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 1l1y_1_A DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 28 G C 0.000 174.867 174.900 -0.055 0.000 0.946 28 G CA 0.000 45.070 45.100 -0.051 0.000 0.502 29 P HA 0.358 nan 4.420 nan 0.000 0.271 29 P C -0.096 177.113 177.300 -0.152 0.000 1.216 29 P CA 0.338 63.377 63.100 -0.102 0.000 0.776 29 P CB 1.210 32.824 31.700 -0.144 0.000 0.881 30 T N -0.588 113.881 114.554 -0.141 0.000 2.858 30 T HA 0.503 4.852 4.350 -0.001 0.000 0.285 30 T C -0.165 174.385 174.700 -0.250 0.000 1.052 30 T CA -1.033 60.975 62.100 -0.154 0.000 1.009 30 T CB 1.080 69.914 68.868 -0.057 0.000 1.241 30 T HN 0.071 nan 8.240 nan 0.000 0.542 31 K N 0.928 121.133 120.400 -0.325 0.000 2.249 31 K HA 0.659 4.978 4.320 -0.001 0.000 0.280 31 K C 0.185 176.502 176.600 -0.472 0.000 1.033 31 K CA -0.555 55.379 56.287 -0.590 0.000 0.946 31 K CB 0.930 33.042 32.500 -0.645 0.000 1.005 31 K HN 0.886 nan 8.250 nan 0.000 0.469 32 A N 4.572 127.051 122.820 -0.567 0.000 2.440 32 A HA 0.226 4.546 4.320 -0.001 0.000 0.251 32 A C -1.228 176.158 177.584 -0.331 0.000 1.089 32 A CA -0.853 50.691 52.037 -0.822 0.000 0.779 32 A CB -0.064 18.453 19.000 -0.804 0.000 1.022 32 A HN 0.488 nan 8.150 nan 0.000 0.492 33 P HA 0.002 nan 4.420 nan 0.000 0.241 33 P C 0.306 177.600 177.300 -0.009 0.000 1.191 33 P CA 0.345 63.366 63.100 -0.131 0.000 0.771 33 P CB -0.362 31.256 31.700 -0.137 0.000 0.929 34 T N 1.593 116.153 114.554 0.009 0.000 2.819 34 T HA 0.128 4.477 4.350 -0.001 0.000 0.282 34 T C 0.833 175.647 174.700 0.189 0.000 1.013 34 T CA 0.625 62.797 62.100 0.119 0.000 1.159 34 T CB -0.174 68.774 68.868 0.134 0.000 1.007 34 T HN 0.304 nan 8.240 nan 0.000 0.514 35 K N 2.955 123.429 120.400 0.124 0.000 2.382 35 K HA 0.159 4.478 4.320 -0.001 0.000 0.275 35 K C 0.181 176.871 176.600 0.151 0.000 1.009 35 K CA -0.600 55.750 56.287 0.105 0.000 0.970 35 K CB 0.087 32.620 32.500 0.055 0.000 0.934 35 K HN 0.703 nan 8.250 nan 0.000 0.479 36 D N 0.669 121.120 120.400 0.085 0.000 2.423 36 D HA 0.391 5.030 4.640 -0.001 0.000 0.238 36 D C 1.417 177.723 176.300 0.010 0.000 1.142 36 D CA 1.808 55.822 54.000 0.022 0.000 0.884 36 D CB 0.915 41.685 40.800 -0.050 0.000 1.199 36 D HN 0.940 nan 8.370 nan 0.000 0.438 37 G N 1.272 110.059 108.800 -0.021 0.000 2.176 37 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.232 37 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.232 37 G C 0.533 175.404 174.900 -0.048 0.000 0.986 37 G CA 0.192 45.268 45.100 -0.041 0.000 0.643 37 G HN 0.586 nan 8.290 nan 0.000 0.522 38 T N 2.534 117.075 114.554 -0.022 0.000 2.799 38 T HA 0.479 4.828 4.350 -0.001 0.000 0.296 38 T C 1.065 175.659 174.700 -0.175 0.000 0.947 38 T CA 0.642 62.703 62.100 -0.066 0.000 1.141 38 T CB 1.029 69.868 68.868 -0.049 0.000 0.891 38 T HN 1.246 nan 8.240 nan 0.000 0.533 39 S N 3.759 119.368 115.700 -0.151 0.000 2.568 39 S HA 0.050 4.519 4.470 -0.001 0.000 0.282 39 S C 0.929 175.401 174.600 -0.215 0.000 1.338 39 S CA -0.408 57.688 58.200 -0.173 0.000 1.045 39 S CB 0.197 63.350 63.200 -0.079 0.000 0.873 39 S HN 0.581 nan 8.310 nan 0.000 0.516 40 Y N 1.984 122.272 120.300 -0.021 0.000 2.256 40 Y HA -0.094 4.455 4.550 -0.001 0.000 0.288 40 Y C 2.463 178.332 175.900 -0.052 0.000 1.155 40 Y CA 1.644 59.718 58.100 -0.044 0.000 1.203 40 Y CB -0.574 37.874 38.460 -0.019 0.000 0.980 40 Y HN 0.858 nan 8.280 nan 0.000 0.530 41 K N 0.366 120.806 120.400 0.066 0.000 2.032 41 K HA -0.210 4.109 4.320 -0.001 0.000 0.209 41 K C 1.505 178.133 176.600 0.046 0.000 1.048 41 K CA 2.134 58.428 56.287 0.011 0.000 0.927 41 K CB -0.195 32.269 32.500 -0.060 0.000 0.712 41 K HN 0.128 nan 8.250 nan 0.000 0.441 42 D N 0.826 121.219 120.400 -0.012 0.000 2.144 42 D HA -0.131 4.508 4.640 -0.001 0.000 0.200 42 D C 2.012 178.269 176.300 -0.071 0.000 0.978 42 D CA 0.861 54.844 54.000 -0.028 0.000 0.833 42 D CB -0.080 40.690 40.800 -0.050 0.000 0.961 42 D HN 0.240 nan 8.370 nan 0.000 0.470 43 L N -0.099 121.033 121.223 -0.152 0.000 2.012 43 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 43 L C 2.391 179.131 176.870 -0.218 0.000 1.073 43 L CA 0.967 55.600 54.840 -0.345 0.000 0.748 43 L CB -0.450 41.304 42.059 -0.508 0.000 0.891 43 L HN 0.024 nan 8.230 nan 0.000 0.431 44 F N 0.771 120.628 119.950 -0.156 0.000 2.091 44 F HA -0.277 4.249 4.527 -0.001 0.000 0.299 44 F C 2.222 178.022 175.800 -0.001 0.000 1.103 44 F CA 1.671 59.622 58.000 -0.081 0.000 1.228 44 F CB -0.181 38.776 39.000 -0.072 0.000 0.984 44 F HN -0.094 nan 8.300 nan 0.000 0.477 45 L N 0.051 121.315 121.223 0.068 0.000 2.093 45 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 45 L C 2.529 179.400 176.870 0.002 0.000 1.085 45 L CA 1.749 56.623 54.840 0.057 0.000 0.755 45 L CB -0.892 41.244 42.059 0.128 0.000 0.904 45 L HN 0.263 nan 8.230 nan 0.000 0.435 46 E N 0.742 120.925 120.200 -0.027 0.000 2.058 46 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 46 E C 2.379 178.983 176.600 0.006 0.000 0.997 46 E CA 1.282 57.693 56.400 0.017 0.000 0.801 46 E CB -0.053 29.672 29.700 0.042 0.000 0.746 46 E HN 0.424 nan 8.360 nan 0.000 0.450 47 L N 0.108 121.272 121.223 -0.098 0.000 2.017 47 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 47 L C 2.531 179.297 176.870 -0.172 0.000 1.073 47 L CA 1.707 56.501 54.840 -0.077 0.000 0.745 47 L CB -0.492 41.489 42.059 -0.130 0.000 0.894 47 L HN 0.344 nan 8.230 nan 0.000 0.432 48 Y N 0.573 120.584 120.300 -0.481 0.000 2.069 48 Y HA -0.305 4.244 4.550 -0.001 0.000 0.278 48 Y C 2.262 178.024 175.900 -0.230 0.000 1.175 48 Y CA 2.041 59.865 58.100 -0.459 0.000 1.134 48 Y CB -0.821 37.266 38.460 -0.622 0.000 0.965 48 Y HN 0.195 nan 8.280 nan 0.000 0.498 49 G N -0.331 108.461 108.800 -0.012 0.000 2.469 49 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.220 49 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.220 49 G C 1.649 176.509 174.900 -0.066 0.000 1.136 49 G CA 1.236 46.329 45.100 -0.012 0.000 0.759 49 G HN 0.429 nan 8.290 nan 0.000 0.562 50 K N -0.320 120.054 120.400 -0.044 0.000 2.116 50 K HA 0.209 4.528 4.320 -0.001 0.000 0.203 50 K C 2.377 178.986 176.600 0.015 0.000 1.052 50 K CA 0.449 56.743 56.287 0.012 0.000 0.952 50 K CB -0.104 32.432 32.500 0.061 0.000 0.729 50 K HN 0.296 nan 8.250 nan 0.000 0.446 51 I N 1.184 121.665 120.570 -0.149 0.000 2.394 51 I HA -0.225 3.944 4.170 -0.001 0.000 0.251 51 I C 1.720 177.838 176.117 0.003 0.000 1.136 51 I CA 1.055 62.187 61.300 -0.279 0.000 1.425 51 I CB 0.027 37.749 38.000 -0.463 0.000 1.079 51 I HN 0.029 nan 8.210 nan 0.000 0.425 52 K N -0.108 120.193 120.400 -0.164 0.000 2.361 52 K HA 0.081 4.400 4.320 -0.001 0.000 0.194 52 K C 0.248 176.793 176.600 -0.090 0.000 1.032 52 K CA 0.118 56.292 56.287 -0.188 0.000 1.048 52 K CB -0.274 31.908 32.500 -0.530 0.000 0.842 52 K HN 0.129 nan 8.250 nan 0.000 0.526 53 D N 3.070 123.458 120.400 -0.020 0.000 2.412 53 D HA -0.013 4.626 4.640 -0.001 0.000 0.257 53 D C -1.375 174.945 176.300 0.033 0.000 1.217 53 D CA -1.532 52.470 54.000 0.003 0.000 0.897 53 D CB 1.352 42.164 40.800 0.019 0.000 1.132 53 D HN -0.053 nan 8.370 nan 0.000 0.493 54 P HA -0.230 nan 4.420 nan 0.000 0.216 54 P C 1.206 178.512 177.300 0.010 0.000 1.153 54 P CA 1.873 64.975 63.100 0.003 0.000 0.858 54 P CB 0.072 31.760 31.700 -0.020 0.000 0.789 55 K N 0.134 120.535 120.400 0.001 0.000 2.286 55 K HA -0.184 4.135 4.320 -0.001 0.000 0.203 55 K C 1.847 178.430 176.600 -0.029 0.000 1.045 55 K CA 1.843 58.125 56.287 -0.010 0.000 0.935 55 K CB -1.652 30.843 32.500 -0.009 0.000 0.737 55 K HN 0.224 nan 8.250 nan 0.000 0.460 56 N N -0.815 117.873 118.700 -0.019 0.000 2.376 56 N HA 0.044 4.784 4.740 -0.001 0.000 0.177 56 N C 1.357 176.761 175.510 -0.176 0.000 1.024 56 N CA 1.208 54.206 53.050 -0.087 0.000 0.893 56 N CB 0.360 38.845 38.487 -0.003 0.000 0.980 56 N HN 0.687 nan 8.380 nan 0.000 0.439 57 G N 0.188 108.955 108.800 -0.056 0.000 2.160 57 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.244 57 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.244 57 G C 0.381 175.242 174.900 -0.065 0.000 1.022 57 G CA 0.224 45.300 45.100 -0.039 0.000 0.741 57 G HN 0.368 nan 8.290 nan 0.000 0.508 58 Y N -1.114 119.174 120.300 -0.020 0.000 2.439 58 Y HA 0.382 4.932 4.550 -0.001 0.000 0.292 58 Y C 1.325 176.874 175.900 -0.585 0.000 1.130 58 Y CA 0.886 58.863 58.100 -0.204 0.000 1.254 58 Y CB 0.132 38.461 38.460 -0.219 0.000 1.000 58 Y HN 0.333 nan 8.280 nan 0.000 0.554 59 F N -1.066 118.725 119.950 -0.264 0.000 2.546 59 F HA 0.342 4.869 4.527 -0.001 0.000 0.320 59 F C 0.408 175.786 175.800 -0.704 0.000 1.076 59 F CA -1.984 55.639 58.000 -0.628 0.000 0.928 59 F CB 0.964 39.661 39.000 -0.504 0.000 1.189 59 F HN -0.367 nan 8.300 nan 0.000 0.465 60 S N 2.078 117.224 115.700 -0.923 0.000 2.546 60 S HA 0.086 4.555 4.470 -0.001 0.000 0.290 60 S C -1.938 172.527 174.600 -0.225 0.000 1.290 60 S CA -0.827 57.015 58.200 -0.597 0.000 1.069 60 S CB 0.719 63.560 63.200 -0.598 0.000 0.846 60 S HN 0.439 nan 8.310 nan 0.000 0.495 61 P HA 0.007 nan 4.420 nan 0.000 0.219 61 P C 0.534 177.799 177.300 -0.058 0.000 1.150 61 P CA 0.945 64.015 63.100 -0.050 0.000 0.814 61 P CB 0.066 31.765 31.700 -0.002 0.000 0.787 62 D N -0.359 119.995 120.400 -0.076 0.000 2.144 62 D HA -0.096 4.543 4.640 -0.001 0.000 0.207 62 D C 1.781 178.041 176.300 -0.067 0.000 0.970 62 D CA 1.169 55.134 54.000 -0.059 0.000 0.853 62 D CB -0.270 40.495 40.800 -0.058 0.000 1.007 62 D HN 0.339 nan 8.370 nan 0.000 0.469 63 E N -0.551 119.545 120.200 -0.174 0.000 2.490 63 E HA 0.185 4.534 4.350 -0.001 0.000 0.209 63 E C 1.131 177.668 176.600 -0.105 0.000 0.971 63 E CA 0.709 57.019 56.400 -0.151 0.000 0.988 63 E CB 0.336 29.689 29.700 -0.578 0.000 1.029 63 E HN 0.156 nan 8.360 nan 0.000 0.496 64 G N 2.148 110.843 108.800 -0.174 0.000 2.160 64 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.244 64 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.244 64 G C 0.062 174.883 174.900 -0.133 0.000 1.022 64 G CA 0.321 45.325 45.100 -0.161 0.000 0.741 64 G HN 0.303 nan 8.290 nan 0.000 0.508 65 I N 1.864 122.262 120.570 -0.286 0.000 2.474 65 I HA 0.269 4.439 4.170 -0.001 0.000 0.287 65 I C -1.587 174.139 176.117 -0.650 0.000 1.048 65 I CA -2.372 58.704 61.300 -0.374 0.000 1.383 65 I CB 1.206 38.972 38.000 -0.391 0.000 1.412 65 I HN -0.088 nan 8.210 nan 0.000 0.531 66 P HA 0.059 nan 4.420 nan 0.000 0.271 66 P C -1.099 175.645 177.300 -0.925 0.000 1.233 66 P CA 0.063 62.320 63.100 -1.404 0.000 0.764 66 P CB 0.105 30.652 31.700 -1.921 0.000 0.825 67 Y N 1.185 121.086 120.300 -0.665 0.000 2.357 67 Y HA 0.031 4.580 4.550 -0.001 0.000 0.340 67 Y C 2.413 178.176 175.900 -0.228 0.000 1.260 67 Y CA 0.236 58.094 58.100 -0.403 0.000 1.425 67 Y CB -0.153 38.024 38.460 -0.472 0.000 1.326 67 Y HN 0.503 nan 8.280 nan 0.000 0.580 68 H N 0.233 119.326 119.070 0.038 0.000 2.387 68 H HA -0.038 4.517 4.556 -0.001 0.000 0.299 68 H C -0.130 175.245 175.328 0.078 0.000 1.099 68 H CA 1.252 57.345 56.048 0.075 0.000 1.315 68 H CB 0.257 30.047 29.762 0.046 0.000 1.380 68 H HN 0.494 nan 8.280 nan 0.000 0.513 69 S N -2.328 113.407 115.700 0.058 0.000 2.552 69 S HA 0.206 4.675 4.470 -0.001 0.000 0.272 69 S C 0.780 175.395 174.600 0.024 0.000 1.150 69 S CA -0.405 57.792 58.200 -0.005 0.000 0.849 69 S CB 0.242 63.374 63.200 -0.113 0.000 1.113 69 S HN 0.146 nan 8.310 nan 0.000 0.458 70 I N 0.620 121.161 120.570 -0.048 0.000 2.194 70 I HA -0.164 4.005 4.170 -0.001 0.000 0.246 70 I C 0.665 176.763 176.117 -0.030 0.000 1.093 70 I CA 1.471 62.701 61.300 -0.117 0.000 1.355 70 I CB -0.375 37.407 38.000 -0.363 0.000 1.046 70 I HN 0.670 nan 8.210 nan 0.000 0.413 71 E N 0.504 120.683 120.200 -0.036 0.000 2.331 71 E HA 0.037 4.386 4.350 -0.001 0.000 0.272 71 E C 1.195 177.643 176.600 -0.255 0.000 1.036 71 E CA 0.217 56.564 56.400 -0.089 0.000 0.864 71 E CB 0.774 30.506 29.700 0.053 0.000 1.035 71 E HN 0.211 nan 8.360 nan 0.000 0.408 72 T N 0.164 114.467 114.554 -0.417 0.000 2.937 72 T HA -0.022 4.327 4.350 -0.001 0.000 0.260 72 T C 0.765 175.263 174.700 -0.338 0.000 1.051 72 T CA -0.120 61.529 62.100 -0.752 0.000 1.141 72 T CB 0.105 68.505 68.868 -0.779 0.000 0.879 72 T HN 0.205 nan 8.240 nan 0.000 0.459 73 L N 2.134 123.383 121.223 0.042 0.000 2.282 73 L HA 0.707 5.046 4.340 -0.001 0.000 0.287 73 L C -0.779 176.245 176.870 0.255 0.000 1.075 73 L CA -1.760 53.233 54.840 0.256 0.000 0.839 73 L CB -0.655 41.541 42.059 0.229 0.000 1.219 73 L HN 0.441 nan 8.230 nan 0.000 0.434 74 I N 4.487 125.163 120.570 0.177 0.000 2.753 74 I HA 0.495 4.664 4.170 -0.001 0.000 0.291 74 I C -1.741 174.378 176.117 0.005 0.000 1.425 74 I CA -0.494 60.886 61.300 0.132 0.000 1.039 74 I CB 2.345 40.212 38.000 -0.221 0.000 1.349 74 I HN 0.193 nan 8.210 nan 0.000 0.430 75 V N 7.366 127.263 119.914 -0.028 0.000 2.524 75 V HA 0.587 4.707 4.120 -0.001 0.000 0.297 75 V C -0.431 175.544 176.094 -0.199 0.000 1.035 75 V CA -0.226 61.878 62.300 -0.328 0.000 0.867 75 V CB 1.498 32.691 31.823 -1.051 0.000 1.004 75 V HN 0.904 nan 8.190 nan 0.000 0.426 76 E N 4.054 124.133 120.200 -0.202 0.000 1.933 76 E HA 0.577 4.926 4.350 -0.001 0.000 0.195 76 E C 1.217 177.787 176.600 -0.050 0.000 1.449 76 E CA -0.231 56.105 56.400 -0.105 0.000 0.963 76 E CB 0.821 30.505 29.700 -0.027 0.000 1.872 76 E HN 0.412 nan 8.360 nan 0.000 0.557 77 A N 0.664 123.511 122.820 0.045 0.000 1.893 77 A HA -0.113 4.206 4.320 -0.001 0.000 0.222 77 A C -1.243 176.551 177.584 0.351 0.000 1.309 77 A CA 2.484 54.660 52.037 0.232 0.000 0.681 77 A CB -2.281 16.872 19.000 0.254 0.000 0.842 77 A HN 0.541 nan 8.150 nan 0.000 0.468 78 P HA 0.277 nan 4.420 nan 0.000 0.281 78 P C -1.149 176.108 177.300 -0.072 0.000 1.249 78 P CA 0.145 63.243 63.100 -0.003 0.000 0.810 78 P CB 0.906 32.470 31.700 -0.226 0.000 1.008 79 D N -0.483 119.921 120.400 0.007 0.000 2.402 79 D HA 0.121 4.760 4.640 -0.001 0.000 0.216 79 D C -0.431 176.003 176.300 0.224 0.000 1.128 79 D CA -0.229 53.797 54.000 0.044 0.000 0.833 79 D CB -0.462 40.412 40.800 0.124 0.000 0.971 79 D HN 0.306 nan 8.370 nan 0.000 0.503 80 Y N -0.793 119.477 120.300 -0.051 0.000 2.521 80 Y HA 0.494 5.043 4.550 -0.001 0.000 0.332 80 Y C 1.026 176.814 175.900 -0.186 0.000 1.121 80 Y CA -0.899 57.088 58.100 -0.189 0.000 1.037 80 Y CB 1.762 39.930 38.460 -0.486 0.000 1.330 80 Y HN -0.171 nan 8.280 nan 0.000 0.452 81 G N 1.517 109.759 108.800 -0.929 0.000 2.421 81 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.217 81 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.217 81 G C 0.593 175.252 174.900 -0.403 0.000 1.143 81 G CA 0.601 45.369 45.100 -0.553 0.000 0.784 81 G HN 0.824 nan 8.290 nan 0.000 0.541 82 H N -0.337 118.084 119.070 -1.082 0.000 2.507 82 H HA 0.272 4.827 4.556 -0.001 0.000 0.294 82 H C 0.993 176.303 175.328 -0.030 0.000 1.064 82 H CA -0.710 54.964 56.048 -0.623 0.000 1.138 82 H CB 0.547 29.763 29.762 -0.909 0.000 1.515 82 H HN 0.255 nan 8.280 nan 0.000 0.547 83 V N -0.462 119.538 119.914 0.143 0.000 3.376 83 V HA 0.195 4.314 4.120 -0.001 0.000 0.303 83 V C 0.531 176.709 176.094 0.140 0.000 1.100 83 V CA -0.184 62.216 62.300 0.165 0.000 1.126 83 V CB 1.773 33.653 31.823 0.094 0.000 1.085 83 V HN 0.109 nan 8.190 nan 0.000 0.480 84 T N 1.126 115.740 114.554 0.101 0.000 2.930 84 T HA 0.777 5.126 4.350 -0.001 0.000 0.290 84 T C -0.339 174.432 174.700 0.118 0.000 1.052 84 T CA 0.220 62.376 62.100 0.093 0.000 1.017 84 T CB 1.543 70.448 68.868 0.062 0.000 1.137 84 T HN 1.462 nan 8.240 nan 0.000 0.511 85 T N -0.745 113.929 114.554 0.201 0.000 2.901 85 T HA 0.452 4.801 4.350 -0.001 0.000 0.293 85 T C 1.433 176.355 174.700 0.370 0.000 1.084 85 T CA -0.091 62.154 62.100 0.241 0.000 1.008 85 T CB 1.284 70.339 68.868 0.312 0.000 1.170 85 T HN 0.573 nan 8.240 nan 0.000 0.509 86 S N 0.112 116.001 115.700 0.316 0.000 2.382 86 S HA -0.202 4.268 4.470 -0.001 0.000 0.228 86 S C 1.705 176.479 174.600 0.289 0.000 1.027 86 S CA 1.253 59.618 58.200 0.276 0.000 0.991 86 S CB -0.769 62.520 63.200 0.150 0.000 0.823 86 S HN 0.886 nan 8.310 nan 0.000 0.469 87 E N 2.340 122.702 120.200 0.270 0.000 2.049 87 E HA -0.241 4.108 4.350 -0.001 0.000 0.198 87 E C 2.207 179.067 176.600 0.433 0.000 1.007 87 E CA 1.336 57.895 56.400 0.265 0.000 0.809 87 E CB -0.643 29.210 29.700 0.255 0.000 0.749 87 E HN 0.596 nan 8.360 nan 0.000 0.450 88 A N 0.236 123.309 122.820 0.422 0.000 1.917 88 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 88 A C 2.011 179.806 177.584 0.352 0.000 1.182 88 A CA 1.658 53.929 52.037 0.391 0.000 0.633 88 A CB -1.020 18.026 19.000 0.077 0.000 0.819 88 A HN 0.433 nan 8.150 nan 0.000 0.448 89 F N 0.957 121.068 119.950 0.268 0.000 2.146 89 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 89 F C 3.016 178.976 175.800 0.267 0.000 1.096 89 F CA 1.735 59.893 58.000 0.263 0.000 1.275 89 F CB -0.207 38.849 39.000 0.093 0.000 1.008 89 F HN 0.372 nan 8.300 nan 0.000 0.480 90 S N -0.772 115.143 115.700 0.358 0.000 2.382 90 S HA -0.271 4.198 4.470 -0.001 0.000 0.228 90 S C 1.868 176.619 174.600 0.253 0.000 1.027 90 S CA 1.219 59.522 58.200 0.172 0.000 0.991 90 S CB -1.260 61.920 63.200 -0.034 0.000 0.823 90 S HN 0.384 nan 8.310 nan 0.000 0.469 91 Y N 0.458 121.017 120.300 0.432 0.000 2.242 91 Y HA -0.047 4.502 4.550 -0.001 0.000 0.291 91 Y C 2.580 178.889 175.900 0.682 0.000 1.137 91 Y CA 1.286 59.723 58.100 0.561 0.000 1.181 91 Y CB -0.721 38.033 38.460 0.490 0.000 0.989 91 Y HN 0.383 nan 8.280 nan 0.000 0.527 92 Y N 0.043 120.792 120.300 0.749 0.000 2.200 92 Y HA -0.190 4.359 4.550 -0.001 0.000 0.290 92 Y C 2.220 178.460 175.900 0.568 0.000 1.137 92 Y CA 0.982 59.499 58.100 0.696 0.000 1.163 92 Y CB -0.840 37.881 38.460 0.435 0.000 0.988 92 Y HN -0.072 nan 8.280 nan 0.000 0.518 93 V N -0.838 119.343 119.914 0.445 0.000 2.295 93 V HA -0.298 3.821 4.120 -0.001 0.000 0.246 93 V C 2.209 178.636 176.094 0.555 0.000 1.049 93 V CA 1.972 64.499 62.300 0.380 0.000 1.024 93 V CB -1.062 30.992 31.823 0.384 0.000 0.648 93 V HN 0.568 nan 8.190 nan 0.000 0.447 94 W N 0.348 121.865 121.300 0.362 0.000 2.338 94 W HA -0.177 4.482 4.660 -0.001 0.000 0.304 94 W C 2.328 179.106 176.519 0.432 0.000 1.212 94 W CA 1.760 59.318 57.345 0.354 0.000 1.264 94 W CB -0.900 28.706 29.460 0.243 0.000 1.142 94 W HN 0.264 nan 8.180 nan 0.000 0.512 95 L N 1.230 122.860 121.223 0.677 0.000 2.079 95 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 95 L C 2.317 179.600 176.870 0.689 0.000 1.081 95 L CA 2.185 57.392 54.840 0.611 0.000 0.752 95 L CB -0.782 41.608 42.059 0.551 0.000 0.896 95 L HN -0.158 nan 8.230 nan 0.000 0.433 96 E N -0.313 120.270 120.200 0.637 0.000 2.112 96 E HA -0.068 4.281 4.350 -0.001 0.000 0.190 96 E C 2.236 179.135 176.600 0.499 0.000 0.979 96 E CA 1.031 57.767 56.400 0.561 0.000 0.814 96 E CB -0.440 29.528 29.700 0.447 0.000 0.762 96 E HN 0.608 nan 8.360 nan 0.000 0.460 97 A N 1.613 124.792 122.820 0.598 0.000 1.892 97 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 97 A C 2.254 180.231 177.584 0.656 0.000 1.188 97 A CA 2.252 54.733 52.037 0.741 0.000 0.631 97 A CB -0.524 18.954 19.000 0.797 0.000 0.822 97 A HN 0.214 nan 8.150 nan 0.000 0.447 98 M N -1.896 118.002 119.600 0.496 0.000 2.117 98 M HA -0.126 4.353 4.480 -0.001 0.000 0.262 98 M C 1.948 178.063 176.300 -0.308 0.000 1.065 98 M CA 1.888 57.174 55.300 -0.025 0.000 1.114 98 M CB -0.771 31.699 32.600 -0.217 0.000 1.361 98 M HN 0.522 nan 8.290 nan 0.000 0.408 99 Y N 0.009 120.249 120.300 -0.099 0.000 2.181 99 Y HA -0.023 4.527 4.550 -0.001 0.000 0.288 99 Y C 2.088 177.688 175.900 -0.499 0.000 1.146 99 Y CA 1.989 59.943 58.100 -0.243 0.000 1.164 99 Y CB -0.924 37.286 38.460 -0.417 0.000 0.982 99 Y HN 0.279 nan 8.280 nan 0.000 0.515 100 G N 0.096 108.478 108.800 -0.697 0.000 2.440 100 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.218 100 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.218 100 G C 1.598 175.722 174.900 -1.293 0.000 1.154 100 G CA 0.980 45.012 45.100 -1.781 0.000 0.767 100 G HN 0.587 nan 8.290 nan 0.000 0.552 101 N N 0.117 118.455 118.700 -0.604 0.000 2.036 101 N HA -0.080 4.659 4.740 -0.001 0.000 0.195 101 N C 2.140 177.348 175.510 -0.505 0.000 1.037 101 N CA 1.004 53.829 53.050 -0.376 0.000 0.855 101 N CB -0.210 37.719 38.487 -0.931 0.000 1.033 101 N HN 0.327 nan 8.380 nan 0.000 0.423 102 L N -0.866 119.984 121.223 -0.623 0.000 2.492 102 L HA 0.022 4.361 4.340 -0.001 0.000 0.223 102 L C 1.706 178.306 176.870 -0.451 0.000 1.132 102 L CA 0.585 55.112 54.840 -0.522 0.000 0.850 102 L CB 0.139 41.871 42.059 -0.545 0.000 0.966 102 L HN 0.263 nan 8.230 nan 0.000 0.454 103 T N -1.930 112.280 114.554 -0.574 0.000 3.010 103 T HA 0.223 4.572 4.350 -0.001 0.000 0.252 103 T C 1.248 175.698 174.700 -0.417 0.000 0.963 103 T CA 0.744 62.503 62.100 -0.569 0.000 0.952 103 T CB 0.676 68.912 68.868 -1.053 0.000 1.182 103 T HN 0.412 nan 8.240 nan 0.000 0.495 104 G N 2.204 110.738 108.800 -0.444 0.000 2.199 104 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.254 104 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.254 104 G C 0.078 174.794 174.900 -0.306 0.000 0.982 104 G CA 0.284 45.246 45.100 -0.230 0.000 0.632 104 G HN 0.624 nan 8.290 nan 0.000 0.529 105 N N -0.276 118.133 118.700 -0.484 0.000 2.420 105 N HA 0.360 5.099 4.740 -0.001 0.000 0.249 105 N C 0.767 176.072 175.510 -0.341 0.000 1.033 105 N CA -0.694 52.216 53.050 -0.233 0.000 0.944 105 N CB 0.256 38.737 38.487 -0.009 0.000 1.113 105 N HN 0.354 nan 8.380 nan 0.000 0.502 106 W N 1.687 123.060 121.300 0.122 0.000 3.211 106 W HA 0.051 4.710 4.660 -0.001 0.000 0.292 106 W C 2.437 179.057 176.519 0.167 0.000 1.268 106 W CA -0.300 57.135 57.345 0.149 0.000 1.702 106 W CB 0.253 29.777 29.460 0.106 0.000 1.092 106 W HN 0.594 nan 8.180 nan 0.000 0.643 107 S N -0.136 115.744 115.700 0.300 0.000 2.387 107 S HA -0.182 4.287 4.470 -0.001 0.000 0.230 107 S C 2.138 176.883 174.600 0.242 0.000 1.035 107 S CA 1.500 59.845 58.200 0.241 0.000 1.014 107 S CB -1.256 62.053 63.200 0.182 0.000 0.836 107 S HN 0.282 nan 8.310 nan 0.000 0.466 108 G N 1.367 110.323 108.800 0.261 0.000 2.469 108 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.220 108 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.220 108 G C 1.415 176.471 174.900 0.260 0.000 1.136 108 G CA 1.139 46.397 45.100 0.264 0.000 0.759 108 G HN 0.521 nan 8.290 nan 0.000 0.562 109 V N 0.367 120.481 119.914 0.332 0.000 2.427 109 V HA -0.130 3.989 4.120 -0.001 0.000 0.248 109 V C 2.656 178.923 176.094 0.287 0.000 1.051 109 V CA 1.997 64.503 62.300 0.343 0.000 1.048 109 V CB -0.329 31.770 31.823 0.461 0.000 0.666 109 V HN 0.457 nan 8.190 nan 0.000 0.456 110 E N -0.030 120.324 120.200 0.256 0.000 2.047 110 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 110 E C 2.316 179.048 176.600 0.219 0.000 0.987 110 E CA 1.826 58.358 56.400 0.219 0.000 0.799 110 E CB -0.302 29.503 29.700 0.175 0.000 0.752 110 E HN 0.580 nan 8.360 nan 0.000 0.449 111 T N 1.266 115.934 114.554 0.190 0.000 2.635 111 T HA -0.246 4.103 4.350 -0.001 0.000 0.267 111 T C 2.011 176.809 174.700 0.163 0.000 1.040 111 T CA 1.658 63.864 62.100 0.178 0.000 1.156 111 T CB -0.353 68.619 68.868 0.174 0.000 0.863 111 T HN 0.270 nan 8.240 nan 0.000 0.430 112 A N 0.843 123.669 122.820 0.009 0.000 1.902 112 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 112 A C 2.191 179.807 177.584 0.053 0.000 1.181 112 A CA 1.346 53.179 52.037 -0.340 0.000 0.623 112 A CB -1.019 17.476 19.000 -0.841 0.000 0.818 112 A HN 0.709 nan 8.150 nan 0.000 0.443 113 W N 0.819 122.143 121.300 0.040 0.000 2.388 113 W HA -0.101 4.558 4.660 -0.001 0.000 0.294 113 W C 2.141 178.721 176.519 0.101 0.000 1.212 113 W CA 1.845 59.244 57.345 0.089 0.000 1.271 113 W CB -0.217 29.297 29.460 0.091 0.000 1.126 113 W HN 0.431 nan 8.180 nan 0.000 0.535 114 K N 0.290 120.877 120.400 0.312 0.000 2.009 114 K HA -0.208 4.111 4.320 -0.001 0.000 0.210 114 K C 1.834 178.539 176.600 0.175 0.000 1.049 114 K CA 2.115 58.534 56.287 0.220 0.000 0.929 114 K CB -0.495 32.119 32.500 0.191 0.000 0.714 114 K HN -0.081 nan 8.250 nan 0.000 0.440 115 V N 1.906 121.983 119.914 0.272 0.000 2.287 115 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 115 V C 2.485 178.782 176.094 0.340 0.000 1.053 115 V CA 2.208 64.778 62.300 0.451 0.000 1.027 115 V CB -0.474 31.715 31.823 0.610 0.000 0.646 115 V HN 0.509 nan 8.190 nan 0.000 0.447 116 M N 0.469 120.119 119.600 0.082 0.000 2.080 116 M HA -0.258 4.221 4.480 -0.001 0.000 0.260 116 M C 2.370 178.416 176.300 -0.424 0.000 1.068 116 M CA 2.667 57.664 55.300 -0.505 0.000 1.109 116 M CB -0.285 31.885 32.600 -0.717 0.000 1.342 116 M HN 0.668 nan 8.290 nan 0.000 0.405 117 E N -1.223 118.828 120.200 -0.249 0.000 2.216 117 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 117 E C 1.127 177.623 176.600 -0.173 0.000 0.988 117 E CA 1.174 57.475 56.400 -0.165 0.000 0.834 117 E CB -0.350 29.387 29.700 0.061 0.000 0.772 117 E HN 0.472 nan 8.360 nan 0.000 0.479 118 D N 0.276 120.545 120.400 -0.218 0.000 2.144 118 D HA -0.115 4.524 4.640 -0.001 0.000 0.200 118 D C 1.020 176.890 176.300 -0.716 0.000 0.978 118 D CA 1.187 54.868 54.000 -0.533 0.000 0.833 118 D CB -0.100 40.264 40.800 -0.727 0.000 0.961 118 D HN 0.445 nan 8.370 nan 0.000 0.470 119 W N -0.422 120.817 121.300 -0.102 0.000 3.412 119 W HA 0.386 5.045 4.660 -0.001 0.000 0.236 119 W C 2.017 178.445 176.519 -0.151 0.000 1.030 119 W CA -0.430 56.839 57.345 -0.127 0.000 1.850 119 W CB 0.006 29.434 29.460 -0.053 0.000 0.979 119 W HN -0.260 nan 8.180 nan 0.000 0.716 120 I N 0.355 120.909 120.570 -0.026 0.000 3.783 120 I HA 0.206 4.376 4.170 -0.001 0.000 0.310 120 I C 0.012 176.138 176.117 0.015 0.000 1.274 120 I CA 0.186 61.507 61.300 0.035 0.000 1.294 120 I CB 0.397 38.243 38.000 -0.257 0.000 1.051 120 I HN -0.277 nan 8.210 nan 0.000 0.435 121 I N 3.451 123.919 120.570 -0.169 0.000 2.312 121 I HA 0.212 4.381 4.170 -0.001 0.000 0.291 121 I C -2.182 173.833 176.117 -0.170 0.000 1.031 121 I CA -1.932 59.214 61.300 -0.257 0.000 1.293 121 I CB 0.541 38.257 38.000 -0.472 0.000 1.403 121 I HN -0.102 nan 8.210 nan 0.000 0.484 122 P HA -0.014 nan 4.420 nan 0.000 0.261 122 P C -0.792 176.390 177.300 -0.197 0.000 1.203 122 P CA -0.152 62.713 63.100 -0.392 0.000 0.767 122 P CB 0.070 31.222 31.700 -0.913 0.000 0.785 123 D N 1.541 121.868 120.400 -0.121 0.000 2.325 123 D HA -0.027 4.612 4.640 -0.001 0.000 0.262 123 D C 1.128 177.370 176.300 -0.097 0.000 1.263 123 D CA -0.241 53.708 54.000 -0.085 0.000 1.020 123 D CB -0.362 40.394 40.800 -0.073 0.000 1.117 123 D HN 0.227 nan 8.370 nan 0.000 0.545 124 S N -1.395 114.263 115.700 -0.069 0.000 2.356 124 S HA -0.194 4.276 4.470 -0.001 0.000 0.223 124 S C 1.975 176.507 174.600 -0.113 0.000 1.032 124 S CA 1.510 59.667 58.200 -0.072 0.000 1.005 124 S CB -1.375 61.804 63.200 -0.034 0.000 0.867 124 S HN 0.624 nan 8.310 nan 0.000 0.449 125 T N 2.453 116.948 114.554 -0.098 0.000 2.822 125 T HA -0.119 4.230 4.350 -0.001 0.000 0.270 125 T C 1.247 175.848 174.700 -0.166 0.000 1.064 125 T CA 1.689 63.726 62.100 -0.105 0.000 1.131 125 T CB -0.380 68.445 68.868 -0.072 0.000 0.858 125 T HN 0.659 nan 8.240 nan 0.000 0.483 126 E N 0.341 120.423 120.200 -0.198 0.000 2.476 126 E HA 0.118 4.468 4.350 -0.001 0.000 0.196 126 E C 0.447 176.686 176.600 -0.603 0.000 1.029 126 E CA 0.021 56.272 56.400 -0.249 0.000 0.896 126 E CB 0.376 30.041 29.700 -0.058 0.000 1.012 126 E HN 0.489 nan 8.360 nan 0.000 0.475 127 Q N 1.520 120.911 119.800 -0.682 0.000 2.506 127 Q HA 0.180 4.519 4.340 -0.001 0.000 0.380 127 Q C -2.530 173.080 176.000 -0.649 0.000 0.867 127 Q CA -1.648 53.458 55.803 -1.161 0.000 1.093 127 Q CB 0.940 29.417 28.738 -0.434 0.000 1.388 127 Q HN 0.059 nan 8.270 nan 0.000 0.400 128 P HA -0.008 nan 4.420 nan 0.000 0.267 128 P C 0.827 178.232 177.300 0.174 0.000 1.209 128 P CA 1.159 64.186 63.100 -0.121 0.000 0.763 128 P CB 0.915 32.551 31.700 -0.107 0.000 0.816 129 G N 3.207 112.100 108.800 0.156 0.000 2.157 129 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.239 129 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.239 129 G C 0.733 175.786 174.900 0.254 0.000 0.982 129 G CA 0.321 45.535 45.100 0.191 0.000 0.650 129 G HN 0.447 nan 8.290 nan 0.000 0.527 130 M N 2.029 121.815 119.600 0.310 0.000 2.149 130 M HA -0.033 4.447 4.480 -0.001 0.000 0.261 130 M C 2.664 179.137 176.300 0.288 0.000 1.064 130 M CA 2.656 58.159 55.300 0.339 0.000 1.102 130 M CB -0.578 32.223 32.600 0.335 0.000 1.369 130 M HN 0.693 nan 8.290 nan 0.000 0.408 131 S N -1.332 114.504 115.700 0.227 0.000 2.407 131 S HA -0.161 4.308 4.470 -0.001 0.000 0.235 131 S C 1.765 176.485 174.600 0.201 0.000 1.036 131 S CA 1.726 60.047 58.200 0.202 0.000 1.013 131 S CB -1.032 62.255 63.200 0.146 0.000 0.820 131 S HN 0.541 nan 8.310 nan 0.000 0.476 132 S N 0.497 116.318 115.700 0.202 0.000 2.701 132 S HA 0.214 4.684 4.470 -0.001 0.000 0.220 132 S C 0.127 174.839 174.600 0.187 0.000 0.954 132 S CA -0.461 57.848 58.200 0.182 0.000 0.936 132 S CB -0.477 62.839 63.200 0.193 0.000 0.777 132 S HN 0.616 nan 8.310 nan 0.000 0.518 133 Y N 3.409 123.754 120.300 0.076 0.000 2.497 133 Y HA 0.316 4.865 4.550 -0.001 0.000 0.334 133 Y C 0.088 175.951 175.900 -0.062 0.000 1.199 133 Y CA -0.530 57.564 58.100 -0.009 0.000 1.425 133 Y CB 0.315 38.687 38.460 -0.147 0.000 1.291 133 Y HN 0.010 nan 8.280 nan 0.000 0.562 134 N N 7.540 125.698 118.700 -0.903 0.000 2.524 134 N HA 0.351 5.090 4.740 -0.001 0.000 0.261 134 N C -2.473 172.518 175.510 -0.865 0.000 0.998 134 N CA -2.648 50.019 53.050 -0.638 0.000 0.915 134 N CB 1.837 40.154 38.487 -0.284 0.000 1.187 134 N HN 0.308 nan 8.380 nan 0.000 0.507 135 P HA -0.055 nan 4.420 nan 0.000 0.222 135 P C 0.460 177.547 177.300 -0.356 0.000 1.142 135 P CA 1.016 63.868 63.100 -0.414 0.000 0.788 135 P CB 0.428 32.019 31.700 -0.182 0.000 0.767 136 N N -1.879 116.653 118.700 -0.282 0.000 2.409 136 N HA 0.029 4.769 4.740 -0.001 0.000 0.174 136 N C 0.284 175.697 175.510 -0.162 0.000 1.037 136 N CA 0.772 53.704 53.050 -0.195 0.000 0.898 136 N CB 0.010 38.417 38.487 -0.134 0.000 1.010 136 N HN -0.057 nan 8.380 nan 0.000 0.445 137 S N 1.339 116.931 115.700 -0.181 0.000 2.150 137 S HA 0.333 4.802 4.470 -0.001 0.000 0.171 137 S C -1.871 172.669 174.600 -0.099 0.000 1.620 137 S CA -1.226 56.919 58.200 -0.093 0.000 1.190 137 S CB 1.561 64.737 63.200 -0.040 0.000 1.102 137 S HN 0.023 nan 8.310 nan 0.000 0.464 138 P HA 0.112 nan 4.420 nan 0.000 0.215 138 P C 0.207 177.777 177.300 0.450 0.000 1.157 138 P CA 0.746 63.960 63.100 0.189 0.000 0.863 138 P CB 0.346 32.237 31.700 0.319 0.000 0.787 139 A N -2.692 120.368 122.820 0.400 0.000 2.581 139 A HA 0.606 4.926 4.320 -0.001 0.000 0.290 139 A C -1.148 176.541 177.584 0.175 0.000 1.119 139 A CA -0.407 51.867 52.037 0.395 0.000 0.670 139 A CB 0.416 19.764 19.000 0.579 0.000 1.280 139 A HN -0.155 nan 8.150 nan 0.000 0.425 140 T N 1.188 115.742 114.554 -0.001 0.000 2.749 140 T HA 0.455 4.804 4.350 -0.001 0.000 0.287 140 T C -0.296 174.200 174.700 -0.340 0.000 0.970 140 T CA 0.104 62.062 62.100 -0.237 0.000 0.980 140 T CB 0.274 68.800 68.868 -0.571 0.000 0.924 140 T HN 0.529 nan 8.240 nan 0.000 0.456 141 Y N 2.859 122.785 120.300 -0.624 0.000 2.788 141 Y HA 0.309 4.858 4.550 -0.001 0.000 0.341 141 Y C 0.051 175.631 175.900 -0.533 0.000 1.258 141 Y CA 0.091 57.578 58.100 -1.021 0.000 1.503 141 Y CB 0.189 38.239 38.460 -0.683 0.000 1.325 141 Y HN 0.812 nan 8.280 nan 0.000 0.614 142 A N 5.430 127.459 122.820 -1.318 0.000 2.566 142 A HA 0.340 4.659 4.320 -0.001 0.000 0.297 142 A C -1.351 175.679 177.584 -0.923 0.000 1.059 142 A CA -0.969 50.619 52.037 -0.748 0.000 0.691 142 A CB 0.918 19.755 19.000 -0.271 0.000 1.282 142 A HN 0.754 nan 8.150 nan 0.000 0.401 143 D N 1.080 121.151 120.400 -0.549 0.000 2.371 143 D HA 0.311 4.950 4.640 -0.001 0.000 0.242 143 D C -0.232 175.691 176.300 -0.628 0.000 1.218 143 D CA 0.317 54.008 54.000 -0.516 0.000 0.945 143 D CB 0.952 41.455 40.800 -0.494 0.000 1.137 143 D HN 0.582 nan 8.370 nan 0.000 0.464 144 E N -0.582 119.252 120.200 -0.610 0.000 2.227 144 E HA 0.416 4.765 4.350 -0.001 0.000 0.268 144 E C -1.156 175.055 176.600 -0.648 0.000 0.907 144 E CA -0.641 55.497 56.400 -0.435 0.000 0.786 144 E CB 1.640 31.270 29.700 -0.116 0.000 1.191 144 E HN 0.337 nan 8.360 nan 0.000 0.411 145 Y N 0.316 120.594 120.300 -0.036 0.000 2.499 145 Y HA 0.172 4.721 4.550 -0.001 0.000 0.347 145 Y C 0.639 176.478 175.900 -0.101 0.000 0.987 145 Y CA -0.829 57.136 58.100 -0.224 0.000 1.044 145 Y CB 1.626 39.804 38.460 -0.469 0.000 1.245 145 Y HN 0.507 nan 8.280 nan 0.000 0.461 146 E N 0.389 120.539 120.200 -0.084 0.000 2.515 146 E HA -0.090 4.259 4.350 -0.001 0.000 0.201 146 E C -0.513 176.117 176.600 0.051 0.000 1.071 146 E CA 0.890 57.259 56.400 -0.053 0.000 0.880 146 E CB 0.179 29.820 29.700 -0.098 0.000 0.828 146 E HN 0.362 nan 8.360 nan 0.000 0.540 147 D N -2.053 118.441 120.400 0.157 0.000 2.803 147 D HA 0.090 4.729 4.640 -0.001 0.000 0.218 147 D C -2.391 174.126 176.300 0.361 0.000 1.245 147 D CA -1.956 52.191 54.000 0.245 0.000 0.821 147 D CB 1.839 42.806 40.800 0.278 0.000 1.626 147 D HN -0.312 nan 8.370 nan 0.000 0.487 148 P HA -0.060 nan 4.420 nan 0.000 0.231 148 P C 1.132 178.421 177.300 -0.018 0.000 1.158 148 P CA 0.768 64.005 63.100 0.229 0.000 0.763 148 P CB 0.092 31.871 31.700 0.131 0.000 0.805 149 S N -2.833 112.657 115.700 -0.350 0.000 2.561 149 S HA -0.073 4.396 4.470 -0.001 0.000 0.225 149 S C 1.399 175.657 174.600 -0.570 0.000 0.977 149 S CA 0.313 57.824 58.200 -1.147 0.000 0.926 149 S CB -1.137 61.537 63.200 -0.877 0.000 0.769 149 S HN 0.115 nan 8.310 nan 0.000 0.533 150 Y N 0.381 120.520 120.300 -0.267 0.000 2.500 150 Y HA 0.372 4.921 4.550 -0.001 0.000 0.270 150 Y C 0.242 175.908 175.900 -0.390 0.000 1.134 150 Y CA -0.708 57.126 58.100 -0.443 0.000 1.293 150 Y CB -0.148 37.828 38.460 -0.805 0.000 1.063 150 Y HN 0.250 nan 8.280 nan 0.000 0.534 151 Y N 1.661 122.019 120.300 0.096 0.000 2.335 151 Y HA 0.313 4.863 4.550 -0.001 0.000 0.323 151 Y C -1.890 174.094 175.900 0.141 0.000 1.224 151 Y CA -3.436 54.771 58.100 0.177 0.000 1.241 151 Y CB -0.012 38.593 38.460 0.243 0.000 1.235 151 Y HN -0.149 nan 8.280 nan 0.000 0.492 152 P HA -0.009 nan 4.420 nan 0.000 0.271 152 P C -0.452 176.970 177.300 0.204 0.000 1.218 152 P CA -0.184 63.079 63.100 0.271 0.000 0.780 152 P CB 1.191 32.989 31.700 0.164 0.000 0.901 153 S N 1.182 117.043 115.700 0.269 0.000 2.565 153 S HA 0.111 4.580 4.470 -0.001 0.000 0.274 153 S C -0.082 174.620 174.600 0.170 0.000 1.309 153 S CA -0.550 57.784 58.200 0.223 0.000 1.043 153 S CB 0.038 63.343 63.200 0.173 0.000 0.939 153 S HN 0.460 nan 8.310 nan 0.000 0.504 154 E N 4.207 124.497 120.200 0.148 0.000 2.194 154 E HA 0.275 4.625 4.350 -0.001 0.000 0.284 154 E C -0.472 176.148 176.600 0.034 0.000 1.035 154 E CA -0.467 55.996 56.400 0.105 0.000 0.836 154 E CB 0.527 30.296 29.700 0.115 0.000 1.070 154 E HN 0.645 nan 8.360 nan 0.000 0.401 155 L N 4.635 125.841 121.223 -0.030 0.000 2.485 155 L HA 0.033 4.372 4.340 -0.001 0.000 0.275 155 L C 0.613 177.384 176.870 -0.164 0.000 1.207 155 L CA 0.763 55.474 54.840 -0.216 0.000 0.855 155 L CB 0.322 42.118 42.059 -0.438 0.000 1.114 155 L HN 0.519 nan 8.230 nan 0.000 0.485 156 K N 3.617 123.897 120.400 -0.200 0.000 2.961 156 K HA 0.183 4.502 4.320 -0.001 0.000 0.187 156 K C 0.472 177.041 176.600 -0.050 0.000 1.110 156 K CA -0.249 56.021 56.287 -0.028 0.000 0.968 156 K CB 0.383 32.935 32.500 0.086 0.000 1.287 156 K HN 0.363 nan 8.250 nan 0.000 0.578 157 F N 1.660 121.598 119.950 -0.020 0.000 2.147 157 F HA -0.361 4.165 4.527 -0.001 0.000 0.301 157 F C 2.018 177.797 175.800 -0.034 0.000 1.084 157 F CA 1.478 59.456 58.000 -0.035 0.000 1.268 157 F CB -0.417 38.551 39.000 -0.052 0.000 1.009 157 F HN 0.414 nan 8.300 nan 0.000 0.486 158 D N -0.430 120.087 120.400 0.196 0.000 2.087 158 D HA -0.190 4.449 4.640 -0.001 0.000 0.218 158 D C 1.952 178.270 176.300 0.031 0.000 0.982 158 D CA 1.994 56.049 54.000 0.092 0.000 0.900 158 D CB -1.346 39.500 40.800 0.077 0.000 1.072 158 D HN 0.291 nan 8.370 nan 0.000 0.459 159 T N -1.398 113.160 114.554 0.006 0.000 3.188 159 T HA 0.372 4.721 4.350 -0.001 0.000 0.250 159 T C 0.209 174.856 174.700 -0.088 0.000 1.077 159 T CA -0.119 61.962 62.100 -0.032 0.000 0.967 159 T CB -0.872 67.982 68.868 -0.023 0.000 1.006 159 T HN 0.353 nan 8.240 nan 0.000 0.552 160 V N 0.455 120.305 119.914 -0.106 0.000 2.447 160 V HA 0.892 5.012 4.120 -0.001 0.000 0.292 160 V C 0.137 176.150 176.094 -0.134 0.000 1.021 160 V CA -1.147 61.034 62.300 -0.199 0.000 0.850 160 V CB 1.063 32.650 31.823 -0.393 0.000 1.005 160 V HN 0.531 nan 8.190 nan 0.000 0.426 161 R N 3.883 124.310 120.500 -0.120 0.000 2.234 161 R HA 0.726 5.065 4.340 -0.001 0.000 0.324 161 R C -0.144 176.114 176.300 -0.070 0.000 1.054 161 R CA 0.362 56.417 56.100 -0.075 0.000 0.912 161 R CB 1.143 31.407 30.300 -0.060 0.000 1.030 161 R HN 1.704 nan 8.270 nan 0.000 0.455 162 V N 2.366 122.270 119.914 -0.016 0.000 3.133 162 V HA 0.685 4.805 4.120 -0.001 0.000 0.305 162 V C 1.283 177.418 176.094 0.068 0.000 1.084 162 V CA 0.465 62.808 62.300 0.071 0.000 1.089 162 V CB 1.643 33.560 31.823 0.157 0.000 1.073 162 V HN 1.078 nan 8.190 nan 0.000 0.477 163 G N 2.404 111.292 108.800 0.147 0.000 2.543 163 G HA2 0.476 4.435 3.960 -0.001 0.000 0.290 163 G HA3 0.476 4.435 3.960 -0.001 0.000 0.290 163 G C -0.480 174.393 174.900 -0.046 0.000 1.310 163 G CA -0.387 44.765 45.100 0.085 0.000 1.025 163 G HN 0.797 nan 8.290 nan 0.000 0.502 164 S N -0.604 114.983 115.700 -0.188 0.000 2.549 164 S HA 0.355 4.824 4.470 -0.001 0.000 0.297 164 S C -0.783 173.325 174.600 -0.820 0.000 1.115 164 S CA -0.434 57.519 58.200 -0.412 0.000 1.059 164 S CB 1.707 64.754 63.200 -0.256 0.000 1.046 164 S HN 0.610 nan 8.310 nan 0.000 0.506 165 D N 2.564 122.374 120.400 -0.983 0.000 2.411 165 D HA 0.271 4.910 4.640 -0.001 0.000 0.225 165 D C -1.709 174.234 176.300 -0.596 0.000 1.156 165 D CA -2.074 51.243 54.000 -1.137 0.000 0.874 165 D CB 1.080 41.394 40.800 -0.810 0.000 1.034 165 D HN 0.136 nan 8.370 nan 0.000 0.502 166 P HA 0.049 nan 4.420 nan 0.000 0.257 166 P C 0.619 177.710 177.300 -0.348 0.000 1.325 166 P CA 0.005 62.829 63.100 -0.459 0.000 0.850 166 P CB 0.859 32.177 31.700 -0.637 0.000 1.324 167 V N -1.652 118.079 119.914 -0.305 0.000 3.473 167 V HA 0.001 4.120 4.120 -0.001 0.000 0.253 167 V C 2.305 178.374 176.094 -0.042 0.000 1.340 167 V CA 0.469 62.699 62.300 -0.117 0.000 1.103 167 V CB -0.539 31.248 31.823 -0.060 0.000 0.881 167 V HN 0.092 nan 8.190 nan 0.000 0.451 168 H N 1.251 120.265 119.070 -0.094 0.000 2.387 168 H HA -0.157 4.399 4.556 -0.001 0.000 0.299 168 H C 2.203 177.541 175.328 0.016 0.000 1.099 168 H CA 2.355 58.403 56.048 -0.000 0.000 1.315 168 H CB 0.233 30.074 29.762 0.132 0.000 1.380 168 H HN 0.349 nan 8.280 nan 0.000 0.513 169 N N 0.373 119.109 118.700 0.060 0.000 2.043 169 N HA -0.161 4.578 4.740 -0.001 0.000 0.193 169 N C 1.674 177.151 175.510 -0.055 0.000 1.037 169 N CA 1.602 54.662 53.050 0.018 0.000 0.851 169 N CB -0.521 37.981 38.487 0.025 0.000 1.027 169 N HN 0.708 nan 8.380 nan 0.000 0.422 170 D N 0.909 121.274 120.400 -0.058 0.000 2.224 170 D HA -0.107 4.532 4.640 -0.001 0.000 0.205 170 D C 2.143 178.347 176.300 -0.161 0.000 0.965 170 D CA 0.382 54.328 54.000 -0.090 0.000 0.852 170 D CB -0.539 40.228 40.800 -0.055 0.000 0.947 170 D HN 0.250 nan 8.370 nan 0.000 0.494 171 L N 0.429 121.545 121.223 -0.178 0.000 1.994 171 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 171 L C 2.908 179.677 176.870 -0.169 0.000 1.071 171 L CA 0.862 55.567 54.840 -0.225 0.000 0.745 171 L CB -0.444 41.404 42.059 -0.352 0.000 0.892 171 L HN -0.058 nan 8.230 nan 0.000 0.431 172 V N -0.760 119.029 119.914 -0.209 0.000 2.287 172 V HA -0.357 3.763 4.120 -0.001 0.000 0.248 172 V C 2.750 178.791 176.094 -0.089 0.000 1.053 172 V CA 2.143 64.373 62.300 -0.117 0.000 1.027 172 V CB -0.486 31.270 31.823 -0.112 0.000 0.646 172 V HN 0.528 nan 8.190 nan 0.000 0.447 173 S N -0.400 115.230 115.700 -0.116 0.000 2.387 173 S HA -0.243 4.226 4.470 -0.001 0.000 0.230 173 S C 1.936 176.420 174.600 -0.194 0.000 1.035 173 S CA 2.016 60.145 58.200 -0.119 0.000 1.014 173 S CB -0.254 62.883 63.200 -0.105 0.000 0.836 173 S HN 0.651 nan 8.310 nan 0.000 0.466 174 A N -1.032 121.578 122.820 -0.350 0.000 1.943 174 A HA 0.290 4.609 4.320 -0.001 0.000 0.213 174 A C 1.521 178.755 177.584 -0.582 0.000 1.181 174 A CA 0.731 52.410 52.037 -0.596 0.000 0.653 174 A CB -0.344 18.059 19.000 -0.996 0.000 0.833 174 A HN 0.674 nan 8.150 nan 0.000 0.451 175 Y N -1.367 118.908 120.300 -0.041 0.000 2.430 175 Y HA 0.451 5.000 4.550 -0.001 0.000 0.254 175 Y C 1.435 177.365 175.900 0.050 0.000 1.088 175 Y CA -0.103 58.014 58.100 0.029 0.000 1.267 175 Y CB 0.191 38.747 38.460 0.160 0.000 1.204 175 Y HN 0.518 nan 8.280 nan 0.000 0.515 176 G N 0.751 109.637 108.800 0.143 0.000 2.447 176 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.220 176 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.220 176 G C -2.224 172.753 174.900 0.129 0.000 1.261 176 G CA -0.364 44.803 45.100 0.111 0.000 1.000 176 G HN -0.085 nan 8.290 nan 0.000 0.515 177 P HA 0.087 nan 4.420 nan 0.000 0.224 177 P C 0.538 177.932 177.300 0.157 0.000 1.157 177 P CA 0.589 63.787 63.100 0.163 0.000 0.799 177 P CB -0.050 31.745 31.700 0.159 0.000 0.809 178 N N 0.386 119.150 118.700 0.106 0.000 2.424 178 N HA 0.199 4.938 4.740 -0.001 0.000 0.257 178 N C 0.103 175.532 175.510 -0.135 0.000 1.250 178 N CA -0.090 52.975 53.050 0.024 0.000 0.946 178 N CB 0.111 38.597 38.487 -0.000 0.000 1.175 178 N HN -0.034 nan 8.380 nan 0.000 0.477 179 M N 1.194 120.587 119.600 -0.345 0.000 2.300 179 M HA 0.202 4.681 4.480 -0.001 0.000 0.348 179 M C -1.339 174.445 176.300 -0.860 0.000 1.151 179 M CA -0.437 54.343 55.300 -0.867 0.000 1.046 179 M CB 0.710 32.629 32.600 -1.135 0.000 1.647 179 M HN 0.470 nan 8.290 nan 0.000 0.451 180 Y N 5.817 125.139 120.300 -1.630 0.000 2.836 180 Y HA 0.620 5.170 4.550 -0.001 0.000 0.359 180 Y C -1.787 173.788 175.900 -0.542 0.000 1.060 180 Y CA -0.417 57.158 58.100 -0.875 0.000 1.161 180 Y CB 0.274 38.310 38.460 -0.707 0.000 1.225 180 Y HN 0.625 nan 8.280 nan 0.000 0.621 181 L N 2.569 123.495 121.223 -0.495 0.000 2.283 181 L HA 0.585 4.924 4.340 -0.001 0.000 0.259 181 L C -0.538 176.214 176.870 -0.196 0.000 1.027 181 L CA -1.366 53.316 54.840 -0.264 0.000 0.828 181 L CB 2.366 44.326 42.059 -0.164 0.000 1.380 181 L HN 0.231 nan 8.230 nan 0.000 0.425 182 M N 0.509 120.047 119.600 -0.103 0.000 2.144 182 M HA 0.259 4.738 4.480 -0.001 0.000 0.356 182 M C -0.557 175.798 176.300 0.092 0.000 1.217 182 M CA -0.565 54.689 55.300 -0.077 0.000 1.087 182 M CB 1.007 33.540 32.600 -0.113 0.000 1.609 182 M HN 0.399 nan 8.290 nan 0.000 0.467 183 H N 4.026 123.084 119.070 -0.021 0.000 2.848 183 H HA -0.042 4.513 4.556 -0.001 0.000 0.341 183 H C 0.660 176.110 175.328 0.203 0.000 1.060 183 H CA 0.339 56.416 56.048 0.049 0.000 1.444 183 H CB 0.647 30.246 29.762 -0.272 0.000 1.446 183 H HN 0.741 nan 8.280 nan 0.000 0.583 184 W N 5.321 126.310 121.300 -0.517 0.000 2.519 184 W HA 0.056 4.715 4.660 -0.001 0.000 0.266 184 W C -1.116 175.362 176.519 -0.069 0.000 1.253 184 W CA -0.159 57.063 57.345 -0.204 0.000 1.274 184 W CB -0.151 29.231 29.460 -0.130 0.000 1.114 184 W HN 0.384 nan 8.180 nan 0.000 0.596 185 L N 1.742 122.454 121.223 -0.853 0.000 2.439 185 L HA 0.518 4.857 4.340 -0.001 0.000 0.270 185 L C -0.899 175.927 176.870 -0.073 0.000 0.972 185 L CA -1.045 53.346 54.840 -0.748 0.000 0.836 185 L CB 1.931 43.027 42.059 -1.606 0.000 1.255 185 L HN 0.022 nan 8.230 nan 0.000 0.404 186 M N 3.813 123.415 119.600 0.002 0.000 2.327 186 M HA 0.402 4.881 4.480 -0.001 0.000 0.298 186 M C -1.437 174.901 176.300 0.064 0.000 1.065 186 M CA -0.562 54.780 55.300 0.070 0.000 0.916 186 M CB 1.750 34.382 32.600 0.054 0.000 1.630 186 M HN 0.625 nan 8.290 nan 0.000 0.442 187 D N 4.474 124.927 120.400 0.089 0.000 2.470 187 D HA 0.157 4.796 4.640 -0.001 0.000 0.226 187 D C 0.935 177.305 176.300 0.117 0.000 1.196 187 D CA -0.044 54.057 54.000 0.168 0.000 0.979 187 D CB 0.665 41.609 40.800 0.240 0.000 1.059 187 D HN 0.514 nan 8.370 nan 0.000 0.515 188 V N 2.958 122.945 119.914 0.121 0.000 2.287 188 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 188 V C 1.223 177.343 176.094 0.043 0.000 1.053 188 V CA 1.640 63.965 62.300 0.041 0.000 1.027 188 V CB -0.149 31.723 31.823 0.081 0.000 0.646 188 V HN 0.536 nan 8.190 nan 0.000 0.447 189 D N -0.463 120.024 120.400 0.145 0.000 2.559 189 D HA 0.138 4.778 4.640 -0.001 0.000 0.234 189 D C 0.413 176.780 176.300 0.111 0.000 1.226 189 D CA -0.107 53.964 54.000 0.118 0.000 0.830 189 D CB -0.171 40.727 40.800 0.163 0.000 1.028 189 D HN 0.410 nan 8.370 nan 0.000 0.492 190 N N 0.335 119.099 118.700 0.108 0.000 2.725 190 N HA -0.241 4.498 4.740 -0.001 0.000 0.251 190 N C 0.444 175.965 175.510 0.019 0.000 1.031 190 N CA 0.216 53.311 53.050 0.074 0.000 0.720 190 N CB -1.428 37.081 38.487 0.037 0.000 0.930 190 N HN 0.492 nan 8.380 nan 0.000 0.543 191 W N -0.070 121.117 121.300 -0.188 0.000 2.402 191 W HA 0.011 4.670 4.660 -0.001 0.000 0.286 191 W C 1.333 177.499 176.519 -0.588 0.000 1.221 191 W CA 1.194 58.279 57.345 -0.434 0.000 1.257 191 W CB -0.433 28.593 29.460 -0.723 0.000 1.120 191 W HN 0.417 nan 8.180 nan 0.000 0.551 192 Y N 0.319 120.384 120.300 -0.391 0.000 2.509 192 Y HA 0.114 4.663 4.550 -0.001 0.000 0.293 192 Y C 2.410 177.783 175.900 -0.879 0.000 1.133 192 Y CA 1.626 59.307 58.100 -0.699 0.000 1.283 192 Y CB -0.509 37.692 38.460 -0.432 0.000 1.001 192 Y HN 0.137 nan 8.280 nan 0.000 0.555 193 G N -1.314 107.213 108.800 -0.454 0.000 2.179 193 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.260 193 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.260 193 G C 0.890 175.508 174.900 -0.469 0.000 0.977 193 G CA 0.389 45.211 45.100 -0.462 0.000 0.641 193 G HN 0.340 nan 8.290 nan 0.000 0.533 194 F N 1.494 121.302 119.950 -0.237 0.000 2.307 194 F HA 0.235 4.762 4.527 -0.001 0.000 0.301 194 F C 2.200 178.034 175.800 0.056 0.000 1.076 194 F CA 1.243 59.138 58.000 -0.175 0.000 1.383 194 F CB -0.422 38.547 39.000 -0.052 0.000 1.055 194 F HN 0.437 nan 8.300 nan 0.000 0.526 195 G N -1.371 107.548 108.800 0.198 0.000 2.753 195 G HA2 0.415 4.374 3.960 -0.001 0.000 0.285 195 G HA3 0.415 4.374 3.960 -0.001 0.000 0.285 195 G C -0.764 174.224 174.900 0.146 0.000 1.344 195 G CA -0.496 44.716 45.100 0.187 0.000 1.050 195 G HN -0.110 nan 8.290 nan 0.000 0.532 196 T N 0.284 114.914 114.554 0.127 0.000 2.832 196 T HA 0.477 4.826 4.350 -0.001 0.000 0.296 196 T C 1.279 176.022 174.700 0.072 0.000 0.968 196 T CA 1.058 63.219 62.100 0.103 0.000 1.107 196 T CB 0.648 69.573 68.868 0.095 0.000 0.916 196 T HN 1.514 nan 8.240 nan 0.000 0.517 197 G N 3.670 112.503 108.800 0.056 0.000 2.685 197 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.329 197 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.329 197 G C 0.972 175.889 174.900 0.028 0.000 1.271 197 G CA 0.821 45.943 45.100 0.037 0.000 1.003 197 G HN 0.709 nan 8.290 nan 0.000 0.549 198 T N 2.188 116.762 114.554 0.032 0.000 3.214 198 T HA 0.329 4.678 4.350 -0.001 0.000 0.264 198 T C 1.006 175.722 174.700 0.028 0.000 1.012 198 T CA 0.062 62.179 62.100 0.029 0.000 0.901 198 T CB -0.226 68.659 68.868 0.029 0.000 1.070 198 T HN 0.436 nan 8.240 nan 0.000 0.561 199 R N 1.536 122.061 120.500 0.042 0.000 2.438 199 R HA 0.567 4.906 4.340 -0.001 0.000 0.287 199 R C 0.384 176.702 176.300 0.031 0.000 1.077 199 R CA -0.374 55.755 56.100 0.050 0.000 1.034 199 R CB 0.686 31.041 30.300 0.092 0.000 0.993 199 R HN 0.252 nan 8.270 nan 0.000 0.459 200 A N 2.417 125.226 122.820 -0.019 0.000 2.511 200 A HA 0.185 4.504 4.320 -0.001 0.000 0.242 200 A C -0.178 177.379 177.584 -0.045 0.000 1.069 200 A CA 0.421 52.421 52.037 -0.061 0.000 0.763 200 A CB 0.346 19.229 19.000 -0.197 0.000 1.001 200 A HN 0.643 nan 8.150 nan 0.000 0.498 201 T N 2.421 116.940 114.554 -0.058 0.000 2.928 201 T HA 0.445 4.794 4.350 -0.001 0.000 0.296 201 T C -0.516 174.145 174.700 -0.066 0.000 1.000 201 T CA -0.197 61.878 62.100 -0.042 0.000 0.989 201 T CB 0.543 69.470 68.868 0.097 0.000 1.005 201 T HN 0.375 nan 8.240 nan 0.000 0.442 202 F N 3.963 123.951 119.950 0.063 0.000 2.578 202 F HA 0.343 4.869 4.527 -0.001 0.000 0.381 202 F C 0.969 176.727 175.800 -0.070 0.000 1.069 202 F CA -0.445 57.550 58.000 -0.007 0.000 1.231 202 F CB 0.149 39.097 39.000 -0.088 0.000 1.086 202 F HN 0.443 nan 8.300 nan 0.000 0.564 203 I N 0.459 121.100 120.570 0.117 0.000 3.002 203 I HA 0.695 4.864 4.170 -0.001 0.000 0.310 203 I C -1.035 175.027 176.117 -0.092 0.000 1.087 203 I CA -1.006 60.232 61.300 -0.104 0.000 1.017 203 I CB 2.344 40.245 38.000 -0.165 0.000 1.226 203 I HN 0.434 nan 8.210 nan 0.000 0.443 204 N N 0.242 118.714 118.700 -0.381 0.000 2.455 204 N HA 0.650 5.389 4.740 -0.001 0.000 0.278 204 N C -0.319 174.792 175.510 -0.666 0.000 1.291 204 N CA 0.155 53.027 53.050 -0.297 0.000 0.780 204 N CB 2.407 40.855 38.487 -0.065 0.000 1.520 204 N HN 0.946 nan 8.380 nan 0.000 0.486 205 T N -2.291 112.111 114.554 -0.253 0.000 3.413 205 T HA 0.372 4.722 4.350 -0.001 0.000 0.187 205 T C 0.273 174.858 174.700 -0.191 0.000 0.961 205 T CA -0.122 61.770 62.100 -0.348 0.000 1.085 205 T CB -0.777 67.823 68.868 -0.448 0.000 1.345 205 T HN 0.212 nan 8.240 nan 0.000 0.326 206 F N 3.206 123.195 119.950 0.064 0.000 2.593 206 F HA 0.325 4.851 4.527 -0.001 0.000 0.393 206 F C 1.695 177.448 175.800 -0.078 0.000 1.037 206 F CA 0.147 58.155 58.000 0.014 0.000 1.195 206 F CB 0.270 39.316 39.000 0.077 0.000 1.034 206 F HN 0.316 nan 8.300 nan 0.000 0.552 207 Q N 2.400 122.181 119.800 -0.032 0.000 1.988 207 Q HA 0.143 4.482 4.340 -0.001 0.000 0.202 207 Q C 0.101 175.930 176.000 -0.285 0.000 0.760 207 Q CA 0.060 55.717 55.803 -0.243 0.000 0.940 207 Q CB 0.886 29.145 28.738 -0.797 0.000 1.214 207 Q HN 0.695 nan 8.270 nan 0.000 0.432 208 R N 0.433 120.746 120.500 -0.312 0.000 2.782 208 R HA 0.461 4.800 4.340 -0.001 0.000 0.293 208 R C 0.191 176.250 176.300 -0.403 0.000 1.333 208 R CA 0.252 55.809 56.100 -0.905 0.000 1.479 208 R CB 1.315 31.204 30.300 -0.685 0.000 1.306 208 R HN 0.218 nan 8.270 nan 0.000 0.654 209 G N 1.748 110.503 108.800 -0.074 0.000 2.782 209 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.228 209 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.228 209 G C 0.745 175.708 174.900 0.105 0.000 1.372 209 G CA 0.063 45.235 45.100 0.120 0.000 0.862 209 G HN 0.533 nan 8.290 nan 0.000 0.547 210 E N -0.639 119.583 120.200 0.036 0.000 2.265 210 E HA -0.138 4.211 4.350 -0.001 0.000 0.196 210 E C 1.534 178.195 176.600 0.101 0.000 0.996 210 E CA 1.555 57.960 56.400 0.008 0.000 0.832 210 E CB -0.044 29.573 29.700 -0.139 0.000 0.756 210 E HN 0.487 nan 8.360 nan 0.000 0.491 211 Q N 0.615 120.478 119.800 0.105 0.000 2.319 211 Q HA 0.115 4.454 4.340 -0.001 0.000 0.202 211 Q C -0.084 175.994 176.000 0.130 0.000 0.896 211 Q CA 0.115 55.982 55.803 0.106 0.000 0.942 211 Q CB 0.700 29.495 28.738 0.094 0.000 1.083 211 Q HN 0.386 nan 8.270 nan 0.000 0.510 212 E N 2.422 122.714 120.200 0.154 0.000 1.861 212 E HA 0.099 4.448 4.350 -0.001 0.000 0.263 212 E C -0.192 176.517 176.600 0.181 0.000 1.137 212 E CA -0.188 56.308 56.400 0.159 0.000 0.944 212 E CB 0.394 30.177 29.700 0.139 0.000 1.092 212 E HN 0.163 nan 8.360 nan 0.000 0.420 213 S N 1.953 117.745 115.700 0.154 0.000 2.617 213 S HA -0.014 4.455 4.470 -0.001 0.000 0.255 213 S C 1.500 176.178 174.600 0.130 0.000 1.318 213 S CA 0.142 58.436 58.200 0.157 0.000 0.978 213 S CB 0.882 64.214 63.200 0.219 0.000 0.961 213 S HN 0.498 nan 8.310 nan 0.000 0.582 214 T N -2.275 112.295 114.554 0.027 0.000 2.929 214 T HA -0.090 4.259 4.350 -0.001 0.000 0.271 214 T C 1.065 175.583 174.700 -0.303 0.000 1.085 214 T CA 1.107 63.044 62.100 -0.273 0.000 1.125 214 T CB -0.660 67.948 68.868 -0.433 0.000 0.874 214 T HN 0.764 nan 8.240 nan 0.000 0.494 215 W N 1.831 123.125 121.300 -0.010 0.000 2.737 215 W HA 0.308 4.967 4.660 -0.001 0.000 0.262 215 W C 1.876 178.486 176.519 0.153 0.000 1.282 215 W CA -0.196 57.154 57.345 0.008 0.000 1.386 215 W CB 0.062 29.426 29.460 -0.160 0.000 1.099 215 W HN 0.289 nan 8.180 nan 0.000 0.621 216 E N 0.138 120.494 120.200 0.260 0.000 2.451 216 E HA 0.039 4.388 4.350 -0.001 0.000 0.194 216 E C 0.758 177.437 176.600 0.132 0.000 1.027 216 E CA 0.095 56.618 56.400 0.206 0.000 0.914 216 E CB 0.154 29.967 29.700 0.189 0.000 1.054 216 E HN 0.045 nan 8.360 nan 0.000 0.461 217 T N -1.810 112.779 114.554 0.058 0.000 2.923 217 T HA 0.602 4.951 4.350 -0.001 0.000 0.281 217 T C 0.116 174.836 174.700 0.034 0.000 0.995 217 T CA -0.751 61.341 62.100 -0.013 0.000 0.985 217 T CB 1.390 70.108 68.868 -0.249 0.000 1.114 217 T HN -0.046 nan 8.240 nan 0.000 0.548 218 I N 1.932 122.554 120.570 0.085 0.000 2.448 218 I HA 0.341 4.510 4.170 -0.001 0.000 0.281 218 I C -2.626 173.544 176.117 0.089 0.000 1.027 218 I CA -2.614 58.761 61.300 0.125 0.000 1.111 218 I CB 2.062 40.194 38.000 0.220 0.000 1.236 218 I HN 0.424 nan 8.210 nan 0.000 0.452 219 P HA 0.146 nan 4.420 nan 0.000 0.269 219 P C -1.081 175.907 177.300 -0.520 0.000 1.215 219 P CA 0.355 63.173 63.100 -0.470 0.000 0.780 219 P CB 0.441 31.639 31.700 -0.836 0.000 0.898 220 H N -0.716 117.882 119.070 -0.787 0.000 3.037 220 H HA 0.390 4.945 4.556 -0.001 0.000 0.336 220 H C -3.249 171.395 175.328 -1.140 0.000 1.323 220 H CA -2.568 52.624 56.048 -1.427 0.000 1.159 220 H CB 0.808 29.855 29.762 -1.191 0.000 1.882 220 H HN 0.128 nan 8.280 nan 0.000 0.535 221 P HA 0.129 nan 4.420 nan 0.000 0.275 221 P C 0.318 177.502 177.300 -0.194 0.000 1.228 221 P CA -0.244 62.528 63.100 -0.546 0.000 0.786 221 P CB 1.528 33.006 31.700 -0.370 0.000 0.927 222 S N 1.632 117.260 115.700 -0.121 0.000 2.387 222 S HA 0.049 4.518 4.470 -0.001 0.000 0.226 222 S C 1.168 175.698 174.600 -0.117 0.000 1.026 222 S CA 0.640 58.751 58.200 -0.149 0.000 0.972 222 S CB -0.388 62.644 63.200 -0.281 0.000 0.814 222 S HN 0.458 nan 8.310 nan 0.000 0.477 223 I N 2.703 123.262 120.570 -0.018 0.000 2.256 223 I HA 0.183 4.353 4.170 -0.001 0.000 0.294 223 I C -0.163 175.984 176.117 0.050 0.000 1.127 223 I CA -0.290 61.033 61.300 0.037 0.000 1.247 223 I CB 0.565 38.621 38.000 0.094 0.000 1.460 223 I HN 0.015 nan 8.210 nan 0.000 0.511 224 E N 6.096 126.317 120.200 0.035 0.000 1.996 224 E HA 0.086 4.435 4.350 -0.001 0.000 0.280 224 E C 0.280 176.820 176.600 -0.099 0.000 1.092 224 E CA 0.187 56.612 56.400 0.041 0.000 0.862 224 E CB 0.477 30.230 29.700 0.088 0.000 1.066 224 E HN 0.355 nan 8.360 nan 0.000 0.396 225 E N 4.336 124.526 120.200 -0.017 0.000 2.501 225 E HA 0.048 4.397 4.350 -0.001 0.000 0.200 225 E C -0.158 176.441 176.600 -0.002 0.000 1.016 225 E CA -0.292 56.066 56.400 -0.069 0.000 0.921 225 E CB 0.012 29.738 29.700 0.044 0.000 1.034 225 E HN 0.623 nan 8.360 nan 0.000 0.468 226 F N -0.262 119.768 119.950 0.133 0.000 2.945 226 F HA -0.364 4.162 4.527 -0.001 0.000 0.334 226 F C 2.080 177.903 175.800 0.039 0.000 0.683 226 F CA 1.186 59.240 58.000 0.091 0.000 1.044 226 F CB -2.259 36.774 39.000 0.054 0.000 1.478 226 F HN 0.240 nan 8.300 nan 0.000 0.324 227 K N -0.605 119.898 120.400 0.171 0.000 2.218 227 K HA -0.031 4.289 4.320 -0.001 0.000 0.205 227 K C 0.642 177.036 176.600 -0.343 0.000 1.046 227 K CA 2.185 58.399 56.287 -0.121 0.000 0.933 227 K CB -0.680 31.697 32.500 -0.205 0.000 0.728 227 K HN 0.526 nan 8.250 nan 0.000 0.454 228 Y N -2.983 117.487 120.300 0.283 0.000 2.790 228 Y HA 0.493 5.043 4.550 -0.001 0.000 0.323 228 Y C 1.521 177.523 175.900 0.170 0.000 1.230 228 Y CA -0.738 57.534 58.100 0.287 0.000 1.121 228 Y CB 1.584 40.340 38.460 0.492 0.000 1.328 228 Y HN 0.422 nan 8.280 nan 0.000 0.514 229 G N 0.020 108.932 108.800 0.186 0.000 2.498 229 G HA2 0.060 4.019 3.960 -0.001 0.000 0.251 229 G HA3 0.060 4.019 3.960 -0.001 0.000 0.251 229 G C 0.259 174.975 174.900 -0.307 0.000 1.170 229 G CA -0.193 44.616 45.100 -0.484 0.000 0.944 229 G HN 1.289 nan 8.290 nan 0.000 0.567 230 G N -0.608 107.937 108.800 -0.424 0.000 2.849 230 G HA2 0.658 4.617 3.960 -0.001 0.000 0.174 230 G HA3 0.658 4.617 3.960 -0.001 0.000 0.174 230 G C -0.941 173.696 174.900 -0.437 0.000 1.370 230 G CA 0.611 45.338 45.100 -0.621 0.000 1.040 230 G HN 0.643 nan 8.290 nan 0.000 0.582 231 P HA 0.012 nan 4.420 nan 0.000 0.217 231 P C 0.553 177.467 177.300 -0.643 0.000 1.151 231 P CA 0.840 63.673 63.100 -0.444 0.000 0.828 231 P CB 0.234 31.698 31.700 -0.394 0.000 0.788 232 N N -0.453 117.873 118.700 -0.622 0.000 2.635 232 N HA 0.176 4.915 4.740 -0.001 0.000 0.307 232 N C 1.179 176.550 175.510 -0.233 0.000 1.433 232 N CA 0.538 53.083 53.050 -0.841 0.000 0.973 232 N CB 0.260 38.347 38.487 -0.667 0.000 1.304 232 N HN 0.054 nan 8.380 nan 0.000 0.507 233 G N 1.705 110.477 108.800 -0.047 0.000 2.699 233 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.351 233 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.351 233 G C 0.467 175.349 174.900 -0.030 0.000 1.191 233 G CA 1.035 46.265 45.100 0.216 0.000 0.953 233 G HN 0.406 nan 8.290 nan 0.000 0.557 234 F N 0.534 120.615 119.950 0.218 0.000 2.746 234 F HA 0.443 4.970 4.527 -0.001 0.000 0.313 234 F C 2.457 178.154 175.800 -0.171 0.000 1.095 234 F CA 0.222 58.233 58.000 0.019 0.000 1.224 234 F CB -0.105 38.903 39.000 0.013 0.000 1.060 234 F HN 0.204 nan 8.300 nan 0.000 0.584 235 L N 0.861 122.193 121.223 0.181 0.000 2.011 235 L HA -0.318 4.021 4.340 -0.001 0.000 0.225 235 L C 1.902 178.719 176.870 -0.089 0.000 1.084 235 L CA 2.176 57.095 54.840 0.132 0.000 0.791 235 L CB -0.844 41.350 42.059 0.226 0.000 0.898 235 L HN 0.221 nan 8.230 nan 0.000 0.440 236 D N -0.430 119.803 120.400 -0.279 0.000 2.392 236 D HA -0.112 4.528 4.640 -0.001 0.000 0.228 236 D C 1.917 178.020 176.300 -0.328 0.000 1.003 236 D CA 0.604 54.453 54.000 -0.253 0.000 0.917 236 D CB -0.434 40.181 40.800 -0.308 0.000 0.890 236 D HN 0.356 nan 8.370 nan 0.000 0.532 237 L N -1.296 119.492 121.223 -0.725 0.000 2.179 237 L HA 0.003 4.342 4.340 -0.001 0.000 0.208 237 L C 1.288 177.718 176.870 -0.734 0.000 1.096 237 L CA 0.859 55.038 54.840 -1.103 0.000 0.779 237 L CB -0.163 40.839 42.059 -1.761 0.000 0.922 237 L HN 0.023 nan 8.230 nan 0.000 0.443 238 F N -1.965 117.986 119.950 0.001 0.000 2.577 238 F HA 0.144 4.671 4.527 -0.001 0.000 0.276 238 F C 0.972 176.903 175.800 0.218 0.000 1.032 238 F CA -0.361 57.705 58.000 0.111 0.000 1.297 238 F CB -0.340 38.661 39.000 0.002 0.000 1.061 238 F HN -0.198 nan 8.300 nan 0.000 0.680 239 T N -0.604 114.141 114.554 0.317 0.000 2.847 239 T HA 0.338 4.687 4.350 -0.001 0.000 0.291 239 T C -0.691 174.182 174.700 0.289 0.000 0.998 239 T CA -0.815 61.444 62.100 0.264 0.000 0.967 239 T CB 2.026 71.015 68.868 0.202 0.000 0.954 239 T HN 0.016 nan 8.240 nan 0.000 0.441 240 K N 2.959 123.505 120.400 0.245 0.000 2.292 240 K HA 0.212 4.531 4.320 -0.001 0.000 0.290 240 K C -0.836 175.881 176.600 0.195 0.000 1.083 240 K CA -0.317 56.132 56.287 0.270 0.000 0.918 240 K CB 0.356 32.972 32.500 0.194 0.000 1.089 240 K HN 0.655 nan 8.250 nan 0.000 0.473 241 D N 2.694 123.179 120.400 0.143 0.000 2.340 241 D HA 0.325 4.964 4.640 -0.001 0.000 0.243 241 D C 1.183 177.340 176.300 -0.239 0.000 0.988 241 D CA -0.201 53.763 54.000 -0.060 0.000 0.959 241 D CB 1.609 42.303 40.800 -0.177 0.000 1.226 241 D HN 0.463 nan 8.370 nan 0.000 0.509 242 R N 1.151 121.575 120.500 -0.127 0.000 2.081 242 R HA 0.200 4.539 4.340 -0.001 0.000 0.235 242 R C 1.253 177.360 176.300 -0.321 0.000 1.131 242 R CA 2.110 58.085 56.100 -0.208 0.000 0.960 242 R CB -1.493 28.648 30.300 -0.264 0.000 0.856 242 R HN 0.700 nan 8.270 nan 0.000 0.436 243 S N -2.134 113.308 115.700 -0.430 0.000 2.579 243 S HA 0.734 5.203 4.470 -0.001 0.000 0.272 243 S C -1.083 173.224 174.600 -0.488 0.000 1.141 243 S CA -0.728 57.234 58.200 -0.396 0.000 0.843 243 S CB 1.080 64.166 63.200 -0.189 0.000 1.122 243 S HN 0.360 nan 8.310 nan 0.000 0.468 244 Y N 1.031 121.398 120.300 0.110 0.000 2.328 244 Y HA 0.638 5.187 4.550 -0.001 0.000 0.333 244 Y C 0.395 176.512 175.900 0.362 0.000 0.958 244 Y CA -0.695 57.544 58.100 0.232 0.000 1.167 244 Y CB 1.782 40.374 38.460 0.221 0.000 1.151 244 Y HN 0.879 nan 8.280 nan 0.000 0.470 245 A N 3.473 126.584 122.820 0.485 0.000 2.355 245 A HA 0.591 4.910 4.320 -0.001 0.000 0.324 245 A C -0.710 177.032 177.584 0.263 0.000 1.117 245 A CA -1.228 51.051 52.037 0.404 0.000 0.785 245 A CB 0.823 20.038 19.000 0.358 0.000 1.254 245 A HN 0.768 nan 8.150 nan 0.000 0.453 246 K N 1.607 121.976 120.400 -0.051 0.000 2.472 246 K HA 0.156 4.475 4.320 -0.001 0.000 0.280 246 K C 0.211 176.813 176.600 0.004 0.000 1.028 246 K CA 0.649 56.751 56.287 -0.309 0.000 1.045 246 K CB 0.107 32.437 32.500 -0.283 0.000 0.902 246 K HN 0.826 nan 8.250 nan 0.000 0.478 247 Q N 3.298 123.090 119.800 -0.014 0.000 2.626 247 Q HA 0.515 4.854 4.340 -0.001 0.000 0.300 247 Q C -1.279 174.719 176.000 -0.003 0.000 0.988 247 Q CA -1.198 54.596 55.803 -0.015 0.000 0.761 247 Q CB 1.545 30.313 28.738 0.049 0.000 1.494 247 Q HN 0.671 nan 8.270 nan 0.000 0.439 248 W N 0.057 121.220 121.300 -0.228 0.000 2.864 248 W HA 0.837 5.496 4.660 -0.001 0.000 0.343 248 W C -1.295 174.928 176.519 -0.493 0.000 1.109 248 W CA -0.927 56.183 57.345 -0.392 0.000 1.192 248 W CB 1.803 30.987 29.460 -0.460 0.000 1.426 248 W HN 0.912 nan 8.180 nan 0.000 0.529 249 R N 2.176 122.319 120.500 -0.595 0.000 2.536 249 R HA 0.429 4.768 4.340 -0.001 0.000 0.269 249 R C -2.272 173.477 176.300 -0.919 0.000 1.113 249 R CA -0.398 55.313 56.100 -0.650 0.000 0.948 249 R CB 1.852 32.082 30.300 -0.116 0.000 1.237 249 R HN 0.547 nan 8.270 nan 0.000 0.441 250 Y N 0.477 120.387 120.300 -0.652 0.000 2.570 250 Y HA 0.553 5.102 4.550 -0.001 0.000 0.345 250 Y C -0.210 175.581 175.900 -0.182 0.000 1.014 250 Y CA -0.757 56.994 58.100 -0.583 0.000 1.063 250 Y CB 2.914 40.643 38.460 -1.219 0.000 1.272 250 Y HN 0.431 nan 8.280 nan 0.000 0.477 251 T N 2.780 117.632 114.554 0.497 0.000 2.928 251 T HA 0.277 4.627 4.350 -0.001 0.000 0.296 251 T C -0.972 173.951 174.700 0.372 0.000 1.000 251 T CA -1.102 61.224 62.100 0.377 0.000 0.989 251 T CB 0.875 69.904 68.868 0.268 0.000 1.005 251 T HN 0.668 nan 8.240 nan 0.000 0.442 252 N N 1.385 120.316 118.700 0.386 0.000 2.472 252 N HA 0.633 5.372 4.740 -0.001 0.000 0.289 252 N C -1.129 174.478 175.510 0.161 0.000 1.156 252 N CA -0.899 52.320 53.050 0.281 0.000 0.940 252 N CB 1.704 40.359 38.487 0.279 0.000 1.200 252 N HN 0.638 nan 8.380 nan 0.000 0.511 253 A N 2.062 124.928 122.820 0.078 0.000 2.328 253 A HA 0.451 4.771 4.320 -0.001 0.000 0.318 253 A C -1.648 175.853 177.584 -0.139 0.000 1.347 253 A CA -1.499 50.488 52.037 -0.082 0.000 0.842 253 A CB 1.015 19.927 19.000 -0.147 0.000 1.148 253 A HN 0.686 nan 8.150 nan 0.000 0.499 254 P HA -0.218 nan 4.420 nan 0.000 0.218 254 P C 0.817 178.003 177.300 -0.191 0.000 1.148 254 P CA 1.639 64.699 63.100 -0.067 0.000 0.822 254 P CB 0.091 31.811 31.700 0.033 0.000 0.784 255 D N 0.644 120.757 120.400 -0.478 0.000 2.221 255 D HA -0.165 4.474 4.640 -0.001 0.000 0.204 255 D C 1.796 177.893 176.300 -0.338 0.000 0.982 255 D CA 1.551 55.260 54.000 -0.484 0.000 0.857 255 D CB -0.896 39.418 40.800 -0.809 0.000 0.934 255 D HN 0.161 nan 8.370 nan 0.000 0.475 256 A N 0.955 123.614 122.820 -0.267 0.000 1.873 256 A HA -0.174 4.146 4.320 -0.001 0.000 0.215 256 A C 2.198 179.713 177.584 -0.116 0.000 1.186 256 A CA 1.668 53.609 52.037 -0.160 0.000 0.616 256 A CB -0.622 18.349 19.000 -0.047 0.000 0.823 256 A HN 0.167 nan 8.150 nan 0.000 0.442 257 E N -0.200 119.956 120.200 -0.074 0.000 2.077 257 E HA -0.043 4.306 4.350 -0.001 0.000 0.193 257 E C 2.111 178.697 176.600 -0.022 0.000 0.989 257 E CA 1.179 57.569 56.400 -0.016 0.000 0.800 257 E CB -0.620 29.100 29.700 0.033 0.000 0.746 257 E HN 0.554 nan 8.360 nan 0.000 0.452 258 G N 0.762 109.524 108.800 -0.064 0.000 2.491 258 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.218 258 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.218 258 G C 1.581 176.391 174.900 -0.150 0.000 1.180 258 G CA 1.094 46.140 45.100 -0.091 0.000 0.774 258 G HN 0.176 nan 8.290 nan 0.000 0.562 259 R N 0.546 120.901 120.500 -0.241 0.000 2.081 259 R HA 0.020 4.360 4.340 -0.001 0.000 0.235 259 R C 2.882 178.993 176.300 -0.314 0.000 1.131 259 R CA 1.467 57.320 56.100 -0.411 0.000 0.960 259 R CB -0.379 29.584 30.300 -0.561 0.000 0.856 259 R HN 0.315 nan 8.270 nan 0.000 0.436 260 A N 0.695 123.445 122.820 -0.117 0.000 1.930 260 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 260 A C 2.081 179.779 177.584 0.191 0.000 1.175 260 A CA 1.250 53.334 52.037 0.079 0.000 0.627 260 A CB -0.343 18.728 19.000 0.118 0.000 0.815 260 A HN 0.341 nan 8.150 nan 0.000 0.443 261 I N -0.806 119.830 120.570 0.110 0.000 2.233 261 I HA -0.258 3.912 4.170 -0.001 0.000 0.243 261 I C 2.710 178.802 176.117 -0.042 0.000 1.093 261 I CA 1.498 62.842 61.300 0.073 0.000 1.380 261 I CB -0.392 37.599 38.000 -0.015 0.000 1.067 261 I HN 0.514 nan 8.210 nan 0.000 0.413 262 Q N 1.488 121.250 119.800 -0.064 0.000 2.118 262 Q HA -0.323 4.016 4.340 -0.001 0.000 0.211 262 Q C 2.264 178.334 176.000 0.117 0.000 0.998 262 Q CA 2.577 58.422 55.803 0.070 0.000 0.872 262 Q CB -0.211 28.518 28.738 -0.016 0.000 0.925 262 Q HN 0.559 nan 8.270 nan 0.000 0.414 263 A N -0.156 122.636 122.820 -0.047 0.000 1.933 263 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 263 A C 2.189 179.939 177.584 0.277 0.000 1.175 263 A CA 1.586 53.681 52.037 0.096 0.000 0.628 263 A CB -0.575 18.466 19.000 0.068 0.000 0.814 263 A HN 0.331 nan 8.150 nan 0.000 0.444 264 V N -1.470 118.573 119.914 0.215 0.000 2.453 264 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 264 V C 2.265 178.470 176.094 0.185 0.000 1.048 264 V CA 1.743 64.179 62.300 0.227 0.000 1.049 264 V CB -1.046 30.907 31.823 0.216 0.000 0.672 264 V HN 0.724 nan 8.190 nan 0.000 0.457 265 Y N 0.136 120.321 120.300 -0.193 0.000 2.102 265 Y HA -0.330 4.219 4.550 -0.001 0.000 0.280 265 Y C 2.128 177.750 175.900 -0.463 0.000 1.178 265 Y CA 2.143 59.943 58.100 -0.499 0.000 1.146 265 Y CB -0.392 37.594 38.460 -0.790 0.000 0.968 265 Y HN 0.308 nan 8.280 nan 0.000 0.504 266 W N -0.171 121.041 121.300 -0.147 0.000 2.381 266 W HA -0.082 4.577 4.660 -0.001 0.000 0.301 266 W C 2.740 178.831 176.519 -0.713 0.000 1.205 266 W CA 1.385 58.267 57.345 -0.772 0.000 1.285 266 W CB -0.851 27.996 29.460 -1.021 0.000 1.133 266 W HN 0.143 nan 8.180 nan 0.000 0.521 267 A N 0.532 123.396 122.820 0.074 0.000 1.883 267 A HA -0.302 4.018 4.320 -0.001 0.000 0.217 267 A C 1.964 179.454 177.584 -0.155 0.000 1.186 267 A CA 2.087 54.283 52.037 0.264 0.000 0.624 267 A CB -1.208 18.005 19.000 0.355 0.000 0.822 267 A HN 0.485 nan 8.150 nan 0.000 0.444 268 N N -0.380 118.198 118.700 -0.203 0.000 2.106 268 N HA -0.203 4.536 4.740 -0.001 0.000 0.188 268 N C 1.956 177.268 175.510 -0.329 0.000 1.029 268 N CA 1.727 54.605 53.050 -0.288 0.000 0.848 268 N CB -0.238 38.131 38.487 -0.196 0.000 1.007 268 N HN 0.589 nan 8.380 nan 0.000 0.423 269 K N 0.019 120.148 120.400 -0.453 0.000 2.020 269 K HA -0.161 4.158 4.320 -0.001 0.000 0.212 269 K C 1.947 178.513 176.600 -0.057 0.000 1.050 269 K CA 1.558 57.627 56.287 -0.363 0.000 0.929 269 K CB -0.215 31.950 32.500 -0.559 0.000 0.714 269 K HN 0.302 nan 8.250 nan 0.000 0.443 270 W N 0.202 121.542 121.300 0.067 0.000 2.436 270 W HA 0.042 4.701 4.660 -0.001 0.000 0.284 270 W C 2.324 178.864 176.519 0.034 0.000 1.225 270 W CA 0.650 58.094 57.345 0.164 0.000 1.271 270 W CB -1.002 28.702 29.460 0.406 0.000 1.114 270 W HN 0.268 nan 8.180 nan 0.000 0.559 271 A N 0.914 123.605 122.820 -0.215 0.000 1.855 271 A HA -0.181 4.138 4.320 -0.001 0.000 0.215 271 A C 2.183 179.607 177.584 -0.267 0.000 1.191 271 A CA 1.625 53.275 52.037 -0.645 0.000 0.613 271 A CB -0.646 17.663 19.000 -1.151 0.000 0.829 271 A HN 0.009 nan 8.150 nan 0.000 0.442 272 K N -0.122 120.155 120.400 -0.207 0.000 2.009 272 K HA -0.200 4.119 4.320 -0.001 0.000 0.210 272 K C 1.817 178.392 176.600 -0.042 0.000 1.049 272 K CA 1.742 57.954 56.287 -0.126 0.000 0.929 272 K CB -0.579 31.841 32.500 -0.133 0.000 0.714 272 K HN 0.664 nan 8.250 nan 0.000 0.440 273 E N 0.888 121.099 120.200 0.017 0.000 2.169 273 E HA -0.241 4.108 4.350 -0.001 0.000 0.202 273 E C 1.875 178.510 176.600 0.057 0.000 1.016 273 E CA 1.459 57.897 56.400 0.062 0.000 0.817 273 E CB -0.008 29.775 29.700 0.139 0.000 0.736 273 E HN 0.371 nan 8.360 nan 0.000 0.462 274 Q N -1.375 118.468 119.800 0.073 0.000 2.403 274 Q HA 0.097 4.436 4.340 -0.001 0.000 0.203 274 Q C 0.874 176.897 176.000 0.039 0.000 0.932 274 Q CA 0.372 56.225 55.803 0.084 0.000 0.945 274 Q CB 0.973 29.823 28.738 0.186 0.000 1.045 274 Q HN 0.376 nan 8.270 nan 0.000 0.511 275 G N 1.839 110.637 108.800 -0.003 0.000 2.176 275 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.252 275 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.252 275 G C 0.281 175.157 174.900 -0.040 0.000 1.024 275 G CA 0.466 45.552 45.100 -0.024 0.000 0.755 275 G HN 0.312 nan 8.290 nan 0.000 0.507 276 K N -0.393 119.955 120.400 -0.086 0.000 2.676 276 K HA 0.339 4.658 4.320 -0.001 0.000 0.205 276 K C 2.091 178.525 176.600 -0.277 0.000 1.084 276 K CA 0.131 56.340 56.287 -0.129 0.000 1.057 276 K CB 0.616 33.088 32.500 -0.046 0.000 0.791 276 K HN 0.253 nan 8.250 nan 0.000 0.484 277 G N 1.453 110.106 108.800 -0.246 0.000 2.462 277 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.220 277 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.220 277 G C 1.517 176.278 174.900 -0.231 0.000 1.121 277 G CA 1.415 46.348 45.100 -0.279 0.000 0.758 277 G HN 0.412 nan 8.290 nan 0.000 0.559 278 S N 0.746 116.349 115.700 -0.163 0.000 2.423 278 S HA 0.205 4.674 4.470 -0.001 0.000 0.231 278 S C 2.440 176.978 174.600 -0.105 0.000 1.014 278 S CA 1.200 59.327 58.200 -0.121 0.000 0.965 278 S CB -0.248 62.905 63.200 -0.079 0.000 0.785 278 S HN 0.551 nan 8.310 nan 0.000 0.495 279 A N 1.138 123.891 122.820 -0.111 0.000 2.168 279 A HA 0.258 4.577 4.320 -0.001 0.000 0.215 279 A C 2.047 179.606 177.584 -0.042 0.000 1.152 279 A CA 1.137 53.154 52.037 -0.034 0.000 0.716 279 A CB -0.531 18.503 19.000 0.056 0.000 0.794 279 A HN 1.257 nan 8.150 nan 0.000 0.465 280 V N -5.562 114.261 119.914 -0.152 0.000 3.398 280 V HA 0.564 4.683 4.120 -0.001 0.000 0.298 280 V C 1.751 177.724 176.094 -0.202 0.000 1.496 280 V CA 0.600 62.814 62.300 -0.143 0.000 1.044 280 V CB -0.565 31.152 31.823 -0.177 0.000 0.880 280 V HN 0.337 nan 8.190 nan 0.000 0.443 281 A N 2.590 125.287 122.820 -0.204 0.000 1.873 281 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 281 A C 2.515 179.953 177.584 -0.244 0.000 1.193 281 A CA 3.086 54.984 52.037 -0.232 0.000 0.629 281 A CB -1.088 17.800 19.000 -0.187 0.000 0.826 281 A HN 1.098 nan 8.150 nan 0.000 0.447 282 S N -0.465 115.121 115.700 -0.189 0.000 2.383 282 S HA -0.109 4.361 4.470 -0.001 0.000 0.227 282 S C 1.720 176.146 174.600 -0.290 0.000 1.026 282 S CA 1.350 59.434 58.200 -0.193 0.000 0.981 282 S CB -0.949 62.181 63.200 -0.117 0.000 0.818 282 S HN 0.272 nan 8.310 nan 0.000 0.472 283 V N 1.880 121.599 119.914 -0.325 0.000 2.407 283 V HA -0.135 3.984 4.120 -0.001 0.000 0.248 283 V C 2.628 178.339 176.094 -0.637 0.000 1.055 283 V CA 1.492 63.441 62.300 -0.585 0.000 1.049 283 V CB -0.881 30.703 31.823 -0.398 0.000 0.662 283 V HN 0.434 nan 8.190 nan 0.000 0.455 284 V N 0.113 119.745 119.914 -0.471 0.000 2.287 284 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 284 V C 2.577 178.331 176.094 -0.567 0.000 1.053 284 V CA 2.502 64.451 62.300 -0.585 0.000 1.027 284 V CB -0.812 30.599 31.823 -0.686 0.000 0.646 284 V HN 0.586 nan 8.190 nan 0.000 0.447 285 S N -0.526 114.913 115.700 -0.435 0.000 2.359 285 S HA -0.255 4.214 4.470 -0.001 0.000 0.224 285 S C 1.976 176.413 174.600 -0.271 0.000 1.035 285 S CA 1.773 59.783 58.200 -0.317 0.000 1.018 285 S CB -0.318 62.739 63.200 -0.238 0.000 0.876 285 S HN 0.594 nan 8.310 nan 0.000 0.448 286 K N 1.440 121.643 120.400 -0.329 0.000 2.057 286 K HA 0.012 4.331 4.320 -0.001 0.000 0.207 286 K C 2.394 178.961 176.600 -0.056 0.000 1.049 286 K CA 1.178 57.325 56.287 -0.234 0.000 0.931 286 K CB -0.346 32.004 32.500 -0.250 0.000 0.714 286 K HN 0.337 nan 8.250 nan 0.000 0.440 287 A N 1.414 124.053 122.820 -0.301 0.000 1.902 287 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 287 A C 2.369 180.024 177.584 0.119 0.000 1.181 287 A CA 1.817 53.842 52.037 -0.020 0.000 0.623 287 A CB -0.766 18.213 19.000 -0.034 0.000 0.818 287 A HN 0.330 nan 8.150 nan 0.000 0.443 288 A N -0.026 122.797 122.820 0.004 0.000 1.883 288 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 288 A C 2.132 179.746 177.584 0.051 0.000 1.186 288 A CA 2.172 54.230 52.037 0.034 0.000 0.624 288 A CB -0.517 18.422 19.000 -0.103 0.000 0.822 288 A HN 0.582 nan 8.150 nan 0.000 0.444 289 K N -0.887 119.506 120.400 -0.013 0.000 2.009 289 K HA -0.182 4.137 4.320 -0.001 0.000 0.210 289 K C 2.177 178.850 176.600 0.122 0.000 1.049 289 K CA 1.901 58.106 56.287 -0.137 0.000 0.929 289 K CB -0.305 31.956 32.500 -0.398 0.000 0.714 289 K HN 0.475 nan 8.250 nan 0.000 0.440 290 M N 0.238 120.047 119.600 0.348 0.000 2.082 290 M HA -0.167 4.313 4.480 -0.001 0.000 0.258 290 M C 1.957 178.451 176.300 0.324 0.000 1.069 290 M CA 2.290 57.861 55.300 0.451 0.000 1.102 290 M CB -0.524 32.361 32.600 0.474 0.000 1.336 290 M HN 0.391 nan 8.290 nan 0.000 0.404 291 G N -0.382 108.550 108.800 0.220 0.000 2.442 291 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.219 291 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.219 291 G C 1.149 176.294 174.900 0.409 0.000 1.141 291 G CA 1.291 46.489 45.100 0.163 0.000 0.763 291 G HN 0.473 nan 8.290 nan 0.000 0.554 292 D N 0.298 120.873 120.400 0.293 0.000 2.097 292 D HA -0.079 4.560 4.640 -0.001 0.000 0.195 292 D C 2.192 178.566 176.300 0.122 0.000 0.989 292 D CA 0.544 54.694 54.000 0.251 0.000 0.827 292 D CB -0.327 40.532 40.800 0.098 0.000 0.966 292 D HN 0.324 nan 8.370 nan 0.000 0.456 293 F N 0.082 120.107 119.950 0.126 0.000 2.333 293 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 293 F C 2.107 177.971 175.800 0.106 0.000 1.083 293 F CA 0.061 58.098 58.000 0.061 0.000 1.395 293 F CB -0.015 38.964 39.000 -0.035 0.000 1.056 293 F HN 0.039 nan 8.300 nan 0.000 0.529 294 L N 0.146 121.592 121.223 0.372 0.000 2.549 294 L HA -0.132 4.207 4.340 -0.001 0.000 0.230 294 L C 2.034 179.019 176.870 0.192 0.000 1.162 294 L CA 1.328 56.371 54.840 0.339 0.000 0.834 294 L CB -1.245 41.127 42.059 0.522 0.000 0.947 294 L HN 0.146 nan 8.230 nan 0.000 0.452 295 R N -0.678 119.880 120.500 0.098 0.000 2.193 295 R HA -0.104 4.235 4.340 -0.001 0.000 0.229 295 R C 1.849 178.227 176.300 0.130 0.000 1.110 295 R CA 0.696 56.750 56.100 -0.076 0.000 0.988 295 R CB -0.205 30.064 30.300 -0.052 0.000 0.871 295 R HN 0.424 nan 8.270 nan 0.000 0.458 296 N N 1.124 119.937 118.700 0.190 0.000 2.205 296 N HA -0.169 4.570 4.740 -0.001 0.000 0.186 296 N C 0.731 176.361 175.510 0.201 0.000 1.015 296 N CA 1.271 54.464 53.050 0.238 0.000 0.862 296 N CB -0.168 38.415 38.487 0.159 0.000 0.986 296 N HN 0.329 nan 8.380 nan 0.000 0.429 297 D N 0.301 120.768 120.400 0.111 0.000 2.363 297 D HA 0.002 4.641 4.640 -0.001 0.000 0.226 297 D C 1.183 177.470 176.300 -0.022 0.000 1.020 297 D CA 0.317 54.355 54.000 0.063 0.000 0.892 297 D CB 0.112 40.967 40.800 0.092 0.000 0.900 297 D HN 0.384 nan 8.370 nan 0.000 0.531 298 M N -0.211 119.252 119.600 -0.229 0.000 2.561 298 M HA 0.104 4.583 4.480 -0.001 0.000 0.238 298 M C -0.245 175.162 176.300 -1.490 0.000 1.131 298 M CA 0.430 55.300 55.300 -0.716 0.000 1.046 298 M CB 0.217 32.290 32.600 -0.878 0.000 1.532 298 M HN -0.178 nan 8.290 nan 0.000 0.497 299 F N -0.284 119.272 119.950 -0.657 0.000 2.522 299 F HA 0.295 4.821 4.527 -0.001 0.000 0.324 299 F C 0.413 175.912 175.800 -0.502 0.000 1.077 299 F CA -1.715 55.891 58.000 -0.658 0.000 0.944 299 F CB 0.820 39.535 39.000 -0.475 0.000 1.175 299 F HN -0.106 nan 8.300 nan 0.000 0.468 300 D N 1.934 122.229 120.400 -0.176 0.000 2.548 300 D HA -0.072 4.567 4.640 -0.001 0.000 0.231 300 D C 1.323 177.456 176.300 -0.277 0.000 1.142 300 D CA 0.524 54.483 54.000 -0.069 0.000 0.866 300 D CB 0.860 41.703 40.800 0.071 0.000 1.190 300 D HN 0.624 nan 8.370 nan 0.000 0.469 301 K N 1.916 122.167 120.400 -0.248 0.000 2.052 301 K HA -0.260 4.060 4.320 -0.001 0.000 0.215 301 K C 0.326 176.585 176.600 -0.569 0.000 1.053 301 K CA 1.551 57.566 56.287 -0.452 0.000 0.934 301 K CB -0.152 32.032 32.500 -0.526 0.000 0.717 301 K HN 0.611 nan 8.250 nan 0.000 0.450 302 Y N -0.564 119.774 120.300 0.064 0.000 2.736 302 Y HA 0.257 4.806 4.550 -0.001 0.000 0.293 302 Y C -0.775 175.236 175.900 0.184 0.000 1.062 302 Y CA -0.793 57.400 58.100 0.154 0.000 1.247 302 Y CB -0.304 38.327 38.460 0.284 0.000 1.200 302 Y HN 0.044 nan 8.280 nan 0.000 0.552 303 F N -1.525 118.527 119.950 0.170 0.000 3.079 303 F HA -0.331 4.196 4.527 -0.001 0.000 0.274 303 F C 0.442 176.273 175.800 0.053 0.000 0.940 303 F CA 0.193 58.244 58.000 0.085 0.000 0.932 303 F CB -1.394 37.612 39.000 0.010 0.000 0.891 303 F HN 0.092 nan 8.300 nan 0.000 0.722 304 M N 0.162 119.844 119.600 0.136 0.000 2.228 304 M HA 0.198 4.677 4.480 -0.001 0.000 0.326 304 M C 0.900 177.235 176.300 0.058 0.000 1.122 304 M CA -0.252 55.044 55.300 -0.007 0.000 1.161 304 M CB 0.649 33.062 32.600 -0.312 0.000 1.437 304 M HN 0.049 nan 8.290 nan 0.000 0.465 305 K N 1.310 121.727 120.400 0.029 0.000 2.436 305 K HA 0.159 4.479 4.320 -0.001 0.000 0.275 305 K C -0.323 176.334 176.600 0.094 0.000 0.999 305 K CA -0.192 56.131 56.287 0.060 0.000 0.980 305 K CB 0.405 32.927 32.500 0.036 0.000 0.919 305 K HN 0.415 nan 8.250 nan 0.000 0.484 306 I N 2.319 122.954 120.570 0.109 0.000 2.517 306 I HA -0.002 4.167 4.170 -0.001 0.000 0.285 306 I C 1.442 177.645 176.117 0.142 0.000 1.106 306 I CA 0.900 62.288 61.300 0.145 0.000 1.402 306 I CB -0.222 37.855 38.000 0.128 0.000 1.399 306 I HN 1.037 nan 8.210 nan 0.000 0.535 307 G N 4.910 113.818 108.800 0.179 0.000 2.176 307 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.232 307 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.232 307 G C 1.057 175.977 174.900 0.033 0.000 0.986 307 G CA 0.505 45.692 45.100 0.145 0.000 0.643 307 G HN 0.775 nan 8.290 nan 0.000 0.522 308 A N -0.175 122.665 122.820 0.033 0.000 1.877 308 A HA 0.253 4.572 4.320 -0.001 0.000 0.216 308 A C 1.636 179.167 177.584 -0.087 0.000 1.186 308 A CA 2.355 54.380 52.037 -0.021 0.000 0.620 308 A CB -0.405 18.585 19.000 -0.017 0.000 0.822 308 A HN 1.457 nan 8.150 nan 0.000 0.443 309 Q N -0.816 118.925 119.800 -0.099 0.000 2.470 309 Q HA -0.162 4.177 4.340 -0.001 0.000 0.294 309 Q C -1.100 174.876 176.000 -0.040 0.000 1.356 309 Q CA 0.855 56.547 55.803 -0.185 0.000 0.805 309 Q CB -1.552 26.918 28.738 -0.447 0.000 1.157 309 Q HN 0.735 nan 8.270 nan 0.000 0.431 310 D N -1.279 119.143 120.400 0.036 0.000 2.926 310 D HA 0.105 4.745 4.640 -0.001 0.000 0.282 310 D C -0.827 175.412 176.300 -0.101 0.000 1.201 310 D CA -0.707 53.285 54.000 -0.013 0.000 0.735 310 D CB 0.827 41.596 40.800 -0.052 0.000 1.257 310 D HN 0.009 nan 8.370 nan 0.000 0.428 311 K N 0.570 120.872 120.400 -0.164 0.000 3.173 311 K HA 0.254 4.573 4.320 -0.001 0.000 0.255 311 K C -0.301 176.152 176.600 -0.245 0.000 1.235 311 K CA -0.004 56.092 56.287 -0.320 0.000 1.250 311 K CB 0.144 32.446 32.500 -0.330 0.000 1.382 311 K HN 0.104 nan 8.250 nan 0.000 0.421 312 T N 3.490 117.933 114.554 -0.185 0.000 2.737 312 T HA 0.154 4.503 4.350 -0.001 0.000 0.296 312 T C -2.307 172.332 174.700 -0.102 0.000 0.922 312 T CA -1.516 60.514 62.100 -0.116 0.000 1.079 312 T CB 0.732 69.556 68.868 -0.073 0.000 0.892 312 T HN 0.090 nan 8.240 nan 0.000 0.514 313 P HA 0.430 nan 4.420 nan 0.000 0.273 313 P C -1.040 176.258 177.300 -0.003 0.000 1.250 313 P CA -0.513 62.569 63.100 -0.030 0.000 0.793 313 P CB 0.552 32.234 31.700 -0.029 0.000 1.011 314 A N 0.091 122.930 122.820 0.031 0.000 2.413 314 A HA 0.616 4.935 4.320 -0.001 0.000 0.307 314 A C 0.801 178.386 177.584 0.003 0.000 1.087 314 A CA -0.151 51.907 52.037 0.035 0.000 0.750 314 A CB 0.669 19.718 19.000 0.082 0.000 1.296 314 A HN 0.538 nan 8.150 nan 0.000 0.423 315 T N -0.737 113.817 114.554 -0.000 0.000 3.044 315 T HA 0.356 4.705 4.350 -0.001 0.000 0.237 315 T C 1.358 176.036 174.700 -0.037 0.000 1.001 315 T CA 0.991 63.075 62.100 -0.027 0.000 1.160 315 T CB -0.447 68.413 68.868 -0.013 0.000 0.889 315 T HN 0.975 nan 8.240 nan 0.000 0.442 316 G N -0.211 108.601 108.800 0.020 0.000 3.387 316 G HA2 0.375 4.334 3.960 -0.001 0.000 0.195 316 G HA3 0.375 4.334 3.960 -0.001 0.000 0.195 316 G C -0.143 174.778 174.900 0.035 0.000 1.853 316 G CA -0.564 44.567 45.100 0.052 0.000 0.879 316 G HN 0.395 nan 8.290 nan 0.000 0.651 317 Y N 0.959 121.325 120.300 0.109 0.000 2.583 317 Y HA 0.201 4.751 4.550 -0.001 0.000 0.294 317 Y C 1.529 177.474 175.900 0.075 0.000 1.170 317 Y CA -0.252 57.935 58.100 0.145 0.000 1.265 317 Y CB 0.645 39.191 38.460 0.143 0.000 1.119 317 Y HN 0.207 nan 8.280 nan 0.000 0.522 318 D N -0.930 119.579 120.400 0.182 0.000 2.310 318 D HA -0.138 4.501 4.640 -0.001 0.000 0.212 318 D C 1.963 178.325 176.300 0.103 0.000 0.965 318 D CA 1.400 55.474 54.000 0.124 0.000 0.879 318 D CB 0.017 40.873 40.800 0.094 0.000 0.921 318 D HN 0.314 nan 8.370 nan 0.000 0.510 319 S N -0.819 114.967 115.700 0.143 0.000 2.535 319 S HA 0.322 4.791 4.470 -0.001 0.000 0.214 319 S C 1.053 175.660 174.600 0.012 0.000 0.980 319 S CA -0.389 57.907 58.200 0.161 0.000 0.907 319 S CB 0.256 63.643 63.200 0.311 0.000 0.790 319 S HN 0.146 nan 8.310 nan 0.000 0.510 320 A N 2.451 125.146 122.820 -0.209 0.000 2.451 320 A HA 0.470 4.789 4.320 -0.001 0.000 0.266 320 A C 0.794 177.901 177.584 -0.796 0.000 1.119 320 A CA -0.306 51.132 52.037 -0.998 0.000 0.786 320 A CB -0.174 17.964 19.000 -1.437 0.000 1.061 320 A HN 0.727 nan 8.150 nan 0.000 0.503 321 H N 0.169 118.911 119.070 -0.547 0.000 2.562 321 H HA 0.183 4.738 4.556 -0.001 0.000 0.267 321 H C -0.196 174.974 175.328 -0.263 0.000 0.959 321 H CA 0.396 56.259 56.048 -0.309 0.000 1.204 321 H CB -0.432 29.204 29.762 -0.210 0.000 1.430 321 H HN 0.736 nan 8.280 nan 0.000 0.545 322 Y N -0.864 119.248 120.300 -0.314 0.000 4.729 322 Y HA -0.214 4.335 4.550 -0.001 0.000 0.239 322 Y C -0.334 175.479 175.900 -0.145 0.000 1.043 322 Y CA 0.203 58.131 58.100 -0.286 0.000 2.045 322 Y CB -2.204 36.090 38.460 -0.277 0.000 1.599 322 Y HN 0.244 nan 8.280 nan 0.000 0.655 323 L N -0.270 121.038 121.223 0.142 0.000 2.304 323 L HA 0.575 4.914 4.340 -0.001 0.000 0.268 323 L C 0.553 177.447 176.870 0.039 0.000 1.010 323 L CA -1.422 53.400 54.840 -0.029 0.000 0.813 323 L CB 0.636 42.466 42.059 -0.382 0.000 1.315 323 L HN -0.170 nan 8.230 nan 0.000 0.445 324 M N 1.821 121.438 119.600 0.029 0.000 2.201 324 M HA 0.301 4.781 4.480 -0.001 0.000 0.345 324 M C 0.214 176.532 176.300 0.030 0.000 1.352 324 M CA -0.323 55.025 55.300 0.080 0.000 1.218 324 M CB 0.149 32.828 32.600 0.133 0.000 1.512 324 M HN 0.646 nan 8.290 nan 0.000 0.447 325 A N 3.753 126.579 122.820 0.010 0.000 2.280 325 A HA 0.148 4.467 4.320 -0.001 0.000 0.268 325 A C 1.147 178.715 177.584 -0.026 0.000 1.111 325 A CA -0.429 51.548 52.037 -0.100 0.000 0.814 325 A CB 0.191 19.110 19.000 -0.134 0.000 1.093 325 A HN 0.993 nan 8.150 nan 0.000 0.498 326 W N -0.501 120.610 121.300 -0.314 0.000 2.342 326 W HA -0.108 4.551 4.660 -0.001 0.000 0.297 326 W C -0.182 176.362 176.519 0.041 0.000 1.213 326 W CA 2.583 59.765 57.345 -0.272 0.000 1.251 326 W CB -0.125 29.129 29.460 -0.343 0.000 1.136 326 W HN 0.695 nan 8.180 nan 0.000 0.526 327 Y N -3.453 116.928 120.300 0.135 0.000 2.689 327 Y HA 0.516 5.065 4.550 -0.001 0.000 0.333 327 Y C -0.989 174.988 175.900 0.128 0.000 1.208 327 Y CA -1.515 56.649 58.100 0.107 0.000 1.055 327 Y CB 0.480 39.019 38.460 0.132 0.000 1.304 327 Y HN -0.434 nan 8.280 nan 0.000 0.455 328 T N 1.827 116.626 114.554 0.408 0.000 2.824 328 T HA 0.843 5.192 4.350 -0.001 0.000 0.282 328 T C -0.850 174.195 174.700 0.575 0.000 0.993 328 T CA -0.340 62.000 62.100 0.400 0.000 0.967 328 T CB 1.181 70.210 68.868 0.269 0.000 0.960 328 T HN 0.975 nan 8.240 nan 0.000 0.441 329 A N 3.227 126.390 122.820 0.573 0.000 2.365 329 A HA 0.920 5.240 4.320 -0.001 0.000 0.318 329 A C -1.392 176.386 177.584 0.322 0.000 1.091 329 A CA -0.959 51.361 52.037 0.473 0.000 0.763 329 A CB 1.086 20.332 19.000 0.411 0.000 1.248 329 A HN 0.979 nan 8.150 nan 0.000 0.442 330 W N 0.901 121.964 121.300 -0.395 0.000 3.074 330 W HA 0.783 5.442 4.660 -0.001 0.000 0.332 330 W C -0.226 175.466 176.519 -1.379 0.000 1.253 330 W CA -0.323 56.419 57.345 -1.006 0.000 1.180 330 W CB 0.816 30.005 29.460 -0.450 0.000 1.445 330 W HN 1.446 nan 8.180 nan 0.000 0.573 331 G N -0.100 107.421 108.800 -2.131 0.000 2.430 331 G HA2 0.627 4.586 3.960 -0.001 0.000 0.300 331 G HA3 0.627 4.586 3.960 -0.001 0.000 0.300 331 G C -1.167 172.409 174.900 -2.206 0.000 1.330 331 G CA 0.005 43.650 45.100 -2.424 0.000 0.813 331 G HN 1.544 nan 8.290 nan 0.000 0.487 332 G N -1.840 105.384 108.800 -2.626 0.000 2.815 332 G HA2 0.776 4.735 3.960 -0.001 0.000 0.305 332 G HA3 0.776 4.735 3.960 -0.001 0.000 0.305 332 G C -0.239 173.639 174.900 -1.704 0.000 1.277 332 G CA 0.341 44.482 45.100 -1.597 0.000 0.795 332 G HN 1.504 nan 8.290 nan 0.000 0.528 333 G N -0.971 106.862 108.800 -1.612 0.000 2.400 333 G HA2 0.493 4.453 3.960 -0.001 0.000 0.301 333 G HA3 0.493 4.453 3.960 -0.001 0.000 0.301 333 G C 0.682 175.536 174.900 -0.076 0.000 1.154 333 G CA -0.557 44.026 45.100 -0.861 0.000 0.852 333 G HN 0.439 nan 8.290 nan 0.000 0.511 334 I N 1.714 122.339 120.570 0.092 0.000 2.339 334 I HA -0.009 4.160 4.170 -0.001 0.000 0.245 334 I C 2.667 178.848 176.117 0.106 0.000 1.096 334 I CA 1.204 62.584 61.300 0.133 0.000 1.408 334 I CB -0.428 37.628 38.000 0.094 0.000 1.092 334 I HN 0.618 nan 8.210 nan 0.000 0.423 335 G N 0.954 109.834 108.800 0.134 0.000 2.798 335 G HA2 0.034 3.994 3.960 -0.001 0.000 0.202 335 G HA3 0.034 3.994 3.960 -0.001 0.000 0.202 335 G C 0.703 175.705 174.900 0.169 0.000 1.432 335 G CA 0.564 45.752 45.100 0.146 0.000 0.861 335 G HN 0.446 nan 8.290 nan 0.000 0.598 336 A N -0.259 122.710 122.820 0.248 0.000 2.351 336 A HA 0.524 4.843 4.320 -0.001 0.000 0.257 336 A C 0.759 178.534 177.584 0.318 0.000 1.087 336 A CA 0.506 52.707 52.037 0.274 0.000 0.798 336 A CB 0.333 19.510 19.000 0.295 0.000 1.033 336 A HN 1.227 nan 8.150 nan 0.000 0.488 337 S N 3.061 118.916 115.700 0.258 0.000 2.416 337 S HA 0.555 5.024 4.470 -0.001 0.000 0.287 337 S C -0.396 174.404 174.600 0.333 0.000 1.139 337 S CA -0.555 57.767 58.200 0.204 0.000 1.058 337 S CB -0.286 63.010 63.200 0.159 0.000 0.967 337 S HN 0.950 nan 8.310 nan 0.000 0.495 338 W N 0.941 122.343 121.300 0.170 0.000 3.062 338 W HA 0.830 5.490 4.660 -0.001 0.000 0.336 338 W C -1.155 175.486 176.519 0.203 0.000 1.224 338 W CA -1.414 56.032 57.345 0.169 0.000 1.159 338 W CB 1.182 30.733 29.460 0.152 0.000 1.454 338 W HN 0.848 nan 8.180 nan 0.000 0.569 339 A N 1.771 124.832 122.820 0.401 0.000 2.606 339 A HA 0.896 5.215 4.320 -0.001 0.000 0.293 339 A C -1.633 176.273 177.584 0.538 0.000 1.082 339 A CA -0.762 51.430 52.037 0.259 0.000 0.685 339 A CB 1.728 20.878 19.000 0.249 0.000 1.284 339 A HN 1.079 nan 8.150 nan 0.000 0.408 340 W N 0.554 122.044 121.300 0.316 0.000 3.042 340 W HA 0.834 5.494 4.660 -0.001 0.000 0.342 340 W C -1.604 175.128 176.519 0.356 0.000 1.240 340 W CA -0.735 56.861 57.345 0.418 0.000 1.166 340 W CB 1.305 30.952 29.460 0.312 0.000 1.469 340 W HN 0.933 nan 8.180 nan 0.000 0.579 341 K N 1.894 122.715 120.400 0.702 0.000 2.542 341 K HA 0.551 4.871 4.320 -0.001 0.000 0.259 341 K C -1.434 175.542 176.600 0.627 0.000 0.932 341 K CA -0.551 55.992 56.287 0.427 0.000 0.820 341 K CB 2.708 35.261 32.500 0.090 0.000 1.345 341 K HN 0.614 nan 8.250 nan 0.000 0.432 342 I N -0.198 120.671 120.570 0.498 0.000 2.785 342 I HA 0.683 4.852 4.170 -0.001 0.000 0.302 342 I C 0.277 176.463 176.117 0.115 0.000 1.069 342 I CA -0.896 60.561 61.300 0.261 0.000 1.045 342 I CB 2.099 40.228 38.000 0.215 0.000 1.236 342 I HN 0.641 nan 8.210 nan 0.000 0.429 343 G N 1.714 110.411 108.800 -0.170 0.000 2.829 343 G HA2 0.509 4.468 3.960 -0.001 0.000 0.173 343 G HA3 0.509 4.468 3.960 -0.001 0.000 0.173 343 G C -1.070 173.652 174.900 -0.297 0.000 1.476 343 G CA -0.425 44.568 45.100 -0.178 0.000 1.072 343 G HN 0.839 nan 8.290 nan 0.000 0.577 344 C N -1.859 117.226 119.300 -0.358 0.000 3.090 344 C HA 0.618 5.077 4.460 -0.001 0.000 0.347 344 C C 1.259 176.027 174.990 -0.369 0.000 1.147 344 C CA -0.187 58.485 59.018 -0.578 0.000 1.305 344 C CB 1.066 28.214 27.740 -0.987 0.000 1.692 344 C HN 0.554 nan 8.230 nan 0.000 0.506 345 S N 1.740 117.128 115.700 -0.520 0.000 2.528 345 S HA 0.138 4.608 4.470 -0.001 0.000 0.219 345 S C 0.266 174.603 174.600 -0.439 0.000 0.985 345 S CA 0.321 58.277 58.200 -0.408 0.000 0.914 345 S CB -0.287 62.644 63.200 -0.448 0.000 0.776 345 S HN 0.793 nan 8.310 nan 0.000 0.526 346 H N 1.283 120.187 119.070 -0.278 0.000 2.458 346 H HA 0.692 5.247 4.556 -0.001 0.000 0.330 346 H C -0.285 174.878 175.328 -0.276 0.000 1.111 346 H CA -0.910 54.970 56.048 -0.280 0.000 1.245 346 H CB 1.160 30.727 29.762 -0.325 0.000 1.456 346 H HN 0.143 nan 8.280 nan 0.000 0.488 347 A N 3.485 126.239 122.820 -0.110 0.000 2.343 347 A HA 0.322 4.641 4.320 -0.001 0.000 0.308 347 A C -1.021 176.602 177.584 0.064 0.000 1.092 347 A CA -0.606 51.361 52.037 -0.117 0.000 0.751 347 A CB 1.192 19.974 19.000 -0.364 0.000 1.203 347 A HN 0.762 nan 8.150 nan 0.000 0.452 348 H N 3.117 122.168 119.070 -0.031 0.000 2.466 348 H HA 0.350 4.905 4.556 -0.001 0.000 0.338 348 H C 0.704 176.014 175.328 -0.030 0.000 1.091 348 H CA -0.664 55.329 56.048 -0.091 0.000 1.207 348 H CB 1.119 30.729 29.762 -0.253 0.000 1.466 348 H HN 0.722 nan 8.280 nan 0.000 0.493 349 F N 3.173 123.088 119.950 -0.060 0.000 2.202 349 F HA 0.013 4.540 4.527 -0.001 0.000 0.301 349 F C 1.799 177.611 175.800 0.020 0.000 1.082 349 F CA 1.295 59.177 58.000 -0.196 0.000 1.313 349 F CB -0.640 38.020 39.000 -0.567 0.000 1.024 349 F HN 0.529 nan 8.300 nan 0.000 0.495 350 G N -1.426 106.779 108.800 -0.992 0.000 2.586 350 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.215 350 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.215 350 G C 0.841 175.669 174.900 -0.121 0.000 1.128 350 G CA 0.636 45.231 45.100 -0.841 0.000 0.774 350 G HN 0.525 nan 8.290 nan 0.000 0.543 351 Y N -0.261 119.865 120.300 -0.289 0.000 2.500 351 Y HA 0.293 4.842 4.550 -0.001 0.000 0.246 351 Y C 0.967 176.832 175.900 -0.058 0.000 1.146 351 Y CA -0.807 57.178 58.100 -0.193 0.000 1.230 351 Y CB 0.402 38.706 38.460 -0.261 0.000 1.214 351 Y HN 0.074 nan 8.280 nan 0.000 0.526 352 Q N 0.762 120.645 119.800 0.139 0.000 2.354 352 Q HA 0.137 4.477 4.340 -0.001 0.000 0.244 352 Q C -0.172 175.954 176.000 0.211 0.000 0.969 352 Q CA 0.149 56.064 55.803 0.187 0.000 0.885 352 Q CB 0.734 29.600 28.738 0.212 0.000 1.241 352 Q HN 0.117 nan 8.270 nan 0.000 0.461 353 N N 1.844 120.664 118.700 0.201 0.000 2.725 353 N HA 0.198 4.938 4.740 -0.001 0.000 0.248 353 N C -2.329 173.274 175.510 0.154 0.000 1.402 353 N CA -1.576 51.566 53.050 0.155 0.000 0.766 353 N CB 1.011 39.530 38.487 0.053 0.000 1.223 353 N HN 0.071 nan 8.380 nan 0.000 0.515 354 P HA -0.074 nan 4.420 nan 0.000 0.222 354 P C 1.341 178.646 177.300 0.009 0.000 1.147 354 P CA 0.576 63.729 63.100 0.088 0.000 0.790 354 P CB 0.152 31.813 31.700 -0.065 0.000 0.780 355 F N 1.533 121.448 119.950 -0.057 0.000 2.031 355 F HA -0.182 4.344 4.527 -0.001 0.000 0.295 355 F C 2.549 178.281 175.800 -0.113 0.000 1.133 355 F CA 1.696 59.674 58.000 -0.037 0.000 1.188 355 F CB -0.868 38.116 39.000 -0.028 0.000 0.974 355 F HN -0.167 nan 8.300 nan 0.000 0.473 356 Q N 0.898 120.600 119.800 -0.163 0.000 2.135 356 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 356 Q C 2.325 177.971 176.000 -0.591 0.000 0.981 356 Q CA 1.871 57.427 55.803 -0.412 0.000 0.856 356 Q CB -1.143 27.438 28.738 -0.261 0.000 0.902 356 Q HN 0.572 nan 8.270 nan 0.000 0.425 357 G N 0.242 108.809 108.800 -0.389 0.000 2.476 357 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.218 357 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.218 357 G C 1.136 175.837 174.900 -0.330 0.000 1.164 357 G CA 0.946 45.861 45.100 -0.309 0.000 0.768 357 G HN 0.648 nan 8.290 nan 0.000 0.560 358 W N 0.886 121.778 121.300 -0.679 0.000 2.436 358 W HA 0.029 4.688 4.660 -0.001 0.000 0.284 358 W C 2.280 178.329 176.519 -0.782 0.000 1.225 358 W CA 1.302 58.036 57.345 -1.017 0.000 1.271 358 W CB -0.139 28.736 29.460 -0.975 0.000 1.114 358 W HN 0.031 nan 8.180 nan 0.000 0.559 359 V N 1.418 120.762 119.914 -0.951 0.000 2.295 359 V HA -0.344 3.775 4.120 -0.001 0.000 0.246 359 V C 2.645 178.255 176.094 -0.807 0.000 1.049 359 V CA 2.584 64.199 62.300 -1.142 0.000 1.024 359 V CB -1.367 29.757 31.823 -1.165 0.000 0.648 359 V HN 0.418 nan 8.190 nan 0.000 0.447 360 S N 0.728 115.996 115.700 -0.719 0.000 2.414 360 S HA 0.005 4.475 4.470 -0.001 0.000 0.227 360 S C 2.020 176.421 174.600 -0.331 0.000 1.022 360 S CA 1.015 58.896 58.200 -0.532 0.000 0.958 360 S CB -0.311 62.379 63.200 -0.849 0.000 0.797 360 S HN 0.535 nan 8.310 nan 0.000 0.493 361 A N 1.731 124.370 122.820 -0.302 0.000 2.014 361 A HA 0.081 4.400 4.320 -0.001 0.000 0.218 361 A C 2.389 179.853 177.584 -0.200 0.000 1.163 361 A CA 1.768 53.764 52.037 -0.069 0.000 0.652 361 A CB -0.821 18.300 19.000 0.201 0.000 0.808 361 A HN 0.770 nan 8.150 nan 0.000 0.449 362 T N -5.024 109.235 114.554 -0.492 0.000 2.989 362 T HA 0.147 4.496 4.350 -0.001 0.000 0.250 362 T C 0.456 174.890 174.700 -0.443 0.000 0.981 362 T CA -0.264 61.543 62.100 -0.489 0.000 0.980 362 T CB -0.036 68.389 68.868 -0.738 0.000 1.133 362 T HN 0.157 nan 8.240 nan 0.000 0.489 363 Q N 2.219 121.706 119.800 -0.520 0.000 2.295 363 Q HA 0.405 4.745 4.340 -0.001 0.000 0.259 363 Q C 1.170 177.090 176.000 -0.132 0.000 0.976 363 Q CA -0.024 55.593 55.803 -0.311 0.000 0.923 363 Q CB 1.655 30.230 28.738 -0.272 0.000 1.185 363 Q HN 0.353 nan 8.270 nan 0.000 0.410 364 S N 3.343 118.973 115.700 -0.116 0.000 2.380 364 S HA -0.232 4.237 4.470 -0.001 0.000 0.229 364 S C 0.901 175.429 174.600 -0.119 0.000 1.050 364 S CA 2.104 60.242 58.200 -0.103 0.000 1.100 364 S CB 0.110 63.252 63.200 -0.097 0.000 0.984 364 S HN 0.607 nan 8.310 nan 0.000 0.434 365 D N -0.204 120.109 120.400 -0.145 0.000 2.265 365 D HA -0.053 4.586 4.640 -0.001 0.000 0.208 365 D C 0.935 176.945 176.300 -0.484 0.000 0.977 365 D CA 0.915 54.723 54.000 -0.319 0.000 0.871 365 D CB -0.284 40.260 40.800 -0.427 0.000 0.925 365 D HN 0.534 nan 8.370 nan 0.000 0.485 366 F N 0.422 120.246 119.950 -0.209 0.000 2.639 366 F HA 0.344 4.871 4.527 -0.001 0.000 0.302 366 F C 0.957 176.646 175.800 -0.185 0.000 1.097 366 F CA -0.620 57.253 58.000 -0.212 0.000 1.294 366 F CB -0.017 38.822 39.000 -0.268 0.000 1.027 366 F HN -0.251 nan 8.300 nan 0.000 0.550 367 A N 1.809 124.598 122.820 -0.051 0.000 2.545 367 A HA 0.250 4.569 4.320 -0.001 0.000 0.253 367 A C -2.136 175.439 177.584 -0.014 0.000 1.074 367 A CA -1.013 50.998 52.037 -0.045 0.000 0.760 367 A CB -0.652 18.309 19.000 -0.065 0.000 1.005 367 A HN 0.007 nan 8.150 nan 0.000 0.506 368 P HA 0.117 nan 4.420 nan 0.000 0.265 368 P C 0.455 177.778 177.300 0.038 0.000 1.193 368 P CA -0.035 63.119 63.100 0.090 0.000 0.765 368 P CB 0.599 32.386 31.700 0.145 0.000 0.823 369 K N 1.384 121.815 120.400 0.051 0.000 2.148 369 K HA -0.046 4.273 4.320 -0.001 0.000 0.204 369 K C 0.905 177.385 176.600 -0.200 0.000 1.050 369 K CA 0.740 56.963 56.287 -0.106 0.000 0.942 369 K CB -0.358 32.020 32.500 -0.203 0.000 0.724 369 K HN 0.646 nan 8.250 nan 0.000 0.446 370 S N -0.588 115.004 115.700 -0.181 0.000 2.587 370 S HA -0.041 4.429 4.470 -0.001 0.000 0.260 370 S C 1.264 175.814 174.600 -0.084 0.000 1.353 370 S CA 0.037 58.134 58.200 -0.172 0.000 0.995 370 S CB 1.369 64.510 63.200 -0.100 0.000 0.912 370 S HN 0.263 nan 8.310 nan 0.000 0.568 371 S N 0.720 116.377 115.700 -0.071 0.000 2.478 371 S HA 0.070 4.539 4.470 -0.001 0.000 0.222 371 S C 0.884 175.476 174.600 -0.014 0.000 1.008 371 S CA 0.156 58.329 58.200 -0.044 0.000 0.928 371 S CB -0.517 62.655 63.200 -0.046 0.000 0.781 371 S HN 0.712 nan 8.310 nan 0.000 0.518 372 N N 0.922 119.626 118.700 0.007 0.000 2.184 372 N HA 0.279 5.018 4.740 -0.001 0.000 0.206 372 N C 1.566 177.106 175.510 0.049 0.000 1.151 372 N CA 0.674 53.741 53.050 0.028 0.000 0.878 372 N CB -0.081 38.445 38.487 0.065 0.000 1.014 372 N HN 0.496 nan 8.380 nan 0.000 0.512 373 G N 1.676 110.518 108.800 0.070 0.000 2.459 373 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.217 373 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.217 373 G C 1.493 176.522 174.900 0.215 0.000 1.183 373 G CA 0.981 46.169 45.100 0.147 0.000 0.776 373 G HN 0.310 nan 8.290 nan 0.000 0.552 374 K N 0.356 120.848 120.400 0.153 0.000 2.020 374 K HA -0.180 4.139 4.320 -0.001 0.000 0.212 374 K C 2.534 179.202 176.600 0.113 0.000 1.050 374 K CA 1.594 57.962 56.287 0.136 0.000 0.929 374 K CB -0.275 32.256 32.500 0.052 0.000 0.714 374 K HN 0.264 nan 8.250 nan 0.000 0.443 375 R N 0.437 120.962 120.500 0.042 0.000 2.096 375 R HA -0.183 4.156 4.340 -0.001 0.000 0.240 375 R C 1.566 177.835 176.300 -0.051 0.000 1.139 375 R CA 2.322 58.411 56.100 -0.018 0.000 0.952 375 R CB -0.319 29.944 30.300 -0.061 0.000 0.854 375 R HN 0.311 nan 8.270 nan 0.000 0.436 376 D N -0.608 119.763 120.400 -0.049 0.000 2.117 376 D HA -0.177 4.463 4.640 -0.001 0.000 0.197 376 D C 1.703 177.922 176.300 -0.134 0.000 0.987 376 D CA 1.194 55.128 54.000 -0.111 0.000 0.829 376 D CB -0.522 40.234 40.800 -0.074 0.000 0.961 376 D HN 0.362 nan 8.370 nan 0.000 0.460 377 W N 1.254 122.575 121.300 0.035 0.000 2.338 377 W HA -0.189 4.470 4.660 -0.001 0.000 0.304 377 W C 2.609 179.179 176.519 0.084 0.000 1.212 377 W CA 1.350 58.731 57.345 0.060 0.000 1.264 377 W CB -0.573 28.916 29.460 0.048 0.000 1.142 377 W HN -0.076 nan 8.180 nan 0.000 0.512 378 T N -0.543 114.177 114.554 0.276 0.000 2.720 378 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 378 T C 1.545 176.158 174.700 -0.145 0.000 1.037 378 T CA 2.107 64.295 62.100 0.148 0.000 1.144 378 T CB -0.775 68.137 68.868 0.074 0.000 0.864 378 T HN 0.108 nan 8.240 nan 0.000 0.444 379 T N 1.150 115.569 114.554 -0.225 0.000 2.746 379 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 379 T C 2.335 176.787 174.700 -0.414 0.000 1.039 379 T CA 1.468 63.293 62.100 -0.458 0.000 1.142 379 T CB -0.392 67.992 68.868 -0.807 0.000 0.866 379 T HN 0.372 nan 8.240 nan 0.000 0.444 380 S N 0.539 116.114 115.700 -0.209 0.000 2.345 380 S HA -0.115 4.354 4.470 -0.001 0.000 0.220 380 S C 2.057 176.718 174.600 0.102 0.000 1.031 380 S CA 1.485 59.666 58.200 -0.033 0.000 0.996 380 S CB -0.568 62.602 63.200 -0.049 0.000 0.882 380 S HN 0.734 nan 8.310 nan 0.000 0.445 381 Y N 1.368 121.782 120.300 0.190 0.000 2.224 381 Y HA -0.006 4.543 4.550 -0.001 0.000 0.289 381 Y C 1.951 177.870 175.900 0.032 0.000 1.146 381 Y CA 1.656 59.836 58.100 0.133 0.000 1.182 381 Y CB -0.521 38.017 38.460 0.130 0.000 0.983 381 Y HN 0.160 nan 8.280 nan 0.000 0.524 382 K N 0.119 120.138 120.400 -0.635 0.000 2.057 382 K HA -0.166 4.153 4.320 -0.001 0.000 0.206 382 K C 2.245 178.779 176.600 -0.110 0.000 1.050 382 K CA 1.477 57.511 56.287 -0.422 0.000 0.935 382 K CB -0.227 31.994 32.500 -0.466 0.000 0.715 382 K HN 0.166 nan 8.250 nan 0.000 0.439 383 R N 1.940 122.370 120.500 -0.115 0.000 2.081 383 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 383 R C 1.948 178.324 176.300 0.127 0.000 1.131 383 R CA 1.651 57.734 56.100 -0.029 0.000 0.960 383 R CB -0.334 29.881 30.300 -0.142 0.000 0.856 383 R HN 0.248 nan 8.270 nan 0.000 0.436 384 Q N -0.191 119.679 119.800 0.117 0.000 2.181 384 Q HA -0.129 4.210 4.340 -0.001 0.000 0.205 384 Q C 2.086 178.299 176.000 0.355 0.000 0.980 384 Q CA 1.644 57.578 55.803 0.219 0.000 0.862 384 Q CB -0.141 28.753 28.738 0.260 0.000 0.905 384 Q HN 0.360 nan 8.270 nan 0.000 0.429 385 L N 0.304 121.659 121.223 0.221 0.000 2.156 385 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 385 L C 2.019 179.016 176.870 0.213 0.000 1.095 385 L CA 0.946 55.894 54.840 0.180 0.000 0.770 385 L CB -0.157 41.912 42.059 0.017 0.000 0.914 385 L HN 0.212 nan 8.230 nan 0.000 0.439 386 E N -0.595 119.744 120.200 0.232 0.000 2.150 386 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 386 E C 1.939 178.513 176.600 -0.044 0.000 0.985 386 E CA 0.805 57.326 56.400 0.202 0.000 0.814 386 E CB -0.017 29.962 29.700 0.466 0.000 0.752 386 E HN 0.298 nan 8.360 nan 0.000 0.466 387 F N 0.551 120.394 119.950 -0.178 0.000 2.075 387 F HA -0.224 4.302 4.527 -0.001 0.000 0.297 387 F C 1.688 177.280 175.800 -0.348 0.000 1.113 387 F CA 1.404 59.051 58.000 -0.588 0.000 1.218 387 F CB -0.597 38.090 39.000 -0.523 0.000 0.984 387 F HN 0.021 nan 8.300 nan 0.000 0.472 388 Y N 0.554 120.735 120.300 -0.199 0.000 2.151 388 Y HA -0.309 4.240 4.550 -0.001 0.000 0.284 388 Y C 2.632 178.316 175.900 -0.361 0.000 1.166 388 Y CA 2.085 60.008 58.100 -0.295 0.000 1.163 388 Y CB -0.851 37.507 38.460 -0.170 0.000 0.974 388 Y HN 0.191 nan 8.280 nan 0.000 0.511 389 Q N -1.803 117.925 119.800 -0.121 0.000 2.119 389 Q HA -0.232 4.108 4.340 -0.001 0.000 0.201 389 Q C 1.984 177.864 176.000 -0.200 0.000 0.972 389 Q CA 1.503 57.174 55.803 -0.220 0.000 0.847 389 Q CB -0.562 28.156 28.738 -0.034 0.000 0.903 389 Q HN 0.655 nan 8.270 nan 0.000 0.433 390 W N 1.217 122.172 121.300 -0.576 0.000 2.363 390 W HA -0.097 4.563 4.660 -0.001 0.000 0.296 390 W C 1.166 177.521 176.519 -0.275 0.000 1.212 390 W CA 1.069 58.182 57.345 -0.387 0.000 1.260 390 W CB -0.075 29.037 29.460 -0.579 0.000 1.131 390 W HN 0.017 nan 8.180 nan 0.000 0.530 391 L N 0.650 121.515 121.223 -0.597 0.000 2.554 391 L HA 0.038 4.377 4.340 -0.001 0.000 0.226 391 L C 1.302 177.827 176.870 -0.575 0.000 1.137 391 L CA 0.181 54.523 54.840 -0.830 0.000 0.863 391 L CB -0.700 40.790 42.059 -0.949 0.000 0.985 391 L HN -0.118 nan 8.230 nan 0.000 0.451 392 Q N 1.607 121.188 119.800 -0.365 0.000 2.262 392 Q HA 0.069 4.408 4.340 -0.001 0.000 0.272 392 Q C 0.525 176.473 176.000 -0.087 0.000 1.076 392 Q CA -0.289 55.370 55.803 -0.241 0.000 0.905 392 Q CB 0.742 29.280 28.738 -0.333 0.000 1.182 392 Q HN 0.365 nan 8.270 nan 0.000 0.390 393 S N 2.934 118.554 115.700 -0.132 0.000 2.587 393 S HA 0.140 4.609 4.470 -0.001 0.000 0.260 393 S C 1.203 175.741 174.600 -0.104 0.000 1.353 393 S CA -0.122 58.005 58.200 -0.122 0.000 0.995 393 S CB 1.066 64.201 63.200 -0.108 0.000 0.912 393 S HN 0.761 nan 8.310 nan 0.000 0.568 394 A N 0.804 123.515 122.820 -0.182 0.000 1.986 394 A HA -0.106 4.214 4.320 -0.001 0.000 0.220 394 A C 2.007 179.552 177.584 -0.064 0.000 1.171 394 A CA 1.936 53.894 52.037 -0.133 0.000 0.640 394 A CB -1.054 17.803 19.000 -0.238 0.000 0.811 394 A HN 0.896 nan 8.150 nan 0.000 0.451 395 E N -2.049 118.080 120.200 -0.120 0.000 2.112 395 E HA 0.269 4.618 4.350 -0.001 0.000 0.190 395 E C 1.549 178.031 176.600 -0.196 0.000 0.979 395 E CA 1.238 57.576 56.400 -0.104 0.000 0.814 395 E CB -0.081 29.540 29.700 -0.131 0.000 0.762 395 E HN 0.715 nan 8.360 nan 0.000 0.460 396 G N -0.761 107.814 108.800 -0.376 0.000 2.624 396 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.190 396 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.190 396 G C 0.615 175.249 174.900 -0.442 0.000 1.008 396 G CA -0.342 44.598 45.100 -0.267 0.000 0.731 396 G HN 0.516 nan 8.290 nan 0.000 0.478 397 G N 0.633 108.677 108.800 -1.260 0.000 2.527 397 G HA2 0.497 4.456 3.960 -0.001 0.000 0.248 397 G HA3 0.497 4.456 3.960 -0.001 0.000 0.248 397 G C 0.153 174.900 174.900 -0.255 0.000 1.231 397 G CA -0.255 44.171 45.100 -1.123 0.000 0.838 397 G HN 0.370 nan 8.290 nan 0.000 0.570 398 I N 1.587 122.043 120.570 -0.189 0.000 2.325 398 I HA 0.335 4.504 4.170 -0.001 0.000 0.291 398 I C 1.082 176.633 176.117 -0.943 0.000 1.019 398 I CA -0.994 59.901 61.300 -0.675 0.000 1.302 398 I CB 0.316 37.563 38.000 -1.255 0.000 1.401 398 I HN 0.528 nan 8.210 nan 0.000 0.485 399 A N 4.955 127.160 122.820 -1.025 0.000 2.346 399 A HA 0.516 4.835 4.320 -0.001 0.000 0.255 399 A C 1.464 178.418 177.584 -1.049 0.000 1.113 399 A CA 0.342 51.483 52.037 -1.492 0.000 0.798 399 A CB -0.157 18.241 19.000 -1.002 0.000 1.073 399 A HN 0.888 nan 8.150 nan 0.000 0.502 400 G N -1.027 107.186 108.800 -0.978 0.000 2.414 400 G HA2 0.383 4.343 3.960 -0.001 0.000 0.215 400 G HA3 0.383 4.343 3.960 -0.001 0.000 0.215 400 G C 0.880 175.374 174.900 -0.677 0.000 1.188 400 G CA 1.397 46.015 45.100 -0.803 0.000 0.783 400 G HN 2.057 nan 8.290 nan 0.000 0.537 401 G N -1.726 106.739 108.800 -0.560 0.000 2.441 401 G HA2 0.592 4.551 3.960 -0.001 0.000 0.222 401 G HA3 0.592 4.551 3.960 -0.001 0.000 0.222 401 G C -1.327 173.569 174.900 -0.005 0.000 1.254 401 G CA 0.230 45.176 45.100 -0.256 0.000 0.959 401 G HN 1.480 nan 8.290 nan 0.000 0.474 402 A N -1.797 121.137 122.820 0.191 0.000 2.610 402 A HA 0.954 5.274 4.320 -0.001 0.000 0.291 402 A C -0.676 176.962 177.584 0.091 0.000 1.086 402 A CA 0.589 52.760 52.037 0.223 0.000 0.677 402 A CB 1.469 20.782 19.000 0.522 0.000 1.278 402 A HN 1.957 nan 8.150 nan 0.000 0.414 403 T N -0.700 113.922 114.554 0.113 0.000 2.909 403 T HA 0.467 4.816 4.350 -0.001 0.000 0.299 403 T C -0.045 174.770 174.700 0.192 0.000 1.073 403 T CA -0.290 61.896 62.100 0.143 0.000 0.999 403 T CB 1.514 70.513 68.868 0.219 0.000 1.098 403 T HN 0.683 nan 8.240 nan 0.000 0.477 404 N N 1.628 120.425 118.700 0.161 0.000 2.270 404 N HA 0.220 4.959 4.740 -0.001 0.000 0.198 404 N C -0.491 175.205 175.510 0.310 0.000 1.117 404 N CA -0.023 53.196 53.050 0.282 0.000 0.845 404 N CB 0.450 39.084 38.487 0.246 0.000 0.980 404 N HN 0.346 nan 8.380 nan 0.000 0.486 405 S N 0.212 116.007 115.700 0.159 0.000 2.381 405 S HA 0.120 4.589 4.470 -0.001 0.000 0.193 405 S C -1.467 173.218 174.600 0.142 0.000 1.287 405 S CA -0.716 57.432 58.200 -0.085 0.000 1.199 405 S CB -0.356 62.367 63.200 -0.794 0.000 1.214 405 S HN 0.288 nan 8.310 nan 0.000 0.444 406 W N 4.638 126.031 121.300 0.156 0.000 2.347 406 W HA 0.037 4.696 4.660 -0.001 0.000 0.333 406 W C 0.101 176.646 176.519 0.044 0.000 1.383 406 W CA 0.694 58.118 57.345 0.133 0.000 1.283 406 W CB 0.074 29.689 29.460 0.258 0.000 1.253 406 W HN 0.852 nan 8.180 nan 0.000 0.563 407 N N 2.971 121.432 118.700 -0.399 0.000 2.708 407 N HA -0.212 4.527 4.740 -0.001 0.000 0.251 407 N C 0.850 176.265 175.510 -0.158 0.000 1.123 407 N CA 1.907 54.783 53.050 -0.289 0.000 0.739 407 N CB -1.620 36.773 38.487 -0.157 0.000 1.113 407 N HN 0.883 nan 8.380 nan 0.000 0.561 408 G N -0.547 108.187 108.800 -0.111 0.000 2.166 408 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.260 408 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.260 408 G C 0.580 175.390 174.900 -0.151 0.000 0.986 408 G CA 0.799 45.828 45.100 -0.120 0.000 0.683 408 G HN 0.585 nan 8.290 nan 0.000 0.527 409 R N -1.383 119.073 120.500 -0.073 0.000 2.615 409 R HA 0.318 4.658 4.340 -0.001 0.000 0.448 409 R C 0.289 176.734 176.300 0.242 0.000 1.009 409 R CA -0.566 55.603 56.100 0.115 0.000 1.111 409 R CB 0.351 30.703 30.300 0.087 0.000 1.461 409 R HN 0.391 nan 8.270 nan 0.000 0.587 410 Y N 0.939 121.364 120.300 0.209 0.000 3.152 410 Y HA -0.323 4.226 4.550 -0.001 0.000 0.212 410 Y C 0.063 176.054 175.900 0.152 0.000 1.198 410 Y CA 0.590 58.801 58.100 0.185 0.000 1.220 410 Y CB -2.020 36.519 38.460 0.131 0.000 1.326 410 Y HN 0.254 nan 8.280 nan 0.000 0.562 411 E N 0.290 120.670 120.200 0.300 0.000 2.392 411 E HA 0.424 4.773 4.350 -0.001 0.000 0.256 411 E C 0.743 177.442 176.600 0.165 0.000 1.145 411 E CA -0.037 56.509 56.400 0.243 0.000 0.929 411 E CB 0.380 30.261 29.700 0.300 0.000 0.998 411 E HN 0.347 nan 8.360 nan 0.000 0.442 412 K N 1.710 122.137 120.400 0.045 0.000 2.448 412 K HA 0.020 4.339 4.320 -0.001 0.000 0.278 412 K C -0.601 175.930 176.600 -0.114 0.000 1.009 412 K CA 0.077 56.309 56.287 -0.092 0.000 0.995 412 K CB -0.276 32.184 32.500 -0.068 0.000 0.917 412 K HN 0.277 nan 8.250 nan 0.000 0.481 413 Y N 1.919 122.081 120.300 -0.230 0.000 2.620 413 Y HA 0.173 4.722 4.550 -0.001 0.000 0.330 413 Y C -1.525 174.098 175.900 -0.461 0.000 1.186 413 Y CA -2.259 55.521 58.100 -0.534 0.000 1.467 413 Y CB -0.419 37.830 38.460 -0.352 0.000 1.262 413 Y HN 0.551 nan 8.280 nan 0.000 0.550 414 P HA 0.041 nan 4.420 nan 0.000 0.269 414 P C -0.499 176.727 177.300 -0.122 0.000 1.205 414 P CA -0.052 62.909 63.100 -0.230 0.000 0.780 414 P CB 0.541 32.102 31.700 -0.232 0.000 0.858 415 A N 1.814 124.603 122.820 -0.052 0.000 2.520 415 A HA 0.397 4.716 4.320 -0.001 0.000 0.235 415 A C 1.574 179.151 177.584 -0.010 0.000 1.065 415 A CA 0.606 52.632 52.037 -0.019 0.000 0.764 415 A CB -1.302 17.698 19.000 -0.001 0.000 1.002 415 A HN 0.925 nan 8.150 nan 0.000 0.502 416 G N 1.123 109.928 108.800 0.008 0.000 2.175 416 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.265 416 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.265 416 G C 0.478 175.396 174.900 0.030 0.000 0.979 416 G CA 0.773 45.887 45.100 0.023 0.000 0.663 416 G HN 1.243 nan 8.290 nan 0.000 0.533 417 T N 1.605 116.162 114.554 0.005 0.000 2.751 417 T HA 0.442 4.792 4.350 -0.001 0.000 0.290 417 T C 0.902 175.648 174.700 0.078 0.000 0.919 417 T CA 0.771 62.869 62.100 -0.004 0.000 1.136 417 T CB 0.955 69.719 68.868 -0.172 0.000 0.875 417 T HN 0.983 nan 8.240 nan 0.000 0.532 418 S N 4.138 119.927 115.700 0.148 0.000 2.564 418 S HA 0.466 4.935 4.470 -0.001 0.000 0.278 418 S C 0.398 175.219 174.600 0.369 0.000 1.333 418 S CA -0.627 57.718 58.200 0.242 0.000 1.048 418 S CB 0.438 63.777 63.200 0.230 0.000 0.900 418 S HN 0.798 nan 8.310 nan 0.000 0.505 419 T N 1.016 115.768 114.554 0.330 0.000 2.907 419 T HA 0.698 5.047 4.350 -0.001 0.000 0.290 419 T C -1.051 173.622 174.700 -0.044 0.000 1.066 419 T CA -0.815 61.413 62.100 0.214 0.000 1.012 419 T CB 1.271 70.225 68.868 0.142 0.000 1.184 419 T HN 0.738 nan 8.240 nan 0.000 0.522 420 F N 1.985 121.662 119.950 -0.455 0.000 2.716 420 F HA 0.447 4.973 4.527 -0.001 0.000 0.354 420 F C -0.925 174.810 175.800 -0.109 0.000 1.168 420 F CA -1.055 56.515 58.000 -0.718 0.000 1.045 420 F CB 0.594 38.609 39.000 -1.641 0.000 1.311 420 F HN 0.800 nan 8.300 nan 0.000 0.477 421 Y N 4.324 124.323 120.300 -0.501 0.000 3.305 421 Y HA -0.189 4.360 4.550 -0.001 0.000 0.212 421 Y C 1.450 177.313 175.900 -0.062 0.000 1.248 421 Y CA 1.329 59.256 58.100 -0.288 0.000 1.359 421 Y CB -1.249 36.987 38.460 -0.373 0.000 1.407 421 Y HN 1.138 nan 8.280 nan 0.000 0.572 422 G N -1.803 107.047 108.800 0.083 0.000 2.268 422 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.240 422 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.240 422 G C 0.418 175.514 174.900 0.326 0.000 1.010 422 G CA 0.171 45.387 45.100 0.193 0.000 0.618 422 G HN 0.381 nan 8.290 nan 0.000 0.516 423 M N 1.455 121.208 119.600 0.256 0.000 2.242 423 M HA 0.560 5.039 4.480 -0.001 0.000 0.344 423 M C 0.745 177.107 176.300 0.105 0.000 1.140 423 M CA 0.268 55.715 55.300 0.245 0.000 1.160 423 M CB 1.316 34.052 32.600 0.227 0.000 1.491 423 M HN 0.474 nan 8.290 nan 0.000 0.459 424 A N 2.565 125.301 122.820 -0.141 0.000 2.328 424 A HA 0.279 4.598 4.320 -0.001 0.000 0.284 424 A C -0.947 176.761 177.584 0.206 0.000 1.160 424 A CA -0.463 51.409 52.037 -0.274 0.000 0.818 424 A CB 0.100 18.600 19.000 -0.834 0.000 1.087 424 A HN 0.738 nan 8.150 nan 0.000 0.504 425 Y N 3.603 124.067 120.300 0.273 0.000 2.650 425 Y HA 0.315 4.864 4.550 -0.001 0.000 0.331 425 Y C 0.070 176.036 175.900 0.110 0.000 1.165 425 Y CA 0.363 58.616 58.100 0.254 0.000 1.473 425 Y CB 0.336 38.856 38.460 0.100 0.000 1.224 425 Y HN 0.682 nan 8.280 nan 0.000 0.533 426 V N 6.340 125.788 119.914 -0.776 0.000 2.487 426 V HA 0.422 4.541 4.120 -0.001 0.000 0.298 426 V C -2.491 172.895 176.094 -1.181 0.000 1.028 426 V CA -2.335 59.456 62.300 -0.849 0.000 0.860 426 V CB 1.816 33.338 31.823 -0.502 0.000 0.991 426 V HN 0.583 nan 8.190 nan 0.000 0.427 427 P HA -0.056 nan 4.420 nan 0.000 0.217 427 P C 0.308 176.989 177.300 -1.032 0.000 1.150 427 P CA 1.458 64.009 63.100 -0.915 0.000 0.832 427 P CB 0.002 31.417 31.700 -0.474 0.000 0.787 428 H N -2.381 116.453 119.070 -0.394 0.000 2.448 428 H HA 0.328 4.883 4.556 -0.001 0.000 0.237 428 H C -2.445 172.654 175.328 -0.382 0.000 1.391 428 H CA -2.336 53.535 56.048 -0.295 0.000 1.477 428 H CB 0.241 29.922 29.762 -0.135 0.000 1.520 428 H HN 0.066 nan 8.280 nan 0.000 0.502 429 P HA -0.109 nan 4.420 nan 0.000 0.265 429 P C 1.132 178.042 177.300 -0.650 0.000 1.187 429 P CA 0.535 63.348 63.100 -0.479 0.000 0.766 429 P CB 1.218 32.700 31.700 -0.364 0.000 0.820 430 V N 0.741 120.141 119.914 -0.856 0.000 0.582 430 V HA -0.321 3.799 4.120 -0.001 0.000 0.092 430 V C 0.222 175.725 176.094 -0.985 0.000 1.874 430 V CA 1.692 63.302 62.300 -1.150 0.000 3.418 430 V CB -2.280 28.378 31.823 -1.942 0.000 0.707 430 V HN 0.438 nan 8.190 nan 0.000 0.732 431 Y N -0.610 119.369 120.300 -0.535 0.000 2.429 431 Y HA 0.827 5.377 4.550 -0.001 0.000 0.342 431 Y C 0.514 176.294 175.900 -0.201 0.000 1.004 431 Y CA -0.538 57.362 58.100 -0.333 0.000 1.075 431 Y CB 1.790 40.056 38.460 -0.324 0.000 1.214 431 Y HN 0.265 nan 8.280 nan 0.000 0.455 432 A N 0.577 123.415 122.820 0.029 0.000 2.382 432 A HA 0.148 4.467 4.320 -0.001 0.000 0.228 432 A C -0.058 177.520 177.584 -0.009 0.000 1.217 432 A CA 0.254 52.270 52.037 -0.035 0.000 0.923 432 A CB 0.217 19.183 19.000 -0.057 0.000 0.979 432 A HN 0.589 nan 8.150 nan 0.000 0.515 433 D N 1.305 121.730 120.400 0.042 0.000 2.408 433 D HA 0.353 4.992 4.640 -0.001 0.000 0.261 433 D C -2.759 173.583 176.300 0.070 0.000 1.190 433 D CA -1.474 52.562 54.000 0.059 0.000 0.910 433 D CB 1.628 42.478 40.800 0.084 0.000 1.097 433 D HN 0.136 nan 8.370 nan 0.000 0.522 434 P HA 0.312 nan 4.420 nan 0.000 0.276 434 P C 0.449 177.774 177.300 0.041 0.000 1.261 434 P CA -0.447 62.692 63.100 0.066 0.000 0.800 434 P CB 0.579 32.342 31.700 0.105 0.000 1.066 435 G N 0.320 109.072 108.800 -0.079 0.000 2.178 435 G HA2 0.084 4.043 3.960 -0.001 0.000 0.244 435 G HA3 0.084 4.043 3.960 -0.001 0.000 0.244 435 G C 1.234 176.261 174.900 0.212 0.000 1.213 435 G CA 0.262 45.202 45.100 -0.267 0.000 0.912 435 G HN 0.549 nan 8.290 nan 0.000 0.474 436 S N 1.543 117.434 115.700 0.319 0.000 2.469 436 S HA -0.126 4.343 4.470 -0.001 0.000 0.238 436 S C 1.535 176.581 174.600 0.744 0.000 0.998 436 S CA 1.087 59.554 58.200 0.444 0.000 0.957 436 S CB -0.000 63.313 63.200 0.188 0.000 0.764 436 S HN 0.508 nan 8.310 nan 0.000 0.514 437 N N 0.996 120.153 118.700 0.763 0.000 2.321 437 N HA 0.205 4.944 4.740 -0.001 0.000 0.242 437 N C 1.138 177.166 175.510 0.864 0.000 1.141 437 N CA -0.131 53.331 53.050 0.686 0.000 0.864 437 N CB 0.025 38.521 38.487 0.016 0.000 1.100 437 N HN 0.648 nan 8.380 nan 0.000 0.510 438 Q N -1.037 119.232 119.800 0.782 0.000 2.137 438 Q HA -0.051 4.288 4.340 -0.001 0.000 0.198 438 Q C -0.209 176.170 176.000 0.630 0.000 0.960 438 Q CA 0.399 56.586 55.803 0.641 0.000 0.847 438 Q CB 0.064 29.054 28.738 0.421 0.000 0.915 438 Q HN 0.369 nan 8.270 nan 0.000 0.448 439 W N 0.956 122.503 121.300 0.413 0.000 2.446 439 W HA 0.021 4.680 4.660 -0.001 0.000 0.316 439 W C 0.488 177.216 176.519 0.348 0.000 1.376 439 W CA -0.764 56.743 57.345 0.269 0.000 1.300 439 W CB 0.083 29.562 29.460 0.031 0.000 1.351 439 W HN 0.167 nan 8.180 nan 0.000 0.530 440 F N 4.897 124.830 119.950 -0.029 0.000 2.250 440 F HA -0.074 4.452 4.527 -0.001 0.000 0.301 440 F C 2.027 177.523 175.800 -0.507 0.000 1.077 440 F CA 2.301 60.241 58.000 -0.099 0.000 1.348 440 F CB -0.539 38.407 39.000 -0.089 0.000 1.040 440 F HN 0.464 nan 8.300 nan 0.000 0.509 441 G N -0.105 107.654 108.800 -1.735 0.000 2.503 441 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.221 441 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.221 441 G C 1.716 175.723 174.900 -1.487 0.000 1.131 441 G CA 1.111 44.797 45.100 -2.356 0.000 0.756 441 G HN 0.477 nan 8.290 nan 0.000 0.572 442 F N 0.630 120.125 119.950 -0.759 0.000 2.216 442 F HA -0.117 4.409 4.527 -0.001 0.000 0.300 442 F C 3.086 178.908 175.800 0.037 0.000 1.085 442 F CA 0.975 58.843 58.000 -0.220 0.000 1.326 442 F CB 0.040 38.989 39.000 -0.085 0.000 1.027 442 F HN 0.086 nan 8.300 nan 0.000 0.497 443 Q N 0.536 120.498 119.800 0.271 0.000 2.030 443 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 443 Q C 2.613 178.791 176.000 0.297 0.000 0.986 443 Q CA 1.629 57.696 55.803 0.440 0.000 0.843 443 Q CB -1.091 27.788 28.738 0.235 0.000 0.904 443 Q HN 0.454 nan 8.270 nan 0.000 0.420 444 A N 0.581 123.423 122.820 0.036 0.000 1.845 444 A HA -0.189 4.130 4.320 -0.001 0.000 0.215 444 A C 1.881 179.661 177.584 0.326 0.000 1.195 444 A CA 1.417 53.594 52.037 0.234 0.000 0.616 444 A CB -1.155 17.938 19.000 0.155 0.000 0.832 444 A HN 0.395 nan 8.150 nan 0.000 0.443 445 W N 0.089 121.432 121.300 0.072 0.000 2.318 445 W HA -0.155 4.504 4.660 -0.001 0.000 0.313 445 W C 3.089 179.680 176.519 0.119 0.000 1.221 445 W CA 1.508 58.928 57.345 0.126 0.000 1.266 445 W CB -1.169 28.353 29.460 0.104 0.000 1.150 445 W HN 0.387 nan 8.180 nan 0.000 0.496 446 S N -1.422 114.503 115.700 0.375 0.000 2.421 446 S HA -0.053 4.416 4.470 -0.001 0.000 0.224 446 S C 1.840 176.577 174.600 0.227 0.000 1.035 446 S CA 0.842 59.231 58.200 0.316 0.000 0.953 446 S CB -0.262 63.117 63.200 0.298 0.000 0.810 446 S HN -0.094 nan 8.310 nan 0.000 0.497 447 M N 1.546 121.161 119.600 0.025 0.000 2.476 447 M HA 0.072 4.551 4.480 -0.001 0.000 0.262 447 M C 2.131 178.283 176.300 -0.248 0.000 1.079 447 M CA 0.810 55.872 55.300 -0.396 0.000 1.104 447 M CB -1.117 30.666 32.600 -1.362 0.000 1.409 447 M HN 0.451 nan 8.290 nan 0.000 0.467 448 Q N 1.118 120.902 119.800 -0.027 0.000 2.124 448 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 448 Q C 1.888 177.920 176.000 0.052 0.000 0.977 448 Q CA 1.573 57.427 55.803 0.085 0.000 0.850 448 Q CB -0.074 28.801 28.738 0.227 0.000 0.901 448 Q HN 0.458 nan 8.270 nan 0.000 0.429 449 R N -0.667 119.858 120.500 0.042 0.000 2.075 449 R HA -0.073 4.266 4.340 -0.001 0.000 0.232 449 R C 2.464 178.785 176.300 0.036 0.000 1.126 449 R CA 1.382 57.504 56.100 0.036 0.000 0.963 449 R CB -0.278 30.073 30.300 0.085 0.000 0.858 449 R HN 0.081 nan 8.270 nan 0.000 0.435 450 V N 0.932 120.802 119.914 -0.073 0.000 2.407 450 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 450 V C 2.289 178.424 176.094 0.068 0.000 1.055 450 V CA 1.493 63.731 62.300 -0.103 0.000 1.049 450 V CB -0.385 31.206 31.823 -0.387 0.000 0.662 450 V HN 0.266 nan 8.190 nan 0.000 0.455 451 M N -0.279 119.350 119.600 0.049 0.000 2.067 451 M HA -0.162 4.318 4.480 -0.001 0.000 0.260 451 M C 2.179 178.564 176.300 0.142 0.000 1.069 451 M CA 1.559 56.953 55.300 0.157 0.000 1.117 451 M CB -1.391 31.309 32.600 0.167 0.000 1.334 451 M HN 0.422 nan 8.290 nan 0.000 0.407 452 E N -0.880 119.345 120.200 0.040 0.000 2.085 452 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 452 E C 2.005 178.647 176.600 0.069 0.000 0.994 452 E CA 1.547 57.914 56.400 -0.055 0.000 0.801 452 E CB -0.454 28.971 29.700 -0.458 0.000 0.743 452 E HN 0.525 nan 8.360 nan 0.000 0.453 453 Y N 0.341 120.684 120.300 0.071 0.000 2.128 453 Y HA -0.336 4.213 4.550 -0.001 0.000 0.284 453 Y C 2.221 178.040 175.900 -0.134 0.000 1.154 453 Y CA 1.860 59.950 58.100 -0.016 0.000 1.149 453 Y CB -0.489 37.945 38.460 -0.043 0.000 0.976 453 Y HN 0.090 nan 8.280 nan 0.000 0.505 454 Y N 0.246 120.398 120.300 -0.247 0.000 2.200 454 Y HA -0.239 4.310 4.550 -0.001 0.000 0.290 454 Y C 2.462 178.237 175.900 -0.209 0.000 1.137 454 Y CA 1.619 59.521 58.100 -0.330 0.000 1.163 454 Y CB -0.807 37.607 38.460 -0.076 0.000 0.988 454 Y HN 0.279 nan 8.280 nan 0.000 0.518 455 L N 0.042 121.238 121.223 -0.046 0.000 2.013 455 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 455 L C 1.962 178.952 176.870 0.199 0.000 1.073 455 L CA 2.160 57.038 54.840 0.063 0.000 0.753 455 L CB -0.314 41.778 42.059 0.055 0.000 0.890 455 L HN 0.286 nan 8.230 nan 0.000 0.432 456 E N -1.123 119.063 120.200 -0.024 0.000 2.385 456 E HA -0.071 4.278 4.350 -0.001 0.000 0.194 456 E C 1.834 178.275 176.600 -0.265 0.000 1.013 456 E CA 1.335 57.693 56.400 -0.071 0.000 0.866 456 E CB 0.216 29.790 29.700 -0.209 0.000 0.832 456 E HN 0.661 nan 8.360 nan 0.000 0.500 457 T N -4.294 109.877 114.554 -0.638 0.000 2.955 457 T HA 0.275 4.625 4.350 -0.001 0.000 0.251 457 T C 1.586 175.629 174.700 -1.095 0.000 1.002 457 T CA 0.631 62.284 62.100 -0.745 0.000 0.970 457 T CB 0.545 68.752 68.868 -1.102 0.000 1.091 457 T HN 0.128 nan 8.240 nan 0.000 0.495 458 G N 2.292 110.051 108.800 -1.735 0.000 2.187 458 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.261 458 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.261 458 G C -0.146 174.141 174.900 -1.023 0.000 1.000 458 G CA 0.297 43.819 45.100 -2.630 0.000 0.718 458 G HN 0.773 nan 8.290 nan 0.000 0.519 459 D N 0.432 120.467 120.400 -0.608 0.000 2.402 459 D HA 0.270 4.909 4.640 -0.001 0.000 0.268 459 D C 1.490 177.796 176.300 0.010 0.000 1.294 459 D CA 0.780 54.653 54.000 -0.212 0.000 0.945 459 D CB 0.460 41.190 40.800 -0.116 0.000 1.112 459 D HN 0.071 nan 8.370 nan 0.000 0.517 460 S N 2.298 117.997 115.700 -0.003 0.000 2.400 460 S HA -0.194 4.276 4.470 -0.001 0.000 0.232 460 S C 1.885 176.510 174.600 0.042 0.000 1.025 460 S CA 1.505 59.731 58.200 0.043 0.000 0.993 460 S CB -0.065 63.155 63.200 0.033 0.000 0.808 460 S HN 0.651 nan 8.310 nan 0.000 0.478 461 S N -0.359 115.380 115.700 0.065 0.000 2.555 461 S HA 0.093 4.563 4.470 -0.001 0.000 0.230 461 S C 1.293 175.933 174.600 0.066 0.000 0.978 461 S CA 0.455 58.705 58.200 0.084 0.000 0.934 461 S CB 0.170 63.441 63.200 0.118 0.000 0.766 461 S HN 0.301 nan 8.310 nan 0.000 0.533 462 V N 0.768 120.695 119.914 0.021 0.000 3.643 462 V HA 0.255 4.374 4.120 -0.001 0.000 0.280 462 V C 2.192 178.170 176.094 -0.193 0.000 1.351 462 V CA 0.539 62.813 62.300 -0.042 0.000 1.073 462 V CB 0.272 32.132 31.823 0.063 0.000 0.863 462 V HN 0.496 nan 8.190 nan 0.000 0.436 463 K N 0.905 121.183 120.400 -0.203 0.000 2.025 463 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 463 K C 1.866 178.399 176.600 -0.112 0.000 1.049 463 K CA 1.973 58.102 56.287 -0.263 0.000 0.933 463 K CB -0.055 32.366 32.500 -0.132 0.000 0.714 463 K HN 0.380 nan 8.250 nan 0.000 0.438 464 N N 1.078 119.756 118.700 -0.036 0.000 2.120 464 N HA -0.175 4.564 4.740 -0.001 0.000 0.188 464 N C 1.714 177.206 175.510 -0.031 0.000 1.024 464 N CA 1.247 54.302 53.050 0.008 0.000 0.852 464 N CB -0.445 38.082 38.487 0.067 0.000 1.003 464 N HN 0.210 nan 8.380 nan 0.000 0.424 465 L N 1.070 122.237 121.223 -0.095 0.000 1.990 465 L HA -0.094 4.246 4.340 -0.001 0.000 0.213 465 L C 1.967 178.798 176.870 -0.064 0.000 1.072 465 L CA 1.537 56.292 54.840 -0.141 0.000 0.755 465 L CB -0.628 41.330 42.059 -0.168 0.000 0.889 465 L HN 0.114 nan 8.230 nan 0.000 0.432 466 I N -0.498 120.012 120.570 -0.099 0.000 2.142 466 I HA -0.275 3.894 4.170 -0.001 0.000 0.240 466 I C 2.460 178.555 176.117 -0.037 0.000 1.078 466 I CA 1.228 62.480 61.300 -0.081 0.000 1.343 466 I CB -0.454 37.448 38.000 -0.165 0.000 1.046 466 I HN 0.285 nan 8.210 nan 0.000 0.405 467 K N 0.810 121.193 120.400 -0.029 0.000 2.057 467 K HA -0.219 4.100 4.320 -0.001 0.000 0.207 467 K C 2.019 178.648 176.600 0.048 0.000 1.049 467 K CA 1.326 57.617 56.287 0.007 0.000 0.931 467 K CB -0.499 32.044 32.500 0.072 0.000 0.714 467 K HN 0.309 nan 8.250 nan 0.000 0.440 468 K N -0.284 120.162 120.400 0.077 0.000 2.057 468 K HA -0.180 4.139 4.320 -0.001 0.000 0.207 468 K C 2.076 178.781 176.600 0.174 0.000 1.049 468 K CA 1.266 57.618 56.287 0.109 0.000 0.931 468 K CB -0.222 32.335 32.500 0.095 0.000 0.714 468 K HN 0.174 nan 8.250 nan 0.000 0.440 469 W N 1.005 122.313 121.300 0.014 0.000 2.355 469 W HA -0.232 4.427 4.660 -0.001 0.000 0.309 469 W C 1.633 178.242 176.519 0.150 0.000 1.206 469 W CA 1.362 58.777 57.345 0.116 0.000 1.284 469 W CB -0.303 29.190 29.460 0.056 0.000 1.145 469 W HN -0.185 nan 8.180 nan 0.000 0.502 470 V N 1.036 121.053 119.914 0.171 0.000 2.287 470 V HA -0.356 3.763 4.120 -0.001 0.000 0.248 470 V C 2.052 178.087 176.094 -0.099 0.000 1.053 470 V CA 2.414 64.667 62.300 -0.078 0.000 1.027 470 V CB -1.071 30.576 31.823 -0.293 0.000 0.646 470 V HN 0.095 nan 8.190 nan 0.000 0.447 471 D N -1.315 119.079 120.400 -0.010 0.000 2.149 471 D HA -0.226 4.413 4.640 -0.001 0.000 0.198 471 D C 1.686 177.996 176.300 0.016 0.000 0.990 471 D CA 1.525 55.534 54.000 0.015 0.000 0.839 471 D CB -0.272 40.565 40.800 0.062 0.000 0.948 471 D HN 0.690 nan 8.370 nan 0.000 0.460 472 W N 1.373 122.569 121.300 -0.172 0.000 2.378 472 W HA -0.149 4.510 4.660 -0.001 0.000 0.313 472 W C 2.138 178.509 176.519 -0.246 0.000 1.197 472 W CA 0.902 58.133 57.345 -0.189 0.000 1.304 472 W CB -0.672 28.668 29.460 -0.200 0.000 1.148 472 W HN -0.240 nan 8.180 nan 0.000 0.494 473 V N 1.522 121.107 119.914 -0.550 0.000 2.295 473 V HA -0.371 3.749 4.120 -0.001 0.000 0.246 473 V C 2.458 178.293 176.094 -0.431 0.000 1.049 473 V CA 2.261 64.135 62.300 -0.710 0.000 1.024 473 V CB -0.829 30.489 31.823 -0.842 0.000 0.648 473 V HN 0.178 nan 8.190 nan 0.000 0.447 474 M N 0.552 119.987 119.600 -0.275 0.000 2.202 474 M HA -0.127 4.352 4.480 -0.001 0.000 0.262 474 M C 2.377 178.572 176.300 -0.176 0.000 1.063 474 M CA 2.250 57.447 55.300 -0.171 0.000 1.097 474 M CB -1.547 30.997 32.600 -0.093 0.000 1.382 474 M HN 0.644 nan 8.290 nan 0.000 0.413 475 S N -0.880 114.702 115.700 -0.197 0.000 2.561 475 S HA -0.006 4.463 4.470 -0.001 0.000 0.225 475 S C 1.402 175.874 174.600 -0.214 0.000 0.977 475 S CA 0.565 58.666 58.200 -0.164 0.000 0.926 475 S CB -0.008 63.131 63.200 -0.101 0.000 0.769 475 S HN 0.385 nan 8.310 nan 0.000 0.533 476 E N 0.515 120.522 120.200 -0.322 0.000 2.490 476 E HA 0.371 4.720 4.350 -0.001 0.000 0.209 476 E C 0.101 176.577 176.600 -0.206 0.000 0.971 476 E CA -0.108 56.110 56.400 -0.303 0.000 0.988 476 E CB 0.396 29.727 29.700 -0.615 0.000 1.029 476 E HN 0.589 nan 8.360 nan 0.000 0.496 477 I N 2.843 123.285 120.570 -0.215 0.000 2.471 477 I HA 0.030 4.199 4.170 -0.001 0.000 0.286 477 I C 0.298 176.323 176.117 -0.153 0.000 1.079 477 I CA -0.009 61.211 61.300 -0.133 0.000 1.398 477 I CB 0.418 38.355 38.000 -0.105 0.000 1.403 477 I HN -0.455 nan 8.210 nan 0.000 0.530 478 K N 8.183 128.486 120.400 -0.162 0.000 2.265 478 K HA 0.597 4.916 4.320 -0.001 0.000 0.267 478 K C -0.775 175.569 176.600 -0.426 0.000 0.994 478 K CA -0.482 55.585 56.287 -0.367 0.000 0.860 478 K CB 1.804 34.041 32.500 -0.438 0.000 1.099 478 K HN 0.511 nan 8.250 nan 0.000 0.448 479 L N 3.651 124.578 121.223 -0.493 0.000 2.329 479 L HA 0.495 4.834 4.340 -0.001 0.000 0.279 479 L C -0.628 175.919 176.870 -0.538 0.000 1.014 479 L CA -1.155 53.482 54.840 -0.340 0.000 0.814 479 L CB 0.845 42.825 42.059 -0.132 0.000 1.257 479 L HN 0.452 nan 8.230 nan 0.000 0.424 480 Y N 0.182 120.509 120.300 0.045 0.000 2.446 480 Y HA 0.213 4.762 4.550 -0.001 0.000 0.338 480 Y C 0.865 176.778 175.900 0.022 0.000 1.055 480 Y CA -0.772 57.339 58.100 0.018 0.000 1.101 480 Y CB 1.416 39.882 38.460 0.011 0.000 1.221 480 Y HN 0.537 nan 8.280 nan 0.000 0.460 481 D N 0.540 121.036 120.400 0.159 0.000 2.309 481 D HA -0.151 4.488 4.640 -0.001 0.000 0.212 481 D C 1.117 177.467 176.300 0.083 0.000 0.968 481 D CA 1.320 55.369 54.000 0.083 0.000 0.882 481 D CB -0.142 40.690 40.800 0.054 0.000 0.918 481 D HN 0.685 nan 8.370 nan 0.000 0.503 482 D N -0.889 119.581 120.400 0.117 0.000 2.328 482 D HA 0.091 4.730 4.640 -0.001 0.000 0.226 482 D C 1.449 177.828 176.300 0.132 0.000 1.066 482 D CA 0.609 54.665 54.000 0.093 0.000 0.861 482 D CB -0.219 40.618 40.800 0.062 0.000 0.912 482 D HN 0.177 nan 8.370 nan 0.000 0.521 483 G N 0.002 108.893 108.800 0.152 0.000 2.157 483 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.248 483 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.248 483 G C 0.498 175.574 174.900 0.292 0.000 0.979 483 G CA 0.622 45.831 45.100 0.181 0.000 0.650 483 G HN 0.800 nan 8.290 nan 0.000 0.529 484 T N -1.293 113.445 114.554 0.306 0.000 2.884 484 T HA 0.857 5.207 4.350 -0.001 0.000 0.277 484 T C -0.052 174.968 174.700 0.535 0.000 0.976 484 T CA -0.104 62.222 62.100 0.378 0.000 0.956 484 T CB 2.157 71.140 68.868 0.192 0.000 1.113 484 T HN 1.582 nan 8.240 nan 0.000 0.554 485 F N -1.957 118.194 119.950 0.334 0.000 2.686 485 F HA 0.869 5.395 4.527 -0.001 0.000 0.311 485 F C -1.275 174.693 175.800 0.280 0.000 1.128 485 F CA -1.507 56.647 58.000 0.257 0.000 0.946 485 F CB 1.089 40.182 39.000 0.155 0.000 1.336 485 F HN 0.926 nan 8.300 nan 0.000 0.457 486 A N 2.097 125.020 122.820 0.172 0.000 2.515 486 A HA 0.870 5.189 4.320 -0.001 0.000 0.298 486 A C -1.311 176.378 177.584 0.175 0.000 1.059 486 A CA -0.684 51.367 52.037 0.023 0.000 0.698 486 A CB 1.550 20.602 19.000 0.087 0.000 1.289 486 A HN 1.324 nan 8.150 nan 0.000 0.404 487 I N -1.412 119.257 120.570 0.166 0.000 2.934 487 I HA 0.720 4.889 4.170 -0.001 0.000 0.306 487 I C -2.967 173.096 176.117 -0.091 0.000 1.110 487 I CA -3.111 58.227 61.300 0.063 0.000 1.019 487 I CB 2.237 40.289 38.000 0.086 0.000 1.227 487 I HN 0.241 nan 8.210 nan 0.000 0.434 488 P HA 0.043 nan 4.420 nan 0.000 0.265 488 P C -0.143 176.887 177.300 -0.449 0.000 1.187 488 P CA 0.214 62.800 63.100 -0.858 0.000 0.766 488 P CB 1.019 31.899 31.700 -1.366 0.000 0.820 489 S N 1.182 116.746 115.700 -0.226 0.000 3.148 489 S HA 0.116 4.585 4.470 -0.001 0.000 0.246 489 S C -0.089 174.625 174.600 0.189 0.000 1.041 489 S CA 0.091 58.334 58.200 0.072 0.000 0.813 489 S CB 0.101 63.349 63.200 0.081 0.000 0.813 489 S HN 0.354 nan 8.310 nan 0.000 0.546 490 D N 1.438 121.886 120.400 0.079 0.000 2.362 490 D HA 0.529 5.169 4.640 -0.001 0.000 0.247 490 D C -1.391 174.966 176.300 0.096 0.000 1.050 490 D CA -0.282 53.812 54.000 0.157 0.000 0.839 490 D CB 1.951 42.826 40.800 0.124 0.000 1.283 490 D HN 0.166 nan 8.370 nan 0.000 0.477 491 L N 1.276 122.618 121.223 0.199 0.000 2.342 491 L HA 0.396 4.735 4.340 -0.001 0.000 0.271 491 L C 0.052 176.953 176.870 0.051 0.000 1.008 491 L CA -0.686 54.208 54.840 0.090 0.000 0.818 491 L CB 1.705 43.898 42.059 0.224 0.000 1.296 491 L HN 0.406 nan 8.230 nan 0.000 0.427 492 E N 1.493 121.596 120.200 -0.162 0.000 2.234 492 E HA 0.417 4.766 4.350 -0.001 0.000 0.266 492 E C -1.913 174.545 176.600 -0.237 0.000 0.877 492 E CA -0.575 55.797 56.400 -0.047 0.000 0.758 492 E CB 1.118 30.831 29.700 0.022 0.000 1.170 492 E HN 0.454 nan 8.360 nan 0.000 0.415 493 W N 2.712 124.103 121.300 0.151 0.000 2.606 493 W HA 0.465 5.124 4.660 -0.001 0.000 0.332 493 W C -0.181 176.399 176.519 0.101 0.000 1.052 493 W CA -0.517 56.885 57.345 0.095 0.000 1.223 493 W CB 2.123 31.599 29.460 0.028 0.000 1.383 493 W HN 0.538 nan 8.180 nan 0.000 0.524 494 S N 1.874 117.766 115.700 0.321 0.000 2.595 494 S HA 0.917 5.387 4.470 -0.001 0.000 0.281 494 S C 0.055 174.780 174.600 0.208 0.000 1.117 494 S CA -0.163 58.181 58.200 0.240 0.000 0.873 494 S CB 1.533 64.837 63.200 0.172 0.000 1.108 494 S HN 1.632 nan 8.310 nan 0.000 0.477 495 G N 1.057 109.953 108.800 0.159 0.000 2.642 495 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.231 495 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.231 495 G C -1.063 173.847 174.900 0.016 0.000 1.338 495 G CA -0.185 44.968 45.100 0.087 0.000 0.883 495 G HN 1.006 nan 8.290 nan 0.000 0.570 496 Q N 0.260 119.981 119.800 -0.132 0.000 2.379 496 Q HA 0.500 4.839 4.340 -0.001 0.000 0.278 496 Q C -2.483 173.234 176.000 -0.472 0.000 1.068 496 Q CA -1.698 53.866 55.803 -0.398 0.000 0.816 496 Q CB 3.341 31.985 28.738 -0.157 0.000 1.387 496 Q HN 0.569 nan 8.270 nan 0.000 0.413 497 P HA -0.031 nan 4.420 nan 0.000 0.270 497 P C -0.772 176.414 177.300 -0.190 0.000 1.223 497 P CA -0.098 62.670 63.100 -0.553 0.000 0.785 497 P CB 0.633 31.695 31.700 -1.064 0.000 0.923 498 D N 0.425 120.808 120.400 -0.028 0.000 2.382 498 D HA 0.048 4.688 4.640 -0.001 0.000 0.240 498 D C 0.346 176.863 176.300 0.363 0.000 1.146 498 D CA 0.571 54.637 54.000 0.110 0.000 0.897 498 D CB 0.083 40.926 40.800 0.073 0.000 1.197 498 D HN 0.233 nan 8.370 nan 0.000 0.432 499 T N 1.649 116.391 114.554 0.313 0.000 2.934 499 T HA -0.101 4.248 4.350 -0.001 0.000 0.306 499 T C 0.299 175.217 174.700 0.364 0.000 1.042 499 T CA -0.099 62.222 62.100 0.369 0.000 1.145 499 T CB 0.295 69.266 68.868 0.172 0.000 0.982 499 T HN 0.252 nan 8.240 nan 0.000 0.544 500 W N 3.199 124.517 121.300 0.029 0.000 2.381 500 W HA 0.074 4.734 4.660 -0.001 0.000 0.321 500 W C 0.214 176.630 176.519 -0.171 0.000 1.407 500 W CA -0.322 56.974 57.345 -0.082 0.000 1.274 500 W CB 0.514 29.743 29.460 -0.386 0.000 1.310 500 W HN 0.621 nan 8.180 nan 0.000 0.551 501 T N 3.680 117.883 114.554 -0.584 0.000 3.054 501 T HA 0.167 4.516 4.350 -0.001 0.000 0.255 501 T C 1.185 175.363 174.700 -0.870 0.000 1.035 501 T CA 0.694 62.440 62.100 -0.590 0.000 0.941 501 T CB 0.164 68.823 68.868 -0.349 0.000 1.026 501 T HN 0.836 nan 8.240 nan 0.000 0.533 502 G N 1.120 108.867 108.800 -1.755 0.000 2.179 502 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.220 502 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.220 502 G C 0.248 174.526 174.900 -1.037 0.000 0.990 502 G CA 0.098 44.453 45.100 -1.240 0.000 0.646 502 G HN 0.510 nan 8.290 nan 0.000 0.517 503 T N -0.220 113.599 114.554 -1.225 0.000 2.993 503 T HA 0.452 4.802 4.350 -0.001 0.000 0.312 503 T C -1.156 173.484 174.700 -0.101 0.000 1.115 503 T CA -0.521 61.325 62.100 -0.424 0.000 1.027 503 T CB 1.824 70.572 68.868 -0.200 0.000 1.116 503 T HN 0.460 nan 8.240 nan 0.000 0.464 504 Y N 3.025 123.433 120.300 0.181 0.000 2.620 504 Y HA 0.207 4.756 4.550 -0.001 0.000 0.330 504 Y C 1.818 177.798 175.900 0.132 0.000 1.186 504 Y CA 0.262 58.546 58.100 0.306 0.000 1.467 504 Y CB 0.817 39.442 38.460 0.274 0.000 1.262 504 Y HN 0.788 nan 8.280 nan 0.000 0.550 505 T N 0.706 115.094 114.554 -0.276 0.000 3.037 505 T HA 0.275 4.624 4.350 -0.001 0.000 0.251 505 T C 1.382 175.739 174.700 -0.572 0.000 1.079 505 T CA 0.538 62.447 62.100 -0.320 0.000 1.067 505 T CB -0.192 68.578 68.868 -0.164 0.000 0.948 505 T HN 1.263 nan 8.240 nan 0.000 0.496 506 G N 1.850 109.866 108.800 -1.308 0.000 2.195 506 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.224 506 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.224 506 G C 0.136 174.729 174.900 -0.510 0.000 0.990 506 G CA -0.176 44.361 45.100 -0.938 0.000 0.639 506 G HN 0.578 nan 8.290 nan 0.000 0.514 507 N N -0.009 118.438 118.700 -0.422 0.000 2.725 507 N HA -0.153 4.586 4.740 -0.001 0.000 0.280 507 N C -1.297 174.073 175.510 -0.234 0.000 1.017 507 N CA 1.321 54.230 53.050 -0.234 0.000 0.813 507 N CB -0.175 38.203 38.487 -0.182 0.000 0.931 507 N HN 0.444 nan 8.380 nan 0.000 0.570 508 P HA -0.046 nan 4.420 nan 0.000 0.234 508 P C 0.176 177.352 177.300 -0.207 0.000 1.167 508 P CA 1.094 64.090 63.100 -0.174 0.000 0.763 508 P CB 0.198 31.843 31.700 -0.092 0.000 0.835 509 N N -1.251 117.330 118.700 -0.198 0.000 2.187 509 N HA 0.128 4.868 4.740 -0.001 0.000 0.212 509 N C -0.334 175.067 175.510 -0.181 0.000 1.152 509 N CA -0.306 52.671 53.050 -0.122 0.000 0.872 509 N CB 0.226 38.693 38.487 -0.033 0.000 1.025 509 N HN 0.008 nan 8.380 nan 0.000 0.514 510 L N 1.800 122.819 121.223 -0.341 0.000 2.262 510 L HA 0.338 4.677 4.340 -0.001 0.000 0.288 510 L C -1.062 175.604 176.870 -0.340 0.000 1.035 510 L CA -0.530 54.154 54.840 -0.259 0.000 0.820 510 L CB 0.085 41.969 42.059 -0.291 0.000 1.204 510 L HN 0.136 nan 8.230 nan 0.000 0.424 511 H N 3.701 122.789 119.070 0.030 0.000 2.524 511 H HA 0.576 5.131 4.556 -0.001 0.000 0.353 511 H C -1.024 174.244 175.328 -0.101 0.000 1.136 511 H CA -0.597 55.436 56.048 -0.025 0.000 1.193 511 H CB 2.603 32.350 29.762 -0.024 0.000 1.558 511 H HN 0.435 nan 8.280 nan 0.000 0.515 512 V N 3.538 123.335 119.914 -0.194 0.000 2.680 512 V HA 0.485 4.604 4.120 -0.001 0.000 0.309 512 V C -0.661 175.289 176.094 -0.239 0.000 1.052 512 V CA -0.594 61.341 62.300 -0.609 0.000 0.908 512 V CB 2.043 33.115 31.823 -1.253 0.000 1.001 512 V HN 0.716 nan 8.190 nan 0.000 0.431 513 R N 3.739 124.099 120.500 -0.234 0.000 2.686 513 R HA 0.666 5.005 4.340 -0.001 0.000 0.286 513 R C -1.523 174.722 176.300 -0.091 0.000 0.969 513 R CA -0.690 55.363 56.100 -0.079 0.000 0.898 513 R CB 2.431 32.696 30.300 -0.058 0.000 1.183 513 R HN 0.594 nan 8.270 nan 0.000 0.456 514 V N 2.737 122.611 119.914 -0.067 0.000 2.461 514 V HA 0.092 4.212 4.120 -0.001 0.000 0.275 514 V C 1.316 177.309 176.094 -0.168 0.000 1.047 514 V CA 0.089 62.270 62.300 -0.199 0.000 0.955 514 V CB 1.276 32.831 31.823 -0.446 0.000 0.988 514 V HN 1.013 nan 8.190 nan 0.000 0.471 515 T N -0.356 114.113 114.554 -0.141 0.000 3.022 515 T HA 0.216 4.566 4.350 -0.001 0.000 0.250 515 T C 0.538 175.210 174.700 -0.045 0.000 1.060 515 T CA 0.434 62.503 62.100 -0.052 0.000 1.013 515 T CB 0.220 69.088 68.868 -0.000 0.000 0.982 515 T HN 0.778 nan 8.240 nan 0.000 0.508 516 S N -0.377 115.228 115.700 -0.158 0.000 2.565 516 S HA 0.719 5.188 4.470 -0.001 0.000 0.269 516 S C -2.003 172.439 174.600 -0.264 0.000 1.153 516 S CA -1.058 57.101 58.200 -0.068 0.000 0.835 516 S CB 1.220 64.435 63.200 0.025 0.000 1.122 516 S HN 0.222 nan 8.310 nan 0.000 0.462 517 Y N -0.347 119.934 120.300 -0.031 0.000 2.602 517 Y HA 0.920 5.469 4.550 -0.001 0.000 0.342 517 Y C 0.926 176.798 175.900 -0.046 0.000 1.029 517 Y CA -0.043 58.020 58.100 -0.062 0.000 1.080 517 Y CB 2.210 40.625 38.460 -0.075 0.000 1.284 517 Y HN 1.239 nan 8.280 nan 0.000 0.485 518 G N -0.732 108.127 108.800 0.099 0.000 2.677 518 G HA2 0.374 4.333 3.960 -0.001 0.000 0.283 518 G HA3 0.374 4.333 3.960 -0.001 0.000 0.283 518 G C -0.875 173.953 174.900 -0.119 0.000 1.221 518 G CA -0.219 44.883 45.100 0.003 0.000 0.851 518 G HN 0.477 nan 8.290 nan 0.000 0.504 519 T N 0.312 114.757 114.554 -0.182 0.000 3.393 519 T HA 0.213 4.562 4.350 -0.001 0.000 0.298 519 T C -0.442 174.114 174.700 -0.239 0.000 1.004 519 T CA -0.111 61.734 62.100 -0.426 0.000 0.956 519 T CB -0.459 68.098 68.868 -0.518 0.000 1.182 519 T HN 0.419 nan 8.240 nan 0.000 0.497 520 D N 2.023 122.392 120.400 -0.051 0.000 2.479 520 D HA 0.001 4.641 4.640 -0.001 0.000 0.257 520 D C 1.360 177.574 176.300 -0.143 0.000 1.230 520 D CA 0.200 54.172 54.000 -0.046 0.000 0.912 520 D CB 0.595 41.473 40.800 0.130 0.000 1.130 520 D HN 0.430 nan 8.370 nan 0.000 0.515 521 L N 3.798 124.801 121.223 -0.367 0.000 2.044 521 L HA -0.045 4.294 4.340 -0.001 0.000 0.205 521 L C 2.575 179.215 176.870 -0.384 0.000 1.075 521 L CA 1.176 55.834 54.840 -0.302 0.000 0.747 521 L CB -0.490 41.415 42.059 -0.257 0.000 0.903 521 L HN 0.514 nan 8.230 nan 0.000 0.435 522 G N -0.148 108.049 108.800 -1.005 0.000 2.446 522 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.217 522 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.217 522 G C 1.577 176.541 174.900 0.106 0.000 1.168 522 G CA 1.024 45.744 45.100 -0.633 0.000 0.771 522 G HN 0.191 nan 8.290 nan 0.000 0.551 523 V N 1.495 121.477 119.914 0.114 0.000 2.407 523 V HA -0.102 4.017 4.120 -0.001 0.000 0.248 523 V C 3.282 179.501 176.094 0.207 0.000 1.055 523 V CA 1.885 64.325 62.300 0.233 0.000 1.049 523 V CB -0.779 31.147 31.823 0.171 0.000 0.662 523 V HN 0.498 nan 8.190 nan 0.000 0.455 524 A N 0.713 123.610 122.820 0.127 0.000 1.877 524 A HA -0.082 4.237 4.320 -0.001 0.000 0.216 524 A C 2.463 180.087 177.584 0.067 0.000 1.186 524 A CA 1.953 54.038 52.037 0.080 0.000 0.620 524 A CB -1.343 17.638 19.000 -0.032 0.000 0.822 524 A HN 0.501 nan 8.150 nan 0.000 0.443 525 G N -0.695 108.148 108.800 0.071 0.000 2.491 525 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.218 525 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.218 525 G C 2.000 176.994 174.900 0.157 0.000 1.180 525 G CA 1.784 46.938 45.100 0.090 0.000 0.774 525 G HN 0.620 nan 8.290 nan 0.000 0.562 526 S N -0.120 115.747 115.700 0.278 0.000 2.356 526 S HA -0.111 4.358 4.470 -0.001 0.000 0.223 526 S C 2.371 177.162 174.600 0.318 0.000 1.032 526 S CA 1.527 59.951 58.200 0.374 0.000 1.005 526 S CB -0.349 63.228 63.200 0.629 0.000 0.867 526 S HN 0.220 nan 8.310 nan 0.000 0.449 527 L N 1.994 123.395 121.223 0.296 0.000 2.042 527 L HA 0.050 4.389 4.340 -0.001 0.000 0.210 527 L C 2.550 179.558 176.870 0.229 0.000 1.076 527 L CA 2.189 57.212 54.840 0.304 0.000 0.749 527 L CB -1.444 40.792 42.059 0.296 0.000 0.893 527 L HN 0.364 nan 8.230 nan 0.000 0.432 528 A N -0.366 122.540 122.820 0.144 0.000 1.865 528 A HA -0.291 4.028 4.320 -0.001 0.000 0.217 528 A C 2.253 179.903 177.584 0.110 0.000 1.191 528 A CA 1.872 53.960 52.037 0.084 0.000 0.623 528 A CB -1.089 17.920 19.000 0.014 0.000 0.826 528 A HN 0.640 nan 8.150 nan 0.000 0.444 529 N N 0.678 119.448 118.700 0.117 0.000 2.036 529 N HA -0.246 4.493 4.740 -0.001 0.000 0.199 529 N C 1.887 177.502 175.510 0.175 0.000 1.036 529 N CA 2.468 55.590 53.050 0.120 0.000 0.870 529 N CB -0.598 37.959 38.487 0.116 0.000 1.055 529 N HN 0.401 nan 8.380 nan 0.000 0.436 530 A N 1.232 124.189 122.820 0.229 0.000 1.873 530 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 530 A C 2.680 180.448 177.584 0.306 0.000 1.193 530 A CA 1.584 53.780 52.037 0.265 0.000 0.629 530 A CB -0.957 18.244 19.000 0.336 0.000 0.826 530 A HN 0.406 nan 8.150 nan 0.000 0.447 531 L N -1.093 120.305 121.223 0.293 0.000 2.093 531 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 531 L C 3.086 180.123 176.870 0.278 0.000 1.085 531 L CA 0.980 56.000 54.840 0.301 0.000 0.755 531 L CB -0.527 41.652 42.059 0.201 0.000 0.904 531 L HN 0.455 nan 8.230 nan 0.000 0.435 532 A N -0.451 122.490 122.820 0.202 0.000 1.898 532 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 532 A C 2.372 180.102 177.584 0.244 0.000 1.181 532 A CA 2.177 54.351 52.037 0.229 0.000 0.620 532 A CB -0.873 18.247 19.000 0.200 0.000 0.819 532 A HN 0.345 nan 8.150 nan 0.000 0.442 533 T N -1.239 113.413 114.554 0.163 0.000 2.652 533 T HA -0.204 4.145 4.350 -0.001 0.000 0.267 533 T C 1.812 176.566 174.700 0.090 0.000 1.039 533 T CA 1.817 63.940 62.100 0.038 0.000 1.153 533 T CB -0.510 68.401 68.868 0.072 0.000 0.863 533 T HN 0.596 nan 8.240 nan 0.000 0.428 534 Y N 2.303 122.675 120.300 0.120 0.000 2.128 534 Y HA -0.126 4.423 4.550 -0.001 0.000 0.284 534 Y C 2.489 178.498 175.900 0.181 0.000 1.154 534 Y CA 1.064 59.272 58.100 0.181 0.000 1.149 534 Y CB -0.895 37.691 38.460 0.209 0.000 0.976 534 Y HN 0.172 nan 8.280 nan 0.000 0.505 535 A N 0.921 123.729 122.820 -0.019 0.000 1.877 535 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 535 A C 2.499 180.103 177.584 0.034 0.000 1.186 535 A CA 2.228 54.230 52.037 -0.058 0.000 0.620 535 A CB -1.651 17.420 19.000 0.117 0.000 0.822 535 A HN 0.694 nan 8.150 nan 0.000 0.443 536 A N -0.120 122.737 122.820 0.061 0.000 1.917 536 A HA 0.061 4.380 4.320 -0.001 0.000 0.219 536 A C 2.508 179.953 177.584 -0.233 0.000 1.182 536 A CA 2.419 54.326 52.037 -0.216 0.000 0.633 536 A CB -1.067 17.508 19.000 -0.708 0.000 0.819 536 A HN 1.157 nan 8.150 nan 0.000 0.448 537 A N -0.394 122.320 122.820 -0.176 0.000 1.933 537 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 537 A C 2.428 179.975 177.584 -0.062 0.000 1.175 537 A CA 2.490 54.470 52.037 -0.095 0.000 0.628 537 A CB -1.397 17.612 19.000 0.015 0.000 0.814 537 A HN 0.827 nan 8.150 nan 0.000 0.444 538 T N -2.020 112.454 114.554 -0.133 0.000 2.821 538 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 538 T C 1.721 176.396 174.700 -0.042 0.000 1.046 538 T CA 1.553 63.615 62.100 -0.064 0.000 1.139 538 T CB -0.311 68.455 68.868 -0.171 0.000 0.871 538 T HN 0.636 nan 8.240 nan 0.000 0.454 539 E N 1.146 121.302 120.200 -0.072 0.000 2.047 539 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 539 E C 2.545 179.055 176.600 -0.151 0.000 0.987 539 E CA 0.779 57.138 56.400 -0.068 0.000 0.799 539 E CB -0.134 29.543 29.700 -0.037 0.000 0.752 539 E HN 0.565 nan 8.360 nan 0.000 0.449 540 R N -0.699 119.635 120.500 -0.276 0.000 2.066 540 R HA -0.132 4.207 4.340 -0.001 0.000 0.232 540 R C 1.549 177.506 176.300 -0.572 0.000 1.131 540 R CA 1.959 57.744 56.100 -0.525 0.000 0.955 540 R CB -0.222 29.593 30.300 -0.809 0.000 0.851 540 R HN 0.271 nan 8.270 nan 0.000 0.432 541 W N 0.309 121.512 121.300 -0.161 0.000 2.907 541 W HA 0.267 4.926 4.660 -0.001 0.000 0.271 541 W C 0.327 176.819 176.519 -0.045 0.000 1.253 541 W CA -0.582 56.681 57.345 -0.137 0.000 1.501 541 W CB 0.571 29.870 29.460 -0.269 0.000 1.047 541 W HN 0.035 nan 8.180 nan 0.000 0.610 542 E N -0.540 119.757 120.200 0.161 0.000 2.259 542 E HA 0.337 4.686 4.350 -0.001 0.000 0.257 542 E C 1.404 178.053 176.600 0.080 0.000 0.998 542 E CA -0.192 56.294 56.400 0.144 0.000 0.866 542 E CB 0.959 30.754 29.700 0.158 0.000 1.220 542 E HN -0.061 nan 8.360 nan 0.000 0.415 543 G N 0.851 109.698 108.800 0.080 0.000 2.503 543 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.221 543 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.221 543 G C 0.281 175.206 174.900 0.040 0.000 1.131 543 G CA 1.546 46.680 45.100 0.056 0.000 0.756 543 G HN 0.474 nan 8.290 nan 0.000 0.572 544 K N -2.007 118.419 120.400 0.043 0.000 2.579 544 K HA 0.544 4.863 4.320 -0.001 0.000 0.284 544 K C -1.268 175.350 176.600 0.029 0.000 0.990 544 K CA -1.231 55.076 56.287 0.033 0.000 0.880 544 K CB 1.068 33.589 32.500 0.035 0.000 1.488 544 K HN -0.044 nan 8.250 nan 0.000 0.425 545 L N 2.065 123.306 121.223 0.030 0.000 2.540 545 L HA 0.104 4.443 4.340 -0.001 0.000 0.276 545 L C -0.316 176.570 176.870 0.027 0.000 1.212 545 L CA 0.725 55.588 54.840 0.039 0.000 0.893 545 L CB 0.216 42.323 42.059 0.079 0.000 1.138 545 L HN 0.722 nan 8.230 nan 0.000 0.491 546 D N 3.580 123.981 120.400 0.003 0.000 2.402 546 D HA 0.016 4.655 4.640 -0.001 0.000 0.235 546 D C 0.831 177.140 176.300 0.016 0.000 1.226 546 D CA 0.130 54.147 54.000 0.029 0.000 0.918 546 D CB 1.032 41.863 40.800 0.052 0.000 1.043 546 D HN 0.775 nan 8.370 nan 0.000 0.506 547 T N 2.956 117.514 114.554 0.006 0.000 2.788 547 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 547 T C 1.784 176.461 174.700 -0.039 0.000 1.044 547 T CA 1.196 63.277 62.100 -0.033 0.000 1.139 547 T CB 0.282 69.143 68.868 -0.012 0.000 0.867 547 T HN 0.372 nan 8.240 nan 0.000 0.454 548 K N 0.733 121.135 120.400 0.004 0.000 2.057 548 K HA 0.075 4.394 4.320 -0.001 0.000 0.206 548 K C 2.521 179.132 176.600 0.018 0.000 1.050 548 K CA 1.134 57.426 56.287 0.008 0.000 0.935 548 K CB -0.234 32.282 32.500 0.028 0.000 0.715 548 K HN 0.249 nan 8.250 nan 0.000 0.439 549 A N 1.480 124.346 122.820 0.078 0.000 1.902 549 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 549 A C 2.105 179.705 177.584 0.026 0.000 1.181 549 A CA 1.509 53.622 52.037 0.127 0.000 0.623 549 A CB -0.493 18.718 19.000 0.352 0.000 0.818 549 A HN 0.226 nan 8.150 nan 0.000 0.443 550 R N -0.326 120.124 120.500 -0.083 0.000 2.080 550 R HA -0.184 4.155 4.340 -0.001 0.000 0.236 550 R C 1.377 177.536 176.300 -0.236 0.000 1.137 550 R CA 2.036 57.957 56.100 -0.298 0.000 0.943 550 R CB -0.445 29.487 30.300 -0.613 0.000 0.846 550 R HN 0.444 nan 8.270 nan 0.000 0.431 551 D N 0.342 120.646 120.400 -0.160 0.000 2.144 551 D HA -0.171 4.468 4.640 -0.001 0.000 0.200 551 D C 1.783 178.039 176.300 -0.074 0.000 0.978 551 D CA 1.156 55.091 54.000 -0.108 0.000 0.833 551 D CB -0.193 40.561 40.800 -0.078 0.000 0.961 551 D HN 0.216 nan 8.370 nan 0.000 0.470 552 M N 1.206 120.773 119.600 -0.054 0.000 2.117 552 M HA -0.040 4.439 4.480 -0.001 0.000 0.262 552 M C 1.938 178.212 176.300 -0.044 0.000 1.065 552 M CA 1.388 56.663 55.300 -0.041 0.000 1.114 552 M CB -0.457 32.130 32.600 -0.023 0.000 1.361 552 M HN -0.038 nan 8.290 nan 0.000 0.408 553 A N -0.056 122.741 122.820 -0.040 0.000 1.908 553 A HA -0.044 4.276 4.320 -0.001 0.000 0.218 553 A C 2.401 179.927 177.584 -0.097 0.000 1.181 553 A CA 2.366 54.375 52.037 -0.046 0.000 0.627 553 A CB -1.543 17.441 19.000 -0.028 0.000 0.818 553 A HN 0.679 nan 8.150 nan 0.000 0.445 554 A N -0.706 122.043 122.820 -0.118 0.000 1.933 554 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 554 A C 1.942 179.524 177.584 -0.003 0.000 1.175 554 A CA 1.628 53.606 52.037 -0.098 0.000 0.628 554 A CB -0.417 18.565 19.000 -0.030 0.000 0.814 554 A HN 0.480 nan 8.150 nan 0.000 0.444 555 E N 0.144 120.329 120.200 -0.025 0.000 2.085 555 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 555 E C 2.053 178.623 176.600 -0.049 0.000 0.994 555 E CA 1.123 57.511 56.400 -0.020 0.000 0.801 555 E CB -0.464 29.216 29.700 -0.035 0.000 0.743 555 E HN 0.684 nan 8.360 nan 0.000 0.453 556 L N 0.318 121.478 121.223 -0.104 0.000 2.046 556 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 556 L C 2.581 179.352 176.870 -0.166 0.000 1.077 556 L CA 0.720 55.422 54.840 -0.230 0.000 0.747 556 L CB -0.413 41.538 42.059 -0.180 0.000 0.896 556 L HN -0.013 nan 8.230 nan 0.000 0.432 557 V N 0.002 119.894 119.914 -0.035 0.000 2.358 557 V HA -0.247 3.872 4.120 -0.001 0.000 0.246 557 V C 2.216 178.481 176.094 0.286 0.000 1.047 557 V CA 1.737 64.085 62.300 0.080 0.000 1.035 557 V CB -0.656 31.166 31.823 -0.002 0.000 0.658 557 V HN 0.474 nan 8.190 nan 0.000 0.452 558 N N 0.506 119.398 118.700 0.321 0.000 2.084 558 N HA -0.149 4.590 4.740 -0.001 0.000 0.190 558 N C 1.982 177.784 175.510 0.487 0.000 1.030 558 N CA 1.492 54.841 53.050 0.499 0.000 0.849 558 N CB -0.343 38.260 38.487 0.193 0.000 1.012 558 N HN 0.482 nan 8.380 nan 0.000 0.423 559 R N 0.417 121.077 120.500 0.267 0.000 2.119 559 R HA 0.181 4.520 4.340 -0.001 0.000 0.222 559 R C 2.196 178.762 176.300 0.443 0.000 1.088 559 R CA 0.935 57.235 56.100 0.334 0.000 0.984 559 R CB -0.198 30.250 30.300 0.246 0.000 0.884 559 R HN 0.161 nan 8.270 nan 0.000 0.447 560 A N 1.208 124.159 122.820 0.218 0.000 1.877 560 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 560 A C 1.866 179.779 177.584 0.550 0.000 1.186 560 A CA 0.998 53.274 52.037 0.398 0.000 0.620 560 A CB -0.881 18.195 19.000 0.125 0.000 0.822 560 A HN 0.601 nan 8.150 nan 0.000 0.443 561 W N -0.774 120.712 121.300 0.311 0.000 2.378 561 W HA -0.228 4.431 4.660 -0.001 0.000 0.313 561 W C 2.079 178.801 176.519 0.338 0.000 1.197 561 W CA 1.962 59.480 57.345 0.290 0.000 1.304 561 W CB -0.563 29.013 29.460 0.194 0.000 1.148 561 W HN 0.473 nan 8.180 nan 0.000 0.494 562 Y N 2.439 122.932 120.300 0.322 0.000 2.128 562 Y HA -0.258 4.291 4.550 -0.001 0.000 0.284 562 Y C 2.310 178.205 175.900 -0.008 0.000 1.154 562 Y CA 2.536 60.725 58.100 0.148 0.000 1.149 562 Y CB -1.008 37.621 38.460 0.281 0.000 0.976 562 Y HN -0.059 nan 8.280 nan 0.000 0.505 563 N N -1.198 117.487 118.700 -0.026 0.000 2.446 563 N HA -0.051 4.688 4.740 -0.001 0.000 0.179 563 N C 0.190 175.190 175.510 -0.850 0.000 1.054 563 N CA 0.834 53.596 53.050 -0.480 0.000 0.905 563 N CB -0.024 38.242 38.487 -0.367 0.000 0.973 563 N HN 0.342 nan 8.380 nan 0.000 0.448 564 F N -0.548 119.390 119.950 -0.020 0.000 2.764 564 F HA 0.216 4.742 4.527 -0.001 0.000 0.310 564 F C 0.127 175.858 175.800 -0.114 0.000 1.124 564 F CA -0.974 57.001 58.000 -0.043 0.000 1.252 564 F CB -0.398 38.618 39.000 0.027 0.000 1.010 564 F HN -0.121 nan 8.300 nan 0.000 0.518 565 Y N 1.343 121.466 120.300 -0.295 0.000 2.712 565 Y HA 0.100 4.649 4.550 -0.001 0.000 0.333 565 Y C 0.300 176.052 175.900 -0.245 0.000 1.225 565 Y CA -0.626 57.203 58.100 -0.452 0.000 1.499 565 Y CB 0.474 38.549 38.460 -0.642 0.000 1.288 565 Y HN 0.165 nan 8.280 nan 0.000 0.575 566 C N 6.778 125.664 119.300 -0.691 0.000 2.281 566 C HA 0.239 4.698 4.460 -0.001 0.000 0.336 566 C C 1.642 176.278 174.990 -0.588 0.000 1.217 566 C CA 0.151 58.919 59.018 -0.418 0.000 1.730 566 C CB -0.765 26.880 27.740 -0.159 0.000 2.338 566 C HN 1.071 nan 8.230 nan 0.000 0.521 567 S N 3.038 118.604 115.700 -0.223 0.000 2.419 567 S HA -0.067 4.402 4.470 -0.001 0.000 0.233 567 S C 1.825 176.390 174.600 -0.058 0.000 1.016 567 S CA 2.052 60.224 58.200 -0.046 0.000 0.974 567 S CB -0.009 63.210 63.200 0.032 0.000 0.786 567 S HN 1.005 nan 8.310 nan 0.000 0.492 568 E N -0.167 119.982 120.200 -0.085 0.000 2.476 568 E HA 0.402 4.751 4.350 -0.001 0.000 0.191 568 E C 1.167 177.722 176.600 -0.074 0.000 1.064 568 E CA 0.662 57.028 56.400 -0.056 0.000 0.866 568 E CB -1.160 28.514 29.700 -0.043 0.000 0.952 568 E HN 0.890 nan 8.360 nan 0.000 0.492 569 G N 0.357 109.078 108.800 -0.132 0.000 2.141 569 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.231 569 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.231 569 G C 1.029 175.889 174.900 -0.067 0.000 0.984 569 G CA 0.430 45.473 45.100 -0.095 0.000 0.660 569 G HN 0.465 nan 8.290 nan 0.000 0.525 570 K N 0.039 120.388 120.400 -0.085 0.000 2.404 570 K HA 0.459 4.778 4.320 -0.001 0.000 0.194 570 K C 1.761 178.455 176.600 0.158 0.000 1.023 570 K CA 0.714 56.998 56.287 -0.004 0.000 1.094 570 K CB 0.459 32.811 32.500 -0.247 0.000 0.841 570 K HN 1.249 nan 8.250 nan 0.000 0.523 571 G N 0.793 109.613 108.800 0.033 0.000 2.893 571 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.222 571 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.222 571 G C -0.558 174.324 174.900 -0.031 0.000 1.345 571 G CA -0.361 44.792 45.100 0.089 0.000 1.129 571 G HN 0.156 nan 8.290 nan 0.000 0.560 572 V N -1.564 118.405 119.914 0.090 0.000 3.019 572 V HA 0.949 5.068 4.120 -0.001 0.000 0.317 572 V C 0.009 176.103 176.094 -0.001 0.000 1.094 572 V CA -0.328 61.994 62.300 0.036 0.000 1.000 572 V CB 1.504 33.409 31.823 0.137 0.000 1.060 572 V HN 2.007 nan 8.190 nan 0.000 0.443 573 V N 0.811 120.698 119.914 -0.045 0.000 2.932 573 V HA 0.612 4.731 4.120 -0.001 0.000 0.307 573 V C -0.078 175.994 176.094 -0.037 0.000 1.147 573 V CA 0.138 62.293 62.300 -0.240 0.000 0.951 573 V CB 2.504 34.061 31.823 -0.443 0.000 1.031 573 V HN 1.229 nan 8.190 nan 0.000 0.426 574 T N 4.327 118.812 114.554 -0.114 0.000 2.899 574 T HA 0.444 4.793 4.350 -0.001 0.000 0.284 574 T C -0.693 173.982 174.700 -0.041 0.000 1.004 574 T CA -0.108 61.956 62.100 -0.060 0.000 1.043 574 T CB 0.911 69.764 68.868 -0.025 0.000 1.013 574 T HN 0.801 nan 8.240 nan 0.000 0.518 575 E N 1.985 122.196 120.200 0.018 0.000 2.255 575 E HA 0.326 4.675 4.350 -0.001 0.000 0.256 575 E C -1.104 175.474 176.600 -0.037 0.000 0.887 575 E CA -0.566 55.819 56.400 -0.024 0.000 0.782 575 E CB 0.678 30.395 29.700 0.029 0.000 1.214 575 E HN 0.716 nan 8.360 nan 0.000 0.417 576 E N 2.587 122.732 120.200 -0.092 0.000 2.292 576 E HA 0.636 4.986 4.350 -0.001 0.000 0.272 576 E C -1.329 175.209 176.600 -0.104 0.000 0.881 576 E CA -1.242 55.117 56.400 -0.068 0.000 0.754 576 E CB 1.697 31.387 29.700 -0.017 0.000 1.201 576 E HN 0.346 nan 8.360 nan 0.000 0.425 577 A N 3.584 126.359 122.820 -0.075 0.000 2.362 577 A HA 0.358 4.677 4.320 -0.001 0.000 0.276 577 A C -0.205 177.309 177.584 -0.118 0.000 1.153 577 A CA -0.729 51.255 52.037 -0.088 0.000 0.813 577 A CB 0.157 19.127 19.000 -0.050 0.000 1.081 577 A HN 0.478 nan 8.150 nan 0.000 0.507 578 R N 3.083 123.459 120.500 -0.206 0.000 2.790 578 R HA 0.345 4.684 4.340 -0.001 0.000 0.274 578 R C 1.100 177.312 176.300 -0.146 0.000 1.334 578 R CA 0.272 56.178 56.100 -0.323 0.000 1.543 578 R CB 0.100 29.794 30.300 -1.009 0.000 1.154 578 R HN 0.819 nan 8.270 nan 0.000 0.601 579 A N 2.016 124.811 122.820 -0.041 0.000 1.908 579 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 579 A C 1.589 179.193 177.584 0.033 0.000 1.181 579 A CA 1.885 53.928 52.037 0.010 0.000 0.627 579 A CB -0.177 18.831 19.000 0.014 0.000 0.818 579 A HN 0.609 nan 8.150 nan 0.000 0.445 580 D N -1.624 118.811 120.400 0.058 0.000 2.354 580 D HA -0.207 4.432 4.640 -0.001 0.000 0.216 580 D C 1.176 177.440 176.300 -0.061 0.000 0.970 580 D CA 0.914 54.928 54.000 0.024 0.000 0.905 580 D CB -0.520 40.414 40.800 0.224 0.000 0.903 580 D HN 0.513 nan 8.370 nan 0.000 0.508 581 Y N 1.893 122.153 120.300 -0.068 0.000 2.571 581 Y HA -0.042 4.507 4.550 -0.001 0.000 0.294 581 Y C 2.355 178.194 175.900 -0.102 0.000 1.141 581 Y CA 0.138 58.242 58.100 0.007 0.000 1.308 581 Y CB -0.423 38.161 38.460 0.206 0.000 1.002 581 Y HN 0.211 nan 8.280 nan 0.000 0.551 582 K N 0.518 120.950 120.400 0.053 0.000 2.152 582 K HA -0.203 4.116 4.320 -0.001 0.000 0.206 582 K C 1.696 178.162 176.600 -0.224 0.000 1.048 582 K CA 1.617 57.940 56.287 0.059 0.000 0.933 582 K CB -0.402 32.181 32.500 0.139 0.000 0.721 582 K HN 0.206 nan 8.250 nan 0.000 0.447 583 R N -0.342 119.814 120.500 -0.573 0.000 2.237 583 R HA -0.019 4.320 4.340 -0.001 0.000 0.219 583 R C 1.857 177.685 176.300 -0.787 0.000 1.080 583 R CA 0.949 56.554 56.100 -0.825 0.000 0.995 583 R CB -0.407 29.017 30.300 -1.460 0.000 0.875 583 R HN 0.171 nan 8.270 nan 0.000 0.462 584 F N -0.192 119.174 119.950 -0.973 0.000 2.184 584 F HA -0.250 4.276 4.527 -0.001 0.000 0.301 584 F C 1.290 176.675 175.800 -0.692 0.000 1.076 584 F CA 1.750 59.252 58.000 -0.831 0.000 1.295 584 F CB 0.053 38.257 39.000 -1.328 0.000 1.026 584 F HN -0.032 nan 8.300 nan 0.000 0.494 585 F N -2.333 117.578 119.950 -0.066 0.000 2.711 585 F HA 0.143 4.670 4.527 -0.001 0.000 0.296 585 F C 1.869 177.601 175.800 -0.113 0.000 1.096 585 F CA -0.033 57.876 58.000 -0.152 0.000 1.280 585 F CB -0.265 38.345 39.000 -0.650 0.000 1.060 585 F HN -0.240 nan 8.300 nan 0.000 0.608 586 E N 0.055 120.255 120.200 -0.000 0.000 2.340 586 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 586 E C 0.638 177.269 176.600 0.051 0.000 0.996 586 E CA 0.012 56.447 56.400 0.059 0.000 0.869 586 E CB 0.144 29.881 29.700 0.060 0.000 0.835 586 E HN 0.068 nan 8.360 nan 0.000 0.493 587 Q N 2.344 122.151 119.800 0.012 0.000 2.307 587 Q HA 0.027 4.366 4.340 -0.001 0.000 0.259 587 Q C -0.829 175.255 176.000 0.140 0.000 0.998 587 Q CA 0.143 55.980 55.803 0.057 0.000 0.923 587 Q CB 0.686 29.442 28.738 0.030 0.000 1.196 587 Q HN -0.006 nan 8.270 nan 0.000 0.416 588 E N 2.867 123.147 120.200 0.134 0.000 2.290 588 E HA 0.249 4.598 4.350 -0.001 0.000 0.277 588 E C -1.110 175.595 176.600 0.175 0.000 1.035 588 E CA -0.479 56.010 56.400 0.149 0.000 0.873 588 E CB 0.707 30.488 29.700 0.135 0.000 1.029 588 E HN 0.443 nan 8.360 nan 0.000 0.419 589 V N 6.051 126.069 119.914 0.173 0.000 2.406 589 V HA 0.043 4.163 4.120 -0.001 0.000 0.272 589 V C -0.312 175.881 176.094 0.165 0.000 1.043 589 V CA -0.555 61.852 62.300 0.178 0.000 0.915 589 V CB 0.368 32.282 31.823 0.151 0.000 0.988 589 V HN 0.630 nan 8.190 nan 0.000 0.466 590 Y N 5.693 126.038 120.300 0.075 0.000 2.544 590 Y HA 0.402 4.951 4.550 -0.001 0.000 0.330 590 Y C -0.113 175.792 175.900 0.008 0.000 1.136 590 Y CA 0.207 58.339 58.100 0.053 0.000 1.417 590 Y CB 0.821 39.322 38.460 0.068 0.000 1.229 590 Y HN 0.401 nan 8.280 nan 0.000 0.532 591 V N 9.062 128.619 119.914 -0.595 0.000 2.487 591 V HA 0.348 4.467 4.120 -0.001 0.000 0.298 591 V C -2.217 173.397 176.094 -0.800 0.000 1.028 591 V CA -2.312 59.666 62.300 -0.538 0.000 0.860 591 V CB 1.652 33.357 31.823 -0.198 0.000 0.991 591 V HN 0.728 nan 8.190 nan 0.000 0.427 592 P HA 0.099 nan 4.420 nan 0.000 0.264 592 P C -0.157 177.070 177.300 -0.121 0.000 1.183 592 P CA 0.155 63.077 63.100 -0.296 0.000 0.763 592 P CB 0.401 32.058 31.700 -0.072 0.000 0.807 593 A N 3.494 126.266 122.820 -0.079 0.000 2.545 593 A HA 0.389 4.708 4.320 -0.001 0.000 0.253 593 A C 1.628 179.224 177.584 0.020 0.000 1.074 593 A CA 0.853 52.877 52.037 -0.023 0.000 0.760 593 A CB -1.414 17.588 19.000 0.003 0.000 1.005 593 A HN 0.886 nan 8.150 nan 0.000 0.506 594 G N 1.382 110.192 108.800 0.016 0.000 2.217 594 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.246 594 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.246 594 G C 0.189 175.091 174.900 0.004 0.000 0.990 594 G CA 0.297 45.399 45.100 0.003 0.000 0.627 594 G HN 1.230 nan 8.290 nan 0.000 0.522 595 W N 2.216 123.444 121.300 -0.120 0.000 2.253 595 W HA 0.591 5.250 4.660 -0.001 0.000 0.322 595 W C 0.374 176.810 176.519 -0.138 0.000 1.342 595 W CA 0.858 58.117 57.345 -0.143 0.000 1.218 595 W CB 0.644 30.003 29.460 -0.170 0.000 1.205 595 W HN 0.826 nan 8.180 nan 0.000 0.551 596 S N 3.490 118.781 115.700 -0.681 0.000 2.548 596 S HA 0.843 5.312 4.470 -0.001 0.000 0.276 596 S C -0.479 173.514 174.600 -1.010 0.000 1.129 596 S CA -0.360 57.523 58.200 -0.529 0.000 0.931 596 S CB 1.407 64.416 63.200 -0.317 0.000 1.068 596 S HN 0.935 nan 8.310 nan 0.000 0.480 597 G N 0.420 108.914 108.800 -0.511 0.000 2.608 597 G HA2 0.815 4.774 3.960 -0.001 0.000 0.291 597 G HA3 0.815 4.774 3.960 -0.001 0.000 0.291 597 G C -0.723 174.148 174.900 -0.049 0.000 1.425 597 G CA 0.181 45.053 45.100 -0.380 0.000 0.787 597 G HN 1.388 nan 8.290 nan 0.000 0.484 598 T N -1.281 113.267 114.554 -0.010 0.000 2.863 598 T HA 0.649 4.998 4.350 -0.001 0.000 0.285 598 T C 0.234 175.041 174.700 0.178 0.000 1.009 598 T CA -0.857 61.286 62.100 0.072 0.000 0.989 598 T CB 1.535 70.428 68.868 0.042 0.000 1.004 598 T HN 0.410 nan 8.240 nan 0.000 0.455 599 M N 2.906 122.589 119.600 0.138 0.000 2.242 599 M HA 0.265 4.744 4.480 -0.001 0.000 0.344 599 M C -1.618 174.640 176.300 -0.071 0.000 1.140 599 M CA -2.687 52.651 55.300 0.064 0.000 1.160 599 M CB 0.322 32.892 32.600 -0.051 0.000 1.491 599 M HN 0.442 nan 8.290 nan 0.000 0.459 600 P HA -0.173 nan 4.420 nan 0.000 0.222 600 P C 0.600 177.763 177.300 -0.228 0.000 1.139 600 P CA 1.332 64.141 63.100 -0.485 0.000 0.790 600 P CB -0.081 30.975 31.700 -1.073 0.000 0.757 601 N N -2.580 115.978 118.700 -0.236 0.000 2.184 601 N HA 0.104 4.843 4.740 -0.001 0.000 0.206 601 N C 1.235 176.673 175.510 -0.120 0.000 1.151 601 N CA 0.649 53.579 53.050 -0.200 0.000 0.878 601 N CB -0.004 38.302 38.487 -0.302 0.000 1.014 601 N HN 0.171 nan 8.380 nan 0.000 0.512 602 G N -0.566 108.191 108.800 -0.071 0.000 2.279 602 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.223 602 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.223 602 G C 0.201 175.078 174.900 -0.038 0.000 1.015 602 G CA 0.312 45.388 45.100 -0.041 0.000 0.621 602 G HN 0.816 nan 8.290 nan 0.000 0.506 603 D N 1.102 121.463 120.400 -0.065 0.000 2.648 603 D HA 0.564 5.203 4.640 -0.001 0.000 0.229 603 D C 0.450 176.751 176.300 0.003 0.000 1.119 603 D CA 1.811 55.786 54.000 -0.042 0.000 0.850 603 D CB -0.257 40.499 40.800 -0.074 0.000 1.169 603 D HN 1.676 nan 8.370 nan 0.000 0.489 604 K N 1.663 122.072 120.400 0.015 0.000 2.211 604 K HA 0.616 4.935 4.320 -0.001 0.000 0.275 604 K C 0.034 176.676 176.600 0.070 0.000 1.024 604 K CA -0.535 55.772 56.287 0.033 0.000 0.887 604 K CB 0.483 32.991 32.500 0.014 0.000 1.084 604 K HN 0.641 nan 8.250 nan 0.000 0.463 605 I N 3.473 124.115 120.570 0.120 0.000 2.301 605 I HA 0.269 4.438 4.170 -0.001 0.000 0.292 605 I C 0.443 176.685 176.117 0.207 0.000 1.046 605 I CA -0.309 61.109 61.300 0.196 0.000 1.282 605 I CB 0.680 38.889 38.000 0.350 0.000 1.409 605 I HN 0.884 nan 8.210 nan 0.000 0.484 606 Q N 6.096 125.975 119.800 0.132 0.000 2.633 606 Q HA 0.537 4.876 4.340 -0.001 0.000 0.289 606 Q C -3.057 172.968 176.000 0.043 0.000 0.940 606 Q CA -2.168 53.693 55.803 0.096 0.000 0.785 606 Q CB 1.743 30.510 28.738 0.048 0.000 1.467 606 Q HN 0.123 nan 8.270 nan 0.000 0.401 607 P HA 0.044 nan 4.420 nan 0.000 0.264 607 P C 0.557 177.864 177.300 0.012 0.000 1.179 607 P CA 2.340 65.421 63.100 -0.031 0.000 0.763 607 P CB 0.231 31.907 31.700 -0.040 0.000 0.806 608 G N 2.059 110.875 108.800 0.026 0.000 2.175 608 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 608 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 608 G C 0.270 175.215 174.900 0.075 0.000 0.982 608 G CA 0.090 45.224 45.100 0.056 0.000 0.641 608 G HN 0.694 nan 8.290 nan 0.000 0.527 609 I N -1.052 119.561 120.570 0.072 0.000 2.692 609 I HA 0.554 4.723 4.170 -0.001 0.000 0.284 609 I C 0.330 176.518 176.117 0.119 0.000 1.159 609 I CA -0.455 60.899 61.300 0.090 0.000 1.423 609 I CB 0.556 38.603 38.000 0.078 0.000 1.380 609 I HN -0.202 nan 8.210 nan 0.000 0.580 610 K N 4.493 124.977 120.400 0.140 0.000 2.098 610 K HA 0.199 4.518 4.320 -0.001 0.000 0.258 610 K C 0.364 177.090 176.600 0.210 0.000 0.973 610 K CA -0.656 55.741 56.287 0.183 0.000 0.898 610 K CB 1.206 33.828 32.500 0.204 0.000 1.057 610 K HN 0.763 nan 8.250 nan 0.000 0.447 611 F N 1.840 121.845 119.950 0.092 0.000 2.063 611 F HA -0.346 4.180 4.527 -0.001 0.000 0.297 611 F C 1.795 177.659 175.800 0.106 0.000 1.099 611 F CA 1.914 59.967 58.000 0.088 0.000 1.220 611 F CB -0.224 38.827 39.000 0.085 0.000 0.972 611 F HN 0.546 nan 8.300 nan 0.000 0.487 612 I N 0.879 121.634 120.570 0.309 0.000 2.567 612 I HA -0.243 3.926 4.170 -0.001 0.000 0.257 612 I C 1.805 177.998 176.117 0.126 0.000 1.184 612 I CA 1.528 62.993 61.300 0.274 0.000 1.451 612 I CB -0.898 37.374 38.000 0.455 0.000 1.089 612 I HN 0.184 nan 8.210 nan 0.000 0.441 613 D N 0.579 121.041 120.400 0.103 0.000 2.178 613 D HA -0.094 4.545 4.640 -0.001 0.000 0.202 613 D C 1.987 178.292 176.300 0.009 0.000 0.974 613 D CA 1.858 55.898 54.000 0.067 0.000 0.841 613 D CB -0.144 40.708 40.800 0.086 0.000 0.953 613 D HN 0.588 nan 8.370 nan 0.000 0.478 614 I N -2.417 118.136 120.570 -0.028 0.000 3.883 614 I HA 0.223 4.392 4.170 -0.001 0.000 0.326 614 I C 0.566 176.610 176.117 -0.122 0.000 1.283 614 I CA 0.033 61.306 61.300 -0.045 0.000 1.161 614 I CB 0.201 38.206 38.000 0.010 0.000 1.012 614 I HN -0.312 nan 8.210 nan 0.000 0.421 615 R N 0.484 120.893 120.500 -0.152 0.000 2.834 615 R HA 0.269 4.608 4.340 -0.001 0.000 0.362 615 R C 0.808 177.043 176.300 -0.109 0.000 1.147 615 R CA -0.130 55.848 56.100 -0.203 0.000 1.125 615 R CB 0.511 30.718 30.300 -0.155 0.000 1.361 615 R HN 0.102 nan 8.270 nan 0.000 0.598 616 T N 1.096 115.548 114.554 -0.170 0.000 2.803 616 T HA -0.135 4.214 4.350 -0.001 0.000 0.269 616 T C 1.459 176.065 174.700 -0.157 0.000 1.052 616 T CA 1.356 63.382 62.100 -0.123 0.000 1.136 616 T CB 0.082 68.872 68.868 -0.131 0.000 0.864 616 T HN 0.323 nan 8.240 nan 0.000 0.467 617 K N -0.056 120.168 120.400 -0.294 0.000 2.360 617 K HA -0.069 4.250 4.320 -0.001 0.000 0.201 617 K C 1.695 178.332 176.600 0.061 0.000 1.046 617 K CA 0.725 56.865 56.287 -0.245 0.000 0.945 617 K CB -0.186 31.960 32.500 -0.590 0.000 0.750 617 K HN 0.333 nan 8.250 nan 0.000 0.464 618 Y N 1.826 122.209 120.300 0.137 0.000 2.256 618 Y HA -0.147 4.402 4.550 -0.001 0.000 0.288 618 Y C 1.954 177.782 175.900 -0.120 0.000 1.155 618 Y CA 0.962 59.207 58.100 0.241 0.000 1.203 618 Y CB -0.151 38.570 38.460 0.435 0.000 0.980 618 Y HN -0.004 nan 8.280 nan 0.000 0.530 619 R N -0.622 119.676 120.500 -0.337 0.000 2.193 619 R HA -0.192 4.148 4.340 -0.001 0.000 0.229 619 R C 1.372 177.443 176.300 -0.381 0.000 1.110 619 R CA 1.296 56.784 56.100 -1.020 0.000 0.988 619 R CB -0.185 29.661 30.300 -0.757 0.000 0.871 619 R HN 0.299 nan 8.270 nan 0.000 0.458 620 Q N 0.253 119.989 119.800 -0.107 0.000 2.320 620 Q HA 0.067 4.407 4.340 -0.001 0.000 0.201 620 Q C -0.396 175.660 176.000 0.093 0.000 0.910 620 Q CA 0.138 55.941 55.803 -0.000 0.000 0.946 620 Q CB 0.407 29.141 28.738 -0.006 0.000 1.062 620 Q HN 0.171 nan 8.270 nan 0.000 0.503 621 D N -0.006 120.507 120.400 0.187 0.000 2.350 621 D HA 0.013 4.653 4.640 -0.001 0.000 0.249 621 D C -1.686 174.729 176.300 0.193 0.000 1.119 621 D CA -1.809 52.338 54.000 0.245 0.000 0.886 621 D CB 1.527 42.581 40.800 0.423 0.000 1.195 621 D HN -0.035 nan 8.370 nan 0.000 0.437 622 P HA -0.150 nan 4.420 nan 0.000 0.218 622 P C 0.122 177.298 177.300 -0.207 0.000 1.146 622 P CA 1.246 64.331 63.100 -0.024 0.000 0.820 622 P CB 0.015 31.716 31.700 0.002 0.000 0.778 623 Y N -4.255 116.101 120.300 0.093 0.000 2.555 623 Y HA 0.152 4.701 4.550 -0.001 0.000 0.259 623 Y C 1.906 177.852 175.900 0.076 0.000 1.179 623 Y CA -0.565 57.576 58.100 0.068 0.000 1.230 623 Y CB -0.617 37.870 38.460 0.046 0.000 1.146 623 Y HN -0.066 nan 8.280 nan 0.000 0.526 624 Y N 1.062 121.408 120.300 0.077 0.000 2.133 624 Y HA -0.246 4.304 4.550 -0.001 0.000 0.287 624 Y C 1.967 177.922 175.900 0.091 0.000 1.134 624 Y CA 1.864 59.991 58.100 0.045 0.000 1.133 624 Y CB -0.211 38.294 38.460 0.075 0.000 0.987 624 Y HN 0.050 nan 8.280 nan 0.000 0.502 625 D N 0.487 120.937 120.400 0.084 0.000 2.116 625 D HA -0.251 4.388 4.640 -0.001 0.000 0.193 625 D C 2.322 178.607 176.300 -0.025 0.000 0.998 625 D CA 2.179 56.192 54.000 0.023 0.000 0.836 625 D CB -0.418 40.415 40.800 0.055 0.000 0.951 625 D HN 0.474 nan 8.370 nan 0.000 0.449 626 I N 0.804 121.367 120.570 -0.012 0.000 2.264 626 I HA -0.235 3.934 4.170 -0.001 0.000 0.248 626 I C 2.478 178.606 176.117 0.017 0.000 1.111 626 I CA 0.886 62.192 61.300 0.011 0.000 1.382 626 I CB -0.127 37.910 38.000 0.061 0.000 1.060 626 I HN -0.011 nan 8.210 nan 0.000 0.418 627 V N -2.634 117.282 119.914 0.003 0.000 2.878 627 V HA -0.186 3.933 4.120 -0.001 0.000 0.250 627 V C 2.311 178.465 176.094 0.100 0.000 1.075 627 V CA 0.777 63.105 62.300 0.045 0.000 1.096 627 V CB -1.086 30.735 31.823 -0.003 0.000 0.724 627 V HN 0.314 nan 8.190 nan 0.000 0.467 628 Y N 2.136 122.291 120.300 -0.241 0.000 2.133 628 Y HA -0.092 4.457 4.550 -0.001 0.000 0.287 628 Y C 2.754 178.526 175.900 -0.214 0.000 1.134 628 Y CA 2.240 60.101 58.100 -0.399 0.000 1.133 628 Y CB -0.336 37.718 38.460 -0.677 0.000 0.987 628 Y HN 0.256 nan 8.280 nan 0.000 0.502 629 Q N -0.155 119.539 119.800 -0.176 0.000 2.226 629 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 629 Q C 2.407 178.303 176.000 -0.173 0.000 0.975 629 Q CA 1.266 56.947 55.803 -0.203 0.000 0.866 629 Q CB -0.727 27.955 28.738 -0.093 0.000 0.915 629 Q HN 0.598 nan 8.270 nan 0.000 0.440 630 A N 0.314 123.081 122.820 -0.088 0.000 1.929 630 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 630 A C 1.960 179.524 177.584 -0.033 0.000 1.176 630 A CA 1.025 53.038 52.037 -0.042 0.000 0.628 630 A CB -0.657 18.355 19.000 0.019 0.000 0.816 630 A HN 0.391 nan 8.150 nan 0.000 0.444 631 Y N 0.919 121.118 120.300 -0.168 0.000 2.133 631 Y HA -0.154 4.396 4.550 -0.001 0.000 0.287 631 Y C 1.871 177.604 175.900 -0.278 0.000 1.134 631 Y CA 1.714 59.706 58.100 -0.180 0.000 1.133 631 Y CB -0.564 37.756 38.460 -0.233 0.000 0.987 631 Y HN 0.198 nan 8.280 nan 0.000 0.502 632 L N 0.296 121.120 121.223 -0.664 0.000 2.043 632 L HA -0.292 4.047 4.340 -0.001 0.000 0.212 632 L C 2.795 179.412 176.870 -0.423 0.000 1.075 632 L CA 2.011 56.457 54.840 -0.656 0.000 0.752 632 L CB -1.068 40.655 42.059 -0.559 0.000 0.891 632 L HN 0.299 nan 8.230 nan 0.000 0.432 633 R N 0.474 120.798 120.500 -0.293 0.000 2.313 633 R HA 0.247 4.586 4.340 -0.001 0.000 0.199 633 R C 1.544 177.743 176.300 -0.168 0.000 0.958 633 R CA 0.736 56.719 56.100 -0.195 0.000 1.047 633 R CB -1.358 28.860 30.300 -0.137 0.000 0.955 633 R HN 0.534 nan 8.270 nan 0.000 0.481 634 G N 0.514 109.191 108.800 -0.205 0.000 2.273 634 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.280 634 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.280 634 G C -0.256 174.607 174.900 -0.062 0.000 1.047 634 G CA 0.541 45.561 45.100 -0.133 0.000 0.869 634 G HN 0.653 nan 8.290 nan 0.000 0.502 635 E N -0.811 119.363 120.200 -0.044 0.000 2.336 635 E HA 0.691 5.040 4.350 -0.001 0.000 0.267 635 E C 0.256 176.862 176.600 0.011 0.000 0.906 635 E CA -0.557 55.831 56.400 -0.021 0.000 0.781 635 E CB 1.735 31.413 29.700 -0.037 0.000 1.261 635 E HN 0.653 nan 8.360 nan 0.000 0.436 636 A N 3.085 125.907 122.820 0.004 0.000 2.354 636 A HA 0.369 4.688 4.320 -0.001 0.000 0.281 636 A C -2.113 175.463 177.584 -0.012 0.000 1.174 636 A CA -1.128 50.911 52.037 0.004 0.000 0.828 636 A CB -0.329 18.663 19.000 -0.013 0.000 1.099 636 A HN 0.282 nan 8.150 nan 0.000 0.516 637 P HA 0.300 nan 4.420 nan 0.000 0.274 637 P C -0.733 176.524 177.300 -0.072 0.000 1.231 637 P CA -0.165 62.927 63.100 -0.014 0.000 0.790 637 P CB 1.014 32.739 31.700 0.042 0.000 0.951 638 V N 3.290 123.164 119.914 -0.067 0.000 2.409 638 V HA 0.315 4.435 4.120 -0.001 0.000 0.291 638 V C 0.278 176.287 176.094 -0.141 0.000 1.020 638 V CA -0.412 61.827 62.300 -0.102 0.000 0.848 638 V CB 1.078 32.858 31.823 -0.072 0.000 0.990 638 V HN 0.373 nan 8.190 nan 0.000 0.430 639 L N 4.786 125.860 121.223 -0.248 0.000 2.319 639 L HA 0.646 4.985 4.340 -0.001 0.000 0.267 639 L C -0.109 176.450 176.870 -0.518 0.000 1.011 639 L CA -0.427 54.148 54.840 -0.442 0.000 0.818 639 L CB 2.029 43.695 42.059 -0.656 0.000 1.316 639 L HN 0.503 nan 8.230 nan 0.000 0.432 640 N N 1.518 119.857 118.700 -0.603 0.000 2.407 640 N HA 0.407 5.146 4.740 -0.001 0.000 0.277 640 N C -1.581 173.597 175.510 -0.553 0.000 0.995 640 N CA -0.337 52.433 53.050 -0.467 0.000 0.903 640 N CB 1.568 39.893 38.487 -0.270 0.000 1.218 640 N HN 0.469 nan 8.380 nan 0.000 0.487 641 Y N 0.234 120.385 120.300 -0.247 0.000 2.409 641 Y HA 0.269 4.818 4.550 -0.001 0.000 0.343 641 Y C -0.088 175.607 175.900 -0.342 0.000 0.973 641 Y CA -1.011 56.950 58.100 -0.232 0.000 1.064 641 Y CB 1.630 39.974 38.460 -0.194 0.000 1.207 641 Y HN 0.463 nan 8.280 nan 0.000 0.452 642 H N 2.165 121.278 119.070 0.071 0.000 2.572 642 H HA 0.346 4.902 4.556 -0.001 0.000 0.248 642 H C -0.642 174.709 175.328 0.039 0.000 1.397 642 H CA -0.783 55.301 56.048 0.061 0.000 1.319 642 H CB 0.154 29.918 29.762 0.002 0.000 1.452 642 H HN 0.400 nan 8.280 nan 0.000 0.535 643 R N 1.085 121.528 120.500 -0.095 0.000 2.438 643 R HA 0.039 4.378 4.340 -0.001 0.000 0.287 643 R C 0.642 176.864 176.300 -0.130 0.000 1.077 643 R CA -0.368 55.551 56.100 -0.302 0.000 1.034 643 R CB 0.612 30.396 30.300 -0.860 0.000 0.993 643 R HN 0.466 nan 8.270 nan 0.000 0.459 644 F N 4.147 123.997 119.950 -0.166 0.000 2.065 644 F HA -0.284 4.243 4.527 -0.001 0.000 0.298 644 F C 1.867 177.568 175.800 -0.165 0.000 1.112 644 F CA 1.710 59.605 58.000 -0.175 0.000 1.212 644 F CB -0.095 38.789 39.000 -0.195 0.000 0.975 644 F HN 0.719 nan 8.300 nan 0.000 0.476 645 W N 0.102 121.254 121.300 -0.247 0.000 2.402 645 W HA -0.153 4.506 4.660 -0.001 0.000 0.286 645 W C 1.912 178.264 176.519 -0.279 0.000 1.221 645 W CA 1.410 58.445 57.345 -0.518 0.000 1.257 645 W CB -1.585 27.522 29.460 -0.589 0.000 1.120 645 W HN 0.228 nan 8.180 nan 0.000 0.551 646 H N 1.055 119.617 119.070 -0.847 0.000 2.321 646 H HA -0.140 4.416 4.556 -0.001 0.000 0.300 646 H C 2.287 177.417 175.328 -0.330 0.000 1.087 646 H CA 1.757 57.383 56.048 -0.704 0.000 1.319 646 H CB 0.148 29.505 29.762 -0.675 0.000 1.379 646 H HN 0.095 nan 8.280 nan 0.000 0.501 647 E N 0.531 120.613 120.200 -0.197 0.000 2.110 647 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 647 E C 2.496 178.960 176.600 -0.225 0.000 0.988 647 E CA 0.658 56.934 56.400 -0.207 0.000 0.804 647 E CB -0.267 29.212 29.700 -0.368 0.000 0.745 647 E HN 0.289 nan 8.360 nan 0.000 0.458 648 V N 2.008 121.730 119.914 -0.321 0.000 2.323 648 V HA -0.191 3.928 4.120 -0.001 0.000 0.244 648 V C 2.078 178.174 176.094 0.003 0.000 1.041 648 V CA 1.724 63.918 62.300 -0.178 0.000 1.025 648 V CB -0.456 31.267 31.823 -0.167 0.000 0.656 648 V HN 0.087 nan 8.190 nan 0.000 0.451 649 D N 0.013 120.464 120.400 0.085 0.000 2.133 649 D HA -0.182 4.458 4.640 -0.001 0.000 0.195 649 D C 2.005 178.345 176.300 0.067 0.000 0.997 649 D CA 1.421 55.529 54.000 0.179 0.000 0.840 649 D CB -0.153 40.908 40.800 0.435 0.000 0.947 649 D HN 0.311 nan 8.370 nan 0.000 0.452 650 L N 0.883 122.129 121.223 0.038 0.000 1.994 650 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 650 L C 2.207 179.105 176.870 0.047 0.000 1.071 650 L CA 2.152 57.019 54.840 0.045 0.000 0.745 650 L CB -0.936 41.165 42.059 0.070 0.000 0.892 650 L HN -0.023 nan 8.230 nan 0.000 0.431 651 A N -1.204 121.640 122.820 0.039 0.000 1.908 651 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 651 A C 2.276 180.019 177.584 0.266 0.000 1.181 651 A CA 2.053 54.159 52.037 0.115 0.000 0.627 651 A CB -1.118 17.876 19.000 -0.010 0.000 0.818 651 A HN 0.333 nan 8.150 nan 0.000 0.445 652 V N -0.235 119.722 119.914 0.071 0.000 2.358 652 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 652 V C 3.062 179.072 176.094 -0.139 0.000 1.047 652 V CA 1.766 63.989 62.300 -0.128 0.000 1.035 652 V CB -1.233 30.251 31.823 -0.564 0.000 0.658 652 V HN 0.627 nan 8.190 nan 0.000 0.452 653 A N -0.116 122.653 122.820 -0.086 0.000 1.892 653 A HA -0.326 3.994 4.320 -0.001 0.000 0.218 653 A C 2.234 179.766 177.584 -0.086 0.000 1.188 653 A CA 2.633 54.634 52.037 -0.060 0.000 0.631 653 A CB -0.562 18.426 19.000 -0.019 0.000 0.822 653 A HN 0.530 nan 8.150 nan 0.000 0.447 654 M N -0.759 118.820 119.600 -0.035 0.000 2.108 654 M HA -0.119 4.360 4.480 -0.001 0.000 0.261 654 M C 2.294 178.559 176.300 -0.059 0.000 1.066 654 M CA 1.542 56.829 55.300 -0.022 0.000 1.107 654 M CB -0.694 31.976 32.600 0.116 0.000 1.356 654 M HN 0.495 nan 8.290 nan 0.000 0.406 655 G N -0.312 108.410 108.800 -0.130 0.000 2.422 655 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.218 655 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.218 655 G C 1.502 176.197 174.900 -0.342 0.000 1.140 655 G CA 0.633 45.491 45.100 -0.403 0.000 0.775 655 G HN 0.315 nan 8.290 nan 0.000 0.545 656 V N 0.722 120.514 119.914 -0.203 0.000 2.307 656 V HA -0.097 4.022 4.120 -0.001 0.000 0.245 656 V C 2.818 178.913 176.094 0.000 0.000 1.045 656 V CA 1.041 63.291 62.300 -0.083 0.000 1.024 656 V CB -0.407 31.441 31.823 0.041 0.000 0.651 656 V HN 0.207 nan 8.190 nan 0.000 0.449 657 L N 0.658 121.868 121.223 -0.021 0.000 2.013 657 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 657 L C 2.657 179.559 176.870 0.053 0.000 1.073 657 L CA 2.465 57.323 54.840 0.031 0.000 0.753 657 L CB -1.648 40.205 42.059 -0.343 0.000 0.890 657 L HN 0.335 nan 8.230 nan 0.000 0.432 658 A N -1.981 120.818 122.820 -0.036 0.000 1.978 658 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 658 A C 2.347 179.800 177.584 -0.217 0.000 1.170 658 A CA 2.283 54.274 52.037 -0.076 0.000 0.636 658 A CB -0.801 18.114 19.000 -0.142 0.000 0.810 658 A HN 0.472 nan 8.150 nan 0.000 0.448 659 T N -1.916 112.417 114.554 -0.367 0.000 2.809 659 T HA -0.014 4.335 4.350 -0.001 0.000 0.260 659 T C 1.463 175.765 174.700 -0.662 0.000 1.039 659 T CA 1.529 63.252 62.100 -0.629 0.000 1.141 659 T CB -0.302 68.001 68.868 -0.942 0.000 0.869 659 T HN 0.626 nan 8.240 nan 0.000 0.437 660 Y N -0.914 119.213 120.300 -0.289 0.000 2.458 660 Y HA 0.368 4.917 4.550 -0.001 0.000 0.254 660 Y C 0.170 175.516 175.900 -0.923 0.000 1.120 660 Y CA -0.334 57.411 58.100 -0.592 0.000 1.282 660 Y CB 0.519 38.553 38.460 -0.709 0.000 1.109 660 Y HN 0.090 nan 8.280 nan 0.000 0.526 661 F N 0.302 120.286 119.950 0.056 0.000 2.593 661 F HA 0.347 4.873 4.527 -0.001 0.000 0.336 661 F C -2.082 173.740 175.800 0.035 0.000 1.491 661 F CA -2.590 55.439 58.000 0.048 0.000 1.114 661 F CB 0.754 39.787 39.000 0.056 0.000 1.468 661 F HN -0.162 nan 8.300 nan 0.000 0.579 662 P HA -0.103 nan 4.420 nan 0.000 0.226 662 P C 0.659 177.998 177.300 0.064 0.000 1.153 662 P CA 1.269 64.391 63.100 0.035 0.000 0.777 662 P CB 0.456 32.131 31.700 -0.042 0.000 0.794 663 D N -0.876 119.580 120.400 0.092 0.000 2.323 663 D HA 0.052 4.691 4.640 -0.001 0.000 0.209 663 D C 1.224 177.576 176.300 0.087 0.000 0.973 663 D CA 0.478 54.521 54.000 0.071 0.000 0.874 663 D CB -0.215 40.623 40.800 0.064 0.000 0.930 663 D HN 0.261 nan 8.370 nan 0.000 0.521 664 M N 0.165 119.864 119.600 0.165 0.000 2.245 664 M HA 0.111 4.591 4.480 -0.001 0.000 0.330 664 M C 0.199 176.564 176.300 0.109 0.000 1.098 664 M CA 0.822 56.242 55.300 0.200 0.000 1.172 664 M CB 1.003 33.799 32.600 0.327 0.000 1.467 664 M HN -0.301 nan 8.290 nan 0.000 0.454 665 T N 1.648 116.179 114.554 -0.039 0.000 3.071 665 T HA 0.256 4.606 4.350 -0.001 0.000 0.311 665 T C -1.312 173.170 174.700 -0.364 0.000 1.042 665 T CA -0.561 61.368 62.100 -0.284 0.000 1.028 665 T CB 0.659 69.454 68.868 -0.122 0.000 1.068 665 T HN 0.474 nan 8.240 nan 0.000 0.451 666 Y N 3.358 123.211 120.300 -0.744 0.000 2.805 666 Y HA 0.386 4.935 4.550 -0.001 0.000 0.337 666 Y C 0.131 175.930 175.900 -0.168 0.000 1.252 666 Y CA 0.743 58.599 58.100 -0.408 0.000 1.515 666 Y CB 0.145 38.380 38.460 -0.376 0.000 1.305 666 Y HN 0.722 nan 8.280 nan 0.000 0.600 667 K N 5.296 125.142 120.400 -0.922 0.000 2.527 667 K HA 0.637 4.957 4.320 -0.001 0.000 0.260 667 K C -1.429 174.571 176.600 -1.000 0.000 0.937 667 K CA -0.372 55.492 56.287 -0.705 0.000 0.826 667 K CB 0.851 33.145 32.500 -0.344 0.000 1.359 667 K HN 1.134 nan 8.250 nan 0.000 0.434 668 V N 3.477 122.997 119.914 -0.655 0.000 2.599 668 V HA 0.405 4.524 4.120 -0.001 0.000 0.300 668 V C -1.733 174.068 176.094 -0.488 0.000 1.034 668 V CA -0.765 61.145 62.300 -0.651 0.000 1.115 668 V CB 0.446 31.864 31.823 -0.675 0.000 0.934 668 V HN 0.927 nan 8.190 nan 0.000 0.485 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.983 63.100 -0.195 0.000 0.800 669 P CB 0.000 31.669 31.700 -0.052 0.000 0.726