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 1l2a_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 0.000 174.877 174.900 -0.038 0.000 0.946 28 G CA 0.000 45.080 45.100 -0.033 0.000 0.502 29 P HA 0.435 nan 4.420 nan 0.000 0.275 29 P C -0.554 176.673 177.300 -0.123 0.000 1.227 29 P CA 0.313 63.369 63.100 -0.074 0.000 0.781 29 P CB 1.560 33.204 31.700 -0.093 0.000 0.906 30 T N 0.893 115.377 114.554 -0.117 0.000 2.900 30 T HA 0.313 4.662 4.350 -0.001 0.000 0.303 30 T C -0.501 174.089 174.700 -0.184 0.000 1.142 30 T CA -0.985 61.038 62.100 -0.130 0.000 1.007 30 T CB 0.947 69.786 68.868 -0.049 0.000 1.156 30 T HN 0.107 nan 8.240 nan 0.000 0.490 31 K N 2.180 122.393 120.400 -0.313 0.000 2.485 31 K HA 0.405 4.725 4.320 -0.001 0.000 0.277 31 K C 0.486 176.818 176.600 -0.447 0.000 0.990 31 K CA -0.122 55.837 56.287 -0.546 0.000 0.994 31 K CB 0.022 32.138 32.500 -0.639 0.000 0.906 31 K HN 0.815 nan 8.250 nan 0.000 0.488 32 A N 4.878 127.375 122.820 -0.538 0.000 2.454 32 A HA 0.192 4.511 4.320 -0.001 0.000 0.260 32 A C -1.126 176.259 177.584 -0.331 0.000 1.106 32 A CA -0.963 50.583 52.037 -0.819 0.000 0.780 32 A CB -0.030 18.556 19.000 -0.691 0.000 1.044 32 A HN 0.477 nan 8.150 nan 0.000 0.498 33 P HA -0.010 nan 4.420 nan 0.000 0.241 33 P C 0.328 177.626 177.300 -0.003 0.000 1.191 33 P CA 0.376 63.393 63.100 -0.138 0.000 0.771 33 P CB -0.426 31.185 31.700 -0.148 0.000 0.929 34 T N 1.328 115.908 114.554 0.042 0.000 2.830 34 T HA 0.120 4.470 4.350 -0.001 0.000 0.282 34 T C 0.818 175.639 174.700 0.203 0.000 1.024 34 T CA 0.602 62.809 62.100 0.179 0.000 1.144 34 T CB -0.178 68.872 68.868 0.304 0.000 1.035 34 T HN 0.298 nan 8.240 nan 0.000 0.507 35 K N 2.756 123.237 120.400 0.136 0.000 2.350 35 K HA 0.196 4.516 4.320 -0.001 0.000 0.279 35 K C 0.154 176.831 176.600 0.127 0.000 1.027 35 K CA -0.687 55.659 56.287 0.097 0.000 0.969 35 K CB 0.051 32.583 32.500 0.053 0.000 0.954 35 K HN 0.709 nan 8.250 nan 0.000 0.474 36 D N 0.985 121.419 120.400 0.056 0.000 2.472 36 D HA 0.347 4.986 4.640 -0.001 0.000 0.237 36 D C 1.417 177.714 176.300 -0.006 0.000 1.141 36 D CA 1.904 55.900 54.000 -0.007 0.000 0.875 36 D CB 0.761 41.517 40.800 -0.073 0.000 1.192 36 D HN 0.968 nan 8.370 nan 0.000 0.450 37 G N 1.333 110.114 108.800 -0.032 0.000 2.176 37 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.253 37 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.253 37 G C 0.519 175.392 174.900 -0.046 0.000 0.979 37 G CA 0.319 45.393 45.100 -0.044 0.000 0.641 37 G HN 0.598 nan 8.290 nan 0.000 0.530 38 T N 2.084 116.626 114.554 -0.019 0.000 2.888 38 T HA 0.477 4.827 4.350 -0.001 0.000 0.301 38 T C 1.059 175.650 174.700 -0.182 0.000 1.001 38 T CA 0.596 62.657 62.100 -0.065 0.000 1.147 38 T CB 1.156 69.998 68.868 -0.043 0.000 0.931 38 T HN 1.198 nan 8.240 nan 0.000 0.541 39 S N 3.270 118.873 115.700 -0.162 0.000 2.576 39 S HA 0.134 4.603 4.470 -0.001 0.000 0.276 39 S C 0.845 175.303 174.600 -0.236 0.000 1.339 39 S CA -0.563 57.527 58.200 -0.184 0.000 1.039 39 S CB 0.229 63.380 63.200 -0.082 0.000 0.902 39 S HN 0.575 nan 8.310 nan 0.000 0.516 40 Y N 1.794 122.077 120.300 -0.029 0.000 2.256 40 Y HA -0.107 4.442 4.550 -0.001 0.000 0.288 40 Y C 2.472 178.334 175.900 -0.063 0.000 1.155 40 Y CA 1.648 59.713 58.100 -0.058 0.000 1.203 40 Y CB -0.571 37.868 38.460 -0.035 0.000 0.980 40 Y HN 0.813 nan 8.280 nan 0.000 0.530 41 K N 0.332 120.764 120.400 0.055 0.000 2.020 41 K HA -0.231 4.088 4.320 -0.001 0.000 0.212 41 K C 1.561 178.191 176.600 0.050 0.000 1.050 41 K CA 2.184 58.475 56.287 0.008 0.000 0.929 41 K CB -0.194 32.275 32.500 -0.052 0.000 0.714 41 K HN 0.166 nan 8.250 nan 0.000 0.443 42 D N 0.611 121.003 120.400 -0.014 0.000 2.144 42 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 42 D C 1.985 178.244 176.300 -0.070 0.000 0.978 42 D CA 0.756 54.739 54.000 -0.028 0.000 0.833 42 D CB -0.055 40.717 40.800 -0.048 0.000 0.961 42 D HN 0.235 nan 8.370 nan 0.000 0.470 43 L N -0.111 121.021 121.223 -0.152 0.000 2.017 43 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 43 L C 2.381 179.104 176.870 -0.245 0.000 1.073 43 L CA 1.001 55.634 54.840 -0.345 0.000 0.745 43 L CB -0.418 41.327 42.059 -0.523 0.000 0.894 43 L HN 0.033 nan 8.230 nan 0.000 0.432 44 F N 0.560 120.400 119.950 -0.183 0.000 2.171 44 F HA -0.230 4.296 4.527 -0.001 0.000 0.300 44 F C 2.175 177.968 175.800 -0.012 0.000 1.090 44 F CA 1.451 59.389 58.000 -0.104 0.000 1.293 44 F CB -0.137 38.811 39.000 -0.087 0.000 1.013 44 F HN -0.093 nan 8.300 nan 0.000 0.486 45 L N 0.176 121.399 121.223 0.001 0.000 2.093 45 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 45 L C 2.529 179.374 176.870 -0.042 0.000 1.085 45 L CA 1.715 56.546 54.840 -0.015 0.000 0.755 45 L CB -0.795 41.321 42.059 0.095 0.000 0.904 45 L HN 0.267 nan 8.230 nan 0.000 0.435 46 E N 0.663 120.831 120.200 -0.054 0.000 2.031 46 E HA -0.255 4.095 4.350 -0.001 0.000 0.193 46 E C 2.379 178.974 176.600 -0.009 0.000 0.994 46 E CA 1.196 57.599 56.400 0.005 0.000 0.800 46 E CB -0.039 29.692 29.700 0.051 0.000 0.752 46 E HN 0.413 nan 8.360 nan 0.000 0.447 47 L N 0.148 121.305 121.223 -0.110 0.000 2.056 47 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 47 L C 2.478 179.234 176.870 -0.191 0.000 1.078 47 L CA 1.496 56.285 54.840 -0.084 0.000 0.749 47 L CB -0.410 41.576 42.059 -0.122 0.000 0.901 47 L HN 0.347 nan 8.230 nan 0.000 0.433 48 Y N 0.501 120.504 120.300 -0.495 0.000 2.081 48 Y HA -0.272 4.277 4.550 -0.001 0.000 0.280 48 Y C 2.278 178.017 175.900 -0.267 0.000 1.163 48 Y CA 1.953 59.761 58.100 -0.488 0.000 1.135 48 Y CB -0.789 37.250 38.460 -0.702 0.000 0.970 48 Y HN 0.169 nan 8.280 nan 0.000 0.498 49 G N -0.105 108.653 108.800 -0.069 0.000 2.469 49 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.219 49 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.219 49 G C 1.665 176.500 174.900 -0.109 0.000 1.150 49 G CA 1.313 46.374 45.100 -0.065 0.000 0.763 49 G HN 0.425 nan 8.290 nan 0.000 0.561 50 K N -0.260 120.096 120.400 -0.072 0.000 2.116 50 K HA 0.178 4.497 4.320 -0.001 0.000 0.203 50 K C 2.441 179.040 176.600 -0.003 0.000 1.052 50 K CA 0.558 56.841 56.287 -0.007 0.000 0.952 50 K CB -0.147 32.379 32.500 0.044 0.000 0.729 50 K HN 0.316 nan 8.250 nan 0.000 0.446 51 I N 1.301 121.763 120.570 -0.181 0.000 2.286 51 I HA -0.254 3.915 4.170 -0.001 0.000 0.248 51 I C 1.705 177.815 176.117 -0.013 0.000 1.115 51 I CA 1.147 62.259 61.300 -0.314 0.000 1.392 51 I CB -0.067 37.646 38.000 -0.478 0.000 1.065 51 I HN 0.028 nan 8.210 nan 0.000 0.418 52 K N 0.160 120.435 120.400 -0.208 0.000 2.404 52 K HA 0.066 4.385 4.320 -0.001 0.000 0.194 52 K C 0.149 176.674 176.600 -0.125 0.000 1.023 52 K CA 0.146 56.291 56.287 -0.238 0.000 1.094 52 K CB -0.377 31.775 32.500 -0.580 0.000 0.841 52 K HN 0.155 nan 8.250 nan 0.000 0.523 53 D N 2.648 123.028 120.400 -0.033 0.000 2.339 53 D HA 0.028 4.667 4.640 -0.001 0.000 0.256 53 D C -1.407 174.905 176.300 0.021 0.000 1.214 53 D CA -2.023 51.970 54.000 -0.013 0.000 0.877 53 D CB 1.449 42.251 40.800 0.004 0.000 1.111 53 D HN -0.074 nan 8.370 nan 0.000 0.478 54 P HA -0.198 nan 4.420 nan 0.000 0.218 54 P C 1.181 178.483 177.300 0.002 0.000 1.148 54 P CA 1.538 64.636 63.100 -0.003 0.000 0.822 54 P CB 0.100 31.783 31.700 -0.028 0.000 0.784 55 K N 0.401 120.797 120.400 -0.006 0.000 2.211 55 K HA -0.174 4.145 4.320 -0.001 0.000 0.204 55 K C 1.867 178.443 176.600 -0.039 0.000 1.047 55 K CA 1.775 58.051 56.287 -0.017 0.000 0.935 55 K CB -1.725 30.765 32.500 -0.016 0.000 0.728 55 K HN 0.205 nan 8.250 nan 0.000 0.452 56 N N -0.666 118.016 118.700 -0.031 0.000 2.331 56 N HA 0.011 4.750 4.740 -0.001 0.000 0.180 56 N C 1.415 176.798 175.510 -0.212 0.000 1.019 56 N CA 1.321 54.306 53.050 -0.109 0.000 0.881 56 N CB 0.212 38.686 38.487 -0.022 0.000 0.972 56 N HN 0.719 nan 8.380 nan 0.000 0.435 57 G N -0.159 108.589 108.800 -0.087 0.000 2.137 57 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.237 57 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.237 57 G C 0.471 175.315 174.900 -0.092 0.000 1.002 57 G CA 0.234 45.292 45.100 -0.068 0.000 0.702 57 G HN 0.343 nan 8.290 nan 0.000 0.515 58 Y N -0.942 119.348 120.300 -0.016 0.000 2.352 58 Y HA 0.332 4.881 4.550 -0.001 0.000 0.292 58 Y C 1.439 176.992 175.900 -0.579 0.000 1.136 58 Y CA 1.230 59.213 58.100 -0.194 0.000 1.227 58 Y CB 0.014 38.367 38.460 -0.178 0.000 0.991 58 Y HN 0.343 nan 8.280 nan 0.000 0.545 59 F N -1.222 118.570 119.950 -0.262 0.000 2.561 59 F HA 0.354 4.880 4.527 -0.001 0.000 0.321 59 F C 0.377 175.778 175.800 -0.666 0.000 1.065 59 F CA -1.916 55.724 58.000 -0.600 0.000 0.934 59 F CB 0.945 39.655 39.000 -0.483 0.000 1.215 59 F HN -0.391 nan 8.300 nan 0.000 0.471 60 S N 1.859 117.102 115.700 -0.762 0.000 2.537 60 S HA 0.144 4.613 4.470 -0.001 0.000 0.286 60 S C -1.980 172.487 174.600 -0.221 0.000 1.299 60 S CA -0.894 56.967 58.200 -0.564 0.000 1.067 60 S CB 0.844 63.687 63.200 -0.595 0.000 0.864 60 S HN 0.404 nan 8.310 nan 0.000 0.494 61 P HA -0.064 nan 4.420 nan 0.000 0.216 61 P C 0.621 177.883 177.300 -0.063 0.000 1.150 61 P CA 1.161 64.228 63.100 -0.054 0.000 0.837 61 P CB 0.033 31.726 31.700 -0.011 0.000 0.786 62 D N -0.760 119.591 120.400 -0.082 0.000 2.183 62 D HA -0.089 4.551 4.640 -0.001 0.000 0.205 62 D C 1.697 177.956 176.300 -0.068 0.000 0.962 62 D CA 1.070 55.033 54.000 -0.062 0.000 0.849 62 D CB -0.134 40.629 40.800 -0.062 0.000 0.978 62 D HN 0.390 nan 8.370 nan 0.000 0.488 63 E N -0.848 119.251 120.200 -0.167 0.000 2.541 63 E HA 0.191 4.540 4.350 -0.001 0.000 0.219 63 E C 1.193 177.738 176.600 -0.091 0.000 0.922 63 E CA 0.656 56.967 56.400 -0.148 0.000 1.095 63 E CB 0.386 29.774 29.700 -0.520 0.000 1.112 63 E HN 0.102 nan 8.360 nan 0.000 0.516 64 G N 2.219 110.931 108.800 -0.145 0.000 2.160 64 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.244 64 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.244 64 G C 0.083 174.950 174.900 -0.055 0.000 1.022 64 G CA 0.367 45.400 45.100 -0.112 0.000 0.741 64 G HN 0.305 nan 8.290 nan 0.000 0.508 65 I N 2.362 122.793 120.570 -0.232 0.000 2.441 65 I HA 0.278 4.447 4.170 -0.001 0.000 0.287 65 I C -1.516 174.194 176.117 -0.679 0.000 1.049 65 I CA -2.281 58.808 61.300 -0.352 0.000 1.381 65 I CB 1.244 39.018 38.000 -0.377 0.000 1.409 65 I HN -0.066 nan 8.210 nan 0.000 0.523 66 P HA 0.094 nan 4.420 nan 0.000 0.282 66 P C -1.109 175.582 177.300 -1.015 0.000 1.274 66 P CA -0.065 62.143 63.100 -1.487 0.000 0.770 66 P CB 0.261 30.720 31.700 -2.069 0.000 0.867 67 Y N 1.315 121.188 120.300 -0.712 0.000 2.330 67 Y HA 0.012 4.562 4.550 -0.001 0.000 0.341 67 Y C 2.491 178.222 175.900 -0.281 0.000 1.278 67 Y CA 0.350 58.185 58.100 -0.442 0.000 1.453 67 Y CB -0.202 37.973 38.460 -0.475 0.000 1.342 67 Y HN 0.502 nan 8.280 nan 0.000 0.590 68 H N 0.104 119.175 119.070 0.001 0.000 2.319 68 H HA -0.036 4.519 4.556 -0.001 0.000 0.299 68 H C -0.017 175.339 175.328 0.047 0.000 1.092 68 H CA 1.374 57.441 56.048 0.032 0.000 1.302 68 H CB 0.195 29.953 29.762 -0.006 0.000 1.373 68 H HN 0.499 nan 8.280 nan 0.000 0.497 69 S N -2.209 113.493 115.700 0.004 0.000 2.596 69 S HA 0.249 4.718 4.470 -0.001 0.000 0.270 69 S C 0.891 175.474 174.600 -0.029 0.000 1.155 69 S CA -0.420 57.746 58.200 -0.056 0.000 0.827 69 S CB 0.595 63.702 63.200 -0.155 0.000 1.130 69 S HN 0.180 nan 8.310 nan 0.000 0.467 70 I N 0.624 121.136 120.570 -0.096 0.000 2.163 70 I HA -0.148 4.021 4.170 -0.001 0.000 0.243 70 I C 0.600 176.629 176.117 -0.146 0.000 1.085 70 I CA 1.400 62.601 61.300 -0.166 0.000 1.347 70 I CB -0.369 37.392 38.000 -0.399 0.000 1.044 70 I HN 0.660 nan 8.210 nan 0.000 0.408 71 E N 0.624 120.740 120.200 -0.140 0.000 2.373 71 E HA 0.008 4.357 4.350 -0.001 0.000 0.267 71 E C 1.203 177.569 176.600 -0.389 0.000 1.032 71 E CA 0.352 56.620 56.400 -0.219 0.000 0.889 71 E CB 0.617 30.290 29.700 -0.045 0.000 0.984 71 E HN 0.243 nan 8.360 nan 0.000 0.425 72 T N 0.030 114.263 114.554 -0.535 0.000 2.976 72 T HA -0.003 4.346 4.350 -0.001 0.000 0.257 72 T C 0.779 175.255 174.700 -0.375 0.000 1.051 72 T CA -0.194 61.415 62.100 -0.820 0.000 1.141 72 T CB 0.135 68.505 68.868 -0.831 0.000 0.881 72 T HN 0.210 nan 8.240 nan 0.000 0.461 73 L N 2.213 123.434 121.223 -0.004 0.000 2.334 73 L HA 0.704 5.043 4.340 -0.001 0.000 0.286 73 L C -0.791 176.219 176.870 0.233 0.000 1.108 73 L CA -1.690 53.306 54.840 0.259 0.000 0.875 73 L CB -0.804 41.411 42.059 0.259 0.000 1.246 73 L HN 0.455 nan 8.230 nan 0.000 0.439 74 I N 4.556 125.214 120.570 0.145 0.000 2.753 74 I HA 0.482 4.652 4.170 -0.001 0.000 0.291 74 I C -1.722 174.385 176.117 -0.017 0.000 1.425 74 I CA -0.414 60.929 61.300 0.071 0.000 1.039 74 I CB 2.238 40.044 38.000 -0.324 0.000 1.349 74 I HN 0.186 nan 8.210 nan 0.000 0.430 75 V N 7.181 127.083 119.914 -0.019 0.000 2.524 75 V HA 0.678 4.797 4.120 -0.001 0.000 0.297 75 V C -0.872 175.109 176.094 -0.189 0.000 1.035 75 V CA -0.276 61.842 62.300 -0.304 0.000 0.867 75 V CB 1.643 32.891 31.823 -0.958 0.000 1.004 75 V HN 0.833 nan 8.190 nan 0.000 0.426 76 E N 3.962 124.034 120.200 -0.212 0.000 2.398 76 E HA 0.592 4.941 4.350 -0.001 0.000 0.280 76 E C 0.453 177.009 176.600 -0.073 0.000 1.122 76 E CA -0.347 55.989 56.400 -0.106 0.000 0.873 76 E CB 1.302 30.988 29.700 -0.023 0.000 1.294 76 E HN 1.054 nan 8.360 nan 0.000 0.435 77 A N 0.744 123.576 122.820 0.020 0.000 2.042 77 A HA -0.251 4.068 4.320 -0.001 0.000 0.322 77 A C -1.379 176.392 177.584 0.311 0.000 4.743 77 A CA 2.535 54.686 52.037 0.190 0.000 1.021 77 A CB -3.248 15.846 19.000 0.157 0.000 0.497 77 A HN 0.743 nan 8.150 nan 0.000 0.441 78 P HA 0.289 nan 4.420 nan 0.000 0.272 78 P C -0.789 176.456 177.300 -0.092 0.000 1.223 78 P CA 0.638 63.718 63.100 -0.035 0.000 0.784 78 P CB 0.451 31.967 31.700 -0.307 0.000 0.923 79 D N -0.250 120.147 120.400 -0.005 0.000 2.462 79 D HA 0.124 4.763 4.640 -0.001 0.000 0.221 79 D C -0.538 175.884 176.300 0.202 0.000 1.173 79 D CA -0.347 53.677 54.000 0.040 0.000 0.831 79 D CB -0.503 40.368 40.800 0.118 0.000 1.001 79 D HN 0.300 nan 8.370 nan 0.000 0.499 80 Y N -0.762 119.483 120.300 -0.092 0.000 2.480 80 Y HA 0.481 5.030 4.550 -0.001 0.000 0.329 80 Y C 0.943 176.703 175.900 -0.232 0.000 1.127 80 Y CA -0.942 57.014 58.100 -0.240 0.000 1.037 80 Y CB 1.711 39.869 38.460 -0.504 0.000 1.320 80 Y HN -0.160 nan 8.280 nan 0.000 0.446 81 G N 1.879 110.117 108.800 -0.935 0.000 2.484 81 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.218 81 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.218 81 G C 0.563 175.186 174.900 -0.461 0.000 1.130 81 G CA 0.562 45.314 45.100 -0.580 0.000 0.784 81 G HN 0.819 nan 8.290 nan 0.000 0.543 82 H N -0.469 117.910 119.070 -1.151 0.000 2.486 82 H HA 0.258 4.813 4.556 -0.001 0.000 0.284 82 H C 0.850 176.141 175.328 -0.063 0.000 1.103 82 H CA -0.739 54.888 56.048 -0.702 0.000 1.089 82 H CB 0.735 29.925 29.762 -0.953 0.000 1.603 82 H HN 0.241 nan 8.280 nan 0.000 0.557 83 V N -0.512 119.465 119.914 0.105 0.000 3.376 83 V HA 0.200 4.319 4.120 -0.001 0.000 0.303 83 V C 0.568 176.718 176.094 0.093 0.000 1.100 83 V CA -0.217 62.157 62.300 0.123 0.000 1.126 83 V CB 1.747 33.593 31.823 0.039 0.000 1.085 83 V HN 0.090 nan 8.190 nan 0.000 0.480 84 T N 1.240 115.818 114.554 0.040 0.000 2.942 84 T HA 0.774 5.123 4.350 -0.001 0.000 0.289 84 T C -0.267 174.454 174.700 0.034 0.000 1.044 84 T CA 0.245 62.355 62.100 0.018 0.000 1.023 84 T CB 1.469 70.330 68.868 -0.011 0.000 1.123 84 T HN 1.440 nan 8.240 nan 0.000 0.512 85 T N -0.875 113.747 114.554 0.113 0.000 2.901 85 T HA 0.444 4.793 4.350 -0.001 0.000 0.293 85 T C 1.376 176.254 174.700 0.297 0.000 1.084 85 T CA -0.112 62.072 62.100 0.139 0.000 1.008 85 T CB 1.303 70.297 68.868 0.210 0.000 1.170 85 T HN 0.548 nan 8.240 nan 0.000 0.509 86 S N -0.041 115.818 115.700 0.266 0.000 2.402 86 S HA -0.160 4.309 4.470 -0.001 0.000 0.229 86 S C 1.664 176.423 174.600 0.265 0.000 1.021 86 S CA 1.127 59.481 58.200 0.257 0.000 0.974 86 S CB -0.730 62.550 63.200 0.133 0.000 0.800 86 S HN 0.859 nan 8.310 nan 0.000 0.484 87 E N 2.118 122.463 120.200 0.242 0.000 2.048 87 E HA -0.247 4.102 4.350 -0.001 0.000 0.202 87 E C 2.217 179.058 176.600 0.402 0.000 1.021 87 E CA 1.405 57.947 56.400 0.237 0.000 0.825 87 E CB -0.589 29.247 29.700 0.227 0.000 0.756 87 E HN 0.637 nan 8.360 nan 0.000 0.454 88 A N 0.101 123.150 122.820 0.381 0.000 1.940 88 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 88 A C 1.995 179.789 177.584 0.349 0.000 1.176 88 A CA 1.494 53.755 52.037 0.373 0.000 0.631 88 A CB -0.956 18.075 19.000 0.051 0.000 0.814 88 A HN 0.406 nan 8.150 nan 0.000 0.446 89 F N 1.127 121.227 119.950 0.251 0.000 2.146 89 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 89 F C 3.011 178.977 175.800 0.277 0.000 1.096 89 F CA 1.766 59.922 58.000 0.260 0.000 1.275 89 F CB -0.194 38.858 39.000 0.087 0.000 1.008 89 F HN 0.374 nan 8.300 nan 0.000 0.480 90 S N -0.731 115.193 115.700 0.373 0.000 2.368 90 S HA -0.279 4.190 4.470 -0.001 0.000 0.225 90 S C 1.861 176.627 174.600 0.278 0.000 1.030 90 S CA 1.281 59.599 58.200 0.196 0.000 0.999 90 S CB -1.312 61.880 63.200 -0.013 0.000 0.844 90 S HN 0.387 nan 8.310 nan 0.000 0.459 91 Y N 0.503 121.063 120.300 0.433 0.000 2.224 91 Y HA -0.073 4.476 4.550 -0.001 0.000 0.289 91 Y C 2.607 178.909 175.900 0.669 0.000 1.146 91 Y CA 1.353 59.783 58.100 0.551 0.000 1.182 91 Y CB -0.711 38.033 38.460 0.474 0.000 0.983 91 Y HN 0.374 nan 8.280 nan 0.000 0.524 92 Y N 0.078 120.812 120.300 0.724 0.000 2.200 92 Y HA -0.193 4.357 4.550 -0.001 0.000 0.290 92 Y C 2.216 178.455 175.900 0.564 0.000 1.137 92 Y CA 1.040 59.545 58.100 0.674 0.000 1.163 92 Y CB -0.834 37.901 38.460 0.458 0.000 0.988 92 Y HN -0.067 nan 8.280 nan 0.000 0.518 93 V N -0.911 119.292 119.914 0.483 0.000 2.295 93 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 93 V C 2.210 178.642 176.094 0.563 0.000 1.049 93 V CA 1.837 64.380 62.300 0.405 0.000 1.024 93 V CB -1.077 30.987 31.823 0.403 0.000 0.648 93 V HN 0.548 nan 8.190 nan 0.000 0.447 94 W N 0.419 121.937 121.300 0.362 0.000 2.318 94 W HA -0.214 4.445 4.660 -0.001 0.000 0.313 94 W C 2.349 179.123 176.519 0.425 0.000 1.221 94 W CA 1.921 59.477 57.345 0.351 0.000 1.266 94 W CB -0.947 28.651 29.460 0.231 0.000 1.150 94 W HN 0.258 nan 8.180 nan 0.000 0.496 95 L N 1.269 122.894 121.223 0.670 0.000 2.012 95 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 95 L C 2.382 179.645 176.870 0.655 0.000 1.073 95 L CA 2.245 57.445 54.840 0.601 0.000 0.748 95 L CB -0.975 41.425 42.059 0.567 0.000 0.891 95 L HN -0.160 nan 8.230 nan 0.000 0.431 96 E N -0.085 120.494 120.200 0.631 0.000 2.106 96 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 96 E C 2.225 179.115 176.600 0.484 0.000 0.984 96 E CA 1.151 57.882 56.400 0.550 0.000 0.806 96 E CB -0.547 29.426 29.700 0.455 0.000 0.750 96 E HN 0.632 nan 8.360 nan 0.000 0.458 97 A N 1.491 124.665 122.820 0.590 0.000 1.873 97 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 97 A C 2.257 180.197 177.584 0.592 0.000 1.193 97 A CA 2.316 54.795 52.037 0.738 0.000 0.629 97 A CB -0.530 18.978 19.000 0.846 0.000 0.826 97 A HN 0.228 nan 8.150 nan 0.000 0.447 98 M N -2.042 117.818 119.600 0.434 0.000 2.117 98 M HA -0.099 4.380 4.480 -0.001 0.000 0.262 98 M C 1.940 178.077 176.300 -0.271 0.000 1.065 98 M CA 1.761 57.023 55.300 -0.064 0.000 1.114 98 M CB -0.774 31.676 32.600 -0.250 0.000 1.361 98 M HN 0.508 nan 8.290 nan 0.000 0.408 99 Y N 0.213 120.459 120.300 -0.090 0.000 2.128 99 Y HA -0.101 4.448 4.550 -0.001 0.000 0.284 99 Y C 2.138 177.747 175.900 -0.486 0.000 1.154 99 Y CA 2.058 60.015 58.100 -0.237 0.000 1.149 99 Y CB -1.071 37.138 38.460 -0.418 0.000 0.976 99 Y HN 0.288 nan 8.280 nan 0.000 0.505 100 G N -0.043 108.333 108.800 -0.708 0.000 2.446 100 G HA2 -0.419 3.541 3.960 -0.001 0.000 0.217 100 G HA3 -0.419 3.541 3.960 -0.001 0.000 0.217 100 G C 1.655 175.783 174.900 -1.287 0.000 1.168 100 G CA 1.043 45.093 45.100 -1.750 0.000 0.771 100 G HN 0.594 nan 8.290 nan 0.000 0.551 101 N N 0.096 118.400 118.700 -0.659 0.000 2.061 101 N HA -0.081 4.658 4.740 -0.001 0.000 0.193 101 N C 2.146 177.358 175.510 -0.496 0.000 1.030 101 N CA 0.976 53.787 53.050 -0.399 0.000 0.856 101 N CB -0.201 37.716 38.487 -0.950 0.000 1.023 101 N HN 0.340 nan 8.380 nan 0.000 0.424 102 L N -0.909 119.959 121.223 -0.592 0.000 2.554 102 L HA 0.027 4.366 4.340 -0.001 0.000 0.226 102 L C 1.707 178.319 176.870 -0.428 0.000 1.137 102 L CA 0.572 55.120 54.840 -0.487 0.000 0.863 102 L CB 0.180 41.951 42.059 -0.479 0.000 0.985 102 L HN 0.249 nan 8.230 nan 0.000 0.451 103 T N -2.028 112.195 114.554 -0.552 0.000 3.048 103 T HA 0.226 4.575 4.350 -0.001 0.000 0.254 103 T C 1.228 175.680 174.700 -0.414 0.000 0.942 103 T CA 0.759 62.524 62.100 -0.559 0.000 0.931 103 T CB 0.676 68.913 68.868 -1.051 0.000 1.220 103 T HN 0.397 nan 8.240 nan 0.000 0.503 104 G N 2.142 110.678 108.800 -0.440 0.000 2.199 104 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 104 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 104 G C 0.091 174.833 174.900 -0.263 0.000 0.982 104 G CA 0.305 45.273 45.100 -0.221 0.000 0.632 104 G HN 0.648 nan 8.290 nan 0.000 0.529 105 N N -0.298 118.140 118.700 -0.437 0.000 2.437 105 N HA 0.395 5.134 4.740 -0.001 0.000 0.243 105 N C 0.669 176.020 175.510 -0.265 0.000 1.041 105 N CA -0.830 52.095 53.050 -0.208 0.000 0.940 105 N CB 0.214 38.670 38.487 -0.051 0.000 1.133 105 N HN 0.342 nan 8.380 nan 0.000 0.506 106 W N 1.923 123.285 121.300 0.102 0.000 3.278 106 W HA 0.081 4.740 4.660 -0.001 0.000 0.308 106 W C 2.333 178.948 176.519 0.160 0.000 1.253 106 W CA -0.373 57.055 57.345 0.138 0.000 1.759 106 W CB 0.309 29.829 29.460 0.101 0.000 1.093 106 W HN 0.598 nan 8.180 nan 0.000 0.648 107 S N -0.578 115.301 115.700 0.297 0.000 2.399 107 S HA -0.113 4.356 4.470 -0.001 0.000 0.231 107 S C 2.118 176.865 174.600 0.245 0.000 1.022 107 S CA 1.402 59.748 58.200 0.243 0.000 0.983 107 S CB -1.001 62.309 63.200 0.184 0.000 0.803 107 S HN 0.253 nan 8.310 nan 0.000 0.480 108 G N 1.296 110.258 108.800 0.270 0.000 2.450 108 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.220 108 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.220 108 G C 1.399 176.457 174.900 0.263 0.000 1.130 108 G CA 0.990 46.252 45.100 0.270 0.000 0.760 108 G HN 0.496 nan 8.290 nan 0.000 0.557 109 V N 0.413 120.525 119.914 0.330 0.000 2.358 109 V HA -0.150 3.969 4.120 -0.001 0.000 0.246 109 V C 2.656 178.919 176.094 0.281 0.000 1.047 109 V CA 2.033 64.538 62.300 0.342 0.000 1.035 109 V CB -0.383 31.719 31.823 0.466 0.000 0.658 109 V HN 0.441 nan 8.190 nan 0.000 0.452 110 E N -0.077 120.273 120.200 0.251 0.000 2.051 110 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 110 E C 2.320 179.049 176.600 0.215 0.000 0.991 110 E CA 1.876 58.404 56.400 0.213 0.000 0.799 110 E CB -0.255 29.546 29.700 0.168 0.000 0.748 110 E HN 0.599 nan 8.360 nan 0.000 0.449 111 T N 1.108 115.775 114.554 0.188 0.000 2.652 111 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 111 T C 2.011 176.803 174.700 0.153 0.000 1.039 111 T CA 1.488 63.692 62.100 0.173 0.000 1.153 111 T CB -0.368 68.601 68.868 0.168 0.000 0.863 111 T HN 0.267 nan 8.240 nan 0.000 0.428 112 A N 1.047 123.871 122.820 0.007 0.000 1.892 112 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 112 A C 2.179 179.791 177.584 0.047 0.000 1.188 112 A CA 1.613 53.450 52.037 -0.333 0.000 0.631 112 A CB -1.065 17.507 19.000 -0.713 0.000 0.822 112 A HN 0.734 nan 8.150 nan 0.000 0.447 113 W N 0.534 121.848 121.300 0.023 0.000 2.518 113 W HA -0.029 4.630 4.660 -0.001 0.000 0.273 113 W C 2.067 178.633 176.519 0.078 0.000 1.247 113 W CA 1.531 58.916 57.345 0.067 0.000 1.288 113 W CB -0.156 29.351 29.460 0.078 0.000 1.107 113 W HN 0.385 nan 8.180 nan 0.000 0.586 114 K N 0.321 120.896 120.400 0.292 0.000 2.026 114 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 114 K C 1.807 178.506 176.600 0.164 0.000 1.048 114 K CA 1.822 58.232 56.287 0.206 0.000 0.929 114 K CB -0.435 32.175 32.500 0.184 0.000 0.713 114 K HN -0.068 nan 8.250 nan 0.000 0.439 115 V N 1.885 121.948 119.914 0.249 0.000 2.295 115 V HA -0.312 3.808 4.120 -0.001 0.000 0.246 115 V C 2.477 178.748 176.094 0.294 0.000 1.049 115 V CA 1.994 64.540 62.300 0.410 0.000 1.024 115 V CB -0.427 31.736 31.823 0.566 0.000 0.648 115 V HN 0.476 nan 8.190 nan 0.000 0.447 116 M N 0.574 120.195 119.600 0.035 0.000 2.073 116 M HA -0.286 4.193 4.480 -0.001 0.000 0.258 116 M C 2.326 178.374 176.300 -0.419 0.000 1.070 116 M CA 2.709 57.682 55.300 -0.546 0.000 1.103 116 M CB -0.260 31.886 32.600 -0.757 0.000 1.321 116 M HN 0.644 nan 8.290 nan 0.000 0.405 117 E N -1.274 118.771 120.200 -0.257 0.000 2.216 117 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 117 E C 1.202 177.702 176.600 -0.166 0.000 0.988 117 E CA 1.088 57.381 56.400 -0.178 0.000 0.834 117 E CB -0.365 29.338 29.700 0.007 0.000 0.772 117 E HN 0.474 nan 8.360 nan 0.000 0.479 118 D N -0.204 120.089 120.400 -0.179 0.000 2.264 118 D HA -0.103 4.536 4.640 -0.001 0.000 0.208 118 D C 0.698 176.543 176.300 -0.758 0.000 0.966 118 D CA 1.011 54.742 54.000 -0.450 0.000 0.864 118 D CB 0.000 40.532 40.800 -0.448 0.000 0.933 118 D HN 0.421 nan 8.370 nan 0.000 0.499 119 W N -0.941 120.307 121.300 -0.086 0.000 4.168 119 W HA 0.346 5.005 4.660 -0.001 0.000 0.211 119 W C 1.830 178.287 176.519 -0.103 0.000 1.002 119 W CA -0.448 56.837 57.345 -0.099 0.000 1.903 119 W CB -0.135 29.299 29.460 -0.043 0.000 0.828 119 W HN -0.269 nan 8.180 nan 0.000 0.876 120 I N 0.360 120.927 120.570 -0.004 0.000 3.462 120 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 120 I C 0.254 176.369 176.117 -0.003 0.000 1.236 120 I CA 0.402 61.717 61.300 0.025 0.000 1.418 120 I CB 0.348 38.148 38.000 -0.333 0.000 1.102 120 I HN -0.291 nan 8.210 nan 0.000 0.441 121 I N 3.332 123.787 120.570 -0.192 0.000 2.325 121 I HA 0.224 4.393 4.170 -0.001 0.000 0.291 121 I C -2.140 173.845 176.117 -0.219 0.000 1.019 121 I CA -1.952 59.176 61.300 -0.287 0.000 1.302 121 I CB 0.467 38.175 38.000 -0.486 0.000 1.401 121 I HN -0.076 nan 8.210 nan 0.000 0.485 122 P HA -0.008 nan 4.420 nan 0.000 0.261 122 P C -0.955 176.189 177.300 -0.261 0.000 1.203 122 P CA -0.134 62.674 63.100 -0.487 0.000 0.767 122 P CB 0.129 31.223 31.700 -1.009 0.000 0.785 123 D N 1.141 121.436 120.400 -0.174 0.000 2.447 123 D HA 0.019 4.658 4.640 -0.001 0.000 0.265 123 D C 1.205 177.427 176.300 -0.130 0.000 1.250 123 D CA -0.449 53.479 54.000 -0.121 0.000 1.046 123 D CB -0.250 40.494 40.800 -0.093 0.000 1.095 123 D HN 0.220 nan 8.370 nan 0.000 0.555 124 S N -1.159 114.490 115.700 -0.085 0.000 2.380 124 S HA -0.245 4.224 4.470 -0.001 0.000 0.229 124 S C 1.744 176.278 174.600 -0.109 0.000 1.043 124 S CA 1.702 59.856 58.200 -0.076 0.000 1.038 124 S CB -1.427 61.751 63.200 -0.037 0.000 0.872 124 S HN 0.617 nan 8.310 nan 0.000 0.456 125 T N 1.621 116.112 114.554 -0.105 0.000 3.113 125 T HA 0.098 4.447 4.350 -0.001 0.000 0.263 125 T C 1.103 175.707 174.700 -0.160 0.000 1.143 125 T CA 1.034 63.072 62.100 -0.104 0.000 1.090 125 T CB -0.202 68.623 68.868 -0.071 0.000 0.922 125 T HN 0.640 nan 8.240 nan 0.000 0.521 126 E N 0.340 120.400 120.200 -0.233 0.000 2.562 126 E HA 0.126 4.475 4.350 -0.001 0.000 0.214 126 E C 0.428 176.605 176.600 -0.705 0.000 0.979 126 E CA 0.021 56.234 56.400 -0.312 0.000 1.002 126 E CB 0.569 30.171 29.700 -0.164 0.000 1.048 126 E HN 0.446 nan 8.360 nan 0.000 0.488 127 Q N 1.525 120.878 119.800 -0.746 0.000 2.470 127 Q HA 0.198 4.537 4.340 -0.001 0.000 0.389 127 Q C -2.524 173.155 176.000 -0.534 0.000 0.888 127 Q CA -1.726 53.326 55.803 -1.252 0.000 1.106 127 Q CB 0.743 29.167 28.738 -0.524 0.000 1.368 127 Q HN 0.024 nan 8.270 nan 0.000 0.403 128 P HA -0.069 nan 4.420 nan 0.000 0.262 128 P C 0.826 178.260 177.300 0.223 0.000 1.182 128 P CA 1.223 64.333 63.100 0.016 0.000 0.761 128 P CB 0.629 32.353 31.700 0.040 0.000 0.795 129 G N 3.356 112.248 108.800 0.153 0.000 2.273 129 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.280 129 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.280 129 G C 0.652 175.696 174.900 0.239 0.000 1.047 129 G CA 0.449 45.650 45.100 0.167 0.000 0.869 129 G HN 0.496 nan 8.290 nan 0.000 0.502 130 M N 1.197 120.977 119.600 0.299 0.000 2.296 130 M HA 0.008 4.488 4.480 -0.001 0.000 0.265 130 M C 2.551 179.024 176.300 0.288 0.000 1.064 130 M CA 2.328 57.837 55.300 0.349 0.000 1.109 130 M CB -0.406 32.415 32.600 0.368 0.000 1.396 130 M HN 0.692 nan 8.290 nan 0.000 0.430 131 S N -1.362 114.475 115.700 0.229 0.000 2.440 131 S HA -0.127 4.342 4.470 -0.001 0.000 0.240 131 S C 1.751 176.472 174.600 0.203 0.000 1.014 131 S CA 1.531 59.856 58.200 0.209 0.000 0.980 131 S CB -0.898 62.392 63.200 0.150 0.000 0.775 131 S HN 0.558 nan 8.310 nan 0.000 0.499 132 S N 0.072 115.895 115.700 0.205 0.000 2.575 132 S HA 0.212 4.682 4.470 -0.001 0.000 0.215 132 S C 0.248 174.958 174.600 0.185 0.000 0.966 132 S CA -0.586 57.723 58.200 0.180 0.000 0.911 132 S CB -0.371 62.940 63.200 0.185 0.000 0.780 132 S HN 0.664 nan 8.310 nan 0.000 0.514 133 Y N 3.855 124.205 120.300 0.084 0.000 2.717 133 Y HA 0.156 4.705 4.550 -0.001 0.000 0.330 133 Y C 0.097 175.968 175.900 -0.049 0.000 1.217 133 Y CA -0.340 57.764 58.100 0.007 0.000 1.506 133 Y CB 0.150 38.536 38.460 -0.124 0.000 1.268 133 Y HN 0.005 nan 8.280 nan 0.000 0.561 134 N N 7.778 125.984 118.700 -0.823 0.000 2.476 134 N HA 0.364 5.103 4.740 -0.001 0.000 0.257 134 N C -2.361 172.579 175.510 -0.950 0.000 0.970 134 N CA -2.635 50.028 53.050 -0.645 0.000 0.938 134 N CB 1.826 40.138 38.487 -0.292 0.000 1.144 134 N HN 0.298 nan 8.380 nan 0.000 0.500 135 P HA -0.065 nan 4.420 nan 0.000 0.219 135 P C 0.547 177.630 177.300 -0.362 0.000 1.146 135 P CA 1.023 63.870 63.100 -0.422 0.000 0.808 135 P CB 0.374 31.976 31.700 -0.163 0.000 0.779 136 N N -1.547 116.985 118.700 -0.279 0.000 2.416 136 N HA 0.012 4.751 4.740 -0.001 0.000 0.177 136 N C 0.249 175.647 175.510 -0.186 0.000 1.036 136 N CA 0.864 53.789 53.050 -0.207 0.000 0.901 136 N CB 0.032 38.436 38.487 -0.139 0.000 0.976 136 N HN -0.032 nan 8.380 nan 0.000 0.444 137 S N 0.577 116.151 115.700 -0.210 0.000 2.204 137 S HA 0.312 4.782 4.470 -0.001 0.000 0.147 137 S C -1.932 172.598 174.600 -0.117 0.000 1.711 137 S CA -1.104 57.022 58.200 -0.123 0.000 1.274 137 S CB 1.268 64.428 63.200 -0.066 0.000 1.257 137 S HN -0.002 nan 8.310 nan 0.000 0.404 138 P HA 0.080 nan 4.420 nan 0.000 0.215 138 P C 0.245 177.782 177.300 0.394 0.000 1.153 138 P CA 0.865 64.020 63.100 0.093 0.000 0.853 138 P CB 0.310 32.105 31.700 0.159 0.000 0.788 139 A N -3.031 120.004 122.820 0.359 0.000 2.564 139 A HA 0.574 4.894 4.320 -0.001 0.000 0.291 139 A C -1.202 176.487 177.584 0.175 0.000 1.102 139 A CA -0.452 51.824 52.037 0.399 0.000 0.660 139 A CB 0.409 19.789 19.000 0.633 0.000 1.283 139 A HN -0.171 nan 8.150 nan 0.000 0.430 140 T N 1.324 115.870 114.554 -0.013 0.000 2.743 140 T HA 0.461 4.810 4.350 -0.001 0.000 0.292 140 T C -0.385 174.056 174.700 -0.433 0.000 0.972 140 T CA 0.089 62.004 62.100 -0.308 0.000 0.967 140 T CB 0.274 68.741 68.868 -0.668 0.000 0.926 140 T HN 0.562 nan 8.240 nan 0.000 0.459 141 Y N 3.044 122.922 120.300 -0.703 0.000 2.702 141 Y HA 0.348 4.897 4.550 -0.001 0.000 0.336 141 Y C -0.006 175.552 175.900 -0.570 0.000 1.235 141 Y CA -0.115 57.354 58.100 -1.051 0.000 1.492 141 Y CB 0.195 38.211 38.460 -0.741 0.000 1.308 141 Y HN 0.784 nan 8.280 nan 0.000 0.589 142 A N 5.822 127.768 122.820 -1.457 0.000 2.547 142 A HA 0.353 4.672 4.320 -0.001 0.000 0.297 142 A C -1.339 175.640 177.584 -1.007 0.000 1.056 142 A CA -1.012 50.501 52.037 -0.875 0.000 0.688 142 A CB 0.946 19.731 19.000 -0.359 0.000 1.282 142 A HN 0.765 nan 8.150 nan 0.000 0.400 143 D N 1.303 121.307 120.400 -0.660 0.000 2.357 143 D HA 0.293 4.932 4.640 -0.001 0.000 0.242 143 D C -0.216 175.665 176.300 -0.697 0.000 1.153 143 D CA 0.392 54.037 54.000 -0.593 0.000 0.918 143 D CB 1.033 41.455 40.800 -0.629 0.000 1.181 143 D HN 0.585 nan 8.370 nan 0.000 0.435 144 E N -0.193 119.659 120.200 -0.579 0.000 2.207 144 E HA 0.429 4.778 4.350 -0.001 0.000 0.270 144 E C -1.037 175.217 176.600 -0.575 0.000 0.927 144 E CA -0.622 55.538 56.400 -0.399 0.000 0.799 144 E CB 1.476 31.105 29.700 -0.118 0.000 1.172 144 E HN 0.341 nan 8.360 nan 0.000 0.404 145 Y N 0.087 120.376 120.300 -0.018 0.000 2.570 145 Y HA 0.205 4.754 4.550 -0.001 0.000 0.345 145 Y C 0.582 176.445 175.900 -0.061 0.000 1.014 145 Y CA -0.912 57.082 58.100 -0.177 0.000 1.063 145 Y CB 1.388 39.609 38.460 -0.398 0.000 1.272 145 Y HN 0.469 nan 8.280 nan 0.000 0.477 146 E N 0.199 120.375 120.200 -0.039 0.000 2.512 146 E HA -0.003 4.346 4.350 -0.001 0.000 0.195 146 E C -0.744 175.916 176.600 0.100 0.000 1.083 146 E CA 0.640 57.030 56.400 -0.016 0.000 0.873 146 E CB 0.237 29.896 29.700 -0.068 0.000 0.897 146 E HN 0.347 nan 8.360 nan 0.000 0.514 147 D N -1.883 118.661 120.400 0.240 0.000 2.803 147 D HA 0.085 4.725 4.640 -0.001 0.000 0.218 147 D C -2.321 174.192 176.300 0.354 0.000 1.245 147 D CA -1.851 52.322 54.000 0.288 0.000 0.821 147 D CB 1.964 42.961 40.800 0.329 0.000 1.626 147 D HN -0.306 nan 8.370 nan 0.000 0.487 148 P HA -0.121 nan 4.420 nan 0.000 0.221 148 P C 1.318 178.623 177.300 0.009 0.000 1.145 148 P CA 1.053 64.237 63.100 0.140 0.000 0.795 148 P CB 0.228 31.992 31.700 0.106 0.000 0.775 149 S N -2.099 113.374 115.700 -0.378 0.000 2.402 149 S HA -0.193 4.276 4.470 -0.001 0.000 0.229 149 S C 1.738 176.014 174.600 -0.539 0.000 1.021 149 S CA 0.835 58.283 58.200 -1.252 0.000 0.974 149 S CB -1.806 60.763 63.200 -1.052 0.000 0.800 149 S HN 0.139 nan 8.310 nan 0.000 0.484 150 Y N 0.994 121.171 120.300 -0.205 0.000 2.651 150 Y HA 0.110 4.659 4.550 -0.001 0.000 0.296 150 Y C 0.432 176.195 175.900 -0.229 0.000 1.150 150 Y CA 0.251 58.174 58.100 -0.296 0.000 1.348 150 Y CB -0.580 37.567 38.460 -0.520 0.000 0.983 150 Y HN 0.268 nan 8.280 nan 0.000 0.555 151 Y N 0.818 121.192 120.300 0.124 0.000 2.419 151 Y HA 0.330 4.880 4.550 -0.001 0.000 0.328 151 Y C -1.907 174.107 175.900 0.190 0.000 1.162 151 Y CA -3.482 54.744 58.100 0.211 0.000 1.174 151 Y CB 0.468 39.091 38.460 0.271 0.000 1.228 151 Y HN -0.208 nan 8.280 nan 0.000 0.473 152 P HA 0.048 nan 4.420 nan 0.000 0.274 152 P C -0.568 176.831 177.300 0.165 0.000 1.231 152 P CA -0.292 62.983 63.100 0.291 0.000 0.790 152 P CB 1.388 33.204 31.700 0.193 0.000 0.951 153 S N 0.510 116.303 115.700 0.154 0.000 2.554 153 S HA 0.134 4.603 4.470 -0.001 0.000 0.278 153 S C -0.160 174.496 174.600 0.094 0.000 1.242 153 S CA -0.564 57.690 58.200 0.089 0.000 1.051 153 S CB 0.082 63.245 63.200 -0.062 0.000 0.986 153 S HN 0.402 nan 8.310 nan 0.000 0.502 154 E N 3.850 124.105 120.200 0.093 0.000 2.194 154 E HA 0.228 4.577 4.350 -0.001 0.000 0.284 154 E C -0.604 175.989 176.600 -0.011 0.000 1.035 154 E CA -0.353 56.087 56.400 0.066 0.000 0.836 154 E CB 0.542 30.296 29.700 0.090 0.000 1.070 154 E HN 0.600 nan 8.360 nan 0.000 0.401 155 L N 4.835 126.031 121.223 -0.044 0.000 2.455 155 L HA 0.087 4.426 4.340 -0.001 0.000 0.272 155 L C 0.529 177.302 176.870 -0.163 0.000 1.174 155 L CA 0.647 55.364 54.840 -0.205 0.000 0.869 155 L CB 0.318 42.205 42.059 -0.286 0.000 1.130 155 L HN 0.376 nan 8.230 nan 0.000 0.474 156 K N 4.519 124.772 120.400 -0.245 0.000 2.606 156 K HA 0.199 4.518 4.320 -0.001 0.000 0.196 156 K C 0.045 176.583 176.600 -0.103 0.000 1.048 156 K CA -0.295 55.958 56.287 -0.056 0.000 1.017 156 K CB 0.553 33.090 32.500 0.062 0.000 1.413 156 K HN 0.383 nan 8.250 nan 0.000 0.568 157 F N 0.656 120.578 119.950 -0.047 0.000 2.546 157 F HA -0.154 4.372 4.527 -0.001 0.000 0.298 157 F C 1.440 177.209 175.800 -0.052 0.000 1.120 157 F CA 0.437 58.403 58.000 -0.057 0.000 1.456 157 F CB -0.443 38.512 39.000 -0.074 0.000 1.088 157 F HN 0.317 nan 8.300 nan 0.000 0.572 158 D N 0.209 120.715 120.400 0.177 0.000 2.003 158 D HA -0.195 4.444 4.640 -0.001 0.000 0.251 158 D C 2.130 178.444 176.300 0.022 0.000 1.063 158 D CA 2.154 56.202 54.000 0.079 0.000 0.968 158 D CB -1.234 39.605 40.800 0.065 0.000 1.349 158 D HN 0.245 nan 8.370 nan 0.000 0.514 159 T N -1.998 112.551 114.554 -0.008 0.000 3.145 159 T HA 0.410 4.759 4.350 -0.001 0.000 0.255 159 T C 0.199 174.838 174.700 -0.103 0.000 1.039 159 T CA -0.189 61.883 62.100 -0.045 0.000 0.928 159 T CB -0.768 68.077 68.868 -0.038 0.000 1.029 159 T HN 0.263 nan 8.240 nan 0.000 0.554 160 V N 0.926 120.766 119.914 -0.124 0.000 2.326 160 V HA 0.907 5.026 4.120 -0.001 0.000 0.281 160 V C 0.359 176.359 176.094 -0.156 0.000 1.015 160 V CA -1.135 61.033 62.300 -0.220 0.000 0.823 160 V CB 0.617 32.191 31.823 -0.415 0.000 1.009 160 V HN 0.639 nan 8.190 nan 0.000 0.436 161 R N 3.695 124.112 120.500 -0.138 0.000 2.340 161 R HA 0.733 5.072 4.340 -0.001 0.000 0.300 161 R C -0.469 175.773 176.300 -0.096 0.000 1.069 161 R CA -0.006 56.036 56.100 -0.096 0.000 0.984 161 R CB 1.275 31.529 30.300 -0.077 0.000 1.003 161 R HN 1.198 nan 8.270 nan 0.000 0.459 162 V N 2.257 122.145 119.914 -0.044 0.000 2.630 162 V HA 0.713 4.832 4.120 -0.001 0.000 0.305 162 V C 1.288 177.401 176.094 0.032 0.000 1.046 162 V CA -0.191 62.126 62.300 0.027 0.000 0.934 162 V CB 2.013 33.886 31.823 0.083 0.000 1.003 162 V HN 1.163 nan 8.190 nan 0.000 0.451 163 G N 3.059 111.918 108.800 0.099 0.000 2.653 163 G HA2 0.375 4.334 3.960 -0.001 0.000 0.265 163 G HA3 0.375 4.334 3.960 -0.001 0.000 0.265 163 G C -0.054 174.787 174.900 -0.097 0.000 1.237 163 G CA -0.251 44.883 45.100 0.055 0.000 0.946 163 G HN 0.714 nan 8.290 nan 0.000 0.522 164 S N -0.788 114.791 115.700 -0.202 0.000 2.654 164 S HA 0.354 4.823 4.470 -0.001 0.000 0.283 164 S C -0.562 173.570 174.600 -0.781 0.000 1.180 164 S CA -0.488 57.468 58.200 -0.407 0.000 1.021 164 S CB 1.738 64.786 63.200 -0.253 0.000 1.018 164 S HN 0.645 nan 8.310 nan 0.000 0.532 165 D N 1.894 121.769 120.400 -0.876 0.000 2.443 165 D HA 0.297 4.936 4.640 -0.001 0.000 0.221 165 D C -1.639 174.369 176.300 -0.488 0.000 1.097 165 D CA -2.211 51.223 54.000 -0.943 0.000 0.865 165 D CB 1.065 41.435 40.800 -0.718 0.000 1.034 165 D HN 0.121 nan 8.370 nan 0.000 0.511 166 P HA 0.005 nan 4.420 nan 0.000 0.249 166 P C 0.879 177.998 177.300 -0.302 0.000 1.229 166 P CA 0.053 62.897 63.100 -0.427 0.000 0.788 166 P CB 0.867 32.157 31.700 -0.684 0.000 1.072 167 V N -1.348 118.410 119.914 -0.260 0.000 3.379 167 V HA -0.027 4.092 4.120 -0.001 0.000 0.249 167 V C 2.428 178.512 176.094 -0.016 0.000 1.184 167 V CA 0.640 62.896 62.300 -0.073 0.000 1.106 167 V CB -0.789 31.039 31.823 0.008 0.000 0.826 167 V HN 0.093 nan 8.190 nan 0.000 0.465 168 H N 1.412 120.443 119.070 -0.065 0.000 2.319 168 H HA -0.167 4.388 4.556 -0.001 0.000 0.299 168 H C 2.257 177.599 175.328 0.023 0.000 1.092 168 H CA 2.453 58.507 56.048 0.010 0.000 1.302 168 H CB 0.137 29.982 29.762 0.139 0.000 1.373 168 H HN 0.346 nan 8.280 nan 0.000 0.497 169 N N 0.363 119.094 118.700 0.052 0.000 2.043 169 N HA -0.169 4.570 4.740 -0.001 0.000 0.193 169 N C 1.732 177.204 175.510 -0.063 0.000 1.037 169 N CA 1.605 54.659 53.050 0.008 0.000 0.851 169 N CB -0.623 37.881 38.487 0.029 0.000 1.027 169 N HN 0.706 nan 8.380 nan 0.000 0.422 170 D N 0.969 121.336 120.400 -0.055 0.000 2.224 170 D HA -0.105 4.534 4.640 -0.001 0.000 0.205 170 D C 2.095 178.315 176.300 -0.133 0.000 0.965 170 D CA 0.344 54.297 54.000 -0.077 0.000 0.852 170 D CB -0.411 40.366 40.800 -0.038 0.000 0.947 170 D HN 0.248 nan 8.370 nan 0.000 0.494 171 L N 0.434 121.567 121.223 -0.151 0.000 1.976 171 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 171 L C 2.933 179.731 176.870 -0.119 0.000 1.071 171 L CA 1.007 55.740 54.840 -0.179 0.000 0.746 171 L CB -0.539 41.313 42.059 -0.344 0.000 0.890 171 L HN -0.052 nan 8.230 nan 0.000 0.432 172 V N -0.610 119.183 119.914 -0.202 0.000 2.282 172 V HA -0.368 3.751 4.120 -0.001 0.000 0.249 172 V C 2.769 178.817 176.094 -0.077 0.000 1.057 172 V CA 2.182 64.414 62.300 -0.113 0.000 1.032 172 V CB -0.579 31.169 31.823 -0.124 0.000 0.645 172 V HN 0.545 nan 8.190 nan 0.000 0.447 173 S N -0.362 115.273 115.700 -0.108 0.000 2.383 173 S HA -0.212 4.257 4.470 -0.001 0.000 0.229 173 S C 1.992 176.483 174.600 -0.183 0.000 1.030 173 S CA 1.880 60.014 58.200 -0.111 0.000 1.002 173 S CB -0.262 62.881 63.200 -0.096 0.000 0.829 173 S HN 0.641 nan 8.310 nan 0.000 0.467 174 A N -0.749 121.875 122.820 -0.327 0.000 1.903 174 A HA 0.223 4.542 4.320 -0.001 0.000 0.213 174 A C 1.670 178.905 177.584 -0.581 0.000 1.185 174 A CA 1.011 52.690 52.037 -0.598 0.000 0.628 174 A CB -0.503 17.867 19.000 -1.050 0.000 0.830 174 A HN 0.686 nan 8.150 nan 0.000 0.446 175 Y N -1.495 118.789 120.300 -0.027 0.000 2.535 175 Y HA 0.449 4.998 4.550 -0.001 0.000 0.264 175 Y C 1.443 177.371 175.900 0.047 0.000 1.087 175 Y CA 0.033 58.158 58.100 0.041 0.000 1.285 175 Y CB 0.191 38.767 38.460 0.193 0.000 1.200 175 Y HN 0.538 nan 8.280 nan 0.000 0.514 176 G N 0.361 109.253 108.800 0.153 0.000 2.362 176 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.517 176 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.517 176 G C -2.328 172.649 174.900 0.128 0.000 1.256 176 G CA -0.398 44.772 45.100 0.116 0.000 1.027 176 G HN -0.130 nan 8.290 nan 0.000 0.491 177 P HA 0.100 nan 4.420 nan 0.000 0.230 177 P C 0.402 177.800 177.300 0.165 0.000 1.168 177 P CA 0.537 63.734 63.100 0.161 0.000 0.793 177 P CB 0.050 31.844 31.700 0.156 0.000 0.851 178 N N 0.345 119.111 118.700 0.110 0.000 2.463 178 N HA 0.251 4.990 4.740 -0.001 0.000 0.270 178 N C -0.045 175.398 175.510 -0.112 0.000 1.205 178 N CA -0.354 52.713 53.050 0.029 0.000 0.974 178 N CB 0.338 38.822 38.487 -0.005 0.000 1.197 178 N HN -0.069 nan 8.380 nan 0.000 0.504 179 M N 1.492 120.908 119.600 -0.307 0.000 2.157 179 M HA 0.165 4.644 4.480 -0.001 0.000 0.354 179 M C -1.326 174.478 176.300 -0.826 0.000 1.170 179 M CA -0.394 54.452 55.300 -0.756 0.000 1.060 179 M CB 0.292 32.161 32.600 -1.218 0.000 1.615 179 M HN 0.435 nan 8.290 nan 0.000 0.460 180 Y N 6.465 125.793 120.300 -1.619 0.000 2.958 180 Y HA 0.633 5.182 4.550 -0.001 0.000 0.336 180 Y C -1.685 173.852 175.900 -0.605 0.000 1.160 180 Y CA -0.303 57.214 58.100 -0.973 0.000 1.292 180 Y CB 0.170 38.095 38.460 -0.893 0.000 1.306 180 Y HN 0.664 nan 8.280 nan 0.000 0.547 181 L N 3.198 124.093 121.223 -0.546 0.000 2.403 181 L HA 0.550 4.889 4.340 -0.001 0.000 0.253 181 L C -0.771 175.970 176.870 -0.215 0.000 1.045 181 L CA -1.306 53.356 54.840 -0.296 0.000 0.845 181 L CB 2.550 44.492 42.059 -0.195 0.000 1.447 181 L HN 0.262 nan 8.230 nan 0.000 0.411 182 M N 0.653 120.189 119.600 -0.107 0.000 2.157 182 M HA 0.286 4.765 4.480 -0.001 0.000 0.354 182 M C -0.604 175.758 176.300 0.105 0.000 1.170 182 M CA -0.591 54.659 55.300 -0.083 0.000 1.060 182 M CB 1.171 33.696 32.600 -0.125 0.000 1.615 182 M HN 0.416 nan 8.290 nan 0.000 0.460 183 H N 3.711 122.780 119.070 -0.002 0.000 2.732 183 H HA -0.017 4.538 4.556 -0.001 0.000 0.351 183 H C 0.619 176.077 175.328 0.217 0.000 1.090 183 H CA 0.243 56.343 56.048 0.086 0.000 1.431 183 H CB 0.710 30.367 29.762 -0.175 0.000 1.447 183 H HN 0.744 nan 8.280 nan 0.000 0.582 184 W N 5.457 126.393 121.300 -0.608 0.000 2.467 184 W HA 0.071 4.730 4.660 -0.001 0.000 0.275 184 W C -1.155 175.300 176.519 -0.107 0.000 1.239 184 W CA -0.085 57.110 57.345 -0.251 0.000 1.266 184 W CB -0.161 29.196 29.460 -0.171 0.000 1.112 184 W HN 0.379 nan 8.180 nan 0.000 0.576 185 L N 1.659 122.344 121.223 -0.897 0.000 2.436 185 L HA 0.575 4.914 4.340 -0.001 0.000 0.268 185 L C -0.844 175.975 176.870 -0.085 0.000 0.974 185 L CA -1.121 53.247 54.840 -0.786 0.000 0.826 185 L CB 2.055 43.221 42.059 -1.489 0.000 1.291 185 L HN 0.039 nan 8.230 nan 0.000 0.406 186 M N 3.676 123.246 119.600 -0.050 0.000 2.322 186 M HA 0.387 4.866 4.480 -0.001 0.000 0.286 186 M C -1.828 174.487 176.300 0.025 0.000 1.111 186 M CA -0.514 54.803 55.300 0.028 0.000 0.941 186 M CB 1.868 34.474 32.600 0.011 0.000 1.671 186 M HN 0.618 nan 8.290 nan 0.000 0.470 187 D N 4.282 124.717 120.400 0.059 0.000 2.453 187 D HA 0.219 4.858 4.640 -0.001 0.000 0.223 187 D C 0.859 177.210 176.300 0.086 0.000 1.183 187 D CA -0.064 54.019 54.000 0.139 0.000 0.933 187 D CB 0.979 41.909 40.800 0.218 0.000 1.038 187 D HN 0.518 nan 8.370 nan 0.000 0.513 188 V N 3.037 123.005 119.914 0.090 0.000 2.332 188 V HA -0.170 3.949 4.120 -0.001 0.000 0.248 188 V C 1.211 177.310 176.094 0.007 0.000 1.055 188 V CA 1.556 63.857 62.300 0.002 0.000 1.038 188 V CB -0.115 31.723 31.823 0.025 0.000 0.651 188 V HN 0.535 nan 8.190 nan 0.000 0.450 189 D N -0.550 119.917 120.400 0.113 0.000 2.501 189 D HA 0.131 4.770 4.640 -0.001 0.000 0.226 189 D C 0.396 176.751 176.300 0.092 0.000 1.198 189 D CA -0.068 53.987 54.000 0.092 0.000 0.830 189 D CB -0.082 40.802 40.800 0.140 0.000 1.014 189 D HN 0.415 nan 8.370 nan 0.000 0.496 190 N N 0.341 119.096 118.700 0.093 0.000 2.738 190 N HA -0.235 4.505 4.740 -0.001 0.000 0.249 190 N C 0.348 175.862 175.510 0.008 0.000 1.047 190 N CA 0.223 53.310 53.050 0.062 0.000 0.707 190 N CB -1.597 36.909 38.487 0.032 0.000 0.937 190 N HN 0.478 nan 8.380 nan 0.000 0.545 191 W N -0.013 121.155 121.300 -0.220 0.000 2.467 191 W HA 0.055 4.715 4.660 -0.001 0.000 0.275 191 W C 1.295 177.443 176.519 -0.617 0.000 1.239 191 W CA 1.106 58.176 57.345 -0.458 0.000 1.266 191 W CB -0.366 28.639 29.460 -0.759 0.000 1.112 191 W HN 0.421 nan 8.180 nan 0.000 0.576 192 Y N 0.150 120.203 120.300 -0.412 0.000 2.457 192 Y HA 0.121 4.670 4.550 -0.001 0.000 0.292 192 Y C 2.467 177.812 175.900 -0.926 0.000 1.125 192 Y CA 1.767 59.416 58.100 -0.753 0.000 1.254 192 Y CB -0.450 37.654 38.460 -0.592 0.000 1.012 192 Y HN 0.126 nan 8.280 nan 0.000 0.555 193 G N -1.308 107.199 108.800 -0.488 0.000 2.225 193 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.254 193 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.254 193 G C 0.944 175.599 174.900 -0.408 0.000 0.988 193 G CA 0.358 45.188 45.100 -0.450 0.000 0.625 193 G HN 0.304 nan 8.290 nan 0.000 0.527 194 F N 1.826 121.642 119.950 -0.223 0.000 2.287 194 F HA 0.186 4.712 4.527 -0.001 0.000 0.301 194 F C 2.232 178.091 175.800 0.098 0.000 1.069 194 F CA 0.911 58.827 58.000 -0.140 0.000 1.372 194 F CB -0.689 38.297 39.000 -0.024 0.000 1.056 194 F HN 0.445 nan 8.300 nan 0.000 0.523 195 G N -0.895 108.030 108.800 0.209 0.000 2.511 195 G HA2 0.453 4.412 3.960 -0.001 0.000 0.316 195 G HA3 0.453 4.412 3.960 -0.001 0.000 0.316 195 G C -0.468 174.528 174.900 0.160 0.000 1.210 195 G CA -0.548 44.667 45.100 0.192 0.000 0.969 195 G HN 0.059 nan 8.290 nan 0.000 0.492 196 T N -0.456 114.183 114.554 0.142 0.000 2.918 196 T HA 0.431 4.781 4.350 -0.001 0.000 0.302 196 T C 1.682 176.430 174.700 0.080 0.000 1.045 196 T CA 0.443 62.610 62.100 0.112 0.000 1.114 196 T CB 0.881 69.810 68.868 0.102 0.000 0.965 196 T HN 1.692 nan 8.240 nan 0.000 0.540 197 G N 1.799 110.638 108.800 0.064 0.000 2.678 197 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.362 197 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.362 197 G C 0.938 175.857 174.900 0.031 0.000 1.169 197 G CA 1.143 46.269 45.100 0.043 0.000 0.933 197 G HN 1.105 nan 8.290 nan 0.000 0.587 198 T N 1.574 116.148 114.554 0.033 0.000 3.182 198 T HA 0.351 4.700 4.350 -0.001 0.000 0.277 198 T C 0.969 175.682 174.700 0.022 0.000 1.013 198 T CA 0.183 62.298 62.100 0.025 0.000 0.900 198 T CB -0.199 68.681 68.868 0.021 0.000 1.098 198 T HN 0.490 nan 8.240 nan 0.000 0.543 199 R N 1.342 121.868 120.500 0.043 0.000 2.643 199 R HA 0.535 4.874 4.340 -0.001 0.000 0.270 199 R C 0.414 176.724 176.300 0.017 0.000 1.061 199 R CA -0.203 55.927 56.100 0.051 0.000 1.107 199 R CB 0.463 30.830 30.300 0.111 0.000 0.999 199 R HN 0.315 nan 8.270 nan 0.000 0.460 200 A N 2.088 124.880 122.820 -0.046 0.000 2.488 200 A HA 0.196 4.515 4.320 -0.001 0.000 0.249 200 A C -0.202 177.341 177.584 -0.068 0.000 1.083 200 A CA 0.326 52.306 52.037 -0.095 0.000 0.768 200 A CB 0.333 19.173 19.000 -0.268 0.000 1.017 200 A HN 0.609 nan 8.150 nan 0.000 0.496 201 T N 2.823 117.328 114.554 -0.081 0.000 2.881 201 T HA 0.489 4.838 4.350 -0.001 0.000 0.290 201 T C -0.474 174.178 174.700 -0.079 0.000 1.000 201 T CA -0.124 61.945 62.100 -0.051 0.000 0.978 201 T CB 0.496 69.424 68.868 0.101 0.000 0.997 201 T HN 0.372 nan 8.240 nan 0.000 0.443 202 F N 3.930 123.940 119.950 0.100 0.000 2.529 202 F HA 0.483 5.009 4.527 -0.001 0.000 0.365 202 F C 0.891 176.696 175.800 0.008 0.000 1.102 202 F CA -0.455 57.580 58.000 0.058 0.000 1.271 202 F CB 0.324 39.323 39.000 -0.001 0.000 1.120 202 F HN 0.433 nan 8.300 nan 0.000 0.579 203 I N -0.042 120.643 120.570 0.191 0.000 3.191 203 I HA 0.699 4.869 4.170 -0.001 0.000 0.313 203 I C -1.343 174.750 176.117 -0.040 0.000 1.193 203 I CA -0.958 60.320 61.300 -0.038 0.000 0.968 203 I CB 2.550 40.499 38.000 -0.085 0.000 1.262 203 I HN 0.471 nan 8.210 nan 0.000 0.456 204 N N -0.107 118.367 118.700 -0.378 0.000 2.732 204 N HA 0.657 5.396 4.740 -0.001 0.000 0.259 204 N C -0.474 174.673 175.510 -0.606 0.000 1.402 204 N CA 0.251 53.155 53.050 -0.243 0.000 0.829 204 N CB 2.475 40.945 38.487 -0.029 0.000 1.495 204 N HN 0.957 nan 8.380 nan 0.000 0.511 205 T N -2.566 111.894 114.554 -0.156 0.000 3.425 205 T HA 0.376 4.725 4.350 -0.001 0.000 0.225 205 T C 0.307 174.922 174.700 -0.142 0.000 0.992 205 T CA -0.072 61.892 62.100 -0.226 0.000 1.174 205 T CB -0.596 68.080 68.868 -0.319 0.000 1.240 205 T HN 0.192 nan 8.240 nan 0.000 0.350 206 F N 3.293 123.280 119.950 0.062 0.000 2.608 206 F HA 0.350 4.876 4.527 -0.001 0.000 0.380 206 F C 1.765 177.502 175.800 -0.105 0.000 1.083 206 F CA 0.287 58.297 58.000 0.017 0.000 1.266 206 F CB 0.442 39.495 39.000 0.088 0.000 1.076 206 F HN 0.294 nan 8.300 nan 0.000 0.574 207 Q N 1.872 121.646 119.800 -0.044 0.000 2.106 207 Q HA 0.120 4.459 4.340 -0.001 0.000 0.230 207 Q C 0.461 176.289 176.000 -0.286 0.000 0.720 207 Q CA 0.107 55.755 55.803 -0.258 0.000 0.899 207 Q CB 0.616 28.876 28.738 -0.796 0.000 1.232 207 Q HN 0.639 nan 8.270 nan 0.000 0.461 208 R N 1.260 121.550 120.500 -0.351 0.000 3.130 208 R HA 0.470 4.809 4.340 -0.001 0.000 0.348 208 R C 0.309 176.278 176.300 -0.552 0.000 1.241 208 R CA 0.415 55.925 56.100 -0.984 0.000 1.141 208 R CB 0.906 30.802 30.300 -0.673 0.000 1.453 208 R HN 0.259 nan 8.270 nan 0.000 0.590 209 G N 1.802 110.471 108.800 -0.218 0.000 2.741 209 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.222 209 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.222 209 G C 0.701 175.540 174.900 -0.102 0.000 1.364 209 G CA 0.108 45.185 45.100 -0.038 0.000 0.866 209 G HN 0.551 nan 8.290 nan 0.000 0.555 210 E N -0.862 119.245 120.200 -0.155 0.000 2.204 210 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 210 E C 1.609 178.236 176.600 0.045 0.000 0.990 210 E CA 1.531 57.797 56.400 -0.224 0.000 0.821 210 E CB -0.036 29.519 29.700 -0.241 0.000 0.750 210 E HN 0.412 nan 8.360 nan 0.000 0.477 211 Q N 0.620 120.476 119.800 0.095 0.000 2.280 211 Q HA 0.126 4.465 4.340 -0.001 0.000 0.201 211 Q C -0.248 175.872 176.000 0.201 0.000 0.890 211 Q CA 0.172 56.060 55.803 0.143 0.000 0.947 211 Q CB 0.781 29.585 28.738 0.111 0.000 1.081 211 Q HN 0.389 nan 8.270 nan 0.000 0.502 212 E N 2.010 122.369 120.200 0.264 0.000 1.998 212 E HA 0.132 4.481 4.350 -0.001 0.000 0.257 212 E C -0.295 176.561 176.600 0.428 0.000 1.038 212 E CA -0.178 56.400 56.400 0.296 0.000 0.869 212 E CB 0.456 30.296 29.700 0.234 0.000 1.135 212 E HN 0.160 nan 8.360 nan 0.000 0.430 213 S N 1.827 117.725 115.700 0.330 0.000 2.633 213 S HA 0.029 4.498 4.470 -0.001 0.000 0.257 213 S C 1.452 176.216 174.600 0.274 0.000 1.265 213 S CA -0.060 58.336 58.200 0.327 0.000 0.980 213 S CB 0.835 64.210 63.200 0.292 0.000 1.017 213 S HN 0.451 nan 8.310 nan 0.000 0.577 214 T N -1.065 113.576 114.554 0.145 0.000 2.849 214 T HA -0.139 4.211 4.350 -0.001 0.000 0.270 214 T C 0.999 175.553 174.700 -0.244 0.000 1.066 214 T CA 1.531 63.504 62.100 -0.212 0.000 1.130 214 T CB -0.614 68.014 68.868 -0.400 0.000 0.864 214 T HN 0.745 nan 8.240 nan 0.000 0.481 215 W N 1.798 123.093 121.300 -0.009 0.000 2.905 215 W HA 0.239 4.898 4.660 -0.001 0.000 0.251 215 W C 1.657 178.257 176.519 0.135 0.000 1.305 215 W CA -0.187 57.130 57.345 -0.048 0.000 1.465 215 W CB 0.045 29.404 29.460 -0.168 0.000 1.122 215 W HN 0.313 nan 8.180 nan 0.000 0.659 216 E N -0.430 119.938 120.200 0.280 0.000 2.624 216 E HA 0.049 4.398 4.350 -0.001 0.000 0.210 216 E C 0.624 177.318 176.600 0.157 0.000 0.997 216 E CA -0.043 56.498 56.400 0.235 0.000 0.999 216 E CB 0.372 30.206 29.700 0.223 0.000 1.040 216 E HN -0.035 nan 8.360 nan 0.000 0.469 217 T N -1.734 112.870 114.554 0.084 0.000 2.912 217 T HA 0.614 4.963 4.350 -0.001 0.000 0.280 217 T C 0.108 174.849 174.700 0.068 0.000 0.989 217 T CA -0.697 61.405 62.100 0.004 0.000 0.995 217 T CB 1.442 70.168 68.868 -0.235 0.000 1.077 217 T HN -0.041 nan 8.240 nan 0.000 0.531 218 I N 2.250 122.894 120.570 0.124 0.000 2.464 218 I HA 0.331 4.500 4.170 -0.001 0.000 0.277 218 I C -2.518 173.679 176.117 0.135 0.000 1.040 218 I CA -2.560 58.838 61.300 0.163 0.000 1.153 218 I CB 1.862 40.009 38.000 0.246 0.000 1.274 218 I HN 0.433 nan 8.210 nan 0.000 0.469 219 P HA 0.062 nan 4.420 nan 0.000 0.266 219 P C -1.064 175.956 177.300 -0.467 0.000 1.195 219 P CA 0.485 63.360 63.100 -0.376 0.000 0.768 219 P CB 0.343 31.596 31.700 -0.744 0.000 0.838 220 H N 0.496 119.130 119.070 -0.727 0.000 3.037 220 H HA 0.452 5.007 4.556 -0.001 0.000 0.355 220 H C -3.237 171.485 175.328 -1.010 0.000 1.263 220 H CA -2.761 52.459 56.048 -1.380 0.000 1.129 220 H CB 0.918 30.023 29.762 -1.095 0.000 1.861 220 H HN 0.105 nan 8.280 nan 0.000 0.546 221 P HA 0.148 nan 4.420 nan 0.000 0.274 221 P C 0.311 177.549 177.300 -0.103 0.000 1.231 221 P CA -0.301 62.554 63.100 -0.409 0.000 0.790 221 P CB 1.377 32.927 31.700 -0.250 0.000 0.951 222 S N 0.892 116.580 115.700 -0.020 0.000 2.388 222 S HA 0.079 4.548 4.470 -0.001 0.000 0.223 222 S C 1.120 175.688 174.600 -0.053 0.000 1.034 222 S CA 0.469 58.634 58.200 -0.058 0.000 0.963 222 S CB -0.450 62.651 63.200 -0.166 0.000 0.827 222 S HN 0.442 nan 8.310 nan 0.000 0.481 223 I N 3.043 123.639 120.570 0.043 0.000 2.389 223 I HA 0.190 4.359 4.170 -0.001 0.000 0.295 223 I C -0.012 176.155 176.117 0.084 0.000 1.117 223 I CA -0.185 61.167 61.300 0.087 0.000 1.317 223 I CB 0.065 38.148 38.000 0.139 0.000 1.431 223 I HN 0.041 nan 8.210 nan 0.000 0.521 224 E N 6.808 127.046 120.200 0.063 0.000 1.963 224 E HA 0.107 4.456 4.350 -0.001 0.000 0.274 224 E C 0.173 176.729 176.600 -0.072 0.000 1.061 224 E CA -0.069 56.375 56.400 0.073 0.000 0.847 224 E CB 0.481 30.260 29.700 0.132 0.000 1.083 224 E HN 0.479 nan 8.360 nan 0.000 0.402 225 E N 4.462 124.656 120.200 -0.010 0.000 2.451 225 E HA 0.055 4.404 4.350 -0.001 0.000 0.194 225 E C -0.211 176.363 176.600 -0.044 0.000 1.027 225 E CA -0.275 56.063 56.400 -0.104 0.000 0.914 225 E CB -0.025 29.682 29.700 0.011 0.000 1.054 225 E HN 0.573 nan 8.360 nan 0.000 0.461 226 F N -0.081 119.933 119.950 0.106 0.000 2.890 226 F HA -0.359 4.167 4.527 -0.001 0.000 0.346 226 F C 2.133 177.932 175.800 -0.001 0.000 0.660 226 F CA 1.166 59.200 58.000 0.057 0.000 1.091 226 F CB -2.253 36.763 39.000 0.027 0.000 1.535 226 F HN 0.270 nan 8.300 nan 0.000 0.314 227 K N -0.554 119.921 120.400 0.125 0.000 2.293 227 K HA -0.017 4.302 4.320 -0.001 0.000 0.204 227 K C 0.507 176.822 176.600 -0.475 0.000 1.045 227 K CA 2.237 58.416 56.287 -0.180 0.000 0.933 227 K CB -0.745 31.623 32.500 -0.221 0.000 0.736 227 K HN 0.561 nan 8.250 nan 0.000 0.463 228 Y N -3.361 117.096 120.300 0.261 0.000 2.689 228 Y HA 0.479 5.028 4.550 -0.001 0.000 0.333 228 Y C 1.323 177.259 175.900 0.061 0.000 1.190 228 Y CA -0.766 57.486 58.100 0.253 0.000 1.063 228 Y CB 1.661 40.425 38.460 0.508 0.000 1.294 228 Y HN 0.391 nan 8.280 nan 0.000 0.466 229 G N 0.150 108.975 108.800 0.041 0.000 2.496 229 G HA2 0.088 4.047 3.960 -0.001 0.000 0.243 229 G HA3 0.088 4.047 3.960 -0.001 0.000 0.243 229 G C 0.263 174.961 174.900 -0.337 0.000 1.176 229 G CA -0.280 44.476 45.100 -0.574 0.000 0.940 229 G HN 1.295 nan 8.290 nan 0.000 0.573 230 G N -0.190 108.345 108.800 -0.442 0.000 2.509 230 G HA2 0.599 4.559 3.960 -0.001 0.000 0.269 230 G HA3 0.599 4.559 3.960 -0.001 0.000 0.269 230 G C -0.806 173.813 174.900 -0.468 0.000 1.416 230 G CA 0.522 45.199 45.100 -0.704 0.000 1.052 230 G HN 0.616 nan 8.290 nan 0.000 0.542 231 P HA -0.016 nan 4.420 nan 0.000 0.217 231 P C 0.764 177.687 177.300 -0.629 0.000 1.151 231 P CA 0.789 63.624 63.100 -0.442 0.000 0.828 231 P CB 0.222 31.686 31.700 -0.394 0.000 0.788 232 N N -0.309 117.993 118.700 -0.663 0.000 2.451 232 N HA 0.159 4.898 4.740 -0.001 0.000 0.264 232 N C 1.212 176.489 175.510 -0.387 0.000 1.167 232 N CA 0.699 53.186 53.050 -0.938 0.000 0.898 232 N CB 0.125 38.163 38.487 -0.748 0.000 1.176 232 N HN 0.083 nan 8.380 nan 0.000 0.507 233 G N 1.745 110.451 108.800 -0.157 0.000 2.634 233 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.318 233 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.318 233 G C 0.356 175.232 174.900 -0.041 0.000 1.207 233 G CA 0.539 45.727 45.100 0.147 0.000 0.987 233 G HN 0.358 nan 8.290 nan 0.000 0.547 234 F N 1.051 121.098 119.950 0.163 0.000 2.706 234 F HA 0.440 4.966 4.527 -0.001 0.000 0.308 234 F C 2.476 178.115 175.800 -0.269 0.000 1.095 234 F CA 0.233 58.211 58.000 -0.036 0.000 1.244 234 F CB 0.077 39.045 39.000 -0.054 0.000 1.063 234 F HN 0.214 nan 8.300 nan 0.000 0.582 235 L N 0.581 121.859 121.223 0.091 0.000 1.989 235 L HA -0.249 4.090 4.340 -0.001 0.000 0.211 235 L C 2.104 178.928 176.870 -0.077 0.000 1.071 235 L CA 1.789 56.682 54.840 0.088 0.000 0.749 235 L CB -0.753 41.440 42.059 0.223 0.000 0.890 235 L HN 0.193 nan 8.230 nan 0.000 0.431 236 D N 0.058 120.315 120.400 -0.238 0.000 2.392 236 D HA -0.146 4.493 4.640 -0.001 0.000 0.228 236 D C 2.057 178.224 176.300 -0.221 0.000 1.003 236 D CA 0.678 54.564 54.000 -0.190 0.000 0.917 236 D CB -0.352 40.235 40.800 -0.355 0.000 0.890 236 D HN 0.368 nan 8.370 nan 0.000 0.532 237 L N -1.172 119.698 121.223 -0.589 0.000 2.156 237 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 237 L C 1.568 178.090 176.870 -0.581 0.000 1.095 237 L CA 0.947 55.201 54.840 -0.976 0.000 0.770 237 L CB -0.142 40.932 42.059 -1.641 0.000 0.914 237 L HN -0.029 nan 8.230 nan 0.000 0.439 238 F N -1.876 118.088 119.950 0.022 0.000 2.537 238 F HA 0.124 4.651 4.527 -0.001 0.000 0.275 238 F C 1.093 177.030 175.800 0.228 0.000 0.947 238 F CA -0.218 57.862 58.000 0.134 0.000 1.238 238 F CB -0.425 38.594 39.000 0.032 0.000 1.071 238 F HN -0.173 nan 8.300 nan 0.000 0.749 239 T N -0.849 113.910 114.554 0.341 0.000 2.847 239 T HA 0.328 4.677 4.350 -0.001 0.000 0.291 239 T C -0.716 174.149 174.700 0.274 0.000 0.998 239 T CA -0.851 61.403 62.100 0.256 0.000 0.967 239 T CB 1.870 70.841 68.868 0.173 0.000 0.954 239 T HN 0.063 nan 8.240 nan 0.000 0.441 240 K N 3.196 123.733 120.400 0.228 0.000 2.338 240 K HA 0.172 4.491 4.320 -0.001 0.000 0.290 240 K C -0.721 175.965 176.600 0.144 0.000 1.069 240 K CA -0.255 56.182 56.287 0.249 0.000 0.941 240 K CB 0.329 32.938 32.500 0.181 0.000 1.023 240 K HN 0.659 nan 8.250 nan 0.000 0.477 241 D N 2.815 123.232 120.400 0.029 0.000 2.340 241 D HA 0.324 4.963 4.640 -0.001 0.000 0.243 241 D C 1.131 177.241 176.300 -0.316 0.000 0.988 241 D CA -0.151 53.740 54.000 -0.183 0.000 0.959 241 D CB 1.669 42.255 40.800 -0.355 0.000 1.226 241 D HN 0.518 nan 8.370 nan 0.000 0.509 242 R N 0.926 121.296 120.500 -0.217 0.000 2.066 242 R HA 0.217 4.556 4.340 -0.001 0.000 0.232 242 R C 1.305 177.412 176.300 -0.321 0.000 1.131 242 R CA 1.933 57.896 56.100 -0.229 0.000 0.955 242 R CB -1.460 28.709 30.300 -0.217 0.000 0.851 242 R HN 0.636 nan 8.270 nan 0.000 0.432 243 S N -1.556 113.913 115.700 -0.386 0.000 2.599 243 S HA 0.765 5.234 4.470 -0.001 0.000 0.294 243 S C -0.931 173.426 174.600 -0.404 0.000 1.094 243 S CA -0.783 57.223 58.200 -0.323 0.000 0.931 243 S CB 1.072 64.182 63.200 -0.150 0.000 1.093 243 S HN 0.376 nan 8.310 nan 0.000 0.488 244 Y N 0.793 121.148 120.300 0.092 0.000 2.341 244 Y HA 0.657 5.206 4.550 -0.001 0.000 0.338 244 Y C 0.402 176.520 175.900 0.363 0.000 0.965 244 Y CA -0.566 57.652 58.100 0.197 0.000 1.108 244 Y CB 1.883 40.426 38.460 0.139 0.000 1.180 244 Y HN 0.901 nan 8.280 nan 0.000 0.458 245 A N 2.965 126.115 122.820 0.549 0.000 2.479 245 A HA 0.640 4.959 4.320 -0.001 0.000 0.296 245 A C -1.101 176.614 177.584 0.218 0.000 1.121 245 A CA -1.285 51.019 52.037 0.445 0.000 0.743 245 A CB 1.218 20.430 19.000 0.354 0.000 1.323 245 A HN 0.725 nan 8.150 nan 0.000 0.415 246 K N 1.268 121.591 120.400 -0.128 0.000 2.416 246 K HA 0.264 4.583 4.320 -0.001 0.000 0.283 246 K C -0.170 176.381 176.600 -0.081 0.000 1.037 246 K CA 0.446 56.520 56.287 -0.355 0.000 0.995 246 K CB 0.201 32.491 32.500 -0.350 0.000 0.938 246 K HN 0.762 nan 8.250 nan 0.000 0.475 247 Q N 3.246 123.000 119.800 -0.077 0.000 2.511 247 Q HA 0.482 4.822 4.340 -0.001 0.000 0.289 247 Q C -1.287 174.661 176.000 -0.087 0.000 1.021 247 Q CA -1.203 54.524 55.803 -0.126 0.000 0.785 247 Q CB 1.503 30.234 28.738 -0.012 0.000 1.472 247 Q HN 0.627 nan 8.270 nan 0.000 0.411 248 W N 0.819 121.998 121.300 -0.202 0.000 2.689 248 W HA 0.796 5.455 4.660 -0.001 0.000 0.340 248 W C -0.948 175.300 176.519 -0.452 0.000 1.060 248 W CA -0.822 56.307 57.345 -0.360 0.000 1.218 248 W CB 1.418 30.620 29.460 -0.431 0.000 1.410 248 W HN 0.876 nan 8.180 nan 0.000 0.528 249 R N 1.623 121.862 120.500 -0.434 0.000 2.668 249 R HA 0.595 4.935 4.340 -0.001 0.000 0.272 249 R C -2.239 173.524 176.300 -0.895 0.000 1.019 249 R CA -0.785 54.995 56.100 -0.532 0.000 0.894 249 R CB 1.654 31.978 30.300 0.039 0.000 1.228 249 R HN 0.566 nan 8.270 nan 0.000 0.460 250 Y N -0.408 119.574 120.300 -0.530 0.000 2.576 250 Y HA 0.618 5.167 4.550 -0.001 0.000 0.346 250 Y C -0.140 175.680 175.900 -0.134 0.000 1.018 250 Y CA -0.837 56.944 58.100 -0.531 0.000 1.050 250 Y CB 2.861 40.623 38.460 -1.164 0.000 1.280 250 Y HN 0.612 nan 8.280 nan 0.000 0.474 251 T N 2.328 117.194 114.554 0.520 0.000 2.881 251 T HA 0.298 4.647 4.350 -0.001 0.000 0.290 251 T C -0.888 174.053 174.700 0.402 0.000 1.000 251 T CA -1.126 61.221 62.100 0.410 0.000 0.978 251 T CB 1.033 70.050 68.868 0.248 0.000 0.997 251 T HN 0.664 nan 8.240 nan 0.000 0.443 252 N N 1.147 120.107 118.700 0.434 0.000 2.489 252 N HA 0.598 5.337 4.740 -0.001 0.000 0.284 252 N C -1.114 174.510 175.510 0.190 0.000 1.158 252 N CA -0.910 52.322 53.050 0.303 0.000 0.965 252 N CB 1.496 40.154 38.487 0.287 0.000 1.195 252 N HN 0.674 nan 8.380 nan 0.000 0.506 253 A N 1.828 124.711 122.820 0.104 0.000 2.328 253 A HA 0.453 4.772 4.320 -0.001 0.000 0.318 253 A C -1.728 175.812 177.584 -0.073 0.000 1.347 253 A CA -1.450 50.571 52.037 -0.027 0.000 0.842 253 A CB 1.111 20.042 19.000 -0.116 0.000 1.148 253 A HN 0.695 nan 8.150 nan 0.000 0.499 254 P HA -0.168 nan 4.420 nan 0.000 0.220 254 P C 0.803 178.035 177.300 -0.114 0.000 1.148 254 P CA 1.393 64.496 63.100 0.004 0.000 0.803 254 P CB 0.135 31.902 31.700 0.112 0.000 0.782 255 D N 0.982 121.163 120.400 -0.365 0.000 2.182 255 D HA -0.178 4.461 4.640 -0.001 0.000 0.201 255 D C 1.807 177.932 176.300 -0.292 0.000 0.986 255 D CA 1.603 55.359 54.000 -0.406 0.000 0.847 255 D CB -0.920 39.441 40.800 -0.731 0.000 0.942 255 D HN 0.137 nan 8.370 nan 0.000 0.467 256 A N 0.973 123.655 122.820 -0.230 0.000 1.877 256 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 256 A C 2.203 179.731 177.584 -0.093 0.000 1.186 256 A CA 1.929 53.886 52.037 -0.133 0.000 0.620 256 A CB -0.696 18.284 19.000 -0.032 0.000 0.822 256 A HN 0.213 nan 8.150 nan 0.000 0.443 257 E N -0.325 119.844 120.200 -0.051 0.000 2.051 257 E HA -0.039 4.310 4.350 -0.001 0.000 0.192 257 E C 2.142 178.739 176.600 -0.006 0.000 0.991 257 E CA 1.184 57.585 56.400 0.001 0.000 0.799 257 E CB -0.639 29.093 29.700 0.053 0.000 0.748 257 E HN 0.556 nan 8.360 nan 0.000 0.449 258 G N 0.783 109.558 108.800 -0.042 0.000 2.491 258 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.218 258 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.218 258 G C 1.568 176.386 174.900 -0.137 0.000 1.180 258 G CA 1.107 46.164 45.100 -0.072 0.000 0.774 258 G HN 0.179 nan 8.290 nan 0.000 0.562 259 R N 0.567 120.928 120.500 -0.230 0.000 2.103 259 R HA -0.067 4.273 4.340 -0.001 0.000 0.242 259 R C 2.880 178.995 176.300 -0.308 0.000 1.142 259 R CA 1.721 57.577 56.100 -0.407 0.000 0.960 259 R CB -0.427 29.560 30.300 -0.522 0.000 0.858 259 R HN 0.324 nan 8.270 nan 0.000 0.439 260 A N 0.684 123.441 122.820 -0.105 0.000 1.873 260 A HA -0.124 4.195 4.320 -0.001 0.000 0.215 260 A C 2.141 179.835 177.584 0.184 0.000 1.186 260 A CA 1.470 53.565 52.037 0.097 0.000 0.616 260 A CB -0.435 18.660 19.000 0.159 0.000 0.823 260 A HN 0.362 nan 8.150 nan 0.000 0.442 261 I N -0.495 120.143 120.570 0.113 0.000 2.315 261 I HA -0.270 3.900 4.170 -0.001 0.000 0.248 261 I C 2.725 178.809 176.117 -0.055 0.000 1.117 261 I CA 1.569 62.905 61.300 0.059 0.000 1.404 261 I CB -0.318 37.662 38.000 -0.032 0.000 1.071 261 I HN 0.533 nan 8.210 nan 0.000 0.419 262 Q N 1.448 121.210 119.800 -0.063 0.000 2.096 262 Q HA -0.266 4.074 4.340 -0.001 0.000 0.204 262 Q C 2.325 178.395 176.000 0.115 0.000 0.982 262 Q CA 2.159 57.991 55.803 0.049 0.000 0.850 262 Q CB -0.140 28.578 28.738 -0.034 0.000 0.901 262 Q HN 0.547 nan 8.270 nan 0.000 0.422 263 A N -0.035 122.769 122.820 -0.027 0.000 1.933 263 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 263 A C 2.178 179.935 177.584 0.289 0.000 1.175 263 A CA 1.451 53.569 52.037 0.134 0.000 0.628 263 A CB -0.549 18.509 19.000 0.096 0.000 0.814 263 A HN 0.316 nan 8.150 nan 0.000 0.444 264 V N -1.394 118.651 119.914 0.217 0.000 2.548 264 V HA -0.246 3.873 4.120 -0.001 0.000 0.249 264 V C 2.270 178.486 176.094 0.204 0.000 1.055 264 V CA 1.826 64.258 62.300 0.221 0.000 1.065 264 V CB -1.062 30.871 31.823 0.184 0.000 0.681 264 V HN 0.723 nan 8.190 nan 0.000 0.462 265 Y N 0.105 120.314 120.300 -0.152 0.000 2.081 265 Y HA -0.311 4.238 4.550 -0.001 0.000 0.280 265 Y C 2.179 177.811 175.900 -0.447 0.000 1.163 265 Y CA 2.017 59.857 58.100 -0.434 0.000 1.135 265 Y CB -0.435 37.572 38.460 -0.755 0.000 0.970 265 Y HN 0.290 nan 8.280 nan 0.000 0.498 266 W N -0.006 121.218 121.300 -0.128 0.000 2.358 266 W HA -0.158 4.501 4.660 -0.001 0.000 0.303 266 W C 2.739 178.861 176.519 -0.660 0.000 1.208 266 W CA 1.494 58.380 57.345 -0.765 0.000 1.274 266 W CB -0.844 28.027 29.460 -0.982 0.000 1.138 266 W HN 0.168 nan 8.180 nan 0.000 0.515 267 A N 0.434 123.320 122.820 0.109 0.000 1.883 267 A HA -0.293 4.026 4.320 -0.001 0.000 0.217 267 A C 1.965 179.442 177.584 -0.178 0.000 1.186 267 A CA 2.015 54.215 52.037 0.271 0.000 0.624 267 A CB -1.233 17.989 19.000 0.369 0.000 0.822 267 A HN 0.489 nan 8.150 nan 0.000 0.444 268 N N -0.280 118.297 118.700 -0.205 0.000 2.058 268 N HA -0.225 4.514 4.740 -0.001 0.000 0.191 268 N C 1.940 177.244 175.510 -0.343 0.000 1.037 268 N CA 1.862 54.734 53.050 -0.295 0.000 0.848 268 N CB -0.219 38.154 38.487 -0.191 0.000 1.021 268 N HN 0.601 nan 8.380 nan 0.000 0.422 269 K N 0.060 120.179 120.400 -0.467 0.000 2.009 269 K HA -0.153 4.166 4.320 -0.001 0.000 0.210 269 K C 2.047 178.588 176.600 -0.099 0.000 1.049 269 K CA 1.586 57.634 56.287 -0.399 0.000 0.929 269 K CB -0.255 31.864 32.500 -0.635 0.000 0.714 269 K HN 0.267 nan 8.250 nan 0.000 0.440 270 W N 0.385 121.725 121.300 0.066 0.000 2.363 270 W HA -0.030 4.629 4.660 -0.001 0.000 0.296 270 W C 2.335 178.893 176.519 0.065 0.000 1.212 270 W CA 0.898 58.345 57.345 0.170 0.000 1.260 270 W CB -0.987 28.724 29.460 0.418 0.000 1.131 270 W HN 0.315 nan 8.180 nan 0.000 0.530 271 A N 0.484 123.221 122.820 -0.138 0.000 1.897 271 A HA -0.173 4.146 4.320 -0.001 0.000 0.215 271 A C 2.053 179.500 177.584 -0.228 0.000 1.181 271 A CA 1.734 53.447 52.037 -0.540 0.000 0.620 271 A CB -0.644 17.594 19.000 -1.269 0.000 0.821 271 A HN 0.217 nan 8.150 nan 0.000 0.443 272 K N -0.178 120.111 120.400 -0.185 0.000 2.097 272 K HA -0.134 4.185 4.320 -0.001 0.000 0.206 272 K C 1.885 178.465 176.600 -0.034 0.000 1.049 272 K CA 1.490 57.707 56.287 -0.116 0.000 0.933 272 K CB -0.159 32.262 32.500 -0.132 0.000 0.717 272 K HN 0.604 nan 8.250 nan 0.000 0.442 273 E N 0.660 120.876 120.200 0.027 0.000 2.130 273 E HA -0.247 4.102 4.350 -0.001 0.000 0.196 273 E C 1.634 178.270 176.600 0.060 0.000 0.998 273 E CA 1.281 57.721 56.400 0.066 0.000 0.806 273 E CB 0.040 29.823 29.700 0.138 0.000 0.738 273 E HN 0.344 nan 8.360 nan 0.000 0.459 274 Q N -0.975 118.873 119.800 0.079 0.000 2.403 274 Q HA 0.103 4.442 4.340 -0.001 0.000 0.203 274 Q C 0.740 176.766 176.000 0.044 0.000 0.932 274 Q CA 0.341 56.196 55.803 0.086 0.000 0.945 274 Q CB 0.955 29.803 28.738 0.183 0.000 1.045 274 Q HN 0.361 nan 8.270 nan 0.000 0.511 275 G N 1.781 110.583 108.800 0.004 0.000 2.221 275 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.265 275 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.265 275 G C 0.323 175.204 174.900 -0.031 0.000 1.041 275 G CA 0.495 45.584 45.100 -0.018 0.000 0.807 275 G HN 0.313 nan 8.290 nan 0.000 0.502 276 K N -0.562 119.798 120.400 -0.068 0.000 2.592 276 K HA 0.312 4.631 4.320 -0.001 0.000 0.203 276 K C 2.194 178.653 176.600 -0.235 0.000 1.070 276 K CA 0.197 56.423 56.287 -0.101 0.000 1.062 276 K CB 0.445 32.935 32.500 -0.017 0.000 0.814 276 K HN 0.273 nan 8.250 nan 0.000 0.502 277 G N 1.447 110.112 108.800 -0.225 0.000 2.485 277 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.221 277 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.221 277 G C 1.483 176.250 174.900 -0.222 0.000 1.115 277 G CA 1.621 46.563 45.100 -0.263 0.000 0.751 277 G HN 0.420 nan 8.290 nan 0.000 0.567 278 S N 0.938 116.544 115.700 -0.155 0.000 2.399 278 S HA 0.172 4.641 4.470 -0.001 0.000 0.231 278 S C 2.522 177.060 174.600 -0.105 0.000 1.022 278 S CA 1.349 59.479 58.200 -0.117 0.000 0.983 278 S CB -0.375 62.780 63.200 -0.075 0.000 0.803 278 S HN 0.640 nan 8.310 nan 0.000 0.480 279 A N 1.007 123.764 122.820 -0.106 0.000 2.178 279 A HA 0.172 4.492 4.320 -0.001 0.000 0.218 279 A C 2.070 179.622 177.584 -0.053 0.000 1.157 279 A CA 1.370 53.385 52.037 -0.037 0.000 0.689 279 A CB -0.651 18.382 19.000 0.054 0.000 0.787 279 A HN 1.346 nan 8.150 nan 0.000 0.465 280 V N -5.638 114.180 119.914 -0.161 0.000 3.398 280 V HA 0.580 4.699 4.120 -0.001 0.000 0.298 280 V C 1.749 177.719 176.094 -0.207 0.000 1.496 280 V CA 0.562 62.766 62.300 -0.160 0.000 1.044 280 V CB -0.586 31.108 31.823 -0.215 0.000 0.880 280 V HN 0.344 nan 8.190 nan 0.000 0.443 281 A N 2.511 125.210 122.820 -0.202 0.000 1.865 281 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 281 A C 2.468 179.913 177.584 -0.232 0.000 1.191 281 A CA 2.945 54.846 52.037 -0.226 0.000 0.623 281 A CB -1.071 17.819 19.000 -0.184 0.000 0.826 281 A HN 0.925 nan 8.150 nan 0.000 0.444 282 S N -0.033 115.560 115.700 -0.178 0.000 2.370 282 S HA -0.162 4.307 4.470 -0.001 0.000 0.226 282 S C 1.750 176.187 174.600 -0.272 0.000 1.033 282 S CA 1.527 59.619 58.200 -0.179 0.000 1.011 282 S CB -1.106 62.030 63.200 -0.106 0.000 0.852 282 S HN 0.305 nan 8.310 nan 0.000 0.457 283 V N 1.970 121.698 119.914 -0.310 0.000 2.407 283 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 283 V C 2.552 178.288 176.094 -0.597 0.000 1.055 283 V CA 1.472 63.438 62.300 -0.557 0.000 1.049 283 V CB -0.964 30.617 31.823 -0.403 0.000 0.662 283 V HN 0.413 nan 8.190 nan 0.000 0.455 284 V N -0.293 119.353 119.914 -0.446 0.000 2.332 284 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 284 V C 2.593 178.365 176.094 -0.537 0.000 1.055 284 V CA 2.410 64.379 62.300 -0.553 0.000 1.038 284 V CB -0.756 30.670 31.823 -0.661 0.000 0.651 284 V HN 0.544 nan 8.190 nan 0.000 0.450 285 S N -0.699 114.756 115.700 -0.409 0.000 2.356 285 S HA -0.218 4.251 4.470 -0.001 0.000 0.223 285 S C 2.013 176.467 174.600 -0.243 0.000 1.032 285 S CA 1.674 59.697 58.200 -0.294 0.000 1.005 285 S CB -0.235 62.833 63.200 -0.220 0.000 0.867 285 S HN 0.602 nan 8.310 nan 0.000 0.449 286 K N 1.255 121.475 120.400 -0.301 0.000 2.057 286 K HA 0.006 4.325 4.320 -0.001 0.000 0.207 286 K C 2.334 178.909 176.600 -0.042 0.000 1.049 286 K CA 1.177 57.341 56.287 -0.204 0.000 0.931 286 K CB -0.300 32.092 32.500 -0.180 0.000 0.714 286 K HN 0.321 nan 8.250 nan 0.000 0.440 287 A N 1.520 124.163 122.820 -0.295 0.000 1.902 287 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 287 A C 2.380 180.044 177.584 0.134 0.000 1.181 287 A CA 1.812 53.825 52.037 -0.040 0.000 0.623 287 A CB -0.748 18.191 19.000 -0.102 0.000 0.818 287 A HN 0.328 nan 8.150 nan 0.000 0.443 288 A N 0.116 122.960 122.820 0.040 0.000 1.883 288 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 288 A C 2.130 179.772 177.584 0.097 0.000 1.186 288 A CA 2.214 54.300 52.037 0.081 0.000 0.624 288 A CB -0.539 18.435 19.000 -0.043 0.000 0.822 288 A HN 0.600 nan 8.150 nan 0.000 0.444 289 K N -0.795 119.627 120.400 0.038 0.000 2.009 289 K HA -0.198 4.122 4.320 -0.001 0.000 0.210 289 K C 2.164 178.867 176.600 0.171 0.000 1.049 289 K CA 1.967 58.213 56.287 -0.068 0.000 0.929 289 K CB -0.327 31.983 32.500 -0.318 0.000 0.714 289 K HN 0.459 nan 8.250 nan 0.000 0.440 290 M N 0.318 120.130 119.600 0.353 0.000 2.108 290 M HA -0.171 4.308 4.480 -0.001 0.000 0.257 290 M C 1.939 178.450 176.300 0.352 0.000 1.071 290 M CA 2.324 57.904 55.300 0.467 0.000 1.093 290 M CB -0.513 32.388 32.600 0.503 0.000 1.345 290 M HN 0.400 nan 8.290 nan 0.000 0.403 291 G N -0.408 108.542 108.800 0.251 0.000 2.418 291 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 291 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 291 G C 1.148 176.316 174.900 0.447 0.000 1.158 291 G CA 1.165 46.384 45.100 0.198 0.000 0.771 291 G HN 0.460 nan 8.290 nan 0.000 0.545 292 D N 0.422 121.018 120.400 0.327 0.000 2.116 292 D HA -0.110 4.529 4.640 -0.001 0.000 0.193 292 D C 2.233 178.610 176.300 0.128 0.000 0.998 292 D CA 0.705 54.865 54.000 0.267 0.000 0.836 292 D CB -0.330 40.528 40.800 0.097 0.000 0.951 292 D HN 0.319 nan 8.370 nan 0.000 0.449 293 F N 0.004 120.025 119.950 0.120 0.000 2.216 293 F HA -0.125 4.401 4.527 -0.001 0.000 0.300 293 F C 2.178 178.046 175.800 0.112 0.000 1.085 293 F CA 0.097 58.132 58.000 0.059 0.000 1.326 293 F CB -0.227 38.750 39.000 -0.038 0.000 1.027 293 F HN 0.011 nan 8.300 nan 0.000 0.497 294 L N 0.259 121.713 121.223 0.385 0.000 2.447 294 L HA -0.181 4.159 4.340 -0.001 0.000 0.225 294 L C 2.145 179.143 176.870 0.213 0.000 1.148 294 L CA 1.285 56.338 54.840 0.355 0.000 0.808 294 L CB -1.053 41.329 42.059 0.538 0.000 0.928 294 L HN 0.058 nan 8.230 nan 0.000 0.448 295 R N -0.865 119.704 120.500 0.114 0.000 2.120 295 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 295 R C 1.925 178.283 176.300 0.096 0.000 1.123 295 R CA 0.998 57.046 56.100 -0.086 0.000 0.975 295 R CB -0.223 30.042 30.300 -0.059 0.000 0.866 295 R HN 0.446 nan 8.270 nan 0.000 0.446 296 N N 0.951 119.762 118.700 0.185 0.000 2.192 296 N HA -0.176 4.563 4.740 -0.001 0.000 0.188 296 N C 0.674 176.300 175.510 0.193 0.000 1.013 296 N CA 1.242 54.440 53.050 0.245 0.000 0.863 296 N CB -0.184 38.406 38.487 0.171 0.000 0.990 296 N HN 0.308 nan 8.380 nan 0.000 0.430 297 D N 0.177 120.642 120.400 0.109 0.000 2.363 297 D HA 0.016 4.655 4.640 -0.001 0.000 0.226 297 D C 1.186 177.476 176.300 -0.016 0.000 1.020 297 D CA 0.271 54.316 54.000 0.074 0.000 0.892 297 D CB 0.131 41.005 40.800 0.123 0.000 0.900 297 D HN 0.375 nan 8.370 nan 0.000 0.531 298 M N -0.355 119.094 119.600 -0.252 0.000 2.495 298 M HA 0.096 4.575 4.480 -0.001 0.000 0.237 298 M C -0.269 175.127 176.300 -1.507 0.000 1.131 298 M CA 0.409 55.265 55.300 -0.740 0.000 1.032 298 M CB 0.333 32.372 32.600 -0.935 0.000 1.513 298 M HN -0.180 nan 8.290 nan 0.000 0.488 299 F N 0.005 119.545 119.950 -0.684 0.000 2.522 299 F HA 0.291 4.817 4.527 -0.001 0.000 0.324 299 F C 0.677 176.146 175.800 -0.552 0.000 1.077 299 F CA -1.688 55.872 58.000 -0.734 0.000 0.944 299 F CB 0.565 39.181 39.000 -0.641 0.000 1.175 299 F HN -0.101 nan 8.300 nan 0.000 0.468 300 D N 2.286 122.570 120.400 -0.194 0.000 2.563 300 D HA -0.128 4.511 4.640 -0.001 0.000 0.229 300 D C 1.120 177.269 176.300 -0.250 0.000 1.159 300 D CA 0.432 54.402 54.000 -0.050 0.000 0.869 300 D CB 0.823 41.685 40.800 0.103 0.000 1.203 300 D HN 0.735 nan 8.370 nan 0.000 0.478 301 K N 2.337 122.621 120.400 -0.194 0.000 2.044 301 K HA -0.233 4.086 4.320 -0.001 0.000 0.210 301 K C 0.645 176.944 176.600 -0.502 0.000 1.049 301 K CA 1.489 57.532 56.287 -0.407 0.000 0.927 301 K CB -0.091 32.118 32.500 -0.484 0.000 0.713 301 K HN 0.519 nan 8.250 nan 0.000 0.443 302 Y N -0.489 119.913 120.300 0.169 0.000 2.751 302 Y HA 0.244 4.793 4.550 -0.001 0.000 0.289 302 Y C -0.808 175.271 175.900 0.298 0.000 1.110 302 Y CA -0.829 57.429 58.100 0.264 0.000 1.251 302 Y CB -0.233 38.413 38.460 0.311 0.000 1.178 302 Y HN 0.011 nan 8.280 nan 0.000 0.540 303 F N -1.418 118.637 119.950 0.175 0.000 3.048 303 F HA -0.318 4.208 4.527 -0.001 0.000 0.269 303 F C 0.320 176.162 175.800 0.071 0.000 0.960 303 F CA 0.254 58.309 58.000 0.091 0.000 0.909 303 F CB -1.476 37.526 39.000 0.003 0.000 0.837 303 F HN 0.062 nan 8.300 nan 0.000 0.768 304 M N 0.054 119.767 119.600 0.189 0.000 2.288 304 M HA 0.204 4.683 4.480 -0.001 0.000 0.334 304 M C 0.889 177.258 176.300 0.116 0.000 1.150 304 M CA -0.453 54.889 55.300 0.069 0.000 1.118 304 M CB 0.870 33.383 32.600 -0.145 0.000 1.501 304 M HN 0.041 nan 8.290 nan 0.000 0.462 305 K N 1.731 122.175 120.400 0.074 0.000 2.511 305 K HA 0.055 4.374 4.320 -0.001 0.000 0.280 305 K C -0.307 176.369 176.600 0.127 0.000 1.008 305 K CA 0.019 56.358 56.287 0.088 0.000 1.050 305 K CB 0.257 32.790 32.500 0.054 0.000 0.889 305 K HN 0.423 nan 8.250 nan 0.000 0.484 306 I N 2.540 123.188 120.570 0.130 0.000 2.668 306 I HA -0.062 4.107 4.170 -0.001 0.000 0.285 306 I C 1.557 177.761 176.117 0.146 0.000 1.168 306 I CA 1.015 62.408 61.300 0.156 0.000 1.424 306 I CB -0.328 37.751 38.000 0.132 0.000 1.377 306 I HN 1.025 nan 8.210 nan 0.000 0.560 307 G N 4.981 113.891 108.800 0.183 0.000 2.176 307 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.253 307 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.253 307 G C 1.112 176.036 174.900 0.040 0.000 0.979 307 G CA 0.603 45.790 45.100 0.145 0.000 0.641 307 G HN 0.828 nan 8.290 nan 0.000 0.530 308 A N -0.265 122.588 122.820 0.054 0.000 1.933 308 A HA 0.208 4.528 4.320 -0.001 0.000 0.218 308 A C 1.662 179.206 177.584 -0.066 0.000 1.175 308 A CA 2.277 54.316 52.037 0.002 0.000 0.628 308 A CB -0.379 18.634 19.000 0.022 0.000 0.814 308 A HN 1.448 nan 8.150 nan 0.000 0.444 309 Q N -0.745 118.996 119.800 -0.100 0.000 2.468 309 Q HA -0.176 4.163 4.340 -0.001 0.000 0.289 309 Q C -1.010 174.965 176.000 -0.041 0.000 1.299 309 Q CA 1.016 56.694 55.803 -0.208 0.000 0.838 309 Q CB -1.441 27.020 28.738 -0.461 0.000 1.195 309 Q HN 0.774 nan 8.270 nan 0.000 0.456 310 D N -1.365 119.069 120.400 0.056 0.000 2.926 310 D HA 0.077 4.716 4.640 -0.001 0.000 0.282 310 D C -0.838 175.407 176.300 -0.093 0.000 1.201 310 D CA -0.695 53.305 54.000 0.001 0.000 0.735 310 D CB 0.819 41.591 40.800 -0.046 0.000 1.257 310 D HN -0.007 nan 8.370 nan 0.000 0.428 311 K N 0.663 120.945 120.400 -0.197 0.000 3.129 311 K HA 0.256 4.575 4.320 -0.001 0.000 0.241 311 K C -0.308 176.130 176.600 -0.270 0.000 1.239 311 K CA -0.067 55.980 56.287 -0.399 0.000 1.239 311 K CB 0.152 32.379 32.500 -0.455 0.000 1.347 311 K HN 0.117 nan 8.250 nan 0.000 0.435 312 T N 3.318 117.764 114.554 -0.180 0.000 2.738 312 T HA 0.129 4.478 4.350 -0.001 0.000 0.293 312 T C -2.316 172.330 174.700 -0.089 0.000 0.913 312 T CA -1.562 60.473 62.100 -0.108 0.000 1.103 312 T CB 0.384 69.215 68.868 -0.061 0.000 0.880 312 T HN 0.079 nan 8.240 nan 0.000 0.526 313 P HA 0.373 nan 4.420 nan 0.000 0.269 313 P C -0.837 176.463 177.300 0.000 0.000 1.215 313 P CA -0.443 62.639 63.100 -0.030 0.000 0.780 313 P CB 0.496 32.173 31.700 -0.038 0.000 0.898 314 A N 1.384 124.227 122.820 0.039 0.000 2.337 314 A HA 0.593 4.912 4.320 -0.001 0.000 0.331 314 A C 1.074 178.668 177.584 0.016 0.000 1.137 314 A CA -0.063 52.002 52.037 0.046 0.000 0.807 314 A CB 0.497 19.554 19.000 0.094 0.000 1.250 314 A HN 0.575 nan 8.150 nan 0.000 0.468 315 T N -0.672 113.888 114.554 0.010 0.000 3.044 315 T HA 0.337 4.686 4.350 -0.001 0.000 0.237 315 T C 1.361 176.043 174.700 -0.029 0.000 1.001 315 T CA 1.009 63.098 62.100 -0.019 0.000 1.160 315 T CB -0.542 68.320 68.868 -0.010 0.000 0.889 315 T HN 0.908 nan 8.240 nan 0.000 0.442 316 G N -0.170 108.643 108.800 0.020 0.000 3.380 316 G HA2 0.356 4.315 3.960 -0.001 0.000 0.188 316 G HA3 0.356 4.315 3.960 -0.001 0.000 0.188 316 G C -0.031 174.873 174.900 0.006 0.000 1.892 316 G CA -0.520 44.603 45.100 0.039 0.000 0.912 316 G HN 0.396 nan 8.290 nan 0.000 0.609 317 Y N 0.903 121.272 120.300 0.115 0.000 2.532 317 Y HA 0.203 4.752 4.550 -0.001 0.000 0.283 317 Y C 1.604 177.566 175.900 0.102 0.000 1.181 317 Y CA -0.197 57.999 58.100 0.161 0.000 1.256 317 Y CB 0.642 39.204 38.460 0.170 0.000 1.112 317 Y HN 0.192 nan 8.280 nan 0.000 0.521 318 D N -1.006 119.510 120.400 0.194 0.000 2.348 318 D HA -0.127 4.513 4.640 -0.001 0.000 0.216 318 D C 1.992 178.364 176.300 0.120 0.000 0.970 318 D CA 1.263 55.347 54.000 0.140 0.000 0.889 318 D CB 0.021 40.885 40.800 0.105 0.000 0.912 318 D HN 0.319 nan 8.370 nan 0.000 0.524 319 S N -0.767 115.028 115.700 0.158 0.000 2.548 319 S HA 0.281 4.750 4.470 -0.001 0.000 0.215 319 S C 1.046 175.675 174.600 0.048 0.000 0.976 319 S CA -0.371 57.934 58.200 0.175 0.000 0.908 319 S CB 0.232 63.605 63.200 0.289 0.000 0.781 319 S HN 0.134 nan 8.310 nan 0.000 0.519 320 A N 2.369 125.103 122.820 -0.143 0.000 2.396 320 A HA 0.494 4.813 4.320 -0.001 0.000 0.279 320 A C 0.790 177.940 177.584 -0.724 0.000 1.165 320 A CA -0.422 51.087 52.037 -0.881 0.000 0.824 320 A CB -0.181 17.992 19.000 -1.378 0.000 1.100 320 A HN 0.723 nan 8.150 nan 0.000 0.516 321 H N 0.380 119.158 119.070 -0.486 0.000 2.525 321 H HA 0.130 4.685 4.556 -0.001 0.000 0.275 321 H C -0.052 175.131 175.328 -0.242 0.000 0.984 321 H CA 0.674 56.555 56.048 -0.279 0.000 1.264 321 H CB -0.477 29.167 29.762 -0.197 0.000 1.432 321 H HN 0.762 nan 8.280 nan 0.000 0.549 322 Y N -1.240 118.874 120.300 -0.309 0.000 4.907 322 Y HA -0.231 4.318 4.550 -0.001 0.000 0.246 322 Y C -0.183 175.637 175.900 -0.134 0.000 0.968 322 Y CA 0.261 58.190 58.100 -0.285 0.000 1.961 322 Y CB -2.144 36.151 38.460 -0.275 0.000 1.487 322 Y HN 0.211 nan 8.280 nan 0.000 0.575 323 L N 0.145 121.464 121.223 0.160 0.000 2.400 323 L HA 0.482 4.821 4.340 -0.001 0.000 0.264 323 L C 0.715 177.634 176.870 0.082 0.000 1.061 323 L CA -1.224 53.622 54.840 0.010 0.000 0.799 323 L CB 0.388 42.249 42.059 -0.329 0.000 1.240 323 L HN -0.138 nan 8.230 nan 0.000 0.461 324 M N 1.902 121.554 119.600 0.086 0.000 2.264 324 M HA 0.277 4.757 4.480 -0.001 0.000 0.340 324 M C 0.257 176.623 176.300 0.109 0.000 1.420 324 M CA -0.271 55.116 55.300 0.145 0.000 1.254 324 M CB 0.091 32.816 32.600 0.208 0.000 1.575 324 M HN 0.680 nan 8.290 nan 0.000 0.452 325 A N 3.917 126.783 122.820 0.077 0.000 2.292 325 A HA 0.141 4.460 4.320 -0.001 0.000 0.265 325 A C 1.130 178.756 177.584 0.070 0.000 1.133 325 A CA -0.399 51.618 52.037 -0.032 0.000 0.807 325 A CB 0.187 19.146 19.000 -0.068 0.000 1.102 325 A HN 0.992 nan 8.150 nan 0.000 0.502 326 W N -0.754 120.398 121.300 -0.247 0.000 2.374 326 W HA -0.036 4.623 4.660 -0.001 0.000 0.288 326 W C -0.271 176.334 176.519 0.143 0.000 1.218 326 W CA 2.356 59.583 57.345 -0.196 0.000 1.245 326 W CB -0.077 29.253 29.460 -0.216 0.000 1.126 326 W HN 0.683 nan 8.180 nan 0.000 0.545 327 Y N -3.374 117.038 120.300 0.186 0.000 2.713 327 Y HA 0.525 5.075 4.550 -0.001 0.000 0.335 327 Y C -1.008 174.988 175.900 0.161 0.000 1.222 327 Y CA -1.375 56.812 58.100 0.144 0.000 1.061 327 Y CB 0.684 39.230 38.460 0.144 0.000 1.314 327 Y HN -0.410 nan 8.280 nan 0.000 0.453 328 T N 1.185 115.984 114.554 0.409 0.000 2.863 328 T HA 0.867 5.217 4.350 -0.001 0.000 0.285 328 T C -1.220 173.840 174.700 0.601 0.000 1.009 328 T CA -0.167 62.178 62.100 0.407 0.000 0.989 328 T CB 1.013 70.043 68.868 0.271 0.000 1.004 328 T HN 1.163 nan 8.240 nan 0.000 0.455 329 A N 3.352 126.541 122.820 0.614 0.000 2.475 329 A HA 0.887 5.206 4.320 -0.001 0.000 0.301 329 A C -1.738 176.093 177.584 0.412 0.000 1.059 329 A CA -0.935 51.440 52.037 0.564 0.000 0.710 329 A CB 1.124 20.413 19.000 0.481 0.000 1.288 329 A HN 0.979 nan 8.150 nan 0.000 0.408 330 W N 0.786 121.929 121.300 -0.262 0.000 3.213 330 W HA 0.775 5.435 4.660 -0.001 0.000 0.318 330 W C -0.272 175.628 176.519 -1.032 0.000 1.248 330 W CA -0.327 56.510 57.345 -0.848 0.000 1.187 330 W CB 0.941 30.196 29.460 -0.342 0.000 1.403 330 W HN 1.361 nan 8.180 nan 0.000 0.556 331 G N 0.212 107.871 108.800 -1.902 0.000 2.600 331 G HA2 0.731 4.690 3.960 -0.001 0.000 0.293 331 G HA3 0.731 4.690 3.960 -0.001 0.000 0.293 331 G C -1.234 172.565 174.900 -1.834 0.000 1.408 331 G CA -0.173 43.813 45.100 -1.857 0.000 0.782 331 G HN 1.458 nan 8.290 nan 0.000 0.482 332 G N -1.842 105.515 108.800 -2.405 0.000 2.608 332 G HA2 0.713 4.673 3.960 -0.001 0.000 0.291 332 G HA3 0.713 4.673 3.960 -0.001 0.000 0.291 332 G C -0.045 173.761 174.900 -1.824 0.000 1.425 332 G CA 0.294 44.416 45.100 -1.631 0.000 0.787 332 G HN 1.368 nan 8.290 nan 0.000 0.484 333 G N -1.145 106.364 108.800 -2.152 0.000 2.491 333 G HA2 0.432 4.392 3.960 -0.001 0.000 0.242 333 G HA3 0.432 4.392 3.960 -0.001 0.000 0.242 333 G C 0.781 175.437 174.900 -0.408 0.000 1.266 333 G CA -0.398 43.962 45.100 -1.234 0.000 0.844 333 G HN 0.514 nan 8.290 nan 0.000 0.571 334 I N 1.665 122.163 120.570 -0.121 0.000 2.429 334 I HA 0.058 4.227 4.170 -0.001 0.000 0.247 334 I C 2.693 178.830 176.117 0.035 0.000 1.099 334 I CA 0.962 62.289 61.300 0.046 0.000 1.422 334 I CB -0.372 37.658 38.000 0.050 0.000 1.112 334 I HN 0.623 nan 8.210 nan 0.000 0.430 335 G N 0.940 109.766 108.800 0.043 0.000 2.707 335 G HA2 0.039 3.998 3.960 -0.001 0.000 0.192 335 G HA3 0.039 3.998 3.960 -0.001 0.000 0.192 335 G C 0.704 175.660 174.900 0.092 0.000 1.471 335 G CA 0.500 45.646 45.100 0.077 0.000 0.865 335 G HN 0.437 nan 8.290 nan 0.000 0.529 336 A N -0.254 122.661 122.820 0.159 0.000 2.425 336 A HA 0.488 4.807 4.320 -0.001 0.000 0.242 336 A C 0.805 178.483 177.584 0.157 0.000 1.077 336 A CA 0.560 52.715 52.037 0.196 0.000 0.781 336 A CB 0.087 19.255 19.000 0.280 0.000 1.020 336 A HN 1.257 nan 8.150 nan 0.000 0.494 337 S N 2.933 118.726 115.700 0.155 0.000 2.411 337 S HA 0.606 5.075 4.470 -0.001 0.000 0.294 337 S C -0.407 174.325 174.600 0.219 0.000 1.115 337 S CA -0.586 57.668 58.200 0.090 0.000 1.071 337 S CB -0.215 63.047 63.200 0.102 0.000 0.967 337 S HN 0.999 nan 8.310 nan 0.000 0.488 338 W N 0.540 121.915 121.300 0.126 0.000 3.074 338 W HA 0.800 5.459 4.660 -0.001 0.000 0.332 338 W C -1.340 175.267 176.519 0.146 0.000 1.253 338 W CA -1.342 56.080 57.345 0.128 0.000 1.180 338 W CB 1.156 30.685 29.460 0.114 0.000 1.445 338 W HN 0.855 nan 8.180 nan 0.000 0.573 339 A N 1.692 124.815 122.820 0.505 0.000 2.612 339 A HA 0.873 5.192 4.320 -0.001 0.000 0.293 339 A C -1.758 176.179 177.584 0.587 0.000 1.075 339 A CA -0.766 51.484 52.037 0.356 0.000 0.680 339 A CB 1.620 20.764 19.000 0.239 0.000 1.279 339 A HN 1.087 nan 8.150 nan 0.000 0.411 340 W N 0.823 122.363 121.300 0.400 0.000 3.118 340 W HA 0.819 5.478 4.660 -0.001 0.000 0.328 340 W C -1.562 175.212 176.519 0.424 0.000 1.239 340 W CA -0.728 56.889 57.345 0.453 0.000 1.176 340 W CB 1.388 31.053 29.460 0.341 0.000 1.433 340 W HN 0.962 nan 8.180 nan 0.000 0.562 341 K N 2.550 123.343 120.400 0.655 0.000 2.525 341 K HA 0.585 4.904 4.320 -0.001 0.000 0.254 341 K C -1.422 175.560 176.600 0.637 0.000 0.934 341 K CA -0.552 55.971 56.287 0.394 0.000 0.802 341 K CB 2.637 35.164 32.500 0.044 0.000 1.295 341 K HN 0.656 nan 8.250 nan 0.000 0.433 342 I N -0.037 120.856 120.570 0.538 0.000 2.740 342 I HA 0.677 4.846 4.170 -0.001 0.000 0.303 342 I C 0.246 176.456 176.117 0.155 0.000 1.044 342 I CA -0.909 60.590 61.300 0.331 0.000 1.064 342 I CB 2.113 40.272 38.000 0.265 0.000 1.249 342 I HN 0.656 nan 8.210 nan 0.000 0.433 343 G N 1.777 110.495 108.800 -0.137 0.000 2.829 343 G HA2 0.512 4.472 3.960 -0.001 0.000 0.173 343 G HA3 0.512 4.472 3.960 -0.001 0.000 0.173 343 G C -1.082 173.639 174.900 -0.299 0.000 1.476 343 G CA -0.432 44.564 45.100 -0.174 0.000 1.072 343 G HN 0.846 nan 8.290 nan 0.000 0.577 344 C N -1.969 117.128 119.300 -0.338 0.000 3.082 344 C HA 0.654 5.113 4.460 -0.001 0.000 0.324 344 C C 1.256 176.061 174.990 -0.308 0.000 1.210 344 C CA -0.197 58.496 59.018 -0.542 0.000 1.366 344 C CB 1.117 28.314 27.740 -0.905 0.000 1.756 344 C HN 0.542 nan 8.230 nan 0.000 0.485 345 S N 1.230 116.671 115.700 -0.433 0.000 2.524 345 S HA 0.177 4.646 4.470 -0.001 0.000 0.216 345 S C 0.128 174.628 174.600 -0.167 0.000 0.987 345 S CA 0.294 58.342 58.200 -0.252 0.000 0.909 345 S CB -0.254 62.753 63.200 -0.321 0.000 0.781 345 S HN 0.804 nan 8.310 nan 0.000 0.521 346 H N 1.194 120.103 119.070 -0.268 0.000 2.458 346 H HA 0.730 5.285 4.556 -0.001 0.000 0.330 346 H C -0.202 174.974 175.328 -0.254 0.000 1.111 346 H CA -1.233 54.652 56.048 -0.272 0.000 1.245 346 H CB 1.024 30.590 29.762 -0.328 0.000 1.456 346 H HN 0.150 nan 8.280 nan 0.000 0.488 347 A N 3.158 125.926 122.820 -0.086 0.000 2.374 347 A HA 0.397 4.716 4.320 -0.001 0.000 0.305 347 A C -1.212 176.426 177.584 0.090 0.000 1.053 347 A CA -0.582 51.406 52.037 -0.082 0.000 0.726 347 A CB 1.386 20.192 19.000 -0.325 0.000 1.229 347 A HN 0.772 nan 8.150 nan 0.000 0.431 348 H N 2.942 122.017 119.070 0.009 0.000 2.538 348 H HA 0.363 4.919 4.556 -0.001 0.000 0.353 348 H C 0.609 175.940 175.328 0.004 0.000 1.109 348 H CA -0.662 55.351 56.048 -0.059 0.000 1.192 348 H CB 1.266 30.907 29.762 -0.203 0.000 1.555 348 H HN 0.723 nan 8.280 nan 0.000 0.518 349 F N 3.308 123.205 119.950 -0.088 0.000 2.202 349 F HA -0.003 4.523 4.527 -0.001 0.000 0.301 349 F C 1.768 177.604 175.800 0.060 0.000 1.082 349 F CA 1.474 59.347 58.000 -0.213 0.000 1.313 349 F CB -0.590 38.054 39.000 -0.593 0.000 1.024 349 F HN 0.533 nan 8.300 nan 0.000 0.495 350 G N -1.475 106.823 108.800 -0.837 0.000 2.586 350 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.215 350 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.215 350 G C 0.841 175.787 174.900 0.078 0.000 1.128 350 G CA 0.607 45.341 45.100 -0.609 0.000 0.774 350 G HN 0.525 nan 8.290 nan 0.000 0.543 351 Y N -0.302 119.918 120.300 -0.134 0.000 2.445 351 Y HA 0.288 4.837 4.550 -0.001 0.000 0.247 351 Y C 1.038 176.964 175.900 0.044 0.000 1.129 351 Y CA -0.764 57.310 58.100 -0.044 0.000 1.251 351 Y CB 0.362 38.778 38.460 -0.073 0.000 1.176 351 Y HN 0.067 nan 8.280 nan 0.000 0.522 352 Q N 0.877 120.808 119.800 0.219 0.000 2.373 352 Q HA 0.112 4.451 4.340 -0.001 0.000 0.255 352 Q C -0.146 176.020 176.000 0.275 0.000 0.980 352 Q CA 0.241 56.193 55.803 0.250 0.000 0.882 352 Q CB 0.629 29.509 28.738 0.236 0.000 1.249 352 Q HN 0.124 nan 8.270 nan 0.000 0.438 353 N N 2.218 121.072 118.700 0.256 0.000 2.725 353 N HA 0.173 4.912 4.740 -0.001 0.000 0.248 353 N C -2.285 173.336 175.510 0.185 0.000 1.402 353 N CA -1.504 51.664 53.050 0.197 0.000 0.766 353 N CB 1.018 39.563 38.487 0.096 0.000 1.223 353 N HN 0.113 nan 8.380 nan 0.000 0.515 354 P HA -0.106 nan 4.420 nan 0.000 0.222 354 P C 1.379 178.686 177.300 0.012 0.000 1.147 354 P CA 0.603 63.761 63.100 0.098 0.000 0.790 354 P CB 0.176 31.839 31.700 -0.061 0.000 0.780 355 F N 1.571 121.490 119.950 -0.052 0.000 2.060 355 F HA -0.144 4.382 4.527 -0.001 0.000 0.295 355 F C 2.608 178.344 175.800 -0.107 0.000 1.120 355 F CA 1.566 59.547 58.000 -0.032 0.000 1.205 355 F CB -0.829 38.154 39.000 -0.029 0.000 0.986 355 F HN -0.184 nan 8.300 nan 0.000 0.470 356 Q N 0.911 120.635 119.800 -0.128 0.000 2.096 356 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 356 Q C 2.353 178.008 176.000 -0.574 0.000 0.982 356 Q CA 1.945 57.519 55.803 -0.380 0.000 0.850 356 Q CB -1.153 27.443 28.738 -0.236 0.000 0.901 356 Q HN 0.557 nan 8.270 nan 0.000 0.422 357 G N 0.233 108.810 108.800 -0.372 0.000 2.491 357 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.218 357 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.218 357 G C 1.147 175.901 174.900 -0.244 0.000 1.180 357 G CA 0.926 45.862 45.100 -0.273 0.000 0.774 357 G HN 0.641 nan 8.290 nan 0.000 0.562 358 W N 0.996 121.935 121.300 -0.600 0.000 2.374 358 W HA -0.060 4.599 4.660 -0.001 0.000 0.288 358 W C 2.353 178.437 176.519 -0.724 0.000 1.218 358 W CA 1.599 58.396 57.345 -0.913 0.000 1.245 358 W CB -0.138 28.720 29.460 -1.004 0.000 1.126 358 W HN 0.047 nan 8.180 nan 0.000 0.545 359 V N 1.053 120.431 119.914 -0.893 0.000 2.295 359 V HA -0.335 3.784 4.120 -0.001 0.000 0.246 359 V C 2.449 178.073 176.094 -0.783 0.000 1.049 359 V CA 2.510 64.152 62.300 -1.096 0.000 1.024 359 V CB -1.274 29.851 31.823 -1.164 0.000 0.648 359 V HN 0.323 nan 8.190 nan 0.000 0.447 360 S N 0.837 116.121 115.700 -0.693 0.000 2.436 360 S HA 0.009 4.478 4.470 -0.001 0.000 0.228 360 S C 2.090 176.522 174.600 -0.281 0.000 1.014 360 S CA 0.964 58.873 58.200 -0.485 0.000 0.950 360 S CB -0.385 62.405 63.200 -0.683 0.000 0.784 360 S HN 0.567 nan 8.310 nan 0.000 0.504 361 A N 2.033 124.706 122.820 -0.245 0.000 1.930 361 A HA -0.021 4.299 4.320 -0.001 0.000 0.217 361 A C 2.397 179.881 177.584 -0.168 0.000 1.175 361 A CA 1.926 53.944 52.037 -0.032 0.000 0.627 361 A CB -0.848 18.284 19.000 0.220 0.000 0.815 361 A HN 0.680 nan 8.150 nan 0.000 0.443 362 T N -5.066 109.219 114.554 -0.448 0.000 2.964 362 T HA 0.169 4.518 4.350 -0.001 0.000 0.250 362 T C 0.454 174.901 174.700 -0.423 0.000 0.982 362 T CA -0.284 61.542 62.100 -0.456 0.000 0.959 362 T CB 0.037 68.472 68.868 -0.721 0.000 1.141 362 T HN 0.185 nan 8.240 nan 0.000 0.494 363 Q N 1.926 121.436 119.800 -0.483 0.000 2.296 363 Q HA 0.430 4.770 4.340 -0.001 0.000 0.257 363 Q C 1.032 176.964 176.000 -0.113 0.000 0.942 363 Q CA -0.099 55.528 55.803 -0.293 0.000 0.939 363 Q CB 1.771 30.344 28.738 -0.276 0.000 1.198 363 Q HN 0.297 nan 8.270 nan 0.000 0.429 364 S N 2.989 118.628 115.700 -0.102 0.000 2.372 364 S HA -0.198 4.271 4.470 -0.001 0.000 0.227 364 S C 0.901 175.437 174.600 -0.107 0.000 1.044 364 S CA 1.829 59.974 58.200 -0.091 0.000 1.050 364 S CB 0.172 63.319 63.200 -0.089 0.000 0.901 364 S HN 0.556 nan 8.310 nan 0.000 0.447 365 D N -0.578 119.745 120.400 -0.129 0.000 2.310 365 D HA 0.007 4.646 4.640 -0.001 0.000 0.212 365 D C 0.617 176.629 176.300 -0.481 0.000 0.965 365 D CA 0.749 54.563 54.000 -0.311 0.000 0.879 365 D CB -0.109 40.436 40.800 -0.426 0.000 0.921 365 D HN 0.495 nan 8.370 nan 0.000 0.510 366 F N 0.359 120.198 119.950 -0.185 0.000 2.654 366 F HA 0.332 4.858 4.527 -0.001 0.000 0.303 366 F C 0.886 176.591 175.800 -0.159 0.000 1.099 366 F CA -0.613 57.276 58.000 -0.186 0.000 1.270 366 F CB 0.178 39.035 39.000 -0.240 0.000 1.024 366 F HN -0.261 nan 8.300 nan 0.000 0.548 367 A N 1.868 124.675 122.820 -0.022 0.000 2.545 367 A HA 0.231 4.550 4.320 -0.001 0.000 0.253 367 A C -2.120 175.471 177.584 0.011 0.000 1.074 367 A CA -0.981 51.044 52.037 -0.021 0.000 0.760 367 A CB -0.701 18.271 19.000 -0.047 0.000 1.005 367 A HN 0.009 nan 8.150 nan 0.000 0.506 368 P HA 0.044 nan 4.420 nan 0.000 0.262 368 P C 0.535 177.870 177.300 0.058 0.000 1.182 368 P CA 0.089 63.260 63.100 0.119 0.000 0.761 368 P CB 0.539 32.339 31.700 0.166 0.000 0.795 369 K N 1.701 122.140 120.400 0.065 0.000 2.147 369 K HA -0.075 4.244 4.320 -0.001 0.000 0.205 369 K C 0.884 177.371 176.600 -0.188 0.000 1.049 369 K CA 0.915 57.137 56.287 -0.109 0.000 0.936 369 K CB -0.581 31.769 32.500 -0.249 0.000 0.722 369 K HN 0.659 nan 8.250 nan 0.000 0.446 370 S N -0.561 115.041 115.700 -0.164 0.000 2.572 370 S HA -0.041 4.428 4.470 -0.001 0.000 0.267 370 S C 1.310 175.869 174.600 -0.068 0.000 1.361 370 S CA 0.099 58.212 58.200 -0.145 0.000 1.009 370 S CB 1.332 64.497 63.200 -0.059 0.000 0.888 370 S HN 0.284 nan 8.310 nan 0.000 0.553 371 S N 1.104 116.769 115.700 -0.058 0.000 2.470 371 S HA 0.024 4.493 4.470 -0.001 0.000 0.225 371 S C 0.901 175.499 174.600 -0.003 0.000 1.006 371 S CA 0.586 58.767 58.200 -0.032 0.000 0.934 371 S CB -0.599 62.581 63.200 -0.034 0.000 0.778 371 S HN 0.742 nan 8.310 nan 0.000 0.517 372 N N 0.595 119.306 118.700 0.018 0.000 2.197 372 N HA 0.306 5.046 4.740 -0.001 0.000 0.201 372 N C 1.588 177.130 175.510 0.054 0.000 1.148 372 N CA 0.627 53.699 53.050 0.037 0.000 0.883 372 N CB -0.120 38.413 38.487 0.077 0.000 1.012 372 N HN 0.438 nan 8.380 nan 0.000 0.507 373 G N 1.361 110.209 108.800 0.080 0.000 2.446 373 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.217 373 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.217 373 G C 1.469 176.491 174.900 0.204 0.000 1.168 373 G CA 1.056 46.245 45.100 0.149 0.000 0.771 373 G HN 0.324 nan 8.290 nan 0.000 0.551 374 K N 0.380 120.866 120.400 0.144 0.000 2.074 374 K HA -0.153 4.166 4.320 -0.001 0.000 0.209 374 K C 2.505 179.168 176.600 0.106 0.000 1.048 374 K CA 1.536 57.899 56.287 0.127 0.000 0.926 374 K CB -0.231 32.301 32.500 0.052 0.000 0.713 374 K HN 0.291 nan 8.250 nan 0.000 0.444 375 R N 0.335 120.859 120.500 0.040 0.000 2.066 375 R HA -0.140 4.199 4.340 -0.001 0.000 0.232 375 R C 1.405 177.670 176.300 -0.059 0.000 1.131 375 R CA 2.034 58.121 56.100 -0.022 0.000 0.955 375 R CB -0.231 30.031 30.300 -0.063 0.000 0.851 375 R HN 0.286 nan 8.270 nan 0.000 0.432 376 D N -0.281 120.086 120.400 -0.055 0.000 2.097 376 D HA -0.191 4.448 4.640 -0.001 0.000 0.195 376 D C 1.721 177.954 176.300 -0.112 0.000 0.989 376 D CA 1.227 55.164 54.000 -0.105 0.000 0.827 376 D CB -0.542 40.211 40.800 -0.078 0.000 0.966 376 D HN 0.352 nan 8.370 nan 0.000 0.456 377 W N 1.297 122.617 121.300 0.033 0.000 2.358 377 W HA -0.171 4.488 4.660 -0.001 0.000 0.303 377 W C 2.623 179.183 176.519 0.068 0.000 1.208 377 W CA 1.269 58.649 57.345 0.058 0.000 1.274 377 W CB -0.551 28.941 29.460 0.053 0.000 1.138 377 W HN -0.080 nan 8.180 nan 0.000 0.515 378 T N -0.490 114.209 114.554 0.241 0.000 2.699 378 T HA -0.230 4.119 4.350 -0.001 0.000 0.268 378 T C 1.522 176.100 174.700 -0.203 0.000 1.036 378 T CA 2.075 64.223 62.100 0.081 0.000 1.147 378 T CB -0.684 68.205 68.868 0.035 0.000 0.862 378 T HN 0.120 nan 8.240 nan 0.000 0.446 379 T N 1.077 115.486 114.554 -0.242 0.000 2.812 379 T HA -0.063 4.286 4.350 -0.001 0.000 0.264 379 T C 2.329 176.788 174.700 -0.403 0.000 1.042 379 T CA 1.312 63.138 62.100 -0.457 0.000 1.140 379 T CB -0.395 68.008 68.868 -0.775 0.000 0.870 379 T HN 0.341 nan 8.240 nan 0.000 0.445 380 S N 0.724 116.308 115.700 -0.194 0.000 2.343 380 S HA -0.152 4.317 4.470 -0.001 0.000 0.219 380 S C 2.050 176.711 174.600 0.101 0.000 1.033 380 S CA 1.844 60.038 58.200 -0.010 0.000 1.014 380 S CB -0.628 62.584 63.200 0.020 0.000 0.915 380 S HN 0.729 nan 8.310 nan 0.000 0.435 381 Y N 1.385 121.796 120.300 0.184 0.000 2.165 381 Y HA -0.075 4.475 4.550 -0.001 0.000 0.286 381 Y C 2.009 177.924 175.900 0.026 0.000 1.155 381 Y CA 1.759 59.934 58.100 0.125 0.000 1.164 381 Y CB -0.628 37.907 38.460 0.125 0.000 0.978 381 Y HN 0.161 nan 8.280 nan 0.000 0.513 382 K N 0.075 120.119 120.400 -0.593 0.000 2.057 382 K HA -0.202 4.117 4.320 -0.001 0.000 0.207 382 K C 2.250 178.783 176.600 -0.112 0.000 1.049 382 K CA 1.596 57.662 56.287 -0.368 0.000 0.931 382 K CB -0.259 31.986 32.500 -0.426 0.000 0.714 382 K HN 0.188 nan 8.250 nan 0.000 0.440 383 R N 1.950 122.367 120.500 -0.138 0.000 2.081 383 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 383 R C 1.984 178.332 176.300 0.080 0.000 1.131 383 R CA 1.665 57.711 56.100 -0.091 0.000 0.960 383 R CB -0.298 29.887 30.300 -0.191 0.000 0.856 383 R HN 0.272 nan 8.270 nan 0.000 0.436 384 Q N -0.161 119.707 119.800 0.113 0.000 2.084 384 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 384 Q C 2.193 178.391 176.000 0.330 0.000 0.978 384 Q CA 1.706 57.646 55.803 0.227 0.000 0.844 384 Q CB -0.203 28.702 28.738 0.278 0.000 0.898 384 Q HN 0.326 nan 8.270 nan 0.000 0.426 385 L N 0.770 122.119 121.223 0.210 0.000 2.127 385 L HA -0.225 4.114 4.340 -0.001 0.000 0.211 385 L C 2.084 179.063 176.870 0.181 0.000 1.089 385 L CA 1.245 56.179 54.840 0.157 0.000 0.757 385 L CB -0.325 41.737 42.059 0.005 0.000 0.899 385 L HN 0.265 nan 8.230 nan 0.000 0.434 386 E N -0.817 119.495 120.200 0.187 0.000 2.152 386 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 386 E C 1.983 178.531 176.600 -0.086 0.000 0.983 386 E CA 0.727 57.198 56.400 0.119 0.000 0.818 386 E CB -0.074 29.818 29.700 0.321 0.000 0.758 386 E HN 0.299 nan 8.360 nan 0.000 0.467 387 F N 0.818 120.653 119.950 -0.191 0.000 2.069 387 F HA -0.250 4.276 4.527 -0.001 0.000 0.298 387 F C 1.757 177.344 175.800 -0.355 0.000 1.113 387 F CA 1.428 59.092 58.000 -0.560 0.000 1.214 387 F CB -0.687 38.048 39.000 -0.441 0.000 0.978 387 F HN 0.017 nan 8.300 nan 0.000 0.474 388 Y N 0.481 120.656 120.300 -0.208 0.000 2.114 388 Y HA -0.325 4.224 4.550 -0.001 0.000 0.282 388 Y C 2.702 178.382 175.900 -0.367 0.000 1.165 388 Y CA 2.164 60.081 58.100 -0.304 0.000 1.148 388 Y CB -0.927 37.425 38.460 -0.180 0.000 0.972 388 Y HN 0.184 nan 8.280 nan 0.000 0.504 389 Q N -1.622 118.102 119.800 -0.126 0.000 2.050 389 Q HA -0.260 4.080 4.340 -0.001 0.000 0.202 389 Q C 2.056 177.941 176.000 -0.191 0.000 0.980 389 Q CA 1.770 57.438 55.803 -0.225 0.000 0.840 389 Q CB -0.621 28.086 28.738 -0.053 0.000 0.898 389 Q HN 0.655 nan 8.270 nan 0.000 0.424 390 W N 1.197 122.171 121.300 -0.543 0.000 2.338 390 W HA -0.145 4.514 4.660 -0.001 0.000 0.304 390 W C 1.179 177.531 176.519 -0.278 0.000 1.212 390 W CA 1.226 58.360 57.345 -0.352 0.000 1.264 390 W CB -0.187 28.927 29.460 -0.576 0.000 1.142 390 W HN 0.043 nan 8.180 nan 0.000 0.512 391 L N 0.719 121.555 121.223 -0.645 0.000 2.610 391 L HA 0.015 4.354 4.340 -0.001 0.000 0.232 391 L C 1.314 177.823 176.870 -0.603 0.000 1.149 391 L CA 0.262 54.576 54.840 -0.876 0.000 0.872 391 L CB -0.842 40.621 42.059 -0.992 0.000 0.992 391 L HN -0.069 nan 8.230 nan 0.000 0.447 392 Q N 1.702 121.270 119.800 -0.385 0.000 2.307 392 Q HA 0.115 4.454 4.340 -0.001 0.000 0.261 392 Q C 0.504 176.429 176.000 -0.125 0.000 1.051 392 Q CA -0.359 55.284 55.803 -0.268 0.000 0.911 392 Q CB 0.783 29.325 28.738 -0.327 0.000 1.227 392 Q HN 0.378 nan 8.270 nan 0.000 0.418 393 S N 2.888 118.485 115.700 -0.173 0.000 2.572 393 S HA 0.110 4.579 4.470 -0.001 0.000 0.267 393 S C 1.182 175.706 174.600 -0.126 0.000 1.361 393 S CA -0.063 58.046 58.200 -0.152 0.000 1.009 393 S CB 1.051 64.186 63.200 -0.109 0.000 0.888 393 S HN 0.754 nan 8.310 nan 0.000 0.553 394 A N 0.750 123.456 122.820 -0.189 0.000 2.024 394 A HA -0.063 4.256 4.320 -0.001 0.000 0.220 394 A C 1.987 179.525 177.584 -0.077 0.000 1.164 394 A CA 1.757 53.711 52.037 -0.137 0.000 0.643 394 A CB -0.963 17.892 19.000 -0.241 0.000 0.806 394 A HN 0.887 nan 8.150 nan 0.000 0.451 395 E N -1.937 118.183 120.200 -0.133 0.000 2.122 395 E HA 0.278 4.627 4.350 -0.001 0.000 0.190 395 E C 1.540 178.000 176.600 -0.233 0.000 0.977 395 E CA 1.204 57.531 56.400 -0.122 0.000 0.820 395 E CB -0.045 29.576 29.700 -0.132 0.000 0.770 395 E HN 0.671 nan 8.360 nan 0.000 0.462 396 G N -0.698 107.844 108.800 -0.429 0.000 2.901 396 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.194 396 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.194 396 G C 0.656 175.260 174.900 -0.494 0.000 1.020 396 G CA -0.343 44.556 45.100 -0.335 0.000 0.787 396 G HN 0.510 nan 8.290 nan 0.000 0.477 397 G N 0.724 108.728 108.800 -1.326 0.000 2.594 397 G HA2 0.477 4.436 3.960 -0.001 0.000 0.243 397 G HA3 0.477 4.436 3.960 -0.001 0.000 0.243 397 G C 0.145 174.885 174.900 -0.267 0.000 1.229 397 G CA -0.114 44.359 45.100 -1.045 0.000 0.843 397 G HN 0.403 nan 8.290 nan 0.000 0.578 398 I N 1.401 121.843 120.570 -0.213 0.000 2.315 398 I HA 0.370 4.540 4.170 -0.001 0.000 0.291 398 I C 1.044 176.614 176.117 -0.912 0.000 1.006 398 I CA -1.053 59.831 61.300 -0.693 0.000 1.265 398 I CB 0.404 37.626 38.000 -1.297 0.000 1.387 398 I HN 0.545 nan 8.210 nan 0.000 0.475 399 A N 4.850 127.081 122.820 -0.983 0.000 2.346 399 A HA 0.513 4.832 4.320 -0.001 0.000 0.255 399 A C 1.462 178.444 177.584 -1.002 0.000 1.113 399 A CA 0.377 51.579 52.037 -1.391 0.000 0.798 399 A CB -0.217 18.209 19.000 -0.957 0.000 1.073 399 A HN 0.904 nan 8.150 nan 0.000 0.502 400 G N -1.021 107.195 108.800 -0.973 0.000 2.453 400 G HA2 0.360 4.320 3.960 -0.001 0.000 0.215 400 G HA3 0.360 4.320 3.960 -0.001 0.000 0.215 400 G C 0.894 175.378 174.900 -0.694 0.000 1.201 400 G CA 1.493 46.095 45.100 -0.829 0.000 0.784 400 G HN 2.038 nan 8.290 nan 0.000 0.545 401 G N -1.692 106.774 108.800 -0.557 0.000 2.534 401 G HA2 0.593 4.552 3.960 -0.001 0.000 0.142 401 G HA3 0.593 4.552 3.960 -0.001 0.000 0.142 401 G C -1.319 173.604 174.900 0.037 0.000 1.178 401 G CA 0.370 45.330 45.100 -0.234 0.000 1.037 401 G HN 1.573 nan 8.290 nan 0.000 0.474 402 A N -1.713 121.203 122.820 0.160 0.000 2.597 402 A HA 0.902 5.221 4.320 -0.001 0.000 0.292 402 A C -0.776 176.835 177.584 0.045 0.000 1.057 402 A CA 0.689 52.849 52.037 0.205 0.000 0.674 402 A CB 1.382 20.685 19.000 0.506 0.000 1.278 402 A HN 1.904 nan 8.150 nan 0.000 0.416 403 T N -0.542 114.041 114.554 0.050 0.000 2.909 403 T HA 0.489 4.838 4.350 -0.001 0.000 0.299 403 T C 0.183 174.985 174.700 0.168 0.000 1.073 403 T CA -0.259 61.888 62.100 0.077 0.000 0.999 403 T CB 1.533 70.377 68.868 -0.040 0.000 1.098 403 T HN 0.689 nan 8.240 nan 0.000 0.477 404 N N 1.635 120.449 118.700 0.190 0.000 2.280 404 N HA 0.194 4.933 4.740 -0.001 0.000 0.192 404 N C -0.242 175.422 175.510 0.258 0.000 1.109 404 N CA 0.038 53.253 53.050 0.275 0.000 0.855 404 N CB 0.535 39.174 38.487 0.252 0.000 0.974 404 N HN 0.352 nan 8.380 nan 0.000 0.482 405 S N 0.396 116.150 115.700 0.090 0.000 2.395 405 S HA 0.145 4.614 4.470 -0.001 0.000 0.207 405 S C -1.196 173.461 174.600 0.096 0.000 1.454 405 S CA -0.768 57.311 58.200 -0.201 0.000 1.211 405 S CB -0.365 62.266 63.200 -0.950 0.000 1.093 405 S HN 0.283 nan 8.310 nan 0.000 0.472 406 W N 4.306 125.661 121.300 0.092 0.000 2.257 406 W HA -0.002 4.657 4.660 -0.001 0.000 0.337 406 W C 0.235 176.760 176.519 0.011 0.000 1.321 406 W CA 0.636 58.024 57.345 0.072 0.000 1.267 406 W CB 0.086 29.679 29.460 0.221 0.000 1.187 406 W HN 0.811 nan 8.180 nan 0.000 0.565 407 N N 2.660 121.003 118.700 -0.595 0.000 2.650 407 N HA -0.237 4.502 4.740 -0.001 0.000 0.249 407 N C 0.922 176.315 175.510 -0.195 0.000 1.155 407 N CA 2.150 54.962 53.050 -0.397 0.000 0.747 407 N CB -1.503 36.844 38.487 -0.233 0.000 1.132 407 N HN 0.895 nan 8.380 nan 0.000 0.564 408 G N -0.911 107.814 108.800 -0.126 0.000 2.179 408 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.260 408 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.260 408 G C 0.632 175.477 174.900 -0.093 0.000 0.977 408 G CA 0.662 45.710 45.100 -0.087 0.000 0.641 408 G HN 0.557 nan 8.290 nan 0.000 0.533 409 R N -1.181 119.316 120.500 -0.005 0.000 2.629 409 R HA 0.374 4.713 4.340 -0.001 0.000 0.408 409 R C 0.200 176.706 176.300 0.344 0.000 1.057 409 R CA -0.464 55.748 56.100 0.187 0.000 1.119 409 R CB 0.340 30.709 30.300 0.116 0.000 1.403 409 R HN 0.457 nan 8.270 nan 0.000 0.576 410 Y N 0.822 121.254 120.300 0.220 0.000 3.168 410 Y HA -0.310 4.239 4.550 -0.001 0.000 0.207 410 Y C -0.053 175.947 175.900 0.166 0.000 1.280 410 Y CA 0.414 58.636 58.100 0.203 0.000 1.235 410 Y CB -2.032 36.511 38.460 0.139 0.000 1.370 410 Y HN 0.250 nan 8.280 nan 0.000 0.537 411 E N 0.296 120.694 120.200 0.330 0.000 2.342 411 E HA 0.496 4.845 4.350 -0.001 0.000 0.257 411 E C 0.691 177.394 176.600 0.172 0.000 1.150 411 E CA -0.209 56.347 56.400 0.260 0.000 0.926 411 E CB 0.424 30.322 29.700 0.330 0.000 1.074 411 E HN 0.342 nan 8.360 nan 0.000 0.449 412 K N 1.289 121.717 120.400 0.045 0.000 2.436 412 K HA 0.021 4.340 4.320 -0.001 0.000 0.275 412 K C -0.619 175.896 176.600 -0.142 0.000 0.999 412 K CA 0.172 56.399 56.287 -0.101 0.000 0.980 412 K CB -0.235 32.219 32.500 -0.076 0.000 0.919 412 K HN 0.279 nan 8.250 nan 0.000 0.484 413 Y N 1.478 121.595 120.300 -0.304 0.000 2.425 413 Y HA 0.235 4.784 4.550 -0.001 0.000 0.331 413 Y C -1.552 174.039 175.900 -0.514 0.000 1.157 413 Y CA -2.567 55.139 58.100 -0.656 0.000 1.372 413 Y CB -0.158 38.031 38.460 -0.451 0.000 1.253 413 Y HN 0.538 nan 8.280 nan 0.000 0.536 414 P HA 0.041 nan 4.420 nan 0.000 0.267 414 P C -0.601 176.632 177.300 -0.110 0.000 1.195 414 P CA -0.019 62.956 63.100 -0.207 0.000 0.773 414 P CB 0.511 32.106 31.700 -0.174 0.000 0.837 415 A N 2.299 125.093 122.820 -0.044 0.000 2.498 415 A HA 0.422 4.741 4.320 -0.001 0.000 0.239 415 A C 1.450 179.031 177.584 -0.005 0.000 1.068 415 A CA 0.566 52.594 52.037 -0.015 0.000 0.766 415 A CB -1.160 17.840 19.000 -0.000 0.000 1.003 415 A HN 0.934 nan 8.150 nan 0.000 0.497 416 G N 1.575 110.381 108.800 0.010 0.000 2.147 416 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.244 416 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.244 416 G C 0.319 175.239 174.900 0.033 0.000 1.005 416 G CA 0.500 45.615 45.100 0.025 0.000 0.713 416 G HN 1.178 nan 8.290 nan 0.000 0.515 417 T N 1.781 116.345 114.554 0.017 0.000 2.723 417 T HA 0.521 4.870 4.350 -0.001 0.000 0.297 417 T C 0.921 175.676 174.700 0.091 0.000 0.925 417 T CA 0.507 62.614 62.100 0.013 0.000 1.030 417 T CB 0.994 69.779 68.868 -0.138 0.000 0.905 417 T HN 1.083 nan 8.240 nan 0.000 0.502 418 S N 3.663 119.456 115.700 0.156 0.000 2.576 418 S HA 0.522 4.991 4.470 -0.001 0.000 0.276 418 S C 0.441 175.264 174.600 0.371 0.000 1.339 418 S CA -0.719 57.628 58.200 0.246 0.000 1.039 418 S CB 0.590 63.936 63.200 0.243 0.000 0.902 418 S HN 0.768 nan 8.310 nan 0.000 0.516 419 T N -0.655 114.097 114.554 0.330 0.000 2.888 419 T HA 0.726 5.075 4.350 -0.001 0.000 0.288 419 T C -1.129 173.547 174.700 -0.040 0.000 1.063 419 T CA -0.849 61.379 62.100 0.213 0.000 1.010 419 T CB 1.305 70.267 68.868 0.157 0.000 1.214 419 T HN 0.845 nan 8.240 nan 0.000 0.533 420 F N 1.674 121.363 119.950 -0.435 0.000 2.828 420 F HA 0.437 4.963 4.527 -0.001 0.000 0.355 420 F C -1.061 174.698 175.800 -0.069 0.000 1.200 420 F CA -1.137 56.465 58.000 -0.663 0.000 1.062 420 F CB 0.476 38.503 39.000 -1.621 0.000 1.351 420 F HN 0.768 nan 8.300 nan 0.000 0.504 421 Y N 4.173 124.164 120.300 -0.515 0.000 3.305 421 Y HA -0.154 4.395 4.550 -0.001 0.000 0.212 421 Y C 1.458 177.297 175.900 -0.101 0.000 1.248 421 Y CA 1.348 59.253 58.100 -0.325 0.000 1.359 421 Y CB -1.258 36.926 38.460 -0.459 0.000 1.407 421 Y HN 1.171 nan 8.280 nan 0.000 0.572 422 G N -1.831 107.009 108.800 0.066 0.000 2.225 422 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.254 422 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.254 422 G C 0.308 175.388 174.900 0.300 0.000 0.988 422 G CA 0.193 45.395 45.100 0.170 0.000 0.625 422 G HN 0.398 nan 8.290 nan 0.000 0.527 423 M N 1.164 120.903 119.600 0.232 0.000 2.277 423 M HA 0.628 5.107 4.480 -0.001 0.000 0.350 423 M C 0.664 177.020 176.300 0.093 0.000 1.180 423 M CA -0.057 55.379 55.300 0.227 0.000 1.103 423 M CB 1.659 34.383 32.600 0.207 0.000 1.577 423 M HN 0.402 nan 8.290 nan 0.000 0.459 424 A N 2.246 124.946 122.820 -0.200 0.000 2.354 424 A HA 0.248 4.567 4.320 -0.001 0.000 0.269 424 A C -0.907 176.780 177.584 0.171 0.000 1.109 424 A CA -0.359 51.474 52.037 -0.341 0.000 0.800 424 A CB 0.096 18.538 19.000 -0.929 0.000 1.045 424 A HN 0.740 nan 8.150 nan 0.000 0.489 425 Y N 3.241 123.674 120.300 0.223 0.000 2.632 425 Y HA 0.337 4.886 4.550 -0.001 0.000 0.329 425 Y C 0.109 176.050 175.900 0.068 0.000 1.174 425 Y CA 0.265 58.486 58.100 0.202 0.000 1.469 425 Y CB 0.389 38.890 38.460 0.069 0.000 1.242 425 Y HN 0.676 nan 8.280 nan 0.000 0.540 426 V N 6.685 126.152 119.914 -0.744 0.000 2.444 426 V HA 0.431 4.551 4.120 -0.001 0.000 0.294 426 V C -2.384 172.991 176.094 -1.199 0.000 1.022 426 V CA -2.267 59.525 62.300 -0.848 0.000 0.850 426 V CB 1.758 33.266 31.823 -0.525 0.000 0.992 426 V HN 0.607 nan 8.190 nan 0.000 0.426 427 P HA -0.062 nan 4.420 nan 0.000 0.220 427 P C 0.303 176.953 177.300 -1.083 0.000 1.148 427 P CA 1.422 63.925 63.100 -0.994 0.000 0.803 427 P CB -0.024 31.348 31.700 -0.547 0.000 0.782 428 H N -1.999 116.815 119.070 -0.426 0.000 2.488 428 H HA 0.325 4.880 4.556 -0.001 0.000 0.237 428 H C -2.491 172.618 175.328 -0.366 0.000 1.395 428 H CA -2.256 53.616 56.048 -0.292 0.000 1.491 428 H CB 0.455 30.133 29.762 -0.141 0.000 1.567 428 H HN 0.061 nan 8.280 nan 0.000 0.508 429 P HA -0.107 nan 4.420 nan 0.000 0.265 429 P C 1.157 178.116 177.300 -0.568 0.000 1.187 429 P CA 0.562 63.391 63.100 -0.453 0.000 0.766 429 P CB 1.198 32.693 31.700 -0.343 0.000 0.820 430 V N 0.621 120.096 119.914 -0.731 0.000 0.516 430 V HA -0.326 3.793 4.120 -0.001 0.000 0.092 430 V C 0.292 175.810 176.094 -0.960 0.000 2.243 430 V CA 1.656 63.390 62.300 -0.943 0.000 3.573 430 V CB -2.353 28.518 31.823 -1.588 0.000 0.862 430 V HN 0.471 nan 8.190 nan 0.000 0.902 431 Y N -0.966 119.057 120.300 -0.461 0.000 2.446 431 Y HA 0.814 5.363 4.550 -0.001 0.000 0.345 431 Y C 0.474 176.279 175.900 -0.158 0.000 0.984 431 Y CA -0.045 57.897 58.100 -0.263 0.000 1.058 431 Y CB 1.942 40.263 38.460 -0.232 0.000 1.220 431 Y HN 0.211 nan 8.280 nan 0.000 0.455 432 A N 0.716 123.562 122.820 0.043 0.000 2.419 432 A HA 0.181 4.501 4.320 -0.001 0.000 0.233 432 A C -0.324 177.267 177.584 0.011 0.000 1.217 432 A CA 0.230 52.252 52.037 -0.024 0.000 0.944 432 A CB 0.213 19.175 19.000 -0.062 0.000 1.025 432 A HN 0.584 nan 8.150 nan 0.000 0.524 433 D N 1.165 121.620 120.400 0.091 0.000 2.420 433 D HA 0.431 5.070 4.640 -0.001 0.000 0.255 433 D C -2.757 173.622 176.300 0.131 0.000 1.185 433 D CA -1.706 52.356 54.000 0.103 0.000 0.904 433 D CB 1.627 42.500 40.800 0.122 0.000 1.102 433 D HN 0.085 nan 8.370 nan 0.000 0.534 434 P HA 0.352 nan 4.420 nan 0.000 0.276 434 P C 0.457 177.793 177.300 0.061 0.000 1.261 434 P CA -0.525 62.628 63.100 0.088 0.000 0.800 434 P CB 0.563 32.338 31.700 0.125 0.000 1.066 435 G N 0.096 108.854 108.800 -0.070 0.000 2.305 435 G HA2 0.155 4.114 3.960 -0.001 0.000 0.243 435 G HA3 0.155 4.114 3.960 -0.001 0.000 0.243 435 G C 1.161 176.194 174.900 0.221 0.000 1.288 435 G CA 0.103 45.061 45.100 -0.236 0.000 0.901 435 G HN 0.529 nan 8.290 nan 0.000 0.516 436 S N 1.350 117.247 115.700 0.328 0.000 2.500 436 S HA -0.132 4.337 4.470 -0.001 0.000 0.239 436 S C 1.469 176.486 174.600 0.695 0.000 0.989 436 S CA 1.108 59.570 58.200 0.437 0.000 0.951 436 S CB -0.003 63.330 63.200 0.222 0.000 0.759 436 S HN 0.522 nan 8.310 nan 0.000 0.523 437 N N 0.838 119.992 118.700 0.757 0.000 2.275 437 N HA 0.194 4.934 4.740 -0.001 0.000 0.236 437 N C 1.147 177.190 175.510 0.889 0.000 1.154 437 N CA -0.125 53.328 53.050 0.672 0.000 0.866 437 N CB 0.083 38.581 38.487 0.017 0.000 1.093 437 N HN 0.649 nan 8.380 nan 0.000 0.515 438 Q N -0.936 119.349 119.800 0.808 0.000 2.096 438 Q HA -0.070 4.269 4.340 -0.001 0.000 0.197 438 Q C -0.118 176.263 176.000 0.635 0.000 0.964 438 Q CA 0.497 56.694 55.803 0.656 0.000 0.838 438 Q CB -0.006 28.993 28.738 0.435 0.000 0.906 438 Q HN 0.383 nan 8.270 nan 0.000 0.444 439 W N 1.229 122.797 121.300 0.447 0.000 2.565 439 W HA -0.010 4.649 4.660 -0.001 0.000 0.325 439 W C 0.392 177.148 176.519 0.396 0.000 1.408 439 W CA -0.640 56.900 57.345 0.325 0.000 1.350 439 W CB -0.013 29.535 29.460 0.146 0.000 1.426 439 W HN 0.214 nan 8.180 nan 0.000 0.538 440 F N 5.225 125.156 119.950 -0.032 0.000 2.307 440 F HA -0.056 4.470 4.527 -0.001 0.000 0.301 440 F C 1.988 177.458 175.800 -0.551 0.000 1.076 440 F CA 2.113 60.050 58.000 -0.105 0.000 1.383 440 F CB -0.418 38.537 39.000 -0.076 0.000 1.055 440 F HN 0.456 nan 8.300 nan 0.000 0.526 441 G N 0.101 107.818 108.800 -1.806 0.000 2.469 441 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.219 441 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.219 441 G C 1.670 175.607 174.900 -1.606 0.000 1.150 441 G CA 1.126 44.760 45.100 -2.444 0.000 0.763 441 G HN 0.467 nan 8.290 nan 0.000 0.561 442 F N 0.771 120.167 119.950 -0.923 0.000 2.202 442 F HA -0.136 4.390 4.527 -0.001 0.000 0.301 442 F C 3.097 178.898 175.800 0.002 0.000 1.082 442 F CA 1.167 59.002 58.000 -0.276 0.000 1.313 442 F CB -0.011 38.932 39.000 -0.096 0.000 1.024 442 F HN 0.086 nan 8.300 nan 0.000 0.495 443 Q N 0.459 120.394 119.800 0.225 0.000 2.030 443 Q HA -0.201 4.139 4.340 -0.001 0.000 0.204 443 Q C 2.608 178.789 176.000 0.303 0.000 0.986 443 Q CA 1.670 57.736 55.803 0.438 0.000 0.843 443 Q CB -1.069 27.790 28.738 0.203 0.000 0.904 443 Q HN 0.464 nan 8.270 nan 0.000 0.420 444 A N 0.524 123.364 122.820 0.034 0.000 1.845 444 A HA -0.179 4.140 4.320 -0.001 0.000 0.215 444 A C 1.849 179.624 177.584 0.320 0.000 1.195 444 A CA 1.304 53.474 52.037 0.223 0.000 0.616 444 A CB -1.182 17.914 19.000 0.160 0.000 0.832 444 A HN 0.387 nan 8.150 nan 0.000 0.443 445 W N 0.217 121.558 121.300 0.068 0.000 2.290 445 W HA -0.209 4.450 4.660 -0.001 0.000 0.323 445 W C 3.093 179.688 176.519 0.126 0.000 1.260 445 W CA 1.582 59.000 57.345 0.122 0.000 1.266 445 W CB -1.289 28.220 29.460 0.083 0.000 1.149 445 W HN 0.380 nan 8.180 nan 0.000 0.482 446 S N -1.299 114.637 115.700 0.394 0.000 2.362 446 S HA -0.083 4.387 4.470 -0.001 0.000 0.221 446 S C 1.837 176.582 174.600 0.243 0.000 1.032 446 S CA 1.183 59.596 58.200 0.355 0.000 0.973 446 S CB -0.326 63.106 63.200 0.386 0.000 0.849 446 S HN -0.067 nan 8.310 nan 0.000 0.465 447 M N 1.693 121.312 119.600 0.032 0.000 2.557 447 M HA 0.061 4.540 4.480 -0.001 0.000 0.259 447 M C 2.067 178.223 176.300 -0.240 0.000 1.086 447 M CA 0.742 55.811 55.300 -0.384 0.000 1.096 447 M CB -1.088 30.733 32.600 -1.297 0.000 1.424 447 M HN 0.456 nan 8.290 nan 0.000 0.488 448 Q N 1.255 121.045 119.800 -0.017 0.000 2.084 448 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 448 Q C 1.901 177.929 176.000 0.046 0.000 0.978 448 Q CA 1.593 57.447 55.803 0.084 0.000 0.844 448 Q CB -0.068 28.807 28.738 0.228 0.000 0.898 448 Q HN 0.467 nan 8.270 nan 0.000 0.426 449 R N -0.579 119.945 120.500 0.040 0.000 2.081 449 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 449 R C 2.463 178.781 176.300 0.030 0.000 1.131 449 R CA 1.524 57.641 56.100 0.028 0.000 0.960 449 R CB -0.418 29.936 30.300 0.090 0.000 0.856 449 R HN 0.087 nan 8.270 nan 0.000 0.436 450 V N 1.016 120.880 119.914 -0.084 0.000 2.407 450 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 450 V C 2.278 178.397 176.094 0.043 0.000 1.055 450 V CA 1.494 63.717 62.300 -0.127 0.000 1.049 450 V CB -0.373 31.182 31.823 -0.446 0.000 0.662 450 V HN 0.286 nan 8.190 nan 0.000 0.455 451 M N -0.503 119.114 119.600 0.028 0.000 2.132 451 M HA -0.128 4.351 4.480 -0.001 0.000 0.263 451 M C 2.133 178.509 176.300 0.127 0.000 1.065 451 M CA 1.453 56.835 55.300 0.136 0.000 1.122 451 M CB -1.276 31.415 32.600 0.152 0.000 1.365 451 M HN 0.423 nan 8.290 nan 0.000 0.411 452 E N -0.815 119.405 120.200 0.032 0.000 2.110 452 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 452 E C 1.971 178.626 176.600 0.090 0.000 0.988 452 E CA 1.174 57.542 56.400 -0.053 0.000 0.804 452 E CB -0.329 29.080 29.700 -0.485 0.000 0.745 452 E HN 0.509 nan 8.360 nan 0.000 0.458 453 Y N 0.222 120.571 120.300 0.081 0.000 2.145 453 Y HA -0.324 4.225 4.550 -0.001 0.000 0.286 453 Y C 2.184 178.004 175.900 -0.134 0.000 1.145 453 Y CA 1.726 59.812 58.100 -0.023 0.000 1.148 453 Y CB -0.419 38.000 38.460 -0.067 0.000 0.981 453 Y HN 0.071 nan 8.280 nan 0.000 0.507 454 Y N 0.254 120.417 120.300 -0.228 0.000 2.200 454 Y HA -0.239 4.310 4.550 -0.001 0.000 0.290 454 Y C 2.431 178.213 175.900 -0.196 0.000 1.137 454 Y CA 1.501 59.414 58.100 -0.311 0.000 1.163 454 Y CB -0.783 37.634 38.460 -0.072 0.000 0.988 454 Y HN 0.266 nan 8.280 nan 0.000 0.518 455 L N 0.024 121.223 121.223 -0.041 0.000 1.997 455 L HA -0.271 4.068 4.340 -0.001 0.000 0.216 455 L C 2.022 179.006 176.870 0.189 0.000 1.074 455 L CA 2.184 57.060 54.840 0.061 0.000 0.763 455 L CB -0.325 41.775 42.059 0.068 0.000 0.890 455 L HN 0.279 nan 8.230 nan 0.000 0.434 456 E N -1.256 118.929 120.200 -0.026 0.000 2.442 456 E HA -0.070 4.279 4.350 -0.001 0.000 0.195 456 E C 1.766 178.203 176.600 -0.273 0.000 1.030 456 E CA 1.291 57.651 56.400 -0.066 0.000 0.869 456 E CB 0.238 29.832 29.700 -0.176 0.000 0.857 456 E HN 0.664 nan 8.360 nan 0.000 0.505 457 T N -4.460 109.708 114.554 -0.644 0.000 2.954 457 T HA 0.270 4.619 4.350 -0.001 0.000 0.252 457 T C 1.595 175.623 174.700 -1.120 0.000 0.983 457 T CA 0.607 62.257 62.100 -0.749 0.000 0.941 457 T CB 0.546 68.758 68.868 -1.094 0.000 1.141 457 T HN 0.118 nan 8.240 nan 0.000 0.500 458 G N 2.210 109.953 108.800 -1.762 0.000 2.187 458 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.261 458 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.261 458 G C -0.154 174.180 174.900 -0.942 0.000 1.000 458 G CA 0.350 43.908 45.100 -2.569 0.000 0.718 458 G HN 0.784 nan 8.290 nan 0.000 0.519 459 D N -0.024 120.051 120.400 -0.542 0.000 2.531 459 D HA 0.265 4.904 4.640 -0.001 0.000 0.239 459 D C 1.323 177.653 176.300 0.050 0.000 1.144 459 D CA 0.873 54.782 54.000 -0.152 0.000 0.869 459 D CB 0.885 41.671 40.800 -0.024 0.000 1.160 459 D HN 0.070 nan 8.370 nan 0.000 0.484 460 S N 1.655 117.374 115.700 0.031 0.000 2.470 460 S HA -0.091 4.378 4.470 -0.001 0.000 0.222 460 S C 1.889 176.510 174.600 0.035 0.000 1.024 460 S CA 0.731 58.961 58.200 0.049 0.000 0.931 460 S CB -0.060 63.164 63.200 0.041 0.000 0.791 460 S HN 0.576 nan 8.310 nan 0.000 0.513 461 S N 0.118 115.855 115.700 0.062 0.000 2.507 461 S HA 0.071 4.540 4.470 -0.001 0.000 0.235 461 S C 1.410 176.043 174.600 0.054 0.000 0.988 461 S CA 0.699 58.947 58.200 0.080 0.000 0.944 461 S CB 0.020 63.289 63.200 0.116 0.000 0.762 461 S HN 0.290 nan 8.310 nan 0.000 0.526 462 V N 0.782 120.699 119.914 0.005 0.000 3.661 462 V HA 0.231 4.350 4.120 -0.001 0.000 0.271 462 V C 2.253 178.219 176.094 -0.214 0.000 1.315 462 V CA 0.741 63.001 62.300 -0.066 0.000 1.072 462 V CB 0.127 31.962 31.823 0.021 0.000 0.830 462 V HN 0.524 nan 8.190 nan 0.000 0.443 463 K N 1.109 121.353 120.400 -0.260 0.000 2.044 463 K HA -0.240 4.079 4.320 -0.001 0.000 0.210 463 K C 1.800 178.321 176.600 -0.132 0.000 1.049 463 K CA 2.419 58.526 56.287 -0.302 0.000 0.927 463 K CB -0.162 32.243 32.500 -0.158 0.000 0.713 463 K HN 0.415 nan 8.250 nan 0.000 0.443 464 N N 0.649 119.316 118.700 -0.054 0.000 2.120 464 N HA -0.156 4.583 4.740 -0.001 0.000 0.188 464 N C 1.648 177.130 175.510 -0.047 0.000 1.024 464 N CA 1.248 54.294 53.050 -0.008 0.000 0.852 464 N CB -0.448 38.071 38.487 0.053 0.000 1.003 464 N HN 0.210 nan 8.380 nan 0.000 0.424 465 L N 1.200 122.356 121.223 -0.111 0.000 1.971 465 L HA -0.125 4.214 4.340 -0.001 0.000 0.215 465 L C 1.969 178.794 176.870 -0.075 0.000 1.072 465 L CA 1.571 56.319 54.840 -0.152 0.000 0.758 465 L CB -0.701 41.249 42.059 -0.181 0.000 0.889 465 L HN 0.125 nan 8.230 nan 0.000 0.433 466 I N -0.489 120.011 120.570 -0.115 0.000 2.163 466 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 466 I C 2.432 178.517 176.117 -0.053 0.000 1.085 466 I CA 1.317 62.557 61.300 -0.101 0.000 1.347 466 I CB -0.460 37.434 38.000 -0.176 0.000 1.044 466 I HN 0.305 nan 8.210 nan 0.000 0.408 467 K N 0.734 121.108 120.400 -0.043 0.000 2.057 467 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 467 K C 2.002 178.630 176.600 0.045 0.000 1.050 467 K CA 1.216 57.500 56.287 -0.005 0.000 0.935 467 K CB -0.512 32.023 32.500 0.059 0.000 0.715 467 K HN 0.303 nan 8.250 nan 0.000 0.439 468 K N -0.212 120.230 120.400 0.069 0.000 2.057 468 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 468 K C 2.065 178.763 176.600 0.162 0.000 1.049 468 K CA 1.358 57.704 56.287 0.099 0.000 0.931 468 K CB -0.219 32.329 32.500 0.081 0.000 0.714 468 K HN 0.180 nan 8.250 nan 0.000 0.440 469 W N 0.859 122.160 121.300 0.002 0.000 2.358 469 W HA -0.204 4.455 4.660 -0.001 0.000 0.303 469 W C 1.651 178.263 176.519 0.154 0.000 1.208 469 W CA 1.156 58.563 57.345 0.102 0.000 1.274 469 W CB -0.258 29.224 29.460 0.036 0.000 1.138 469 W HN -0.190 nan 8.180 nan 0.000 0.515 470 V N 1.039 121.072 119.914 0.198 0.000 2.287 470 V HA -0.345 3.774 4.120 -0.001 0.000 0.248 470 V C 2.102 178.152 176.094 -0.073 0.000 1.053 470 V CA 2.421 64.701 62.300 -0.033 0.000 1.027 470 V CB -1.012 30.674 31.823 -0.228 0.000 0.646 470 V HN 0.083 nan 8.190 nan 0.000 0.447 471 D N -1.239 119.163 120.400 0.004 0.000 2.133 471 D HA -0.250 4.389 4.640 -0.001 0.000 0.195 471 D C 1.690 178.003 176.300 0.021 0.000 0.997 471 D CA 1.733 55.748 54.000 0.024 0.000 0.840 471 D CB -0.312 40.527 40.800 0.065 0.000 0.947 471 D HN 0.676 nan 8.370 nan 0.000 0.452 472 W N 1.461 122.658 121.300 -0.173 0.000 2.354 472 W HA -0.177 4.482 4.660 -0.001 0.000 0.315 472 W C 2.189 178.557 176.519 -0.251 0.000 1.206 472 W CA 1.036 58.263 57.345 -0.198 0.000 1.290 472 W CB -0.661 28.667 29.460 -0.221 0.000 1.152 472 W HN -0.226 nan 8.180 nan 0.000 0.489 473 V N 1.412 120.991 119.914 -0.558 0.000 2.343 473 V HA -0.359 3.760 4.120 -0.001 0.000 0.247 473 V C 2.427 178.265 176.094 -0.427 0.000 1.051 473 V CA 2.166 64.037 62.300 -0.715 0.000 1.036 473 V CB -0.786 30.543 31.823 -0.823 0.000 0.654 473 V HN 0.177 nan 8.190 nan 0.000 0.451 474 M N 0.428 119.867 119.600 -0.268 0.000 2.279 474 M HA -0.112 4.367 4.480 -0.001 0.000 0.264 474 M C 2.413 178.610 176.300 -0.172 0.000 1.062 474 M CA 2.146 57.347 55.300 -0.166 0.000 1.099 474 M CB -1.443 31.107 32.600 -0.085 0.000 1.394 474 M HN 0.643 nan 8.290 nan 0.000 0.426 475 S N -0.693 114.886 115.700 -0.201 0.000 2.489 475 S HA -0.015 4.454 4.470 -0.001 0.000 0.228 475 S C 1.481 175.953 174.600 -0.213 0.000 0.995 475 S CA 0.593 58.695 58.200 -0.165 0.000 0.934 475 S CB 0.008 63.146 63.200 -0.102 0.000 0.771 475 S HN 0.393 nan 8.310 nan 0.000 0.522 476 E N 0.622 120.623 120.200 -0.331 0.000 2.473 476 E HA 0.355 4.704 4.350 -0.001 0.000 0.204 476 E C 0.185 176.661 176.600 -0.207 0.000 0.994 476 E CA -0.109 56.110 56.400 -0.301 0.000 0.945 476 E CB 0.296 29.644 29.700 -0.586 0.000 0.990 476 E HN 0.603 nan 8.360 nan 0.000 0.493 477 I N 2.842 123.280 120.570 -0.220 0.000 2.533 477 I HA 0.009 4.178 4.170 -0.001 0.000 0.284 477 I C 0.398 176.415 176.117 -0.167 0.000 1.109 477 I CA 0.170 61.383 61.300 -0.145 0.000 1.412 477 I CB 0.385 38.315 38.000 -0.117 0.000 1.396 477 I HN -0.436 nan 8.210 nan 0.000 0.543 478 K N 8.232 128.525 120.400 -0.178 0.000 2.339 478 K HA 0.563 4.882 4.320 -0.001 0.000 0.264 478 K C -0.794 175.534 176.600 -0.453 0.000 0.986 478 K CA -0.515 55.537 56.287 -0.392 0.000 0.866 478 K CB 1.941 34.135 32.500 -0.510 0.000 1.103 478 K HN 0.524 nan 8.250 nan 0.000 0.441 479 L N 3.688 124.626 121.223 -0.475 0.000 2.317 479 L HA 0.483 4.822 4.340 -0.001 0.000 0.281 479 L C -0.542 176.022 176.870 -0.510 0.000 1.024 479 L CA -1.084 53.560 54.840 -0.326 0.000 0.810 479 L CB 0.633 42.612 42.059 -0.135 0.000 1.240 479 L HN 0.464 nan 8.230 nan 0.000 0.427 480 Y N 0.139 120.468 120.300 0.048 0.000 2.468 480 Y HA 0.198 4.747 4.550 -0.001 0.000 0.342 480 Y C 0.801 176.715 175.900 0.023 0.000 1.021 480 Y CA -0.816 57.296 58.100 0.019 0.000 1.079 480 Y CB 1.498 39.963 38.460 0.008 0.000 1.226 480 Y HN 0.528 nan 8.280 nan 0.000 0.460 481 D N 0.506 121.009 120.400 0.171 0.000 2.309 481 D HA -0.150 4.489 4.640 -0.001 0.000 0.212 481 D C 1.184 177.534 176.300 0.084 0.000 0.968 481 D CA 1.343 55.396 54.000 0.088 0.000 0.882 481 D CB -0.141 40.694 40.800 0.059 0.000 0.918 481 D HN 0.672 nan 8.370 nan 0.000 0.503 482 D N -1.057 119.411 120.400 0.113 0.000 2.328 482 D HA 0.084 4.724 4.640 -0.001 0.000 0.226 482 D C 1.503 177.883 176.300 0.133 0.000 1.066 482 D CA 0.700 54.755 54.000 0.091 0.000 0.861 482 D CB -0.176 40.657 40.800 0.057 0.000 0.912 482 D HN 0.176 nan 8.370 nan 0.000 0.521 483 G N 0.076 108.971 108.800 0.158 0.000 2.176 483 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.253 483 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.253 483 G C 0.553 175.627 174.900 0.290 0.000 0.979 483 G CA 0.615 45.829 45.100 0.191 0.000 0.641 483 G HN 0.790 nan 8.290 nan 0.000 0.530 484 T N -1.012 113.715 114.554 0.289 0.000 2.770 484 T HA 0.767 5.116 4.350 -0.001 0.000 0.281 484 T C 0.039 175.034 174.700 0.491 0.000 0.981 484 T CA 0.175 62.481 62.100 0.343 0.000 0.955 484 T CB 1.804 70.778 68.868 0.176 0.000 1.060 484 T HN 1.611 nan 8.240 nan 0.000 0.531 485 F N -1.992 118.143 119.950 0.309 0.000 2.662 485 F HA 0.853 5.379 4.527 -0.001 0.000 0.312 485 F C -1.225 174.713 175.800 0.230 0.000 1.113 485 F CA -1.510 56.612 58.000 0.202 0.000 0.951 485 F CB 1.086 40.164 39.000 0.130 0.000 1.344 485 F HN 0.924 nan 8.300 nan 0.000 0.462 486 A N 2.161 125.066 122.820 0.141 0.000 2.549 486 A HA 0.861 5.181 4.320 -0.001 0.000 0.297 486 A C -1.325 176.368 177.584 0.182 0.000 1.061 486 A CA -0.661 51.388 52.037 0.020 0.000 0.690 486 A CB 1.489 20.528 19.000 0.065 0.000 1.287 486 A HN 1.319 nan 8.150 nan 0.000 0.402 487 I N -1.345 119.335 120.570 0.185 0.000 2.934 487 I HA 0.720 4.889 4.170 -0.001 0.000 0.306 487 I C -2.948 173.126 176.117 -0.071 0.000 1.110 487 I CA -3.128 58.213 61.300 0.069 0.000 1.019 487 I CB 2.191 40.238 38.000 0.080 0.000 1.227 487 I HN 0.236 nan 8.210 nan 0.000 0.434 488 P HA 0.048 nan 4.420 nan 0.000 0.265 488 P C -0.157 176.850 177.300 -0.489 0.000 1.187 488 P CA 0.280 62.880 63.100 -0.834 0.000 0.766 488 P CB 1.011 31.914 31.700 -1.328 0.000 0.820 489 S N 1.308 116.852 115.700 -0.260 0.000 2.811 489 S HA 0.113 4.583 4.470 -0.001 0.000 0.237 489 S C -0.013 174.675 174.600 0.146 0.000 1.038 489 S CA 0.256 58.475 58.200 0.031 0.000 0.881 489 S CB 0.096 63.324 63.200 0.048 0.000 0.815 489 S HN 0.381 nan 8.310 nan 0.000 0.582 490 D N 1.011 121.439 120.400 0.046 0.000 2.481 490 D HA 0.565 5.204 4.640 -0.001 0.000 0.244 490 D C -1.438 174.899 176.300 0.062 0.000 1.057 490 D CA -0.299 53.781 54.000 0.133 0.000 0.848 490 D CB 1.874 42.744 40.800 0.117 0.000 1.388 490 D HN 0.128 nan 8.370 nan 0.000 0.475 491 L N 1.186 122.502 121.223 0.155 0.000 2.362 491 L HA 0.435 4.774 4.340 -0.001 0.000 0.271 491 L C 0.005 176.863 176.870 -0.019 0.000 1.002 491 L CA -0.646 54.204 54.840 0.016 0.000 0.818 491 L CB 1.677 43.803 42.059 0.112 0.000 1.298 491 L HN 0.366 nan 8.230 nan 0.000 0.420 492 E N 1.505 121.580 120.200 -0.209 0.000 2.222 492 E HA 0.460 4.810 4.350 -0.001 0.000 0.267 492 E C -1.841 174.609 176.600 -0.250 0.000 0.884 492 E CA -0.557 55.803 56.400 -0.067 0.000 0.764 492 E CB 1.249 30.949 29.700 0.001 0.000 1.169 492 E HN 0.464 nan 8.360 nan 0.000 0.413 493 W N 2.243 123.633 121.300 0.150 0.000 2.666 493 W HA 0.452 5.111 4.660 -0.001 0.000 0.334 493 W C -0.333 176.247 176.519 0.101 0.000 1.051 493 W CA -0.539 56.862 57.345 0.094 0.000 1.224 493 W CB 2.029 31.505 29.460 0.026 0.000 1.405 493 W HN 0.455 nan 8.180 nan 0.000 0.513 494 S N 1.673 117.570 115.700 0.328 0.000 2.595 494 S HA 0.925 5.395 4.470 -0.001 0.000 0.281 494 S C -0.008 174.722 174.600 0.218 0.000 1.117 494 S CA -0.211 58.135 58.200 0.243 0.000 0.873 494 S CB 1.602 64.906 63.200 0.174 0.000 1.108 494 S HN 1.655 nan 8.310 nan 0.000 0.477 495 G N 1.095 109.996 108.800 0.167 0.000 2.681 495 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.220 495 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.220 495 G C -1.168 173.745 174.900 0.021 0.000 1.353 495 G CA -0.377 44.781 45.100 0.096 0.000 0.872 495 G HN 0.982 nan 8.290 nan 0.000 0.557 496 Q N 0.311 120.036 119.800 -0.125 0.000 2.389 496 Q HA 0.532 4.871 4.340 -0.001 0.000 0.277 496 Q C -2.444 173.271 176.000 -0.476 0.000 1.082 496 Q CA -1.765 53.805 55.803 -0.389 0.000 0.810 496 Q CB 3.248 31.892 28.738 -0.157 0.000 1.374 496 Q HN 0.561 nan 8.270 nan 0.000 0.422 497 P HA -0.042 nan 4.420 nan 0.000 0.269 497 P C -0.808 176.385 177.300 -0.179 0.000 1.215 497 P CA -0.064 62.704 63.100 -0.553 0.000 0.780 497 P CB 0.611 31.666 31.700 -1.076 0.000 0.898 498 D N 0.599 120.987 120.400 -0.019 0.000 2.399 498 D HA 0.051 4.690 4.640 -0.001 0.000 0.241 498 D C 0.344 176.873 176.300 0.383 0.000 1.133 498 D CA 0.573 54.646 54.000 0.122 0.000 0.890 498 D CB 0.115 40.959 40.800 0.073 0.000 1.201 498 D HN 0.227 nan 8.370 nan 0.000 0.432 499 T N 1.867 116.615 114.554 0.323 0.000 2.908 499 T HA -0.092 4.257 4.350 -0.001 0.000 0.301 499 T C 0.303 175.223 174.700 0.366 0.000 1.019 499 T CA -0.156 62.170 62.100 0.376 0.000 1.152 499 T CB 0.320 69.297 68.868 0.181 0.000 0.966 499 T HN 0.254 nan 8.240 nan 0.000 0.540 500 W N 3.370 124.707 121.300 0.062 0.000 2.368 500 W HA 0.082 4.741 4.660 -0.001 0.000 0.316 500 W C 0.230 176.679 176.519 -0.117 0.000 1.375 500 W CA -0.235 57.102 57.345 -0.013 0.000 1.261 500 W CB 0.501 29.845 29.460 -0.194 0.000 1.298 500 W HN 0.589 nan 8.180 nan 0.000 0.539 501 T N 3.961 118.153 114.554 -0.604 0.000 3.092 501 T HA 0.179 4.528 4.350 -0.001 0.000 0.258 501 T C 1.220 175.407 174.700 -0.855 0.000 1.031 501 T CA 0.714 62.454 62.100 -0.600 0.000 0.925 501 T CB -0.047 68.604 68.868 -0.361 0.000 1.036 501 T HN 0.841 nan 8.240 nan 0.000 0.544 502 G N 1.063 108.864 108.800 -1.666 0.000 2.175 502 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.244 502 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.244 502 G C 0.296 174.645 174.900 -0.919 0.000 0.982 502 G CA 0.238 44.705 45.100 -1.054 0.000 0.641 502 G HN 0.537 nan 8.290 nan 0.000 0.527 503 T N -0.368 113.459 114.554 -1.211 0.000 2.993 503 T HA 0.455 4.805 4.350 -0.001 0.000 0.312 503 T C -1.234 173.379 174.700 -0.144 0.000 1.115 503 T CA -0.492 61.355 62.100 -0.421 0.000 1.027 503 T CB 1.624 70.363 68.868 -0.214 0.000 1.116 503 T HN 0.485 nan 8.240 nan 0.000 0.464 504 Y N 3.198 123.594 120.300 0.160 0.000 2.544 504 Y HA 0.256 4.805 4.550 -0.001 0.000 0.330 504 Y C 1.762 177.743 175.900 0.136 0.000 1.136 504 Y CA 0.002 58.288 58.100 0.312 0.000 1.417 504 Y CB 0.826 39.459 38.460 0.288 0.000 1.229 504 Y HN 0.755 nan 8.280 nan 0.000 0.532 505 T N 0.913 115.269 114.554 -0.330 0.000 3.065 505 T HA 0.260 4.609 4.350 -0.001 0.000 0.252 505 T C 1.391 175.733 174.700 -0.597 0.000 1.099 505 T CA 0.487 62.374 62.100 -0.355 0.000 1.063 505 T CB -0.259 68.508 68.868 -0.169 0.000 0.948 505 T HN 1.271 nan 8.240 nan 0.000 0.506 506 G N 1.946 109.933 108.800 -1.354 0.000 2.176 506 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.232 506 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.232 506 G C 0.182 174.819 174.900 -0.439 0.000 0.986 506 G CA -0.163 44.402 45.100 -0.892 0.000 0.643 506 G HN 0.577 nan 8.290 nan 0.000 0.522 507 N N -0.172 118.301 118.700 -0.378 0.000 2.696 507 N HA -0.159 4.580 4.740 -0.001 0.000 0.271 507 N C -0.928 174.444 175.510 -0.229 0.000 0.997 507 N CA 1.296 54.214 53.050 -0.220 0.000 0.801 507 N CB -0.278 38.104 38.487 -0.176 0.000 0.913 507 N HN 0.473 nan 8.380 nan 0.000 0.557 508 P HA -0.101 nan 4.420 nan 0.000 0.228 508 P C 0.236 177.410 177.300 -0.211 0.000 1.151 508 P CA 1.239 64.240 63.100 -0.164 0.000 0.770 508 P CB 0.197 31.848 31.700 -0.081 0.000 0.786 509 N N -1.297 117.281 118.700 -0.204 0.000 2.187 509 N HA 0.122 4.861 4.740 -0.001 0.000 0.212 509 N C -0.215 175.176 175.510 -0.198 0.000 1.152 509 N CA -0.335 52.642 53.050 -0.122 0.000 0.872 509 N CB 0.179 38.656 38.487 -0.017 0.000 1.025 509 N HN 0.013 nan 8.380 nan 0.000 0.514 510 L N 1.940 122.940 121.223 -0.372 0.000 2.265 510 L HA 0.317 4.656 4.340 -0.001 0.000 0.289 510 L C -1.023 175.623 176.870 -0.374 0.000 1.033 510 L CA -0.469 54.198 54.840 -0.288 0.000 0.814 510 L CB 0.046 41.918 42.059 -0.311 0.000 1.203 510 L HN 0.150 nan 8.230 nan 0.000 0.423 511 H N 3.867 122.955 119.070 0.031 0.000 2.572 511 H HA 0.542 5.098 4.556 -0.001 0.000 0.359 511 H C -1.033 174.266 175.328 -0.050 0.000 1.134 511 H CA -0.666 55.377 56.048 -0.010 0.000 1.187 511 H CB 2.549 32.303 29.762 -0.013 0.000 1.597 511 H HN 0.436 nan 8.280 nan 0.000 0.524 512 V N 3.114 122.951 119.914 -0.128 0.000 2.628 512 V HA 0.521 4.640 4.120 -0.001 0.000 0.306 512 V C -0.603 175.360 176.094 -0.218 0.000 1.045 512 V CA -0.645 61.350 62.300 -0.509 0.000 0.905 512 V CB 2.248 33.434 31.823 -1.062 0.000 0.997 512 V HN 0.763 nan 8.190 nan 0.000 0.436 513 R N 3.904 124.262 120.500 -0.237 0.000 2.621 513 R HA 0.669 5.008 4.340 -0.001 0.000 0.284 513 R C -1.856 174.380 176.300 -0.106 0.000 0.998 513 R CA -0.579 55.470 56.100 -0.085 0.000 0.895 513 R CB 2.316 32.581 30.300 -0.059 0.000 1.195 513 R HN 0.593 nan 8.270 nan 0.000 0.450 514 V N 3.772 123.640 119.914 -0.076 0.000 2.432 514 V HA 0.125 4.245 4.120 -0.001 0.000 0.271 514 V C 1.294 177.273 176.094 -0.190 0.000 1.046 514 V CA 0.058 62.235 62.300 -0.205 0.000 0.945 514 V CB 1.241 32.823 31.823 -0.402 0.000 0.992 514 V HN 1.037 nan 8.190 nan 0.000 0.471 515 T N -0.038 114.416 114.554 -0.167 0.000 3.015 515 T HA 0.199 4.548 4.350 -0.001 0.000 0.250 515 T C 0.597 175.255 174.700 -0.069 0.000 1.057 515 T CA 0.486 62.543 62.100 -0.072 0.000 1.066 515 T CB 0.267 69.127 68.868 -0.015 0.000 0.959 515 T HN 0.755 nan 8.240 nan 0.000 0.488 516 S N -0.508 115.081 115.700 -0.185 0.000 2.596 516 S HA 0.733 5.203 4.470 -0.001 0.000 0.270 516 S C -2.034 172.389 174.600 -0.295 0.000 1.155 516 S CA -1.063 57.080 58.200 -0.096 0.000 0.827 516 S CB 1.248 64.460 63.200 0.020 0.000 1.130 516 S HN 0.254 nan 8.310 nan 0.000 0.467 517 Y N -0.700 119.584 120.300 -0.028 0.000 2.576 517 Y HA 0.878 5.427 4.550 -0.001 0.000 0.346 517 Y C 0.834 176.711 175.900 -0.039 0.000 1.018 517 Y CA -0.119 57.947 58.100 -0.056 0.000 1.050 517 Y CB 2.333 40.754 38.460 -0.065 0.000 1.280 517 Y HN 1.230 nan 8.280 nan 0.000 0.474 518 G N -0.657 108.210 108.800 0.111 0.000 2.793 518 G HA2 0.415 4.374 3.960 -0.001 0.000 0.248 518 G HA3 0.415 4.374 3.960 -0.001 0.000 0.248 518 G C -0.912 173.936 174.900 -0.087 0.000 1.198 518 G CA -0.450 44.663 45.100 0.020 0.000 0.865 518 G HN 0.421 nan 8.290 nan 0.000 0.534 519 T N 0.666 115.140 114.554 -0.133 0.000 3.604 519 T HA 0.218 4.568 4.350 -0.001 0.000 0.305 519 T C -0.776 173.797 174.700 -0.210 0.000 0.978 519 T CA -0.293 61.596 62.100 -0.351 0.000 0.999 519 T CB -0.370 68.267 68.868 -0.384 0.000 1.204 519 T HN 0.441 nan 8.240 nan 0.000 0.476 520 D N 1.809 122.196 120.400 -0.022 0.000 2.382 520 D HA 0.067 4.706 4.640 -0.001 0.000 0.259 520 D C 1.338 177.561 176.300 -0.128 0.000 1.224 520 D CA 0.037 54.018 54.000 -0.032 0.000 0.894 520 D CB 0.845 41.720 40.800 0.126 0.000 1.127 520 D HN 0.392 nan 8.370 nan 0.000 0.487 521 L N 3.617 124.631 121.223 -0.349 0.000 2.109 521 L HA -0.002 4.338 4.340 -0.001 0.000 0.207 521 L C 2.494 179.113 176.870 -0.418 0.000 1.086 521 L CA 1.050 55.703 54.840 -0.311 0.000 0.760 521 L CB -0.259 41.657 42.059 -0.237 0.000 0.910 521 L HN 0.505 nan 8.230 nan 0.000 0.437 522 G N -0.307 107.878 108.800 -1.024 0.000 2.394 522 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.214 522 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.214 522 G C 1.589 176.541 174.900 0.087 0.000 1.176 522 G CA 0.714 45.443 45.100 -0.619 0.000 0.786 522 G HN 0.141 nan 8.290 nan 0.000 0.533 523 V N 1.699 121.672 119.914 0.098 0.000 2.392 523 V HA -0.167 3.952 4.120 -0.001 0.000 0.249 523 V C 3.310 179.521 176.094 0.195 0.000 1.059 523 V CA 2.062 64.491 62.300 0.215 0.000 1.051 523 V CB -0.837 31.096 31.823 0.183 0.000 0.658 523 V HN 0.473 nan 8.190 nan 0.000 0.455 524 A N 0.430 123.319 122.820 0.116 0.000 1.898 524 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 524 A C 2.428 180.046 177.584 0.056 0.000 1.181 524 A CA 1.807 53.888 52.037 0.073 0.000 0.620 524 A CB -1.192 17.791 19.000 -0.029 0.000 0.819 524 A HN 0.511 nan 8.150 nan 0.000 0.442 525 G N -0.660 108.178 108.800 0.064 0.000 2.459 525 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 525 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 525 G C 1.950 176.941 174.900 0.153 0.000 1.183 525 G CA 1.600 46.750 45.100 0.083 0.000 0.776 525 G HN 0.570 nan 8.290 nan 0.000 0.552 526 S N -0.024 115.843 115.700 0.278 0.000 2.374 526 S HA -0.172 4.297 4.470 -0.001 0.000 0.227 526 S C 2.344 177.131 174.600 0.312 0.000 1.037 526 S CA 1.767 60.197 58.200 0.383 0.000 1.024 526 S CB -0.321 63.249 63.200 0.617 0.000 0.861 526 S HN 0.273 nan 8.310 nan 0.000 0.456 527 L N 1.455 122.846 121.223 0.280 0.000 2.109 527 L HA 0.246 4.586 4.340 -0.001 0.000 0.207 527 L C 2.415 179.417 176.870 0.219 0.000 1.086 527 L CA 1.893 56.910 54.840 0.295 0.000 0.760 527 L CB -1.136 41.102 42.059 0.298 0.000 0.910 527 L HN 0.316 nan 8.230 nan 0.000 0.437 528 A N -0.311 122.591 122.820 0.135 0.000 1.898 528 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 528 A C 2.227 179.867 177.584 0.092 0.000 1.181 528 A CA 1.606 53.688 52.037 0.073 0.000 0.620 528 A CB -0.922 18.080 19.000 0.003 0.000 0.819 528 A HN 0.608 nan 8.150 nan 0.000 0.442 529 N N 0.825 119.590 118.700 0.107 0.000 2.018 529 N HA -0.189 4.550 4.740 -0.001 0.000 0.196 529 N C 1.907 177.514 175.510 0.162 0.000 1.043 529 N CA 2.185 55.300 53.050 0.108 0.000 0.856 529 N CB -0.535 38.018 38.487 0.110 0.000 1.042 529 N HN 0.355 nan 8.380 nan 0.000 0.423 530 A N 1.144 124.092 122.820 0.215 0.000 1.917 530 A HA -0.110 4.209 4.320 -0.001 0.000 0.219 530 A C 2.624 180.383 177.584 0.291 0.000 1.182 530 A CA 1.334 53.518 52.037 0.245 0.000 0.633 530 A CB -0.826 18.351 19.000 0.295 0.000 0.819 530 A HN 0.391 nan 8.150 nan 0.000 0.448 531 L N -1.151 120.240 121.223 0.280 0.000 2.109 531 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 531 L C 3.071 180.102 176.870 0.269 0.000 1.086 531 L CA 0.898 55.916 54.840 0.295 0.000 0.760 531 L CB -0.486 41.695 42.059 0.204 0.000 0.910 531 L HN 0.424 nan 8.230 nan 0.000 0.437 532 A N -0.454 122.482 122.820 0.194 0.000 1.898 532 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 532 A C 2.372 180.099 177.584 0.239 0.000 1.181 532 A CA 2.215 54.390 52.037 0.230 0.000 0.620 532 A CB -0.856 18.268 19.000 0.206 0.000 0.819 532 A HN 0.343 nan 8.150 nan 0.000 0.442 533 T N -1.320 113.325 114.554 0.152 0.000 2.674 533 T HA -0.179 4.170 4.350 -0.001 0.000 0.265 533 T C 1.796 176.543 174.700 0.078 0.000 1.039 533 T CA 1.730 63.843 62.100 0.020 0.000 1.150 533 T CB -0.495 68.405 68.868 0.054 0.000 0.864 533 T HN 0.586 nan 8.240 nan 0.000 0.427 534 Y N 2.478 122.844 120.300 0.109 0.000 2.081 534 Y HA -0.186 4.363 4.550 -0.001 0.000 0.280 534 Y C 2.525 178.529 175.900 0.173 0.000 1.163 534 Y CA 1.203 59.405 58.100 0.170 0.000 1.135 534 Y CB -1.051 37.527 38.460 0.196 0.000 0.970 534 Y HN 0.172 nan 8.280 nan 0.000 0.498 535 A N 0.958 123.745 122.820 -0.055 0.000 1.892 535 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 535 A C 2.515 180.118 177.584 0.032 0.000 1.188 535 A CA 2.637 54.628 52.037 -0.077 0.000 0.631 535 A CB -1.721 17.345 19.000 0.110 0.000 0.822 535 A HN 0.751 nan 8.150 nan 0.000 0.447 536 A N -0.234 122.616 122.820 0.051 0.000 1.883 536 A HA 0.070 4.390 4.320 -0.001 0.000 0.217 536 A C 2.542 179.988 177.584 -0.230 0.000 1.186 536 A CA 2.500 54.400 52.037 -0.228 0.000 0.624 536 A CB -1.143 17.413 19.000 -0.740 0.000 0.822 536 A HN 1.211 nan 8.150 nan 0.000 0.444 537 A N -0.335 122.381 122.820 -0.173 0.000 1.908 537 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 537 A C 2.445 180.004 177.584 -0.041 0.000 1.181 537 A CA 2.670 54.662 52.037 -0.076 0.000 0.627 537 A CB -1.494 17.543 19.000 0.062 0.000 0.818 537 A HN 0.865 nan 8.150 nan 0.000 0.445 538 T N -2.198 112.290 114.554 -0.111 0.000 2.915 538 T HA -0.149 4.200 4.350 -0.001 0.000 0.269 538 T C 1.687 176.370 174.700 -0.027 0.000 1.071 538 T CA 1.555 63.631 62.100 -0.039 0.000 1.132 538 T CB -0.267 68.510 68.868 -0.152 0.000 0.878 538 T HN 0.644 nan 8.240 nan 0.000 0.479 539 E N 1.172 121.332 120.200 -0.067 0.000 2.047 539 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 539 E C 2.535 179.045 176.600 -0.150 0.000 0.987 539 E CA 0.725 57.086 56.400 -0.066 0.000 0.799 539 E CB -0.129 29.548 29.700 -0.037 0.000 0.752 539 E HN 0.563 nan 8.360 nan 0.000 0.449 540 R N -0.819 119.512 120.500 -0.282 0.000 2.075 540 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 540 R C 1.353 177.276 176.300 -0.628 0.000 1.126 540 R CA 1.866 57.634 56.100 -0.552 0.000 0.963 540 R CB -0.147 29.669 30.300 -0.807 0.000 0.858 540 R HN 0.280 nan 8.270 nan 0.000 0.435 541 W N -0.008 121.202 121.300 -0.149 0.000 2.915 541 W HA 0.299 4.959 4.660 -0.001 0.000 0.276 541 W C 0.368 176.868 176.519 -0.032 0.000 1.215 541 W CA -0.667 56.600 57.345 -0.129 0.000 1.514 541 W CB 0.656 29.947 29.460 -0.282 0.000 1.017 541 W HN 0.005 nan 8.180 nan 0.000 0.598 542 E N -0.515 119.790 120.200 0.175 0.000 2.285 542 E HA 0.350 4.699 4.350 -0.001 0.000 0.254 542 E C 1.406 178.059 176.600 0.089 0.000 1.011 542 E CA -0.162 56.332 56.400 0.157 0.000 0.873 542 E CB 0.879 30.684 29.700 0.174 0.000 1.229 542 E HN -0.058 nan 8.360 nan 0.000 0.422 543 G N 0.511 109.361 108.800 0.084 0.000 2.450 543 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.220 543 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.220 543 G C 0.196 175.122 174.900 0.043 0.000 1.130 543 G CA 1.235 46.370 45.100 0.059 0.000 0.760 543 G HN 0.426 nan 8.290 nan 0.000 0.557 544 K N -1.562 118.865 120.400 0.046 0.000 2.556 544 K HA 0.558 4.877 4.320 -0.001 0.000 0.274 544 K C -1.309 175.311 176.600 0.032 0.000 0.966 544 K CA -1.205 55.103 56.287 0.035 0.000 0.865 544 K CB 1.390 33.913 32.500 0.037 0.000 1.444 544 K HN -0.051 nan 8.250 nan 0.000 0.433 545 L N 2.118 123.359 121.223 0.031 0.000 2.499 545 L HA 0.104 4.443 4.340 -0.001 0.000 0.273 545 L C -0.212 176.672 176.870 0.023 0.000 1.195 545 L CA 0.641 55.502 54.840 0.035 0.000 0.882 545 L CB 0.288 42.392 42.059 0.075 0.000 1.133 545 L HN 0.734 nan 8.230 nan 0.000 0.483 546 D N 3.628 124.026 120.400 -0.004 0.000 2.455 546 D HA -0.021 4.618 4.640 -0.001 0.000 0.234 546 D C 0.831 177.136 176.300 0.008 0.000 1.224 546 D CA 0.202 54.214 54.000 0.019 0.000 0.999 546 D CB 0.823 41.643 40.800 0.033 0.000 1.072 546 D HN 0.786 nan 8.370 nan 0.000 0.514 547 T N 2.707 117.262 114.554 0.001 0.000 2.833 547 T HA -0.131 4.218 4.350 -0.001 0.000 0.269 547 T C 1.792 176.470 174.700 -0.037 0.000 1.054 547 T CA 1.116 63.194 62.100 -0.036 0.000 1.135 547 T CB 0.295 69.153 68.868 -0.018 0.000 0.869 547 T HN 0.380 nan 8.240 nan 0.000 0.466 548 K N 0.684 121.089 120.400 0.008 0.000 2.062 548 K HA 0.133 4.452 4.320 -0.001 0.000 0.205 548 K C 2.587 179.201 176.600 0.024 0.000 1.051 548 K CA 0.988 57.282 56.287 0.011 0.000 0.941 548 K CB -0.192 32.327 32.500 0.031 0.000 0.719 548 K HN 0.227 nan 8.250 nan 0.000 0.440 549 A N 1.747 124.619 122.820 0.086 0.000 1.902 549 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 549 A C 2.111 179.714 177.584 0.033 0.000 1.181 549 A CA 1.541 53.660 52.037 0.137 0.000 0.623 549 A CB -0.506 18.713 19.000 0.364 0.000 0.818 549 A HN 0.223 nan 8.150 nan 0.000 0.443 550 R N -0.434 120.021 120.500 -0.075 0.000 2.081 550 R HA -0.172 4.167 4.340 -0.001 0.000 0.235 550 R C 1.284 177.452 176.300 -0.220 0.000 1.131 550 R CA 1.932 57.869 56.100 -0.271 0.000 0.960 550 R CB -0.420 29.529 30.300 -0.585 0.000 0.856 550 R HN 0.439 nan 8.270 nan 0.000 0.436 551 D N 0.380 120.691 120.400 -0.148 0.000 2.144 551 D HA -0.160 4.480 4.640 -0.001 0.000 0.200 551 D C 1.769 178.026 176.300 -0.072 0.000 0.978 551 D CA 1.072 55.008 54.000 -0.106 0.000 0.833 551 D CB -0.128 40.626 40.800 -0.076 0.000 0.961 551 D HN 0.205 nan 8.370 nan 0.000 0.470 552 M N 1.086 120.654 119.600 -0.052 0.000 2.175 552 M HA -0.015 4.464 4.480 -0.001 0.000 0.264 552 M C 1.898 178.171 176.300 -0.044 0.000 1.063 552 M CA 1.133 56.409 55.300 -0.040 0.000 1.119 552 M CB -0.376 32.210 32.600 -0.022 0.000 1.377 552 M HN -0.041 nan 8.290 nan 0.000 0.415 553 A N -0.097 122.699 122.820 -0.041 0.000 1.883 553 A HA -0.041 4.278 4.320 -0.001 0.000 0.217 553 A C 2.383 179.909 177.584 -0.097 0.000 1.186 553 A CA 2.273 54.281 52.037 -0.049 0.000 0.624 553 A CB -1.498 17.480 19.000 -0.037 0.000 0.822 553 A HN 0.648 nan 8.150 nan 0.000 0.444 554 A N -0.802 121.950 122.820 -0.114 0.000 1.930 554 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 554 A C 1.962 179.549 177.584 0.006 0.000 1.175 554 A CA 1.581 53.564 52.037 -0.091 0.000 0.627 554 A CB -0.371 18.608 19.000 -0.035 0.000 0.815 554 A HN 0.487 nan 8.150 nan 0.000 0.443 555 E N 0.178 120.365 120.200 -0.021 0.000 2.047 555 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 555 E C 2.094 178.667 176.600 -0.045 0.000 0.987 555 E CA 0.968 57.359 56.400 -0.013 0.000 0.799 555 E CB -0.437 29.243 29.700 -0.033 0.000 0.752 555 E HN 0.677 nan 8.360 nan 0.000 0.449 556 L N 0.451 121.608 121.223 -0.110 0.000 2.012 556 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 556 L C 2.611 179.384 176.870 -0.160 0.000 1.073 556 L CA 0.934 55.625 54.840 -0.247 0.000 0.748 556 L CB -0.592 41.345 42.059 -0.203 0.000 0.891 556 L HN -0.003 nan 8.230 nan 0.000 0.431 557 V N 0.005 119.902 119.914 -0.028 0.000 2.358 557 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 557 V C 2.222 178.490 176.094 0.291 0.000 1.047 557 V CA 1.739 64.090 62.300 0.085 0.000 1.035 557 V CB -0.682 31.145 31.823 0.007 0.000 0.658 557 V HN 0.465 nan 8.190 nan 0.000 0.452 558 N N 0.409 119.312 118.700 0.338 0.000 2.104 558 N HA -0.154 4.586 4.740 -0.001 0.000 0.190 558 N C 1.989 177.819 175.510 0.534 0.000 1.024 558 N CA 1.494 54.877 53.050 0.554 0.000 0.853 558 N CB -0.324 38.306 38.487 0.238 0.000 1.008 558 N HN 0.465 nan 8.380 nan 0.000 0.424 559 R N 0.142 120.828 120.500 0.309 0.000 2.127 559 R HA 0.209 4.548 4.340 -0.001 0.000 0.217 559 R C 2.096 178.698 176.300 0.503 0.000 1.074 559 R CA 0.860 57.185 56.100 0.375 0.000 0.991 559 R CB -0.133 30.333 30.300 0.276 0.000 0.895 559 R HN 0.152 nan 8.270 nan 0.000 0.450 560 A N 0.750 123.758 122.820 0.314 0.000 1.969 560 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 560 A C 1.747 179.688 177.584 0.596 0.000 1.169 560 A CA 0.846 53.174 52.037 0.486 0.000 0.635 560 A CB -0.621 18.489 19.000 0.182 0.000 0.810 560 A HN 0.602 nan 8.150 nan 0.000 0.445 561 W N -1.176 120.332 121.300 0.348 0.000 2.526 561 W HA -0.118 4.541 4.660 -0.001 0.000 0.294 561 W C 1.940 178.666 176.519 0.346 0.000 1.181 561 W CA 1.455 58.979 57.345 0.299 0.000 1.373 561 W CB -0.476 29.086 29.460 0.170 0.000 1.112 561 W HN 0.434 nan 8.180 nan 0.000 0.545 562 Y N 2.695 123.205 120.300 0.350 0.000 2.128 562 Y HA -0.242 4.307 4.550 -0.001 0.000 0.284 562 Y C 2.218 178.126 175.900 0.014 0.000 1.154 562 Y CA 2.485 60.688 58.100 0.173 0.000 1.149 562 Y CB -0.966 37.667 38.460 0.288 0.000 0.976 562 Y HN -0.089 nan 8.280 nan 0.000 0.505 563 N N -1.127 117.559 118.700 -0.023 0.000 2.446 563 N HA -0.048 4.691 4.740 -0.001 0.000 0.179 563 N C 0.154 175.185 175.510 -0.799 0.000 1.054 563 N CA 0.844 53.614 53.050 -0.467 0.000 0.905 563 N CB -0.017 38.242 38.487 -0.379 0.000 0.973 563 N HN 0.351 nan 8.380 nan 0.000 0.448 564 F N -0.758 119.187 119.950 -0.009 0.000 2.775 564 F HA 0.214 4.740 4.527 -0.001 0.000 0.313 564 F C 0.125 175.871 175.800 -0.090 0.000 1.121 564 F CA -0.989 56.993 58.000 -0.029 0.000 1.206 564 F CB -0.446 38.576 39.000 0.036 0.000 1.052 564 F HN -0.135 nan 8.300 nan 0.000 0.524 565 Y N 1.628 121.776 120.300 -0.254 0.000 2.811 565 Y HA 0.029 4.578 4.550 -0.001 0.000 0.334 565 Y C 0.368 176.136 175.900 -0.220 0.000 1.247 565 Y CA -0.505 57.346 58.100 -0.415 0.000 1.526 565 Y CB 0.436 38.543 38.460 -0.590 0.000 1.284 565 Y HN 0.197 nan 8.280 nan 0.000 0.586 566 C N 7.511 126.415 119.300 -0.660 0.000 2.265 566 C HA 0.323 4.782 4.460 -0.001 0.000 0.332 566 C C 1.432 176.082 174.990 -0.566 0.000 1.248 566 C CA 0.116 58.895 59.018 -0.399 0.000 1.727 566 C CB -1.293 26.358 27.740 -0.149 0.000 2.348 566 C HN 1.017 nan 8.230 nan 0.000 0.519 567 S N 2.430 118.014 115.700 -0.193 0.000 2.481 567 S HA -0.012 4.457 4.470 -0.001 0.000 0.231 567 S C 1.401 175.974 174.600 -0.045 0.000 0.996 567 S CA 1.318 59.505 58.200 -0.023 0.000 0.942 567 S CB -0.258 62.990 63.200 0.080 0.000 0.768 567 S HN 1.062 nan 8.310 nan 0.000 0.520 568 E N 1.096 121.252 120.200 -0.074 0.000 2.511 568 E HA 0.396 4.745 4.350 -0.001 0.000 0.196 568 E C 1.351 177.905 176.600 -0.077 0.000 1.066 568 E CA 0.510 56.877 56.400 -0.055 0.000 0.871 568 E CB -1.630 28.044 29.700 -0.044 0.000 0.863 568 E HN 1.444 nan 8.360 nan 0.000 0.520 569 G N 0.257 108.976 108.800 -0.136 0.000 2.136 569 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.242 569 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.242 569 G C 1.005 175.859 174.900 -0.078 0.000 0.989 569 G CA 0.550 45.586 45.100 -0.107 0.000 0.682 569 G HN 0.493 nan 8.290 nan 0.000 0.522 570 K N -0.203 120.140 120.400 -0.094 0.000 2.404 570 K HA 0.445 4.764 4.320 -0.001 0.000 0.194 570 K C 1.771 178.451 176.600 0.133 0.000 1.023 570 K CA 0.723 57.000 56.287 -0.017 0.000 1.094 570 K CB 0.409 32.764 32.500 -0.243 0.000 0.841 570 K HN 1.213 nan 8.250 nan 0.000 0.523 571 G N 0.743 109.548 108.800 0.008 0.000 2.713 571 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.215 571 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.215 571 G C -0.608 174.267 174.900 -0.042 0.000 1.265 571 G CA -0.347 44.792 45.100 0.065 0.000 1.204 571 G HN 0.139 nan 8.290 nan 0.000 0.545 572 V N -1.521 118.448 119.914 0.091 0.000 3.019 572 V HA 0.956 5.075 4.120 -0.001 0.000 0.317 572 V C -0.045 176.069 176.094 0.033 0.000 1.094 572 V CA -0.312 62.017 62.300 0.049 0.000 1.000 572 V CB 1.502 33.416 31.823 0.152 0.000 1.060 572 V HN 2.057 nan 8.190 nan 0.000 0.443 573 V N 0.714 120.614 119.914 -0.024 0.000 2.932 573 V HA 0.633 4.752 4.120 -0.001 0.000 0.307 573 V C -0.198 175.863 176.094 -0.054 0.000 1.147 573 V CA 0.206 62.366 62.300 -0.232 0.000 0.951 573 V CB 2.433 34.026 31.823 -0.384 0.000 1.031 573 V HN 1.251 nan 8.190 nan 0.000 0.426 574 T N 4.310 118.789 114.554 -0.125 0.000 2.918 574 T HA 0.496 4.845 4.350 -0.001 0.000 0.283 574 T C -0.801 173.879 174.700 -0.034 0.000 1.001 574 T CA -0.215 61.853 62.100 -0.053 0.000 1.041 574 T CB 1.079 69.927 68.868 -0.033 0.000 1.028 574 T HN 0.848 nan 8.240 nan 0.000 0.511 575 E N 2.105 122.319 120.200 0.024 0.000 2.255 575 E HA 0.339 4.688 4.350 -0.001 0.000 0.256 575 E C -1.236 175.349 176.600 -0.025 0.000 0.887 575 E CA -0.592 55.801 56.400 -0.010 0.000 0.782 575 E CB 0.633 30.360 29.700 0.044 0.000 1.214 575 E HN 0.725 nan 8.360 nan 0.000 0.417 576 E N 2.782 122.933 120.200 -0.082 0.000 2.263 576 E HA 0.601 4.950 4.350 -0.001 0.000 0.268 576 E C -1.240 175.299 176.600 -0.101 0.000 0.884 576 E CA -1.259 55.104 56.400 -0.063 0.000 0.766 576 E CB 1.719 31.408 29.700 -0.019 0.000 1.196 576 E HN 0.363 nan 8.360 nan 0.000 0.416 577 A N 3.906 126.683 122.820 -0.072 0.000 2.396 577 A HA 0.284 4.604 4.320 -0.001 0.000 0.279 577 A C -0.176 177.339 177.584 -0.115 0.000 1.165 577 A CA -0.686 51.299 52.037 -0.086 0.000 0.824 577 A CB 0.045 19.015 19.000 -0.049 0.000 1.100 577 A HN 0.456 nan 8.150 nan 0.000 0.516 578 R N 3.211 123.583 120.500 -0.214 0.000 2.937 578 R HA 0.329 4.668 4.340 -0.001 0.000 0.264 578 R C 1.137 177.332 176.300 -0.176 0.000 1.334 578 R CA 0.317 56.214 56.100 -0.338 0.000 1.516 578 R CB 0.132 29.818 30.300 -1.023 0.000 1.187 578 R HN 0.812 nan 8.270 nan 0.000 0.609 579 A N 2.092 124.880 122.820 -0.052 0.000 1.940 579 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 579 A C 1.576 179.185 177.584 0.041 0.000 1.176 579 A CA 1.778 53.819 52.037 0.008 0.000 0.631 579 A CB -0.142 18.866 19.000 0.014 0.000 0.814 579 A HN 0.600 nan 8.150 nan 0.000 0.446 580 D N -1.460 118.979 120.400 0.066 0.000 2.309 580 D HA -0.204 4.436 4.640 -0.001 0.000 0.212 580 D C 1.169 177.512 176.300 0.071 0.000 0.968 580 D CA 0.843 54.886 54.000 0.072 0.000 0.882 580 D CB -0.616 40.325 40.800 0.235 0.000 0.918 580 D HN 0.488 nan 8.370 nan 0.000 0.503 581 Y N 1.854 122.168 120.300 0.024 0.000 2.639 581 Y HA -0.060 4.489 4.550 -0.001 0.000 0.297 581 Y C 2.276 178.170 175.900 -0.009 0.000 1.151 581 Y CA 0.155 58.319 58.100 0.106 0.000 1.335 581 Y CB -0.535 38.045 38.460 0.201 0.000 0.994 581 Y HN 0.246 nan 8.280 nan 0.000 0.548 582 K N 0.568 121.020 120.400 0.087 0.000 2.280 582 K HA -0.166 4.154 4.320 -0.001 0.000 0.202 582 K C 1.570 178.067 176.600 -0.173 0.000 1.047 582 K CA 1.262 57.588 56.287 0.065 0.000 0.942 582 K CB -0.341 32.235 32.500 0.127 0.000 0.739 582 K HN 0.239 nan 8.250 nan 0.000 0.457 583 R N -0.244 119.949 120.500 -0.512 0.000 2.285 583 R HA -0.002 4.337 4.340 -0.001 0.000 0.213 583 R C 1.821 177.695 176.300 -0.710 0.000 1.068 583 R CA 0.846 56.468 56.100 -0.798 0.000 1.004 583 R CB -0.419 28.968 30.300 -1.522 0.000 0.873 583 R HN 0.152 nan 8.270 nan 0.000 0.467 584 F N 0.062 119.534 119.950 -0.796 0.000 2.115 584 F HA -0.255 4.271 4.527 -0.001 0.000 0.300 584 F C 1.326 176.751 175.800 -0.625 0.000 1.092 584 F CA 1.738 59.343 58.000 -0.659 0.000 1.245 584 F CB 0.019 38.299 39.000 -1.201 0.000 0.995 584 F HN -0.034 nan 8.300 nan 0.000 0.481 585 F N -2.521 117.419 119.950 -0.018 0.000 2.727 585 F HA 0.173 4.699 4.527 -0.001 0.000 0.302 585 F C 1.788 177.526 175.800 -0.103 0.000 1.107 585 F CA -0.040 57.895 58.000 -0.109 0.000 1.277 585 F CB -0.257 38.460 39.000 -0.473 0.000 1.079 585 F HN -0.185 nan 8.300 nan 0.000 0.594 586 E N -0.040 120.162 120.200 0.003 0.000 2.364 586 E HA -0.009 4.340 4.350 -0.001 0.000 0.196 586 E C 0.624 177.247 176.600 0.039 0.000 0.990 586 E CA -0.019 56.408 56.400 0.045 0.000 0.886 586 E CB 0.265 29.982 29.700 0.028 0.000 0.866 586 E HN 0.068 nan 8.360 nan 0.000 0.493 587 Q N 2.159 121.960 119.800 0.002 0.000 2.295 587 Q HA 0.047 4.386 4.340 -0.001 0.000 0.259 587 Q C -0.858 175.218 176.000 0.128 0.000 0.976 587 Q CA 0.103 55.932 55.803 0.044 0.000 0.923 587 Q CB 0.876 29.626 28.738 0.021 0.000 1.185 587 Q HN -0.030 nan 8.270 nan 0.000 0.410 588 E N 2.609 122.886 120.200 0.128 0.000 2.289 588 E HA 0.316 4.665 4.350 -0.001 0.000 0.278 588 E C -1.173 175.532 176.600 0.175 0.000 1.032 588 E CA -0.591 55.897 56.400 0.146 0.000 0.854 588 E CB 0.778 30.558 29.700 0.134 0.000 1.046 588 E HN 0.455 nan 8.360 nan 0.000 0.409 589 V N 6.063 126.081 119.914 0.173 0.000 2.364 589 V HA 0.054 4.174 4.120 -0.001 0.000 0.272 589 V C -0.285 175.913 176.094 0.172 0.000 1.036 589 V CA -0.662 61.747 62.300 0.182 0.000 0.880 589 V CB 0.058 31.975 31.823 0.156 0.000 0.991 589 V HN 0.661 nan 8.190 nan 0.000 0.460 590 Y N 5.599 125.946 120.300 0.079 0.000 2.717 590 Y HA 0.275 4.825 4.550 -0.001 0.000 0.330 590 Y C -0.014 175.896 175.900 0.017 0.000 1.217 590 Y CA 0.556 58.689 58.100 0.055 0.000 1.506 590 Y CB 0.615 39.114 38.460 0.066 0.000 1.268 590 Y HN 0.407 nan 8.280 nan 0.000 0.561 591 V N 8.541 128.112 119.914 -0.571 0.000 2.638 591 V HA 0.347 4.466 4.120 -0.001 0.000 0.306 591 V C -2.282 173.294 176.094 -0.864 0.000 1.052 591 V CA -2.215 59.759 62.300 -0.542 0.000 0.885 591 V CB 1.899 33.591 31.823 -0.218 0.000 0.999 591 V HN 0.698 nan 8.190 nan 0.000 0.424 592 P HA 0.185 nan 4.420 nan 0.000 0.266 592 P C -0.254 176.961 177.300 -0.142 0.000 1.195 592 P CA 0.092 62.977 63.100 -0.358 0.000 0.768 592 P CB 0.458 32.116 31.700 -0.070 0.000 0.838 593 A N 3.087 125.856 122.820 -0.085 0.000 2.546 593 A HA 0.410 4.729 4.320 -0.001 0.000 0.243 593 A C 1.616 179.215 177.584 0.024 0.000 1.063 593 A CA 0.885 52.911 52.037 -0.018 0.000 0.757 593 A CB -1.319 17.684 19.000 0.005 0.000 0.991 593 A HN 0.869 nan 8.150 nan 0.000 0.503 594 G N 1.122 109.934 108.800 0.020 0.000 2.299 594 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.237 594 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.237 594 G C 0.267 175.169 174.900 0.002 0.000 1.027 594 G CA 0.325 45.429 45.100 0.006 0.000 0.619 594 G HN 1.194 nan 8.290 nan 0.000 0.513 595 W N 2.380 123.610 121.300 -0.116 0.000 2.181 595 W HA 0.554 5.213 4.660 -0.001 0.000 0.335 595 W C 0.452 176.890 176.519 -0.134 0.000 1.310 595 W CA 1.271 58.531 57.345 -0.141 0.000 1.226 595 W CB 0.637 29.996 29.460 -0.168 0.000 1.155 595 W HN 0.960 nan 8.180 nan 0.000 0.565 596 S N 2.840 118.181 115.700 -0.598 0.000 2.537 596 S HA 0.831 5.300 4.470 -0.001 0.000 0.270 596 S C -0.513 173.583 174.600 -0.839 0.000 1.142 596 S CA -0.327 57.621 58.200 -0.421 0.000 0.870 596 S CB 1.373 64.411 63.200 -0.271 0.000 1.112 596 S HN 1.077 nan 8.310 nan 0.000 0.466 597 G N 0.308 108.905 108.800 -0.339 0.000 2.451 597 G HA2 0.793 4.752 3.960 -0.001 0.000 0.292 597 G HA3 0.793 4.752 3.960 -0.001 0.000 0.292 597 G C -0.832 174.062 174.900 -0.009 0.000 1.427 597 G CA 0.362 45.305 45.100 -0.262 0.000 0.792 597 G HN 1.615 nan 8.290 nan 0.000 0.498 598 T N -1.416 113.148 114.554 0.016 0.000 2.893 598 T HA 0.670 5.019 4.350 -0.001 0.000 0.293 598 T C 0.224 175.034 174.700 0.183 0.000 1.027 598 T CA -0.900 61.251 62.100 0.085 0.000 0.988 598 T CB 1.667 70.568 68.868 0.054 0.000 1.043 598 T HN 0.510 nan 8.240 nan 0.000 0.461 599 M N 2.354 122.044 119.600 0.150 0.000 2.228 599 M HA 0.264 4.743 4.480 -0.001 0.000 0.326 599 M C -1.640 174.634 176.300 -0.042 0.000 1.122 599 M CA -2.576 52.784 55.300 0.099 0.000 1.161 599 M CB 0.154 32.745 32.600 -0.015 0.000 1.437 599 M HN 0.415 nan 8.290 nan 0.000 0.465 600 P HA -0.153 nan 4.420 nan 0.000 0.223 600 P C 0.450 177.638 177.300 -0.187 0.000 1.140 600 P CA 1.300 64.145 63.100 -0.424 0.000 0.783 600 P CB -0.105 31.058 31.700 -0.895 0.000 0.759 601 N N -2.643 115.937 118.700 -0.200 0.000 2.200 601 N HA 0.136 4.876 4.740 -0.001 0.000 0.224 601 N C 1.147 176.596 175.510 -0.103 0.000 1.179 601 N CA 0.355 53.303 53.050 -0.171 0.000 0.877 601 N CB -0.052 38.273 38.487 -0.270 0.000 1.072 601 N HN 0.146 nan 8.380 nan 0.000 0.519 602 G N -0.600 108.169 108.800 -0.052 0.000 2.284 602 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.230 602 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.230 602 G C 0.227 175.113 174.900 -0.023 0.000 1.021 602 G CA 0.325 45.410 45.100 -0.026 0.000 0.619 602 G HN 0.832 nan 8.290 nan 0.000 0.510 603 D N 1.101 121.472 120.400 -0.049 0.000 2.648 603 D HA 0.574 5.214 4.640 -0.001 0.000 0.229 603 D C 0.472 176.780 176.300 0.014 0.000 1.119 603 D CA 1.749 55.730 54.000 -0.031 0.000 0.850 603 D CB -0.250 40.514 40.800 -0.061 0.000 1.169 603 D HN 1.679 nan 8.370 nan 0.000 0.489 604 K N 1.914 122.328 120.400 0.023 0.000 2.262 604 K HA 0.583 4.902 4.320 -0.001 0.000 0.282 604 K C 0.178 176.823 176.600 0.074 0.000 1.066 604 K CA -0.517 55.794 56.287 0.040 0.000 0.901 604 K CB 0.228 32.742 32.500 0.022 0.000 1.089 604 K HN 0.634 nan 8.250 nan 0.000 0.476 605 I N 3.789 124.432 120.570 0.122 0.000 2.294 605 I HA 0.164 4.333 4.170 -0.001 0.000 0.295 605 I C 0.547 176.787 176.117 0.205 0.000 1.098 605 I CA -0.196 61.216 61.300 0.188 0.000 1.277 605 I CB 0.173 38.362 38.000 0.315 0.000 1.434 605 I HN 0.873 nan 8.210 nan 0.000 0.498 606 Q N 6.475 126.352 119.800 0.128 0.000 2.482 606 Q HA 0.572 4.911 4.340 -0.001 0.000 0.286 606 Q C -3.019 173.010 176.000 0.049 0.000 1.007 606 Q CA -2.310 53.554 55.803 0.101 0.000 0.801 606 Q CB 1.919 30.692 28.738 0.058 0.000 1.455 606 Q HN 0.108 nan 8.270 nan 0.000 0.398 607 P HA 0.100 nan 4.420 nan 0.000 0.262 607 P C 0.469 177.779 177.300 0.017 0.000 1.182 607 P CA 1.916 65.001 63.100 -0.025 0.000 0.761 607 P CB 0.440 32.115 31.700 -0.042 0.000 0.795 608 G N 2.427 111.247 108.800 0.034 0.000 2.231 608 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.206 608 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.206 608 G C 0.251 175.198 174.900 0.079 0.000 0.996 608 G CA 0.021 45.157 45.100 0.060 0.000 0.645 608 G HN 0.653 nan 8.290 nan 0.000 0.498 609 I N -0.643 119.972 120.570 0.076 0.000 2.836 609 I HA 0.631 4.800 4.170 -0.001 0.000 0.285 609 I C 0.157 176.344 176.117 0.117 0.000 1.174 609 I CA -0.416 60.938 61.300 0.091 0.000 1.405 609 I CB 0.582 38.631 38.000 0.080 0.000 1.385 609 I HN -0.199 nan 8.210 nan 0.000 0.594 610 K N 3.727 124.207 120.400 0.134 0.000 2.166 610 K HA 0.262 4.581 4.320 -0.001 0.000 0.245 610 K C 0.263 176.975 176.600 0.187 0.000 0.967 610 K CA -0.802 55.587 56.287 0.170 0.000 0.863 610 K CB 1.304 33.914 32.500 0.183 0.000 1.107 610 K HN 0.773 nan 8.250 nan 0.000 0.436 611 F N 1.278 121.270 119.950 0.070 0.000 2.063 611 F HA -0.361 4.165 4.527 -0.001 0.000 0.296 611 F C 1.845 177.677 175.800 0.054 0.000 1.093 611 F CA 1.982 60.017 58.000 0.058 0.000 1.229 611 F CB -0.084 38.944 39.000 0.045 0.000 0.971 611 F HN 0.552 nan 8.300 nan 0.000 0.491 612 I N 0.551 121.205 120.570 0.139 0.000 2.546 612 I HA -0.224 3.945 4.170 -0.001 0.000 0.255 612 I C 1.823 177.981 176.117 0.068 0.000 1.163 612 I CA 1.491 62.868 61.300 0.128 0.000 1.457 612 I CB -0.768 37.397 38.000 0.275 0.000 1.092 612 I HN 0.138 nan 8.210 nan 0.000 0.434 613 D N 0.691 121.131 120.400 0.067 0.000 2.144 613 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 613 D C 2.036 178.336 176.300 0.001 0.000 0.984 613 D CA 2.005 56.035 54.000 0.049 0.000 0.834 613 D CB -0.191 40.653 40.800 0.072 0.000 0.955 613 D HN 0.599 nan 8.370 nan 0.000 0.465 614 I N -2.482 118.072 120.570 -0.028 0.000 3.793 614 I HA 0.190 4.360 4.170 -0.001 0.000 0.315 614 I C 0.493 176.548 176.117 -0.103 0.000 1.275 614 I CA 0.054 61.334 61.300 -0.033 0.000 1.214 614 I CB 0.226 38.243 38.000 0.028 0.000 1.018 614 I HN -0.317 nan 8.210 nan 0.000 0.439 615 R N 0.582 120.996 120.500 -0.144 0.000 2.886 615 R HA 0.284 4.623 4.340 -0.001 0.000 0.306 615 R C 0.596 176.829 176.300 -0.111 0.000 1.300 615 R CA -0.148 55.836 56.100 -0.194 0.000 1.441 615 R CB 0.618 30.852 30.300 -0.112 0.000 1.328 615 R HN 0.080 nan 8.270 nan 0.000 0.629 616 T N 0.619 115.061 114.554 -0.186 0.000 2.995 616 T HA -0.051 4.298 4.350 -0.001 0.000 0.269 616 T C 1.519 176.121 174.700 -0.164 0.000 1.091 616 T CA 1.149 63.173 62.100 -0.126 0.000 1.128 616 T CB 0.132 68.925 68.868 -0.126 0.000 0.891 616 T HN 0.296 nan 8.240 nan 0.000 0.492 617 K N 0.016 120.226 120.400 -0.316 0.000 2.280 617 K HA -0.090 4.229 4.320 -0.001 0.000 0.202 617 K C 1.668 178.286 176.600 0.030 0.000 1.047 617 K CA 0.911 57.023 56.287 -0.293 0.000 0.942 617 K CB -0.198 31.867 32.500 -0.725 0.000 0.739 617 K HN 0.334 nan 8.250 nan 0.000 0.457 618 Y N 1.557 121.944 120.300 0.146 0.000 2.315 618 Y HA -0.188 4.361 4.550 -0.001 0.000 0.288 618 Y C 1.939 177.842 175.900 0.005 0.000 1.154 618 Y CA 1.146 59.421 58.100 0.292 0.000 1.229 618 Y CB -0.136 38.598 38.460 0.457 0.000 0.980 618 Y HN 0.004 nan 8.280 nan 0.000 0.540 619 R N -0.697 119.672 120.500 -0.218 0.000 2.193 619 R HA -0.188 4.151 4.340 -0.001 0.000 0.229 619 R C 1.446 177.560 176.300 -0.309 0.000 1.110 619 R CA 1.179 56.758 56.100 -0.868 0.000 0.988 619 R CB -0.141 29.727 30.300 -0.720 0.000 0.871 619 R HN 0.271 nan 8.270 nan 0.000 0.458 620 Q N 0.286 120.050 119.800 -0.061 0.000 2.360 620 Q HA 0.064 4.403 4.340 -0.001 0.000 0.202 620 Q C -0.281 175.799 176.000 0.133 0.000 0.915 620 Q CA 0.241 56.063 55.803 0.032 0.000 0.943 620 Q CB 0.237 28.984 28.738 0.015 0.000 1.064 620 Q HN 0.169 nan 8.270 nan 0.000 0.511 621 D N -0.061 120.482 120.400 0.238 0.000 2.424 621 D HA -0.012 4.628 4.640 -0.001 0.000 0.244 621 D C -1.649 174.812 176.300 0.269 0.000 1.134 621 D CA -1.616 52.563 54.000 0.299 0.000 0.881 621 D CB 1.491 42.572 40.800 0.468 0.000 1.191 621 D HN -0.029 nan 8.370 nan 0.000 0.445 622 P HA -0.155 nan 4.420 nan 0.000 0.218 622 P C 0.157 177.506 177.300 0.081 0.000 1.146 622 P CA 1.267 64.475 63.100 0.180 0.000 0.820 622 P CB 0.041 31.916 31.700 0.292 0.000 0.778 623 Y N -4.420 115.948 120.300 0.112 0.000 2.507 623 Y HA 0.164 4.713 4.550 -0.001 0.000 0.254 623 Y C 1.902 177.852 175.900 0.083 0.000 1.171 623 Y CA -0.825 57.322 58.100 0.079 0.000 1.238 623 Y CB -0.812 37.682 38.460 0.056 0.000 1.148 623 Y HN -0.060 nan 8.280 nan 0.000 0.525 624 Y N 1.231 121.612 120.300 0.134 0.000 2.089 624 Y HA -0.260 4.289 4.550 -0.001 0.000 0.282 624 Y C 1.845 177.823 175.900 0.131 0.000 1.139 624 Y CA 2.012 60.178 58.100 0.110 0.000 1.123 624 Y CB -0.224 38.323 38.460 0.146 0.000 0.980 624 Y HN 0.042 nan 8.280 nan 0.000 0.493 625 D N 0.489 120.959 120.400 0.117 0.000 2.137 625 D HA -0.276 4.363 4.640 -0.001 0.000 0.189 625 D C 2.341 178.616 176.300 -0.042 0.000 0.998 625 D CA 2.409 56.439 54.000 0.050 0.000 0.839 625 D CB -0.700 40.135 40.800 0.058 0.000 0.962 625 D HN 0.480 nan 8.370 nan 0.000 0.446 626 I N 0.734 121.268 120.570 -0.060 0.000 2.145 626 I HA -0.279 3.890 4.170 -0.001 0.000 0.244 626 I C 2.597 178.695 176.117 -0.033 0.000 1.075 626 I CA 1.393 62.658 61.300 -0.059 0.000 1.332 626 I CB -0.573 37.381 38.000 -0.075 0.000 1.033 626 I HN 0.025 nan 8.210 nan 0.000 0.410 627 V N -1.674 118.218 119.914 -0.035 0.000 2.591 627 V HA -0.236 3.884 4.120 -0.001 0.000 0.249 627 V C 2.401 178.518 176.094 0.039 0.000 1.053 627 V CA 1.073 63.373 62.300 -0.000 0.000 1.068 627 V CB -1.081 30.694 31.823 -0.079 0.000 0.689 627 V HN 0.394 nan 8.190 nan 0.000 0.462 628 Y N 1.621 121.764 120.300 -0.262 0.000 2.220 628 Y HA -0.044 4.505 4.550 -0.001 0.000 0.291 628 Y C 2.645 178.408 175.900 -0.229 0.000 1.129 628 Y CA 2.064 59.928 58.100 -0.393 0.000 1.161 628 Y CB -0.217 37.800 38.460 -0.739 0.000 0.997 628 Y HN 0.255 nan 8.280 nan 0.000 0.522 629 Q N 0.043 119.695 119.800 -0.246 0.000 2.167 629 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 629 Q C 2.495 178.361 176.000 -0.224 0.000 0.970 629 Q CA 1.306 56.947 55.803 -0.270 0.000 0.855 629 Q CB -0.832 27.825 28.738 -0.135 0.000 0.911 629 Q HN 0.596 nan 8.270 nan 0.000 0.438 630 A N 0.169 122.914 122.820 -0.125 0.000 2.015 630 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 630 A C 1.937 179.495 177.584 -0.044 0.000 1.163 630 A CA 1.103 53.100 52.037 -0.067 0.000 0.646 630 A CB -0.636 18.360 19.000 -0.007 0.000 0.806 630 A HN 0.383 nan 8.150 nan 0.000 0.448 631 Y N 0.811 120.984 120.300 -0.212 0.000 2.089 631 Y HA -0.172 4.377 4.550 -0.001 0.000 0.282 631 Y C 1.922 177.644 175.900 -0.297 0.000 1.139 631 Y CA 1.651 59.615 58.100 -0.226 0.000 1.123 631 Y CB -0.704 37.532 38.460 -0.373 0.000 0.980 631 Y HN 0.216 nan 8.280 nan 0.000 0.493 632 L N 0.223 121.022 121.223 -0.707 0.000 1.978 632 L HA -0.324 4.015 4.340 -0.001 0.000 0.218 632 L C 2.785 179.393 176.870 -0.437 0.000 1.075 632 L CA 2.309 56.737 54.840 -0.686 0.000 0.767 632 L CB -1.203 40.510 42.059 -0.578 0.000 0.890 632 L HN 0.274 nan 8.230 nan 0.000 0.434 633 R N 0.638 120.958 120.500 -0.300 0.000 2.339 633 R HA 0.145 4.484 4.340 -0.001 0.000 0.199 633 R C 1.536 177.740 176.300 -0.160 0.000 1.018 633 R CA 0.842 56.824 56.100 -0.197 0.000 1.036 633 R CB -1.799 28.414 30.300 -0.146 0.000 0.899 633 R HN 0.628 nan 8.270 nan 0.000 0.473 634 G N 0.279 108.967 108.800 -0.185 0.000 2.305 634 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.287 634 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.287 634 G C -0.211 174.661 174.900 -0.047 0.000 1.036 634 G CA 0.623 45.658 45.100 -0.107 0.000 0.887 634 G HN 0.678 nan 8.290 nan 0.000 0.505 635 E N -0.770 119.409 120.200 -0.035 0.000 2.336 635 E HA 0.684 5.033 4.350 -0.001 0.000 0.267 635 E C 0.369 176.974 176.600 0.007 0.000 0.906 635 E CA -0.550 55.838 56.400 -0.019 0.000 0.781 635 E CB 1.670 31.348 29.700 -0.037 0.000 1.261 635 E HN 0.630 nan 8.360 nan 0.000 0.436 636 A N 3.068 125.889 122.820 0.002 0.000 2.450 636 A HA 0.314 4.633 4.320 -0.001 0.000 0.255 636 A C -2.076 175.500 177.584 -0.014 0.000 1.096 636 A CA -0.964 51.074 52.037 0.002 0.000 0.778 636 A CB -0.404 18.585 19.000 -0.017 0.000 1.031 636 A HN 0.289 nan 8.150 nan 0.000 0.494 637 P HA 0.311 nan 4.420 nan 0.000 0.274 637 P C -0.753 176.509 177.300 -0.062 0.000 1.237 637 P CA -0.213 62.879 63.100 -0.013 0.000 0.793 637 P CB 0.871 32.597 31.700 0.043 0.000 0.977 638 V N 2.772 122.652 119.914 -0.057 0.000 2.384 638 V HA 0.326 4.445 4.120 -0.001 0.000 0.287 638 V C 0.325 176.352 176.094 -0.111 0.000 1.020 638 V CA -0.428 61.822 62.300 -0.085 0.000 0.850 638 V CB 0.930 32.716 31.823 -0.060 0.000 0.987 638 V HN 0.353 nan 8.190 nan 0.000 0.436 639 L N 4.736 125.828 121.223 -0.217 0.000 2.342 639 L HA 0.621 4.960 4.340 -0.001 0.000 0.271 639 L C -0.133 176.466 176.870 -0.451 0.000 1.008 639 L CA -0.455 54.147 54.840 -0.397 0.000 0.818 639 L CB 1.968 43.598 42.059 -0.714 0.000 1.296 639 L HN 0.502 nan 8.230 nan 0.000 0.427 640 N N 2.020 120.442 118.700 -0.463 0.000 2.444 640 N HA 0.398 5.137 4.740 -0.001 0.000 0.262 640 N C -1.504 173.737 175.510 -0.450 0.000 0.974 640 N CA -0.288 52.538 53.050 -0.373 0.000 0.933 640 N CB 1.296 39.665 38.487 -0.197 0.000 1.137 640 N HN 0.471 nan 8.380 nan 0.000 0.498 641 Y N 0.341 120.491 120.300 -0.250 0.000 2.409 641 Y HA 0.259 4.808 4.550 -0.001 0.000 0.343 641 Y C -0.117 175.562 175.900 -0.369 0.000 0.973 641 Y CA -1.076 56.876 58.100 -0.247 0.000 1.064 641 Y CB 1.554 39.898 38.460 -0.195 0.000 1.207 641 Y HN 0.454 nan 8.280 nan 0.000 0.452 642 H N 2.151 121.244 119.070 0.039 0.000 2.628 642 H HA 0.348 4.903 4.556 -0.001 0.000 0.250 642 H C -0.609 174.702 175.328 -0.029 0.000 1.442 642 H CA -0.877 55.181 56.048 0.016 0.000 1.282 642 H CB 0.093 29.860 29.762 0.010 0.000 1.487 642 H HN 0.408 nan 8.280 nan 0.000 0.544 643 R N 1.056 121.455 120.500 -0.168 0.000 2.491 643 R HA 0.015 4.355 4.340 -0.001 0.000 0.283 643 R C 0.657 176.864 176.300 -0.156 0.000 1.072 643 R CA -0.298 55.589 56.100 -0.355 0.000 1.048 643 R CB 0.466 30.237 30.300 -0.881 0.000 0.983 643 R HN 0.471 nan 8.270 nan 0.000 0.450 644 F N 4.163 123.996 119.950 -0.195 0.000 2.043 644 F HA -0.298 4.228 4.527 -0.001 0.000 0.297 644 F C 1.861 177.555 175.800 -0.178 0.000 1.118 644 F CA 1.819 59.714 58.000 -0.175 0.000 1.202 644 F CB -0.137 38.744 39.000 -0.198 0.000 0.965 644 F HN 0.721 nan 8.300 nan 0.000 0.482 645 W N 0.079 121.221 121.300 -0.263 0.000 2.425 645 W HA -0.142 4.517 4.660 -0.001 0.000 0.277 645 W C 1.906 178.248 176.519 -0.296 0.000 1.231 645 W CA 1.344 58.360 57.345 -0.548 0.000 1.248 645 W CB -1.622 27.461 29.460 -0.628 0.000 1.117 645 W HN 0.261 nan 8.180 nan 0.000 0.568 646 H N 1.133 119.637 119.070 -0.942 0.000 2.293 646 H HA -0.144 4.412 4.556 -0.001 0.000 0.300 646 H C 2.274 177.383 175.328 -0.366 0.000 1.082 646 H CA 1.811 57.407 56.048 -0.753 0.000 1.308 646 H CB 0.115 29.473 29.762 -0.673 0.000 1.375 646 H HN 0.083 nan 8.280 nan 0.000 0.495 647 E N 0.583 120.650 120.200 -0.221 0.000 2.085 647 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 647 E C 2.501 178.965 176.600 -0.226 0.000 0.994 647 E CA 0.734 57.000 56.400 -0.224 0.000 0.801 647 E CB -0.381 29.090 29.700 -0.382 0.000 0.743 647 E HN 0.285 nan 8.360 nan 0.000 0.453 648 V N 2.017 121.743 119.914 -0.315 0.000 2.379 648 V HA -0.186 3.933 4.120 -0.001 0.000 0.245 648 V C 2.072 178.184 176.094 0.031 0.000 1.044 648 V CA 1.711 63.930 62.300 -0.136 0.000 1.036 648 V CB -0.439 31.340 31.823 -0.075 0.000 0.664 648 V HN 0.093 nan 8.190 nan 0.000 0.453 649 D N -0.039 120.417 120.400 0.094 0.000 2.149 649 D HA -0.162 4.477 4.640 -0.001 0.000 0.198 649 D C 1.974 178.316 176.300 0.069 0.000 0.990 649 D CA 1.260 55.378 54.000 0.197 0.000 0.839 649 D CB -0.052 41.002 40.800 0.422 0.000 0.948 649 D HN 0.336 nan 8.370 nan 0.000 0.460 650 L N 0.751 121.992 121.223 0.030 0.000 2.027 650 L HA -0.012 4.327 4.340 -0.001 0.000 0.206 650 L C 2.182 179.077 176.870 0.041 0.000 1.074 650 L CA 1.921 56.783 54.840 0.038 0.000 0.745 650 L CB -0.889 41.207 42.059 0.062 0.000 0.898 650 L HN -0.046 nan 8.230 nan 0.000 0.433 651 A N -0.962 121.888 122.820 0.049 0.000 1.883 651 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 651 A C 2.279 180.011 177.584 0.247 0.000 1.186 651 A CA 2.196 54.331 52.037 0.164 0.000 0.624 651 A CB -1.197 17.865 19.000 0.103 0.000 0.822 651 A HN 0.318 nan 8.150 nan 0.000 0.444 652 V N -0.197 119.735 119.914 0.029 0.000 2.343 652 V HA -0.241 3.879 4.120 -0.001 0.000 0.247 652 V C 3.063 179.031 176.094 -0.210 0.000 1.051 652 V CA 1.851 64.021 62.300 -0.216 0.000 1.036 652 V CB -1.259 30.175 31.823 -0.648 0.000 0.654 652 V HN 0.640 nan 8.190 nan 0.000 0.451 653 A N -0.267 122.475 122.820 -0.128 0.000 1.892 653 A HA -0.317 4.002 4.320 -0.001 0.000 0.218 653 A C 2.241 179.753 177.584 -0.121 0.000 1.188 653 A CA 2.582 54.565 52.037 -0.091 0.000 0.631 653 A CB -0.554 18.424 19.000 -0.037 0.000 0.822 653 A HN 0.512 nan 8.150 nan 0.000 0.447 654 M N -0.739 118.815 119.600 -0.077 0.000 2.080 654 M HA -0.147 4.332 4.480 -0.001 0.000 0.260 654 M C 2.305 178.537 176.300 -0.114 0.000 1.068 654 M CA 1.628 56.891 55.300 -0.063 0.000 1.109 654 M CB -0.708 31.944 32.600 0.088 0.000 1.342 654 M HN 0.514 nan 8.290 nan 0.000 0.405 655 G N -0.446 108.220 108.800 -0.222 0.000 2.408 655 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.217 655 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.217 655 G C 1.496 176.161 174.900 -0.390 0.000 1.150 655 G CA 0.669 45.472 45.100 -0.494 0.000 0.776 655 G HN 0.312 nan 8.290 nan 0.000 0.542 656 V N 0.847 120.609 119.914 -0.254 0.000 2.295 656 V HA -0.130 3.989 4.120 -0.001 0.000 0.246 656 V C 2.848 178.925 176.094 -0.027 0.000 1.049 656 V CA 1.188 63.419 62.300 -0.115 0.000 1.024 656 V CB -0.432 31.394 31.823 0.005 0.000 0.648 656 V HN 0.213 nan 8.190 nan 0.000 0.447 657 L N 0.467 121.660 121.223 -0.049 0.000 2.042 657 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 657 L C 2.643 179.536 176.870 0.037 0.000 1.076 657 L CA 2.405 57.252 54.840 0.011 0.000 0.749 657 L CB -1.713 40.130 42.059 -0.361 0.000 0.893 657 L HN 0.346 nan 8.230 nan 0.000 0.432 658 A N -1.811 120.976 122.820 -0.056 0.000 1.972 658 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 658 A C 2.341 179.785 177.584 -0.235 0.000 1.169 658 A CA 2.231 54.212 52.037 -0.094 0.000 0.635 658 A CB -0.752 18.152 19.000 -0.160 0.000 0.810 658 A HN 0.462 nan 8.150 nan 0.000 0.446 659 T N -1.789 112.531 114.554 -0.390 0.000 2.852 659 T HA -0.021 4.328 4.350 -0.001 0.000 0.256 659 T C 1.478 175.773 174.700 -0.675 0.000 1.038 659 T CA 1.506 63.223 62.100 -0.638 0.000 1.141 659 T CB -0.331 67.968 68.868 -0.948 0.000 0.869 659 T HN 0.610 nan 8.240 nan 0.000 0.439 660 Y N -0.694 119.419 120.300 -0.312 0.000 2.478 660 Y HA 0.356 4.905 4.550 -0.001 0.000 0.261 660 Y C 0.126 175.455 175.900 -0.952 0.000 1.127 660 Y CA -0.275 57.453 58.100 -0.620 0.000 1.288 660 Y CB 0.401 38.406 38.460 -0.758 0.000 1.084 660 Y HN 0.095 nan 8.280 nan 0.000 0.530 661 F N -0.072 119.906 119.950 0.046 0.000 2.627 661 F HA 0.340 4.866 4.527 -0.001 0.000 0.344 661 F C -2.172 173.645 175.800 0.028 0.000 1.505 661 F CA -2.647 55.378 58.000 0.041 0.000 1.111 661 F CB 0.784 39.814 39.000 0.049 0.000 1.585 661 F HN -0.169 nan 8.300 nan 0.000 0.582 662 P HA -0.069 nan 4.420 nan 0.000 0.230 662 P C 0.664 178.004 177.300 0.067 0.000 1.158 662 P CA 1.207 64.329 63.100 0.037 0.000 0.769 662 P CB 0.431 32.107 31.700 -0.040 0.000 0.807 663 D N -1.069 119.390 120.400 0.098 0.000 2.347 663 D HA 0.063 4.702 4.640 -0.001 0.000 0.213 663 D C 1.171 177.527 176.300 0.094 0.000 0.985 663 D CA 0.413 54.458 54.000 0.076 0.000 0.879 663 D CB -0.210 40.630 40.800 0.067 0.000 0.919 663 D HN 0.249 nan 8.370 nan 0.000 0.526 664 M N 0.099 119.802 119.600 0.171 0.000 2.245 664 M HA 0.118 4.597 4.480 -0.001 0.000 0.330 664 M C 0.175 176.558 176.300 0.138 0.000 1.098 664 M CA 0.843 56.270 55.300 0.213 0.000 1.172 664 M CB 0.962 33.759 32.600 0.329 0.000 1.467 664 M HN -0.294 nan 8.290 nan 0.000 0.454 665 T N 1.733 116.290 114.554 0.005 0.000 3.483 665 T HA 0.205 4.554 4.350 -0.001 0.000 0.329 665 T C -1.270 173.257 174.700 -0.288 0.000 1.014 665 T CA -0.572 61.382 62.100 -0.243 0.000 1.056 665 T CB 0.397 69.204 68.868 -0.101 0.000 1.090 665 T HN 0.478 nan 8.240 nan 0.000 0.460 666 Y N 3.503 123.377 120.300 -0.711 0.000 2.993 666 Y HA 0.314 4.863 4.550 -0.001 0.000 0.340 666 Y C 0.235 176.044 175.900 -0.152 0.000 1.273 666 Y CA 1.224 59.094 58.100 -0.382 0.000 1.545 666 Y CB 0.185 38.418 38.460 -0.379 0.000 1.275 666 Y HN 0.765 nan 8.280 nan 0.000 0.617 667 K N 4.943 124.810 120.400 -0.889 0.000 2.527 667 K HA 0.652 4.971 4.320 -0.001 0.000 0.260 667 K C -1.289 174.764 176.600 -0.912 0.000 0.937 667 K CA -0.409 55.487 56.287 -0.652 0.000 0.826 667 K CB 0.579 32.884 32.500 -0.325 0.000 1.359 667 K HN 1.283 nan 8.250 nan 0.000 0.434 668 V N 1.116 120.657 119.914 -0.622 0.000 2.585 668 V HA 0.546 4.666 4.120 -0.001 0.000 0.296 668 V C -1.972 173.840 176.094 -0.469 0.000 1.035 668 V CA -0.871 61.040 62.300 -0.649 0.000 1.084 668 V CB 0.251 31.625 31.823 -0.748 0.000 0.953 668 V HN 0.864 nan 8.190 nan 0.000 0.483 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 63.000 63.100 -0.167 0.000 0.800 669 P CB 0.000 31.691 31.700 -0.015 0.000 0.726