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 3h4z_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PAAAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YAAGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSAV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXDPI HYDKITEEIN KAVDEAVAAI EKSETFDPMK DATA SEQUENCE VPDHSDKFER HIGIIDLKGE LDMRNIQVRG LKQMKRVGDA NVKSEDGVVK DATA SEQUENCE AHLLVGVHDD VVSMEYDLAY KLGDLHPNTH VISDIQDFVV ELSLEVSEEG DATA SEQUENCE NMTLTSFEVR QFANVVNHIG GLSILDPIFA VLSDVLTAIF QDTVRAEMTK DATA SEQUENCE VLAPAFKKEL ERNNQ 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.568 176.600 -0.053 0.000 0.988 1 K CA 0.000 56.257 56.287 -0.049 0.000 0.838 1 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 2 I N 2.689 123.219 120.570 -0.068 0.000 2.845 2 I HA -0.051 4.120 4.170 0.001 0.000 0.290 2 I C 1.114 177.199 176.117 -0.054 0.000 1.202 2 I CA 0.217 61.473 61.300 -0.073 0.000 1.406 2 I CB 0.783 38.731 38.000 -0.087 0.000 1.383 2 I HN 0.784 nan 8.210 nan 0.000 0.549 3 E N 7.477 127.649 120.200 -0.047 0.000 2.324 3 E HA 0.028 4.378 4.350 0.001 0.000 0.271 3 E C -0.082 176.498 176.600 -0.033 0.000 1.028 3 E CA -0.362 56.017 56.400 -0.035 0.000 0.890 3 E CB 0.692 30.375 29.700 -0.029 0.000 1.004 3 E HN 0.577 nan 8.360 nan 0.000 0.431 4 E N 2.719 122.904 120.200 -0.026 0.000 2.343 4 E HA 0.284 4.635 4.350 0.001 0.000 0.269 4 E C 0.500 177.091 176.600 -0.014 0.000 1.047 4 E CA 0.518 56.906 56.400 -0.020 0.000 0.874 4 E CB 0.742 30.432 29.700 -0.016 0.000 1.033 4 E HN 0.764 nan 8.360 nan 0.000 0.409 5 G N 3.265 112.061 108.800 -0.007 0.000 2.175 5 G HA2 -0.285 3.675 3.960 0.001 0.000 0.244 5 G HA3 -0.285 3.675 3.960 0.001 0.000 0.244 5 G C 0.087 174.988 174.900 0.001 0.000 0.982 5 G CA 0.598 45.697 45.100 -0.002 0.000 0.641 5 G HN 0.600 nan 8.290 nan 0.000 0.527 6 K N -0.445 119.951 120.400 -0.007 0.000 2.444 6 K HA 0.823 5.144 4.320 0.001 0.000 0.252 6 K C -1.147 175.433 176.600 -0.033 0.000 0.993 6 K CA -1.152 55.128 56.287 -0.012 0.000 0.847 6 K CB 1.290 33.778 32.500 -0.021 0.000 1.340 6 K HN 0.106 nan 8.250 nan 0.000 0.446 7 L N 2.861 124.047 121.223 -0.061 0.000 2.372 7 L HA 0.414 4.754 4.340 0.001 0.000 0.274 7 L C -1.074 175.716 176.870 -0.133 0.000 0.988 7 L CA -1.120 53.643 54.840 -0.128 0.000 0.833 7 L CB 1.990 43.901 42.059 -0.246 0.000 1.236 7 L HN 0.348 nan 8.230 nan 0.000 0.410 8 V N 5.109 124.953 119.914 -0.117 0.000 2.394 8 V HA 0.475 4.595 4.120 0.001 0.000 0.282 8 V C -0.128 175.901 176.094 -0.108 0.000 1.031 8 V CA -0.415 61.832 62.300 -0.088 0.000 0.881 8 V CB 2.220 33.991 31.823 -0.087 0.000 0.982 8 V HN 0.546 nan 8.190 nan 0.000 0.451 9 I N 3.951 124.517 120.570 -0.008 0.000 2.545 9 I HA 0.569 4.739 4.170 0.001 0.000 0.292 9 I C -1.667 174.651 176.117 0.336 0.000 1.040 9 I CA -0.481 60.864 61.300 0.077 0.000 1.068 9 I CB 1.962 39.984 38.000 0.036 0.000 1.251 9 I HN 0.564 nan 8.210 nan 0.000 0.424 10 W N 8.015 129.373 121.300 0.098 0.000 2.573 10 W HA 0.670 5.331 4.660 0.002 0.000 0.326 10 W C -0.513 176.108 176.519 0.169 0.000 1.049 10 W CA -0.905 56.496 57.345 0.093 0.000 1.220 10 W CB 1.393 30.910 29.460 0.095 0.000 1.373 10 W HN 0.262 nan 8.180 nan 0.000 0.507 11 I N 2.610 123.357 120.570 0.295 0.000 2.994 11 I HA 0.325 4.496 4.170 0.001 0.000 0.306 11 I C -0.536 175.695 176.117 0.190 0.000 1.195 11 I CA -0.942 60.491 61.300 0.223 0.000 1.001 11 I CB 2.048 40.017 38.000 -0.053 0.000 1.244 11 I HN 0.273 nan 8.210 nan 0.000 0.437 12 N N 2.746 121.545 118.700 0.165 0.000 2.518 12 N HA 0.218 4.959 4.740 0.001 0.000 0.266 12 N C 0.991 176.506 175.510 0.009 0.000 1.196 12 N CA 0.965 54.066 53.050 0.085 0.000 0.947 12 N CB 1.619 40.036 38.487 -0.117 0.000 1.098 12 N HN 0.726 nan 8.380 nan 0.000 0.450 13 G N 1.349 110.143 108.800 -0.009 0.000 2.527 13 G HA2 -0.250 3.711 3.960 0.001 0.000 0.219 13 G HA3 -0.250 3.711 3.960 0.001 0.000 0.219 13 G C 0.630 175.499 174.900 -0.053 0.000 1.117 13 G CA 1.062 46.129 45.100 -0.054 0.000 0.759 13 G HN 0.842 nan 8.290 nan 0.000 0.556 14 D N -0.844 119.443 120.400 -0.189 0.000 2.339 14 D HA 0.101 4.741 4.640 0.001 0.000 0.217 14 D C 0.819 176.991 176.300 -0.212 0.000 1.050 14 D CA 0.053 53.900 54.000 -0.255 0.000 0.856 14 D CB 0.269 40.740 40.800 -0.549 0.000 0.922 14 D HN -0.022 nan 8.370 nan 0.000 0.518 15 K N 0.141 120.450 120.400 -0.152 0.000 2.139 15 K HA 0.544 4.864 4.320 0.001 0.000 0.243 15 K C 0.808 177.347 176.600 -0.103 0.000 0.983 15 K CA -0.822 55.404 56.287 -0.102 0.000 0.890 15 K CB 1.055 33.492 32.500 -0.105 0.000 1.090 15 K HN 0.022 nan 8.250 nan 0.000 0.445 16 G N 2.022 110.766 108.800 -0.095 0.000 3.003 16 G HA2 0.016 3.977 3.960 0.001 0.000 0.266 16 G HA3 0.016 3.977 3.960 0.001 0.000 0.266 16 G C 0.710 175.527 174.900 -0.138 0.000 0.755 16 G CA -0.014 44.991 45.100 -0.158 0.000 2.061 16 G HN 0.615 nan 8.290 nan 0.000 0.599 17 Y N -0.719 119.527 120.300 -0.089 0.000 2.439 17 Y HA 0.014 4.564 4.550 0.001 0.000 0.292 17 Y C 1.996 177.883 175.900 -0.022 0.000 1.130 17 Y CA 0.327 58.383 58.100 -0.073 0.000 1.254 17 Y CB -0.357 38.072 38.460 -0.052 0.000 1.000 17 Y HN 0.271 nan 8.280 nan 0.000 0.554 18 N N 1.059 119.648 118.700 -0.186 0.000 2.216 18 N HA -0.061 4.680 4.740 0.001 0.000 0.183 18 N C 2.069 177.584 175.510 0.008 0.000 1.017 18 N CA 1.369 54.400 53.050 -0.031 0.000 0.861 18 N CB -0.608 37.786 38.487 -0.154 0.000 0.986 18 N HN 0.611 nan 8.380 nan 0.000 0.428 19 G N 1.195 109.975 108.800 -0.033 0.000 2.394 19 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 19 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 19 G C 1.539 176.465 174.900 0.043 0.000 1.165 19 G CA 0.193 45.298 45.100 0.007 0.000 0.784 19 G HN 0.218 nan 8.290 nan 0.000 0.535 20 L N 1.450 122.695 121.223 0.038 0.000 2.187 20 L HA 0.135 4.475 4.340 0.001 0.000 0.213 20 L C 2.910 179.858 176.870 0.130 0.000 1.100 20 L CA 1.829 56.710 54.840 0.067 0.000 0.765 20 L CB -0.527 41.519 42.059 -0.021 0.000 0.904 20 L HN 0.231 nan 8.230 nan 0.000 0.437 21 A N -1.148 121.741 122.820 0.115 0.000 1.897 21 A HA -0.117 4.203 4.320 0.001 0.000 0.215 21 A C 2.132 179.790 177.584 0.122 0.000 1.181 21 A CA 1.286 53.394 52.037 0.117 0.000 0.620 21 A CB -0.444 18.630 19.000 0.124 0.000 0.821 21 A HN 0.458 nan 8.150 nan 0.000 0.443 22 E N 0.059 120.325 120.200 0.110 0.000 2.077 22 E HA -0.126 4.224 4.350 0.001 0.000 0.193 22 E C 2.170 178.862 176.600 0.152 0.000 0.989 22 E CA 1.345 57.811 56.400 0.109 0.000 0.800 22 E CB -0.627 29.122 29.700 0.082 0.000 0.746 22 E HN 0.377 nan 8.360 nan 0.000 0.452 23 V N 0.783 120.804 119.914 0.177 0.000 2.490 23 V HA -0.185 3.935 4.120 0.001 0.000 0.250 23 V C 2.333 178.661 176.094 0.390 0.000 1.061 23 V CA 1.871 64.319 62.300 0.248 0.000 1.064 23 V CB -0.925 31.011 31.823 0.190 0.000 0.670 23 V HN 0.323 nan 8.190 nan 0.000 0.461 24 G N -0.598 108.406 108.800 0.340 0.000 2.471 24 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 24 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 24 G C 1.655 176.677 174.900 0.203 0.000 1.125 24 G CA 0.405 45.657 45.100 0.254 0.000 0.775 24 G HN 0.471 nan 8.290 nan 0.000 0.548 25 K N 0.093 120.597 120.400 0.174 0.000 2.116 25 K HA 0.044 4.365 4.320 0.001 0.000 0.203 25 K C 2.344 179.032 176.600 0.146 0.000 1.052 25 K CA 0.866 57.231 56.287 0.129 0.000 0.952 25 K CB -0.049 32.512 32.500 0.102 0.000 0.729 25 K HN 0.238 nan 8.250 nan 0.000 0.446 26 K N 0.705 121.229 120.400 0.207 0.000 2.025 26 K HA -0.156 4.165 4.320 0.001 0.000 0.207 26 K C 2.014 178.762 176.600 0.248 0.000 1.049 26 K CA 1.113 57.545 56.287 0.243 0.000 0.933 26 K CB -0.181 32.513 32.500 0.323 0.000 0.714 26 K HN -0.022 nan 8.250 nan 0.000 0.438 27 F N 2.445 122.407 119.950 0.019 0.000 2.120 27 F HA -0.209 4.318 4.527 0.001 0.000 0.300 27 F C 2.189 177.895 175.800 -0.157 0.000 1.095 27 F CA 2.105 59.884 58.000 -0.368 0.000 1.249 27 F CB -0.204 38.602 39.000 -0.324 0.000 0.995 27 F HN 0.226 nan 8.300 nan 0.000 0.480 28 E N 0.302 120.491 120.200 -0.018 0.000 2.208 28 E HA -0.157 4.193 4.350 0.001 0.000 0.193 28 E C 2.215 178.765 176.600 -0.083 0.000 0.988 28 E CA 1.280 57.629 56.400 -0.086 0.000 0.828 28 E CB -0.092 29.615 29.700 0.011 0.000 0.763 28 E HN 0.427 nan 8.360 nan 0.000 0.478 29 K N 0.613 121.002 120.400 -0.018 0.000 2.296 29 K HA -0.075 4.246 4.320 0.001 0.000 0.200 29 K C 1.311 177.902 176.600 -0.016 0.000 1.048 29 K CA 1.522 57.811 56.287 0.002 0.000 0.966 29 K CB -0.170 32.360 32.500 0.050 0.000 0.754 29 K HN 0.160 nan 8.250 nan 0.000 0.466 30 D N -1.353 119.018 120.400 -0.048 0.000 2.380 30 D HA 0.022 4.662 4.640 0.001 0.000 0.212 30 D C 1.133 177.341 176.300 -0.153 0.000 1.021 30 D CA 1.284 55.261 54.000 -0.039 0.000 0.884 30 D CB 0.906 41.773 40.800 0.111 0.000 1.001 30 D HN 0.376 nan 8.370 nan 0.000 0.506 31 T N -1.360 112.987 114.554 -0.346 0.000 2.971 31 T HA 0.313 4.663 4.350 0.001 0.000 0.252 31 T C 1.511 176.051 174.700 -0.266 0.000 1.022 31 T CA 0.538 62.403 62.100 -0.392 0.000 0.980 31 T CB 1.420 69.804 68.868 -0.807 0.000 1.044 31 T HN 0.216 nan 8.240 nan 0.000 0.501 32 G N 2.053 110.721 108.800 -0.219 0.000 2.179 32 G HA2 -0.239 3.722 3.960 0.001 0.000 0.260 32 G HA3 -0.239 3.722 3.960 0.001 0.000 0.260 32 G C 0.143 174.974 174.900 -0.114 0.000 0.977 32 G CA -0.132 44.892 45.100 -0.126 0.000 0.641 32 G HN 0.571 nan 8.290 nan 0.000 0.533 33 I N 1.288 121.754 120.570 -0.174 0.000 2.301 33 I HA 0.279 4.450 4.170 0.001 0.000 0.292 33 I C 0.694 176.813 176.117 0.004 0.000 1.046 33 I CA -0.878 60.379 61.300 -0.073 0.000 1.282 33 I CB 1.174 39.153 38.000 -0.035 0.000 1.409 33 I HN 0.014 nan 8.210 nan 0.000 0.484 34 K N 6.052 126.455 120.400 0.005 0.000 2.382 34 K HA 0.253 4.573 4.320 0.001 0.000 0.275 34 K C -1.038 175.568 176.600 0.010 0.000 1.009 34 K CA 0.103 56.398 56.287 0.014 0.000 0.970 34 K CB 0.745 33.245 32.500 -0.001 0.000 0.934 34 K HN 0.358 nan 8.250 nan 0.000 0.479 35 V N 4.264 124.174 119.914 -0.007 0.000 2.444 35 V HA 0.348 4.469 4.120 0.001 0.000 0.294 35 V C -0.673 175.381 176.094 -0.066 0.000 1.022 35 V CA -0.785 61.455 62.300 -0.100 0.000 0.850 35 V CB 1.895 33.584 31.823 -0.222 0.000 0.992 35 V HN 0.881 nan 8.190 nan 0.000 0.426 36 T N 4.544 119.059 114.554 -0.064 0.000 2.770 36 T HA 0.537 4.888 4.350 0.001 0.000 0.283 36 T C -0.287 174.412 174.700 -0.001 0.000 0.988 36 T CA -0.343 61.746 62.100 -0.018 0.000 0.957 36 T CB 1.515 70.382 68.868 -0.001 0.000 0.930 36 T HN 0.335 nan 8.240 nan 0.000 0.443 37 V N 4.464 124.390 119.914 0.020 0.000 2.427 37 V HA 0.475 4.595 4.120 0.001 0.000 0.286 37 V C 0.075 176.182 176.094 0.022 0.000 1.034 37 V CA -0.647 61.680 62.300 0.046 0.000 0.893 37 V CB 1.277 33.142 31.823 0.069 0.000 0.982 37 V HN 0.850 nan 8.190 nan 0.000 0.452 38 E N 2.844 123.066 120.200 0.037 0.000 2.340 38 E HA 0.511 4.862 4.350 0.001 0.000 0.273 38 E C -1.374 175.087 176.600 -0.232 0.000 0.891 38 E CA -0.806 55.493 56.400 -0.168 0.000 0.757 38 E CB 2.247 31.878 29.700 -0.116 0.000 1.231 38 E HN 1.002 nan 8.360 nan 0.000 0.439 39 H N -0.752 118.088 119.070 -0.383 0.000 2.317 39 H HA 0.392 4.948 4.556 0.001 0.000 0.231 39 H C -2.756 172.360 175.328 -0.354 0.000 1.442 39 H CA -2.331 53.500 56.048 -0.362 0.000 1.336 39 H CB -0.413 29.061 29.762 -0.479 0.000 1.533 39 H HN 0.140 nan 8.280 nan 0.000 0.522 40 P HA -0.012 nan 4.420 nan 0.000 0.271 40 P C -0.040 177.103 177.300 -0.261 0.000 1.238 40 P CA -0.025 62.784 63.100 -0.486 0.000 0.794 40 P CB 0.826 32.025 31.700 -0.836 0.000 0.959 41 D N 1.075 121.350 120.400 -0.208 0.000 2.210 41 D HA 0.099 4.739 4.640 0.001 0.000 0.249 41 D C 0.111 176.344 176.300 -0.112 0.000 1.062 41 D CA -0.273 53.661 54.000 -0.110 0.000 0.891 41 D CB 0.635 41.386 40.800 -0.081 0.000 1.186 41 D HN 0.342 nan 8.370 nan 0.000 0.432 42 K N 0.597 120.962 120.400 -0.058 0.000 3.096 42 K HA -0.225 4.095 4.320 0.001 0.000 0.266 42 K C 1.203 177.732 176.600 -0.117 0.000 1.043 42 K CA 0.088 56.336 56.287 -0.065 0.000 0.758 42 K CB -1.713 30.756 32.500 -0.052 0.000 1.260 42 K HN 0.351 nan 8.250 nan 0.000 0.481 43 L N -0.294 120.854 121.223 -0.124 0.000 2.201 43 L HA -0.097 4.243 4.340 0.001 0.000 0.212 43 L C 2.265 179.059 176.870 -0.127 0.000 1.105 43 L CA 1.799 56.576 54.840 -0.105 0.000 0.775 43 L CB -0.436 41.608 42.059 -0.025 0.000 0.913 43 L HN 0.320 nan 8.230 nan 0.000 0.440 44 E N 0.679 120.605 120.200 -0.457 0.000 2.333 44 E HA -0.235 4.116 4.350 0.001 0.000 0.198 44 E C 1.362 177.903 176.600 -0.099 0.000 1.007 44 E CA 1.636 57.687 56.400 -0.582 0.000 0.845 44 E CB -0.339 28.651 29.700 -1.182 0.000 0.766 44 E HN 0.832 nan 8.360 nan 0.000 0.507 45 E N 0.232 120.388 120.200 -0.074 0.000 2.364 45 E HA 0.063 4.414 4.350 0.001 0.000 0.203 45 E C 1.888 178.420 176.600 -0.113 0.000 0.888 45 E CA -0.033 56.354 56.400 -0.023 0.000 0.989 45 E CB 0.228 29.922 29.700 -0.011 0.000 0.985 45 E HN 0.132 nan 8.360 nan 0.000 0.499 46 K N 0.960 121.317 120.400 -0.072 0.000 2.057 46 K HA -0.173 4.148 4.320 0.001 0.000 0.207 46 K C 2.003 178.654 176.600 0.084 0.000 1.049 46 K CA 1.144 57.402 56.287 -0.048 0.000 0.931 46 K CB -0.159 32.285 32.500 -0.093 0.000 0.714 46 K HN -0.007 nan 8.250 nan 0.000 0.440 47 F N 2.858 122.854 119.950 0.075 0.000 2.026 47 F HA -0.128 4.400 4.527 0.001 0.000 0.296 47 F C -1.249 174.395 175.800 -0.260 0.000 1.133 47 F CA 1.377 59.379 58.000 0.003 0.000 1.188 47 F CB -1.037 37.874 39.000 -0.148 0.000 0.968 47 F HN 0.084 nan 8.300 nan 0.000 0.476 48 P HA -0.200 nan 4.420 nan 0.000 0.223 48 P C 0.935 178.019 177.300 -0.360 0.000 1.144 48 P CA 1.738 64.544 63.100 -0.489 0.000 0.783 48 P CB -0.211 31.428 31.700 -0.102 0.000 0.771 49 Q N -0.166 119.420 119.800 -0.357 0.000 2.061 49 Q HA -0.044 4.297 4.340 0.001 0.000 0.195 49 Q C 2.405 178.252 176.000 -0.256 0.000 0.967 49 Q CA 1.497 57.112 55.803 -0.314 0.000 0.829 49 Q CB -0.522 27.997 28.738 -0.364 0.000 0.900 49 Q HN 0.212 nan 8.270 nan 0.000 0.450 50 V N -1.752 118.013 119.914 -0.248 0.000 2.548 50 V HA 0.024 4.145 4.120 0.001 0.000 0.249 50 V C 2.061 177.950 176.094 -0.341 0.000 1.055 50 V CA 1.554 63.726 62.300 -0.213 0.000 1.065 50 V CB -0.915 30.858 31.823 -0.083 0.000 0.681 50 V HN 0.239 nan 8.190 nan 0.000 0.462 51 A N 0.419 122.882 122.820 -0.594 0.000 2.119 51 A HA 0.336 4.657 4.320 0.001 0.000 0.217 51 A C 2.324 179.649 177.584 -0.432 0.000 1.153 51 A CA 1.578 53.200 52.037 -0.693 0.000 0.692 51 A CB -0.684 17.460 19.000 -1.427 0.000 0.799 51 A HN 0.954 nan 8.150 nan 0.000 0.458 52 A N -0.360 122.253 122.820 -0.344 0.000 2.123 52 A HA 0.081 4.402 4.320 0.001 0.000 0.214 52 A C 2.009 179.498 177.584 -0.157 0.000 1.152 52 A CA 1.650 53.561 52.037 -0.210 0.000 0.728 52 A CB -0.784 18.124 19.000 -0.152 0.000 0.814 52 A HN 0.673 nan 8.150 nan 0.000 0.464 53 T N -4.039 110.414 114.554 -0.168 0.000 3.235 53 T HA 0.407 4.757 4.350 0.001 0.000 0.251 53 T C 1.191 175.817 174.700 -0.123 0.000 1.060 53 T CA 0.847 62.873 62.100 -0.123 0.000 0.949 53 T CB -0.352 68.450 68.868 -0.110 0.000 1.020 53 T HN 1.544 nan 8.240 nan 0.000 0.564 54 G N 0.552 109.264 108.800 -0.147 0.000 2.179 54 G HA2 -0.223 3.738 3.960 0.001 0.000 0.257 54 G HA3 -0.223 3.738 3.960 0.001 0.000 0.257 54 G C -0.215 174.601 174.900 -0.141 0.000 1.010 54 G CA 0.375 45.396 45.100 -0.132 0.000 0.736 54 G HN 0.643 nan 8.290 nan 0.000 0.513 55 D N -0.973 119.319 120.400 -0.180 0.000 2.784 55 D HA 0.671 5.312 4.640 0.001 0.000 0.256 55 D C 0.809 176.951 176.300 -0.263 0.000 1.129 55 D CA 1.009 54.903 54.000 -0.176 0.000 1.102 55 D CB 1.539 42.260 40.800 -0.132 0.000 1.330 55 D HN 1.365 nan 8.370 nan 0.000 0.626 56 G N 0.295 108.936 108.800 -0.266 0.000 2.483 56 G HA2 -0.052 3.908 3.960 0.001 0.000 0.521 56 G HA3 -0.052 3.908 3.960 0.001 0.000 0.521 56 G C -2.839 171.759 174.900 -0.503 0.000 1.278 56 G CA -0.493 44.332 45.100 -0.459 0.000 0.965 56 G HN 0.402 nan 8.290 nan 0.000 0.504 57 P HA 0.396 nan 4.420 nan 0.000 0.278 57 P C -0.141 176.975 177.300 -0.306 0.000 1.266 57 P CA 0.005 62.723 63.100 -0.637 0.000 0.807 57 P CB 1.045 32.066 31.700 -1.133 0.000 1.094 58 D N -0.375 119.901 120.400 -0.206 0.000 2.194 58 D HA 0.077 4.718 4.640 0.001 0.000 0.204 58 D C 0.359 176.614 176.300 -0.074 0.000 0.964 58 D CA 1.254 55.185 54.000 -0.115 0.000 0.846 58 D CB -0.074 40.667 40.800 -0.099 0.000 0.962 58 D HN 0.318 nan 8.370 nan 0.000 0.490 59 I N 0.936 121.462 120.570 -0.075 0.000 2.534 59 I HA 0.321 4.492 4.170 0.001 0.000 0.288 59 I C -1.131 175.017 176.117 0.052 0.000 1.077 59 I CA -0.862 60.445 61.300 0.012 0.000 1.051 59 I CB 2.853 40.926 38.000 0.122 0.000 1.234 59 I HN -0.106 nan 8.210 nan 0.000 0.425 60 I N 5.269 125.815 120.570 -0.039 0.000 2.441 60 I HA 0.517 4.688 4.170 0.001 0.000 0.295 60 I C -1.451 174.813 176.117 0.244 0.000 0.994 60 I CA -0.457 60.843 61.300 0.000 0.000 1.144 60 I CB 1.593 39.184 38.000 -0.681 0.000 1.314 60 I HN 0.343 nan 8.210 nan 0.000 0.445 61 F N 7.391 127.505 119.950 0.272 0.000 2.450 61 F HA 0.632 5.160 4.527 0.001 0.000 0.332 61 F C -0.408 175.697 175.800 0.508 0.000 1.093 61 F CA -0.123 58.082 58.000 0.342 0.000 1.003 61 F CB 1.510 40.645 39.000 0.226 0.000 1.151 61 F HN 0.477 nan 8.300 nan 0.000 0.474 62 W N 1.166 122.626 121.300 0.267 0.000 3.131 62 W HA 0.450 5.111 4.660 0.001 0.000 0.346 62 W C -1.587 174.883 176.519 -0.082 0.000 0.986 62 W CA -1.275 56.159 57.345 0.148 0.000 1.016 62 W CB 0.782 30.418 29.460 0.294 0.000 1.466 62 W HN 0.706 nan 8.180 nan 0.000 0.546 63 A N 2.805 125.412 122.820 -0.356 0.000 2.462 63 A HA 0.130 4.451 4.320 0.001 0.000 0.243 63 A C 1.405 178.917 177.584 -0.120 0.000 1.076 63 A CA 0.921 52.827 52.037 -0.218 0.000 0.773 63 A CB -0.096 18.709 19.000 -0.325 0.000 1.010 63 A HN 0.826 nan 8.150 nan 0.000 0.493 64 H N 2.057 120.954 119.070 -0.288 0.000 2.492 64 H HA -0.198 4.358 4.556 0.001 0.000 0.296 64 H C 1.093 176.364 175.328 -0.095 0.000 1.095 64 H CA 1.634 57.477 56.048 -0.342 0.000 1.281 64 H CB -0.531 29.087 29.762 -0.239 0.000 1.374 64 H HN 0.831 nan 8.280 nan 0.000 0.545 65 D N 1.078 121.087 120.400 -0.650 0.000 2.221 65 D HA -0.184 4.457 4.640 0.001 0.000 0.204 65 D C 1.890 178.123 176.300 -0.113 0.000 0.982 65 D CA 0.619 54.397 54.000 -0.371 0.000 0.857 65 D CB -0.208 40.454 40.800 -0.231 0.000 0.934 65 D HN 0.286 nan 8.370 nan 0.000 0.475 66 R N -0.292 120.191 120.500 -0.028 0.000 2.080 66 R HA 0.021 4.362 4.340 0.001 0.000 0.222 66 R C 2.332 178.318 176.300 -0.524 0.000 1.107 66 R CA 0.232 56.182 56.100 -0.250 0.000 0.980 66 R CB -0.963 29.109 30.300 -0.381 0.000 0.879 66 R HN 0.215 nan 8.270 nan 0.000 0.439 67 F N 1.011 120.598 119.950 -0.606 0.000 2.225 67 F HA -0.154 4.373 4.527 0.001 0.000 0.302 67 F C 2.422 178.001 175.800 -0.369 0.000 1.068 67 F CA 1.297 59.036 58.000 -0.436 0.000 1.327 67 F CB -1.284 37.639 39.000 -0.129 0.000 1.043 67 F HN 0.173 nan 8.300 nan 0.000 0.506 68 G N -0.319 108.337 108.800 -0.239 0.000 2.446 68 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 68 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 68 G C 2.091 176.640 174.900 -0.585 0.000 1.168 68 G CA 0.912 45.656 45.100 -0.593 0.000 0.771 68 G HN 0.523 nan 8.290 nan 0.000 0.551 69 G N -0.615 108.014 108.800 -0.285 0.000 2.421 69 G HA2 -0.085 3.876 3.960 0.001 0.000 0.217 69 G HA3 -0.085 3.876 3.960 0.001 0.000 0.217 69 G C 1.619 176.560 174.900 0.069 0.000 1.143 69 G CA 0.802 45.842 45.100 -0.099 0.000 0.784 69 G HN 0.340 nan 8.290 nan 0.000 0.541 70 Y N 1.437 121.685 120.300 -0.086 0.000 2.097 70 Y HA -0.044 4.506 4.550 0.001 0.000 0.282 70 Y C 3.150 179.025 175.900 -0.041 0.000 1.152 70 Y CA 0.294 58.370 58.100 -0.040 0.000 1.136 70 Y CB -1.269 37.135 38.460 -0.093 0.000 0.975 70 Y HN 0.266 nan 8.280 nan 0.000 0.498 71 A N -0.218 122.655 122.820 0.089 0.000 1.902 71 A HA -0.277 4.044 4.320 0.001 0.000 0.217 71 A C 2.243 179.908 177.584 0.135 0.000 1.181 71 A CA 1.888 53.984 52.037 0.099 0.000 0.623 71 A CB -0.853 18.211 19.000 0.107 0.000 0.818 71 A HN 0.436 nan 8.150 nan 0.000 0.443 72 Q N 0.221 120.066 119.800 0.075 0.000 2.112 72 Q HA -0.135 4.206 4.340 0.001 0.000 0.206 72 Q C 2.023 178.086 176.000 0.105 0.000 0.987 72 Q CA 2.232 58.134 55.803 0.165 0.000 0.858 72 Q CB -0.371 28.429 28.738 0.104 0.000 0.905 72 Q HN 0.551 nan 8.270 nan 0.000 0.420 73 S N -1.210 114.535 115.700 0.074 0.000 2.522 73 S HA 0.162 4.633 4.470 0.001 0.000 0.227 73 S C 1.008 175.625 174.600 0.028 0.000 0.986 73 S CA 0.624 58.848 58.200 0.040 0.000 0.929 73 S CB 0.043 63.258 63.200 0.025 0.000 0.769 73 S HN 0.709 nan 8.310 nan 0.000 0.529 74 G N 1.181 110.013 108.800 0.054 0.000 2.149 74 G HA2 -0.217 3.743 3.960 0.001 0.000 0.235 74 G HA3 -0.217 3.743 3.960 0.001 0.000 0.235 74 G C 0.441 175.349 174.900 0.012 0.000 1.018 74 G CA 0.282 45.406 45.100 0.041 0.000 0.728 74 G HN 0.504 nan 8.290 nan 0.000 0.508 75 L N -1.097 120.135 121.223 0.015 0.000 2.529 75 L HA 0.407 4.747 4.340 0.001 0.000 0.223 75 L C 1.224 178.133 176.870 0.064 0.000 1.113 75 L CA 0.302 55.124 54.840 -0.029 0.000 0.861 75 L CB 0.115 42.100 42.059 -0.124 0.000 1.012 75 L HN 0.210 nan 8.230 nan 0.000 0.461 76 L N 0.484 121.761 121.223 0.090 0.000 2.322 76 L HA 0.580 4.921 4.340 0.001 0.000 0.281 76 L C 0.127 177.049 176.870 0.088 0.000 1.014 76 L CA -0.549 54.347 54.840 0.094 0.000 0.815 76 L CB 1.819 43.936 42.059 0.096 0.000 1.247 76 L HN -0.077 nan 8.230 nan 0.000 0.421 77 A N 2.621 125.489 122.820 0.080 0.000 2.363 77 A HA 0.251 4.572 4.320 0.001 0.000 0.270 77 A C 0.068 177.704 177.584 0.087 0.000 1.121 77 A CA -0.389 51.691 52.037 0.072 0.000 0.800 77 A CB 0.422 19.459 19.000 0.061 0.000 1.052 77 A HN 0.795 nan 8.150 nan 0.000 0.493 78 E N 2.871 123.115 120.200 0.074 0.000 2.415 78 E HA 0.235 4.585 4.350 0.001 0.000 0.260 78 E C 0.180 176.810 176.600 0.051 0.000 1.016 78 E CA -0.332 56.107 56.400 0.066 0.000 0.924 78 E CB 0.121 29.850 29.700 0.048 0.000 0.961 78 E HN 0.571 nan 8.360 nan 0.000 0.459 79 I N 2.065 122.653 120.570 0.031 0.000 2.882 79 I HA 0.223 4.394 4.170 0.001 0.000 0.286 79 I C 0.137 176.232 176.117 -0.035 0.000 1.139 79 I CA -0.447 60.853 61.300 0.000 0.000 1.379 79 I CB 1.180 39.051 38.000 -0.215 0.000 1.410 79 I HN 0.524 nan 8.210 nan 0.000 0.594 80 T N 1.618 116.173 114.554 0.001 0.000 3.504 80 T HA 0.479 4.830 4.350 0.001 0.000 0.286 80 T C -2.388 172.302 174.700 -0.016 0.000 1.530 80 T CA -1.261 60.829 62.100 -0.017 0.000 1.652 80 T CB 0.167 69.040 68.868 0.009 0.000 0.895 80 T HN 0.618 nan 8.240 nan 0.000 0.674 81 P HA 0.559 nan 4.420 nan 0.000 0.290 81 P C 0.113 177.396 177.300 -0.027 0.000 1.276 81 P CA -0.335 62.747 63.100 -0.030 0.000 0.808 81 P CB 1.257 32.959 31.700 0.004 0.000 0.966 82 A N 3.133 125.974 122.820 0.036 0.000 2.448 82 A HA 0.335 4.656 4.320 0.001 0.000 0.239 82 A C 1.736 179.334 177.584 0.023 0.000 1.080 82 A CA 0.388 52.445 52.037 0.034 0.000 0.779 82 A CB -0.414 18.628 19.000 0.069 0.000 1.026 82 A HN 0.614 nan 8.150 nan 0.000 0.499 83 A N 1.267 124.076 122.820 -0.018 0.000 2.024 83 A HA 0.129 4.449 4.320 0.001 0.000 0.220 83 A C 2.267 179.846 177.584 -0.009 0.000 1.164 83 A CA 2.277 54.284 52.037 -0.050 0.000 0.643 83 A CB -0.879 18.095 19.000 -0.045 0.000 0.806 83 A HN 1.672 nan 8.150 nan 0.000 0.451 84 A N -1.471 121.374 122.820 0.042 0.000 1.930 84 A HA 0.043 4.363 4.320 0.001 0.000 0.217 84 A C 1.980 179.625 177.584 0.101 0.000 1.175 84 A CA 1.404 53.477 52.037 0.061 0.000 0.627 84 A CB -0.566 18.477 19.000 0.072 0.000 0.815 84 A HN 0.608 nan 8.150 nan 0.000 0.443 85 F N 0.553 120.516 119.950 0.021 0.000 2.128 85 F HA -0.112 4.415 4.527 0.001 0.000 0.295 85 F C 2.529 178.413 175.800 0.140 0.000 1.100 85 F CA 1.912 59.965 58.000 0.088 0.000 1.260 85 F CB -0.338 38.740 39.000 0.129 0.000 1.009 85 F HN 0.272 nan 8.300 nan 0.000 0.476 86 Q N -0.184 119.699 119.800 0.139 0.000 2.112 86 Q HA -0.296 4.045 4.340 0.001 0.000 0.206 86 Q C 2.044 178.109 176.000 0.109 0.000 0.987 86 Q CA 1.845 57.601 55.803 -0.079 0.000 0.858 86 Q CB -0.629 27.732 28.738 -0.628 0.000 0.905 86 Q HN 0.481 nan 8.270 nan 0.000 0.420 87 D N 1.426 121.828 120.400 0.004 0.000 2.228 87 D HA -0.183 4.457 4.640 0.001 0.000 0.203 87 D C 0.938 177.223 176.300 -0.025 0.000 0.988 87 D CA 1.112 55.116 54.000 0.007 0.000 0.864 87 D CB 0.105 40.899 40.800 -0.010 0.000 0.928 87 D HN 0.377 nan 8.370 nan 0.000 0.469 88 K N -0.349 119.991 120.400 -0.100 0.000 2.504 88 K HA 0.200 4.521 4.320 0.001 0.000 0.199 88 K C -0.171 176.277 176.600 -0.253 0.000 1.028 88 K CA -0.235 55.934 56.287 -0.197 0.000 1.164 88 K CB 0.432 32.775 32.500 -0.263 0.000 0.877 88 K HN -0.013 nan 8.250 nan 0.000 0.508 89 L N 1.275 122.425 121.223 -0.121 0.000 2.431 89 L HA 0.315 4.656 4.340 0.001 0.000 0.266 89 L C -0.933 175.863 176.870 -0.123 0.000 0.978 89 L CA -0.910 53.801 54.840 -0.215 0.000 0.822 89 L CB 1.351 43.265 42.059 -0.242 0.000 1.310 89 L HN 0.008 nan 8.230 nan 0.000 0.409 90 Y N 4.171 124.398 120.300 -0.122 0.000 2.721 90 Y HA -0.004 4.547 4.550 0.001 0.000 0.329 90 Y C -1.346 174.505 175.900 -0.082 0.000 1.211 90 Y CA -1.134 56.932 58.100 -0.056 0.000 1.512 90 Y CB -0.113 38.321 38.460 -0.045 0.000 1.249 90 Y HN 0.534 nan 8.280 nan 0.000 0.549 91 P HA -0.286 nan 4.420 nan 0.000 0.216 91 P C 1.580 179.026 177.300 0.243 0.000 1.157 91 P CA 1.968 65.290 63.100 0.371 0.000 0.880 91 P CB -0.171 31.704 31.700 0.293 0.000 0.791 92 F N -0.025 120.016 119.950 0.150 0.000 2.307 92 F HA -0.156 4.371 4.527 0.001 0.000 0.301 92 F C 1.730 177.535 175.800 0.008 0.000 1.076 92 F CA 1.679 59.720 58.000 0.068 0.000 1.383 92 F CB -2.158 36.855 39.000 0.021 0.000 1.055 92 F HN -0.072 nan 8.300 nan 0.000 0.526 93 T N -4.239 109.749 114.554 -0.943 0.000 3.088 93 T HA -0.076 4.275 4.350 0.001 0.000 0.259 93 T C 1.385 175.772 174.700 -0.522 0.000 1.122 93 T CA 0.628 62.199 62.100 -0.881 0.000 1.095 93 T CB -0.954 67.312 68.868 -1.003 0.000 0.930 93 T HN 0.590 nan 8.240 nan 0.000 0.508 94 W N 1.638 122.824 121.300 -0.190 0.000 2.576 94 W HA 0.238 4.899 4.660 0.002 0.000 0.275 94 W C 2.038 178.523 176.519 -0.056 0.000 1.241 94 W CA -0.124 57.161 57.345 -0.100 0.000 1.328 94 W CB 0.247 29.672 29.460 -0.059 0.000 1.092 94 W HN 0.195 nan 8.180 nan 0.000 0.586 95 D N 0.458 120.969 120.400 0.184 0.000 2.178 95 D HA -0.154 4.487 4.640 0.001 0.000 0.201 95 D C 2.191 178.545 176.300 0.091 0.000 0.980 95 D CA 1.564 55.651 54.000 0.145 0.000 0.842 95 D CB -0.419 40.471 40.800 0.149 0.000 0.948 95 D HN 0.140 nan 8.370 nan 0.000 0.472 96 A N 1.177 123.984 122.820 -0.022 0.000 1.908 96 A HA -0.164 4.157 4.320 0.001 0.000 0.218 96 A C 2.342 179.909 177.584 -0.028 0.000 1.181 96 A CA 1.929 53.866 52.037 -0.167 0.000 0.627 96 A CB -0.600 18.118 19.000 -0.469 0.000 0.818 96 A HN 0.261 nan 8.150 nan 0.000 0.445 97 V N -3.266 116.653 119.914 0.008 0.000 3.596 97 V HA 0.314 4.435 4.120 0.001 0.000 0.289 97 V C 0.734 176.937 176.094 0.181 0.000 1.336 97 V CA 0.064 62.416 62.300 0.087 0.000 1.137 97 V CB -0.857 30.990 31.823 0.041 0.000 0.966 97 V HN 0.402 nan 8.190 nan 0.000 0.428 98 R N 1.010 121.621 120.500 0.186 0.000 2.216 98 R HA 0.353 4.693 4.340 0.001 0.000 0.332 98 R C -1.417 175.034 176.300 0.252 0.000 1.056 98 R CA -0.604 55.612 56.100 0.192 0.000 0.901 98 R CB 0.523 30.913 30.300 0.149 0.000 1.039 98 R HN 0.515 nan 8.270 nan 0.000 0.456 99 Y N 4.671 125.034 120.300 0.105 0.000 2.328 99 Y HA 0.194 4.744 4.550 0.001 0.000 0.336 99 Y C -0.220 175.726 175.900 0.078 0.000 0.960 99 Y CA -1.072 57.088 58.100 0.100 0.000 1.134 99 Y CB 0.962 39.489 38.460 0.112 0.000 1.166 99 Y HN 0.903 nan 8.280 nan 0.000 0.464 100 N N 4.229 122.654 118.700 -0.457 0.000 2.740 100 N HA -0.247 4.494 4.740 0.001 0.000 0.248 100 N C 0.905 176.339 175.510 -0.126 0.000 1.062 100 N CA 0.629 53.466 53.050 -0.355 0.000 0.704 100 N CB -0.920 37.294 38.487 -0.453 0.000 0.968 100 N HN 1.235 nan 8.380 nan 0.000 0.547 101 G N -0.759 108.010 108.800 -0.052 0.000 2.257 101 G HA2 -0.385 3.576 3.960 0.001 0.000 0.267 101 G HA3 -0.385 3.576 3.960 0.001 0.000 0.267 101 G C 0.076 174.981 174.900 0.008 0.000 0.984 101 G CA 1.117 46.210 45.100 -0.012 0.000 0.626 101 G HN 0.467 nan 8.290 nan 0.000 0.540 102 K N 0.146 120.560 120.400 0.023 0.000 2.138 102 K HA 0.625 4.946 4.320 0.001 0.000 0.263 102 K C 0.320 176.974 176.600 0.090 0.000 0.965 102 K CA -0.810 55.504 56.287 0.045 0.000 0.868 102 K CB 1.543 34.076 32.500 0.055 0.000 1.083 102 K HN 0.139 nan 8.250 nan 0.000 0.443 103 L N 4.767 126.025 121.223 0.058 0.000 2.369 103 L HA 0.113 4.454 4.340 0.001 0.000 0.279 103 L C 0.758 177.687 176.870 0.099 0.000 1.108 103 L CA -0.239 54.651 54.840 0.083 0.000 0.852 103 L CB 0.098 42.162 42.059 0.009 0.000 1.169 103 L HN 0.652 nan 8.230 nan 0.000 0.452 104 I N 0.731 121.402 120.570 0.168 0.000 3.914 104 I HA 0.667 4.838 4.170 0.001 0.000 0.333 104 I C 0.377 176.645 176.117 0.251 0.000 1.449 104 I CA -0.317 61.103 61.300 0.201 0.000 1.135 104 I CB 0.115 38.269 38.000 0.257 0.000 1.073 104 I HN 0.464 nan 8.210 nan 0.000 0.401 105 A N -0.503 122.429 122.820 0.186 0.000 2.522 105 A HA 0.619 4.939 4.320 0.001 0.000 0.294 105 A C -2.002 175.632 177.584 0.083 0.000 1.001 105 A CA -0.686 51.486 52.037 0.225 0.000 0.642 105 A CB 0.080 19.317 19.000 0.394 0.000 1.326 105 A HN 0.088 nan 8.150 nan 0.000 0.435 106 Y N 1.278 121.618 120.300 0.067 0.000 2.326 106 Y HA 0.504 5.055 4.550 0.001 0.000 0.337 106 Y C -1.943 173.833 175.900 -0.206 0.000 1.023 106 Y CA -1.932 56.166 58.100 -0.003 0.000 1.143 106 Y CB 1.277 39.765 38.460 0.047 0.000 1.183 106 Y HN 0.438 nan 8.280 nan 0.000 0.485 107 P HA 0.122 nan 4.420 nan 0.000 0.280 107 P C -0.026 177.139 177.300 -0.225 0.000 1.244 107 P CA 0.005 62.907 63.100 -0.330 0.000 0.784 107 P CB 1.790 33.158 31.700 -0.554 0.000 0.913 108 I N 1.459 121.943 120.570 -0.145 0.000 2.962 108 I HA 0.310 4.481 4.170 0.001 0.000 0.246 108 I C 1.101 177.199 176.117 -0.031 0.000 1.091 108 I CA 0.372 61.645 61.300 -0.045 0.000 1.469 108 I CB -1.072 36.964 38.000 0.061 0.000 1.324 108 I HN 0.363 nan 8.210 nan 0.000 0.461 109 A N 0.530 123.339 122.820 -0.018 0.000 2.566 109 A HA 0.609 4.930 4.320 0.001 0.000 0.297 109 A C -1.011 176.593 177.584 0.032 0.000 1.059 109 A CA -0.409 51.642 52.037 0.023 0.000 0.691 109 A CB 1.300 20.343 19.000 0.072 0.000 1.282 109 A HN -0.121 nan 8.150 nan 0.000 0.401 110 V N 2.449 122.406 119.914 0.071 0.000 2.530 110 V HA 0.440 4.561 4.120 0.001 0.000 0.282 110 V C 0.234 176.404 176.094 0.127 0.000 1.048 110 V CA 0.099 62.471 62.300 0.120 0.000 0.997 110 V CB 0.893 32.844 31.823 0.214 0.000 0.987 110 V HN 0.938 nan 8.190 nan 0.000 0.477 111 E N 3.893 124.185 120.200 0.153 0.000 2.256 111 E HA 0.824 5.175 4.350 0.001 0.000 0.268 111 E C -0.978 175.744 176.600 0.203 0.000 0.877 111 E CA -0.984 55.519 56.400 0.171 0.000 0.757 111 E CB 2.456 32.318 29.700 0.271 0.000 1.183 111 E HN 0.691 nan 8.360 nan 0.000 0.418 112 A N 3.772 126.670 122.820 0.130 0.000 2.475 112 A HA 0.545 4.865 4.320 0.001 0.000 0.301 112 A C -0.791 176.807 177.584 0.023 0.000 1.059 112 A CA -0.897 51.211 52.037 0.118 0.000 0.710 112 A CB 1.168 20.228 19.000 0.101 0.000 1.288 112 A HN 0.655 nan 8.150 nan 0.000 0.408 113 L N 1.556 122.766 121.223 -0.023 0.000 2.397 113 L HA 0.456 4.796 4.340 0.001 0.000 0.271 113 L C 0.439 177.285 176.870 -0.039 0.000 1.148 113 L CA 0.121 54.903 54.840 -0.096 0.000 0.825 113 L CB 1.283 43.221 42.059 -0.200 0.000 1.117 113 L HN 0.740 nan 8.230 nan 0.000 0.456 114 S N 2.058 117.744 115.700 -0.023 0.000 2.667 114 S HA 0.558 5.028 4.470 0.001 0.000 0.292 114 S C -1.018 173.568 174.600 -0.023 0.000 1.126 114 S CA -0.647 57.558 58.200 0.007 0.000 0.881 114 S CB 2.124 65.374 63.200 0.083 0.000 1.132 114 S HN 0.374 nan 8.310 nan 0.000 0.492 115 L N 2.221 123.423 121.223 -0.035 0.000 2.305 115 L HA 0.581 4.922 4.340 0.001 0.000 0.281 115 L C -1.284 175.604 176.870 0.030 0.000 1.085 115 L CA 0.203 55.004 54.840 -0.066 0.000 0.813 115 L CB 0.031 42.020 42.059 -0.117 0.000 1.157 115 L HN 0.552 nan 8.230 nan 0.000 0.436 116 I N 6.532 127.081 120.570 -0.035 0.000 2.382 116 I HA 0.322 4.492 4.170 0.001 0.000 0.286 116 I C -1.006 175.158 176.117 0.078 0.000 1.002 116 I CA -0.759 60.526 61.300 -0.027 0.000 1.135 116 I CB 1.009 38.846 38.000 -0.271 0.000 1.288 116 I HN 0.612 nan 8.210 nan 0.000 0.448 117 Y N 4.372 124.757 120.300 0.142 0.000 2.598 117 Y HA 0.525 5.074 4.550 -0.002 0.000 0.340 117 Y C -0.439 175.680 175.900 0.366 0.000 1.038 117 Y CA -1.713 56.546 58.100 0.265 0.000 1.100 117 Y CB 0.675 39.189 38.460 0.090 0.000 1.281 117 Y HN 0.401 nan 8.280 nan 0.000 0.488 118 N N 2.613 121.495 118.700 0.303 0.000 2.469 118 N HA 0.095 4.835 4.740 0.001 0.000 0.239 118 N C 0.512 176.054 175.510 0.052 0.000 1.053 118 N CA -0.108 52.967 53.050 0.042 0.000 0.937 118 N CB 0.745 39.199 38.487 -0.055 0.000 1.163 118 N HN 0.704 nan 8.380 nan 0.000 0.509 119 K N 2.371 122.722 120.400 -0.082 0.000 2.059 119 K HA -0.187 4.133 4.320 0.001 0.000 0.212 119 K C 0.670 177.289 176.600 0.032 0.000 1.050 119 K CA 1.544 57.821 56.287 -0.018 0.000 0.927 119 K CB -0.005 32.429 32.500 -0.110 0.000 0.714 119 K HN 0.590 nan 8.250 nan 0.000 0.447 120 D N 0.623 121.018 120.400 -0.008 0.000 2.097 120 D HA -0.103 4.538 4.640 0.001 0.000 0.197 120 D C 2.126 178.432 176.300 0.010 0.000 0.984 120 D CA 0.852 54.848 54.000 -0.006 0.000 0.826 120 D CB -0.101 40.683 40.800 -0.027 0.000 0.973 120 D HN 0.016 nan 8.370 nan 0.000 0.460 121 L N -0.300 120.931 121.223 0.014 0.000 2.109 121 L HA 0.006 4.346 4.340 0.001 0.000 0.207 121 L C 0.935 177.835 176.870 0.051 0.000 1.086 121 L CA 0.869 55.723 54.840 0.024 0.000 0.760 121 L CB -0.125 41.943 42.059 0.016 0.000 0.910 121 L HN -0.012 nan 8.230 nan 0.000 0.437 122 L N -0.444 120.839 121.223 0.100 0.000 2.481 122 L HA 0.385 4.726 4.340 0.001 0.000 0.255 122 L C -1.962 175.006 176.870 0.164 0.000 1.192 122 L CA -1.408 53.498 54.840 0.110 0.000 0.924 122 L CB 1.059 43.188 42.059 0.118 0.000 1.179 122 L HN -0.136 nan 8.230 nan 0.000 0.491 123 P HA -0.079 nan 4.420 nan 0.000 0.216 123 P C -0.604 176.733 177.300 0.061 0.000 1.153 123 P CA 1.370 64.535 63.100 0.108 0.000 0.858 123 P CB 0.179 31.905 31.700 0.044 0.000 0.789 124 N N -0.448 118.231 118.700 -0.035 0.000 2.564 124 N HA 0.229 4.970 4.740 0.001 0.000 0.248 124 N C -2.647 172.738 175.510 -0.209 0.000 0.986 124 N CA -1.754 51.216 53.050 -0.134 0.000 0.921 124 N CB 0.567 39.001 38.487 -0.088 0.000 1.136 124 N HN 0.123 nan 8.380 nan 0.000 0.509 125 P HA 0.229 nan 4.420 nan 0.000 0.275 125 P C -2.573 174.563 177.300 -0.274 0.000 1.228 125 P CA -1.092 61.771 63.100 -0.395 0.000 0.786 125 P CB 0.320 31.576 31.700 -0.739 0.000 0.927 126 P HA 0.065 nan 4.420 nan 0.000 0.268 126 P C 0.290 177.474 177.300 -0.195 0.000 1.205 126 P CA 0.034 63.032 63.100 -0.169 0.000 0.771 126 P CB 0.710 32.323 31.700 -0.145 0.000 0.858 127 K N 0.383 120.694 120.400 -0.147 0.000 2.374 127 K HA 0.122 4.443 4.320 0.001 0.000 0.196 127 K C 0.944 177.475 176.600 -0.114 0.000 1.023 127 K CA 0.536 56.742 56.287 -0.135 0.000 1.103 127 K CB -0.051 32.389 32.500 -0.100 0.000 0.848 127 K HN 0.667 nan 8.250 nan 0.000 0.528 128 T N -4.595 109.896 114.554 -0.105 0.000 2.903 128 T HA 0.325 4.676 4.350 0.001 0.000 0.299 128 T C 0.262 174.943 174.700 -0.033 0.000 1.093 128 T CA -0.874 61.203 62.100 -0.038 0.000 1.002 128 T CB 0.954 69.829 68.868 0.011 0.000 1.127 128 T HN 0.096 nan 8.240 nan 0.000 0.488 129 W N 0.646 121.927 121.300 -0.032 0.000 2.467 129 W HA 0.140 4.801 4.660 0.001 0.000 0.275 129 W C 2.025 178.647 176.519 0.172 0.000 1.239 129 W CA 0.595 57.934 57.345 -0.010 0.000 1.266 129 W CB -0.088 29.213 29.460 -0.265 0.000 1.112 129 W HN 0.828 nan 8.180 nan 0.000 0.576 130 E N 0.213 120.605 120.200 0.320 0.000 2.152 130 E HA -0.200 4.150 4.350 0.001 0.000 0.192 130 E C 1.727 178.490 176.600 0.271 0.000 0.983 130 E CA 1.458 58.103 56.400 0.409 0.000 0.818 130 E CB -0.496 29.343 29.700 0.232 0.000 0.758 130 E HN 0.426 nan 8.360 nan 0.000 0.467 131 E N 0.729 121.014 120.200 0.141 0.000 2.403 131 E HA -0.006 4.345 4.350 0.001 0.000 0.187 131 E C 1.272 177.891 176.600 0.031 0.000 1.073 131 E CA 0.083 56.521 56.400 0.064 0.000 0.888 131 E CB -0.056 29.653 29.700 0.015 0.000 1.035 131 E HN 0.311 nan 8.360 nan 0.000 0.471 132 I N 0.829 121.443 120.570 0.073 0.000 2.585 132 I HA -0.024 4.147 4.170 0.001 0.000 0.254 132 I C -0.659 175.397 176.117 -0.101 0.000 1.129 132 I CA -0.060 61.244 61.300 0.008 0.000 1.455 132 I CB -0.827 37.215 38.000 0.071 0.000 1.111 132 I HN 0.082 nan 8.210 nan 0.000 0.433 133 P HA -0.148 nan 4.420 nan 0.000 0.216 133 P C 1.504 178.618 177.300 -0.311 0.000 1.150 133 P CA 1.591 64.372 63.100 -0.532 0.000 0.837 133 P CB 0.049 31.581 31.700 -0.279 0.000 0.786 134 A N -0.564 122.192 122.820 -0.107 0.000 1.898 134 A HA -0.154 4.166 4.320 0.001 0.000 0.216 134 A C 2.078 179.638 177.584 -0.040 0.000 1.181 134 A CA 1.315 53.327 52.037 -0.041 0.000 0.620 134 A CB -1.641 17.354 19.000 -0.007 0.000 0.819 134 A HN 0.160 nan 8.150 nan 0.000 0.442 135 L N 0.276 121.470 121.223 -0.049 0.000 2.201 135 L HA -0.117 4.223 4.340 0.001 0.000 0.212 135 L C 1.720 178.576 176.870 -0.023 0.000 1.105 135 L CA 2.543 57.364 54.840 -0.031 0.000 0.775 135 L CB -0.627 41.411 42.059 -0.034 0.000 0.913 135 L HN 0.488 nan 8.230 nan 0.000 0.440 136 D N -0.900 119.466 120.400 -0.056 0.000 2.183 136 D HA -0.175 4.465 4.640 0.001 0.000 0.203 136 D C 2.063 178.394 176.300 0.051 0.000 0.969 136 D CA 1.166 55.164 54.000 -0.003 0.000 0.842 136 D CB 0.129 40.906 40.800 -0.038 0.000 0.957 136 D HN 0.323 nan 8.370 nan 0.000 0.484 137 K N 0.265 120.690 120.400 0.042 0.000 2.009 137 K HA -0.158 4.162 4.320 0.001 0.000 0.210 137 K C 2.196 178.821 176.600 0.042 0.000 1.049 137 K CA 1.274 57.600 56.287 0.065 0.000 0.929 137 K CB -0.130 32.404 32.500 0.056 0.000 0.714 137 K HN 0.270 nan 8.250 nan 0.000 0.440 138 E N 0.951 121.166 120.200 0.025 0.000 2.023 138 E HA -0.202 4.149 4.350 0.001 0.000 0.196 138 E C 2.152 178.766 176.600 0.022 0.000 1.003 138 E CA 1.288 57.700 56.400 0.019 0.000 0.809 138 E CB -0.199 29.507 29.700 0.011 0.000 0.755 138 E HN 0.211 nan 8.360 nan 0.000 0.449 139 L N 0.708 121.946 121.223 0.025 0.000 2.079 139 L HA -0.220 4.121 4.340 0.001 0.000 0.210 139 L C 2.474 179.363 176.870 0.032 0.000 1.081 139 L CA 1.035 55.892 54.840 0.028 0.000 0.752 139 L CB -0.323 41.756 42.059 0.034 0.000 0.896 139 L HN 0.002 nan 8.230 nan 0.000 0.433 140 K N 0.385 120.810 120.400 0.042 0.000 2.097 140 K HA -0.103 4.218 4.320 0.001 0.000 0.206 140 K C 2.059 178.676 176.600 0.030 0.000 1.049 140 K CA 1.334 57.646 56.287 0.042 0.000 0.933 140 K CB -0.516 32.018 32.500 0.057 0.000 0.717 140 K HN 0.274 nan 8.250 nan 0.000 0.442 141 A N 0.343 123.179 122.820 0.027 0.000 2.178 141 A HA -0.132 4.188 4.320 0.001 0.000 0.218 141 A C 1.114 178.707 177.584 0.015 0.000 1.157 141 A CA 1.399 53.447 52.037 0.020 0.000 0.689 141 A CB -0.189 18.822 19.000 0.018 0.000 0.787 141 A HN 0.225 nan 8.150 nan 0.000 0.465 142 K N -1.448 118.961 120.400 0.016 0.000 2.618 142 K HA 0.332 4.653 4.320 0.001 0.000 0.207 142 K C 0.774 177.381 176.600 0.011 0.000 1.058 142 K CA 0.279 56.573 56.287 0.011 0.000 1.086 142 K CB 0.267 32.773 32.500 0.009 0.000 0.827 142 K HN 0.461 nan 8.250 nan 0.000 0.481 143 G N 1.769 110.578 108.800 0.014 0.000 2.187 143 G HA2 -0.289 3.671 3.960 0.001 0.000 0.261 143 G HA3 -0.289 3.671 3.960 0.001 0.000 0.261 143 G C 0.179 175.089 174.900 0.016 0.000 1.000 143 G CA 0.749 45.858 45.100 0.014 0.000 0.718 143 G HN 0.128 nan 8.290 nan 0.000 0.519 144 K N -0.518 119.895 120.400 0.021 0.000 2.450 144 K HA 0.839 5.160 4.320 0.001 0.000 0.248 144 K C 0.179 176.804 176.600 0.041 0.000 1.056 144 K CA -0.327 55.975 56.287 0.026 0.000 0.974 144 K CB 1.342 33.856 32.500 0.022 0.000 1.334 144 K HN 0.238 nan 8.250 nan 0.000 0.516 145 S N -1.574 114.158 115.700 0.053 0.000 2.595 145 S HA 0.620 5.091 4.470 0.001 0.000 0.281 145 S C 0.042 174.691 174.600 0.081 0.000 1.117 145 S CA -0.066 58.178 58.200 0.073 0.000 0.873 145 S CB 1.613 64.860 63.200 0.079 0.000 1.108 145 S HN 0.521 nan 8.310 nan 0.000 0.477 146 A N 1.666 124.538 122.820 0.087 0.000 1.887 146 A HA 0.543 4.864 4.320 0.001 0.000 0.210 146 A C 0.134 177.778 177.584 0.100 0.000 1.221 146 A CA 0.635 52.716 52.037 0.074 0.000 0.635 146 A CB -0.281 18.742 19.000 0.037 0.000 0.881 146 A HN 0.733 nan 8.150 nan 0.000 0.456 147 L N -0.922 120.380 121.223 0.131 0.000 2.455 147 L HA 0.727 5.068 4.340 0.001 0.000 0.264 147 L C -1.327 175.676 176.870 0.222 0.000 0.968 147 L CA -0.172 54.773 54.840 0.176 0.000 0.827 147 L CB 1.889 44.057 42.059 0.180 0.000 1.317 147 L HN 0.336 nan 8.230 nan 0.000 0.407 148 M N 6.232 125.977 119.600 0.242 0.000 2.182 148 M HA 0.487 4.967 4.480 0.001 0.000 0.266 148 M C -1.700 174.734 176.300 0.224 0.000 0.989 148 M CA -0.335 55.072 55.300 0.178 0.000 1.003 148 M CB 1.698 34.364 32.600 0.110 0.000 1.812 148 M HN 0.538 nan 8.290 nan 0.000 0.472 149 F N 0.575 120.516 119.950 -0.014 0.000 2.626 149 F HA 0.621 5.148 4.527 -0.001 0.000 0.311 149 F C -0.529 175.188 175.800 -0.138 0.000 1.088 149 F CA -1.479 56.474 58.000 -0.079 0.000 0.949 149 F CB 0.773 39.797 39.000 0.040 0.000 1.322 149 F HN 0.477 nan 8.300 nan 0.000 0.461 150 N N 1.788 120.295 118.700 -0.322 0.000 2.374 150 N HA 0.055 4.796 4.740 0.001 0.000 0.269 150 N C -0.101 175.214 175.510 -0.326 0.000 1.310 150 N CA 0.326 53.109 53.050 -0.444 0.000 0.877 150 N CB 0.352 38.355 38.487 -0.805 0.000 1.096 150 N HN 0.811 nan 8.380 nan 0.000 0.484 151 L N 2.237 123.293 121.223 -0.279 0.000 2.728 151 L HA 0.167 4.508 4.340 0.001 0.000 0.238 151 L C 1.196 178.035 176.870 -0.051 0.000 1.143 151 L CA -0.095 54.630 54.840 -0.192 0.000 0.937 151 L CB 0.142 42.040 42.059 -0.268 0.000 1.225 151 L HN 0.509 nan 8.230 nan 0.000 0.507 152 Q N -0.110 119.674 119.800 -0.027 0.000 2.402 152 Q HA 0.167 4.508 4.340 0.001 0.000 0.206 152 Q C 0.147 176.199 176.000 0.087 0.000 0.919 152 Q CA 0.605 56.421 55.803 0.021 0.000 0.923 152 Q CB 0.718 29.467 28.738 0.017 0.000 1.048 152 Q HN 0.283 nan 8.270 nan 0.000 0.515 153 E N 1.485 121.790 120.200 0.175 0.000 2.165 153 E HA 0.178 4.529 4.350 0.001 0.000 0.266 153 E C -1.853 174.974 176.600 0.379 0.000 0.889 153 E CA -2.021 54.550 56.400 0.285 0.000 0.756 153 E CB 2.007 31.987 29.700 0.467 0.000 1.131 153 E HN -0.098 nan 8.360 nan 0.000 0.411 154 P HA -0.183 nan 4.420 nan 0.000 0.225 154 P C 1.244 178.826 177.300 0.471 0.000 1.148 154 P CA 0.819 64.126 63.100 0.345 0.000 0.779 154 P CB 0.173 32.057 31.700 0.306 0.000 0.780 155 Y N 0.625 121.021 120.300 0.161 0.000 2.256 155 Y HA -0.180 4.370 4.550 0.001 0.000 0.288 155 Y C 1.837 177.833 175.900 0.159 0.000 1.155 155 Y CA 1.516 59.636 58.100 0.033 0.000 1.203 155 Y CB -0.988 37.297 38.460 -0.291 0.000 0.980 155 Y HN -0.219 nan 8.280 nan 0.000 0.530 156 F N -0.813 119.296 119.950 0.265 0.000 2.416 156 F HA -0.028 4.501 4.527 0.003 0.000 0.296 156 F C 2.542 178.532 175.800 0.316 0.000 1.099 156 F CA 1.400 59.547 58.000 0.245 0.000 1.427 156 F CB -0.883 38.397 39.000 0.468 0.000 1.079 156 F HN 0.083 nan 8.300 nan 0.000 0.536 157 T N -3.232 111.651 114.554 0.549 0.000 3.044 157 T HA -0.161 4.190 4.350 0.001 0.000 0.255 157 T C 1.916 176.743 174.700 0.212 0.000 1.073 157 T CA 0.148 62.484 62.100 0.393 0.000 1.125 157 T CB -0.850 68.212 68.868 0.323 0.000 0.908 157 T HN 0.513 nan 8.240 nan 0.000 0.480 158 W N 3.164 124.562 121.300 0.163 0.000 2.308 158 W HA -0.100 4.560 4.660 0.001 0.000 0.301 158 W C -1.742 174.788 176.519 0.018 0.000 1.220 158 W CA 1.282 58.712 57.345 0.142 0.000 1.240 158 W CB -1.337 28.339 29.460 0.360 0.000 1.142 158 W HN 0.303 nan 8.180 nan 0.000 0.521 159 P HA -0.236 nan 4.420 nan 0.000 0.216 159 P C 1.820 178.952 177.300 -0.281 0.000 1.150 159 P CA 1.946 64.963 63.100 -0.138 0.000 0.843 159 P CB -0.445 31.254 31.700 -0.003 0.000 0.787 160 L N -1.141 119.873 121.223 -0.349 0.000 2.095 160 L HA 0.006 4.346 4.340 0.001 0.000 0.204 160 L C 2.117 178.628 176.870 -0.598 0.000 1.080 160 L CA 1.480 55.957 54.840 -0.605 0.000 0.759 160 L CB -1.011 40.435 42.059 -1.022 0.000 0.914 160 L HN -0.151 nan 8.230 nan 0.000 0.439 161 I N -0.062 120.176 120.570 -0.552 0.000 2.335 161 I HA -0.268 3.903 4.170 0.001 0.000 0.251 161 I C 2.404 178.130 176.117 -0.652 0.000 1.129 161 I CA 1.183 62.162 61.300 -0.535 0.000 1.402 161 I CB -0.601 37.133 38.000 -0.443 0.000 1.069 161 I HN 0.378 nan 8.210 nan 0.000 0.424 162 A N 0.480 122.754 122.820 -0.910 0.000 2.030 162 A HA 0.162 4.482 4.320 0.001 0.000 0.215 162 A C 2.566 179.946 177.584 -0.341 0.000 1.164 162 A CA 0.954 52.540 52.037 -0.751 0.000 0.697 162 A CB -0.501 17.908 19.000 -0.985 0.000 0.827 162 A HN 0.350 nan 8.150 nan 0.000 0.457 163 A N 0.635 123.288 122.820 -0.279 0.000 1.909 163 A HA -0.355 3.965 4.320 0.001 0.000 0.221 163 A C 1.814 179.389 177.584 -0.015 0.000 1.223 163 A CA 2.625 54.608 52.037 -0.091 0.000 0.658 163 A CB -0.822 18.171 19.000 -0.011 0.000 0.831 163 A HN 0.514 nan 8.150 nan 0.000 0.462 164 D N -3.210 117.213 120.400 0.038 0.000 2.347 164 D HA 0.278 4.919 4.640 0.001 0.000 0.213 164 D C 1.120 177.410 176.300 -0.015 0.000 0.985 164 D CA 1.523 55.536 54.000 0.021 0.000 0.879 164 D CB 0.146 40.996 40.800 0.084 0.000 0.919 164 D HN 0.532 nan 8.370 nan 0.000 0.526 165 G N -1.400 107.378 108.800 -0.038 0.000 3.987 165 G HA2 0.041 4.001 3.960 0.001 0.000 0.220 165 G HA3 0.041 4.001 3.960 0.001 0.000 0.220 165 G C 0.684 175.593 174.900 0.015 0.000 0.871 165 G CA -0.112 44.993 45.100 0.009 0.000 0.881 165 G HN 0.440 nan 8.290 nan 0.000 0.674 166 G N 0.417 109.140 108.800 -0.130 0.000 2.491 166 G HA2 0.596 4.557 3.960 0.001 0.000 0.238 166 G HA3 0.596 4.557 3.960 0.001 0.000 0.238 166 G C -0.304 174.600 174.900 0.006 0.000 1.277 166 G CA 0.718 45.699 45.100 -0.198 0.000 0.851 166 G HN 1.450 nan 8.290 nan 0.000 0.573 167 Y N -1.913 118.523 120.300 0.226 0.000 2.624 167 Y HA 0.691 5.242 4.550 0.001 0.000 0.334 167 Y C 0.493 176.577 175.900 0.307 0.000 1.155 167 Y CA -0.857 57.468 58.100 0.374 0.000 1.046 167 Y CB 0.641 39.202 38.460 0.168 0.000 1.316 167 Y HN 0.721 nan 8.280 nan 0.000 0.457 168 A N 1.561 124.500 122.820 0.199 0.000 1.838 168 A HA 0.391 4.712 4.320 0.001 0.000 0.215 168 A C -0.397 176.840 177.584 -0.579 0.000 1.273 168 A CA 1.079 52.666 52.037 -0.750 0.000 0.602 168 A CB -0.432 17.585 19.000 -1.639 0.000 0.934 168 A HN 0.548 nan 8.150 nan 0.000 0.461 169 F N -0.839 119.176 119.950 0.108 0.000 2.507 169 F HA 0.539 5.067 4.527 0.001 0.000 0.325 169 F C 0.008 176.004 175.800 0.327 0.000 1.116 169 F CA -1.199 56.942 58.000 0.234 0.000 0.930 169 F CB 1.654 40.710 39.000 0.094 0.000 1.146 169 F HN 0.014 nan 8.300 nan 0.000 0.447 170 K N 2.485 123.133 120.400 0.412 0.000 2.412 170 K HA 0.044 4.365 4.320 0.001 0.000 0.284 170 K C -1.337 175.402 176.600 0.231 0.000 1.046 170 K CA 0.133 56.484 56.287 0.107 0.000 0.999 170 K CB -0.179 32.363 32.500 0.070 0.000 0.941 170 K HN 0.519 nan 8.250 nan 0.000 0.474 171 Y N 3.403 123.701 120.300 -0.003 0.000 2.365 171 Y HA 0.466 5.017 4.550 0.001 0.000 0.340 171 Y C -0.664 175.137 175.900 -0.165 0.000 1.016 171 Y CA -0.654 57.312 58.100 -0.224 0.000 1.196 171 Y CB 0.661 38.910 38.460 -0.352 0.000 1.167 171 Y HN 0.629 nan 8.280 nan 0.000 0.509 172 A N 5.036 127.513 122.820 -0.571 0.000 2.359 172 A HA 0.683 5.004 4.320 0.001 0.000 0.303 172 A C 0.070 177.330 177.584 -0.540 0.000 1.066 172 A CA -0.543 51.236 52.037 -0.431 0.000 0.730 172 A CB 0.419 19.297 19.000 -0.203 0.000 1.211 172 A HN 1.840 nan 8.150 nan 0.000 0.439 173 A N 1.729 124.289 122.820 -0.434 0.000 2.103 173 A HA 0.296 4.617 4.320 0.001 0.000 0.269 173 A C 1.751 179.097 177.584 -0.396 0.000 1.346 173 A CA 1.509 53.352 52.037 -0.324 0.000 0.755 173 A CB -1.586 17.302 19.000 -0.188 0.000 1.146 173 A HN 3.043 nan 8.150 nan 0.000 0.330 174 G N -1.797 106.639 108.800 -0.607 0.000 2.350 174 G HA2 0.416 4.377 3.960 0.001 0.000 0.298 174 G HA3 0.416 4.377 3.960 0.001 0.000 0.298 174 G C 0.274 174.963 174.900 -0.352 0.000 1.037 174 G CA 1.632 46.504 45.100 -0.379 0.000 1.074 174 G HN 3.003 nan 8.290 nan 0.000 0.511 175 K N -1.021 118.964 120.400 -0.691 0.000 2.622 175 K HA 0.596 4.917 4.320 0.001 0.000 0.263 175 K C -0.902 175.541 176.600 -0.261 0.000 0.947 175 K CA -0.729 55.394 56.287 -0.273 0.000 0.885 175 K CB 0.558 32.957 32.500 -0.168 0.000 1.362 175 K HN 0.787 nan 8.250 nan 0.000 0.413 176 Y N 2.365 122.749 120.300 0.140 0.000 2.535 176 Y HA 0.230 4.781 4.550 0.001 0.000 0.349 176 Y C 0.761 176.685 175.900 0.040 0.000 0.992 176 Y CA -0.573 57.624 58.100 0.161 0.000 1.248 176 Y CB 1.359 39.900 38.460 0.135 0.000 1.124 176 Y HN 0.759 nan 8.280 nan 0.000 0.520 177 D N 5.323 125.839 120.400 0.193 0.000 2.359 177 D HA -0.049 4.592 4.640 0.001 0.000 0.273 177 D C 1.296 177.709 176.300 0.189 0.000 1.362 177 D CA 0.203 54.287 54.000 0.139 0.000 1.010 177 D CB 0.429 41.304 40.800 0.124 0.000 1.090 177 D HN 0.753 nan 8.370 nan 0.000 0.521 178 I N 0.737 121.337 120.570 0.050 0.000 3.164 178 I HA -0.136 4.034 4.170 0.001 0.000 0.278 178 I C 1.218 177.445 176.117 0.184 0.000 1.320 178 I CA 0.470 61.751 61.300 -0.031 0.000 1.422 178 I CB -0.034 37.871 38.000 -0.158 0.000 1.066 178 I HN -0.016 nan 8.210 nan 0.000 0.503 179 K N 0.682 121.191 120.400 0.182 0.000 2.335 179 K HA 0.101 4.421 4.320 0.001 0.000 0.195 179 K C 0.213 176.939 176.600 0.210 0.000 1.058 179 K CA 0.408 56.799 56.287 0.173 0.000 0.988 179 K CB -0.075 32.493 32.500 0.113 0.000 0.880 179 K HN 0.271 nan 8.250 nan 0.000 0.513 180 D N 2.056 122.609 120.400 0.254 0.000 2.494 180 D HA 0.114 4.755 4.640 0.001 0.000 0.217 180 D C -0.501 176.031 176.300 0.386 0.000 1.153 180 D CA -0.191 53.975 54.000 0.277 0.000 0.954 180 D CB 0.148 41.097 40.800 0.248 0.000 1.034 180 D HN -0.288 nan 8.370 nan 0.000 0.518 181 V N 1.640 121.713 119.914 0.265 0.000 3.170 181 V HA 0.730 4.851 4.120 0.001 0.000 0.309 181 V C 1.363 177.410 176.094 -0.077 0.000 1.071 181 V CA -0.521 61.854 62.300 0.125 0.000 1.063 181 V CB 1.845 33.701 31.823 0.055 0.000 1.123 181 V HN 0.615 nan 8.190 nan 0.000 0.464 182 G N 0.124 108.650 108.800 -0.456 0.000 4.831 182 G HA2 0.400 4.361 3.960 0.001 0.000 0.231 182 G HA3 0.400 4.361 3.960 0.001 0.000 0.231 182 G C 0.095 174.705 174.900 -0.483 0.000 1.006 182 G CA 0.473 44.965 45.100 -1.013 0.000 0.792 182 G HN 0.799 nan 8.290 nan 0.000 0.546 183 V N -2.461 117.356 119.914 -0.162 0.000 3.661 183 V HA 0.228 4.349 4.120 0.001 0.000 0.271 183 V C 0.879 176.947 176.094 -0.042 0.000 1.315 183 V CA 1.026 63.323 62.300 -0.005 0.000 1.072 183 V CB 0.698 32.579 31.823 0.097 0.000 0.830 183 V HN 0.298 nan 8.190 nan 0.000 0.443 184 D N 1.334 121.694 120.400 -0.067 0.000 2.670 184 D HA 0.117 4.757 4.640 0.001 0.000 0.255 184 D C 0.172 176.442 176.300 -0.050 0.000 1.286 184 D CA -0.265 53.707 54.000 -0.046 0.000 0.830 184 D CB -0.622 40.160 40.800 -0.029 0.000 1.065 184 D HN 0.674 nan 8.370 nan 0.000 0.486 185 N N -0.464 118.190 118.700 -0.077 0.000 2.458 185 N HA 0.403 5.144 4.740 0.001 0.000 0.271 185 N C 1.407 176.897 175.510 -0.033 0.000 1.210 185 N CA -0.135 52.883 53.050 -0.053 0.000 0.978 185 N CB 0.838 39.282 38.487 -0.070 0.000 1.206 185 N HN -0.111 nan 8.380 nan 0.000 0.536 186 A N 0.300 123.112 122.820 -0.012 0.000 1.884 186 A HA -0.134 4.187 4.320 0.001 0.000 0.219 186 A C 2.072 179.653 177.584 -0.004 0.000 1.197 186 A CA 2.302 54.337 52.037 -0.004 0.000 0.637 186 A CB -1.941 17.059 19.000 0.001 0.000 0.827 186 A HN 0.849 nan 8.150 nan 0.000 0.450 187 G N -1.147 107.647 108.800 -0.009 0.000 2.450 187 G HA2 0.021 3.982 3.960 0.001 0.000 0.220 187 G HA3 0.021 3.982 3.960 0.001 0.000 0.220 187 G C 1.623 176.503 174.900 -0.034 0.000 1.130 187 G CA 1.497 46.591 45.100 -0.010 0.000 0.760 187 G HN 0.881 nan 8.290 nan 0.000 0.557 188 A N 0.651 123.429 122.820 -0.069 0.000 1.903 188 A HA 0.164 4.485 4.320 0.001 0.000 0.213 188 A C 2.279 179.822 177.584 -0.068 0.000 1.185 188 A CA 1.538 53.511 52.037 -0.107 0.000 0.628 188 A CB -0.205 18.732 19.000 -0.106 0.000 0.830 188 A HN 0.321 nan 8.150 nan 0.000 0.446 189 K N 0.108 120.489 120.400 -0.032 0.000 2.097 189 K HA -0.094 4.227 4.320 0.001 0.000 0.206 189 K C 2.302 178.912 176.600 0.017 0.000 1.049 189 K CA 1.090 57.369 56.287 -0.012 0.000 0.933 189 K CB -0.360 32.139 32.500 -0.002 0.000 0.717 189 K HN 0.426 nan 8.250 nan 0.000 0.442 190 A N 1.552 124.407 122.820 0.058 0.000 1.873 190 A HA -0.159 4.161 4.320 0.001 0.000 0.218 190 A C 2.451 180.114 177.584 0.132 0.000 1.193 190 A CA 2.203 54.342 52.037 0.170 0.000 0.629 190 A CB -1.445 17.704 19.000 0.248 0.000 0.826 190 A HN 0.436 nan 8.150 nan 0.000 0.447 191 G N -0.356 108.415 108.800 -0.048 0.000 2.480 191 G HA2 -0.171 3.789 3.960 0.001 0.000 0.216 191 G HA3 -0.171 3.789 3.960 0.001 0.000 0.216 191 G C 1.495 176.233 174.900 -0.269 0.000 1.200 191 G CA 1.258 46.103 45.100 -0.426 0.000 0.782 191 G HN 0.527 nan 8.290 nan 0.000 0.554 192 L N 1.029 122.157 121.223 -0.158 0.000 2.042 192 L HA -0.055 4.285 4.340 0.001 0.000 0.210 192 L C 2.894 179.732 176.870 -0.054 0.000 1.076 192 L CA 2.681 57.462 54.840 -0.098 0.000 0.749 192 L CB -1.077 40.944 42.059 -0.063 0.000 0.893 192 L HN 0.226 nan 8.230 nan 0.000 0.432 193 T N -0.778 113.767 114.554 -0.016 0.000 2.788 193 T HA -0.207 4.144 4.350 0.001 0.000 0.268 193 T C 1.608 176.323 174.700 0.026 0.000 1.044 193 T CA 1.704 63.812 62.100 0.013 0.000 1.139 193 T CB -0.509 68.388 68.868 0.049 0.000 0.867 193 T HN 0.370 nan 8.240 nan 0.000 0.454 194 F N 1.621 121.503 119.950 -0.113 0.000 2.051 194 F HA -0.057 4.471 4.527 0.001 0.000 0.296 194 F C 2.057 177.785 175.800 -0.121 0.000 1.122 194 F CA 0.906 58.834 58.000 -0.119 0.000 1.201 194 F CB -0.622 38.185 39.000 -0.320 0.000 0.978 194 F HN 0.024 nan 8.300 nan 0.000 0.472 195 L N 0.059 121.264 121.223 -0.030 0.000 2.043 195 L HA -0.210 4.130 4.340 0.001 0.000 0.212 195 L C 2.143 178.971 176.870 -0.070 0.000 1.075 195 L CA 1.751 56.559 54.840 -0.054 0.000 0.752 195 L CB -0.962 41.058 42.059 -0.065 0.000 0.891 195 L HN 0.098 nan 8.230 nan 0.000 0.432 196 V N -0.411 119.459 119.914 -0.072 0.000 2.427 196 V HA -0.246 3.875 4.120 0.001 0.000 0.248 196 V C 2.223 178.265 176.094 -0.087 0.000 1.051 196 V CA 1.818 64.079 62.300 -0.066 0.000 1.048 196 V CB -0.837 30.956 31.823 -0.050 0.000 0.666 196 V HN 0.453 nan 8.190 nan 0.000 0.456 197 D N 0.184 120.507 120.400 -0.130 0.000 2.178 197 D HA -0.112 4.528 4.640 0.001 0.000 0.201 197 D C 2.134 178.353 176.300 -0.136 0.000 0.980 197 D CA 1.077 54.989 54.000 -0.146 0.000 0.842 197 D CB -0.108 40.570 40.800 -0.204 0.000 0.948 197 D HN 0.352 nan 8.370 nan 0.000 0.472 198 L N 0.401 121.532 121.223 -0.153 0.000 2.131 198 L HA -0.112 4.228 4.340 0.001 0.000 0.210 198 L C 2.396 179.263 176.870 -0.004 0.000 1.092 198 L CA 0.700 55.536 54.840 -0.007 0.000 0.759 198 L CB -0.187 41.897 42.059 0.043 0.000 0.903 198 L HN 0.033 nan 8.230 nan 0.000 0.435 199 I N -0.802 119.742 120.570 -0.044 0.000 2.480 199 I HA -0.190 3.981 4.170 0.001 0.000 0.251 199 I C 2.359 178.428 176.117 -0.079 0.000 1.124 199 I CA 0.880 62.147 61.300 -0.054 0.000 1.444 199 I CB -0.224 37.745 38.000 -0.053 0.000 1.098 199 I HN 0.134 nan 8.210 nan 0.000 0.428 200 K N 0.955 121.306 120.400 -0.081 0.000 2.097 200 K HA -0.083 4.237 4.320 0.001 0.000 0.206 200 K C 1.071 177.601 176.600 -0.118 0.000 1.049 200 K CA 1.059 57.297 56.287 -0.082 0.000 0.933 200 K CB -0.144 32.315 32.500 -0.068 0.000 0.717 200 K HN 0.279 nan 8.250 nan 0.000 0.442 201 N N 1.205 119.805 118.700 -0.167 0.000 2.362 201 N HA 0.017 4.758 4.740 0.001 0.000 0.204 201 N C -0.623 174.582 175.510 -0.509 0.000 1.166 201 N CA 0.279 53.147 53.050 -0.303 0.000 0.831 201 N CB 0.526 38.841 38.487 -0.286 0.000 1.008 201 N HN 0.088 nan 8.380 nan 0.000 0.472 202 K N -0.135 120.095 120.400 -0.283 0.000 3.016 202 K HA -0.203 4.118 4.320 0.001 0.000 0.262 202 K C 0.015 176.497 176.600 -0.197 0.000 1.043 202 K CA 0.520 56.682 56.287 -0.208 0.000 0.761 202 K CB -1.185 31.219 32.500 -0.160 0.000 1.230 202 K HN 0.437 nan 8.250 nan 0.000 0.485 203 H N -0.803 118.265 119.070 -0.004 0.000 2.548 203 H HA 0.156 4.711 4.556 -0.002 0.000 0.265 203 H C 0.955 176.303 175.328 0.033 0.000 0.969 203 H CA 1.353 57.413 56.048 0.020 0.000 1.155 203 H CB 0.119 29.898 29.762 0.027 0.000 1.394 203 H HN 0.516 nan 8.280 nan 0.000 0.570 204 M N -1.384 118.271 119.600 0.092 0.000 2.694 204 M HA 0.315 4.795 4.480 0.001 0.000 0.276 204 M C -1.641 174.650 176.300 -0.014 0.000 1.167 204 M CA -0.851 54.475 55.300 0.044 0.000 0.849 204 M CB 2.343 34.979 32.600 0.059 0.000 1.705 204 M HN -0.285 nan 8.290 nan 0.000 0.504 205 N N 0.644 119.322 118.700 -0.037 0.000 2.443 205 N HA 0.626 5.367 4.740 0.001 0.000 0.295 205 N C 0.404 175.869 175.510 -0.075 0.000 1.076 205 N CA 0.485 53.505 53.050 -0.049 0.000 0.919 205 N CB 2.201 40.666 38.487 -0.037 0.000 1.176 205 N HN 0.869 nan 8.380 nan 0.000 0.487 206 A N 2.852 125.633 122.820 -0.065 0.000 1.930 206 A HA -0.117 4.203 4.320 0.001 0.000 0.217 206 A C 1.356 178.900 177.584 -0.067 0.000 1.175 206 A CA 1.295 53.290 52.037 -0.071 0.000 0.627 206 A CB -0.218 18.751 19.000 -0.052 0.000 0.815 206 A HN 0.773 nan 8.150 nan 0.000 0.443 207 D N 0.194 120.565 120.400 -0.049 0.000 2.263 207 D HA -0.047 4.594 4.640 0.001 0.000 0.208 207 D C 0.294 176.566 176.300 -0.048 0.000 0.971 207 D CA 0.827 54.805 54.000 -0.037 0.000 0.867 207 D CB -0.605 40.182 40.800 -0.022 0.000 0.929 207 D HN 0.283 nan 8.370 nan 0.000 0.492 208 T N 2.390 116.901 114.554 -0.071 0.000 2.849 208 T HA 0.055 4.405 4.350 0.001 0.000 0.289 208 T C 0.249 174.888 174.700 -0.102 0.000 1.010 208 T CA 0.335 62.381 62.100 -0.090 0.000 1.161 208 T CB 0.439 69.226 68.868 -0.135 0.000 0.989 208 T HN 0.269 nan 8.240 nan 0.000 0.523 209 D N 1.306 121.665 120.400 -0.069 0.000 2.689 209 D HA 0.229 4.869 4.640 0.001 0.000 0.255 209 D C 0.946 177.216 176.300 -0.050 0.000 1.113 209 D CA -0.932 53.040 54.000 -0.047 0.000 1.115 209 D CB 0.058 40.865 40.800 0.013 0.000 1.334 209 D HN 0.315 nan 8.370 nan 0.000 0.621 210 Y N 0.444 120.673 120.300 -0.118 0.000 2.097 210 Y HA -0.221 4.331 4.550 0.004 0.000 0.282 210 Y C 2.578 178.465 175.900 -0.022 0.000 1.152 210 Y CA 3.205 61.243 58.100 -0.103 0.000 1.136 210 Y CB -0.410 38.022 38.460 -0.046 0.000 0.975 210 Y HN 0.451 nan 8.280 nan 0.000 0.498 211 S N -0.291 115.537 115.700 0.214 0.000 2.382 211 S HA -0.203 4.268 4.470 0.001 0.000 0.228 211 S C 2.008 176.633 174.600 0.042 0.000 1.027 211 S CA 1.585 59.873 58.200 0.146 0.000 0.991 211 S CB -1.054 62.231 63.200 0.141 0.000 0.823 211 S HN 0.538 nan 8.310 nan 0.000 0.469 212 I N 2.111 122.690 120.570 0.015 0.000 2.252 212 I HA -0.097 4.073 4.170 0.001 0.000 0.245 212 I C 3.073 179.180 176.117 -0.016 0.000 1.102 212 I CA 1.078 62.379 61.300 0.000 0.000 1.385 212 I CB -0.633 37.362 38.000 -0.009 0.000 1.064 212 I HN 0.435 nan 8.210 nan 0.000 0.414 213 A N 0.403 123.185 122.820 -0.064 0.000 1.873 213 A HA -0.256 4.065 4.320 0.001 0.000 0.215 213 A C 2.302 179.863 177.584 -0.038 0.000 1.186 213 A CA 1.869 53.867 52.037 -0.065 0.000 0.616 213 A CB -0.626 18.288 19.000 -0.144 0.000 0.823 213 A HN 0.485 nan 8.150 nan 0.000 0.442 214 E N -0.052 120.078 120.200 -0.116 0.000 2.051 214 E HA -0.130 4.220 4.350 0.001 0.000 0.192 214 E C 2.113 178.745 176.600 0.055 0.000 0.991 214 E CA 1.172 57.539 56.400 -0.055 0.000 0.799 214 E CB -0.287 29.352 29.700 -0.102 0.000 0.748 214 E HN 0.512 nan 8.360 nan 0.000 0.449 215 A N 1.273 124.117 122.820 0.040 0.000 1.877 215 A HA -0.113 4.208 4.320 0.001 0.000 0.216 215 A C 2.447 180.059 177.584 0.046 0.000 1.186 215 A CA 1.976 54.040 52.037 0.045 0.000 0.620 215 A CB -0.979 18.043 19.000 0.036 0.000 0.822 215 A HN 0.439 nan 8.150 nan 0.000 0.443 216 A N -1.188 121.665 122.820 0.055 0.000 1.883 216 A HA -0.076 4.245 4.320 0.001 0.000 0.217 216 A C 2.094 179.723 177.584 0.076 0.000 1.186 216 A CA 1.747 53.819 52.037 0.057 0.000 0.624 216 A CB -0.790 18.249 19.000 0.065 0.000 0.822 216 A HN 0.667 nan 8.150 nan 0.000 0.444 217 F N 1.548 121.487 119.950 -0.019 0.000 2.075 217 F HA -0.191 4.340 4.527 0.006 0.000 0.297 217 F C 1.776 177.559 175.800 -0.028 0.000 1.113 217 F CA 2.193 60.181 58.000 -0.019 0.000 1.218 217 F CB -0.360 38.622 39.000 -0.029 0.000 0.984 217 F HN 0.244 nan 8.300 nan 0.000 0.472 218 N N 0.266 118.978 118.700 0.021 0.000 2.520 218 N HA -0.132 4.608 4.740 0.001 0.000 0.185 218 N C 1.521 176.966 175.510 -0.109 0.000 1.068 218 N CA 0.810 53.815 53.050 -0.075 0.000 0.911 218 N CB -0.353 38.153 38.487 0.033 0.000 0.961 218 N HN 0.377 nan 8.380 nan 0.000 0.446 219 K N -0.208 120.142 120.400 -0.084 0.000 2.379 219 K HA 0.065 4.386 4.320 0.001 0.000 0.194 219 K C 0.627 177.168 176.600 -0.098 0.000 1.031 219 K CA 0.574 56.822 56.287 -0.065 0.000 1.037 219 K CB 0.192 32.676 32.500 -0.026 0.000 0.824 219 K HN 0.170 nan 8.250 nan 0.000 0.516 220 G N 1.186 109.882 108.800 -0.173 0.000 2.176 220 G HA2 -0.272 3.688 3.960 0.001 0.000 0.253 220 G HA3 -0.272 3.688 3.960 0.001 0.000 0.253 220 G C 0.497 175.333 174.900 -0.108 0.000 0.979 220 G CA 0.547 45.539 45.100 -0.179 0.000 0.641 220 G HN 0.492 nan 8.290 nan 0.000 0.530 221 E N -0.370 119.791 120.200 -0.065 0.000 2.047 221 E HA 0.025 4.376 4.350 0.001 0.000 0.191 221 E C 1.378 177.986 176.600 0.013 0.000 0.987 221 E CA 1.287 57.678 56.400 -0.015 0.000 0.799 221 E CB 0.040 29.744 29.700 0.005 0.000 0.752 221 E HN 0.390 nan 8.360 nan 0.000 0.449 222 T N -1.369 113.213 114.554 0.046 0.000 2.902 222 T HA 0.440 4.790 4.350 0.001 0.000 0.283 222 T C 0.566 175.354 174.700 0.146 0.000 1.009 222 T CA -0.034 62.136 62.100 0.117 0.000 1.051 222 T CB 1.685 70.664 68.868 0.185 0.000 0.999 222 T HN 0.070 nan 8.240 nan 0.000 0.474 223 A N 4.430 127.347 122.820 0.161 0.000 1.975 223 A HA 0.391 4.712 4.320 0.001 0.000 0.215 223 A C 0.898 178.712 177.584 0.384 0.000 1.170 223 A CA 0.692 52.842 52.037 0.189 0.000 0.656 223 A CB -0.126 18.948 19.000 0.123 0.000 0.821 223 A HN 0.757 nan 8.150 nan 0.000 0.449 224 M N -1.932 117.867 119.600 0.332 0.000 2.619 224 M HA 0.530 5.010 4.480 0.001 0.000 0.297 224 M C -0.596 175.747 176.300 0.072 0.000 1.229 224 M CA -0.314 55.124 55.300 0.230 0.000 0.860 224 M CB 2.512 35.155 32.600 0.072 0.000 1.741 224 M HN 0.090 nan 8.290 nan 0.000 0.462 225 T N 0.849 115.279 114.554 -0.206 0.000 2.769 225 T HA 0.724 5.075 4.350 0.001 0.000 0.306 225 T C -2.090 172.482 174.700 -0.213 0.000 1.400 225 T CA -0.574 61.388 62.100 -0.230 0.000 1.007 225 T CB 1.422 69.972 68.868 -0.529 0.000 1.392 225 T HN 0.592 nan 8.240 nan 0.000 0.500 226 I N 3.749 124.273 120.570 -0.077 0.000 2.439 226 I HA 0.531 4.702 4.170 0.001 0.000 0.285 226 I C -0.201 176.011 176.117 0.159 0.000 1.021 226 I CA -0.766 60.510 61.300 -0.041 0.000 1.091 226 I CB 1.598 39.501 38.000 -0.163 0.000 1.242 226 I HN 0.495 nan 8.210 nan 0.000 0.439 227 N N 3.049 121.784 118.700 0.057 0.000 3.039 227 N HA 0.559 5.300 4.740 0.001 0.000 0.257 227 N C -0.837 174.524 175.510 -0.248 0.000 1.497 227 N CA -0.345 52.761 53.050 0.094 0.000 0.861 227 N CB 2.586 41.077 38.487 0.007 0.000 1.479 227 N HN 0.620 nan 8.380 nan 0.000 0.547 228 G N 0.071 108.359 108.800 -0.853 0.000 2.521 228 G HA2 0.451 4.412 3.960 0.001 0.000 0.323 228 G HA3 0.451 4.412 3.960 0.001 0.000 0.323 228 G C -1.884 172.032 174.900 -1.641 0.000 1.211 228 G CA -1.110 43.068 45.100 -1.537 0.000 0.979 228 G HN 0.321 nan 8.290 nan 0.000 0.490 229 P HA -0.161 nan 4.420 nan 0.000 0.217 229 P C 1.448 177.902 177.300 -1.410 0.000 1.151 229 P CA 1.987 63.854 63.100 -2.056 0.000 0.849 229 P CB -0.024 30.935 31.700 -1.234 0.000 0.787 230 W N 0.094 121.084 121.300 -0.517 0.000 2.350 230 W HA -0.086 4.574 4.660 0.001 0.000 0.289 230 W C 2.042 178.469 176.519 -0.154 0.000 1.215 230 W CA 1.073 58.262 57.345 -0.260 0.000 1.236 230 W CB -2.022 27.353 29.460 -0.141 0.000 1.130 230 W HN -0.139 nan 8.180 nan 0.000 0.541 231 A N 0.457 123.016 122.820 -0.435 0.000 2.121 231 A HA -0.084 4.237 4.320 0.001 0.000 0.218 231 A C 1.625 179.245 177.584 0.060 0.000 1.154 231 A CA 1.256 53.257 52.037 -0.060 0.000 0.679 231 A CB -1.282 17.634 19.000 -0.138 0.000 0.795 231 A HN 0.468 nan 8.150 nan 0.000 0.458 232 W N 0.589 121.830 121.300 -0.098 0.000 2.342 232 W HA -0.098 4.561 4.660 -0.000 0.000 0.297 232 W C 2.505 178.995 176.519 -0.048 0.000 1.213 232 W CA 0.635 57.925 57.345 -0.091 0.000 1.251 232 W CB -1.657 27.836 29.460 0.055 0.000 1.136 232 W HN 0.324 nan 8.180 nan 0.000 0.526 233 S N 0.863 116.696 115.700 0.223 0.000 2.359 233 S HA -0.228 4.243 4.470 0.001 0.000 0.223 233 S C 1.674 176.331 174.600 0.095 0.000 1.039 233 S CA 1.830 60.119 58.200 0.148 0.000 1.042 233 S CB -0.608 62.655 63.200 0.105 0.000 0.915 233 S HN 0.267 nan 8.310 nan 0.000 0.439 234 N N 1.317 120.067 118.700 0.083 0.000 2.223 234 N HA 0.020 4.761 4.740 0.001 0.000 0.185 234 N C 1.611 177.134 175.510 0.022 0.000 1.016 234 N CA 0.896 53.982 53.050 0.061 0.000 0.863 234 N CB -0.418 38.120 38.487 0.086 0.000 0.983 234 N HN 0.453 nan 8.380 nan 0.000 0.429 235 I N 0.626 121.173 120.570 -0.039 0.000 2.439 235 I HA -0.166 4.005 4.170 0.001 0.000 0.251 235 I C 1.483 177.545 176.117 -0.091 0.000 1.139 235 I CA 0.797 61.996 61.300 -0.168 0.000 1.438 235 I CB -0.199 37.456 38.000 -0.575 0.000 1.085 235 I HN -0.098 nan 8.210 nan 0.000 0.427 236 D N 1.054 121.466 120.400 0.021 0.000 2.104 236 D HA -0.161 4.480 4.640 0.001 0.000 0.194 236 D C 2.179 178.535 176.300 0.093 0.000 0.994 236 D CA 2.134 56.227 54.000 0.157 0.000 0.830 236 D CB -0.326 40.578 40.800 0.174 0.000 0.959 236 D HN 0.355 nan 8.370 nan 0.000 0.452 237 T N -1.653 112.938 114.554 0.061 0.000 3.148 237 T HA 0.077 4.427 4.350 0.001 0.000 0.253 237 T C 1.121 175.838 174.700 0.028 0.000 1.134 237 T CA 0.161 62.288 62.100 0.044 0.000 1.051 237 T CB -0.147 68.745 68.868 0.041 0.000 0.959 237 T HN 0.089 nan 8.240 nan 0.000 0.525 238 S N 0.719 116.431 115.700 0.019 0.000 2.566 238 S HA 0.755 5.225 4.470 0.001 0.000 0.277 238 S C 1.499 176.099 174.600 -0.001 0.000 1.150 238 S CA -0.352 57.848 58.200 -0.001 0.000 1.032 238 S CB 0.754 63.939 63.200 -0.026 0.000 1.157 238 S HN 0.318 nan 8.310 nan 0.000 0.507 239 A N -0.458 122.348 122.820 -0.023 0.000 2.229 239 A HA 0.503 4.823 4.320 0.001 0.000 0.211 239 A C 0.549 178.112 177.584 -0.035 0.000 1.193 239 A CA -0.153 51.870 52.037 -0.022 0.000 0.879 239 A CB -0.444 18.538 19.000 -0.030 0.000 0.911 239 A HN 0.596 nan 8.150 nan 0.000 0.492 240 V N 2.533 122.406 119.914 -0.068 0.000 2.599 240 V HA -0.027 4.093 4.120 0.001 0.000 0.300 240 V C 0.324 176.424 176.094 0.010 0.000 1.034 240 V CA -0.041 62.196 62.300 -0.105 0.000 1.115 240 V CB 0.248 31.905 31.823 -0.277 0.000 0.934 240 V HN 0.498 nan 8.190 nan 0.000 0.485 241 N N 4.172 122.861 118.700 -0.019 0.000 2.420 241 N HA 0.285 5.025 4.740 0.001 0.000 0.249 241 N C -0.939 174.564 175.510 -0.012 0.000 1.033 241 N CA -0.266 52.777 53.050 -0.012 0.000 0.944 241 N CB 0.935 39.385 38.487 -0.061 0.000 1.113 241 N HN 0.711 nan 8.380 nan 0.000 0.502 242 Y N 0.862 121.058 120.300 -0.173 0.000 2.630 242 Y HA 0.865 5.415 4.550 -0.001 0.000 0.337 242 Y C -0.119 175.550 175.900 -0.384 0.000 1.051 242 Y CA -1.283 56.678 58.100 -0.232 0.000 1.121 242 Y CB 0.848 39.288 38.460 -0.033 0.000 1.299 242 Y HN 0.291 nan 8.280 nan 0.000 0.498 243 G N 0.073 108.494 108.800 -0.632 0.000 2.660 243 G HA2 0.592 4.552 3.960 0.001 0.000 0.294 243 G HA3 0.592 4.552 3.960 0.001 0.000 0.294 243 G C -2.272 172.414 174.900 -0.357 0.000 1.369 243 G CA -1.094 43.579 45.100 -0.712 0.000 0.912 243 G HN 0.687 nan 8.290 nan 0.000 0.479 244 V N 0.227 120.037 119.914 -0.173 0.000 2.540 244 V HA 0.836 4.957 4.120 0.001 0.000 0.302 244 V C 0.239 176.382 176.094 0.081 0.000 1.035 244 V CA -0.430 61.857 62.300 -0.022 0.000 0.873 244 V CB 1.387 33.106 31.823 -0.173 0.000 0.992 244 V HN 1.006 nan 8.190 nan 0.000 0.428 245 T N 2.435 117.063 114.554 0.123 0.000 2.681 245 T HA 0.554 4.904 4.350 0.001 0.000 0.296 245 T C -0.852 173.844 174.700 -0.006 0.000 1.157 245 T CA -0.347 61.785 62.100 0.053 0.000 1.025 245 T CB 1.845 70.733 68.868 0.033 0.000 1.441 245 T HN 0.356 nan 8.240 nan 0.000 0.504 246 V N 3.060 122.950 119.914 -0.040 0.000 2.673 246 V HA 0.217 4.338 4.120 0.001 0.000 0.303 246 V C 0.817 176.858 176.094 -0.088 0.000 1.046 246 V CA -0.074 62.195 62.300 -0.052 0.000 1.126 246 V CB -0.058 31.731 31.823 -0.056 0.000 0.934 246 V HN 0.641 nan 8.190 nan 0.000 0.487 247 L N 6.199 127.377 121.223 -0.076 0.000 2.482 247 L HA 0.209 4.550 4.340 0.001 0.000 0.273 247 L C -1.987 174.794 176.870 -0.148 0.000 1.228 247 L CA -1.286 53.482 54.840 -0.119 0.000 0.827 247 L CB 0.073 42.106 42.059 -0.044 0.000 1.099 247 L HN 0.467 nan 8.230 nan 0.000 0.494 248 P HA 0.046 nan 4.420 nan 0.000 0.269 248 P C -0.619 176.670 177.300 -0.018 0.000 1.209 248 P CA -0.305 62.600 63.100 -0.325 0.000 0.776 248 P CB 0.509 31.689 31.700 -0.866 0.000 0.876 249 T N -0.727 113.850 114.554 0.039 0.000 2.918 249 T HA 0.569 4.919 4.350 0.001 0.000 0.283 249 T C -0.844 174.019 174.700 0.272 0.000 1.001 249 T CA -0.436 61.741 62.100 0.127 0.000 1.041 249 T CB 0.368 69.254 68.868 0.031 0.000 1.028 249 T HN 0.161 nan 8.240 nan 0.000 0.511 250 F N 1.761 121.715 119.950 0.008 0.000 2.499 250 F HA 0.486 5.013 4.527 0.001 0.000 0.333 250 F C 0.275 176.002 175.800 -0.122 0.000 1.138 250 F CA -1.455 56.481 58.000 -0.107 0.000 0.945 250 F CB 1.050 39.908 39.000 -0.237 0.000 1.181 250 F HN 0.906 nan 8.300 nan 0.000 0.435 251 K N 4.605 124.639 120.400 -0.610 0.000 3.148 251 K HA -0.184 4.136 4.320 0.001 0.000 0.267 251 K C 0.925 177.368 176.600 -0.262 0.000 0.996 251 K CA 0.773 56.741 56.287 -0.532 0.000 0.737 251 K CB -1.653 30.385 32.500 -0.771 0.000 1.308 251 K HN 1.396 nan 8.250 nan 0.000 0.470 252 G N -0.174 108.532 108.800 -0.157 0.000 2.196 252 G HA2 -0.370 3.591 3.960 0.001 0.000 0.268 252 G HA3 -0.370 3.591 3.960 0.001 0.000 0.268 252 G C -0.064 174.794 174.900 -0.071 0.000 0.975 252 G CA 1.041 46.085 45.100 -0.094 0.000 0.648 252 G HN 0.495 nan 8.290 nan 0.000 0.538 253 Q N 0.677 120.434 119.800 -0.070 0.000 2.309 253 Q HA 0.494 4.834 4.340 0.001 0.000 0.264 253 Q C -2.362 173.646 176.000 0.014 0.000 1.008 253 Q CA -2.146 53.636 55.803 -0.034 0.000 0.853 253 Q CB 2.769 31.479 28.738 -0.048 0.000 1.314 253 Q HN 0.245 nan 8.270 nan 0.000 0.448 254 P HA 0.011 nan 4.420 nan 0.000 0.272 254 P C -0.751 176.569 177.300 0.033 0.000 1.223 254 P CA -0.187 62.927 63.100 0.023 0.000 0.784 254 P CB 0.931 32.631 31.700 0.000 0.000 0.923 255 S N 1.795 117.532 115.700 0.061 0.000 2.531 255 S HA 0.105 4.576 4.470 0.001 0.000 0.279 255 S C 0.419 175.012 174.600 -0.013 0.000 1.305 255 S CA -0.267 57.958 58.200 0.042 0.000 1.058 255 S CB -0.142 63.147 63.200 0.147 0.000 0.899 255 S HN 0.276 nan 8.310 nan 0.000 0.493 256 K N 4.135 124.487 120.400 -0.081 0.000 2.385 256 K HA 0.246 4.566 4.320 0.001 0.000 0.229 256 K C -2.499 174.084 176.600 -0.029 0.000 1.089 256 K CA -1.704 54.545 56.287 -0.064 0.000 1.060 256 K CB 0.522 32.964 32.500 -0.098 0.000 1.698 256 K HN 0.417 nan 8.250 nan 0.000 0.469 257 P HA 0.001 nan 4.420 nan 0.000 0.271 257 P C -0.580 176.893 177.300 0.289 0.000 1.218 257 P CA -0.282 62.911 63.100 0.154 0.000 0.780 257 P CB 0.570 32.300 31.700 0.051 0.000 0.901 258 F N 1.699 121.905 119.950 0.426 0.000 2.471 258 F HA 0.085 4.612 4.527 0.001 0.000 0.365 258 F C 0.524 176.532 175.800 0.347 0.000 1.095 258 F CA -0.268 57.966 58.000 0.391 0.000 1.174 258 F CB 0.268 39.524 39.000 0.426 0.000 1.105 258 F HN -0.012 nan 8.300 nan 0.000 0.535 259 V N 4.482 124.722 119.914 0.542 0.000 2.498 259 V HA 0.615 4.736 4.120 0.001 0.000 0.279 259 V C 0.590 176.939 176.094 0.426 0.000 1.048 259 V CA -0.497 62.041 62.300 0.397 0.000 0.967 259 V CB 0.810 32.800 31.823 0.279 0.000 0.988 259 V HN 0.853 nan 8.190 nan 0.000 0.473 260 G N 2.940 111.961 108.800 0.370 0.000 2.481 260 G HA2 0.636 4.597 3.960 0.001 0.000 0.315 260 G HA3 0.636 4.597 3.960 0.001 0.000 0.315 260 G C -1.331 173.728 174.900 0.265 0.000 1.231 260 G CA -0.586 44.738 45.100 0.372 0.000 0.968 260 G HN 0.541 nan 8.290 nan 0.000 0.482 261 V N 2.104 122.212 119.914 0.324 0.000 2.357 261 V HA 0.255 4.375 4.120 0.001 0.000 0.284 261 V C -0.009 176.075 176.094 -0.018 0.000 1.018 261 V CA -0.785 61.540 62.300 0.042 0.000 0.841 261 V CB 1.231 32.926 31.823 -0.214 0.000 0.991 261 V HN 0.696 nan 8.190 nan 0.000 0.437 262 L N 5.834 127.026 121.223 -0.052 0.000 2.562 262 L HA 0.290 4.631 4.340 0.001 0.000 0.271 262 L C 0.378 177.160 176.870 -0.146 0.000 1.167 262 L CA 1.262 56.050 54.840 -0.087 0.000 0.917 262 L CB 0.223 42.280 42.059 -0.004 0.000 1.187 262 L HN 0.727 nan 8.230 nan 0.000 0.482 263 S N 3.519 119.052 115.700 -0.277 0.000 2.600 263 S HA 0.896 5.366 4.470 0.001 0.000 0.300 263 S C -0.577 173.767 174.600 -0.426 0.000 1.087 263 S CA -0.384 57.578 58.200 -0.396 0.000 0.965 263 S CB 1.822 64.626 63.200 -0.660 0.000 1.089 263 S HN 0.888 nan 8.310 nan 0.000 0.496 264 A N 1.306 123.898 122.820 -0.380 0.000 2.291 264 A HA 0.774 5.095 4.320 0.001 0.000 0.311 264 A C 0.178 177.808 177.584 0.076 0.000 1.224 264 A CA -0.598 51.124 52.037 -0.525 0.000 0.821 264 A CB 0.493 19.016 19.000 -0.795 0.000 1.172 264 A HN 0.879 nan 8.150 nan 0.000 0.494 265 G N 1.018 109.950 108.800 0.220 0.000 2.454 265 G HA2 0.601 4.562 3.960 0.001 0.000 0.329 265 G HA3 0.601 4.562 3.960 0.001 0.000 0.329 265 G C -0.690 174.245 174.900 0.060 0.000 1.177 265 G CA -0.649 44.587 45.100 0.227 0.000 0.951 265 G HN 0.672 nan 8.290 nan 0.000 0.485 266 I N 1.658 122.284 120.570 0.094 0.000 2.339 266 I HA 0.145 4.315 4.170 0.001 0.000 0.290 266 I C -0.015 176.132 176.117 0.050 0.000 0.994 266 I CA -0.968 60.371 61.300 0.064 0.000 1.191 266 I CB 1.586 39.647 38.000 0.102 0.000 1.343 266 I HN 0.338 nan 8.210 nan 0.000 0.458 267 N N 4.684 123.408 118.700 0.039 0.000 2.411 267 N HA 0.022 4.763 4.740 0.001 0.000 0.261 267 N C 0.894 176.417 175.510 0.022 0.000 1.248 267 N CA 0.439 53.532 53.050 0.071 0.000 0.885 267 N CB 1.487 39.991 38.487 0.029 0.000 1.062 267 N HN 0.797 nan 8.380 nan 0.000 0.471 268 A N 4.397 127.228 122.820 0.018 0.000 1.908 268 A HA -0.103 4.218 4.320 0.001 0.000 0.218 268 A C 1.670 179.241 177.584 -0.023 0.000 1.181 268 A CA 1.869 53.908 52.037 0.002 0.000 0.627 268 A CB -0.795 18.204 19.000 -0.001 0.000 0.818 268 A HN 0.778 nan 8.150 nan 0.000 0.445 269 A N -0.393 122.395 122.820 -0.054 0.000 2.268 269 A HA 0.409 4.730 4.320 0.001 0.000 0.221 269 A C 0.984 178.532 177.584 -0.059 0.000 1.287 269 A CA 0.632 52.630 52.037 -0.064 0.000 0.902 269 A CB -0.723 18.220 19.000 -0.095 0.000 0.877 269 A HN 0.388 nan 8.150 nan 0.000 0.487 270 S N 0.784 116.458 115.700 -0.043 0.000 2.499 270 S HA 0.468 4.939 4.470 0.001 0.000 0.279 270 S C -1.581 173.004 174.600 -0.026 0.000 1.219 270 S CA -1.304 56.872 58.200 -0.041 0.000 1.062 270 S CB 1.093 64.273 63.200 -0.034 0.000 0.978 270 S HN 0.312 nan 8.310 nan 0.000 0.489 271 P HA 0.211 nan 4.420 nan 0.000 0.261 271 P C -0.447 176.848 177.300 -0.008 0.000 1.268 271 P CA 0.041 63.131 63.100 -0.016 0.000 0.833 271 P CB 0.096 31.783 31.700 -0.021 0.000 1.231 272 N N 0.599 119.294 118.700 -0.010 0.000 2.541 272 N HA 0.134 4.875 4.740 0.001 0.000 0.297 272 N C 0.866 176.381 175.510 0.009 0.000 1.503 272 N CA -0.225 52.825 53.050 0.001 0.000 0.919 272 N CB 0.659 39.141 38.487 -0.009 0.000 1.305 272 N HN 0.176 nan 8.380 nan 0.000 0.501 273 K N 0.393 120.803 120.400 0.016 0.000 2.211 273 K HA -0.031 4.290 4.320 0.001 0.000 0.203 273 K C 1.269 177.894 176.600 0.041 0.000 1.050 273 K CA 0.792 57.097 56.287 0.030 0.000 0.945 273 K CB 0.419 32.939 32.500 0.035 0.000 0.732 273 K HN 0.122 nan 8.250 nan 0.000 0.451 274 E N 0.939 121.164 120.200 0.041 0.000 2.112 274 E HA -0.046 4.305 4.350 0.001 0.000 0.190 274 E C 2.039 178.683 176.600 0.073 0.000 0.979 274 E CA 0.709 57.140 56.400 0.053 0.000 0.814 274 E CB 0.034 29.764 29.700 0.050 0.000 0.762 274 E HN 0.283 nan 8.360 nan 0.000 0.460 275 L N 0.314 121.586 121.223 0.081 0.000 2.201 275 L HA -0.088 4.253 4.340 0.001 0.000 0.212 275 L C 2.450 179.346 176.870 0.044 0.000 1.105 275 L CA 0.873 55.797 54.840 0.141 0.000 0.775 275 L CB -0.427 41.718 42.059 0.144 0.000 0.913 275 L HN 0.037 nan 8.230 nan 0.000 0.440 276 A N 0.306 123.128 122.820 0.003 0.000 1.897 276 A HA -0.220 4.100 4.320 0.001 0.000 0.215 276 A C 2.407 179.971 177.584 -0.033 0.000 1.181 276 A CA 1.683 53.705 52.037 -0.025 0.000 0.620 276 A CB -0.358 18.641 19.000 -0.001 0.000 0.821 276 A HN 0.295 nan 8.150 nan 0.000 0.443 277 K N -0.173 120.218 120.400 -0.016 0.000 2.032 277 K HA -0.249 4.072 4.320 0.001 0.000 0.209 277 K C 2.026 178.568 176.600 -0.096 0.000 1.048 277 K CA 1.897 58.140 56.287 -0.073 0.000 0.927 277 K CB -0.157 32.351 32.500 0.014 0.000 0.712 277 K HN 0.452 nan 8.250 nan 0.000 0.441 278 E N 0.355 120.573 120.200 0.029 0.000 2.023 278 E HA -0.238 4.112 4.350 0.001 0.000 0.196 278 E C 1.743 178.426 176.600 0.138 0.000 1.003 278 E CA 1.786 58.275 56.400 0.148 0.000 0.809 278 E CB -0.535 29.361 29.700 0.327 0.000 0.755 278 E HN 0.342 nan 8.360 nan 0.000 0.449 279 F N 0.947 120.727 119.950 -0.284 0.000 2.027 279 F HA -0.248 4.279 4.527 0.001 0.000 0.297 279 F C 1.977 177.681 175.800 -0.161 0.000 1.129 279 F CA 2.143 59.826 58.000 -0.529 0.000 1.195 279 F CB -0.663 37.798 39.000 -0.898 0.000 0.960 279 F HN 0.090 nan 8.300 nan 0.000 0.485 280 L N -0.075 120.985 121.223 -0.272 0.000 1.989 280 L HA -0.241 4.099 4.340 0.001 0.000 0.211 280 L C 2.430 179.097 176.870 -0.337 0.000 1.071 280 L CA 2.096 56.698 54.840 -0.396 0.000 0.749 280 L CB -0.965 40.766 42.059 -0.546 0.000 0.890 280 L HN 0.269 nan 8.230 nan 0.000 0.431 281 E N -0.267 119.708 120.200 -0.376 0.000 2.216 281 E HA -0.085 4.266 4.350 0.001 0.000 0.192 281 E C 1.071 177.704 176.600 0.055 0.000 0.988 281 E CA 0.674 56.889 56.400 -0.309 0.000 0.834 281 E CB 0.055 29.274 29.700 -0.802 0.000 0.772 281 E HN 0.527 nan 8.360 nan 0.000 0.479 282 N N -1.042 117.678 118.700 0.033 0.000 2.171 282 N HA 0.075 4.815 4.740 0.001 0.000 0.212 282 N C 0.183 175.602 175.510 -0.152 0.000 1.184 282 N CA 0.271 53.343 53.050 0.036 0.000 0.888 282 N CB 0.685 39.235 38.487 0.105 0.000 1.038 282 N HN 0.170 nan 8.380 nan 0.000 0.517 283 Y N -0.638 119.562 120.300 -0.167 0.000 2.731 283 Y HA 0.223 4.773 4.550 0.001 0.000 0.269 283 Y C 1.613 177.312 175.900 -0.335 0.000 1.156 283 Y CA -0.242 57.729 58.100 -0.214 0.000 1.191 283 Y CB 0.219 38.552 38.460 -0.211 0.000 1.382 283 Y HN -0.111 nan 8.280 nan 0.000 0.477 284 L N 0.138 121.141 121.223 -0.367 0.000 2.121 284 L HA 0.189 4.530 4.340 0.001 0.000 0.200 284 L C 0.937 177.724 176.870 -0.138 0.000 1.077 284 L CA 1.643 56.303 54.840 -0.299 0.000 0.766 284 L CB -0.597 41.242 42.059 -0.366 0.000 0.931 284 L HN 0.083 nan 8.230 nan 0.000 0.452 285 L N 1.593 122.773 121.223 -0.072 0.000 2.974 285 L HA 0.090 4.431 4.340 0.001 0.000 0.250 285 L C 0.025 176.884 176.870 -0.018 0.000 1.376 285 L CA 0.068 54.915 54.840 0.012 0.000 1.170 285 L CB -1.805 40.375 42.059 0.201 0.000 1.577 285 L HN 0.460 nan 8.230 nan 0.000 0.429 286 T N -6.807 107.692 114.554 -0.091 0.000 2.916 286 T HA 0.265 4.616 4.350 0.001 0.000 0.292 286 T C 0.733 175.314 174.700 -0.198 0.000 1.064 286 T CA -0.899 61.133 62.100 -0.113 0.000 1.011 286 T CB 2.160 70.954 68.868 -0.123 0.000 1.152 286 T HN -0.029 nan 8.240 nan 0.000 0.510 287 D N 0.775 121.064 120.400 -0.186 0.000 2.123 287 D HA -0.098 4.543 4.640 0.001 0.000 0.196 287 D C 1.694 177.728 176.300 -0.444 0.000 0.992 287 D CA 1.544 55.351 54.000 -0.322 0.000 0.833 287 D CB 0.064 40.828 40.800 -0.061 0.000 0.954 287 D HN 0.746 nan 8.370 nan 0.000 0.455 288 E N 0.356 120.419 120.200 -0.230 0.000 2.152 288 E HA -0.014 4.336 4.350 0.001 0.000 0.192 288 E C 2.142 178.635 176.600 -0.178 0.000 0.983 288 E CA 0.952 57.250 56.400 -0.170 0.000 0.818 288 E CB -0.584 29.059 29.700 -0.094 0.000 0.758 288 E HN 0.273 nan 8.360 nan 0.000 0.467 289 G N 1.122 109.808 108.800 -0.189 0.000 2.414 289 G HA2 -0.191 3.769 3.960 0.001 0.000 0.215 289 G HA3 -0.191 3.769 3.960 0.001 0.000 0.215 289 G C 1.507 176.306 174.900 -0.169 0.000 1.188 289 G CA 0.484 45.496 45.100 -0.147 0.000 0.783 289 G HN 0.156 nan 8.290 nan 0.000 0.537 290 L N 0.390 121.453 121.223 -0.266 0.000 2.191 290 L HA -0.019 4.322 4.340 0.001 0.000 0.212 290 L C 2.687 179.417 176.870 -0.234 0.000 1.103 290 L CA 1.240 55.942 54.840 -0.230 0.000 0.769 290 L CB -0.324 41.593 42.059 -0.237 0.000 0.908 290 L HN 0.391 nan 8.230 nan 0.000 0.438 291 E N 0.731 120.670 120.200 -0.435 0.000 2.047 291 E HA -0.222 4.129 4.350 0.001 0.000 0.191 291 E C 2.294 178.894 176.600 -0.001 0.000 0.987 291 E CA 1.131 57.449 56.400 -0.137 0.000 0.799 291 E CB 0.020 29.649 29.700 -0.120 0.000 0.752 291 E HN 0.424 nan 8.360 nan 0.000 0.449 292 A N 0.579 123.378 122.820 -0.035 0.000 1.908 292 A HA -0.169 4.151 4.320 0.001 0.000 0.218 292 A C 2.389 179.984 177.584 0.018 0.000 1.181 292 A CA 1.695 53.736 52.037 0.008 0.000 0.627 292 A CB -0.703 18.304 19.000 0.012 0.000 0.818 292 A HN 0.244 nan 8.150 nan 0.000 0.445 293 V N 0.321 120.241 119.914 0.010 0.000 2.379 293 V HA -0.211 3.910 4.120 0.001 0.000 0.245 293 V C 2.352 178.469 176.094 0.040 0.000 1.044 293 V CA 2.197 64.507 62.300 0.017 0.000 1.036 293 V CB -1.067 30.767 31.823 0.019 0.000 0.664 293 V HN 0.735 nan 8.190 nan 0.000 0.453 294 N N 0.209 118.956 118.700 0.078 0.000 2.223 294 N HA -0.159 4.581 4.740 0.001 0.000 0.185 294 N C 1.798 177.377 175.510 0.115 0.000 1.016 294 N CA 1.240 54.365 53.050 0.125 0.000 0.863 294 N CB -0.114 38.515 38.487 0.235 0.000 0.983 294 N HN 0.398 nan 8.380 nan 0.000 0.429 295 K N -0.177 120.283 120.400 0.100 0.000 2.097 295 K HA -0.152 4.168 4.320 0.001 0.000 0.206 295 K C 1.308 177.945 176.600 0.062 0.000 1.049 295 K CA 1.353 57.694 56.287 0.089 0.000 0.933 295 K CB -0.175 32.369 32.500 0.074 0.000 0.717 295 K HN 0.297 nan 8.250 nan 0.000 0.442 296 D N 0.535 120.953 120.400 0.029 0.000 2.084 296 D HA -0.074 4.567 4.640 0.001 0.000 0.196 296 D C -0.003 176.295 176.300 -0.003 0.000 0.985 296 D CA 1.360 55.352 54.000 -0.013 0.000 0.826 296 D CB 0.403 41.164 40.800 -0.066 0.000 0.978 296 D HN -0.161 nan 8.370 nan 0.000 0.456 297 K N 0.122 120.530 120.400 0.013 0.000 2.581 297 K HA 0.350 4.670 4.320 0.001 0.000 0.249 297 K C -2.745 173.884 176.600 0.049 0.000 0.966 297 K CA -1.976 54.334 56.287 0.038 0.000 0.811 297 K CB 2.241 34.754 32.500 0.021 0.000 1.223 297 K HN -0.073 nan 8.250 nan 0.000 0.438 298 P HA 0.084 nan 4.420 nan 0.000 0.262 298 P C 0.578 177.848 177.300 -0.050 0.000 1.182 298 P CA 0.148 63.241 63.100 -0.012 0.000 0.761 298 P CB 0.592 32.224 31.700 -0.114 0.000 0.795 299 L N 2.112 123.348 121.223 0.022 0.000 2.375 299 L HA 0.220 4.561 4.340 0.001 0.000 0.215 299 L C 1.514 178.399 176.870 0.025 0.000 1.108 299 L CA 0.961 55.833 54.840 0.053 0.000 0.830 299 L CB -0.676 41.442 42.059 0.098 0.000 0.959 299 L HN 0.723 nan 8.230 nan 0.000 0.457 300 G N 0.040 108.829 108.800 -0.019 0.000 2.516 300 G HA2 -0.156 3.805 3.960 0.001 0.000 0.220 300 G HA3 -0.156 3.805 3.960 0.001 0.000 0.220 300 G C -0.349 174.601 174.900 0.083 0.000 1.165 300 G CA -0.334 44.765 45.100 -0.002 0.000 1.013 300 G HN 0.310 nan 8.290 nan 0.000 0.590 301 A N 0.860 123.742 122.820 0.102 0.000 2.666 301 A HA 0.692 5.013 4.320 0.001 0.000 0.312 301 A C 1.027 178.695 177.584 0.140 0.000 1.471 301 A CA 0.612 52.725 52.037 0.127 0.000 1.134 301 A CB -0.641 18.440 19.000 0.135 0.000 1.129 301 A HN 2.295 nan 8.150 nan 0.000 0.539 302 V N 0.417 120.419 119.914 0.146 0.000 2.901 302 V HA 0.294 4.414 4.120 0.001 0.000 0.307 302 V C 1.273 177.436 176.094 0.115 0.000 1.084 302 V CA 0.528 62.908 62.300 0.133 0.000 1.184 302 V CB 0.141 32.083 31.823 0.199 0.000 0.941 302 V HN 1.039 nan 8.190 nan 0.000 0.493 303 A N 3.668 126.489 122.820 0.002 0.000 2.168 303 A HA 0.200 4.520 4.320 0.001 0.000 0.215 303 A C 1.093 178.583 177.584 -0.158 0.000 1.152 303 A CA 0.478 52.453 52.037 -0.104 0.000 0.716 303 A CB -0.446 18.370 19.000 -0.307 0.000 0.794 303 A HN 1.043 nan 8.150 nan 0.000 0.465 304 L N 0.829 121.995 121.223 -0.095 0.000 2.325 304 L HA 0.203 4.543 4.340 0.001 0.000 0.284 304 L C 1.074 177.854 176.870 -0.151 0.000 1.089 304 L CA 0.083 54.836 54.840 -0.145 0.000 0.836 304 L CB 0.169 42.191 42.059 -0.061 0.000 1.184 304 L HN 0.269 nan 8.230 nan 0.000 0.444 305 K N 1.682 121.847 120.400 -0.391 0.000 2.032 305 K HA -0.275 4.046 4.320 0.001 0.000 0.218 305 K C 2.022 178.568 176.600 -0.090 0.000 1.054 305 K CA 2.275 58.299 56.287 -0.439 0.000 0.941 305 K CB -0.321 31.884 32.500 -0.493 0.000 0.720 305 K HN 0.919 nan 8.250 nan 0.000 0.449 306 S N 0.367 116.034 115.700 -0.055 0.000 2.359 306 S HA -0.255 4.215 4.470 0.001 0.000 0.223 306 S C 2.120 176.790 174.600 0.117 0.000 1.039 306 S CA 1.457 59.675 58.200 0.030 0.000 1.042 306 S CB -0.792 62.422 63.200 0.024 0.000 0.915 306 S HN 0.343 nan 8.310 nan 0.000 0.439 307 Y N 2.436 122.726 120.300 -0.015 0.000 2.220 307 Y HA 0.074 4.625 4.550 0.001 0.000 0.291 307 Y C 2.788 178.718 175.900 0.050 0.000 1.129 307 Y CA 1.412 59.521 58.100 0.015 0.000 1.161 307 Y CB -0.508 37.957 38.460 0.009 0.000 0.997 307 Y HN 0.298 nan 8.280 nan 0.000 0.522 308 E N 0.974 121.252 120.200 0.130 0.000 2.160 308 E HA -0.289 4.061 4.350 0.001 0.000 0.195 308 E C 1.943 178.591 176.600 0.079 0.000 0.991 308 E CA 1.650 58.124 56.400 0.124 0.000 0.810 308 E CB -0.168 29.712 29.700 0.298 0.000 0.742 308 E HN 0.741 nan 8.360 nan 0.000 0.466 309 E N 0.182 120.433 120.200 0.085 0.000 2.107 309 E HA -0.169 4.182 4.350 0.001 0.000 0.191 309 E C 2.060 178.657 176.600 -0.006 0.000 0.982 309 E CA 0.908 57.347 56.400 0.065 0.000 0.809 309 E CB -0.056 29.689 29.700 0.076 0.000 0.756 309 E HN 0.307 nan 8.360 nan 0.000 0.459 310 E N 0.295 120.457 120.200 -0.063 0.000 2.072 310 E HA -0.122 4.228 4.350 0.001 0.000 0.190 310 E C 1.915 178.418 176.600 -0.162 0.000 0.982 310 E CA 0.686 57.020 56.400 -0.110 0.000 0.803 310 E CB 0.073 29.690 29.700 -0.138 0.000 0.755 310 E HN 0.319 nan 8.360 nan 0.000 0.453 311 L N 0.416 121.483 121.223 -0.261 0.000 2.591 311 L HA 0.142 4.483 4.340 0.001 0.000 0.228 311 L C 2.076 178.903 176.870 -0.072 0.000 1.133 311 L CA 0.144 54.867 54.840 -0.195 0.000 0.880 311 L CB 0.012 41.905 42.059 -0.275 0.000 1.033 311 L HN 0.135 nan 8.230 nan 0.000 0.450 312 A N 0.485 123.277 122.820 -0.045 0.000 2.216 312 A HA -0.117 4.204 4.320 0.001 0.000 0.214 312 A C 2.257 179.834 177.584 -0.012 0.000 1.160 312 A CA 1.550 53.584 52.037 -0.006 0.000 0.725 312 A CB -0.492 18.516 19.000 0.013 0.000 0.784 312 A HN 0.363 nan 8.150 nan 0.000 0.472 313 K N 0.228 120.613 120.400 -0.025 0.000 2.469 313 K HA 0.132 4.453 4.320 0.001 0.000 0.201 313 K C 0.038 176.618 176.600 -0.034 0.000 1.028 313 K CA 0.297 56.568 56.287 -0.027 0.000 1.170 313 K CB -0.414 32.069 32.500 -0.029 0.000 0.874 313 K HN 0.511 nan 8.250 nan 0.000 0.507 314 D N 0.431 120.814 120.400 -0.028 0.000 2.249 314 D HA 0.192 4.833 4.640 0.001 0.000 0.246 314 D C -1.945 174.318 176.300 -0.062 0.000 1.114 314 D CA -2.148 51.826 54.000 -0.043 0.000 0.854 314 D CB 2.080 42.877 40.800 -0.005 0.000 1.132 314 D HN -0.080 nan 8.370 nan 0.000 0.461 315 P HA -0.112 nan 4.420 nan 0.000 0.215 315 P C 1.191 178.408 177.300 -0.138 0.000 1.157 315 P CA 1.268 64.299 63.100 -0.115 0.000 0.868 315 P CB 0.335 31.947 31.700 -0.147 0.000 0.788 316 R N -0.707 119.641 120.500 -0.253 0.000 2.073 316 R HA -0.076 4.264 4.340 0.001 0.000 0.234 316 R C 2.373 178.648 176.300 -0.042 0.000 1.134 316 R CA 1.307 57.175 56.100 -0.387 0.000 0.952 316 R CB -1.024 28.615 30.300 -1.103 0.000 0.850 316 R HN 0.245 nan 8.270 nan 0.000 0.433 317 I N 0.648 121.268 120.570 0.083 0.000 2.315 317 I HA -0.207 3.963 4.170 0.001 0.000 0.248 317 I C 2.583 178.760 176.117 0.099 0.000 1.117 317 I CA 0.949 62.374 61.300 0.208 0.000 1.404 317 I CB -0.408 37.694 38.000 0.169 0.000 1.071 317 I HN 0.206 nan 8.210 nan 0.000 0.419 318 A N 0.920 123.760 122.820 0.033 0.000 1.940 318 A HA -0.186 4.134 4.320 0.001 0.000 0.219 318 A C 2.546 180.139 177.584 0.014 0.000 1.176 318 A CA 1.916 53.959 52.037 0.009 0.000 0.631 318 A CB -0.699 18.291 19.000 -0.016 0.000 0.814 318 A HN 0.435 nan 8.150 nan 0.000 0.446 319 A N -0.954 121.876 122.820 0.017 0.000 1.855 319 A HA -0.072 4.248 4.320 0.001 0.000 0.215 319 A C 2.308 179.924 177.584 0.054 0.000 1.191 319 A CA 2.257 54.308 52.037 0.023 0.000 0.613 319 A CB -1.375 17.634 19.000 0.016 0.000 0.829 319 A HN 0.424 nan 8.150 nan 0.000 0.442 320 T N 0.362 114.982 114.554 0.110 0.000 2.699 320 T HA -0.181 4.169 4.350 0.001 0.000 0.268 320 T C 1.934 176.676 174.700 0.070 0.000 1.036 320 T CA 1.730 63.901 62.100 0.119 0.000 1.147 320 T CB -0.291 68.689 68.868 0.186 0.000 0.862 320 T HN 0.289 nan 8.240 nan 0.000 0.446 321 M N 0.940 120.573 119.600 0.054 0.000 2.159 321 M HA -0.019 4.461 4.480 0.001 0.000 0.263 321 M C 2.316 178.615 176.300 -0.002 0.000 1.063 321 M CA 1.261 56.571 55.300 0.017 0.000 1.110 321 M CB -0.986 31.614 32.600 0.001 0.000 1.374 321 M HN 0.379 nan 8.290 nan 0.000 0.411 322 E N 0.361 120.563 120.200 0.002 0.000 2.077 322 E HA -0.183 4.168 4.350 0.001 0.000 0.193 322 E C 1.731 178.329 176.600 -0.003 0.000 0.989 322 E CA 0.898 57.293 56.400 -0.009 0.000 0.800 322 E CB 0.152 29.846 29.700 -0.011 0.000 0.746 322 E HN 0.473 nan 8.360 nan 0.000 0.452 323 N N 0.323 119.030 118.700 0.011 0.000 2.188 323 N HA -0.129 4.611 4.740 0.001 0.000 0.184 323 N C 1.704 177.231 175.510 0.027 0.000 1.018 323 N CA 1.104 54.163 53.050 0.016 0.000 0.858 323 N CB -0.199 38.301 38.487 0.022 0.000 0.989 323 N HN 0.160 nan 8.380 nan 0.000 0.426 324 A N 1.526 124.365 122.820 0.032 0.000 1.902 324 A HA -0.175 4.145 4.320 0.001 0.000 0.217 324 A C 2.166 179.755 177.584 0.009 0.000 1.181 324 A CA 1.236 53.297 52.037 0.041 0.000 0.623 324 A CB -0.570 18.451 19.000 0.036 0.000 0.818 324 A HN 0.345 nan 8.150 nan 0.000 0.443 325 Q N -0.241 119.546 119.800 -0.021 0.000 2.084 325 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 325 Q C 1.956 177.945 176.000 -0.019 0.000 0.978 325 Q CA 1.724 57.502 55.803 -0.041 0.000 0.844 325 Q CB -0.223 28.484 28.738 -0.052 0.000 0.898 325 Q HN 0.643 nan 8.270 nan 0.000 0.426 326 K N 0.122 120.517 120.400 -0.007 0.000 2.217 326 K HA 0.008 4.328 4.320 0.001 0.000 0.202 326 K C 1.092 177.697 176.600 0.009 0.000 1.051 326 K CA 0.745 57.030 56.287 -0.003 0.000 0.952 326 K CB 0.067 32.565 32.500 -0.004 0.000 0.736 326 K HN 0.139 nan 8.250 nan 0.000 0.453 327 G N 1.423 110.240 108.800 0.029 0.000 2.568 327 G HA2 0.263 4.223 3.960 0.001 0.000 0.293 327 G HA3 0.263 4.223 3.960 0.001 0.000 0.293 327 G C -0.948 174.001 174.900 0.081 0.000 1.347 327 G CA -0.566 44.565 45.100 0.053 0.000 1.039 327 G HN 0.185 nan 8.290 nan 0.000 0.523 328 E N -1.326 118.954 120.200 0.133 0.000 2.299 328 E HA 0.498 4.848 4.350 0.001 0.000 0.265 328 E C -0.909 175.891 176.600 0.333 0.000 0.911 328 E CA -0.937 55.574 56.400 0.185 0.000 0.789 328 E CB 2.149 31.952 29.700 0.171 0.000 1.246 328 E HN 0.310 nan 8.360 nan 0.000 0.427 329 I N 2.580 123.318 120.570 0.280 0.000 2.452 329 I HA 0.049 4.220 4.170 0.001 0.000 0.287 329 I C 0.786 177.129 176.117 0.377 0.000 1.079 329 I CA -0.194 61.303 61.300 0.328 0.000 1.387 329 I CB 0.286 38.417 38.000 0.219 0.000 1.404 329 I HN 0.448 nan 8.210 nan 0.000 0.522 330 M N 7.862 127.674 119.600 0.354 0.000 2.246 330 M HA 0.053 4.534 4.480 0.001 0.000 0.327 330 M C -2.211 174.067 176.300 -0.037 0.000 1.090 330 M CA -0.866 54.368 55.300 -0.109 0.000 1.087 330 M CB -0.434 31.925 32.600 -0.403 0.000 1.587 330 M HN 0.232 nan 8.290 nan 0.000 0.444 331 P HA 0.136 nan 4.420 nan 0.000 0.277 331 P C -0.587 176.585 177.300 -0.213 0.000 1.240 331 P CA -0.300 62.597 63.100 -0.339 0.000 0.798 331 P CB 0.490 31.589 31.700 -1.002 0.000 0.979 332 N N 1.273 119.953 118.700 -0.032 0.000 2.236 332 N HA 0.047 4.787 4.740 0.001 0.000 0.196 332 N C 0.532 175.998 175.510 -0.073 0.000 1.114 332 N CA -0.218 52.811 53.050 -0.035 0.000 0.859 332 N CB -0.754 37.803 38.487 0.116 0.000 0.982 332 N HN 0.348 nan 8.380 nan 0.000 0.493 333 I N -2.981 117.553 120.570 -0.060 0.000 2.948 333 I HA 0.155 4.326 4.170 0.001 0.000 0.290 333 I C -1.546 174.503 176.117 -0.114 0.000 1.226 333 I CA -1.409 59.867 61.300 -0.040 0.000 1.413 333 I CB 0.317 38.264 38.000 -0.088 0.000 1.352 333 I HN -0.217 nan 8.210 nan 0.000 0.597 334 P HA -0.178 nan 4.420 nan 0.000 0.219 334 P C 1.256 178.540 177.300 -0.027 0.000 1.146 334 P CA 1.149 64.209 63.100 -0.066 0.000 0.808 334 P CB 0.043 31.727 31.700 -0.026 0.000 0.779 335 Q N -1.433 118.322 119.800 -0.074 0.000 2.436 335 Q HA -0.017 4.324 4.340 0.001 0.000 0.209 335 Q C 1.809 177.886 176.000 0.128 0.000 0.965 335 Q CA 0.931 56.719 55.803 -0.024 0.000 0.910 335 Q CB -0.799 27.788 28.738 -0.252 0.000 0.980 335 Q HN 0.088 nan 8.270 nan 0.000 0.491 336 M N -0.509 119.122 119.600 0.052 0.000 2.202 336 M HA -0.149 4.332 4.480 0.001 0.000 0.262 336 M C 2.023 178.413 176.300 0.149 0.000 1.063 336 M CA 1.753 57.087 55.300 0.056 0.000 1.097 336 M CB -1.136 31.417 32.600 -0.077 0.000 1.382 336 M HN 0.359 nan 8.290 nan 0.000 0.413 337 S N 0.354 116.197 115.700 0.238 0.000 2.368 337 S HA -0.041 4.430 4.470 0.001 0.000 0.224 337 S C 2.136 176.983 174.600 0.411 0.000 1.029 337 S CA 1.111 59.538 58.200 0.378 0.000 0.988 337 S CB -0.690 62.707 63.200 0.328 0.000 0.838 337 S HN 0.432 nan 8.310 nan 0.000 0.462 338 A N 1.996 125.040 122.820 0.373 0.000 1.845 338 A HA 0.023 4.344 4.320 0.001 0.000 0.215 338 A C 1.968 179.671 177.584 0.198 0.000 1.195 338 A CA 1.607 53.849 52.037 0.341 0.000 0.616 338 A CB -1.386 17.815 19.000 0.334 0.000 0.832 338 A HN 0.576 nan 8.150 nan 0.000 0.443 339 F N -0.551 119.421 119.950 0.036 0.000 2.063 339 F HA -0.294 4.233 4.527 0.001 0.000 0.298 339 F C 2.066 177.758 175.800 -0.181 0.000 1.105 339 F CA 2.020 59.895 58.000 -0.208 0.000 1.215 339 F CB -0.744 37.948 39.000 -0.514 0.000 0.972 339 F HN 0.444 nan 8.300 nan 0.000 0.483 340 W N -1.398 119.782 121.300 -0.201 0.000 2.355 340 W HA -0.246 4.415 4.660 0.002 0.000 0.309 340 W C 2.543 178.908 176.519 -0.257 0.000 1.206 340 W CA 1.135 58.306 57.345 -0.291 0.000 1.284 340 W CB -1.036 28.408 29.460 -0.026 0.000 1.145 340 W HN 0.181 nan 8.180 nan 0.000 0.502 341 Y N 1.196 121.436 120.300 -0.099 0.000 2.165 341 Y HA -0.262 4.289 4.550 0.001 0.000 0.286 341 Y C 2.289 178.025 175.900 -0.273 0.000 1.155 341 Y CA 2.042 59.930 58.100 -0.353 0.000 1.164 341 Y CB -0.941 36.830 38.460 -1.150 0.000 0.978 341 Y HN -0.079 nan 8.280 nan 0.000 0.513 342 A N -0.427 122.239 122.820 -0.256 0.000 1.851 342 A HA -0.194 4.126 4.320 0.001 0.000 0.216 342 A C 2.369 179.785 177.584 -0.279 0.000 1.195 342 A CA 2.465 54.356 52.037 -0.243 0.000 0.622 342 A CB -1.431 17.502 19.000 -0.111 0.000 0.831 342 A HN 0.312 nan 8.150 nan 0.000 0.444 343 V N 0.253 119.984 119.914 -0.305 0.000 2.287 343 V HA -0.291 3.830 4.120 0.001 0.000 0.248 343 V C 2.681 178.704 176.094 -0.119 0.000 1.053 343 V CA 2.417 64.594 62.300 -0.206 0.000 1.027 343 V CB -0.907 30.733 31.823 -0.306 0.000 0.646 343 V HN 0.684 nan 8.190 nan 0.000 0.447 344 R N -0.160 120.261 120.500 -0.131 0.000 2.103 344 R HA -0.198 4.143 4.340 0.001 0.000 0.242 344 R C 2.279 178.468 176.300 -0.185 0.000 1.142 344 R CA 2.262 58.301 56.100 -0.101 0.000 0.960 344 R CB -0.463 29.774 30.300 -0.104 0.000 0.858 344 R HN 0.546 nan 8.270 nan 0.000 0.439 345 T N 0.235 114.578 114.554 -0.351 0.000 2.857 345 T HA -0.002 4.348 4.350 0.001 0.000 0.266 345 T C 1.753 176.343 174.700 -0.185 0.000 1.048 345 T CA 1.098 62.997 62.100 -0.334 0.000 1.139 345 T CB -0.158 68.391 68.868 -0.532 0.000 0.874 345 T HN 0.461 nan 8.240 nan 0.000 0.455 346 A N 1.088 123.814 122.820 -0.157 0.000 1.873 346 A HA -0.027 4.294 4.320 0.001 0.000 0.215 346 A C 2.561 180.107 177.584 -0.064 0.000 1.186 346 A CA 1.269 53.249 52.037 -0.095 0.000 0.616 346 A CB -1.021 17.933 19.000 -0.076 0.000 0.823 346 A HN 0.331 nan 8.150 nan 0.000 0.442 347 V N 0.390 120.277 119.914 -0.046 0.000 2.261 347 V HA -0.288 3.832 4.120 0.001 0.000 0.246 347 V C 2.449 178.523 176.094 -0.033 0.000 1.047 347 V CA 2.106 64.394 62.300 -0.019 0.000 1.015 347 V CB -0.729 31.110 31.823 0.027 0.000 0.642 347 V HN 0.567 nan 8.190 nan 0.000 0.446 348 I N 0.522 121.065 120.570 -0.045 0.000 2.163 348 I HA -0.254 3.916 4.170 0.001 0.000 0.243 348 I C 2.401 178.490 176.117 -0.046 0.000 1.085 348 I CA 1.659 62.932 61.300 -0.045 0.000 1.347 348 I CB -0.529 37.441 38.000 -0.050 0.000 1.044 348 I HN 0.398 nan 8.210 nan 0.000 0.408 349 N N 1.130 119.797 118.700 -0.055 0.000 2.142 349 N HA -0.099 4.641 4.740 0.001 0.000 0.186 349 N C 1.893 177.377 175.510 -0.043 0.000 1.023 349 N CA 1.568 54.589 53.050 -0.049 0.000 0.852 349 N CB -0.439 38.014 38.487 -0.056 0.000 0.998 349 N HN 0.333 nan 8.380 nan 0.000 0.424 350 A N 0.846 123.640 122.820 -0.044 0.000 1.933 350 A HA 0.050 4.371 4.320 0.001 0.000 0.218 350 A C 2.271 179.832 177.584 -0.039 0.000 1.175 350 A CA 1.844 53.857 52.037 -0.040 0.000 0.628 350 A CB -0.644 18.333 19.000 -0.038 0.000 0.814 350 A HN 0.320 nan 8.150 nan 0.000 0.444 351 A N -0.049 122.747 122.820 -0.041 0.000 2.016 351 A HA 0.051 4.372 4.320 0.001 0.000 0.217 351 A C 2.329 179.889 177.584 -0.041 0.000 1.162 351 A CA 1.803 53.814 52.037 -0.044 0.000 0.662 351 A CB -0.573 18.398 19.000 -0.049 0.000 0.812 351 A HN 0.908 nan 8.150 nan 0.000 0.450 352 S N -2.463 113.215 115.700 -0.037 0.000 2.524 352 S HA 0.382 4.853 4.470 0.001 0.000 0.216 352 S C 1.487 176.070 174.600 -0.029 0.000 0.987 352 S CA 1.101 59.282 58.200 -0.031 0.000 0.909 352 S CB 0.006 63.190 63.200 -0.027 0.000 0.781 352 S HN 1.792 nan 8.310 nan 0.000 0.521 353 G N 2.010 110.791 108.800 -0.032 0.000 2.175 353 G HA2 -0.348 3.612 3.960 0.001 0.000 0.244 353 G HA3 -0.348 3.612 3.960 0.001 0.000 0.244 353 G C 0.856 175.738 174.900 -0.030 0.000 0.982 353 G CA 0.395 45.478 45.100 -0.030 0.000 0.641 353 G HN 0.563 nan 8.290 nan 0.000 0.527 354 R N 0.250 120.731 120.500 -0.031 0.000 2.105 354 R HA 0.005 4.346 4.340 0.001 0.000 0.239 354 R C 0.958 177.236 176.300 -0.037 0.000 1.135 354 R CA 1.972 58.053 56.100 -0.033 0.000 0.967 354 R CB -0.060 30.221 30.300 -0.031 0.000 0.861 354 R HN 0.575 nan 8.270 nan 0.000 0.442 355 Q N -0.640 119.137 119.800 -0.038 0.000 2.456 355 Q HA 0.215 4.555 4.340 0.001 0.000 0.283 355 Q C -1.070 174.908 176.000 -0.036 0.000 1.084 355 Q CA -0.704 55.075 55.803 -0.039 0.000 0.801 355 Q CB 2.372 31.082 28.738 -0.046 0.000 1.434 355 Q HN 0.193 nan 8.270 nan 0.000 0.419 356 T N -2.510 112.024 114.554 -0.033 0.000 2.849 356 T HA 0.195 4.545 4.350 0.001 0.000 0.284 356 T C 1.287 175.970 174.700 -0.029 0.000 1.004 356 T CA -0.685 61.398 62.100 -0.028 0.000 1.021 356 T CB 0.750 69.603 68.868 -0.024 0.000 1.013 356 T HN 0.322 nan 8.240 nan 0.000 0.527 357 V N 1.517 121.416 119.914 -0.025 0.000 2.324 357 V HA -0.205 3.916 4.120 0.001 0.000 0.250 357 V C 2.320 178.400 176.094 -0.024 0.000 1.060 357 V CA 2.394 64.680 62.300 -0.025 0.000 1.042 357 V CB -0.983 30.829 31.823 -0.018 0.000 0.650 357 V HN 0.917 nan 8.190 nan 0.000 0.450 358 D N -0.051 120.336 120.400 -0.020 0.000 2.097 358 D HA -0.058 4.583 4.640 0.001 0.000 0.197 358 D C 2.222 178.508 176.300 -0.024 0.000 0.984 358 D CA 1.441 55.430 54.000 -0.019 0.000 0.826 358 D CB -0.392 40.400 40.800 -0.014 0.000 0.973 358 D HN 0.420 nan 8.370 nan 0.000 0.460 359 A N 0.907 123.710 122.820 -0.027 0.000 1.883 359 A HA -0.095 4.226 4.320 0.001 0.000 0.217 359 A C 2.244 179.804 177.584 -0.039 0.000 1.186 359 A CA 2.241 54.258 52.037 -0.033 0.000 0.624 359 A CB -1.042 17.936 19.000 -0.036 0.000 0.822 359 A HN 0.240 nan 8.150 nan 0.000 0.444 360 A N -0.147 122.648 122.820 -0.041 0.000 1.851 360 A HA -0.098 4.223 4.320 0.001 0.000 0.216 360 A C 2.191 179.747 177.584 -0.046 0.000 1.195 360 A CA 1.638 53.645 52.037 -0.049 0.000 0.622 360 A CB -0.786 18.185 19.000 -0.049 0.000 0.831 360 A HN 0.480 nan 8.150 nan 0.000 0.444 361 L N -0.838 120.363 121.223 -0.036 0.000 2.083 361 L HA -0.201 4.139 4.340 0.001 0.000 0.209 361 L C 3.094 179.949 176.870 -0.025 0.000 1.083 361 L CA 0.996 55.819 54.840 -0.029 0.000 0.752 361 L CB -0.658 41.386 42.059 -0.025 0.000 0.899 361 L HN 0.477 nan 8.230 nan 0.000 0.433 362 A N 0.238 123.044 122.820 -0.024 0.000 1.902 362 A HA -0.181 4.140 4.320 0.001 0.000 0.217 362 A C 2.530 180.104 177.584 -0.016 0.000 1.181 362 A CA 1.811 53.838 52.037 -0.017 0.000 0.623 362 A CB -0.633 18.358 19.000 -0.017 0.000 0.818 362 A HN 0.406 nan 8.150 nan 0.000 0.443 363 A N -0.413 122.390 122.820 -0.028 0.000 1.969 363 A HA 0.249 4.570 4.320 0.001 0.000 0.218 363 A C 2.428 179.999 177.584 -0.021 0.000 1.169 363 A CA 1.775 53.793 52.037 -0.031 0.000 0.635 363 A CB -0.802 18.165 19.000 -0.056 0.000 0.810 363 A HN 0.996 nan 8.150 nan 0.000 0.445 364 A N -0.843 121.958 122.820 -0.032 0.000 1.930 364 A HA -0.137 4.183 4.320 0.001 0.000 0.217 364 A C 2.113 179.697 177.584 0.000 0.000 1.175 364 A CA 1.913 53.928 52.037 -0.036 0.000 0.627 364 A CB -0.452 18.515 19.000 -0.055 0.000 0.815 364 A HN 0.517 nan 8.150 nan 0.000 0.443 365 Q N -0.267 119.536 119.800 0.006 0.000 2.135 365 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 365 Q C 1.970 178.001 176.000 0.051 0.000 0.981 365 Q CA 2.579 58.396 55.803 0.024 0.000 0.856 365 Q CB -0.673 28.073 28.738 0.013 0.000 0.902 365 Q HN 0.573 nan 8.270 nan 0.000 0.425 366 T N 0.238 114.818 114.554 0.043 0.000 2.735 366 T HA -0.034 4.316 4.350 0.001 0.000 0.256 366 T C 1.428 176.178 174.700 0.084 0.000 1.042 366 T CA 1.193 63.328 62.100 0.058 0.000 1.147 366 T CB -0.342 68.549 68.868 0.039 0.000 0.865 366 T HN 0.334 nan 8.240 nan 0.000 0.421 367 N N 1.749 120.495 118.700 0.077 0.000 2.205 367 N HA -0.014 4.726 4.740 0.001 0.000 0.186 367 N C 1.743 177.342 175.510 0.149 0.000 1.015 367 N CA 1.073 54.194 53.050 0.118 0.000 0.862 367 N CB -0.378 38.174 38.487 0.109 0.000 0.986 367 N HN 0.408 nan 8.380 nan 0.000 0.429 368 A N -0.384 122.512 122.820 0.127 0.000 2.172 368 A HA 0.244 4.564 4.320 0.001 0.000 0.216 368 A C 1.759 179.502 177.584 0.265 0.000 1.154 368 A CA 1.359 53.505 52.037 0.183 0.000 0.701 368 A CB -0.252 18.832 19.000 0.141 0.000 0.789 368 A HN 0.283 nan 8.150 nan 0.000 0.465 369 A N -1.430 121.514 122.820 0.207 0.000 2.470 369 A HA 0.714 5.035 4.320 0.001 0.000 0.251 369 A C 1.078 178.753 177.584 0.150 0.000 1.245 369 A CA 0.595 52.749 52.037 0.197 0.000 0.932 369 A CB -0.411 18.689 19.000 0.167 0.000 1.037 369 A HN 0.736 nan 8.150 nan 0.000 0.522 1019 P HA 0.165 nan 4.420 nan 0.000 0.262 1019 P C -0.146 176.942 177.300 -0.353 0.000 1.182 1019 P CA 0.182 63.241 63.100 -0.068 0.000 0.761 1019 P CB 0.532 32.239 31.700 0.012 0.000 0.795 1020 I N -1.179 118.908 120.570 -0.805 0.000 3.264 1020 I HA 0.440 4.611 4.170 0.001 0.000 0.315 1020 I C -0.260 175.309 176.117 -0.913 0.000 1.154 1020 I CA -1.128 59.678 61.300 -0.824 0.000 0.962 1020 I CB 1.889 39.486 38.000 -0.673 0.000 1.265 1020 I HN 0.141 nan 8.210 nan 0.000 0.463 1021 H N 2.792 121.618 119.070 -0.407 0.000 3.268 1021 H HA 0.146 4.702 4.556 0.001 0.000 0.213 1021 H C 0.144 175.343 175.328 -0.214 0.000 1.858 1021 H CA 0.025 55.931 56.048 -0.237 0.000 1.386 1021 H CB -0.965 28.718 29.762 -0.132 0.000 1.734 1021 H HN 0.602 nan 8.280 nan 0.000 0.612 1022 Y N 1.183 121.446 120.300 -0.063 0.000 1.929 1022 Y HA -0.435 4.115 4.550 0.001 0.000 0.247 1022 Y C 2.529 178.406 175.900 -0.038 0.000 1.176 1022 Y CA 2.164 60.145 58.100 -0.198 0.000 1.075 1022 Y CB -0.790 37.445 38.460 -0.374 0.000 0.907 1022 Y HN 0.412 nan 8.280 nan 0.000 0.499 1023 D N -0.411 120.123 120.400 0.223 0.000 2.160 1023 D HA -0.303 4.338 4.640 0.001 0.000 0.189 1023 D C 2.154 178.509 176.300 0.092 0.000 1.003 1023 D CA 2.323 56.416 54.000 0.155 0.000 0.846 1023 D CB -0.242 40.631 40.800 0.123 0.000 0.949 1023 D HN 0.174 nan 8.370 nan 0.000 0.446 1024 K N 0.373 120.812 120.400 0.065 0.000 2.015 1024 K HA -0.172 4.149 4.320 0.001 0.000 0.216 1024 K C 2.150 178.769 176.600 0.032 0.000 1.052 1024 K CA 1.931 58.236 56.287 0.029 0.000 0.937 1024 K CB -0.779 31.730 32.500 0.016 0.000 0.719 1024 K HN 0.433 nan 8.250 nan 0.000 0.446 1025 I N 0.240 120.829 120.570 0.031 0.000 2.394 1025 I HA -0.230 3.940 4.170 0.001 0.000 0.251 1025 I C 1.956 178.101 176.117 0.047 0.000 1.136 1025 I CA 1.433 62.746 61.300 0.021 0.000 1.425 1025 I CB -0.498 37.493 38.000 -0.015 0.000 1.079 1025 I HN 0.280 nan 8.210 nan 0.000 0.425 1026 T N 0.352 114.951 114.554 0.074 0.000 2.643 1026 T HA -0.150 4.201 4.350 0.001 0.000 0.264 1026 T C 1.814 176.563 174.700 0.081 0.000 1.045 1026 T CA 1.203 63.365 62.100 0.103 0.000 1.155 1026 T CB -0.222 68.740 68.868 0.158 0.000 0.863 1026 T HN 0.297 nan 8.240 nan 0.000 0.420 1027 E N 1.030 121.272 120.200 0.070 0.000 2.097 1027 E HA -0.207 4.144 4.350 0.001 0.000 0.196 1027 E C 2.182 178.807 176.600 0.043 0.000 1.000 1027 E CA 1.136 57.567 56.400 0.052 0.000 0.804 1027 E CB -0.328 29.395 29.700 0.038 0.000 0.740 1027 E HN 0.656 nan 8.360 nan 0.000 0.454 1028 E N 0.652 120.874 120.200 0.037 0.000 2.023 1028 E HA -0.184 4.167 4.350 0.001 0.000 0.196 1028 E C 2.288 178.911 176.600 0.037 0.000 1.003 1028 E CA 1.109 57.527 56.400 0.029 0.000 0.809 1028 E CB -0.126 29.588 29.700 0.022 0.000 0.755 1028 E HN 0.201 nan 8.360 nan 0.000 0.449 1029 I N 1.295 121.893 120.570 0.047 0.000 2.286 1029 I HA -0.266 3.905 4.170 0.001 0.000 0.248 1029 I C 2.128 178.282 176.117 0.061 0.000 1.115 1029 I CA 0.721 62.053 61.300 0.054 0.000 1.392 1029 I CB -0.464 37.574 38.000 0.063 0.000 1.065 1029 I HN 0.168 nan 8.210 nan 0.000 0.418 1030 N N 1.305 120.044 118.700 0.065 0.000 2.036 1030 N HA -0.248 4.492 4.740 0.001 0.000 0.195 1030 N C 1.759 177.304 175.510 0.058 0.000 1.037 1030 N CA 1.364 54.453 53.050 0.066 0.000 0.855 1030 N CB -0.453 38.072 38.487 0.064 0.000 1.033 1030 N HN 0.331 nan 8.380 nan 0.000 0.423 1031 K N 0.659 121.087 120.400 0.047 0.000 2.074 1031 K HA -0.119 4.201 4.320 0.001 0.000 0.209 1031 K C 1.914 178.536 176.600 0.037 0.000 1.048 1031 K CA 1.429 57.738 56.287 0.037 0.000 0.926 1031 K CB -0.131 32.386 32.500 0.027 0.000 0.713 1031 K HN 0.163 nan 8.250 nan 0.000 0.444 1032 A N 0.531 123.375 122.820 0.040 0.000 1.851 1032 A HA -0.146 4.175 4.320 0.001 0.000 0.216 1032 A C 2.260 179.874 177.584 0.050 0.000 1.195 1032 A CA 1.928 53.989 52.037 0.040 0.000 0.622 1032 A CB -0.874 18.152 19.000 0.043 0.000 0.831 1032 A HN 0.164 nan 8.150 nan 0.000 0.444 1033 V N 0.703 120.662 119.914 0.074 0.000 2.287 1033 V HA -0.313 3.808 4.120 0.001 0.000 0.248 1033 V C 2.220 178.367 176.094 0.088 0.000 1.053 1033 V CA 2.534 64.898 62.300 0.107 0.000 1.027 1033 V CB -1.198 30.704 31.823 0.133 0.000 0.646 1033 V HN 0.552 nan 8.190 nan 0.000 0.447 1034 D N 0.162 120.606 120.400 0.073 0.000 2.137 1034 D HA -0.208 4.433 4.640 0.001 0.000 0.189 1034 D C 2.227 178.549 176.300 0.037 0.000 0.998 1034 D CA 1.857 55.893 54.000 0.060 0.000 0.839 1034 D CB -0.334 40.496 40.800 0.050 0.000 0.962 1034 D HN 0.578 nan 8.370 nan 0.000 0.446 1035 E N 0.267 120.482 120.200 0.024 0.000 2.171 1035 E HA -0.199 4.151 4.350 0.001 0.000 0.197 1035 E C 2.054 178.644 176.600 -0.016 0.000 0.997 1035 E CA 1.040 57.444 56.400 0.006 0.000 0.810 1035 E CB -0.158 29.545 29.700 0.006 0.000 0.738 1035 E HN 0.280 nan 8.360 nan 0.000 0.467 1036 A N 1.020 123.827 122.820 -0.022 0.000 1.873 1036 A HA -0.117 4.204 4.320 0.001 0.000 0.215 1036 A C 2.523 180.009 177.584 -0.163 0.000 1.186 1036 A CA 1.082 53.066 52.037 -0.088 0.000 0.616 1036 A CB -0.572 18.386 19.000 -0.071 0.000 0.823 1036 A HN 0.121 nan 8.150 nan 0.000 0.442 1037 V N -0.094 119.769 119.914 -0.086 0.000 2.515 1037 V HA -0.206 3.915 4.120 0.001 0.000 0.250 1037 V C 2.968 179.053 176.094 -0.016 0.000 1.058 1037 V CA 1.756 64.024 62.300 -0.053 0.000 1.064 1037 V CB -1.106 30.786 31.823 0.115 0.000 0.675 1037 V HN 0.599 nan 8.190 nan 0.000 0.461 1038 A N -0.102 122.717 122.820 -0.002 0.000 2.015 1038 A HA 0.006 4.327 4.320 0.001 0.000 0.219 1038 A C 2.382 179.961 177.584 -0.008 0.000 1.163 1038 A CA 1.708 53.751 52.037 0.009 0.000 0.646 1038 A CB -0.508 18.499 19.000 0.012 0.000 0.806 1038 A HN 0.540 nan 8.150 nan 0.000 0.448 1039 A N 0.135 122.933 122.820 -0.037 0.000 1.897 1039 A HA 0.006 4.327 4.320 0.001 0.000 0.215 1039 A C 1.948 179.511 177.584 -0.035 0.000 1.181 1039 A CA 1.397 53.409 52.037 -0.042 0.000 0.620 1039 A CB -0.409 18.554 19.000 -0.062 0.000 0.821 1039 A HN 0.388 nan 8.150 nan 0.000 0.443 1040 I N 0.303 120.843 120.570 -0.051 0.000 2.286 1040 I HA -0.185 3.986 4.170 0.001 0.000 0.248 1040 I C 2.432 178.596 176.117 0.078 0.000 1.115 1040 I CA 1.495 62.813 61.300 0.030 0.000 1.392 1040 I CB -1.280 36.719 38.000 -0.001 0.000 1.065 1040 I HN 0.439 nan 8.210 nan 0.000 0.418 1041 E N 1.609 121.842 120.200 0.055 0.000 2.160 1041 E HA -0.227 4.124 4.350 0.001 0.000 0.195 1041 E C 1.948 178.566 176.600 0.030 0.000 0.991 1041 E CA 1.145 57.581 56.400 0.060 0.000 0.810 1041 E CB 0.155 29.886 29.700 0.051 0.000 0.742 1041 E HN 0.341 nan 8.360 nan 0.000 0.466 1042 K N 0.751 121.156 120.400 0.008 0.000 2.001 1042 K HA -0.043 4.278 4.320 0.001 0.000 0.208 1042 K C 1.627 178.210 176.600 -0.028 0.000 1.048 1042 K CA 0.944 57.225 56.287 -0.010 0.000 0.932 1042 K CB -1.171 31.318 32.500 -0.018 0.000 0.715 1042 K HN 0.177 nan 8.250 nan 0.000 0.437 1043 S N 0.902 116.572 115.700 -0.049 0.000 2.569 1043 S HA 0.233 4.703 4.470 0.001 0.000 0.274 1043 S C 1.074 175.610 174.600 -0.106 0.000 1.353 1043 S CA 0.785 58.920 58.200 -0.108 0.000 1.023 1043 S CB 0.086 63.171 63.200 -0.191 0.000 0.876 1043 S HN 0.377 nan 8.310 nan 0.000 0.540 1044 E N -0.345 119.772 120.200 -0.139 0.000 2.526 1044 E HA 0.220 4.571 4.350 0.001 0.000 0.208 1044 E C 1.644 178.152 176.600 -0.154 0.000 0.997 1044 E CA 0.753 57.092 56.400 -0.100 0.000 0.961 1044 E CB -0.953 28.709 29.700 -0.064 0.000 1.030 1044 E HN 0.918 nan 8.360 nan 0.000 0.483 1045 T N -1.816 112.541 114.554 -0.329 0.000 2.929 1045 T HA -0.042 4.308 4.350 0.001 0.000 0.271 1045 T C 1.261 175.758 174.700 -0.338 0.000 1.085 1045 T CA 1.192 63.034 62.100 -0.430 0.000 1.125 1045 T CB -0.552 67.893 68.868 -0.705 0.000 0.874 1045 T HN 0.314 nan 8.240 nan 0.000 0.494 1046 F N 1.048 121.011 119.950 0.021 0.000 2.678 1046 F HA 0.487 5.015 4.527 0.001 0.000 0.305 1046 F C 0.201 176.012 175.800 0.019 0.000 1.090 1046 F CA -1.663 56.356 58.000 0.031 0.000 1.272 1046 F CB 0.240 39.277 39.000 0.062 0.000 1.060 1046 F HN 0.192 nan 8.300 nan 0.000 0.576 1047 D N 1.055 121.537 120.400 0.137 0.000 2.354 1047 D HA 0.201 4.842 4.640 0.001 0.000 0.230 1047 D C -2.868 173.457 176.300 0.041 0.000 1.361 1047 D CA -1.347 52.703 54.000 0.084 0.000 0.992 1047 D CB 1.540 42.392 40.800 0.087 0.000 1.409 1047 D HN -0.202 nan 8.370 nan 0.000 0.573 1048 P HA 0.173 nan 4.420 nan 0.000 0.276 1048 P C -0.490 176.844 177.300 0.056 0.000 1.235 1048 P CA -0.482 62.643 63.100 0.042 0.000 0.772 1048 P CB 0.970 32.690 31.700 0.034 0.000 0.871 1049 M N 2.496 122.142 119.600 0.077 0.000 2.077 1049 M HA 0.328 4.809 4.480 0.001 0.000 0.348 1049 M C 0.340 176.683 176.300 0.072 0.000 1.252 1049 M CA -0.348 55.017 55.300 0.109 0.000 1.096 1049 M CB 0.305 32.994 32.600 0.149 0.000 1.568 1049 M HN 0.335 nan 8.290 nan 0.000 0.456 1050 K N 3.976 124.415 120.400 0.064 0.000 2.382 1050 K HA 0.520 4.840 4.320 0.001 0.000 0.275 1050 K C -1.086 175.541 176.600 0.045 0.000 1.009 1050 K CA -0.360 55.956 56.287 0.049 0.000 0.970 1050 K CB 0.492 33.016 32.500 0.040 0.000 0.934 1050 K HN 0.649 nan 8.250 nan 0.000 0.479 1051 V N 4.596 124.527 119.914 0.029 0.000 2.588 1051 V HA 0.375 4.496 4.120 0.001 0.000 0.304 1051 V C -2.469 173.632 176.094 0.012 0.000 1.042 1051 V CA -2.031 60.273 62.300 0.008 0.000 0.877 1051 V CB 1.877 33.678 31.823 -0.036 0.000 0.996 1051 V HN 0.830 nan 8.190 nan 0.000 0.425 1052 P HA 0.088 nan 4.420 nan 0.000 0.266 1052 P C -0.287 177.036 177.300 0.039 0.000 1.195 1052 P CA 0.009 63.127 63.100 0.030 0.000 0.768 1052 P CB 0.357 32.077 31.700 0.033 0.000 0.838 1053 D N 1.453 121.882 120.400 0.049 0.000 2.341 1053 D HA -0.025 4.616 4.640 0.001 0.000 0.235 1053 D C 0.232 176.603 176.300 0.118 0.000 1.265 1053 D CA 1.059 55.099 54.000 0.066 0.000 0.888 1053 D CB 0.184 41.017 40.800 0.055 0.000 1.192 1053 D HN 0.505 nan 8.370 nan 0.000 0.462 1054 H N -1.387 117.682 119.070 -0.002 0.000 3.086 1054 H HA 0.257 4.814 4.556 0.001 0.000 0.353 1054 H C -1.670 173.676 175.328 0.029 0.000 1.134 1054 H CA -0.576 55.475 56.048 0.005 0.000 1.248 1054 H CB 1.356 31.108 29.762 -0.016 0.000 1.878 1054 H HN 0.349 nan 8.280 nan 0.000 0.527 1055 S N 4.428 119.800 115.700 -0.546 0.000 2.536 1055 S HA 0.524 4.994 4.470 0.001 0.000 0.287 1055 S C -1.169 173.176 174.600 -0.426 0.000 1.101 1055 S CA -0.880 57.134 58.200 -0.310 0.000 0.950 1055 S CB 2.996 66.112 63.200 -0.141 0.000 1.056 1055 S HN 0.646 nan 8.310 nan 0.000 0.481 1056 D N 0.284 120.605 120.400 -0.131 0.000 2.736 1056 D HA 0.530 5.170 4.640 0.001 0.000 0.223 1056 D C -0.995 175.339 176.300 0.058 0.000 1.231 1056 D CA -0.246 53.746 54.000 -0.013 0.000 0.818 1056 D CB 2.240 43.133 40.800 0.155 0.000 1.587 1056 D HN 0.862 nan 8.370 nan 0.000 0.463 1057 K N 1.290 121.701 120.400 0.019 0.000 2.164 1057 K HA 0.721 5.041 4.320 0.001 0.000 0.258 1057 K C -0.556 176.058 176.600 0.023 0.000 0.951 1057 K CA -0.408 55.827 56.287 -0.086 0.000 0.844 1057 K CB 0.807 33.249 32.500 -0.096 0.000 1.099 1057 K HN 0.382 nan 8.250 nan 0.000 0.435 1058 F N -2.172 117.793 119.950 0.025 0.000 2.849 1058 F HA 0.954 5.481 4.527 0.001 0.000 0.341 1058 F C 0.126 175.936 175.800 0.017 0.000 1.185 1058 F CA -0.515 57.498 58.000 0.021 0.000 1.007 1058 F CB 0.867 39.879 39.000 0.019 0.000 1.454 1058 F HN 0.858 nan 8.300 nan 0.000 0.518 1059 E N 0.113 120.565 120.200 0.421 0.000 2.470 1059 E HA 0.655 5.006 4.350 0.001 0.000 0.287 1059 E C -1.998 174.716 176.600 0.190 0.000 1.126 1059 E CA -1.168 55.381 56.400 0.249 0.000 0.902 1059 E CB 1.252 31.005 29.700 0.090 0.000 1.196 1059 E HN 0.869 nan 8.360 nan 0.000 0.430 1060 R N -0.318 120.269 120.500 0.146 0.000 2.522 1060 R HA 0.633 4.974 4.340 0.001 0.000 0.283 1060 R C -0.047 176.291 176.300 0.064 0.000 1.074 1060 R CA -0.363 55.788 56.100 0.086 0.000 0.925 1060 R CB 1.596 31.935 30.300 0.065 0.000 1.205 1060 R HN 1.047 nan 8.270 nan 0.000 0.436 1061 H N 1.934 121.031 119.070 0.046 0.000 3.901 1061 H HA 0.381 4.938 4.556 0.001 0.000 0.233 1061 H C 0.560 175.907 175.328 0.032 0.000 1.479 1061 H CA 0.687 56.757 56.048 0.036 0.000 1.555 1061 H CB -0.831 28.947 29.762 0.028 0.000 1.802 1061 H HN 0.581 nan 8.280 nan 0.000 0.666 1062 I N 2.392 122.985 120.570 0.037 0.000 2.206 1062 I HA 0.655 4.826 4.170 0.001 0.000 0.292 1062 I C 1.504 177.638 176.117 0.029 0.000 1.156 1062 I CA 0.292 61.611 61.300 0.033 0.000 1.356 1062 I CB -1.113 36.911 38.000 0.040 0.000 1.494 1062 I HN 1.626 nan 8.210 nan 0.000 0.601 1063 G N 2.092 110.906 108.800 0.024 0.000 3.138 1063 G HA2 0.211 4.171 3.960 0.001 0.000 0.247 1063 G HA3 0.211 4.171 3.960 0.001 0.000 0.247 1063 G C 0.738 175.649 174.900 0.019 0.000 1.642 1063 G CA 0.610 45.722 45.100 0.021 0.000 1.087 1063 G HN 2.187 nan 8.290 nan 0.000 0.558 1064 I N 0.702 121.283 120.570 0.019 0.000 3.399 1064 I HA 0.902 5.073 4.170 0.001 0.000 0.345 1064 I C 0.784 176.912 176.117 0.019 0.000 1.512 1064 I CA 0.591 61.901 61.300 0.017 0.000 1.047 1064 I CB -0.419 37.590 38.000 0.015 0.000 1.552 1064 I HN 2.288 nan 8.210 nan 0.000 0.494 1065 I N -1.379 119.204 120.570 0.022 0.000 2.752 1065 I HA 0.704 4.874 4.170 0.001 0.000 0.290 1065 I C -0.188 175.946 176.117 0.028 0.000 1.507 1065 I CA -0.077 61.237 61.300 0.024 0.000 1.038 1065 I CB 0.775 38.792 38.000 0.027 0.000 1.390 1065 I HN 0.649 nan 8.210 nan 0.000 0.435 1066 D N 4.166 124.581 120.400 0.025 0.000 2.994 1066 D HA 0.519 5.160 4.640 0.001 0.000 0.240 1066 D C 0.484 176.806 176.300 0.035 0.000 1.195 1066 D CA -0.277 53.740 54.000 0.029 0.000 0.957 1066 D CB 0.397 41.210 40.800 0.022 0.000 1.105 1066 D HN 1.824 nan 8.370 nan 0.000 0.477 1067 L N 0.358 121.608 121.223 0.046 0.000 2.951 1067 L HA 0.257 4.598 4.340 0.001 0.000 0.293 1067 L C 0.755 177.660 176.870 0.059 0.000 1.040 1067 L CA 0.398 55.273 54.840 0.059 0.000 1.005 1067 L CB -1.196 40.913 42.059 0.084 0.000 1.470 1067 L HN 0.445 nan 8.230 nan 0.000 0.446 1068 K N 3.598 124.007 120.400 0.015 0.000 2.139 1068 K HA 0.944 5.264 4.320 0.001 0.000 0.243 1068 K C 0.260 176.792 176.600 -0.114 0.000 0.983 1068 K CA -0.288 55.971 56.287 -0.047 0.000 0.890 1068 K CB 1.466 33.935 32.500 -0.050 0.000 1.090 1068 K HN 1.577 nan 8.250 nan 0.000 0.445 1069 G N -1.320 107.295 108.800 -0.309 0.000 2.322 1069 G HA2 0.566 4.527 3.960 0.001 0.000 0.289 1069 G HA3 0.566 4.527 3.960 0.001 0.000 0.289 1069 G C -0.732 173.606 174.900 -0.936 0.000 1.687 1069 G CA 0.532 45.391 45.100 -0.402 0.000 0.944 1069 G HN 1.253 nan 8.290 nan 0.000 0.718 1070 E N -1.604 118.281 120.200 -0.525 0.000 2.404 1070 E HA 1.176 5.527 4.350 0.001 0.000 0.264 1070 E C -0.300 176.280 176.600 -0.034 0.000 0.946 1070 E CA -0.153 55.984 56.400 -0.438 0.000 0.806 1070 E CB 1.493 31.056 29.700 -0.229 0.000 1.334 1070 E HN 2.533 nan 8.360 nan 0.000 0.429 1071 L N 0.117 121.418 121.223 0.129 0.000 2.622 1071 L HA 0.875 5.215 4.340 0.001 0.000 0.258 1071 L C -1.500 175.476 176.870 0.178 0.000 0.996 1071 L CA -0.491 54.489 54.840 0.233 0.000 0.858 1071 L CB 1.785 44.081 42.059 0.395 0.000 1.449 1071 L HN 1.100 nan 8.230 nan 0.000 0.411 1072 D N 0.269 120.770 120.400 0.168 0.000 2.819 1072 D HA 0.700 5.341 4.640 0.001 0.000 0.232 1072 D C -0.720 175.683 176.300 0.172 0.000 1.160 1072 D CA -0.419 53.659 54.000 0.131 0.000 0.858 1072 D CB 1.535 42.373 40.800 0.064 0.000 1.610 1072 D HN 0.763 nan 8.370 nan 0.000 0.481 1073 M N 1.025 120.726 119.600 0.168 0.000 2.300 1073 M HA 0.786 5.266 4.480 0.001 0.000 0.348 1073 M C 0.272 176.651 176.300 0.132 0.000 1.151 1073 M CA -0.298 55.106 55.300 0.173 0.000 1.046 1073 M CB 1.846 34.464 32.600 0.028 0.000 1.647 1073 M HN 0.668 nan 8.290 nan 0.000 0.451 1074 R N 0.795 121.397 120.500 0.170 0.000 2.808 1074 R HA 0.645 4.986 4.340 0.001 0.000 0.272 1074 R C -0.193 176.200 176.300 0.154 0.000 0.995 1074 R CA -0.818 55.359 56.100 0.128 0.000 0.917 1074 R CB 0.193 30.557 30.300 0.106 0.000 1.217 1074 R HN 0.843 nan 8.270 nan 0.000 0.471 1075 N N -0.427 118.339 118.700 0.111 0.000 2.740 1075 N HA -0.134 4.607 4.740 0.001 0.000 0.248 1075 N C -0.541 175.058 175.510 0.149 0.000 1.062 1075 N CA 1.051 54.168 53.050 0.112 0.000 0.704 1075 N CB -1.524 37.029 38.487 0.109 0.000 0.968 1075 N HN 0.737 nan 8.380 nan 0.000 0.547 1076 I N 0.521 121.161 120.570 0.116 0.000 2.533 1076 I HA 0.022 4.193 4.170 0.001 0.000 0.284 1076 I C 0.544 176.712 176.117 0.085 0.000 1.109 1076 I CA 0.495 61.855 61.300 0.100 0.000 1.412 1076 I CB 0.512 38.488 38.000 -0.040 0.000 1.396 1076 I HN 0.105 nan 8.210 nan 0.000 0.543 1077 Q N 5.503 125.375 119.800 0.119 0.000 2.271 1077 Q HA 0.435 4.776 4.340 0.001 0.000 0.268 1077 Q C -1.282 174.761 176.000 0.072 0.000 1.021 1077 Q CA -0.723 55.129 55.803 0.081 0.000 0.802 1077 Q CB 3.178 31.965 28.738 0.080 0.000 1.282 1077 Q HN 0.407 nan 8.270 nan 0.000 0.431 1078 V N 1.548 121.480 119.914 0.030 0.000 2.607 1078 V HA 0.833 4.954 4.120 0.001 0.000 0.289 1078 V C 0.384 176.479 176.094 0.001 0.000 1.053 1078 V CA -0.284 62.012 62.300 -0.008 0.000 0.996 1078 V CB 1.068 32.856 31.823 -0.059 0.000 0.995 1078 V HN 0.864 nan 8.190 nan 0.000 0.476 1079 R N 1.690 122.179 120.500 -0.017 0.000 2.771 1079 R HA 0.721 5.061 4.340 0.001 0.000 0.274 1079 R C 0.833 177.112 176.300 -0.035 0.000 0.987 1079 R CA 0.033 56.129 56.100 -0.007 0.000 0.908 1079 R CB 1.251 31.561 30.300 0.016 0.000 1.213 1079 R HN 2.059 nan 8.270 nan 0.000 0.468 1080 G N -0.250 108.541 108.800 -0.015 0.000 2.176 1080 G HA2 -0.181 3.780 3.960 0.001 0.000 0.232 1080 G HA3 -0.181 3.780 3.960 0.001 0.000 0.232 1080 G C 0.842 175.730 174.900 -0.019 0.000 0.986 1080 G CA 0.375 45.466 45.100 -0.015 0.000 0.643 1080 G HN 0.764 nan 8.290 nan 0.000 0.522 1081 L N 0.085 121.293 121.223 -0.024 0.000 2.610 1081 L HA 0.180 4.521 4.340 0.001 0.000 0.232 1081 L C 2.861 179.792 176.870 0.101 0.000 1.149 1081 L CA 1.375 56.224 54.840 0.013 0.000 0.872 1081 L CB -0.366 41.703 42.059 0.017 0.000 0.992 1081 L HN 0.431 nan 8.230 nan 0.000 0.447 1082 K N -0.157 120.292 120.400 0.082 0.000 2.487 1082 K HA 0.021 4.342 4.320 0.001 0.000 0.192 1082 K C 1.378 178.029 176.600 0.085 0.000 1.027 1082 K CA 0.550 56.891 56.287 0.089 0.000 1.054 1082 K CB -0.199 32.340 32.500 0.064 0.000 0.824 1082 K HN 0.459 nan 8.250 nan 0.000 0.510 1083 Q N 0.070 119.922 119.800 0.087 0.000 2.141 1083 Q HA 0.271 4.612 4.340 0.001 0.000 0.248 1083 Q C -0.253 175.817 176.000 0.117 0.000 0.834 1083 Q CA -0.306 55.549 55.803 0.087 0.000 1.096 1083 Q CB 0.358 29.136 28.738 0.067 0.000 1.189 1083 Q HN 0.756 nan 8.270 nan 0.000 0.471 1084 M N -0.730 118.963 119.600 0.156 0.000 2.094 1084 M HA 0.432 4.912 4.480 0.001 0.000 0.348 1084 M C -0.574 175.833 176.300 0.177 0.000 1.267 1084 M CA -0.178 55.243 55.300 0.201 0.000 1.125 1084 M CB 0.737 33.516 32.600 0.298 0.000 1.527 1084 M HN -0.249 nan 8.290 nan 0.000 0.447 1085 K N 2.078 122.562 120.400 0.139 0.000 2.416 1085 K HA 0.540 4.861 4.320 0.001 0.000 0.244 1085 K C -0.457 176.209 176.600 0.110 0.000 1.044 1085 K CA -1.010 55.347 56.287 0.116 0.000 0.972 1085 K CB 1.439 33.991 32.500 0.087 0.000 1.286 1085 K HN 0.662 nan 8.250 nan 0.000 0.500 1086 R N 1.087 121.643 120.500 0.093 0.000 2.265 1086 R HA 0.197 4.538 4.340 0.001 0.000 0.314 1086 R C -1.162 175.172 176.300 0.056 0.000 1.053 1086 R CA -0.345 55.802 56.100 0.078 0.000 0.931 1086 R CB 0.626 30.974 30.300 0.081 0.000 1.024 1086 R HN 0.225 nan 8.270 nan 0.000 0.457 1087 V N 5.516 125.454 119.914 0.039 0.000 2.318 1087 V HA 0.478 4.598 4.120 0.001 0.000 0.271 1087 V C 0.691 176.799 176.094 0.023 0.000 1.030 1087 V CA 0.404 62.721 62.300 0.028 0.000 0.844 1087 V CB 0.328 32.159 31.823 0.014 0.000 1.015 1087 V HN 1.132 nan 8.190 nan 0.000 0.460 1088 G N 4.583 113.400 108.800 0.028 0.000 2.795 1088 G HA2 -0.142 3.819 3.960 0.001 0.000 0.664 1088 G HA3 -0.142 3.819 3.960 0.001 0.000 0.664 1088 G C -0.721 174.204 174.900 0.043 0.000 1.381 1088 G CA -0.662 44.455 45.100 0.028 0.000 0.853 1088 G HN 0.594 nan 8.290 nan 0.000 0.545 1089 D N 0.290 120.719 120.400 0.049 0.000 2.329 1089 D HA 0.541 5.182 4.640 0.001 0.000 0.246 1089 D C 1.003 177.356 176.300 0.089 0.000 1.111 1089 D CA 0.764 54.808 54.000 0.073 0.000 0.941 1089 D CB 1.285 42.138 40.800 0.088 0.000 1.169 1089 D HN 1.005 nan 8.370 nan 0.000 0.441 1090 A N 1.619 124.506 122.820 0.111 0.000 2.454 1090 A HA 0.100 4.421 4.320 0.001 0.000 0.260 1090 A C 0.240 177.931 177.584 0.179 0.000 1.106 1090 A CA -0.182 51.933 52.037 0.129 0.000 0.780 1090 A CB -0.270 18.802 19.000 0.120 0.000 1.044 1090 A HN 0.488 nan 8.150 nan 0.000 0.498 1091 N N 2.052 120.860 118.700 0.181 0.000 2.469 1091 N HA 0.349 5.089 4.740 0.001 0.000 0.239 1091 N C -0.776 174.892 175.510 0.263 0.000 1.053 1091 N CA -0.382 52.798 53.050 0.217 0.000 0.937 1091 N CB 1.116 39.668 38.487 0.108 0.000 1.163 1091 N HN 0.411 nan 8.380 nan 0.000 0.509 1092 V N 2.364 122.474 119.914 0.327 0.000 2.716 1092 V HA 0.434 4.554 4.120 0.001 0.000 0.304 1092 V C 0.214 176.440 176.094 0.220 0.000 1.053 1092 V CA -0.410 62.022 62.300 0.220 0.000 0.984 1092 V CB 1.685 33.582 31.823 0.125 0.000 1.021 1092 V HN 0.603 nan 8.190 nan 0.000 0.467 1093 K N 1.525 122.023 120.400 0.163 0.000 2.542 1093 K HA 0.543 4.864 4.320 0.001 0.000 0.259 1093 K C -1.421 175.235 176.600 0.093 0.000 0.932 1093 K CA -0.355 56.025 56.287 0.155 0.000 0.820 1093 K CB 2.137 34.726 32.500 0.149 0.000 1.345 1093 K HN 0.674 nan 8.250 nan 0.000 0.432 1094 S N 2.423 118.163 115.700 0.068 0.000 2.478 1094 S HA 0.443 4.914 4.470 0.001 0.000 0.312 1094 S C -1.429 173.191 174.600 0.034 0.000 1.094 1094 S CA -0.562 57.652 58.200 0.023 0.000 1.081 1094 S CB 0.991 64.169 63.200 -0.037 0.000 1.007 1094 S HN 0.534 nan 8.310 nan 0.000 0.475 1095 E N 2.421 122.640 120.200 0.031 0.000 2.272 1095 E HA 0.244 4.594 4.350 0.001 0.000 0.269 1095 E C -0.718 175.894 176.600 0.020 0.000 0.877 1095 E CA -0.438 55.981 56.400 0.032 0.000 0.755 1095 E CB 1.546 31.272 29.700 0.043 0.000 1.192 1095 E HN 0.788 nan 8.360 nan 0.000 0.422 1096 D N 1.888 122.297 120.400 0.017 0.000 2.860 1096 D HA -0.256 4.384 4.640 0.001 0.000 0.229 1096 D C 0.891 177.193 176.300 0.003 0.000 1.169 1096 D CA 1.540 55.547 54.000 0.011 0.000 0.737 1096 D CB -0.919 39.889 40.800 0.014 0.000 1.080 1096 D HN 0.947 nan 8.370 nan 0.000 0.424 1097 G N -1.543 107.255 108.800 -0.003 0.000 2.176 1097 G HA2 -0.274 3.687 3.960 0.001 0.000 0.253 1097 G HA3 -0.274 3.687 3.960 0.001 0.000 0.253 1097 G C 0.228 175.123 174.900 -0.008 0.000 0.979 1097 G CA 0.291 45.384 45.100 -0.012 0.000 0.641 1097 G HN 0.821 nan 8.290 nan 0.000 0.530 1098 V N 1.321 121.236 119.914 0.002 0.000 2.435 1098 V HA 0.712 4.832 4.120 0.001 0.000 0.290 1098 V C 0.329 176.432 176.094 0.015 0.000 1.030 1098 V CA -0.682 61.623 62.300 0.008 0.000 0.881 1098 V CB 1.813 33.645 31.823 0.015 0.000 0.983 1098 V HN 0.461 nan 8.190 nan 0.000 0.445 1099 V N 6.709 126.630 119.914 0.013 0.000 2.432 1099 V HA 0.608 4.729 4.120 0.001 0.000 0.275 1099 V C 0.564 176.686 176.094 0.046 0.000 1.043 1099 V CA -0.098 62.216 62.300 0.024 0.000 0.925 1099 V CB 1.058 32.886 31.823 0.009 0.000 0.985 1099 V HN 1.043 nan 8.190 nan 0.000 0.466 1100 K N 2.809 123.256 120.400 0.077 0.000 2.182 1100 K HA 0.916 5.236 4.320 0.001 0.000 0.262 1100 K C -0.317 176.376 176.600 0.156 0.000 0.957 1100 K CA -0.142 56.209 56.287 0.106 0.000 0.842 1100 K CB 1.872 34.462 32.500 0.150 0.000 1.099 1100 K HN 1.296 nan 8.250 nan 0.000 0.438 1101 A N 2.238 125.130 122.820 0.120 0.000 2.393 1101 A HA 0.713 5.034 4.320 0.001 0.000 0.306 1101 A C -1.397 176.236 177.584 0.081 0.000 1.050 1101 A CA -0.598 51.534 52.037 0.159 0.000 0.724 1101 A CB 0.812 19.872 19.000 0.099 0.000 1.248 1101 A HN 0.864 nan 8.150 nan 0.000 0.424 1102 H N 0.798 119.896 119.070 0.046 0.000 2.489 1102 H HA 0.755 5.311 4.556 0.001 0.000 0.343 1102 H C -0.625 174.713 175.328 0.016 0.000 1.086 1102 H CA -0.239 55.820 56.048 0.019 0.000 1.198 1102 H CB 1.363 31.131 29.762 0.009 0.000 1.490 1102 H HN 0.549 nan 8.280 nan 0.000 0.504 1103 L N 2.028 123.289 121.223 0.063 0.000 2.301 1103 L HA 0.586 4.927 4.340 0.001 0.000 0.249 1103 L C -1.089 175.767 176.870 -0.023 0.000 1.069 1103 L CA -0.687 54.175 54.840 0.036 0.000 0.865 1103 L CB 1.600 43.684 42.059 0.042 0.000 1.467 1103 L HN 0.429 nan 8.230 nan 0.000 0.419 1104 L N 0.823 122.030 121.223 -0.026 0.000 2.439 1104 L HA 0.685 5.025 4.340 0.001 0.000 0.270 1104 L C -1.456 175.384 176.870 -0.049 0.000 0.972 1104 L CA -0.643 54.153 54.840 -0.073 0.000 0.836 1104 L CB 2.091 44.116 42.059 -0.057 0.000 1.255 1104 L HN 0.141 nan 8.230 nan 0.000 0.404 1105 V N 1.925 121.781 119.914 -0.096 0.000 2.444 1105 V HA 0.930 5.050 4.120 0.001 0.000 0.294 1105 V C 0.274 176.343 176.094 -0.042 0.000 1.022 1105 V CA -0.282 62.010 62.300 -0.014 0.000 0.850 1105 V CB 1.497 33.345 31.823 0.042 0.000 0.992 1105 V HN 0.926 nan 8.190 nan 0.000 0.426 1106 G N 2.617 111.447 108.800 0.049 0.000 2.645 1106 G HA2 0.581 4.541 3.960 0.001 0.000 0.292 1106 G HA3 0.581 4.541 3.960 0.001 0.000 0.292 1106 G C -1.679 173.340 174.900 0.199 0.000 1.415 1106 G CA -0.525 44.636 45.100 0.102 0.000 0.785 1106 G HN 0.426 nan 8.290 nan 0.000 0.483 1107 V N 1.384 121.472 119.914 0.288 0.000 2.220 1107 V HA 0.615 4.736 4.120 0.001 0.000 0.265 1107 V C 0.749 176.938 176.094 0.158 0.000 1.078 1107 V CA -0.053 62.375 62.300 0.214 0.000 0.872 1107 V CB -0.509 31.442 31.823 0.213 0.000 1.121 1107 V HN 1.142 nan 8.190 nan 0.000 0.460 1108 H N 1.346 120.482 119.070 0.110 0.000 2.483 1108 H HA 0.566 5.123 4.556 0.001 0.000 0.338 1108 H C 0.859 176.226 175.328 0.065 0.000 1.152 1108 H CA -0.049 56.048 56.048 0.082 0.000 1.264 1108 H CB 0.830 30.628 29.762 0.060 0.000 1.510 1108 H HN 0.697 nan 8.280 nan 0.000 0.530 1109 D N 0.408 120.840 120.400 0.054 0.000 2.870 1109 D HA -0.141 4.500 4.640 0.001 0.000 0.228 1109 D C -0.734 175.593 176.300 0.045 0.000 1.147 1109 D CA 1.624 55.649 54.000 0.043 0.000 0.757 1109 D CB -0.874 39.948 40.800 0.037 0.000 1.091 1109 D HN 0.821 nan 8.370 nan 0.000 0.429 1110 D N -1.704 118.728 120.400 0.053 0.000 2.851 1110 D HA 0.470 5.110 4.640 0.001 0.000 0.339 1110 D C -0.555 175.776 176.300 0.052 0.000 1.347 1110 D CA -0.351 53.678 54.000 0.049 0.000 0.888 1110 D CB 1.785 42.617 40.800 0.053 0.000 1.431 1110 D HN -0.066 nan 8.370 nan 0.000 0.509 1111 V N 0.685 120.623 119.914 0.040 0.000 2.888 1111 V HA 0.350 4.470 4.120 0.001 0.000 0.309 1111 V C -0.561 175.533 176.094 0.001 0.000 1.114 1111 V CA -0.790 61.529 62.300 0.032 0.000 0.940 1111 V CB 2.316 34.158 31.823 0.032 0.000 1.021 1111 V HN 0.350 nan 8.190 nan 0.000 0.426 1112 V N 2.934 122.831 119.914 -0.030 0.000 2.277 1112 V HA 0.360 4.480 4.120 0.001 0.000 0.269 1112 V C 0.338 176.397 176.094 -0.058 0.000 1.036 1112 V CA -0.046 62.189 62.300 -0.109 0.000 0.821 1112 V CB 1.144 32.788 31.823 -0.299 0.000 1.052 1112 V HN 0.914 nan 8.190 nan 0.000 0.462 1113 S N 5.299 120.992 115.700 -0.012 0.000 2.585 1113 S HA 0.587 5.057 4.470 0.001 0.000 0.277 1113 S C -0.142 174.506 174.600 0.080 0.000 1.241 1113 S CA -0.428 57.796 58.200 0.041 0.000 1.041 1113 S CB 1.262 64.491 63.200 0.048 0.000 0.987 1113 S HN 0.737 nan 8.310 nan 0.000 0.512 1114 M N 3.246 122.956 119.600 0.182 0.000 2.016 1114 M HA 0.279 4.759 4.480 0.001 0.000 0.315 1114 M C -1.067 175.460 176.300 0.379 0.000 0.930 1114 M CA -0.284 55.184 55.300 0.279 0.000 0.899 1114 M CB 0.384 33.237 32.600 0.422 0.000 1.401 1114 M HN 0.630 nan 8.290 nan 0.000 0.386 1115 E N 3.932 124.275 120.200 0.239 0.000 2.343 1115 E HA 0.497 4.847 4.350 0.001 0.000 0.269 1115 E C -1.525 175.253 176.600 0.296 0.000 1.047 1115 E CA -0.251 56.236 56.400 0.146 0.000 0.874 1115 E CB 1.030 30.773 29.700 0.073 0.000 1.033 1115 E HN 0.603 nan 8.360 nan 0.000 0.409 1116 Y N -1.864 118.483 120.300 0.078 0.000 2.687 1116 Y HA 0.302 4.852 4.550 0.001 0.000 0.338 1116 Y C -1.718 174.232 175.900 0.082 0.000 1.189 1116 Y CA -1.618 56.531 58.100 0.080 0.000 1.097 1116 Y CB 0.624 39.143 38.460 0.097 0.000 1.342 1116 Y HN 0.189 nan 8.280 nan 0.000 0.461 1117 D N 2.168 122.711 120.400 0.239 0.000 2.264 1117 D HA 0.484 5.125 4.640 0.001 0.000 0.250 1117 D C -1.030 175.424 176.300 0.255 0.000 1.113 1117 D CA 0.035 54.130 54.000 0.157 0.000 0.871 1117 D CB 1.904 42.778 40.800 0.123 0.000 1.167 1117 D HN 0.659 nan 8.370 nan 0.000 0.447 1118 L N 1.385 122.729 121.223 0.201 0.000 2.323 1118 L HA 0.855 5.195 4.340 0.001 0.000 0.265 1118 L C -1.463 175.539 176.870 0.220 0.000 1.012 1118 L CA -0.747 54.257 54.840 0.273 0.000 0.820 1118 L CB 1.912 44.155 42.059 0.307 0.000 1.334 1118 L HN 0.445 nan 8.230 nan 0.000 0.427 1119 A N 2.694 125.663 122.820 0.248 0.000 2.513 1119 A HA 0.692 5.013 4.320 0.001 0.000 0.296 1119 A C -1.949 175.773 177.584 0.230 0.000 1.052 1119 A CA -0.361 51.760 52.037 0.139 0.000 0.714 1119 A CB 0.818 19.856 19.000 0.063 0.000 1.279 1119 A HN 0.882 nan 8.150 nan 0.000 0.397 1120 Y N -1.470 118.885 120.300 0.092 0.000 2.609 1120 Y HA 0.902 5.453 4.550 0.001 0.000 0.342 1120 Y C -0.206 175.733 175.900 0.065 0.000 1.058 1120 Y CA -0.831 57.329 58.100 0.101 0.000 1.055 1120 Y CB 1.101 39.656 38.460 0.158 0.000 1.292 1120 Y HN 0.850 nan 8.280 nan 0.000 0.476 1121 K N 0.920 121.421 120.400 0.168 0.000 2.307 1121 K HA 0.876 5.197 4.320 0.001 0.000 0.263 1121 K C -1.437 175.240 176.600 0.129 0.000 0.973 1121 K CA -0.164 56.159 56.287 0.060 0.000 0.846 1121 K CB 0.751 33.252 32.500 0.001 0.000 1.100 1121 K HN 1.719 nan 8.250 nan 0.000 0.438 1122 L N 1.711 122.999 121.223 0.108 0.000 2.417 1122 L HA 0.781 5.122 4.340 0.001 0.000 0.259 1122 L C 1.336 178.246 176.870 0.066 0.000 1.023 1122 L CA 0.289 55.208 54.840 0.132 0.000 0.901 1122 L CB -0.033 42.149 42.059 0.206 0.000 1.227 1122 L HN 2.035 nan 8.230 nan 0.000 0.454 1123 G N 1.061 109.888 108.800 0.045 0.000 3.581 1123 G HA2 -0.243 3.717 3.960 0.001 0.000 0.336 1123 G HA3 -0.243 3.717 3.960 0.001 0.000 0.336 1123 G C 0.675 175.582 174.900 0.012 0.000 1.259 1123 G CA 1.675 46.791 45.100 0.026 0.000 1.001 1123 G HN 2.088 nan 8.290 nan 0.000 0.662 1124 D N -0.653 119.754 120.400 0.012 0.000 2.500 1124 D HA 0.737 5.377 4.640 0.001 0.000 0.217 1124 D C 1.244 177.539 176.300 -0.008 0.000 1.159 1124 D CA 1.128 55.129 54.000 0.001 0.000 0.828 1124 D CB -0.077 40.725 40.800 0.002 0.000 1.039 1124 D HN 1.809 nan 8.370 nan 0.000 0.512 1125 L N 0.503 121.723 121.223 -0.005 0.000 2.281 1125 L HA 0.783 5.124 4.340 0.001 0.000 0.285 1125 L C 0.505 177.329 176.870 -0.077 0.000 1.074 1125 L CA -0.122 54.701 54.840 -0.028 0.000 0.817 1125 L CB -0.735 41.321 42.059 -0.005 0.000 1.168 1125 L HN 0.762 nan 8.230 nan 0.000 0.434 1126 H N 2.747 121.757 119.070 -0.101 0.000 2.360 1126 H HA 0.683 5.240 4.556 0.001 0.000 0.233 1126 H C -2.354 172.858 175.328 -0.192 0.000 1.473 1126 H CA -1.186 54.778 56.048 -0.141 0.000 1.352 1126 H CB -0.205 29.509 29.762 -0.080 0.000 1.493 1126 H HN 0.860 nan 8.280 nan 0.000 0.533 1127 P HA 0.284 nan 4.420 nan 0.000 0.278 1127 P C -1.017 176.115 177.300 -0.279 0.000 1.238 1127 P CA -0.488 62.418 63.100 -0.323 0.000 0.794 1127 P CB 1.485 32.932 31.700 -0.423 0.000 0.955 1128 N N 0.063 118.694 118.700 -0.115 0.000 2.448 1128 N HA 0.462 5.203 4.740 0.001 0.000 0.279 1128 N C -0.568 174.952 175.510 0.017 0.000 1.025 1128 N CA -0.252 52.779 53.050 -0.032 0.000 0.898 1128 N CB 1.789 40.267 38.487 -0.015 0.000 1.303 1128 N HN 0.394 nan 8.380 nan 0.000 0.495 1129 T N -0.390 114.203 114.554 0.066 0.000 2.669 1129 T HA 0.707 5.058 4.350 0.001 0.000 0.283 1129 T C -1.254 173.479 174.700 0.054 0.000 1.019 1129 T CA -0.287 61.854 62.100 0.068 0.000 1.039 1129 T CB 0.232 69.163 68.868 0.105 0.000 1.374 1129 T HN 0.528 nan 8.240 nan 0.000 0.523 1130 H N -0.429 118.651 119.070 0.017 0.000 2.489 1130 H HA 0.836 5.393 4.556 0.001 0.000 0.343 1130 H C -0.676 174.581 175.328 -0.118 0.000 1.086 1130 H CA -0.621 55.401 56.048 -0.044 0.000 1.198 1130 H CB 1.085 30.829 29.762 -0.029 0.000 1.490 1130 H HN 0.623 nan 8.280 nan 0.000 0.504 1131 V N 3.254 122.969 119.914 -0.331 0.000 2.815 1131 V HA 0.564 4.685 4.120 0.001 0.000 0.314 1131 V C 0.053 175.861 176.094 -0.476 0.000 1.064 1131 V CA -0.547 61.481 62.300 -0.454 0.000 0.952 1131 V CB 1.769 33.160 31.823 -0.721 0.000 1.020 1131 V HN 0.897 nan 8.190 nan 0.000 0.439 1132 I N 2.236 122.682 120.570 -0.207 0.000 2.503 1132 I HA 0.310 4.481 4.170 0.001 0.000 0.282 1132 I C -0.474 175.636 176.117 -0.012 0.000 1.059 1132 I CA -0.011 61.258 61.300 -0.052 0.000 1.081 1132 I CB 1.911 39.947 38.000 0.059 0.000 1.210 1132 I HN 0.527 nan 8.210 nan 0.000 0.450 1133 S N 4.649 120.338 115.700 -0.018 0.000 2.429 1133 S HA 0.361 4.831 4.470 0.001 0.000 0.302 1133 S C -0.612 173.928 174.600 -0.100 0.000 1.115 1133 S CA -0.760 57.336 58.200 -0.174 0.000 1.095 1133 S CB 0.972 63.907 63.200 -0.442 0.000 0.987 1133 S HN 0.389 nan 8.310 nan 0.000 0.474 1134 D N 2.515 122.834 120.400 -0.134 0.000 2.198 1134 D HA 0.382 5.023 4.640 0.001 0.000 0.245 1134 D C -0.218 176.027 176.300 -0.091 0.000 1.079 1134 D CA -0.162 53.806 54.000 -0.054 0.000 0.854 1134 D CB 1.306 42.113 40.800 0.012 0.000 1.148 1134 D HN 0.365 nan 8.370 nan 0.000 0.456 1135 I N 1.998 122.534 120.570 -0.057 0.000 2.362 1135 I HA 0.129 4.300 4.170 0.001 0.000 0.289 1135 I C 0.355 176.497 176.117 0.043 0.000 0.994 1135 I CA -0.618 60.649 61.300 -0.056 0.000 1.158 1135 I CB 1.364 39.261 38.000 -0.172 0.000 1.315 1135 I HN -0.007 nan 8.210 nan 0.000 0.451 1136 Q N 5.267 125.111 119.800 0.073 0.000 2.256 1136 Q HA 0.211 4.552 4.340 0.001 0.000 0.257 1136 Q C -1.027 175.057 176.000 0.140 0.000 0.936 1136 Q CA -0.580 55.279 55.803 0.093 0.000 0.903 1136 Q CB 1.562 30.337 28.738 0.063 0.000 1.263 1136 Q HN 0.523 nan 8.270 nan 0.000 0.440 1137 D N 2.022 122.507 120.400 0.141 0.000 2.872 1137 D HA -0.208 4.433 4.640 0.001 0.000 0.248 1137 D C -0.962 175.458 176.300 0.200 0.000 1.104 1137 D CA 0.680 54.762 54.000 0.137 0.000 0.784 1137 D CB -1.157 39.694 40.800 0.085 0.000 1.036 1137 D HN 0.425 nan 8.370 nan 0.000 0.426 1138 F N 1.085 121.097 119.950 0.103 0.000 2.472 1138 F HA 0.392 4.920 4.527 0.000 0.000 0.364 1138 F C -0.198 175.647 175.800 0.075 0.000 1.090 1138 F CA -0.192 57.894 58.000 0.144 0.000 1.188 1138 F CB 0.722 39.797 39.000 0.126 0.000 1.105 1138 F HN -0.082 nan 8.300 nan 0.000 0.536 1139 V N 6.362 125.932 119.914 -0.573 0.000 2.876 1139 V HA 0.575 4.695 4.120 0.001 0.000 0.312 1139 V C -0.914 174.760 176.094 -0.701 0.000 1.085 1139 V CA -0.962 61.033 62.300 -0.507 0.000 0.945 1139 V CB 1.987 33.658 31.823 -0.253 0.000 1.017 1139 V HN 0.544 nan 8.190 nan 0.000 0.428 1140 V N 2.364 121.938 119.914 -0.567 0.000 2.588 1140 V HA 0.455 4.576 4.120 0.001 0.000 0.304 1140 V C -0.413 175.362 176.094 -0.532 0.000 1.042 1140 V CA -0.655 61.246 62.300 -0.665 0.000 0.877 1140 V CB 1.997 33.364 31.823 -0.760 0.000 0.996 1140 V HN 0.913 nan 8.190 nan 0.000 0.425 1141 E N 5.278 125.150 120.200 -0.546 0.000 2.081 1141 E HA 0.475 4.826 4.350 0.001 0.000 0.281 1141 E C -1.078 175.279 176.600 -0.406 0.000 0.986 1141 E CA -0.364 55.817 56.400 -0.365 0.000 0.796 1141 E CB 2.168 31.714 29.700 -0.256 0.000 1.085 1141 E HN 0.461 nan 8.360 nan 0.000 0.398 1142 L N 1.840 122.895 121.223 -0.280 0.000 2.322 1142 L HA 0.367 4.708 4.340 0.001 0.000 0.279 1142 L C -0.038 176.724 176.870 -0.180 0.000 1.036 1142 L CA -0.503 54.220 54.840 -0.195 0.000 0.807 1142 L CB 1.637 43.643 42.059 -0.088 0.000 1.226 1142 L HN 0.394 nan 8.230 nan 0.000 0.433 1143 S N 3.861 119.458 115.700 -0.172 0.000 2.707 1143 S HA 0.626 5.096 4.470 0.001 0.000 0.303 1143 S C -0.601 173.918 174.600 -0.134 0.000 1.132 1143 S CA -0.523 57.499 58.200 -0.297 0.000 1.046 1143 S CB 1.273 64.276 63.200 -0.328 0.000 1.004 1143 S HN 0.335 nan 8.310 nan 0.000 0.483 1144 L N 2.358 123.516 121.223 -0.108 0.000 2.303 1144 L HA 0.706 5.047 4.340 0.001 0.000 0.266 1144 L C -0.124 176.737 176.870 -0.014 0.000 1.011 1144 L CA -0.689 54.137 54.840 -0.023 0.000 0.818 1144 L CB 1.854 43.924 42.059 0.018 0.000 1.326 1144 L HN 0.553 nan 8.230 nan 0.000 0.435 1145 E N 0.665 120.869 120.200 0.008 0.000 2.274 1145 E HA 0.430 4.781 4.350 0.001 0.000 0.269 1145 E C -1.905 174.706 176.600 0.018 0.000 0.891 1145 E CA -0.515 55.894 56.400 0.015 0.000 0.784 1145 E CB 2.279 31.986 29.700 0.012 0.000 1.225 1145 E HN 0.276 nan 8.360 nan 0.000 0.412 1146 V N 4.356 124.281 119.914 0.019 0.000 2.313 1146 V HA 0.252 4.373 4.120 0.001 0.000 0.278 1146 V C 0.367 176.466 176.094 0.009 0.000 1.017 1146 V CA -0.626 61.683 62.300 0.014 0.000 0.823 1146 V CB 0.790 32.622 31.823 0.014 0.000 1.010 1146 V HN 0.766 nan 8.190 nan 0.000 0.443 1147 S N 3.096 118.800 115.700 0.008 0.000 2.596 1147 S HA 0.198 4.669 4.470 0.001 0.000 0.260 1147 S C 0.920 175.520 174.600 -0.000 0.000 1.336 1147 S CA -0.382 57.821 58.200 0.004 0.000 0.993 1147 S CB 0.809 64.012 63.200 0.005 0.000 0.923 1147 S HN 0.723 nan 8.310 nan 0.000 0.567 1148 E N 0.490 120.688 120.200 -0.003 0.000 2.265 1148 E HA -0.146 4.204 4.350 0.001 0.000 0.196 1148 E C 1.331 177.927 176.600 -0.006 0.000 0.996 1148 E CA 1.190 57.586 56.400 -0.007 0.000 0.832 1148 E CB -0.156 29.540 29.700 -0.008 0.000 0.756 1148 E HN 0.688 nan 8.360 nan 0.000 0.491 1149 E N -0.496 119.702 120.200 -0.003 0.000 2.427 1149 E HA 0.009 4.359 4.350 0.001 0.000 0.196 1149 E C 1.136 177.734 176.600 -0.003 0.000 1.028 1149 E CA 0.680 57.078 56.400 -0.003 0.000 0.864 1149 E CB 0.183 29.882 29.700 -0.002 0.000 0.813 1149 E HN 0.353 nan 8.360 nan 0.000 0.514 1150 G N 0.649 109.448 108.800 -0.001 0.000 2.131 1150 G HA2 -0.244 3.716 3.960 0.001 0.000 0.223 1150 G HA3 -0.244 3.716 3.960 0.001 0.000 0.223 1150 G C -0.310 174.592 174.900 0.004 0.000 0.990 1150 G CA -0.258 44.842 45.100 0.000 0.000 0.671 1150 G HN 0.156 nan 8.290 nan 0.000 0.521 1151 N N 0.477 119.180 118.700 0.005 0.000 2.422 1151 N HA 0.385 5.126 4.740 0.001 0.000 0.264 1151 N C 0.182 175.699 175.510 0.012 0.000 1.063 1151 N CA -0.096 52.959 53.050 0.007 0.000 0.959 1151 N CB 1.226 39.717 38.487 0.006 0.000 1.087 1151 N HN 0.468 nan 8.380 nan 0.000 0.483 1152 M N 2.585 122.194 119.600 0.015 0.000 2.069 1152 M HA 0.153 4.634 4.480 0.001 0.000 0.349 1152 M C -0.473 175.842 176.300 0.024 0.000 1.194 1152 M CA -0.387 54.926 55.300 0.021 0.000 1.081 1152 M CB 0.148 32.763 32.600 0.026 0.000 1.500 1152 M HN 0.469 nan 8.290 nan 0.000 0.438 1153 T N 2.841 117.408 114.554 0.023 0.000 2.807 1153 T HA 0.428 4.779 4.350 0.001 0.000 0.279 1153 T C -0.513 174.203 174.700 0.028 0.000 0.993 1153 T CA -0.979 61.135 62.100 0.024 0.000 0.970 1153 T CB 1.516 70.395 68.868 0.017 0.000 0.950 1153 T HN 0.646 nan 8.240 nan 0.000 0.441 1154 L N 4.058 125.305 121.223 0.039 0.000 2.562 1154 L HA 0.260 4.601 4.340 0.001 0.000 0.271 1154 L C 1.341 178.227 176.870 0.028 0.000 1.167 1154 L CA 0.952 55.822 54.840 0.050 0.000 0.917 1154 L CB 0.097 42.201 42.059 0.076 0.000 1.187 1154 L HN 0.986 nan 8.230 nan 0.000 0.482 1155 T N 1.687 116.243 114.554 0.004 0.000 2.852 1155 T HA 0.072 4.422 4.350 0.001 0.000 0.256 1155 T C 0.486 175.181 174.700 -0.008 0.000 1.038 1155 T CA 0.962 63.054 62.100 -0.013 0.000 1.141 1155 T CB 0.004 68.841 68.868 -0.053 0.000 0.869 1155 T HN 0.591 nan 8.240 nan 0.000 0.439 1156 S N -0.640 115.053 115.700 -0.012 0.000 2.550 1156 S HA 0.643 5.114 4.470 0.001 0.000 0.270 1156 S C -2.360 172.268 174.600 0.047 0.000 1.145 1156 S CA -0.848 57.355 58.200 0.004 0.000 0.852 1156 S CB 1.371 64.545 63.200 -0.043 0.000 1.119 1156 S HN 0.243 nan 8.310 nan 0.000 0.465 1157 F N 1.607 121.489 119.950 -0.115 0.000 2.653 1157 F HA 0.651 5.179 4.527 0.001 0.000 0.327 1157 F C -0.581 175.124 175.800 -0.158 0.000 1.195 1157 F CA 0.462 58.364 58.000 -0.163 0.000 0.993 1157 F CB 1.243 40.140 39.000 -0.172 0.000 1.259 1157 F HN 0.795 nan 8.300 nan 0.000 0.478 1158 E N 3.677 123.594 120.200 -0.472 0.000 2.321 1158 E HA 0.639 4.989 4.350 0.001 0.000 0.278 1158 E C -1.993 174.328 176.600 -0.465 0.000 0.902 1158 E CA -0.796 55.421 56.400 -0.306 0.000 0.758 1158 E CB 2.050 31.632 29.700 -0.198 0.000 1.213 1158 E HN 0.470 nan 8.360 nan 0.000 0.426 1159 V N 3.730 123.444 119.914 -0.333 0.000 2.372 1159 V HA 0.317 4.438 4.120 0.001 0.000 0.261 1159 V C 0.875 176.732 176.094 -0.394 0.000 1.055 1159 V CA -0.392 61.675 62.300 -0.389 0.000 0.930 1159 V CB 0.374 32.081 31.823 -0.193 0.000 1.031 1159 V HN 0.801 nan 8.190 nan 0.000 0.479 1160 R N 4.141 124.396 120.500 -0.407 0.000 2.638 1160 R HA 0.031 4.372 4.340 0.001 0.000 0.268 1160 R C 0.752 176.807 176.300 -0.409 0.000 1.006 1160 R CA -0.102 55.799 56.100 -0.332 0.000 1.088 1160 R CB 0.436 30.576 30.300 -0.267 0.000 0.950 1160 R HN 0.867 nan 8.270 nan 0.000 0.419 1161 Q N 3.688 123.274 119.800 -0.357 0.000 2.263 1161 Q HA -0.017 4.324 4.340 0.001 0.000 0.289 1161 Q C -1.020 174.803 176.000 -0.294 0.000 1.061 1161 Q CA -0.140 55.403 55.803 -0.433 0.000 0.927 1161 Q CB 0.269 28.867 28.738 -0.233 0.000 1.154 1161 Q HN 0.307 nan 8.270 nan 0.000 0.378 1162 F N 1.829 121.801 119.950 0.038 0.000 2.604 1162 F HA -0.023 4.505 4.527 0.001 0.000 0.393 1162 F C 1.532 177.355 175.800 0.038 0.000 1.043 1162 F CA 0.368 58.410 58.000 0.070 0.000 1.227 1162 F CB -0.090 38.998 39.000 0.148 0.000 1.016 1162 F HN 0.856 nan 8.300 nan 0.000 0.556 1163 A N 2.225 125.165 122.820 0.200 0.000 1.978 1163 A HA -0.114 4.207 4.320 0.001 0.000 0.220 1163 A C 0.998 178.644 177.584 0.103 0.000 1.170 1163 A CA 1.682 53.783 52.037 0.106 0.000 0.636 1163 A CB -0.330 18.717 19.000 0.079 0.000 0.810 1163 A HN 0.761 nan 8.150 nan 0.000 0.448 1164 N N -2.997 115.786 118.700 0.138 0.000 3.265 1164 N HA 0.321 5.062 4.740 0.001 0.000 0.235 1164 N C -2.275 173.268 175.510 0.054 0.000 1.343 1164 N CA -0.219 52.879 53.050 0.080 0.000 0.904 1164 N CB 1.534 40.044 38.487 0.038 0.000 1.492 1164 N HN -0.084 nan 8.380 nan 0.000 0.504 1165 V N 1.607 121.507 119.914 -0.024 0.000 2.525 1165 V HA 0.440 4.561 4.120 0.001 0.000 0.299 1165 V C -0.415 175.562 176.094 -0.194 0.000 1.034 1165 V CA -0.722 61.488 62.300 -0.149 0.000 0.863 1165 V CB 1.834 33.504 31.823 -0.255 0.000 0.999 1165 V HN 0.415 nan 8.190 nan 0.000 0.423 1166 V N 5.421 125.201 119.914 -0.224 0.000 2.311 1166 V HA 0.389 4.510 4.120 0.001 0.000 0.275 1166 V C 0.037 175.865 176.094 -0.444 0.000 1.022 1166 V CA -0.701 61.438 62.300 -0.268 0.000 0.830 1166 V CB 1.241 32.927 31.823 -0.229 0.000 1.012 1166 V HN 0.828 nan 8.190 nan 0.000 0.452 1167 N N 4.068 122.569 118.700 -0.332 0.000 2.444 1167 N HA 0.306 5.046 4.740 0.001 0.000 0.271 1167 N C -0.451 174.964 175.510 -0.158 0.000 1.069 1167 N CA -0.315 52.566 53.050 -0.282 0.000 0.965 1167 N CB 0.919 39.258 38.487 -0.247 0.000 1.092 1167 N HN 0.574 nan 8.380 nan 0.000 0.476 1168 H N 2.532 121.628 119.070 0.043 0.000 2.643 1168 H HA 0.319 4.875 4.556 0.001 0.000 0.259 1168 H C 0.187 175.535 175.328 0.034 0.000 1.298 1168 H CA -0.348 55.728 56.048 0.046 0.000 1.301 1168 H CB 0.496 30.246 29.762 -0.019 0.000 1.422 1168 H HN 0.386 nan 8.280 nan 0.000 0.521 1169 I N 2.128 122.839 120.570 0.234 0.000 2.347 1169 I HA 0.082 4.253 4.170 0.001 0.000 0.294 1169 I C 1.359 177.545 176.117 0.114 0.000 1.090 1169 I CA -0.349 61.041 61.300 0.151 0.000 1.314 1169 I CB 0.601 38.725 38.000 0.206 0.000 1.423 1169 I HN 0.479 nan 8.210 nan 0.000 0.503 1170 G N 4.084 112.924 108.800 0.066 0.000 2.287 1170 G HA2 0.256 4.217 3.960 0.001 0.000 0.235 1170 G HA3 0.256 4.217 3.960 0.001 0.000 0.235 1170 G C 1.127 176.067 174.900 0.066 0.000 1.258 1170 G CA 0.302 45.430 45.100 0.047 0.000 0.884 1170 G HN 1.128 nan 8.290 nan 0.000 0.518 1171 G N 0.203 109.028 108.800 0.041 0.000 2.220 1171 G HA2 -0.209 3.751 3.960 0.001 0.000 0.269 1171 G HA3 -0.209 3.751 3.960 0.001 0.000 0.269 1171 G C 0.274 175.208 174.900 0.057 0.000 0.977 1171 G CA 0.883 46.011 45.100 0.045 0.000 0.634 1171 G HN 1.131 nan 8.290 nan 0.000 0.539 1172 L N 1.011 122.275 121.223 0.068 0.000 2.334 1172 L HA 0.842 5.182 4.340 0.001 0.000 0.276 1172 L C 0.312 177.160 176.870 -0.036 0.000 1.014 1172 L CA -0.264 54.619 54.840 0.072 0.000 0.815 1172 L CB 2.044 44.203 42.059 0.167 0.000 1.268 1172 L HN 0.244 nan 8.230 nan 0.000 0.428 1173 S N 3.419 119.066 115.700 -0.089 0.000 2.593 1173 S HA 0.360 4.831 4.470 0.001 0.000 0.297 1173 S C 1.184 175.537 174.600 -0.411 0.000 1.112 1173 S CA -0.654 57.414 58.200 -0.220 0.000 1.043 1173 S CB 0.782 63.907 63.200 -0.125 0.000 1.054 1173 S HN 0.746 nan 8.310 nan 0.000 0.516 1174 I N 3.684 123.892 120.570 -0.604 0.000 2.657 1174 I HA -0.093 4.077 4.170 0.001 0.000 0.261 1174 I C 0.902 176.882 176.117 -0.228 0.000 1.212 1174 I CA 1.393 62.275 61.300 -0.696 0.000 1.453 1174 I CB -0.036 37.679 38.000 -0.475 0.000 1.092 1174 I HN 0.690 nan 8.210 nan 0.000 0.452 1175 L N -0.054 121.079 121.223 -0.150 0.000 2.509 1175 L HA 0.076 4.416 4.340 0.001 0.000 0.222 1175 L C 0.340 177.202 176.870 -0.012 0.000 1.123 1175 L CA 0.054 54.861 54.840 -0.056 0.000 0.856 1175 L CB -0.425 41.604 42.059 -0.050 0.000 0.985 1175 L HN 0.109 nan 8.230 nan 0.000 0.456 1176 D N 1.210 121.605 120.400 -0.008 0.000 2.358 1176 D HA 0.056 4.697 4.640 0.001 0.000 0.258 1176 D C -1.437 174.915 176.300 0.087 0.000 1.223 1176 D CA -1.116 52.911 54.000 0.044 0.000 0.886 1176 D CB 1.642 42.480 40.800 0.063 0.000 1.120 1176 D HN -0.060 nan 8.370 nan 0.000 0.482 1177 P HA -0.197 nan 4.420 nan 0.000 0.217 1177 P C 1.523 178.865 177.300 0.070 0.000 1.151 1177 P CA 0.554 63.692 63.100 0.064 0.000 0.849 1177 P CB 0.283 32.012 31.700 0.048 0.000 0.787 1178 I N -1.789 118.826 120.570 0.076 0.000 2.315 1178 I HA -0.187 3.983 4.170 0.001 0.000 0.248 1178 I C 2.005 178.127 176.117 0.008 0.000 1.117 1178 I CA 0.923 62.248 61.300 0.042 0.000 1.404 1178 I CB -0.938 37.096 38.000 0.056 0.000 1.071 1178 I HN -0.188 nan 8.210 nan 0.000 0.419 1179 F N 1.756 121.660 119.950 -0.076 0.000 2.063 1179 F HA -0.399 4.128 4.527 0.001 0.000 0.298 1179 F C 2.429 178.161 175.800 -0.113 0.000 1.105 1179 F CA 2.359 60.299 58.000 -0.100 0.000 1.215 1179 F CB -1.020 37.940 39.000 -0.067 0.000 0.972 1179 F HN 0.165 nan 8.300 nan 0.000 0.483 1180 A N -0.267 122.539 122.820 -0.025 0.000 1.927 1180 A HA -0.231 4.090 4.320 0.001 0.000 0.220 1180 A C 2.311 179.746 177.584 -0.247 0.000 1.185 1180 A CA 2.619 54.581 52.037 -0.125 0.000 0.639 1180 A CB -1.492 17.504 19.000 -0.007 0.000 0.820 1180 A HN 0.342 nan 8.150 nan 0.000 0.451 1181 V N -0.179 119.603 119.914 -0.219 0.000 2.283 1181 V HA -0.223 3.898 4.120 0.001 0.000 0.243 1181 V C 2.556 178.387 176.094 -0.439 0.000 1.039 1181 V CA 1.813 63.944 62.300 -0.282 0.000 1.016 1181 V CB -0.852 30.850 31.823 -0.202 0.000 0.650 1181 V HN 0.563 nan 8.190 nan 0.000 0.449 1182 L N 0.088 121.044 121.223 -0.445 0.000 2.012 1182 L HA -0.207 4.134 4.340 0.001 0.000 0.210 1182 L C 2.791 179.368 176.870 -0.489 0.000 1.073 1182 L CA 2.032 56.581 54.840 -0.483 0.000 0.748 1182 L CB -0.726 41.048 42.059 -0.474 0.000 0.891 1182 L HN 0.415 nan 8.230 nan 0.000 0.431 1183 S N -0.448 114.852 115.700 -0.668 0.000 2.359 1183 S HA -0.247 4.224 4.470 0.001 0.000 0.224 1183 S C 1.729 176.085 174.600 -0.407 0.000 1.035 1183 S CA 1.713 59.511 58.200 -0.670 0.000 1.018 1183 S CB -0.276 62.282 63.200 -1.069 0.000 0.876 1183 S HN 0.398 nan 8.310 nan 0.000 0.448 1184 D N 0.273 120.460 120.400 -0.356 0.000 2.149 1184 D HA -0.083 4.558 4.640 0.001 0.000 0.198 1184 D C 2.042 178.212 176.300 -0.217 0.000 0.990 1184 D CA 1.348 55.203 54.000 -0.241 0.000 0.839 1184 D CB -0.184 40.490 40.800 -0.209 0.000 0.948 1184 D HN 0.338 nan 8.370 nan 0.000 0.460 1185 V N 1.211 120.950 119.914 -0.293 0.000 2.323 1185 V HA -0.181 3.940 4.120 0.001 0.000 0.244 1185 V C 2.694 178.719 176.094 -0.116 0.000 1.041 1185 V CA 0.899 63.054 62.300 -0.241 0.000 1.025 1185 V CB -0.411 31.146 31.823 -0.444 0.000 0.656 1185 V HN 0.172 nan 8.190 nan 0.000 0.451 1186 L N -0.031 121.109 121.223 -0.139 0.000 2.046 1186 L HA -0.182 4.159 4.340 0.001 0.000 0.208 1186 L C 2.649 179.492 176.870 -0.044 0.000 1.077 1186 L CA 2.040 56.848 54.840 -0.054 0.000 0.747 1186 L CB -1.122 40.884 42.059 -0.089 0.000 0.896 1186 L HN 0.359 nan 8.230 nan 0.000 0.432 1187 T N -0.137 114.335 114.554 -0.136 0.000 2.788 1187 T HA -0.134 4.217 4.350 0.001 0.000 0.268 1187 T C 2.016 176.765 174.700 0.082 0.000 1.044 1187 T CA 1.203 63.251 62.100 -0.087 0.000 1.139 1187 T CB -0.207 68.588 68.868 -0.123 0.000 0.867 1187 T HN 0.444 nan 8.240 nan 0.000 0.454 1188 A N 2.223 125.060 122.820 0.028 0.000 1.855 1188 A HA 0.003 4.324 4.320 0.001 0.000 0.215 1188 A C 2.275 179.908 177.584 0.081 0.000 1.191 1188 A CA 1.462 53.528 52.037 0.047 0.000 0.613 1188 A CB -0.798 18.204 19.000 0.004 0.000 0.829 1188 A HN 0.712 nan 8.150 nan 0.000 0.442 1189 I N -4.863 115.750 120.570 0.071 0.000 3.176 1189 I HA 0.018 4.189 4.170 0.001 0.000 0.275 1189 I C 1.928 178.068 176.117 0.039 0.000 1.298 1189 I CA 1.033 62.337 61.300 0.006 0.000 1.445 1189 I CB -0.239 37.719 38.000 -0.069 0.000 1.075 1189 I HN 0.126 nan 8.210 nan 0.000 0.482 1190 F N 1.756 121.694 119.950 -0.021 0.000 2.262 1190 F HA 0.065 4.593 4.527 0.001 0.000 0.292 1190 F C 2.505 178.456 175.800 0.252 0.000 1.081 1190 F CA 1.242 59.287 58.000 0.076 0.000 1.355 1190 F CB -0.067 38.974 39.000 0.067 0.000 1.069 1190 F HN 0.060 nan 8.300 nan 0.000 0.506 1191 Q N 0.019 120.030 119.800 0.352 0.000 2.482 1191 Q HA 0.041 4.382 4.340 0.001 0.000 0.209 1191 Q C 1.139 177.146 176.000 0.010 0.000 0.961 1191 Q CA 1.176 57.072 55.803 0.155 0.000 0.945 1191 Q CB -0.473 28.333 28.738 0.114 0.000 1.012 1191 Q HN 0.724 nan 8.270 nan 0.000 0.515 1192 D N -0.604 119.808 120.400 0.020 0.000 3.163 1192 D HA 0.011 4.652 4.640 0.001 0.000 0.228 1192 D C 1.769 178.040 176.300 -0.048 0.000 1.521 1192 D CA 0.669 54.656 54.000 -0.022 0.000 1.334 1192 D CB -0.532 40.265 40.800 -0.004 0.000 1.126 1192 D HN 0.058 nan 8.370 nan 0.000 0.304 1193 T N 0.554 115.056 114.554 -0.087 0.000 2.588 1193 T HA -0.098 4.253 4.350 0.001 0.000 0.261 1193 T C 2.436 177.052 174.700 -0.140 0.000 1.069 1193 T CA 2.261 64.281 62.100 -0.134 0.000 1.172 1193 T CB -0.445 68.227 68.868 -0.326 0.000 0.863 1193 T HN 0.229 nan 8.240 nan 0.000 0.408 1194 V N 1.573 121.356 119.914 -0.219 0.000 2.252 1194 V HA -0.230 3.891 4.120 0.001 0.000 0.249 1194 V C 2.596 178.628 176.094 -0.104 0.000 1.056 1194 V CA 2.108 64.251 62.300 -0.263 0.000 1.022 1194 V CB -0.681 30.752 31.823 -0.649 0.000 0.641 1194 V HN 0.363 nan 8.190 nan 0.000 0.445 1195 R N -0.059 120.440 120.500 -0.003 0.000 2.127 1195 R HA -0.173 4.167 4.340 0.001 0.000 0.238 1195 R C 2.154 178.447 176.300 -0.011 0.000 1.134 1195 R CA 1.602 57.731 56.100 0.049 0.000 0.975 1195 R CB -0.326 29.871 30.300 -0.172 0.000 0.865 1195 R HN 0.545 nan 8.270 nan 0.000 0.447 1196 A N 0.316 123.116 122.820 -0.033 0.000 1.878 1196 A HA -0.023 4.298 4.320 0.001 0.000 0.213 1196 A C 2.067 179.649 177.584 -0.004 0.000 1.192 1196 A CA 1.348 53.372 52.037 -0.022 0.000 0.619 1196 A CB -0.736 18.248 19.000 -0.026 0.000 0.837 1196 A HN 0.546 nan 8.150 nan 0.000 0.446 1197 E N -0.767 119.424 120.200 -0.014 0.000 2.505 1197 E HA 0.274 4.624 4.350 0.001 0.000 0.197 1197 E C 1.430 178.035 176.600 0.008 0.000 1.111 1197 E CA 0.995 57.393 56.400 -0.003 0.000 0.887 1197 E CB -0.763 28.929 29.700 -0.013 0.000 0.913 1197 E HN 0.726 nan 8.360 nan 0.000 0.517 1198 M N -1.708 117.905 119.600 0.022 0.000 2.638 1198 M HA 0.076 4.557 4.480 0.001 0.000 0.256 1198 M C 2.049 178.389 176.300 0.068 0.000 1.282 1198 M CA 1.048 56.379 55.300 0.050 0.000 1.155 1198 M CB 1.028 33.688 32.600 0.099 0.000 1.345 1198 M HN 0.247 nan 8.290 nan 0.000 0.523 1199 T N 0.549 115.148 114.554 0.075 0.000 2.851 1199 T HA -0.090 4.261 4.350 0.001 0.000 0.262 1199 T C 1.605 176.321 174.700 0.027 0.000 1.043 1199 T CA 1.256 63.428 62.100 0.120 0.000 1.140 1199 T CB -0.098 68.831 68.868 0.102 0.000 0.872 1199 T HN 0.347 nan 8.240 nan 0.000 0.446 1200 K N 0.951 121.357 120.400 0.010 0.000 2.209 1200 K HA -0.045 4.275 4.320 0.001 0.000 0.204 1200 K C 1.788 178.373 176.600 -0.025 0.000 1.048 1200 K CA 0.873 57.154 56.287 -0.009 0.000 0.940 1200 K CB -0.016 32.488 32.500 0.007 0.000 0.729 1200 K HN 0.169 nan 8.250 nan 0.000 0.451 1201 V N 0.789 120.688 119.914 -0.025 0.000 2.992 1201 V HA -0.064 4.056 4.120 0.001 0.000 0.250 1201 V C 1.843 177.822 176.094 -0.192 0.000 1.090 1201 V CA 0.837 63.135 62.300 -0.003 0.000 1.101 1201 V CB 0.033 31.903 31.823 0.078 0.000 0.743 1201 V HN 0.264 nan 8.190 nan 0.000 0.468 1202 L N -0.203 120.831 121.223 -0.316 0.000 2.354 1202 L HA 0.180 4.521 4.340 0.001 0.000 0.212 1202 L C 2.639 179.142 176.870 -0.613 0.000 1.091 1202 L CA 0.904 55.451 54.840 -0.489 0.000 0.828 1202 L CB -0.565 41.337 42.059 -0.262 0.000 0.973 1202 L HN 0.295 nan 8.230 nan 0.000 0.461 1203 A N 1.222 123.614 122.820 -0.713 0.000 1.865 1203 A HA -0.125 4.196 4.320 0.001 0.000 0.217 1203 A C -0.082 177.306 177.584 -0.327 0.000 1.191 1203 A CA 1.726 53.291 52.037 -0.786 0.000 0.623 1203 A CB -1.738 17.044 19.000 -0.363 0.000 0.826 1203 A HN 0.230 nan 8.150 nan 0.000 0.444 1204 P HA -0.137 nan 4.420 nan 0.000 0.215 1204 P C 1.797 179.100 177.300 0.006 0.000 1.157 1204 P CA 2.045 65.122 63.100 -0.039 0.000 0.868 1204 P CB -0.165 31.541 31.700 0.010 0.000 0.788 1205 A N -1.573 121.282 122.820 0.058 0.000 1.940 1205 A HA -0.193 4.127 4.320 0.001 0.000 0.219 1205 A C 1.962 179.525 177.584 -0.034 0.000 1.176 1205 A CA 1.541 53.634 52.037 0.093 0.000 0.631 1205 A CB -1.858 17.321 19.000 0.299 0.000 0.814 1205 A HN 0.135 nan 8.150 nan 0.000 0.446 1206 F N -0.098 119.754 119.950 -0.164 0.000 2.558 1206 F HA 0.033 4.561 4.527 0.001 0.000 0.298 1206 F C 2.724 178.482 175.800 -0.069 0.000 1.119 1206 F CA 1.390 59.319 58.000 -0.119 0.000 1.451 1206 F CB 0.083 38.949 39.000 -0.223 0.000 1.091 1206 F HN 0.329 nan 8.300 nan 0.000 0.563 1207 K N 0.833 121.270 120.400 0.061 0.000 2.044 1207 K HA 0.034 4.355 4.320 0.001 0.000 0.204 1207 K C 2.148 178.759 176.600 0.020 0.000 1.045 1207 K CA 1.401 57.711 56.287 0.038 0.000 0.951 1207 K CB -1.432 31.075 32.500 0.011 0.000 0.738 1207 K HN 0.208 nan 8.250 nan 0.000 0.443 1208 K N 1.644 122.048 120.400 0.007 0.000 2.211 1208 K HA -0.148 4.172 4.320 0.001 0.000 0.204 1208 K C 2.064 178.657 176.600 -0.011 0.000 1.047 1208 K CA 1.813 58.099 56.287 -0.001 0.000 0.935 1208 K CB -0.444 32.055 32.500 -0.000 0.000 0.728 1208 K HN 0.617 nan 8.250 nan 0.000 0.452 1209 E N 0.250 120.434 120.200 -0.027 0.000 2.030 1209 E HA 0.085 4.436 4.350 0.001 0.000 0.189 1209 E C 2.081 178.673 176.600 -0.013 0.000 0.974 1209 E CA 0.762 57.137 56.400 -0.041 0.000 0.807 1209 E CB -0.213 29.424 29.700 -0.104 0.000 0.771 1209 E HN 0.550 nan 8.360 nan 0.000 0.451 1210 L N 0.942 122.172 121.223 0.011 0.000 2.642 1210 L HA -0.099 4.242 4.340 0.001 0.000 0.236 1210 L C 1.036 177.922 176.870 0.027 0.000 1.169 1210 L CA 0.899 55.761 54.840 0.036 0.000 0.851 1210 L CB -0.193 41.914 42.059 0.080 0.000 0.968 1210 L HN 0.060 nan 8.230 nan 0.000 0.453 1211 E N -1.673 118.536 120.200 0.016 0.000 2.759 1211 E HA 0.099 4.450 4.350 0.001 0.000 0.220 1211 E C 1.936 178.539 176.600 0.005 0.000 0.974 1211 E CA 0.072 56.479 56.400 0.013 0.000 1.148 1211 E CB 0.453 30.162 29.700 0.015 0.000 1.059 1211 E HN 0.372 nan 8.360 nan 0.000 0.493 1212 R N 1.037 121.537 120.500 0.000 0.000 2.089 1212 R HA -0.086 4.255 4.340 0.001 0.000 0.222 1212 R C 1.975 178.274 176.300 -0.002 0.000 1.151 1212 R CA 1.925 58.023 56.100 -0.004 0.000 0.908 1212 R CB -2.228 28.066 30.300 -0.010 0.000 0.813 1212 R HN 0.269 nan 8.270 nan 0.000 0.440 1213 N N 1.633 120.332 118.700 -0.003 0.000 2.573 1213 N HA -0.180 4.561 4.740 0.001 0.000 0.187 1213 N C 1.766 177.276 175.510 0.000 0.000 1.107 1213 N CA 1.412 54.461 53.050 -0.002 0.000 0.918 1213 N CB -0.883 37.603 38.487 -0.002 0.000 0.966 1213 N HN 0.779 nan 8.380 nan 0.000 0.448 1214 N N -0.553 118.149 118.700 0.003 0.000 2.096 1214 N HA -0.228 4.513 4.740 0.001 0.000 0.195 1214 N C 0.732 176.244 175.510 0.003 0.000 1.017 1214 N CA 2.080 55.133 53.050 0.005 0.000 0.870 1214 N CB -0.018 38.473 38.487 0.007 0.000 1.024 1214 N HN 0.833 nan 8.380 nan 0.000 0.434 1215 Q N 0.000 119.801 119.800 0.001 0.000 2.315 1215 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 1215 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 1215 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 1215 Q HN 0.000 nan 8.270 nan 0.000 0.481