REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1l1y_1_C 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 3.960 3.960 0.000 0.000 0.244 28 G C 0.000 174.865 174.900 -0.058 0.000 0.946 28 G CA 0.000 45.074 45.100 -0.044 0.000 0.502 29 P HA 0.443 nan 4.420 nan 0.000 0.275 29 P C -0.152 177.051 177.300 -0.161 0.000 1.228 29 P CA 0.091 63.123 63.100 -0.114 0.000 0.786 29 P CB 1.362 32.967 31.700 -0.159 0.000 0.927 30 T N -1.100 113.364 114.554 -0.150 0.000 2.883 30 T HA 0.437 4.787 4.350 0.000 0.000 0.296 30 T C -0.305 174.263 174.700 -0.221 0.000 1.117 30 T CA -1.164 60.842 62.100 -0.158 0.000 1.006 30 T CB 1.156 69.984 68.868 -0.068 0.000 1.191 30 T HN 0.107 nan 8.240 nan 0.000 0.508 31 K N 1.233 121.440 120.400 -0.322 0.000 2.401 31 K HA 0.553 4.873 4.320 0.000 0.000 0.278 31 K C 0.494 176.847 176.600 -0.411 0.000 1.018 31 K CA -0.320 55.633 56.287 -0.557 0.000 0.981 31 K CB 0.282 32.420 32.500 -0.604 0.000 0.933 31 K HN 0.916 nan 8.250 nan 0.000 0.477 32 A N 4.958 127.484 122.820 -0.489 0.000 2.511 32 A HA 0.172 4.492 4.320 0.000 0.000 0.242 32 A C -1.114 176.284 177.584 -0.311 0.000 1.069 32 A CA -0.788 50.817 52.037 -0.720 0.000 0.763 32 A CB -0.113 18.543 19.000 -0.573 0.000 1.001 32 A HN 0.516 nan 8.150 nan 0.000 0.498 33 P HA 0.023 nan 4.420 nan 0.000 0.245 33 P C 0.279 177.571 177.300 -0.013 0.000 1.206 33 P CA 0.278 63.299 63.100 -0.132 0.000 0.781 33 P CB -0.354 31.261 31.700 -0.142 0.000 0.994 34 T N 1.468 116.022 114.554 -0.000 0.000 2.867 34 T HA 0.145 4.495 4.350 0.000 0.000 0.290 34 T C 0.799 175.621 174.700 0.203 0.000 1.025 34 T CA 0.635 62.798 62.100 0.104 0.000 1.146 34 T CB -0.182 68.732 68.868 0.076 0.000 1.024 34 T HN 0.309 nan 8.240 nan 0.000 0.519 35 K N 2.788 123.270 120.400 0.137 0.000 2.295 35 K HA 0.217 4.537 4.320 0.000 0.000 0.270 35 K C 0.188 176.892 176.600 0.174 0.000 1.011 35 K CA -0.695 55.665 56.287 0.122 0.000 0.953 35 K CB 0.147 32.683 32.500 0.061 0.000 0.956 35 K HN 0.715 nan 8.250 nan 0.000 0.477 36 D N 0.455 120.909 120.400 0.090 0.000 2.400 36 D HA 0.374 5.015 4.640 0.000 0.000 0.238 36 D C 1.437 177.744 176.300 0.011 0.000 1.157 36 D CA 1.768 55.775 54.000 0.011 0.000 0.889 36 D CB 0.756 41.518 40.800 -0.065 0.000 1.199 36 D HN 0.966 nan 8.370 nan 0.000 0.436 37 G N 0.911 109.694 108.800 -0.028 0.000 2.179 37 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 37 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 37 G C 0.489 175.364 174.900 -0.041 0.000 0.977 37 G CA 0.463 45.539 45.100 -0.040 0.000 0.641 37 G HN 0.586 nan 8.290 nan 0.000 0.533 38 T N 2.204 116.754 114.554 -0.007 0.000 2.834 38 T HA 0.475 4.825 4.350 0.000 0.000 0.298 38 T C 1.077 175.672 174.700 -0.175 0.000 0.966 38 T CA 0.544 62.607 62.100 -0.062 0.000 1.141 38 T CB 1.117 69.953 68.868 -0.054 0.000 0.905 38 T HN 1.265 nan 8.240 nan 0.000 0.535 39 S N 3.597 119.206 115.700 -0.151 0.000 2.563 39 S HA 0.024 4.494 4.470 0.000 0.000 0.284 39 S C 0.917 175.380 174.600 -0.228 0.000 1.331 39 S CA -0.366 57.731 58.200 -0.171 0.000 1.047 39 S CB 0.148 63.302 63.200 -0.077 0.000 0.859 39 S HN 0.583 nan 8.310 nan 0.000 0.514 40 Y N 1.976 122.264 120.300 -0.020 0.000 2.256 40 Y HA -0.101 4.449 4.550 0.000 0.000 0.288 40 Y C 2.459 178.329 175.900 -0.050 0.000 1.155 40 Y CA 1.664 59.738 58.100 -0.043 0.000 1.203 40 Y CB -0.603 37.847 38.460 -0.016 0.000 0.980 40 Y HN 0.811 nan 8.280 nan 0.000 0.530 41 K N 0.461 120.895 120.400 0.057 0.000 2.001 41 K HA -0.237 4.084 4.320 0.000 0.000 0.214 41 K C 1.584 178.211 176.600 0.044 0.000 1.050 41 K CA 2.224 58.514 56.287 0.004 0.000 0.934 41 K CB -0.239 32.226 32.500 -0.059 0.000 0.718 41 K HN 0.176 nan 8.250 nan 0.000 0.443 42 D N 0.709 121.100 120.400 -0.015 0.000 2.182 42 D HA -0.165 4.475 4.640 0.000 0.000 0.201 42 D C 1.973 178.231 176.300 -0.071 0.000 0.986 42 D CA 0.854 54.837 54.000 -0.027 0.000 0.847 42 D CB -0.066 40.703 40.800 -0.053 0.000 0.942 42 D HN 0.281 nan 8.370 nan 0.000 0.467 43 L N -0.222 120.914 121.223 -0.145 0.000 2.056 43 L HA -0.133 4.207 4.340 0.000 0.000 0.207 43 L C 2.340 179.075 176.870 -0.224 0.000 1.078 43 L CA 0.713 55.346 54.840 -0.346 0.000 0.749 43 L CB -0.330 41.424 42.059 -0.507 0.000 0.901 43 L HN 0.002 nan 8.230 nan 0.000 0.433 44 F N 0.694 120.553 119.950 -0.152 0.000 2.095 44 F HA -0.252 4.275 4.527 0.000 0.000 0.298 44 F C 2.200 178.010 175.800 0.017 0.000 1.104 44 F CA 1.577 59.535 58.000 -0.070 0.000 1.232 44 F CB -0.174 38.785 39.000 -0.068 0.000 0.987 44 F HN -0.107 nan 8.300 nan 0.000 0.475 45 L N 0.280 121.540 121.223 0.062 0.000 2.056 45 L HA -0.197 4.143 4.340 0.000 0.000 0.207 45 L C 2.585 179.460 176.870 0.009 0.000 1.078 45 L CA 1.902 56.776 54.840 0.057 0.000 0.749 45 L CB -0.872 41.267 42.059 0.133 0.000 0.901 45 L HN 0.321 nan 8.230 nan 0.000 0.433 46 E N 0.655 120.842 120.200 -0.023 0.000 2.051 46 E HA -0.251 4.099 4.350 0.000 0.000 0.192 46 E C 2.380 178.998 176.600 0.030 0.000 0.991 46 E CA 1.127 57.543 56.400 0.027 0.000 0.799 46 E CB -0.026 29.703 29.700 0.048 0.000 0.748 46 E HN 0.447 nan 8.360 nan 0.000 0.449 47 L N 0.177 121.365 121.223 -0.059 0.000 2.056 47 L HA -0.159 4.182 4.340 0.000 0.000 0.207 47 L C 2.486 179.268 176.870 -0.147 0.000 1.078 47 L CA 1.322 56.149 54.840 -0.022 0.000 0.749 47 L CB -0.387 41.648 42.059 -0.040 0.000 0.901 47 L HN 0.321 nan 8.230 nan 0.000 0.433 48 Y N 0.512 120.546 120.300 -0.444 0.000 2.081 48 Y HA -0.267 4.283 4.550 0.000 0.000 0.280 48 Y C 2.268 178.035 175.900 -0.221 0.000 1.163 48 Y CA 2.006 59.831 58.100 -0.457 0.000 1.135 48 Y CB -0.806 37.228 38.460 -0.710 0.000 0.970 48 Y HN 0.155 nan 8.280 nan 0.000 0.498 49 G N 0.009 108.773 108.800 -0.060 0.000 2.469 49 G HA2 -0.290 3.670 3.960 0.000 0.000 0.220 49 G HA3 -0.290 3.670 3.960 0.000 0.000 0.220 49 G C 1.652 176.494 174.900 -0.097 0.000 1.136 49 G CA 1.190 46.248 45.100 -0.070 0.000 0.759 49 G HN 0.430 nan 8.290 nan 0.000 0.562 50 K N -0.185 120.186 120.400 -0.048 0.000 2.097 50 K HA 0.113 4.433 4.320 0.000 0.000 0.205 50 K C 2.410 179.030 176.600 0.034 0.000 1.050 50 K CA 0.738 57.036 56.287 0.019 0.000 0.938 50 K CB -0.178 32.365 32.500 0.072 0.000 0.718 50 K HN 0.333 nan 8.250 nan 0.000 0.442 51 I N 1.227 121.716 120.570 -0.136 0.000 2.361 51 I HA -0.242 3.928 4.170 0.000 0.000 0.251 51 I C 1.836 177.989 176.117 0.061 0.000 1.133 51 I CA 1.113 62.273 61.300 -0.233 0.000 1.413 51 I CB -0.053 37.696 38.000 -0.418 0.000 1.073 51 I HN 0.031 nan 8.210 nan 0.000 0.424 52 K N -0.002 120.299 120.400 -0.164 0.000 2.379 52 K HA 0.063 4.383 4.320 0.000 0.000 0.194 52 K C 0.284 176.818 176.600 -0.110 0.000 1.031 52 K CA 0.133 56.293 56.287 -0.212 0.000 1.037 52 K CB -0.323 31.864 32.500 -0.523 0.000 0.824 52 K HN 0.161 nan 8.250 nan 0.000 0.516 53 D N 2.518 122.903 120.400 -0.025 0.000 2.412 53 D HA 0.004 4.644 4.640 0.000 0.000 0.257 53 D C -1.724 174.595 176.300 0.032 0.000 1.217 53 D CA -1.702 52.298 54.000 0.000 0.000 0.897 53 D CB 1.447 42.259 40.800 0.020 0.000 1.132 53 D HN -0.117 nan 8.370 nan 0.000 0.493 54 P HA -0.194 nan 4.420 nan 0.000 0.216 54 P C 1.168 178.473 177.300 0.008 0.000 1.154 54 P CA 2.266 65.365 63.100 -0.002 0.000 0.865 54 P CB 0.120 31.807 31.700 -0.022 0.000 0.789 55 K N -0.476 119.924 120.400 -0.000 0.000 2.360 55 K HA -0.124 4.196 4.320 0.000 0.000 0.201 55 K C 1.716 178.296 176.600 -0.034 0.000 1.046 55 K CA 1.534 57.814 56.287 -0.012 0.000 0.945 55 K CB -1.480 31.013 32.500 -0.011 0.000 0.750 55 K HN 0.220 nan 8.250 nan 0.000 0.464 56 N N -0.629 118.057 118.700 -0.025 0.000 2.395 56 N HA 0.054 4.794 4.740 0.000 0.000 0.175 56 N C 1.326 176.713 175.510 -0.204 0.000 1.029 56 N CA 1.146 54.133 53.050 -0.105 0.000 0.897 56 N CB 0.558 39.029 38.487 -0.027 0.000 0.991 56 N HN 0.631 nan 8.380 nan 0.000 0.441 57 G N 0.340 109.098 108.800 -0.071 0.000 2.149 57 G HA2 -0.300 3.660 3.960 0.000 0.000 0.235 57 G HA3 -0.300 3.660 3.960 0.000 0.000 0.235 57 G C 0.355 175.210 174.900 -0.075 0.000 1.018 57 G CA 0.169 45.239 45.100 -0.051 0.000 0.728 57 G HN 0.353 nan 8.290 nan 0.000 0.508 58 Y N -1.037 119.252 120.300 -0.019 0.000 2.439 58 Y HA 0.379 4.929 4.550 0.000 0.000 0.292 58 Y C 1.356 176.845 175.900 -0.684 0.000 1.130 58 Y CA 0.855 58.810 58.100 -0.241 0.000 1.254 58 Y CB 0.097 38.418 38.460 -0.232 0.000 1.000 58 Y HN 0.334 nan 8.280 nan 0.000 0.554 59 F N -1.035 118.746 119.950 -0.281 0.000 2.522 59 F HA 0.353 4.880 4.527 0.000 0.000 0.324 59 F C 0.441 175.815 175.800 -0.710 0.000 1.077 59 F CA -1.952 55.671 58.000 -0.628 0.000 0.944 59 F CB 0.951 39.664 39.000 -0.478 0.000 1.175 59 F HN -0.371 nan 8.300 nan 0.000 0.468 60 S N 1.685 116.848 115.700 -0.894 0.000 2.549 60 S HA 0.143 4.613 4.470 0.000 0.000 0.286 60 S C -2.067 172.402 174.600 -0.218 0.000 1.314 60 S CA -0.837 57.016 58.200 -0.579 0.000 1.062 60 S CB 0.910 63.754 63.200 -0.593 0.000 0.865 60 S HN 0.417 nan 8.310 nan 0.000 0.498 61 P HA -0.011 nan 4.420 nan 0.000 0.219 61 P C 0.588 177.852 177.300 -0.060 0.000 1.150 61 P CA 0.948 64.020 63.100 -0.047 0.000 0.814 61 P CB 0.088 31.787 31.700 -0.001 0.000 0.787 62 D N -0.800 119.552 120.400 -0.081 0.000 2.162 62 D HA -0.082 4.558 4.640 0.000 0.000 0.205 62 D C 1.700 177.954 176.300 -0.077 0.000 0.964 62 D CA 1.070 55.031 54.000 -0.065 0.000 0.847 62 D CB -0.119 40.645 40.800 -0.060 0.000 0.988 62 D HN 0.369 nan 8.370 nan 0.000 0.480 63 E N -0.600 119.492 120.200 -0.181 0.000 2.514 63 E HA 0.185 4.535 4.350 0.000 0.000 0.215 63 E C 1.071 177.612 176.600 -0.099 0.000 0.946 63 E CA 0.620 56.925 56.400 -0.159 0.000 1.038 63 E CB 0.465 29.843 29.700 -0.537 0.000 1.069 63 E HN 0.091 nan 8.360 nan 0.000 0.503 64 G N 2.361 111.067 108.800 -0.158 0.000 2.225 64 G HA2 -0.251 3.710 3.960 0.000 0.000 0.264 64 G HA3 -0.251 3.710 3.960 0.000 0.000 0.264 64 G C 0.016 174.863 174.900 -0.089 0.000 1.060 64 G CA 0.308 45.333 45.100 -0.126 0.000 0.833 64 G HN 0.307 nan 8.290 nan 0.000 0.498 65 I N 1.978 122.378 120.570 -0.284 0.000 2.371 65 I HA 0.248 4.419 4.170 0.000 0.000 0.290 65 I C -1.548 174.115 176.117 -0.757 0.000 1.028 65 I CA -2.373 58.676 61.300 -0.419 0.000 1.345 65 I CB 1.333 39.081 38.000 -0.419 0.000 1.407 65 I HN -0.052 nan 8.210 nan 0.000 0.501 66 P HA 0.011 nan 4.420 nan 0.000 0.271 66 P C -1.018 175.642 177.300 -1.067 0.000 1.233 66 P CA 0.148 62.312 63.100 -1.560 0.000 0.764 66 P CB 0.199 30.665 31.700 -2.058 0.000 0.825 67 Y N 1.404 121.230 120.300 -0.790 0.000 2.357 67 Y HA 0.003 4.553 4.550 0.000 0.000 0.340 67 Y C 2.441 178.152 175.900 -0.315 0.000 1.260 67 Y CA 0.297 58.096 58.100 -0.501 0.000 1.425 67 Y CB -0.195 37.934 38.460 -0.552 0.000 1.326 67 Y HN 0.508 nan 8.280 nan 0.000 0.580 68 H N 0.171 119.230 119.070 -0.020 0.000 2.352 68 H HA -0.043 4.513 4.556 0.000 0.000 0.299 68 H C -0.005 175.352 175.328 0.049 0.000 1.097 68 H CA 1.368 57.434 56.048 0.029 0.000 1.311 68 H CB 0.241 30.008 29.762 0.009 0.000 1.377 68 H HN 0.503 nan 8.280 nan 0.000 0.504 69 S N -2.292 113.412 115.700 0.007 0.000 2.596 69 S HA 0.257 4.727 4.470 0.000 0.000 0.270 69 S C 0.886 175.493 174.600 0.012 0.000 1.155 69 S CA -0.433 57.754 58.200 -0.023 0.000 0.827 69 S CB 0.637 63.778 63.200 -0.098 0.000 1.130 69 S HN 0.165 nan 8.310 nan 0.000 0.467 70 I N 0.658 121.199 120.570 -0.048 0.000 2.179 70 I HA -0.118 4.052 4.170 0.000 0.000 0.242 70 I C 0.587 176.674 176.117 -0.049 0.000 1.088 70 I CA 1.323 62.547 61.300 -0.126 0.000 1.357 70 I CB -0.359 37.402 38.000 -0.398 0.000 1.051 70 I HN 0.660 nan 8.210 nan 0.000 0.409 71 E N 0.754 120.925 120.200 -0.049 0.000 2.373 71 E HA -0.014 4.336 4.350 0.000 0.000 0.267 71 E C 1.230 177.676 176.600 -0.257 0.000 1.032 71 E CA 0.384 56.723 56.400 -0.101 0.000 0.889 71 E CB 0.587 30.315 29.700 0.046 0.000 0.984 71 E HN 0.268 nan 8.360 nan 0.000 0.425 72 T N 0.160 114.454 114.554 -0.433 0.000 2.978 72 T HA -0.031 4.319 4.350 0.000 0.000 0.262 72 T C 0.728 175.221 174.700 -0.345 0.000 1.063 72 T CA -0.099 61.557 62.100 -0.741 0.000 1.140 72 T CB 0.077 68.485 68.868 -0.767 0.000 0.886 72 T HN 0.214 nan 8.240 nan 0.000 0.470 73 L N 1.782 123.008 121.223 0.006 0.000 2.270 73 L HA 0.747 5.087 4.340 0.000 0.000 0.286 73 L C -0.846 176.139 176.870 0.192 0.000 1.059 73 L CA -1.799 53.141 54.840 0.166 0.000 0.839 73 L CB -0.233 41.883 42.059 0.093 0.000 1.221 73 L HN 0.426 nan 8.230 nan 0.000 0.431 74 I N 4.513 125.161 120.570 0.130 0.000 2.753 74 I HA 0.529 4.699 4.170 0.000 0.000 0.291 74 I C -1.705 174.419 176.117 0.011 0.000 1.425 74 I CA -0.490 60.856 61.300 0.076 0.000 1.039 74 I CB 2.296 40.112 38.000 -0.308 0.000 1.349 74 I HN 0.229 nan 8.210 nan 0.000 0.430 75 V N 7.669 127.597 119.914 0.022 0.000 2.447 75 V HA 0.548 4.668 4.120 0.000 0.000 0.292 75 V C -0.215 175.791 176.094 -0.147 0.000 1.021 75 V CA -0.218 61.939 62.300 -0.239 0.000 0.850 75 V CB 1.268 32.572 31.823 -0.865 0.000 1.005 75 V HN 0.917 nan 8.190 nan 0.000 0.426 76 E N 4.517 124.612 120.200 -0.175 0.000 4.510 76 E HA 0.526 4.876 4.350 0.000 0.000 0.137 76 E C 1.407 177.964 176.600 -0.070 0.000 1.210 76 E CA 0.055 56.389 56.400 -0.110 0.000 0.746 76 E CB 0.572 30.237 29.700 -0.059 0.000 2.029 76 E HN 0.339 nan 8.360 nan 0.000 0.467 77 A N 1.279 124.104 122.820 0.008 0.000 1.845 77 A HA 0.069 4.389 4.320 0.000 0.000 0.215 77 A C -1.273 176.492 177.584 0.300 0.000 1.195 77 A CA 1.493 53.644 52.037 0.189 0.000 0.616 77 A CB -1.856 17.278 19.000 0.224 0.000 0.832 77 A HN 0.425 nan 8.150 nan 0.000 0.443 78 P HA 0.197 nan 4.420 nan 0.000 0.274 78 P C -1.242 176.016 177.300 -0.069 0.000 1.231 78 P CA 0.175 63.266 63.100 -0.016 0.000 0.790 78 P CB 0.933 32.467 31.700 -0.277 0.000 0.951 79 D N -0.164 120.248 120.400 0.020 0.000 2.440 79 D HA 0.103 4.743 4.640 0.000 0.000 0.216 79 D C -0.617 175.831 176.300 0.247 0.000 1.150 79 D CA -0.321 53.720 54.000 0.068 0.000 0.832 79 D CB -0.501 40.388 40.800 0.149 0.000 0.992 79 D HN 0.273 nan 8.370 nan 0.000 0.502 80 Y N -0.307 119.972 120.300 -0.036 0.000 2.399 80 Y HA 0.487 5.038 4.550 0.000 0.000 0.327 80 Y C 1.135 176.934 175.900 -0.168 0.000 1.111 80 Y CA -1.007 56.985 58.100 -0.179 0.000 1.047 80 Y CB 1.900 40.104 38.460 -0.426 0.000 1.259 80 Y HN -0.129 nan 8.280 nan 0.000 0.434 81 G N 2.567 110.907 108.800 -0.766 0.000 2.462 81 G HA2 -0.201 3.760 3.960 0.000 0.000 0.220 81 G HA3 -0.201 3.760 3.960 0.000 0.000 0.220 81 G C 0.718 175.367 174.900 -0.418 0.000 1.121 81 G CA 0.905 45.711 45.100 -0.491 0.000 0.758 81 G HN 0.848 nan 8.290 nan 0.000 0.559 82 H N -0.656 117.718 119.070 -1.160 0.000 2.505 82 H HA 0.263 4.819 4.556 0.000 0.000 0.286 82 H C 1.044 176.305 175.328 -0.112 0.000 1.072 82 H CA -0.637 54.972 56.048 -0.732 0.000 1.141 82 H CB 0.615 29.789 29.762 -0.980 0.000 1.550 82 H HN 0.267 nan 8.280 nan 0.000 0.547 83 V N -0.492 119.470 119.914 0.081 0.000 3.503 83 V HA 0.179 4.299 4.120 0.000 0.000 0.300 83 V C 0.608 176.759 176.094 0.094 0.000 1.099 83 V CA -0.229 62.148 62.300 0.129 0.000 1.117 83 V CB 1.688 33.552 31.823 0.069 0.000 1.122 83 V HN 0.090 nan 8.190 nan 0.000 0.476 84 T N 0.704 115.286 114.554 0.047 0.000 2.926 84 T HA 0.785 5.135 4.350 0.000 0.000 0.289 84 T C -0.369 174.361 174.700 0.049 0.000 1.054 84 T CA 0.221 62.336 62.100 0.024 0.000 1.015 84 T CB 1.550 70.409 68.868 -0.015 0.000 1.167 84 T HN 1.472 nan 8.240 nan 0.000 0.526 85 T N -0.879 113.755 114.554 0.134 0.000 2.903 85 T HA 0.420 4.771 4.350 0.000 0.000 0.299 85 T C 1.376 176.274 174.700 0.331 0.000 1.093 85 T CA -0.093 62.112 62.100 0.175 0.000 1.002 85 T CB 1.307 70.323 68.868 0.247 0.000 1.127 85 T HN 0.596 nan 8.240 nan 0.000 0.488 86 S N 0.524 116.399 115.700 0.292 0.000 2.387 86 S HA -0.253 4.217 4.470 0.000 0.000 0.230 86 S C 1.664 176.435 174.600 0.285 0.000 1.035 86 S CA 1.467 59.831 58.200 0.274 0.000 1.014 86 S CB -0.774 62.524 63.200 0.164 0.000 0.836 86 S HN 0.900 nan 8.310 nan 0.000 0.466 87 E N 2.279 122.638 120.200 0.265 0.000 2.033 87 E HA -0.232 4.118 4.350 0.000 0.000 0.199 87 E C 2.213 179.057 176.600 0.407 0.000 1.011 87 E CA 1.339 57.896 56.400 0.261 0.000 0.815 87 E CB -0.675 29.168 29.700 0.238 0.000 0.755 87 E HN 0.623 nan 8.360 nan 0.000 0.451 88 A N 0.127 123.170 122.820 0.372 0.000 1.940 88 A HA -0.168 4.152 4.320 0.000 0.000 0.219 88 A C 1.991 179.753 177.584 0.296 0.000 1.176 88 A CA 1.497 53.737 52.037 0.339 0.000 0.631 88 A CB -0.968 18.052 19.000 0.034 0.000 0.814 88 A HN 0.423 nan 8.150 nan 0.000 0.446 89 F N 1.027 121.124 119.950 0.245 0.000 2.146 89 F HA -0.193 4.335 4.527 0.000 0.000 0.298 89 F C 3.014 178.989 175.800 0.291 0.000 1.096 89 F CA 1.742 59.897 58.000 0.258 0.000 1.275 89 F CB -0.238 38.819 39.000 0.095 0.000 1.008 89 F HN 0.377 nan 8.300 nan 0.000 0.480 90 S N -0.737 115.196 115.700 0.387 0.000 2.368 90 S HA -0.270 4.201 4.470 0.000 0.000 0.225 90 S C 1.889 176.666 174.600 0.294 0.000 1.030 90 S CA 1.193 59.522 58.200 0.215 0.000 0.999 90 S CB -1.284 61.925 63.200 0.015 0.000 0.844 90 S HN 0.400 nan 8.310 nan 0.000 0.459 91 Y N 0.406 120.958 120.300 0.420 0.000 2.274 91 Y HA -0.063 4.487 4.550 0.000 0.000 0.290 91 Y C 2.573 178.866 175.900 0.656 0.000 1.145 91 Y CA 1.415 59.837 58.100 0.535 0.000 1.203 91 Y CB -0.655 38.076 38.460 0.453 0.000 0.984 91 Y HN 0.384 nan 8.280 nan 0.000 0.533 92 Y N 0.112 120.849 120.300 0.729 0.000 2.145 92 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 92 Y C 2.250 178.495 175.900 0.575 0.000 1.145 92 Y CA 1.123 59.636 58.100 0.689 0.000 1.148 92 Y CB -0.857 37.895 38.460 0.487 0.000 0.981 92 Y HN -0.078 nan 8.280 nan 0.000 0.507 93 V N -0.837 119.343 119.914 0.444 0.000 2.332 93 V HA -0.306 3.814 4.120 0.000 0.000 0.248 93 V C 2.203 178.629 176.094 0.553 0.000 1.055 93 V CA 1.919 64.454 62.300 0.391 0.000 1.038 93 V CB -1.088 30.989 31.823 0.422 0.000 0.651 93 V HN 0.559 nan 8.190 nan 0.000 0.450 94 W N 0.406 121.918 121.300 0.352 0.000 2.333 94 W HA -0.182 4.478 4.660 0.000 0.000 0.316 94 W C 2.359 179.129 176.519 0.418 0.000 1.215 94 W CA 1.759 59.308 57.345 0.341 0.000 1.278 94 W CB -1.020 28.563 29.460 0.205 0.000 1.154 94 W HN 0.252 nan 8.180 nan 0.000 0.486 95 L N 1.348 122.946 121.223 0.624 0.000 2.043 95 L HA -0.238 4.102 4.340 0.000 0.000 0.212 95 L C 2.318 179.573 176.870 0.642 0.000 1.075 95 L CA 2.262 57.448 54.840 0.577 0.000 0.752 95 L CB -0.882 41.499 42.059 0.537 0.000 0.891 95 L HN -0.126 nan 8.230 nan 0.000 0.432 96 E N -0.306 120.251 120.200 0.595 0.000 2.152 96 E HA -0.107 4.243 4.350 0.000 0.000 0.192 96 E C 2.211 179.099 176.600 0.480 0.000 0.983 96 E CA 1.070 57.778 56.400 0.514 0.000 0.818 96 E CB -0.415 29.519 29.700 0.390 0.000 0.758 96 E HN 0.644 nan 8.360 nan 0.000 0.467 97 A N 1.397 124.576 122.820 0.598 0.000 1.858 97 A HA -0.201 4.119 4.320 0.000 0.000 0.216 97 A C 2.236 180.199 177.584 0.633 0.000 1.190 97 A CA 1.978 54.482 52.037 0.777 0.000 0.617 97 A CB -0.470 19.047 19.000 0.862 0.000 0.827 97 A HN 0.205 nan 8.150 nan 0.000 0.443 98 M N -1.757 118.110 119.600 0.446 0.000 2.159 98 M HA -0.124 4.356 4.480 0.000 0.000 0.263 98 M C 1.901 177.988 176.300 -0.355 0.000 1.063 98 M CA 1.719 56.958 55.300 -0.101 0.000 1.110 98 M CB -0.797 31.651 32.600 -0.253 0.000 1.374 98 M HN 0.529 nan 8.290 nan 0.000 0.411 99 Y N -0.079 120.136 120.300 -0.141 0.000 2.163 99 Y HA -0.003 4.548 4.550 0.000 0.000 0.288 99 Y C 2.113 177.695 175.900 -0.530 0.000 1.136 99 Y CA 2.000 59.931 58.100 -0.283 0.000 1.147 99 Y CB -0.951 37.241 38.460 -0.448 0.000 0.987 99 Y HN 0.266 nan 8.280 nan 0.000 0.509 100 G N 0.255 108.604 108.800 -0.751 0.000 2.446 100 G HA2 -0.412 3.548 3.960 0.000 0.000 0.217 100 G HA3 -0.412 3.548 3.960 0.000 0.000 0.217 100 G C 1.628 175.783 174.900 -1.243 0.000 1.168 100 G CA 1.026 45.053 45.100 -1.789 0.000 0.771 100 G HN 0.584 nan 8.290 nan 0.000 0.551 101 N N 0.154 118.467 118.700 -0.645 0.000 2.021 101 N HA -0.105 4.635 4.740 0.000 0.000 0.198 101 N C 2.137 177.313 175.510 -0.557 0.000 1.041 101 N CA 1.168 53.947 53.050 -0.451 0.000 0.862 101 N CB -0.235 37.594 38.487 -1.096 0.000 1.048 101 N HN 0.329 nan 8.380 nan 0.000 0.427 102 L N -0.746 120.079 121.223 -0.664 0.000 2.554 102 L HA 0.018 4.359 4.340 0.000 0.000 0.226 102 L C 1.526 178.111 176.870 -0.475 0.000 1.137 102 L CA 0.559 55.067 54.840 -0.553 0.000 0.863 102 L CB 0.188 41.898 42.059 -0.582 0.000 0.985 102 L HN 0.272 nan 8.230 nan 0.000 0.451 103 T N -1.997 112.203 114.554 -0.591 0.000 3.048 103 T HA 0.203 4.553 4.350 0.000 0.000 0.254 103 T C 1.213 175.654 174.700 -0.432 0.000 0.942 103 T CA 0.714 62.466 62.100 -0.579 0.000 0.931 103 T CB 0.795 69.031 68.868 -1.054 0.000 1.220 103 T HN 0.388 nan 8.240 nan 0.000 0.503 104 G N 2.351 110.873 108.800 -0.464 0.000 2.179 104 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 104 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 104 G C 0.034 174.749 174.900 -0.307 0.000 0.977 104 G CA 0.304 45.245 45.100 -0.265 0.000 0.641 104 G HN 0.628 nan 8.290 nan 0.000 0.533 105 N N -0.636 117.776 118.700 -0.479 0.000 2.437 105 N HA 0.436 5.176 4.740 0.000 0.000 0.259 105 N C 0.582 175.911 175.510 -0.301 0.000 0.983 105 N CA -0.915 52.002 53.050 -0.221 0.000 0.937 105 N CB 0.433 38.903 38.487 -0.028 0.000 1.122 105 N HN 0.292 nan 8.380 nan 0.000 0.499 106 W N 1.858 123.233 121.300 0.125 0.000 3.220 106 W HA 0.101 4.761 4.660 0.000 0.000 0.328 106 W C 2.222 178.837 176.519 0.161 0.000 1.205 106 W CA -0.377 57.057 57.345 0.147 0.000 1.773 106 W CB 0.470 29.993 29.460 0.105 0.000 1.086 106 W HN 0.603 nan 8.180 nan 0.000 0.622 107 S N -0.468 115.411 115.700 0.298 0.000 2.368 107 S HA -0.137 4.333 4.470 0.000 0.000 0.225 107 S C 2.170 176.912 174.600 0.237 0.000 1.030 107 S CA 1.380 59.722 58.200 0.238 0.000 0.999 107 S CB -1.248 62.060 63.200 0.180 0.000 0.844 107 S HN 0.273 nan 8.310 nan 0.000 0.459 108 G N 1.559 110.508 108.800 0.247 0.000 2.507 108 G HA2 -0.189 3.771 3.960 0.000 0.000 0.221 108 G HA3 -0.189 3.771 3.960 0.000 0.000 0.221 108 G C 1.399 176.440 174.900 0.235 0.000 1.119 108 G CA 1.217 46.460 45.100 0.239 0.000 0.751 108 G HN 0.498 nan 8.290 nan 0.000 0.574 109 V N 1.116 121.224 119.914 0.324 0.000 2.307 109 V HA -0.048 4.072 4.120 0.000 0.000 0.245 109 V C 3.249 179.508 176.094 0.275 0.000 1.045 109 V CA 2.649 65.152 62.300 0.338 0.000 1.024 109 V CB -0.996 31.109 31.823 0.469 0.000 0.651 109 V HN 0.637 nan 8.190 nan 0.000 0.449 110 E N -0.193 120.155 120.200 0.247 0.000 2.077 110 E HA -0.291 4.059 4.350 0.000 0.000 0.193 110 E C 2.169 178.902 176.600 0.221 0.000 0.989 110 E CA 2.144 58.670 56.400 0.209 0.000 0.800 110 E CB -1.352 28.447 29.700 0.164 0.000 0.746 110 E HN 0.655 nan 8.360 nan 0.000 0.452 111 T N 0.165 114.836 114.554 0.194 0.000 2.708 111 T HA 0.041 4.391 4.350 0.000 0.000 0.266 111 T C 2.387 177.202 174.700 0.191 0.000 1.037 111 T CA 1.824 64.037 62.100 0.189 0.000 1.146 111 T CB -0.514 68.461 68.868 0.178 0.000 0.865 111 T HN 0.622 nan 8.240 nan 0.000 0.435 112 A N 0.993 123.835 122.820 0.037 0.000 1.883 112 A HA -0.138 4.182 4.320 0.000 0.000 0.217 112 A C 2.187 179.858 177.584 0.146 0.000 1.186 112 A CA 1.367 53.252 52.037 -0.253 0.000 0.624 112 A CB -0.982 17.580 19.000 -0.729 0.000 0.822 112 A HN 0.708 nan 8.150 nan 0.000 0.444 113 W N 0.802 122.147 121.300 0.074 0.000 2.436 113 W HA -0.078 4.582 4.660 0.000 0.000 0.284 113 W C 2.131 178.719 176.519 0.114 0.000 1.225 113 W CA 1.737 59.148 57.345 0.111 0.000 1.271 113 W CB -0.150 29.371 29.460 0.102 0.000 1.114 113 W HN 0.478 nan 8.180 nan 0.000 0.559 114 K N 0.390 120.993 120.400 0.338 0.000 2.026 114 K HA -0.182 4.139 4.320 0.000 0.000 0.208 114 K C 1.808 178.525 176.600 0.195 0.000 1.048 114 K CA 1.962 58.391 56.287 0.237 0.000 0.929 114 K CB -0.496 32.125 32.500 0.202 0.000 0.713 114 K HN -0.086 nan 8.250 nan 0.000 0.439 115 V N 2.006 122.096 119.914 0.293 0.000 2.287 115 V HA -0.317 3.803 4.120 0.000 0.000 0.248 115 V C 2.518 178.818 176.094 0.344 0.000 1.053 115 V CA 2.221 64.793 62.300 0.453 0.000 1.027 115 V CB -0.510 31.672 31.823 0.598 0.000 0.646 115 V HN 0.517 nan 8.190 nan 0.000 0.447 116 M N -0.286 119.372 119.600 0.097 0.000 2.080 116 M HA -0.262 4.219 4.480 0.000 0.000 0.260 116 M C 2.246 178.291 176.300 -0.424 0.000 1.068 116 M CA 2.269 57.258 55.300 -0.518 0.000 1.109 116 M CB -0.263 31.940 32.600 -0.663 0.000 1.342 116 M HN 0.407 nan 8.290 nan 0.000 0.405 117 E N -0.184 119.866 120.200 -0.249 0.000 2.152 117 E HA -0.203 4.148 4.350 0.000 0.000 0.192 117 E C 1.314 177.810 176.600 -0.174 0.000 0.983 117 E CA 1.284 57.591 56.400 -0.156 0.000 0.818 117 E CB 0.115 29.852 29.700 0.063 0.000 0.758 117 E HN 0.520 nan 8.360 nan 0.000 0.467 118 D N -1.192 119.085 120.400 -0.206 0.000 2.183 118 D HA -0.116 4.524 4.640 0.000 0.000 0.203 118 D C 0.971 176.797 176.300 -0.791 0.000 0.969 118 D CA 0.920 54.613 54.000 -0.512 0.000 0.842 118 D CB 0.003 40.448 40.800 -0.592 0.000 0.957 118 D HN 0.346 nan 8.370 nan 0.000 0.484 119 W N -0.548 120.685 121.300 -0.111 0.000 3.412 119 W HA 0.362 5.022 4.660 0.000 0.000 0.236 119 W C 1.901 178.298 176.519 -0.204 0.000 1.030 119 W CA -0.423 56.836 57.345 -0.143 0.000 1.850 119 W CB 0.009 29.432 29.460 -0.061 0.000 0.979 119 W HN -0.266 nan 8.180 nan 0.000 0.716 120 I N 0.285 120.789 120.570 -0.110 0.000 3.941 120 I HA 0.237 4.407 4.170 0.000 0.000 0.321 120 I C 0.015 176.136 176.117 0.006 0.000 1.284 120 I CA 0.259 61.523 61.300 -0.061 0.000 1.226 120 I CB 0.372 38.162 38.000 -0.350 0.000 1.045 120 I HN -0.283 nan 8.210 nan 0.000 0.420 121 I N 3.034 123.503 120.570 -0.169 0.000 2.304 121 I HA 0.267 4.437 4.170 0.000 0.000 0.291 121 I C -2.207 173.791 176.117 -0.199 0.000 1.018 121 I CA -2.039 59.106 61.300 -0.259 0.000 1.260 121 I CB 0.669 38.383 38.000 -0.478 0.000 1.390 121 I HN -0.107 nan 8.210 nan 0.000 0.475 122 P HA -0.002 nan 4.420 nan 0.000 0.261 122 P C -0.958 176.185 177.300 -0.263 0.000 1.203 122 P CA -0.143 62.671 63.100 -0.477 0.000 0.767 122 P CB 0.116 31.260 31.700 -0.927 0.000 0.785 123 D N 1.146 121.436 120.400 -0.185 0.000 2.414 123 D HA 0.007 4.647 4.640 0.000 0.000 0.259 123 D C 1.299 177.514 176.300 -0.140 0.000 1.269 123 D CA -0.373 53.551 54.000 -0.127 0.000 1.028 123 D CB -0.211 40.527 40.800 -0.103 0.000 1.093 123 D HN 0.233 nan 8.370 nan 0.000 0.545 124 S N -1.371 114.272 115.700 -0.095 0.000 2.368 124 S HA -0.225 4.245 4.470 0.000 0.000 0.224 124 S C 1.896 176.417 174.600 -0.133 0.000 1.029 124 S CA 1.596 59.740 58.200 -0.092 0.000 0.988 124 S CB -1.714 61.461 63.200 -0.042 0.000 0.838 124 S HN 0.720 nan 8.310 nan 0.000 0.462 125 T N 0.067 114.551 114.554 -0.117 0.000 2.946 125 T HA -0.030 4.320 4.350 0.000 0.000 0.271 125 T C 1.319 175.905 174.700 -0.190 0.000 1.104 125 T CA 1.418 63.445 62.100 -0.122 0.000 1.114 125 T CB -0.532 68.286 68.868 -0.082 0.000 0.867 125 T HN 0.652 nan 8.240 nan 0.000 0.513 126 E N 0.627 120.680 120.200 -0.245 0.000 2.481 126 E HA 0.114 4.464 4.350 0.000 0.000 0.198 126 E C 0.428 176.622 176.600 -0.678 0.000 1.027 126 E CA 0.002 56.203 56.400 -0.333 0.000 0.900 126 E CB 0.331 29.893 29.700 -0.230 0.000 0.993 126 E HN 0.639 nan 8.360 nan 0.000 0.482 127 Q N 1.174 120.562 119.800 -0.686 0.000 2.831 127 Q HA 0.223 4.563 4.340 0.000 0.000 0.366 127 Q C -2.594 173.099 176.000 -0.510 0.000 0.899 127 Q CA -1.858 53.288 55.803 -1.095 0.000 0.987 127 Q CB 1.061 29.541 28.738 -0.431 0.000 1.382 127 Q HN -0.025 nan 8.270 nan 0.000 0.403 128 P HA 0.071 nan 4.420 nan 0.000 0.271 128 P C 0.756 178.194 177.300 0.230 0.000 1.233 128 P CA 0.745 63.823 63.100 -0.036 0.000 0.764 128 P CB 0.873 32.552 31.700 -0.035 0.000 0.825 129 G N 3.130 112.030 108.800 0.167 0.000 2.132 129 G HA2 -0.320 3.640 3.960 0.000 0.000 0.234 129 G HA3 -0.320 3.640 3.960 0.000 0.000 0.234 129 G C 0.749 175.792 174.900 0.239 0.000 0.989 129 G CA 0.239 45.445 45.100 0.178 0.000 0.676 129 G HN 0.445 nan 8.290 nan 0.000 0.522 130 M N 1.809 121.582 119.600 0.288 0.000 2.229 130 M HA 0.041 4.521 4.480 0.000 0.000 0.264 130 M C 2.590 179.060 176.300 0.282 0.000 1.063 130 M CA 2.411 57.900 55.300 0.316 0.000 1.114 130 M CB -0.387 32.404 32.600 0.318 0.000 1.387 130 M HN 0.714 nan 8.290 nan 0.000 0.420 131 S N -1.855 113.980 115.700 0.224 0.000 2.500 131 S HA -0.058 4.412 4.470 0.000 0.000 0.239 131 S C 1.711 176.435 174.600 0.206 0.000 0.989 131 S CA 1.270 59.594 58.200 0.208 0.000 0.951 131 S CB -0.674 62.615 63.200 0.148 0.000 0.759 131 S HN 0.479 nan 8.310 nan 0.000 0.523 132 S N 0.075 115.903 115.700 0.213 0.000 2.575 132 S HA 0.230 4.700 4.470 0.000 0.000 0.215 132 S C 0.223 174.945 174.600 0.204 0.000 0.966 132 S CA -0.609 57.706 58.200 0.192 0.000 0.911 132 S CB -0.349 62.970 63.200 0.198 0.000 0.780 132 S HN 0.675 nan 8.310 nan 0.000 0.514 133 Y N 3.736 124.093 120.300 0.095 0.000 2.702 133 Y HA 0.186 4.736 4.550 0.000 0.000 0.336 133 Y C 0.151 176.035 175.900 -0.027 0.000 1.235 133 Y CA -0.229 57.882 58.100 0.018 0.000 1.492 133 Y CB 0.255 38.647 38.460 -0.113 0.000 1.308 133 Y HN -0.017 nan 8.280 nan 0.000 0.589 134 N N 7.689 125.944 118.700 -0.743 0.000 2.518 134 N HA 0.320 5.060 4.740 0.000 0.000 0.254 134 N C -2.344 172.622 175.510 -0.908 0.000 0.979 134 N CA -2.526 50.172 53.050 -0.586 0.000 0.930 134 N CB 1.744 40.069 38.487 -0.271 0.000 1.152 134 N HN 0.329 nan 8.380 nan 0.000 0.505 135 P HA -0.054 nan 4.420 nan 0.000 0.219 135 P C 0.430 177.491 177.300 -0.399 0.000 1.146 135 P CA 1.092 63.906 63.100 -0.477 0.000 0.808 135 P CB 0.413 31.998 31.700 -0.191 0.000 0.779 136 N N -1.677 116.844 118.700 -0.299 0.000 2.398 136 N HA 0.029 4.769 4.740 0.000 0.000 0.188 136 N C 0.267 175.665 175.510 -0.187 0.000 1.122 136 N CA 0.636 53.558 53.050 -0.213 0.000 0.866 136 N CB 0.168 38.571 38.487 -0.140 0.000 0.970 136 N HN -0.029 nan 8.380 nan 0.000 0.462 137 S N 0.667 116.228 115.700 -0.232 0.000 2.606 137 S HA 0.231 4.701 4.470 0.000 0.000 0.156 137 S C -1.957 172.565 174.600 -0.130 0.000 1.308 137 S CA -0.981 57.141 58.200 -0.131 0.000 1.228 137 S CB 0.640 63.795 63.200 -0.076 0.000 1.568 137 S HN -0.039 nan 8.310 nan 0.000 0.397 138 P HA 0.092 nan 4.420 nan 0.000 0.215 138 P C 0.466 178.015 177.300 0.415 0.000 1.153 138 P CA 0.997 64.147 63.100 0.084 0.000 0.853 138 P CB 0.241 32.033 31.700 0.153 0.000 0.788 139 A N -2.075 120.974 122.820 0.383 0.000 2.515 139 A HA 0.622 4.942 4.320 0.000 0.000 0.299 139 A C -1.136 176.565 177.584 0.195 0.000 1.179 139 A CA -0.373 51.909 52.037 0.409 0.000 0.656 139 A CB 0.642 20.004 19.000 0.604 0.000 1.306 139 A HN -0.119 nan 8.150 nan 0.000 0.459 140 T N 0.968 115.535 114.554 0.023 0.000 2.770 140 T HA 0.480 4.830 4.350 0.000 0.000 0.283 140 T C -0.560 173.916 174.700 -0.373 0.000 0.988 140 T CA 0.079 62.035 62.100 -0.238 0.000 0.957 140 T CB 0.427 68.958 68.868 -0.562 0.000 0.930 140 T HN 0.526 nan 8.240 nan 0.000 0.443 141 Y N 3.027 122.930 120.300 -0.661 0.000 2.788 141 Y HA 0.338 4.888 4.550 0.000 0.000 0.341 141 Y C 0.095 175.648 175.900 -0.578 0.000 1.258 141 Y CA 0.104 57.575 58.100 -1.048 0.000 1.503 141 Y CB 0.163 38.193 38.460 -0.717 0.000 1.325 141 Y HN 0.785 nan 8.280 nan 0.000 0.614 142 A N 4.687 126.653 122.820 -1.423 0.000 2.587 142 A HA 0.450 4.770 4.320 0.000 0.000 0.293 142 A C -1.367 175.560 177.584 -1.095 0.000 1.087 142 A CA -1.010 50.486 52.037 -0.903 0.000 0.692 142 A CB 1.054 19.849 19.000 -0.342 0.000 1.291 142 A HN 0.671 nan 8.150 nan 0.000 0.407 143 D N 0.990 121.030 120.400 -0.600 0.000 2.344 143 D HA 0.414 5.054 4.640 0.000 0.000 0.244 143 D C -0.173 175.779 176.300 -0.579 0.000 1.134 143 D CA 0.374 54.032 54.000 -0.570 0.000 0.930 143 D CB 0.848 41.164 40.800 -0.806 0.000 1.175 143 D HN 0.506 nan 8.370 nan 0.000 0.437 144 E N 0.221 120.124 120.200 -0.496 0.000 2.202 144 E HA 0.411 4.761 4.350 0.000 0.000 0.272 144 E C -0.877 175.411 176.600 -0.519 0.000 0.951 144 E CA -0.659 55.567 56.400 -0.290 0.000 0.813 144 E CB 1.472 31.139 29.700 -0.055 0.000 1.151 144 E HN 0.334 nan 8.360 nan 0.000 0.398 145 Y N 0.258 120.568 120.300 0.017 0.000 2.536 145 Y HA 0.146 4.696 4.550 0.000 0.000 0.347 145 Y C 0.781 176.651 175.900 -0.051 0.000 1.000 145 Y CA -0.808 57.191 58.100 -0.167 0.000 1.051 145 Y CB 1.503 39.720 38.460 -0.404 0.000 1.259 145 Y HN 0.493 nan 8.280 nan 0.000 0.468 146 E N 0.171 120.334 120.200 -0.062 0.000 2.401 146 E HA -0.107 4.243 4.350 0.000 0.000 0.199 146 E C -0.453 176.210 176.600 0.105 0.000 1.023 146 E CA 1.057 57.442 56.400 -0.026 0.000 0.859 146 E CB 0.243 29.896 29.700 -0.078 0.000 0.780 146 E HN 0.380 nan 8.360 nan 0.000 0.523 147 D N -2.184 118.366 120.400 0.249 0.000 2.859 147 D HA 0.099 4.739 4.640 0.000 0.000 0.223 147 D C -2.257 174.280 176.300 0.394 0.000 1.218 147 D CA -2.059 52.133 54.000 0.319 0.000 0.850 147 D CB 1.973 42.995 40.800 0.371 0.000 1.656 147 D HN -0.302 nan 8.370 nan 0.000 0.484 148 P HA -0.121 nan 4.420 nan 0.000 0.221 148 P C 1.352 178.631 177.300 -0.035 0.000 1.145 148 P CA 0.936 64.134 63.100 0.162 0.000 0.795 148 P CB 0.147 31.907 31.700 0.100 0.000 0.775 149 S N -1.921 113.532 115.700 -0.411 0.000 2.423 149 S HA -0.187 4.284 4.470 0.000 0.000 0.231 149 S C 1.728 175.936 174.600 -0.653 0.000 1.014 149 S CA 0.724 58.175 58.200 -1.247 0.000 0.965 149 S CB -1.645 61.019 63.200 -0.894 0.000 0.785 149 S HN 0.116 nan 8.310 nan 0.000 0.495 150 Y N 0.738 120.869 120.300 -0.282 0.000 2.639 150 Y HA 0.208 4.758 4.550 0.000 0.000 0.297 150 Y C 0.294 175.946 175.900 -0.413 0.000 1.151 150 Y CA -0.029 57.820 58.100 -0.417 0.000 1.335 150 Y CB -0.536 37.544 38.460 -0.633 0.000 0.994 150 Y HN 0.281 nan 8.280 nan 0.000 0.548 151 Y N 0.602 120.892 120.300 -0.018 0.000 2.352 151 Y HA 0.368 4.918 4.550 0.000 0.000 0.326 151 Y C -2.014 173.940 175.900 0.090 0.000 1.166 151 Y CA -3.695 54.464 58.100 0.098 0.000 1.182 151 Y CB 0.391 38.967 38.460 0.193 0.000 1.216 151 Y HN -0.170 nan 8.280 nan 0.000 0.474 152 P HA 0.126 nan 4.420 nan 0.000 0.276 152 P C -0.691 176.678 177.300 0.115 0.000 1.244 152 P CA -0.597 62.643 63.100 0.233 0.000 0.801 152 P CB 1.099 32.890 31.700 0.152 0.000 1.006 153 S N 0.105 115.902 115.700 0.163 0.000 2.541 153 S HA 0.203 4.673 4.470 0.000 0.000 0.283 153 S C -0.417 174.250 174.600 0.111 0.000 1.196 153 S CA -0.623 57.650 58.200 0.121 0.000 1.062 153 S CB 0.101 63.347 63.200 0.076 0.000 1.009 153 S HN 0.431 nan 8.310 nan 0.000 0.502 154 E N 4.346 124.602 120.200 0.093 0.000 2.200 154 E HA 0.278 4.628 4.350 0.000 0.000 0.283 154 E C -0.567 176.014 176.600 -0.033 0.000 1.015 154 E CA -0.542 55.890 56.400 0.053 0.000 0.819 154 E CB 0.564 30.307 29.700 0.071 0.000 1.081 154 E HN 0.633 nan 8.360 nan 0.000 0.397 155 L N 4.764 125.931 121.223 -0.093 0.000 2.513 155 L HA 0.060 4.400 4.340 0.000 0.000 0.272 155 L C 0.270 176.981 176.870 -0.265 0.000 1.187 155 L CA 0.650 55.310 54.840 -0.299 0.000 0.895 155 L CB 0.078 41.842 42.059 -0.492 0.000 1.147 155 L HN 0.428 nan 8.230 nan 0.000 0.483 156 K N 4.106 124.350 120.400 -0.261 0.000 2.419 156 K HA 0.225 4.546 4.320 0.000 0.000 0.244 156 K C 0.280 176.797 176.600 -0.138 0.000 1.045 156 K CA -0.270 55.962 56.287 -0.092 0.000 1.004 156 K CB 0.687 33.217 32.500 0.050 0.000 1.376 156 K HN 0.367 nan 8.250 nan 0.000 0.460 157 F N 0.994 120.925 119.950 -0.031 0.000 2.234 157 F HA -0.192 4.335 4.527 0.000 0.000 0.299 157 F C 2.204 177.977 175.800 -0.045 0.000 1.087 157 F CA 2.008 59.980 58.000 -0.048 0.000 1.340 157 F CB 0.276 39.237 39.000 -0.064 0.000 1.031 157 F HN 0.686 nan 8.300 nan 0.000 0.500 158 D N -2.687 117.786 120.400 0.123 0.000 2.448 158 D HA 0.026 4.666 4.640 0.000 0.000 0.256 158 D C 1.662 177.965 176.300 0.005 0.000 1.108 158 D CA 0.721 54.754 54.000 0.054 0.000 0.848 158 D CB -0.587 40.241 40.800 0.046 0.000 1.281 158 D HN 0.092 nan 8.370 nan 0.000 0.509 159 T N 0.034 114.586 114.554 -0.002 0.000 3.169 159 T HA 0.365 4.715 4.350 0.000 0.000 0.250 159 T C -0.300 174.353 174.700 -0.078 0.000 1.111 159 T CA 0.460 62.543 62.100 -0.029 0.000 1.010 159 T CB -0.390 68.472 68.868 -0.012 0.000 0.984 159 T HN 0.188 nan 8.240 nan 0.000 0.537 160 V N 1.821 121.675 119.914 -0.101 0.000 2.577 160 V HA 0.436 4.556 4.120 0.000 0.000 0.294 160 V C -0.249 175.754 176.094 -0.151 0.000 1.052 160 V CA -1.200 60.987 62.300 -0.189 0.000 0.891 160 V CB 1.661 33.280 31.823 -0.341 0.000 1.017 160 V HN 0.178 nan 8.190 nan 0.000 0.436 161 R N 2.924 123.344 120.500 -0.134 0.000 2.390 161 R HA 0.657 4.997 4.340 0.000 0.000 0.291 161 R C -0.734 175.509 176.300 -0.095 0.000 1.070 161 R CA -0.254 55.791 56.100 -0.092 0.000 1.014 161 R CB 1.479 31.739 30.300 -0.068 0.000 1.007 161 R HN 0.533 nan 8.270 nan 0.000 0.466 162 V N 3.835 123.727 119.914 -0.036 0.000 2.567 162 V HA 0.329 4.449 4.120 0.000 0.000 0.289 162 V C 1.116 177.244 176.094 0.056 0.000 1.049 162 V CA -0.138 62.192 62.300 0.050 0.000 0.969 162 V CB 1.588 33.480 31.823 0.115 0.000 0.995 162 V HN 1.024 nan 8.190 nan 0.000 0.471 163 G N 3.059 111.938 108.800 0.131 0.000 2.570 163 G HA2 0.346 4.306 3.960 0.000 0.000 0.276 163 G HA3 0.346 4.306 3.960 0.000 0.000 0.276 163 G C -0.061 174.808 174.900 -0.051 0.000 1.346 163 G CA -0.269 44.884 45.100 0.088 0.000 1.034 163 G HN 0.657 nan 8.290 nan 0.000 0.512 164 S N -0.708 114.901 115.700 -0.152 0.000 2.593 164 S HA 0.355 4.826 4.470 0.000 0.000 0.297 164 S C -0.758 173.418 174.600 -0.707 0.000 1.112 164 S CA -0.432 57.545 58.200 -0.371 0.000 1.043 164 S CB 1.686 64.751 63.200 -0.224 0.000 1.054 164 S HN 0.600 nan 8.310 nan 0.000 0.516 165 D N 2.360 122.239 120.400 -0.867 0.000 2.396 165 D HA 0.303 4.943 4.640 0.000 0.000 0.225 165 D C -1.802 174.204 176.300 -0.490 0.000 1.121 165 D CA -2.041 51.373 54.000 -0.977 0.000 0.853 165 D CB 1.285 41.612 40.800 -0.788 0.000 1.043 165 D HN 0.140 nan 8.370 nan 0.000 0.500 166 P HA 0.056 nan 4.420 nan 0.000 0.257 166 P C 0.741 177.881 177.300 -0.267 0.000 1.281 166 P CA 0.049 62.906 63.100 -0.405 0.000 0.826 166 P CB 0.943 32.237 31.700 -0.677 0.000 1.237 167 V N -1.857 117.928 119.914 -0.215 0.000 3.431 167 V HA 0.007 4.127 4.120 0.000 0.000 0.255 167 V C 2.264 178.353 176.094 -0.008 0.000 1.403 167 V CA 0.402 62.668 62.300 -0.056 0.000 1.101 167 V CB -0.460 31.349 31.823 -0.023 0.000 0.891 167 V HN 0.061 nan 8.190 nan 0.000 0.446 168 H N 1.569 120.601 119.070 -0.063 0.000 2.353 168 H HA -0.164 4.393 4.556 0.000 0.000 0.298 168 H C 2.166 177.512 175.328 0.031 0.000 1.103 168 H CA 2.560 58.620 56.048 0.019 0.000 1.293 168 H CB 0.225 30.075 29.762 0.146 0.000 1.372 168 H HN 0.363 nan 8.280 nan 0.000 0.501 169 N N 0.157 118.882 118.700 0.041 0.000 2.142 169 N HA -0.134 4.606 4.740 0.000 0.000 0.186 169 N C 1.653 177.129 175.510 -0.057 0.000 1.023 169 N CA 1.290 54.339 53.050 -0.002 0.000 0.852 169 N CB -0.591 37.914 38.487 0.030 0.000 0.998 169 N HN 0.471 nan 8.380 nan 0.000 0.424 170 D N 0.940 121.313 120.400 -0.045 0.000 2.126 170 D HA -0.118 4.522 4.640 0.000 0.000 0.190 170 D C 2.073 178.299 176.300 -0.123 0.000 1.001 170 D CA 1.004 54.968 54.000 -0.059 0.000 0.841 170 D CB -0.191 40.604 40.800 -0.008 0.000 0.949 170 D HN 0.146 nan 8.370 nan 0.000 0.446 171 L N -0.538 120.595 121.223 -0.149 0.000 2.017 171 L HA -0.157 4.183 4.340 0.000 0.000 0.208 171 L C 2.642 179.442 176.870 -0.117 0.000 1.073 171 L CA 0.579 55.310 54.840 -0.181 0.000 0.745 171 L CB -0.493 41.357 42.059 -0.347 0.000 0.894 171 L HN 0.029 nan 8.230 nan 0.000 0.432 172 V N -0.741 119.069 119.914 -0.173 0.000 2.255 172 V HA -0.324 3.796 4.120 0.000 0.000 0.247 172 V C 2.623 178.669 176.094 -0.080 0.000 1.051 172 V CA 2.145 64.384 62.300 -0.102 0.000 1.018 172 V CB -0.572 31.183 31.823 -0.114 0.000 0.641 172 V HN 0.389 nan 8.190 nan 0.000 0.445 173 S N -0.124 115.512 115.700 -0.107 0.000 2.392 173 S HA -0.267 4.203 4.470 0.000 0.000 0.232 173 S C 2.063 176.548 174.600 -0.191 0.000 1.041 173 S CA 1.748 59.878 58.200 -0.116 0.000 1.026 173 S CB -0.445 62.691 63.200 -0.107 0.000 0.845 173 S HN 0.700 nan 8.310 nan 0.000 0.465 174 A N -0.571 122.045 122.820 -0.340 0.000 1.943 174 A HA 0.169 4.489 4.320 0.000 0.000 0.213 174 A C 1.412 178.627 177.584 -0.614 0.000 1.181 174 A CA 0.761 52.414 52.037 -0.639 0.000 0.653 174 A CB -0.237 18.083 19.000 -1.133 0.000 0.833 174 A HN 0.586 nan 8.150 nan 0.000 0.451 175 Y N -1.489 118.800 120.300 -0.018 0.000 2.471 175 Y HA 0.456 5.006 4.550 0.000 0.000 0.249 175 Y C 1.290 177.227 175.900 0.062 0.000 1.116 175 Y CA -0.206 57.925 58.100 0.051 0.000 1.240 175 Y CB 0.250 38.834 38.460 0.206 0.000 1.251 175 Y HN 0.532 nan 8.280 nan 0.000 0.527 176 G N 1.309 110.197 108.800 0.147 0.000 2.610 176 G HA2 -0.170 3.790 3.960 0.000 0.000 0.304 176 G HA3 -0.170 3.790 3.960 0.000 0.000 0.304 176 G C -2.178 172.802 174.900 0.133 0.000 1.309 176 G CA -0.383 44.786 45.100 0.115 0.000 0.906 176 G HN -0.049 nan 8.290 nan 0.000 0.521 177 P HA 0.076 nan 4.420 nan 0.000 0.230 177 P C 0.487 177.879 177.300 0.153 0.000 1.168 177 P CA 0.509 63.697 63.100 0.147 0.000 0.793 177 P CB 0.028 31.822 31.700 0.155 0.000 0.851 178 N N 0.454 119.219 118.700 0.108 0.000 2.381 178 N HA 0.211 4.951 4.740 0.000 0.000 0.254 178 N C 0.084 175.528 175.510 -0.111 0.000 1.264 178 N CA -0.199 52.871 53.050 0.033 0.000 0.942 178 N CB 0.244 38.730 38.487 -0.003 0.000 1.190 178 N HN -0.036 nan 8.380 nan 0.000 0.495 179 M N 1.130 120.547 119.600 -0.304 0.000 2.238 179 M HA 0.179 4.659 4.480 0.000 0.000 0.350 179 M C -1.353 174.437 176.300 -0.851 0.000 1.138 179 M CA -0.409 54.429 55.300 -0.770 0.000 1.040 179 M CB 0.579 32.508 32.600 -1.118 0.000 1.639 179 M HN 0.451 nan 8.290 nan 0.000 0.451 180 Y N 6.276 125.586 120.300 -1.650 0.000 2.960 180 Y HA 0.646 5.196 4.550 0.000 0.000 0.343 180 Y C -1.796 173.758 175.900 -0.577 0.000 1.106 180 Y CA -0.389 57.138 58.100 -0.955 0.000 1.221 180 Y CB 0.287 38.224 38.460 -0.871 0.000 1.232 180 Y HN 0.630 nan 8.280 nan 0.000 0.577 181 L N 3.451 124.343 121.223 -0.553 0.000 2.409 181 L HA 0.532 4.872 4.340 0.000 0.000 0.255 181 L C -0.736 176.021 176.870 -0.189 0.000 1.027 181 L CA -1.283 53.378 54.840 -0.299 0.000 0.834 181 L CB 2.613 44.542 42.059 -0.217 0.000 1.426 181 L HN 0.298 nan 8.230 nan 0.000 0.411 182 M N 0.999 120.545 119.600 -0.090 0.000 2.144 182 M HA 0.244 4.724 4.480 0.000 0.000 0.356 182 M C -0.463 175.935 176.300 0.163 0.000 1.217 182 M CA -0.520 54.754 55.300 -0.043 0.000 1.087 182 M CB 0.862 33.404 32.600 -0.097 0.000 1.609 182 M HN 0.421 nan 8.290 nan 0.000 0.467 183 H N 4.055 123.181 119.070 0.093 0.000 2.815 183 H HA -0.047 4.509 4.556 0.000 0.000 0.350 183 H C 0.609 176.096 175.328 0.266 0.000 1.080 183 H CA 0.386 56.542 56.048 0.179 0.000 1.433 183 H CB 0.652 30.412 29.762 -0.004 0.000 1.432 183 H HN 0.735 nan 8.280 nan 0.000 0.592 184 W N 5.402 126.399 121.300 -0.506 0.000 2.584 184 W HA 0.116 4.776 4.660 0.000 0.000 0.264 184 W C -1.190 175.282 176.519 -0.078 0.000 1.264 184 W CA -0.192 57.039 57.345 -0.190 0.000 1.306 184 W CB -0.101 29.291 29.460 -0.114 0.000 1.110 184 W HN 0.372 nan 8.180 nan 0.000 0.606 185 L N 1.774 122.376 121.223 -1.035 0.000 2.436 185 L HA 0.578 4.918 4.340 0.000 0.000 0.268 185 L C -0.909 175.859 176.870 -0.169 0.000 0.974 185 L CA -0.938 53.358 54.840 -0.906 0.000 0.826 185 L CB 2.124 43.158 42.059 -1.709 0.000 1.291 185 L HN 0.013 nan 8.230 nan 0.000 0.406 186 M N 3.613 123.157 119.600 -0.093 0.000 2.322 186 M HA 0.370 4.850 4.480 0.000 0.000 0.286 186 M C -1.794 174.519 176.300 0.022 0.000 1.111 186 M CA -0.568 54.728 55.300 -0.006 0.000 0.941 186 M CB 1.881 34.450 32.600 -0.052 0.000 1.671 186 M HN 0.633 nan 8.290 nan 0.000 0.470 187 D N 4.135 124.575 120.400 0.067 0.000 2.453 187 D HA 0.220 4.860 4.640 0.000 0.000 0.223 187 D C 0.857 177.217 176.300 0.099 0.000 1.183 187 D CA -0.085 54.008 54.000 0.157 0.000 0.933 187 D CB 0.900 41.842 40.800 0.236 0.000 1.038 187 D HN 0.472 nan 8.370 nan 0.000 0.513 188 V N 3.147 123.122 119.914 0.103 0.000 2.255 188 V HA -0.180 3.940 4.120 0.000 0.000 0.247 188 V C 1.249 177.357 176.094 0.024 0.000 1.051 188 V CA 1.561 63.873 62.300 0.020 0.000 1.018 188 V CB -0.153 31.712 31.823 0.070 0.000 0.641 188 V HN 0.522 nan 8.190 nan 0.000 0.445 189 D N -0.377 120.101 120.400 0.130 0.000 2.463 189 D HA 0.138 4.778 4.640 0.000 0.000 0.224 189 D C 0.460 176.825 176.300 0.108 0.000 1.174 189 D CA -0.057 54.011 54.000 0.112 0.000 0.829 189 D CB -0.336 40.563 40.800 0.165 0.000 0.993 189 D HN 0.434 nan 8.370 nan 0.000 0.497 190 N N 0.207 118.970 118.700 0.105 0.000 2.714 190 N HA -0.241 4.499 4.740 0.000 0.000 0.253 190 N C 0.447 175.972 175.510 0.025 0.000 1.024 190 N CA 0.161 53.255 53.050 0.073 0.000 0.726 190 N CB -1.341 37.169 38.487 0.039 0.000 0.908 190 N HN 0.414 nan 8.380 nan 0.000 0.542 191 W N 0.167 121.354 121.300 -0.189 0.000 2.388 191 W HA 0.006 4.666 4.660 0.000 0.000 0.294 191 W C 1.388 177.552 176.519 -0.591 0.000 1.212 191 W CA 1.375 58.450 57.345 -0.451 0.000 1.271 191 W CB -0.511 28.455 29.460 -0.824 0.000 1.126 191 W HN 0.461 nan 8.180 nan 0.000 0.535 192 Y N 0.140 120.193 120.300 -0.412 0.000 2.516 192 Y HA 0.136 4.686 4.550 0.000 0.000 0.291 192 Y C 2.379 177.733 175.900 -0.911 0.000 1.131 192 Y CA 1.572 59.214 58.100 -0.764 0.000 1.281 192 Y CB -0.488 37.575 38.460 -0.663 0.000 1.013 192 Y HN 0.123 nan 8.280 nan 0.000 0.554 193 G N -1.254 107.269 108.800 -0.461 0.000 2.179 193 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 193 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 193 G C 0.856 175.500 174.900 -0.427 0.000 0.977 193 G CA 0.410 45.257 45.100 -0.423 0.000 0.641 193 G HN 0.334 nan 8.290 nan 0.000 0.533 194 F N 1.360 121.179 119.950 -0.219 0.000 2.250 194 F HA 0.217 4.744 4.527 0.000 0.000 0.301 194 F C 2.249 178.096 175.800 0.079 0.000 1.077 194 F CA 1.156 59.058 58.000 -0.163 0.000 1.348 194 F CB -0.550 38.418 39.000 -0.053 0.000 1.040 194 F HN 0.418 nan 8.300 nan 0.000 0.509 195 G N -1.313 107.620 108.800 0.223 0.000 2.642 195 G HA2 0.383 4.343 3.960 0.000 0.000 0.291 195 G HA3 0.383 4.343 3.960 0.000 0.000 0.291 195 G C -0.718 174.281 174.900 0.165 0.000 1.345 195 G CA -0.477 44.747 45.100 0.206 0.000 1.043 195 G HN -0.093 nan 8.290 nan 0.000 0.528 196 T N 0.266 114.905 114.554 0.141 0.000 2.794 196 T HA 0.458 4.808 4.350 0.000 0.000 0.296 196 T C 1.340 176.089 174.700 0.081 0.000 0.949 196 T CA 1.163 63.330 62.100 0.113 0.000 1.101 196 T CB 0.551 69.481 68.868 0.103 0.000 0.905 196 T HN 1.508 nan 8.240 nan 0.000 0.516 197 G N 4.402 113.239 108.800 0.063 0.000 2.793 197 G HA2 -0.351 3.609 3.960 0.000 0.000 0.334 197 G HA3 -0.351 3.609 3.960 0.000 0.000 0.334 197 G C 0.971 175.890 174.900 0.032 0.000 1.186 197 G CA 1.044 46.168 45.100 0.041 0.000 0.960 197 G HN 0.688 nan 8.290 nan 0.000 0.562 198 T N 1.866 116.444 114.554 0.039 0.000 3.111 198 T HA 0.312 4.662 4.350 0.000 0.000 0.284 198 T C 0.935 175.655 174.700 0.032 0.000 0.983 198 T CA -0.071 62.049 62.100 0.033 0.000 0.900 198 T CB 0.117 69.003 68.868 0.029 0.000 1.132 198 T HN 0.473 nan 8.240 nan 0.000 0.531 199 R N 1.842 122.373 120.500 0.052 0.000 2.623 199 R HA 0.464 4.804 4.340 0.000 0.000 0.271 199 R C 0.449 176.775 176.300 0.043 0.000 1.043 199 R CA -0.168 55.972 56.100 0.066 0.000 1.083 199 R CB 0.413 30.780 30.300 0.112 0.000 0.974 199 R HN 0.273 nan 8.270 nan 0.000 0.436 200 A N 2.590 125.407 122.820 -0.005 0.000 2.511 200 A HA 0.138 4.458 4.320 0.000 0.000 0.242 200 A C -0.153 177.419 177.584 -0.020 0.000 1.069 200 A CA 0.450 52.454 52.037 -0.055 0.000 0.763 200 A CB 0.371 19.248 19.000 -0.204 0.000 1.001 200 A HN 0.626 nan 8.150 nan 0.000 0.498 201 T N 2.815 117.347 114.554 -0.037 0.000 2.879 201 T HA 0.438 4.788 4.350 0.000 0.000 0.290 201 T C -0.517 174.166 174.700 -0.028 0.000 0.993 201 T CA -0.143 61.959 62.100 0.004 0.000 0.975 201 T CB 0.391 69.336 68.868 0.127 0.000 0.981 201 T HN 0.371 nan 8.240 nan 0.000 0.439 202 F N 4.538 124.536 119.950 0.081 0.000 2.557 202 F HA 0.303 4.830 4.527 0.000 0.000 0.384 202 F C 0.992 176.766 175.800 -0.043 0.000 1.057 202 F CA -0.384 57.631 58.000 0.024 0.000 1.169 202 F CB 0.007 38.992 39.000 -0.026 0.000 1.070 202 F HN 0.445 nan 8.300 nan 0.000 0.554 203 I N 0.416 121.067 120.570 0.136 0.000 3.170 203 I HA 0.704 4.874 4.170 0.000 0.000 0.312 203 I C -0.936 175.145 176.117 -0.060 0.000 1.085 203 I CA -1.032 60.222 61.300 -0.077 0.000 0.999 203 I CB 2.350 40.284 38.000 -0.110 0.000 1.233 203 I HN 0.389 nan 8.210 nan 0.000 0.467 204 N N -0.356 118.124 118.700 -0.367 0.000 2.610 204 N HA 0.565 5.305 4.740 0.000 0.000 0.264 204 N C -0.463 174.697 175.510 -0.584 0.000 1.348 204 N CA 0.172 53.060 53.050 -0.270 0.000 0.819 204 N CB 2.466 40.887 38.487 -0.110 0.000 1.521 204 N HN 0.955 nan 8.380 nan 0.000 0.497 205 T N -2.243 112.203 114.554 -0.180 0.000 3.429 205 T HA 0.377 4.727 4.350 0.000 0.000 0.212 205 T C 0.402 174.997 174.700 -0.175 0.000 0.980 205 T CA -0.045 61.888 62.100 -0.279 0.000 1.201 205 T CB -0.668 67.963 68.868 -0.396 0.000 1.289 205 T HN 0.213 nan 8.240 nan 0.000 0.346 206 F N 3.267 123.266 119.950 0.082 0.000 2.593 206 F HA 0.321 4.848 4.527 0.000 0.000 0.393 206 F C 1.675 177.424 175.800 -0.085 0.000 1.037 206 F CA 0.168 58.180 58.000 0.020 0.000 1.195 206 F CB 0.273 39.322 39.000 0.081 0.000 1.034 206 F HN 0.295 nan 8.300 nan 0.000 0.552 207 Q N 2.106 121.880 119.800 -0.043 0.000 1.977 207 Q HA 0.128 4.469 4.340 0.000 0.000 0.214 207 Q C 0.360 176.184 176.000 -0.292 0.000 0.740 207 Q CA 0.083 55.726 55.803 -0.267 0.000 0.893 207 Q CB 0.751 28.934 28.738 -0.925 0.000 1.203 207 Q HN 0.671 nan 8.270 nan 0.000 0.436 208 R N 0.774 121.087 120.500 -0.312 0.000 2.903 208 R HA 0.460 4.800 4.340 0.000 0.000 0.363 208 R C 0.301 176.328 176.300 -0.455 0.000 1.161 208 R CA 0.352 55.921 56.100 -0.885 0.000 1.109 208 R CB 1.105 31.041 30.300 -0.606 0.000 1.399 208 R HN 0.230 nan 8.270 nan 0.000 0.587 209 G N 1.790 110.509 108.800 -0.136 0.000 2.741 209 G HA2 -0.360 3.600 3.960 0.000 0.000 0.222 209 G HA3 -0.360 3.600 3.960 0.000 0.000 0.222 209 G C 0.741 175.683 174.900 0.070 0.000 1.364 209 G CA 0.113 45.251 45.100 0.063 0.000 0.866 209 G HN 0.553 nan 8.290 nan 0.000 0.555 210 E N -0.808 119.391 120.200 -0.002 0.000 2.265 210 E HA -0.138 4.212 4.350 0.000 0.000 0.196 210 E C 1.625 178.276 176.600 0.087 0.000 0.996 210 E CA 1.560 57.942 56.400 -0.030 0.000 0.832 210 E CB -0.050 29.547 29.700 -0.172 0.000 0.756 210 E HN 0.462 nan 8.360 nan 0.000 0.491 211 Q N 0.660 120.519 119.800 0.099 0.000 2.280 211 Q HA 0.097 4.437 4.340 0.000 0.000 0.201 211 Q C -0.116 175.968 176.000 0.140 0.000 0.890 211 Q CA 0.128 55.997 55.803 0.109 0.000 0.947 211 Q CB 0.710 29.509 28.738 0.101 0.000 1.081 211 Q HN 0.403 nan 8.270 nan 0.000 0.502 212 E N 2.433 122.732 120.200 0.165 0.000 1.814 212 E HA 0.092 4.442 4.350 0.000 0.000 0.264 212 E C -0.160 176.574 176.600 0.223 0.000 1.179 212 E CA -0.224 56.288 56.400 0.185 0.000 0.972 212 E CB 0.366 30.171 29.700 0.175 0.000 1.077 212 E HN 0.135 nan 8.360 nan 0.000 0.417 213 S N 2.266 118.083 115.700 0.195 0.000 2.598 213 S HA -0.004 4.467 4.470 0.000 0.000 0.256 213 S C 1.273 176.004 174.600 0.218 0.000 1.350 213 S CA 0.015 58.337 58.200 0.203 0.000 0.984 213 S CB 1.135 64.496 63.200 0.268 0.000 0.930 213 S HN 0.428 nan 8.310 nan 0.000 0.577 214 T N 0.221 114.838 114.554 0.104 0.000 2.929 214 T HA -0.089 4.261 4.350 0.000 0.000 0.271 214 T C 1.011 175.593 174.700 -0.198 0.000 1.085 214 T CA 1.581 63.586 62.100 -0.158 0.000 1.125 214 T CB -0.501 68.162 68.868 -0.342 0.000 0.874 214 T HN 0.752 nan 8.240 nan 0.000 0.494 215 W N 1.651 122.977 121.300 0.043 0.000 2.584 215 W HA 0.149 4.809 4.660 0.000 0.000 0.264 215 W C 1.837 178.496 176.519 0.234 0.000 1.264 215 W CA -0.011 57.368 57.345 0.056 0.000 1.306 215 W CB 0.007 29.393 29.460 -0.123 0.000 1.110 215 W HN 0.280 nan 8.180 nan 0.000 0.606 216 E N -0.222 120.169 120.200 0.319 0.000 2.499 216 E HA 0.038 4.388 4.350 0.000 0.000 0.199 216 E C 0.675 177.369 176.600 0.157 0.000 1.016 216 E CA -0.003 56.544 56.400 0.244 0.000 0.933 216 E CB 0.194 30.026 29.700 0.219 0.000 1.050 216 E HN 0.007 nan 8.360 nan 0.000 0.462 217 T N -1.748 112.856 114.554 0.084 0.000 2.912 217 T HA 0.575 4.925 4.350 0.000 0.000 0.280 217 T C 0.174 174.907 174.700 0.055 0.000 0.989 217 T CA -0.723 61.376 62.100 -0.001 0.000 0.995 217 T CB 1.379 70.097 68.868 -0.252 0.000 1.077 217 T HN -0.045 nan 8.240 nan 0.000 0.531 218 I N 2.067 122.716 120.570 0.131 0.000 2.437 218 I HA 0.328 4.498 4.170 0.000 0.000 0.279 218 I C -2.543 173.673 176.117 0.165 0.000 1.028 218 I CA -2.659 58.739 61.300 0.163 0.000 1.142 218 I CB 1.738 39.873 38.000 0.224 0.000 1.266 218 I HN 0.404 nan 8.210 nan 0.000 0.461 219 P HA 0.020 nan 4.420 nan 0.000 0.265 219 P C -1.033 176.036 177.300 -0.385 0.000 1.187 219 P CA 0.586 63.457 63.100 -0.381 0.000 0.766 219 P CB 0.305 31.498 31.700 -0.844 0.000 0.820 220 H N 0.630 119.239 119.070 -0.767 0.000 3.094 220 H HA 0.350 4.906 4.556 0.000 0.000 0.346 220 H C -3.262 171.331 175.328 -1.224 0.000 1.238 220 H CA -2.641 52.510 56.048 -1.495 0.000 1.209 220 H CB 1.011 30.109 29.762 -1.107 0.000 1.911 220 H HN 0.124 nan 8.280 nan 0.000 0.540 221 P HA 0.059 nan 4.420 nan 0.000 0.271 221 P C 0.472 177.629 177.300 -0.237 0.000 1.216 221 P CA -0.104 62.617 63.100 -0.632 0.000 0.776 221 P CB 1.358 32.840 31.700 -0.364 0.000 0.881 222 S N 1.879 117.494 115.700 -0.142 0.000 2.371 222 S HA 0.001 4.471 4.470 0.000 0.000 0.224 222 S C 1.177 175.695 174.600 -0.137 0.000 1.029 222 S CA 0.731 58.835 58.200 -0.160 0.000 0.978 222 S CB -0.431 62.626 63.200 -0.239 0.000 0.833 222 S HN 0.462 nan 8.310 nan 0.000 0.466 223 I N 2.722 123.269 120.570 -0.038 0.000 2.278 223 I HA 0.149 4.320 4.170 0.000 0.000 0.296 223 I C -0.084 176.062 176.117 0.048 0.000 1.121 223 I CA -0.223 61.090 61.300 0.021 0.000 1.267 223 I CB 0.397 38.440 38.000 0.071 0.000 1.447 223 I HN 0.047 nan 8.210 nan 0.000 0.509 224 E N 6.466 126.693 120.200 0.044 0.000 1.996 224 E HA 0.117 4.467 4.350 0.000 0.000 0.280 224 E C -0.039 176.505 176.600 -0.093 0.000 1.092 224 E CA 0.133 56.574 56.400 0.067 0.000 0.862 224 E CB 0.431 30.216 29.700 0.142 0.000 1.066 224 E HN 0.481 nan 8.360 nan 0.000 0.396 225 E N 4.289 124.468 120.200 -0.035 0.000 2.651 225 E HA 0.095 4.445 4.350 0.000 0.000 0.208 225 E C -0.426 176.157 176.600 -0.029 0.000 0.997 225 E CA -0.271 56.042 56.400 -0.144 0.000 1.020 225 E CB 0.055 29.744 29.700 -0.018 0.000 1.052 225 E HN 0.569 nan 8.360 nan 0.000 0.465 226 F N -0.634 119.392 119.950 0.127 0.000 2.987 226 F HA -0.351 4.176 4.527 0.000 0.000 0.309 226 F C 1.992 177.796 175.800 0.007 0.000 0.724 226 F CA 1.190 59.236 58.000 0.078 0.000 1.079 226 F CB -2.288 36.740 39.000 0.048 0.000 1.432 226 F HN 0.253 nan 8.300 nan 0.000 0.351 227 K N -0.771 119.706 120.400 0.127 0.000 2.211 227 K HA 0.034 4.354 4.320 0.000 0.000 0.204 227 K C 0.614 176.943 176.600 -0.451 0.000 1.047 227 K CA 2.097 58.267 56.287 -0.195 0.000 0.935 227 K CB -0.503 31.818 32.500 -0.299 0.000 0.728 227 K HN 0.503 nan 8.250 nan 0.000 0.452 228 Y N -2.877 117.588 120.300 0.274 0.000 2.790 228 Y HA 0.490 5.041 4.550 0.000 0.000 0.323 228 Y C 1.539 177.490 175.900 0.085 0.000 1.230 228 Y CA -0.821 57.438 58.100 0.266 0.000 1.121 228 Y CB 1.406 40.171 38.460 0.508 0.000 1.328 228 Y HN 0.408 nan 8.280 nan 0.000 0.514 229 G N 0.067 108.897 108.800 0.048 0.000 2.509 229 G HA2 -0.005 3.955 3.960 0.000 0.000 0.259 229 G HA3 -0.005 3.955 3.960 0.000 0.000 0.259 229 G C 0.338 175.025 174.900 -0.354 0.000 1.169 229 G CA -0.248 44.456 45.100 -0.660 0.000 0.953 229 G HN 1.266 nan 8.290 nan 0.000 0.563 230 G N -0.376 108.172 108.800 -0.421 0.000 2.509 230 G HA2 0.598 4.558 3.960 0.000 0.000 0.269 230 G HA3 0.598 4.558 3.960 0.000 0.000 0.269 230 G C -0.848 173.791 174.900 -0.435 0.000 1.416 230 G CA 0.512 45.219 45.100 -0.654 0.000 1.052 230 G HN 0.612 nan 8.290 nan 0.000 0.542 231 P HA -0.016 nan 4.420 nan 0.000 0.219 231 P C 0.811 177.766 177.300 -0.575 0.000 1.150 231 P CA 0.800 63.659 63.100 -0.402 0.000 0.814 231 P CB 0.232 31.719 31.700 -0.355 0.000 0.787 232 N N -0.381 117.943 118.700 -0.626 0.000 2.451 232 N HA 0.146 4.886 4.740 0.000 0.000 0.264 232 N C 1.206 176.409 175.510 -0.510 0.000 1.167 232 N CA 0.698 53.168 53.050 -0.967 0.000 0.898 232 N CB 0.223 38.252 38.487 -0.764 0.000 1.176 232 N HN 0.075 nan 8.380 nan 0.000 0.507 233 G N 1.757 110.433 108.800 -0.205 0.000 2.629 233 G HA2 -0.371 3.589 3.960 0.000 0.000 0.313 233 G HA3 -0.371 3.589 3.960 0.000 0.000 0.313 233 G C 0.356 175.254 174.900 -0.002 0.000 1.217 233 G CA 0.534 45.746 45.100 0.186 0.000 0.994 233 G HN 0.355 nan 8.290 nan 0.000 0.549 234 F N 1.076 121.147 119.950 0.202 0.000 2.706 234 F HA 0.424 4.951 4.527 0.000 0.000 0.308 234 F C 2.473 178.169 175.800 -0.174 0.000 1.095 234 F CA 0.305 58.321 58.000 0.027 0.000 1.244 234 F CB 0.073 39.089 39.000 0.027 0.000 1.063 234 F HN 0.216 nan 8.300 nan 0.000 0.582 235 L N 0.494 121.802 121.223 0.141 0.000 2.013 235 L HA -0.249 4.091 4.340 0.000 0.000 0.212 235 L C 1.825 178.636 176.870 -0.097 0.000 1.073 235 L CA 1.788 56.696 54.840 0.112 0.000 0.753 235 L CB -0.803 41.386 42.059 0.217 0.000 0.890 235 L HN 0.173 nan 8.230 nan 0.000 0.432 236 D N -0.239 119.992 120.400 -0.282 0.000 2.371 236 D HA -0.092 4.548 4.640 0.000 0.000 0.234 236 D C 1.883 178.014 176.300 -0.282 0.000 1.049 236 D CA 0.539 54.397 54.000 -0.236 0.000 0.907 236 D CB -0.370 40.251 40.800 -0.299 0.000 0.891 236 D HN 0.337 nan 8.370 nan 0.000 0.531 237 L N -1.297 119.529 121.223 -0.662 0.000 2.270 237 L HA 0.041 4.381 4.340 0.000 0.000 0.210 237 L C 1.297 177.834 176.870 -0.556 0.000 1.104 237 L CA 0.716 54.975 54.840 -0.967 0.000 0.804 237 L CB -0.140 40.935 42.059 -1.641 0.000 0.937 237 L HN -0.010 nan 8.230 nan 0.000 0.450 238 F N -1.571 118.391 119.950 0.020 0.000 2.537 238 F HA 0.147 4.674 4.527 0.000 0.000 0.277 238 F C 0.973 176.906 175.800 0.222 0.000 1.013 238 F CA -0.309 57.772 58.000 0.135 0.000 1.332 238 F CB -0.397 38.623 39.000 0.032 0.000 1.108 238 F HN -0.184 nan 8.300 nan 0.000 0.679 239 T N -0.953 113.798 114.554 0.329 0.000 2.879 239 T HA 0.681 5.031 4.350 0.000 0.000 0.290 239 T C -0.535 174.337 174.700 0.287 0.000 0.993 239 T CA -0.837 61.419 62.100 0.259 0.000 0.975 239 T CB 1.526 70.510 68.868 0.194 0.000 0.981 239 T HN 0.190 nan 8.240 nan 0.000 0.439 240 K N 1.902 122.437 120.400 0.226 0.000 2.267 240 K HA 0.558 4.878 4.320 0.000 0.000 0.282 240 K C -0.714 175.972 176.600 0.144 0.000 1.078 240 K CA -0.725 55.712 56.287 0.250 0.000 0.903 240 K CB 0.394 32.996 32.500 0.171 0.000 1.111 240 K HN 0.820 nan 8.250 nan 0.000 0.475 241 D N 1.256 121.676 120.400 0.033 0.000 2.342 241 D HA 0.561 5.201 4.640 0.000 0.000 0.243 241 D C 1.634 177.738 176.300 -0.327 0.000 1.019 241 D CA 0.082 53.995 54.000 -0.144 0.000 0.864 241 D CB 1.863 42.518 40.800 -0.242 0.000 1.315 241 D HN 0.389 nan 8.370 nan 0.000 0.468 242 R N 1.880 122.286 120.500 -0.158 0.000 2.103 242 R HA 0.067 4.408 4.340 0.000 0.000 0.242 242 R C 1.270 177.392 176.300 -0.297 0.000 1.142 242 R CA 2.285 58.267 56.100 -0.196 0.000 0.960 242 R CB -1.638 28.539 30.300 -0.206 0.000 0.858 242 R HN 0.685 nan 8.270 nan 0.000 0.439 243 S N -2.091 113.377 115.700 -0.387 0.000 2.599 243 S HA 0.764 5.235 4.470 0.000 0.000 0.287 243 S C -0.901 173.410 174.600 -0.482 0.000 1.105 243 S CA -0.784 57.208 58.200 -0.347 0.000 0.899 243 S CB 1.154 64.252 63.200 -0.170 0.000 1.100 243 S HN 0.390 nan 8.310 nan 0.000 0.482 244 Y N 0.823 121.183 120.300 0.099 0.000 2.328 244 Y HA 0.637 5.187 4.550 0.000 0.000 0.336 244 Y C 0.369 176.492 175.900 0.370 0.000 0.960 244 Y CA -0.688 57.541 58.100 0.216 0.000 1.134 244 Y CB 1.854 40.414 38.460 0.167 0.000 1.166 244 Y HN 0.862 nan 8.280 nan 0.000 0.464 245 A N 3.320 126.463 122.820 0.538 0.000 2.356 245 A HA 0.627 4.947 4.320 0.000 0.000 0.323 245 A C -0.814 176.956 177.584 0.310 0.000 1.119 245 A CA -1.243 51.065 52.037 0.452 0.000 0.790 245 A CB 0.914 20.151 19.000 0.395 0.000 1.273 245 A HN 0.776 nan 8.150 nan 0.000 0.452 246 K N 1.374 121.731 120.400 -0.072 0.000 2.484 246 K HA 0.216 4.536 4.320 0.000 0.000 0.280 246 K C 0.233 176.817 176.600 -0.027 0.000 1.013 246 K CA 0.593 56.660 56.287 -0.366 0.000 1.029 246 K CB 0.185 32.469 32.500 -0.361 0.000 0.902 246 K HN 0.819 nan 8.250 nan 0.000 0.481 247 Q N 3.178 122.959 119.800 -0.032 0.000 2.648 247 Q HA 0.480 4.820 4.340 0.000 0.000 0.300 247 Q C -1.485 174.498 176.000 -0.028 0.000 0.954 247 Q CA -1.171 54.601 55.803 -0.051 0.000 0.757 247 Q CB 1.505 30.284 28.738 0.068 0.000 1.482 247 Q HN 0.714 nan 8.270 nan 0.000 0.437 248 W N 0.221 121.386 121.300 -0.224 0.000 2.936 248 W HA 0.823 5.483 4.660 0.000 0.000 0.338 248 W C -1.425 174.787 176.519 -0.513 0.000 1.121 248 W CA -0.887 56.211 57.345 -0.411 0.000 1.209 248 W CB 1.843 30.996 29.460 -0.512 0.000 1.420 248 W HN 0.903 nan 8.180 nan 0.000 0.516 249 R N 2.413 122.603 120.500 -0.517 0.000 2.548 249 R HA 0.455 4.795 4.340 0.000 0.000 0.280 249 R C -2.249 173.551 176.300 -0.832 0.000 1.061 249 R CA -0.433 55.349 56.100 -0.530 0.000 0.915 249 R CB 1.941 32.221 30.300 -0.034 0.000 1.210 249 R HN 0.546 nan 8.270 nan 0.000 0.442 250 Y N 0.704 120.640 120.300 -0.607 0.000 2.499 250 Y HA 0.503 5.054 4.550 0.000 0.000 0.347 250 Y C -0.198 175.575 175.900 -0.213 0.000 0.987 250 Y CA -0.718 56.995 58.100 -0.646 0.000 1.044 250 Y CB 2.919 40.537 38.460 -1.404 0.000 1.245 250 Y HN 0.419 nan 8.280 nan 0.000 0.461 251 T N 3.264 118.157 114.554 0.566 0.000 2.881 251 T HA 0.285 4.635 4.350 0.000 0.000 0.290 251 T C -0.741 174.224 174.700 0.441 0.000 1.000 251 T CA -1.080 61.282 62.100 0.435 0.000 0.978 251 T CB 0.884 69.927 68.868 0.292 0.000 0.997 251 T HN 0.676 nan 8.240 nan 0.000 0.443 252 N N 1.328 120.310 118.700 0.469 0.000 2.482 252 N HA 0.642 5.382 4.740 0.000 0.000 0.279 252 N C -1.167 174.468 175.510 0.208 0.000 1.182 252 N CA -0.929 52.325 53.050 0.339 0.000 0.969 252 N CB 1.486 40.162 38.487 0.314 0.000 1.201 252 N HN 0.644 nan 8.380 nan 0.000 0.523 253 A N 1.279 124.169 122.820 0.118 0.000 2.483 253 A HA 0.447 4.767 4.320 0.000 0.000 0.308 253 A C -1.863 175.649 177.584 -0.121 0.000 1.291 253 A CA -1.337 50.670 52.037 -0.050 0.000 0.774 253 A CB 1.238 20.176 19.000 -0.103 0.000 1.134 253 A HN 0.682 nan 8.150 nan 0.000 0.471 254 P HA -0.156 nan 4.420 nan 0.000 0.225 254 P C 0.646 177.852 177.300 -0.157 0.000 1.148 254 P CA 1.310 64.384 63.100 -0.043 0.000 0.779 254 P CB 0.153 31.887 31.700 0.057 0.000 0.780 255 D N 0.531 120.676 120.400 -0.425 0.000 2.219 255 D HA -0.125 4.515 4.640 0.000 0.000 0.205 255 D C 1.779 177.901 176.300 -0.297 0.000 0.970 255 D CA 1.228 54.972 54.000 -0.426 0.000 0.851 255 D CB -0.829 39.522 40.800 -0.750 0.000 0.943 255 D HN 0.127 nan 8.370 nan 0.000 0.488 256 A N 1.110 123.790 122.820 -0.234 0.000 1.855 256 A HA -0.185 4.135 4.320 0.000 0.000 0.215 256 A C 2.196 179.730 177.584 -0.084 0.000 1.191 256 A CA 1.703 53.666 52.037 -0.123 0.000 0.613 256 A CB -0.723 18.267 19.000 -0.017 0.000 0.829 256 A HN 0.160 nan 8.150 nan 0.000 0.442 257 E N -0.230 119.941 120.200 -0.049 0.000 2.097 257 E HA -0.105 4.245 4.350 0.000 0.000 0.196 257 E C 2.066 178.663 176.600 -0.005 0.000 1.000 257 E CA 1.362 57.761 56.400 -0.001 0.000 0.804 257 E CB -0.579 29.148 29.700 0.044 0.000 0.740 257 E HN 0.580 nan 8.360 nan 0.000 0.454 258 G N 0.455 109.225 108.800 -0.049 0.000 2.421 258 G HA2 -0.341 3.619 3.960 0.000 0.000 0.216 258 G HA3 -0.341 3.619 3.960 0.000 0.000 0.216 258 G C 1.560 176.379 174.900 -0.135 0.000 1.171 258 G CA 0.869 45.924 45.100 -0.075 0.000 0.775 258 G HN 0.151 nan 8.290 nan 0.000 0.543 259 R N 0.506 120.875 120.500 -0.218 0.000 2.073 259 R HA 0.008 4.348 4.340 0.000 0.000 0.234 259 R C 2.890 179.023 176.300 -0.278 0.000 1.134 259 R CA 1.513 57.384 56.100 -0.382 0.000 0.952 259 R CB -0.418 29.577 30.300 -0.508 0.000 0.850 259 R HN 0.281 nan 8.270 nan 0.000 0.433 260 A N 0.923 123.692 122.820 -0.085 0.000 1.908 260 A HA -0.160 4.160 4.320 0.000 0.000 0.218 260 A C 2.140 179.856 177.584 0.219 0.000 1.181 260 A CA 1.561 53.668 52.037 0.116 0.000 0.627 260 A CB -0.487 18.600 19.000 0.144 0.000 0.818 260 A HN 0.380 nan 8.150 nan 0.000 0.445 261 I N -0.663 119.987 120.570 0.134 0.000 2.286 261 I HA -0.272 3.899 4.170 0.000 0.000 0.245 261 I C 2.773 178.871 176.117 -0.031 0.000 1.104 261 I CA 1.574 62.927 61.300 0.089 0.000 1.397 261 I CB -0.412 37.583 38.000 -0.009 0.000 1.072 261 I HN 0.568 nan 8.210 nan 0.000 0.417 262 Q N 1.716 121.481 119.800 -0.059 0.000 2.077 262 Q HA -0.294 4.046 4.340 0.000 0.000 0.206 262 Q C 2.307 178.380 176.000 0.123 0.000 0.989 262 Q CA 2.454 58.287 55.803 0.050 0.000 0.853 262 Q CB -0.224 28.510 28.738 -0.006 0.000 0.907 262 Q HN 0.519 nan 8.270 nan 0.000 0.418 263 A N 0.178 122.978 122.820 -0.034 0.000 1.908 263 A HA -0.141 4.179 4.320 0.000 0.000 0.218 263 A C 2.212 179.984 177.584 0.314 0.000 1.181 263 A CA 1.704 53.823 52.037 0.137 0.000 0.627 263 A CB -0.687 18.375 19.000 0.104 0.000 0.818 263 A HN 0.338 nan 8.150 nan 0.000 0.445 264 V N -1.465 118.591 119.914 0.236 0.000 2.667 264 V HA -0.221 3.899 4.120 0.000 0.000 0.252 264 V C 2.239 178.452 176.094 0.199 0.000 1.065 264 V CA 1.662 64.099 62.300 0.228 0.000 1.083 264 V CB -1.057 30.874 31.823 0.181 0.000 0.692 264 V HN 0.735 nan 8.190 nan 0.000 0.468 265 Y N 0.016 120.235 120.300 -0.135 0.000 2.128 265 Y HA -0.295 4.255 4.550 0.000 0.000 0.284 265 Y C 2.119 177.769 175.900 -0.415 0.000 1.154 265 Y CA 1.990 59.839 58.100 -0.419 0.000 1.149 265 Y CB -0.301 37.703 38.460 -0.761 0.000 0.976 265 Y HN 0.299 nan 8.280 nan 0.000 0.505 266 W N -0.062 121.187 121.300 -0.086 0.000 2.409 266 W HA -0.058 4.602 4.660 0.000 0.000 0.299 266 W C 2.744 178.899 176.519 -0.606 0.000 1.203 266 W CA 1.332 58.253 57.345 -0.707 0.000 1.298 266 W CB -0.853 28.014 29.460 -0.987 0.000 1.127 266 W HN 0.127 nan 8.180 nan 0.000 0.528 267 A N 0.694 123.598 122.820 0.140 0.000 1.903 267 A HA -0.335 3.985 4.320 0.000 0.000 0.219 267 A C 1.963 179.408 177.584 -0.231 0.000 1.191 267 A CA 2.223 54.392 52.037 0.219 0.000 0.638 267 A CB -1.283 17.891 19.000 0.291 0.000 0.823 267 A HN 0.500 nan 8.150 nan 0.000 0.451 268 N N -0.421 118.140 118.700 -0.231 0.000 2.106 268 N HA -0.207 4.533 4.740 0.000 0.000 0.188 268 N C 1.938 177.247 175.510 -0.336 0.000 1.029 268 N CA 1.780 54.644 53.050 -0.311 0.000 0.848 268 N CB -0.215 38.142 38.487 -0.217 0.000 1.007 268 N HN 0.624 nan 8.380 nan 0.000 0.423 269 K N 0.011 120.147 120.400 -0.441 0.000 2.009 269 K HA -0.154 4.166 4.320 0.000 0.000 0.210 269 K C 2.034 178.606 176.600 -0.047 0.000 1.049 269 K CA 1.571 57.646 56.287 -0.354 0.000 0.929 269 K CB -0.229 31.952 32.500 -0.533 0.000 0.714 269 K HN 0.244 nan 8.250 nan 0.000 0.440 270 W N 0.353 121.702 121.300 0.082 0.000 2.381 270 W HA 0.024 4.684 4.660 0.000 0.000 0.301 270 W C 2.427 179.002 176.519 0.092 0.000 1.205 270 W CA 0.816 58.273 57.345 0.186 0.000 1.285 270 W CB -1.147 28.573 29.460 0.434 0.000 1.133 270 W HN 0.294 nan 8.180 nan 0.000 0.521 271 A N 0.660 123.404 122.820 -0.126 0.000 1.902 271 A HA -0.208 4.112 4.320 0.000 0.000 0.217 271 A C 2.086 179.549 177.584 -0.202 0.000 1.181 271 A CA 1.877 53.593 52.037 -0.534 0.000 0.623 271 A CB -0.675 17.551 19.000 -1.291 0.000 0.818 271 A HN 0.240 nan 8.150 nan 0.000 0.443 272 K N -0.550 119.751 120.400 -0.166 0.000 2.103 272 K HA -0.109 4.211 4.320 0.000 0.000 0.204 272 K C 1.883 178.468 176.600 -0.025 0.000 1.052 272 K CA 1.298 57.521 56.287 -0.108 0.000 0.945 272 K CB -0.153 32.267 32.500 -0.134 0.000 0.722 272 K HN 0.609 nan 8.250 nan 0.000 0.443 273 E N 1.054 121.277 120.200 0.038 0.000 2.118 273 E HA -0.210 4.140 4.350 0.000 0.000 0.195 273 E C 1.660 178.301 176.600 0.069 0.000 0.992 273 E CA 1.184 57.628 56.400 0.073 0.000 0.804 273 E CB 0.084 29.870 29.700 0.144 0.000 0.741 273 E HN 0.332 nan 8.360 nan 0.000 0.458 274 Q N -0.950 118.907 119.800 0.095 0.000 2.444 274 Q HA 0.084 4.424 4.340 0.000 0.000 0.206 274 Q C 0.914 176.949 176.000 0.057 0.000 0.948 274 Q CA 0.398 56.261 55.803 0.100 0.000 0.946 274 Q CB 0.819 29.678 28.738 0.202 0.000 1.027 274 Q HN 0.365 nan 8.270 nan 0.000 0.513 275 G N 1.858 110.669 108.800 0.018 0.000 2.160 275 G HA2 -0.308 3.652 3.960 0.000 0.000 0.251 275 G HA3 -0.308 3.652 3.960 0.000 0.000 0.251 275 G C 0.356 175.247 174.900 -0.015 0.000 1.008 275 G CA 0.504 45.601 45.100 -0.005 0.000 0.724 275 G HN 0.337 nan 8.290 nan 0.000 0.514 276 K N -0.278 120.100 120.400 -0.037 0.000 2.564 276 K HA 0.346 4.667 4.320 0.000 0.000 0.205 276 K C 2.169 178.643 176.600 -0.211 0.000 1.053 276 K CA 0.138 56.386 56.287 -0.065 0.000 1.072 276 K CB 0.597 33.129 32.500 0.053 0.000 0.822 276 K HN 0.251 nan 8.250 nan 0.000 0.497 277 G N 1.756 110.429 108.800 -0.211 0.000 2.475 277 G HA2 -0.343 3.617 3.960 0.000 0.000 0.220 277 G HA3 -0.343 3.617 3.960 0.000 0.000 0.220 277 G C 1.548 176.314 174.900 -0.223 0.000 1.125 277 G CA 1.592 46.535 45.100 -0.261 0.000 0.755 277 G HN 0.427 nan 8.290 nan 0.000 0.565 278 S N 0.908 116.517 115.700 -0.150 0.000 2.419 278 S HA 0.090 4.560 4.470 0.000 0.000 0.235 278 S C 2.420 176.960 174.600 -0.100 0.000 1.019 278 S CA 1.476 59.608 58.200 -0.114 0.000 0.982 278 S CB -0.352 62.806 63.200 -0.071 0.000 0.789 278 S HN 0.664 nan 8.310 nan 0.000 0.490 279 A N 0.922 123.682 122.820 -0.101 0.000 2.167 279 A HA 0.335 4.655 4.320 0.000 0.000 0.214 279 A C 2.068 179.620 177.584 -0.053 0.000 1.151 279 A CA 0.922 52.940 52.037 -0.032 0.000 0.735 279 A CB -0.444 18.598 19.000 0.070 0.000 0.802 279 A HN 1.238 nan 8.150 nan 0.000 0.467 280 V N -5.100 114.712 119.914 -0.170 0.000 3.432 280 V HA 0.549 4.669 4.120 0.000 0.000 0.298 280 V C 1.779 177.740 176.094 -0.221 0.000 1.464 280 V CA 0.633 62.829 62.300 -0.173 0.000 1.046 280 V CB -0.515 31.166 31.823 -0.237 0.000 0.887 280 V HN 0.336 nan 8.190 nan 0.000 0.441 281 A N 2.463 125.155 122.820 -0.213 0.000 1.892 281 A HA -0.209 4.111 4.320 0.000 0.000 0.218 281 A C 2.559 179.994 177.584 -0.247 0.000 1.188 281 A CA 3.010 54.905 52.037 -0.237 0.000 0.631 281 A CB -1.061 17.826 19.000 -0.188 0.000 0.822 281 A HN 1.124 nan 8.150 nan 0.000 0.447 282 S N -0.509 115.075 115.700 -0.195 0.000 2.383 282 S HA -0.108 4.362 4.470 0.000 0.000 0.227 282 S C 1.751 176.177 174.600 -0.290 0.000 1.026 282 S CA 1.351 59.434 58.200 -0.195 0.000 0.981 282 S CB -0.994 62.135 63.200 -0.119 0.000 0.818 282 S HN 0.288 nan 8.310 nan 0.000 0.472 283 V N 1.949 121.662 119.914 -0.335 0.000 2.287 283 V HA -0.163 3.957 4.120 0.000 0.000 0.248 283 V C 2.694 178.410 176.094 -0.631 0.000 1.053 283 V CA 1.768 63.715 62.300 -0.588 0.000 1.027 283 V CB -0.994 30.585 31.823 -0.407 0.000 0.646 283 V HN 0.462 nan 8.190 nan 0.000 0.447 284 V N 0.197 119.825 119.914 -0.478 0.000 2.255 284 V HA -0.283 3.837 4.120 0.000 0.000 0.247 284 V C 2.751 178.503 176.094 -0.571 0.000 1.051 284 V CA 2.512 64.458 62.300 -0.590 0.000 1.018 284 V CB -0.843 30.568 31.823 -0.687 0.000 0.641 284 V HN 0.691 nan 8.190 nan 0.000 0.445 285 S N -0.481 114.953 115.700 -0.444 0.000 2.382 285 S HA -0.258 4.212 4.470 0.000 0.000 0.228 285 S C 2.013 176.453 174.600 -0.266 0.000 1.027 285 S CA 1.890 59.896 58.200 -0.323 0.000 0.991 285 S CB -0.268 62.782 63.200 -0.250 0.000 0.823 285 S HN 0.649 nan 8.310 nan 0.000 0.469 286 K N 0.686 120.888 120.400 -0.331 0.000 2.155 286 K HA 0.197 4.517 4.320 0.000 0.000 0.203 286 K C 2.464 179.009 176.600 -0.092 0.000 1.052 286 K CA 0.939 57.072 56.287 -0.256 0.000 0.948 286 K CB -0.357 32.001 32.500 -0.237 0.000 0.728 286 K HN 0.455 nan 8.250 nan 0.000 0.448 287 A N 1.534 124.173 122.820 -0.303 0.000 1.898 287 A HA -0.091 4.229 4.320 0.000 0.000 0.216 287 A C 2.370 180.028 177.584 0.123 0.000 1.181 287 A CA 1.721 53.747 52.037 -0.018 0.000 0.620 287 A CB -0.686 18.287 19.000 -0.045 0.000 0.819 287 A HN 0.303 nan 8.150 nan 0.000 0.442 288 A N 0.145 122.976 122.820 0.018 0.000 1.908 288 A HA -0.219 4.101 4.320 0.000 0.000 0.218 288 A C 2.138 179.762 177.584 0.067 0.000 1.181 288 A CA 2.208 54.273 52.037 0.046 0.000 0.627 288 A CB -0.476 18.473 19.000 -0.085 0.000 0.818 288 A HN 0.611 nan 8.150 nan 0.000 0.445 289 K N -0.862 119.549 120.400 0.018 0.000 2.025 289 K HA -0.107 4.213 4.320 0.000 0.000 0.207 289 K C 2.171 178.862 176.600 0.151 0.000 1.049 289 K CA 1.583 57.823 56.287 -0.079 0.000 0.933 289 K CB -0.308 31.989 32.500 -0.339 0.000 0.714 289 K HN 0.450 nan 8.250 nan 0.000 0.438 290 M N 0.529 120.338 119.600 0.348 0.000 2.108 290 M HA -0.161 4.319 4.480 0.000 0.000 0.257 290 M C 1.936 178.438 176.300 0.337 0.000 1.071 290 M CA 2.335 57.923 55.300 0.481 0.000 1.093 290 M CB -0.542 32.380 32.600 0.536 0.000 1.345 290 M HN 0.373 nan 8.290 nan 0.000 0.403 291 G N -0.312 108.625 108.800 0.228 0.000 2.418 291 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 291 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 291 G C 1.157 176.293 174.900 0.394 0.000 1.158 291 G CA 1.206 46.399 45.100 0.155 0.000 0.771 291 G HN 0.482 nan 8.290 nan 0.000 0.545 292 D N 0.354 120.932 120.400 0.296 0.000 2.104 292 D HA -0.104 4.537 4.640 0.000 0.000 0.194 292 D C 2.190 178.589 176.300 0.165 0.000 0.994 292 D CA 0.652 54.815 54.000 0.272 0.000 0.830 292 D CB -0.335 40.531 40.800 0.111 0.000 0.959 292 D HN 0.319 nan 8.370 nan 0.000 0.452 293 F N -0.074 119.954 119.950 0.130 0.000 2.333 293 F HA -0.110 4.417 4.527 0.000 0.000 0.300 293 F C 2.107 177.981 175.800 0.122 0.000 1.083 293 F CA 0.035 58.075 58.000 0.066 0.000 1.395 293 F CB -0.047 38.931 39.000 -0.035 0.000 1.056 293 F HN 0.023 nan 8.300 nan 0.000 0.529 294 L N 0.239 121.697 121.223 0.393 0.000 2.549 294 L HA -0.119 4.221 4.340 0.000 0.000 0.230 294 L C 2.050 179.072 176.870 0.253 0.000 1.162 294 L CA 1.244 56.304 54.840 0.366 0.000 0.834 294 L CB -1.016 41.357 42.059 0.524 0.000 0.947 294 L HN 0.049 nan 8.230 nan 0.000 0.452 295 R N -0.887 119.718 120.500 0.174 0.000 2.152 295 R HA -0.120 4.220 4.340 0.000 0.000 0.232 295 R C 1.867 178.284 176.300 0.195 0.000 1.117 295 R CA 0.948 57.056 56.100 0.015 0.000 0.981 295 R CB -0.287 30.031 30.300 0.030 0.000 0.870 295 R HN 0.440 nan 8.270 nan 0.000 0.451 296 N N 1.133 119.964 118.700 0.218 0.000 2.192 296 N HA -0.174 4.566 4.740 0.000 0.000 0.188 296 N C 0.541 176.182 175.510 0.218 0.000 1.013 296 N CA 1.540 54.736 53.050 0.243 0.000 0.863 296 N CB -0.186 38.396 38.487 0.158 0.000 0.990 296 N HN 0.328 nan 8.380 nan 0.000 0.430 297 D N -0.124 120.361 120.400 0.142 0.000 2.363 297 D HA 0.075 4.715 4.640 0.000 0.000 0.226 297 D C 1.279 177.590 176.300 0.019 0.000 1.020 297 D CA 0.273 54.329 54.000 0.094 0.000 0.892 297 D CB 0.030 40.900 40.800 0.117 0.000 0.900 297 D HN 0.264 nan 8.370 nan 0.000 0.531 298 M N -0.320 119.190 119.600 -0.149 0.000 2.495 298 M HA 0.157 4.637 4.480 0.000 0.000 0.237 298 M C -0.438 175.082 176.300 -1.300 0.000 1.131 298 M CA 0.292 55.254 55.300 -0.564 0.000 1.032 298 M CB 0.358 32.517 32.600 -0.734 0.000 1.513 298 M HN -0.106 nan 8.290 nan 0.000 0.488 299 F N -0.117 119.439 119.950 -0.656 0.000 2.508 299 F HA 0.279 4.806 4.527 0.000 0.000 0.325 299 F C 0.440 175.888 175.800 -0.587 0.000 1.090 299 F CA -1.665 55.887 58.000 -0.746 0.000 0.945 299 F CB 0.819 39.443 39.000 -0.627 0.000 1.156 299 F HN -0.094 nan 8.300 nan 0.000 0.463 300 D N 2.116 122.341 120.400 -0.293 0.000 2.548 300 D HA -0.066 4.574 4.640 0.000 0.000 0.231 300 D C 1.334 177.476 176.300 -0.264 0.000 1.142 300 D CA 0.465 54.403 54.000 -0.104 0.000 0.866 300 D CB 0.869 41.698 40.800 0.047 0.000 1.190 300 D HN 0.620 nan 8.370 nan 0.000 0.469 301 K N 1.926 122.211 120.400 -0.190 0.000 2.034 301 K HA -0.252 4.068 4.320 0.000 0.000 0.214 301 K C 0.484 176.795 176.600 -0.482 0.000 1.051 301 K CA 1.514 57.584 56.287 -0.362 0.000 0.931 301 K CB -0.126 32.146 32.500 -0.380 0.000 0.715 301 K HN 0.612 nan 8.250 nan 0.000 0.446 302 Y N -0.947 119.442 120.300 0.148 0.000 2.681 302 Y HA 0.233 4.783 4.550 0.000 0.000 0.267 302 Y C -0.716 175.357 175.900 0.288 0.000 1.166 302 Y CA -0.664 57.582 58.100 0.244 0.000 1.209 302 Y CB 0.042 38.681 38.460 0.298 0.000 1.161 302 Y HN 0.029 nan 8.280 nan 0.000 0.534 303 F N -1.763 118.285 119.950 0.163 0.000 3.091 303 F HA -0.306 4.221 4.527 0.000 0.000 0.288 303 F C 0.260 176.091 175.800 0.052 0.000 0.907 303 F CA 0.043 58.094 58.000 0.085 0.000 1.028 303 F CB -1.657 37.352 39.000 0.015 0.000 1.022 303 F HN -0.022 nan 8.300 nan 0.000 0.665 304 M N 0.245 119.926 119.600 0.135 0.000 2.241 304 M HA 0.194 4.674 4.480 0.000 0.000 0.335 304 M C 0.909 177.250 176.300 0.068 0.000 1.122 304 M CA -0.214 55.090 55.300 0.006 0.000 1.164 304 M CB 0.643 33.085 32.600 -0.263 0.000 1.459 304 M HN 0.057 nan 8.290 nan 0.000 0.461 305 K N 1.472 121.895 120.400 0.039 0.000 2.485 305 K HA 0.128 4.449 4.320 0.000 0.000 0.277 305 K C -0.297 176.358 176.600 0.092 0.000 0.990 305 K CA -0.189 56.133 56.287 0.059 0.000 0.994 305 K CB 0.372 32.893 32.500 0.034 0.000 0.906 305 K HN 0.400 nan 8.250 nan 0.000 0.488 306 I N 2.162 122.786 120.570 0.090 0.000 2.533 306 I HA -0.010 4.160 4.170 0.000 0.000 0.284 306 I C 1.511 177.700 176.117 0.120 0.000 1.109 306 I CA 0.831 62.204 61.300 0.121 0.000 1.412 306 I CB -0.199 37.859 38.000 0.096 0.000 1.396 306 I HN 1.018 nan 8.210 nan 0.000 0.543 307 G N 4.855 113.750 108.800 0.158 0.000 2.157 307 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 307 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 307 G C 1.093 176.002 174.900 0.015 0.000 0.979 307 G CA 0.623 45.791 45.100 0.113 0.000 0.650 307 G HN 0.826 nan 8.290 nan 0.000 0.529 308 A N 0.014 122.859 122.820 0.040 0.000 1.902 308 A HA 0.198 4.518 4.320 0.000 0.000 0.217 308 A C 1.685 179.230 177.584 -0.065 0.000 1.181 308 A CA 2.231 54.266 52.037 -0.003 0.000 0.623 308 A CB -0.460 18.552 19.000 0.019 0.000 0.818 308 A HN 1.490 nan 8.150 nan 0.000 0.443 309 Q N -0.611 119.142 119.800 -0.080 0.000 2.434 309 Q HA -0.198 4.143 4.340 0.000 0.000 0.299 309 Q C -0.912 175.075 176.000 -0.023 0.000 1.286 309 Q CA 0.993 56.706 55.803 -0.150 0.000 0.872 309 Q CB -1.512 26.956 28.738 -0.450 0.000 1.193 309 Q HN 0.718 nan 8.270 nan 0.000 0.466 310 D N -1.187 119.244 120.400 0.053 0.000 2.742 310 D HA 0.119 4.759 4.640 0.000 0.000 0.262 310 D C -0.869 175.387 176.300 -0.073 0.000 1.240 310 D CA -0.759 53.241 54.000 0.001 0.000 0.752 310 D CB 0.985 41.757 40.800 -0.045 0.000 1.290 310 D HN 0.006 nan 8.370 nan 0.000 0.420 311 K N 0.786 121.082 120.400 -0.174 0.000 3.192 311 K HA 0.242 4.562 4.320 0.000 0.000 0.269 311 K C -0.250 176.178 176.600 -0.286 0.000 1.270 311 K CA 0.034 56.086 56.287 -0.392 0.000 1.249 311 K CB -0.069 32.166 32.500 -0.442 0.000 1.528 311 K HN 0.104 nan 8.250 nan 0.000 0.360 312 T N 3.531 117.964 114.554 -0.201 0.000 2.737 312 T HA 0.149 4.499 4.350 0.000 0.000 0.296 312 T C -2.362 172.274 174.700 -0.106 0.000 0.922 312 T CA -1.622 60.405 62.100 -0.123 0.000 1.079 312 T CB 0.621 69.447 68.868 -0.071 0.000 0.892 312 T HN 0.101 nan 8.240 nan 0.000 0.514 313 P HA 0.387 nan 4.420 nan 0.000 0.276 313 P C -0.869 176.428 177.300 -0.005 0.000 1.230 313 P CA -0.436 62.642 63.100 -0.038 0.000 0.776 313 P CB 0.536 32.212 31.700 -0.041 0.000 0.888 314 A N 2.330 125.172 122.820 0.037 0.000 2.294 314 A HA 0.579 4.900 4.320 0.000 0.000 0.330 314 A C 1.127 178.724 177.584 0.023 0.000 1.133 314 A CA -0.041 52.023 52.037 0.044 0.000 0.836 314 A CB 0.289 19.340 19.000 0.085 0.000 1.190 314 A HN 0.574 nan 8.150 nan 0.000 0.492 315 T N -1.261 113.301 114.554 0.012 0.000 3.056 315 T HA 0.355 4.705 4.350 0.000 0.000 0.241 315 T C 1.269 175.954 174.700 -0.024 0.000 1.006 315 T CA 0.875 62.965 62.100 -0.018 0.000 1.115 315 T CB -0.335 68.525 68.868 -0.013 0.000 0.939 315 T HN 0.908 nan 8.240 nan 0.000 0.462 316 G N -0.096 108.719 108.800 0.025 0.000 3.434 316 G HA2 0.378 4.338 3.960 0.000 0.000 0.192 316 G HA3 0.378 4.338 3.960 0.000 0.000 0.192 316 G C -0.020 174.887 174.900 0.013 0.000 1.704 316 G CA -0.552 44.575 45.100 0.046 0.000 0.936 316 G HN 0.342 nan 8.290 nan 0.000 0.623 317 Y N 1.165 121.536 120.300 0.119 0.000 2.470 317 Y HA 0.166 4.717 4.550 0.000 0.000 0.284 317 Y C 1.849 177.783 175.900 0.055 0.000 1.188 317 Y CA -0.121 58.061 58.100 0.135 0.000 1.269 317 Y CB 0.567 39.109 38.460 0.137 0.000 1.094 317 Y HN 0.200 nan 8.280 nan 0.000 0.518 318 D N -0.748 119.748 120.400 0.160 0.000 2.310 318 D HA -0.128 4.512 4.640 0.000 0.000 0.212 318 D C 1.802 178.145 176.300 0.072 0.000 0.965 318 D CA 1.371 55.432 54.000 0.103 0.000 0.879 318 D CB 0.011 40.861 40.800 0.084 0.000 0.921 318 D HN 0.366 nan 8.370 nan 0.000 0.510 319 S N -0.812 114.950 115.700 0.104 0.000 2.557 319 S HA 0.375 4.845 4.470 0.000 0.000 0.223 319 S C 0.779 175.317 174.600 -0.103 0.000 0.969 319 S CA -0.589 57.670 58.200 0.099 0.000 0.927 319 S CB 0.499 63.848 63.200 0.249 0.000 0.806 319 S HN 0.131 nan 8.310 nan 0.000 0.489 320 A N 2.108 124.705 122.820 -0.371 0.000 2.302 320 A HA 0.566 4.886 4.320 0.000 0.000 0.295 320 A C 0.709 177.755 177.584 -0.896 0.000 1.235 320 A CA -0.585 50.756 52.037 -1.160 0.000 0.876 320 A CB -0.044 17.988 19.000 -1.614 0.000 1.133 320 A HN 0.705 nan 8.150 nan 0.000 0.533 321 H N 0.280 118.993 119.070 -0.595 0.000 2.525 321 H HA 0.151 4.707 4.556 0.000 0.000 0.275 321 H C -0.224 174.932 175.328 -0.287 0.000 0.984 321 H CA 0.519 56.359 56.048 -0.347 0.000 1.264 321 H CB -0.465 29.153 29.762 -0.239 0.000 1.432 321 H HN 0.731 nan 8.280 nan 0.000 0.549 322 Y N -0.892 119.214 120.300 -0.323 0.000 4.490 322 Y HA -0.215 4.335 4.550 0.000 0.000 0.233 322 Y C -0.253 175.542 175.900 -0.175 0.000 1.101 322 Y CA 0.126 58.040 58.100 -0.310 0.000 2.010 322 Y CB -2.188 36.089 38.460 -0.305 0.000 1.622 322 Y HN 0.240 nan 8.280 nan 0.000 0.675 323 L N -0.231 121.049 121.223 0.094 0.000 2.331 323 L HA 0.553 4.893 4.340 0.000 0.000 0.268 323 L C 0.616 177.489 176.870 0.005 0.000 1.015 323 L CA -1.387 53.410 54.840 -0.071 0.000 0.807 323 L CB 0.573 42.376 42.059 -0.426 0.000 1.293 323 L HN -0.149 nan 8.230 nan 0.000 0.451 324 M N 1.732 121.338 119.600 0.009 0.000 2.135 324 M HA 0.294 4.774 4.480 0.000 0.000 0.345 324 M C 0.237 176.555 176.300 0.030 0.000 1.340 324 M CA -0.383 54.962 55.300 0.075 0.000 1.162 324 M CB 0.286 32.967 32.600 0.134 0.000 1.570 324 M HN 0.646 nan 8.290 nan 0.000 0.454 325 A N 3.905 126.740 122.820 0.026 0.000 2.292 325 A HA 0.116 4.436 4.320 0.000 0.000 0.265 325 A C 1.151 178.737 177.584 0.003 0.000 1.133 325 A CA -0.370 51.625 52.037 -0.070 0.000 0.807 325 A CB 0.154 19.104 19.000 -0.083 0.000 1.102 325 A HN 0.998 nan 8.150 nan 0.000 0.502 326 W N -0.712 120.414 121.300 -0.290 0.000 2.350 326 W HA -0.067 4.593 4.660 0.000 0.000 0.289 326 W C -0.234 176.331 176.519 0.077 0.000 1.215 326 W CA 2.478 59.691 57.345 -0.220 0.000 1.236 326 W CB -0.097 29.181 29.460 -0.302 0.000 1.130 326 W HN 0.698 nan 8.180 nan 0.000 0.541 327 Y N -3.552 116.852 120.300 0.173 0.000 2.750 327 Y HA 0.481 5.031 4.550 0.000 0.000 0.335 327 Y C -0.986 175.011 175.900 0.162 0.000 1.252 327 Y CA -1.531 56.655 58.100 0.144 0.000 1.064 327 Y CB 0.336 38.899 38.460 0.173 0.000 1.321 327 Y HN -0.423 nan 8.280 nan 0.000 0.451 328 T N 1.463 116.292 114.554 0.459 0.000 2.841 328 T HA 0.864 5.214 4.350 0.000 0.000 0.283 328 T C -0.832 174.237 174.700 0.615 0.000 1.000 328 T CA -0.331 62.038 62.100 0.449 0.000 0.977 328 T CB 1.417 70.462 68.868 0.294 0.000 0.979 328 T HN 0.997 nan 8.240 nan 0.000 0.446 329 A N 2.766 125.946 122.820 0.600 0.000 2.374 329 A HA 0.927 5.247 4.320 0.000 0.000 0.317 329 A C -1.472 176.336 177.584 0.373 0.000 1.094 329 A CA -1.025 51.315 52.037 0.505 0.000 0.765 329 A CB 1.162 20.400 19.000 0.397 0.000 1.268 329 A HN 0.990 nan 8.150 nan 0.000 0.438 330 W N 0.715 121.841 121.300 -0.291 0.000 3.118 330 W HA 0.789 5.449 4.660 0.000 0.000 0.328 330 W C -0.250 175.596 176.519 -1.122 0.000 1.239 330 W CA -0.414 56.473 57.345 -0.764 0.000 1.176 330 W CB 1.026 30.301 29.460 -0.309 0.000 1.433 330 W HN 1.343 nan 8.180 nan 0.000 0.562 331 G N 0.096 107.800 108.800 -1.827 0.000 2.523 331 G HA2 0.664 4.624 3.960 0.000 0.000 0.291 331 G HA3 0.664 4.624 3.960 0.000 0.000 0.291 331 G C -1.266 172.354 174.900 -2.133 0.000 1.450 331 G CA -0.074 43.716 45.100 -2.184 0.000 0.790 331 G HN 1.481 nan 8.290 nan 0.000 0.496 332 G N -1.734 105.516 108.800 -2.584 0.000 2.663 332 G HA2 0.763 4.723 3.960 0.000 0.000 0.299 332 G HA3 0.763 4.723 3.960 0.000 0.000 0.299 332 G C -0.209 173.595 174.900 -1.827 0.000 1.372 332 G CA 0.279 44.319 45.100 -1.765 0.000 0.781 332 G HN 1.396 nan 8.290 nan 0.000 0.491 333 G N -1.756 105.937 108.800 -1.845 0.000 2.444 333 G HA2 0.617 4.577 3.960 0.000 0.000 0.268 333 G HA3 0.617 4.577 3.960 0.000 0.000 0.268 333 G C 1.135 175.901 174.900 -0.223 0.000 1.203 333 G CA 0.521 45.002 45.100 -1.031 0.000 0.835 333 G HN 1.554 nan 8.290 nan 0.000 0.543 334 I N 1.392 121.960 120.570 -0.003 0.000 2.235 334 I HA 0.247 4.417 4.170 0.000 0.000 0.241 334 I C 2.472 178.628 176.117 0.065 0.000 1.085 334 I CA 2.224 63.580 61.300 0.093 0.000 1.378 334 I CB -1.318 36.721 38.000 0.065 0.000 1.076 334 I HN 0.677 nan 8.210 nan 0.000 0.415 335 G N 0.295 109.143 108.800 0.080 0.000 2.607 335 G HA2 0.349 4.309 3.960 0.000 0.000 0.215 335 G HA3 0.349 4.309 3.960 0.000 0.000 0.215 335 G C 1.293 176.266 174.900 0.123 0.000 1.275 335 G CA 0.888 46.048 45.100 0.099 0.000 0.842 335 G HN 1.217 nan 8.290 nan 0.000 0.555 336 A N -0.055 122.884 122.820 0.198 0.000 2.406 336 A HA 0.494 4.814 4.320 0.000 0.000 0.243 336 A C 0.770 178.477 177.584 0.204 0.000 1.082 336 A CA 0.636 52.822 52.037 0.249 0.000 0.786 336 A CB 0.168 19.391 19.000 0.371 0.000 1.029 336 A HN 1.152 nan 8.150 nan 0.000 0.495 337 S N 2.561 118.392 115.700 0.218 0.000 2.423 337 S HA 0.645 5.116 4.470 0.000 0.000 0.317 337 S C -0.489 174.284 174.600 0.288 0.000 1.065 337 S CA -0.605 57.684 58.200 0.148 0.000 1.111 337 S CB -0.130 63.148 63.200 0.129 0.000 0.968 337 S HN 1.056 nan 8.310 nan 0.000 0.474 338 W N 1.036 122.420 121.300 0.141 0.000 3.018 338 W HA 0.831 5.492 4.660 0.000 0.000 0.352 338 W C -1.270 175.345 176.519 0.160 0.000 1.230 338 W CA -1.260 56.172 57.345 0.145 0.000 1.162 338 W CB 1.072 30.612 29.460 0.133 0.000 1.483 338 W HN 0.948 nan 8.180 nan 0.000 0.584 339 A N 1.248 124.331 122.820 0.439 0.000 2.599 339 A HA 0.786 5.106 4.320 0.000 0.000 0.294 339 A C -1.787 176.116 177.584 0.532 0.000 1.055 339 A CA -0.764 51.409 52.037 0.226 0.000 0.683 339 A CB 1.063 20.167 19.000 0.174 0.000 1.278 339 A HN 1.123 nan 8.150 nan 0.000 0.412 340 W N 0.715 122.202 121.300 0.310 0.000 3.075 340 W HA 0.831 5.491 4.660 0.000 0.000 0.334 340 W C -1.506 175.220 176.519 0.344 0.000 1.243 340 W CA -0.767 56.829 57.345 0.418 0.000 1.170 340 W CB 1.412 31.073 29.460 0.336 0.000 1.452 340 W HN 0.953 nan 8.180 nan 0.000 0.572 341 K N 2.380 123.185 120.400 0.676 0.000 2.535 341 K HA 0.553 4.873 4.320 0.000 0.000 0.251 341 K C -1.299 175.689 176.600 0.645 0.000 0.942 341 K CA -0.553 55.991 56.287 0.428 0.000 0.798 341 K CB 2.534 35.080 32.500 0.077 0.000 1.267 341 K HN 0.625 nan 8.250 nan 0.000 0.434 342 I N 0.219 121.118 120.570 0.549 0.000 2.740 342 I HA 0.668 4.838 4.170 0.000 0.000 0.303 342 I C 0.317 176.544 176.117 0.183 0.000 1.044 342 I CA -0.848 60.647 61.300 0.325 0.000 1.064 342 I CB 2.074 40.217 38.000 0.239 0.000 1.249 342 I HN 0.633 nan 8.210 nan 0.000 0.433 343 G N 2.176 110.918 108.800 -0.098 0.000 2.829 343 G HA2 0.498 4.458 3.960 0.000 0.000 0.173 343 G HA3 0.498 4.458 3.960 0.000 0.000 0.173 343 G C -1.017 173.752 174.900 -0.220 0.000 1.476 343 G CA -0.376 44.644 45.100 -0.134 0.000 1.072 343 G HN 0.860 nan 8.290 nan 0.000 0.577 344 C N -2.092 117.021 119.300 -0.311 0.000 3.171 344 C HA 0.628 5.088 4.460 0.000 0.000 0.336 344 C C 1.083 175.867 174.990 -0.345 0.000 1.198 344 C CA -0.171 58.533 59.018 -0.524 0.000 1.319 344 C CB 1.076 28.220 27.740 -0.992 0.000 1.682 344 C HN 0.542 nan 8.230 nan 0.000 0.497 345 S N 1.679 117.046 115.700 -0.555 0.000 2.535 345 S HA 0.210 4.680 4.470 0.000 0.000 0.214 345 S C 0.092 174.356 174.600 -0.560 0.000 0.980 345 S CA 0.114 58.026 58.200 -0.480 0.000 0.907 345 S CB -0.269 62.625 63.200 -0.510 0.000 0.790 345 S HN 0.795 nan 8.310 nan 0.000 0.510 346 H N 1.249 120.143 119.070 -0.293 0.000 2.466 346 H HA 0.709 5.265 4.556 0.000 0.000 0.338 346 H C -0.412 174.745 175.328 -0.284 0.000 1.091 346 H CA -0.858 55.009 56.048 -0.301 0.000 1.207 346 H CB 1.287 30.834 29.762 -0.360 0.000 1.466 346 H HN 0.140 nan 8.280 nan 0.000 0.493 347 A N 3.192 125.926 122.820 -0.142 0.000 2.356 347 A HA 0.323 4.643 4.320 0.000 0.000 0.310 347 A C -1.046 176.583 177.584 0.073 0.000 1.075 347 A CA -0.635 51.330 52.037 -0.121 0.000 0.746 347 A CB 1.328 20.091 19.000 -0.395 0.000 1.221 347 A HN 0.761 nan 8.150 nan 0.000 0.443 348 H N 3.299 122.356 119.070 -0.021 0.000 2.476 348 H HA 0.304 4.860 4.556 0.000 0.000 0.328 348 H C 0.855 176.160 175.328 -0.037 0.000 1.073 348 H CA -0.820 55.182 56.048 -0.076 0.000 1.229 348 H CB 0.919 30.553 29.762 -0.212 0.000 1.432 348 H HN 0.731 nan 8.280 nan 0.000 0.477 349 F N 3.749 123.727 119.950 0.046 0.000 2.184 349 F HA -0.128 4.399 4.527 0.000 0.000 0.301 349 F C 1.757 177.571 175.800 0.024 0.000 1.076 349 F CA 1.686 59.605 58.000 -0.134 0.000 1.295 349 F CB -0.727 37.994 39.000 -0.464 0.000 1.026 349 F HN 0.530 nan 8.300 nan 0.000 0.494 350 G N -1.351 106.892 108.800 -0.928 0.000 2.498 350 G HA2 -0.245 3.716 3.960 0.000 0.000 0.219 350 G HA3 -0.245 3.716 3.960 0.000 0.000 0.219 350 G C 0.944 175.753 174.900 -0.152 0.000 1.119 350 G CA 0.678 45.230 45.100 -0.914 0.000 0.766 350 G HN 0.519 nan 8.290 nan 0.000 0.552 351 Y N 0.259 120.358 120.300 -0.335 0.000 2.458 351 Y HA 0.279 4.829 4.550 0.000 0.000 0.256 351 Y C 1.056 176.919 175.900 -0.062 0.000 1.159 351 Y CA -0.883 57.097 58.100 -0.200 0.000 1.261 351 Y CB 0.166 38.468 38.460 -0.264 0.000 1.119 351 Y HN 0.096 nan 8.280 nan 0.000 0.524 352 Q N 0.861 120.735 119.800 0.123 0.000 2.373 352 Q HA 0.097 4.437 4.340 0.000 0.000 0.255 352 Q C -0.074 176.062 176.000 0.228 0.000 0.980 352 Q CA 0.236 56.143 55.803 0.174 0.000 0.882 352 Q CB 0.684 29.507 28.738 0.143 0.000 1.249 352 Q HN 0.125 nan 8.270 nan 0.000 0.438 353 N N 2.259 121.094 118.700 0.225 0.000 2.722 353 N HA 0.163 4.903 4.740 0.000 0.000 0.242 353 N C -2.294 173.325 175.510 0.182 0.000 1.398 353 N CA -1.448 51.712 53.050 0.183 0.000 0.755 353 N CB 1.113 39.646 38.487 0.077 0.000 1.268 353 N HN 0.147 nan 8.380 nan 0.000 0.522 354 P HA -0.082 nan 4.420 nan 0.000 0.226 354 P C 1.342 178.670 177.300 0.046 0.000 1.153 354 P CA 0.421 63.593 63.100 0.121 0.000 0.777 354 P CB 0.188 31.879 31.700 -0.015 0.000 0.794 355 F N 1.733 121.663 119.950 -0.033 0.000 2.098 355 F HA -0.124 4.403 4.527 0.000 0.000 0.294 355 F C 2.594 178.335 175.800 -0.098 0.000 1.107 355 F CA 1.476 59.466 58.000 -0.017 0.000 1.234 355 F CB -0.732 38.248 39.000 -0.033 0.000 1.002 355 F HN -0.182 nan 8.300 nan 0.000 0.472 356 Q N 0.848 120.575 119.800 -0.122 0.000 2.096 356 Q HA -0.144 4.197 4.340 0.000 0.000 0.204 356 Q C 2.341 177.992 176.000 -0.582 0.000 0.982 356 Q CA 1.925 57.504 55.803 -0.373 0.000 0.850 356 Q CB -1.114 27.480 28.738 -0.239 0.000 0.901 356 Q HN 0.531 nan 8.270 nan 0.000 0.422 357 G N 0.050 108.609 108.800 -0.401 0.000 2.446 357 G HA2 -0.302 3.658 3.960 0.000 0.000 0.217 357 G HA3 -0.302 3.658 3.960 0.000 0.000 0.217 357 G C 1.164 175.895 174.900 -0.282 0.000 1.168 357 G CA 0.811 45.707 45.100 -0.341 0.000 0.771 357 G HN 0.620 nan 8.290 nan 0.000 0.551 358 W N 0.987 121.910 121.300 -0.629 0.000 2.363 358 W HA -0.053 4.607 4.660 0.000 0.000 0.296 358 W C 2.326 178.390 176.519 -0.758 0.000 1.212 358 W CA 1.540 58.289 57.345 -0.994 0.000 1.260 358 W CB -0.225 28.681 29.460 -0.924 0.000 1.131 358 W HN 0.034 nan 8.180 nan 0.000 0.530 359 V N 0.509 119.882 119.914 -0.901 0.000 2.261 359 V HA -0.339 3.781 4.120 0.000 0.000 0.246 359 V C 2.418 178.035 176.094 -0.794 0.000 1.047 359 V CA 2.395 64.039 62.300 -1.093 0.000 1.015 359 V CB -1.298 29.848 31.823 -1.129 0.000 0.642 359 V HN 0.184 nan 8.190 nan 0.000 0.446 360 S N 0.008 115.283 115.700 -0.710 0.000 2.382 360 S HA -0.127 4.343 4.470 0.000 0.000 0.228 360 S C 2.115 176.530 174.600 -0.309 0.000 1.027 360 S CA 1.354 59.228 58.200 -0.544 0.000 0.991 360 S CB -0.397 62.181 63.200 -1.036 0.000 0.823 360 S HN 0.651 nan 8.310 nan 0.000 0.469 361 A N 0.962 123.614 122.820 -0.279 0.000 1.970 361 A HA -0.021 4.299 4.320 0.000 0.000 0.216 361 A C 2.261 179.719 177.584 -0.209 0.000 1.170 361 A CA 1.817 53.812 52.037 -0.070 0.000 0.645 361 A CB -0.532 18.572 19.000 0.173 0.000 0.816 361 A HN 0.613 nan 8.150 nan 0.000 0.447 362 T N -5.073 109.178 114.554 -0.504 0.000 2.964 362 T HA 0.150 4.500 4.350 0.000 0.000 0.250 362 T C 0.462 174.896 174.700 -0.443 0.000 0.982 362 T CA -0.245 61.558 62.100 -0.494 0.000 0.959 362 T CB -0.028 68.386 68.868 -0.757 0.000 1.141 362 T HN 0.131 nan 8.240 nan 0.000 0.494 363 Q N 2.180 121.668 119.800 -0.520 0.000 2.307 363 Q HA 0.396 4.736 4.340 0.000 0.000 0.259 363 Q C 1.179 177.100 176.000 -0.133 0.000 0.998 363 Q CA -0.026 55.585 55.803 -0.321 0.000 0.923 363 Q CB 1.572 30.123 28.738 -0.311 0.000 1.196 363 Q HN 0.358 nan 8.270 nan 0.000 0.416 364 S N 3.210 118.838 115.700 -0.120 0.000 2.381 364 S HA -0.206 4.264 4.470 0.000 0.000 0.230 364 S C 0.841 175.367 174.600 -0.124 0.000 1.052 364 S CA 1.953 60.089 58.200 -0.106 0.000 1.068 364 S CB 0.212 63.352 63.200 -0.101 0.000 0.918 364 S HN 0.559 nan 8.310 nan 0.000 0.448 365 D N -0.310 120.002 120.400 -0.147 0.000 2.224 365 D HA -0.004 4.636 4.640 0.000 0.000 0.205 365 D C 0.902 176.898 176.300 -0.507 0.000 0.965 365 D CA 0.799 54.596 54.000 -0.338 0.000 0.852 365 D CB -0.249 40.268 40.800 -0.472 0.000 0.947 365 D HN 0.519 nan 8.370 nan 0.000 0.494 366 F N 0.924 120.745 119.950 -0.214 0.000 2.660 366 F HA 0.319 4.846 4.527 0.000 0.000 0.302 366 F C 1.064 176.755 175.800 -0.182 0.000 1.103 366 F CA -0.633 57.240 58.000 -0.212 0.000 1.340 366 F CB -0.189 38.651 39.000 -0.266 0.000 1.048 366 F HN -0.250 nan 8.300 nan 0.000 0.551 367 A N 1.730 124.523 122.820 -0.047 0.000 2.545 367 A HA 0.217 4.537 4.320 0.000 0.000 0.253 367 A C -2.125 175.452 177.584 -0.012 0.000 1.074 367 A CA -0.993 51.019 52.037 -0.043 0.000 0.760 367 A CB -0.679 18.282 19.000 -0.065 0.000 1.005 367 A HN 0.018 nan 8.150 nan 0.000 0.506 368 P HA 0.041 nan 4.420 nan 0.000 0.264 368 P C 0.723 178.046 177.300 0.038 0.000 1.193 368 P CA -0.089 63.064 63.100 0.089 0.000 0.763 368 P CB 0.638 32.425 31.700 0.146 0.000 0.810 369 K N 2.223 122.651 120.400 0.047 0.000 2.283 369 K HA -0.049 4.271 4.320 0.000 0.000 0.202 369 K C 0.693 177.182 176.600 -0.184 0.000 1.048 369 K CA 0.614 56.843 56.287 -0.097 0.000 0.948 369 K CB -0.007 32.397 32.500 -0.161 0.000 0.742 369 K HN 0.638 nan 8.250 nan 0.000 0.458 370 S N -0.337 115.271 115.700 -0.152 0.000 2.614 370 S HA 0.015 4.485 4.470 0.000 0.000 0.265 370 S C 0.990 175.550 174.600 -0.067 0.000 1.303 370 S CA -0.100 58.008 58.200 -0.153 0.000 1.000 370 S CB 1.593 64.735 63.200 -0.096 0.000 0.935 370 S HN 0.263 nan 8.310 nan 0.000 0.551 371 S N 0.684 116.348 115.700 -0.059 0.000 2.528 371 S HA 0.103 4.573 4.470 0.000 0.000 0.219 371 S C 0.836 175.433 174.600 -0.005 0.000 0.985 371 S CA 0.006 58.185 58.200 -0.034 0.000 0.914 371 S CB -0.505 62.671 63.200 -0.039 0.000 0.776 371 S HN 0.729 nan 8.310 nan 0.000 0.526 372 N N 0.716 119.426 118.700 0.017 0.000 2.181 372 N HA 0.236 4.976 4.740 0.000 0.000 0.207 372 N C 1.680 177.226 175.510 0.061 0.000 1.182 372 N CA 0.710 53.783 53.050 0.038 0.000 0.893 372 N CB -0.040 38.494 38.487 0.077 0.000 1.032 372 N HN 0.488 nan 8.380 nan 0.000 0.513 373 G N 2.067 110.918 108.800 0.085 0.000 2.574 373 G HA2 -0.347 3.613 3.960 0.000 0.000 0.220 373 G HA3 -0.347 3.613 3.960 0.000 0.000 0.220 373 G C 1.515 176.542 174.900 0.212 0.000 1.173 373 G CA 1.218 46.417 45.100 0.166 0.000 0.772 373 G HN 0.317 nan 8.290 nan 0.000 0.585 374 K N 0.312 120.797 120.400 0.140 0.000 2.032 374 K HA -0.124 4.196 4.320 0.000 0.000 0.209 374 K C 2.564 179.226 176.600 0.104 0.000 1.048 374 K CA 1.394 57.755 56.287 0.124 0.000 0.927 374 K CB -0.252 32.276 32.500 0.047 0.000 0.712 374 K HN 0.287 nan 8.250 nan 0.000 0.441 375 R N 0.503 121.025 120.500 0.037 0.000 2.073 375 R HA -0.155 4.185 4.340 0.000 0.000 0.234 375 R C 1.413 177.674 176.300 -0.065 0.000 1.134 375 R CA 2.167 58.252 56.100 -0.024 0.000 0.952 375 R CB -0.301 29.961 30.300 -0.062 0.000 0.850 375 R HN 0.263 nan 8.270 nan 0.000 0.433 376 D N -0.479 119.887 120.400 -0.058 0.000 2.144 376 D HA -0.183 4.457 4.640 0.000 0.000 0.199 376 D C 1.630 177.831 176.300 -0.166 0.000 0.984 376 D CA 1.123 55.048 54.000 -0.125 0.000 0.834 376 D CB -0.420 40.347 40.800 -0.055 0.000 0.955 376 D HN 0.374 nan 8.370 nan 0.000 0.465 377 W N 1.114 122.427 121.300 0.021 0.000 2.418 377 W HA -0.112 4.548 4.660 0.000 0.000 0.292 377 W C 2.491 179.060 176.519 0.083 0.000 1.213 377 W CA 1.076 58.452 57.345 0.051 0.000 1.283 377 W CB -0.323 29.162 29.460 0.041 0.000 1.119 377 W HN -0.105 nan 8.180 nan 0.000 0.542 378 T N -0.574 114.133 114.554 0.255 0.000 2.720 378 T HA -0.220 4.130 4.350 0.000 0.000 0.268 378 T C 1.562 176.180 174.700 -0.136 0.000 1.037 378 T CA 2.058 64.252 62.100 0.156 0.000 1.144 378 T CB -0.726 68.185 68.868 0.072 0.000 0.864 378 T HN 0.077 nan 8.240 nan 0.000 0.444 379 T N 1.245 115.651 114.554 -0.247 0.000 2.737 379 T HA -0.082 4.269 4.350 0.000 0.000 0.265 379 T C 2.344 176.785 174.700 -0.432 0.000 1.038 379 T CA 1.418 63.232 62.100 -0.476 0.000 1.144 379 T CB -0.436 67.927 68.868 -0.841 0.000 0.866 379 T HN 0.368 nan 8.240 nan 0.000 0.434 380 S N 0.705 116.241 115.700 -0.273 0.000 2.356 380 S HA -0.141 4.329 4.470 0.000 0.000 0.223 380 S C 2.059 176.717 174.600 0.096 0.000 1.032 380 S CA 1.636 59.779 58.200 -0.094 0.000 1.005 380 S CB -0.551 62.557 63.200 -0.153 0.000 0.867 380 S HN 0.743 nan 8.310 nan 0.000 0.449 381 Y N 1.236 121.640 120.300 0.173 0.000 2.224 381 Y HA 0.048 4.598 4.550 0.000 0.000 0.289 381 Y C 1.938 177.859 175.900 0.036 0.000 1.146 381 Y CA 1.508 59.694 58.100 0.143 0.000 1.182 381 Y CB -0.516 38.038 38.460 0.157 0.000 0.983 381 Y HN 0.148 nan 8.280 nan 0.000 0.524 382 K N 0.121 120.202 120.400 -0.533 0.000 2.097 382 K HA -0.157 4.163 4.320 0.000 0.000 0.205 382 K C 2.229 178.764 176.600 -0.107 0.000 1.050 382 K CA 1.381 57.436 56.287 -0.387 0.000 0.938 382 K CB -0.221 32.005 32.500 -0.458 0.000 0.718 382 K HN 0.163 nan 8.250 nan 0.000 0.442 383 R N 2.021 122.450 120.500 -0.118 0.000 2.073 383 R HA -0.127 4.213 4.340 0.000 0.000 0.234 383 R C 2.068 178.441 176.300 0.121 0.000 1.134 383 R CA 1.715 57.789 56.100 -0.043 0.000 0.952 383 R CB -0.418 29.791 30.300 -0.150 0.000 0.850 383 R HN 0.240 nan 8.270 nan 0.000 0.433 384 Q N -0.121 119.745 119.800 0.111 0.000 2.077 384 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 384 Q C 2.207 178.414 176.000 0.344 0.000 0.989 384 Q CA 1.988 57.917 55.803 0.210 0.000 0.853 384 Q CB -0.290 28.601 28.738 0.255 0.000 0.907 384 Q HN 0.339 nan 8.270 nan 0.000 0.418 385 L N 0.568 121.926 121.223 0.224 0.000 2.079 385 L HA -0.216 4.124 4.340 0.000 0.000 0.210 385 L C 2.213 179.192 176.870 0.182 0.000 1.081 385 L CA 1.248 56.190 54.840 0.170 0.000 0.752 385 L CB -0.348 41.712 42.059 0.002 0.000 0.896 385 L HN 0.255 nan 8.230 nan 0.000 0.433 386 E N -0.653 119.661 120.200 0.191 0.000 2.106 386 E HA -0.222 4.128 4.350 0.000 0.000 0.192 386 E C 2.035 178.564 176.600 -0.119 0.000 0.984 386 E CA 0.968 57.449 56.400 0.136 0.000 0.806 386 E CB -0.111 29.821 29.700 0.386 0.000 0.750 386 E HN 0.314 nan 8.360 nan 0.000 0.458 387 F N 0.730 120.534 119.950 -0.243 0.000 2.095 387 F HA -0.253 4.274 4.527 0.000 0.000 0.298 387 F C 1.775 177.338 175.800 -0.395 0.000 1.104 387 F CA 1.455 59.040 58.000 -0.692 0.000 1.232 387 F CB -0.541 38.126 39.000 -0.554 0.000 0.987 387 F HN 0.020 nan 8.300 nan 0.000 0.475 388 Y N 0.505 120.673 120.300 -0.219 0.000 2.114 388 Y HA -0.320 4.231 4.550 0.000 0.000 0.282 388 Y C 2.665 178.336 175.900 -0.381 0.000 1.165 388 Y CA 2.173 60.094 58.100 -0.298 0.000 1.148 388 Y CB -0.914 37.448 38.460 -0.164 0.000 0.972 388 Y HN 0.171 nan 8.280 nan 0.000 0.504 389 Q N -1.793 117.915 119.800 -0.154 0.000 2.119 389 Q HA -0.246 4.094 4.340 0.000 0.000 0.201 389 Q C 1.992 177.862 176.000 -0.217 0.000 0.972 389 Q CA 1.601 57.255 55.803 -0.248 0.000 0.847 389 Q CB -0.573 28.123 28.738 -0.070 0.000 0.903 389 Q HN 0.665 nan 8.270 nan 0.000 0.433 390 W N 0.893 121.838 121.300 -0.591 0.000 2.402 390 W HA -0.079 4.581 4.660 0.000 0.000 0.286 390 W C 0.999 177.336 176.519 -0.302 0.000 1.221 390 W CA 1.030 58.145 57.345 -0.384 0.000 1.257 390 W CB 0.052 29.155 29.460 -0.596 0.000 1.120 390 W HN 0.025 nan 8.180 nan 0.000 0.551 391 L N 0.577 121.440 121.223 -0.600 0.000 2.592 391 L HA 0.112 4.452 4.340 0.000 0.000 0.227 391 L C 1.203 177.727 176.870 -0.575 0.000 1.127 391 L CA 0.024 54.372 54.840 -0.820 0.000 0.884 391 L CB -0.552 40.943 42.059 -0.941 0.000 1.065 391 L HN -0.161 nan 8.230 nan 0.000 0.457 392 Q N 1.723 121.292 119.800 -0.385 0.000 2.281 392 Q HA 0.100 4.440 4.340 0.000 0.000 0.267 392 Q C 0.571 176.504 176.000 -0.112 0.000 1.053 392 Q CA -0.286 55.352 55.803 -0.274 0.000 0.905 392 Q CB 0.839 29.357 28.738 -0.367 0.000 1.195 392 Q HN 0.365 nan 8.270 nan 0.000 0.398 393 S N 3.052 118.667 115.700 -0.142 0.000 2.580 393 S HA 0.102 4.572 4.470 0.000 0.000 0.261 393 S C 1.177 175.721 174.600 -0.093 0.000 1.366 393 S CA -0.050 58.081 58.200 -0.115 0.000 0.996 393 S CB 0.919 64.070 63.200 -0.082 0.000 0.902 393 S HN 0.769 nan 8.310 nan 0.000 0.566 394 A N 0.792 123.517 122.820 -0.158 0.000 1.940 394 A HA -0.068 4.252 4.320 0.000 0.000 0.219 394 A C 2.020 179.573 177.584 -0.051 0.000 1.176 394 A CA 1.831 53.803 52.037 -0.108 0.000 0.631 394 A CB -1.096 17.789 19.000 -0.191 0.000 0.814 394 A HN 0.890 nan 8.150 nan 0.000 0.446 395 E N -1.901 118.229 120.200 -0.116 0.000 2.158 395 E HA 0.273 4.623 4.350 0.000 0.000 0.191 395 E C 1.524 177.989 176.600 -0.225 0.000 0.982 395 E CA 1.176 57.499 56.400 -0.129 0.000 0.823 395 E CB -0.080 29.512 29.700 -0.181 0.000 0.766 395 E HN 0.708 nan 8.360 nan 0.000 0.468 396 G N -0.629 107.942 108.800 -0.382 0.000 3.006 396 G HA2 -0.131 3.829 3.960 0.000 0.000 0.195 396 G HA3 -0.131 3.829 3.960 0.000 0.000 0.195 396 G C 0.681 175.338 174.900 -0.404 0.000 1.034 396 G CA -0.361 44.586 45.100 -0.257 0.000 0.807 396 G HN 0.529 nan 8.290 nan 0.000 0.469 397 G N 0.932 108.960 108.800 -1.286 0.000 2.554 397 G HA2 0.452 4.412 3.960 0.000 0.000 0.238 397 G HA3 0.452 4.412 3.960 0.000 0.000 0.238 397 G C 0.201 174.973 174.900 -0.212 0.000 1.259 397 G CA 0.017 44.505 45.100 -1.021 0.000 0.843 397 G HN 0.425 nan 8.290 nan 0.000 0.582 398 I N 1.476 121.949 120.570 -0.162 0.000 2.342 398 I HA 0.365 4.535 4.170 0.000 0.000 0.291 398 I C 1.044 176.607 176.117 -0.923 0.000 1.010 398 I CA -0.986 59.924 61.300 -0.649 0.000 1.308 398 I CB 0.491 37.760 38.000 -1.218 0.000 1.400 398 I HN 0.547 nan 8.210 nan 0.000 0.488 399 A N 4.882 127.097 122.820 -1.008 0.000 2.310 399 A HA 0.559 4.879 4.320 0.000 0.000 0.260 399 A C 1.442 178.440 177.584 -0.976 0.000 1.112 399 A CA 0.295 51.501 52.037 -1.386 0.000 0.804 399 A CB -0.200 18.234 19.000 -0.943 0.000 1.081 399 A HN 0.895 nan 8.150 nan 0.000 0.499 400 G N -0.720 107.513 108.800 -0.945 0.000 2.587 400 G HA2 0.324 4.285 3.960 0.000 0.000 0.217 400 G HA3 0.324 4.285 3.960 0.000 0.000 0.217 400 G C 0.888 175.398 174.900 -0.650 0.000 1.240 400 G CA 1.650 46.258 45.100 -0.819 0.000 0.794 400 G HN 2.063 nan 8.290 nan 0.000 0.580 401 G N -2.054 106.422 108.800 -0.541 0.000 2.455 401 G HA2 0.621 4.581 3.960 0.000 0.000 0.223 401 G HA3 0.621 4.581 3.960 0.000 0.000 0.223 401 G C -1.389 173.525 174.900 0.024 0.000 1.226 401 G CA 0.252 45.235 45.100 -0.195 0.000 0.948 401 G HN 1.520 nan 8.290 nan 0.000 0.478 402 A N -1.658 121.293 122.820 0.218 0.000 2.609 402 A HA 0.942 5.262 4.320 0.000 0.000 0.291 402 A C -0.673 176.945 177.584 0.056 0.000 1.096 402 A CA 0.423 52.589 52.037 0.215 0.000 0.684 402 A CB 1.595 20.886 19.000 0.485 0.000 1.282 402 A HN 1.742 nan 8.150 nan 0.000 0.412 403 T N -0.831 113.762 114.554 0.065 0.000 2.906 403 T HA 0.454 4.804 4.350 0.000 0.000 0.295 403 T C 0.195 174.967 174.700 0.119 0.000 1.061 403 T CA -0.290 61.852 62.100 0.069 0.000 1.000 403 T CB 1.536 70.493 68.868 0.148 0.000 1.103 403 T HN 0.665 nan 8.240 nan 0.000 0.486 404 N N 1.273 120.027 118.700 0.089 0.000 2.299 404 N HA 0.177 4.917 4.740 0.000 0.000 0.187 404 N C -0.173 175.457 175.510 0.201 0.000 1.099 404 N CA 0.043 53.227 53.050 0.223 0.000 0.867 404 N CB 0.546 39.159 38.487 0.210 0.000 0.974 404 N HN 0.348 nan 8.380 nan 0.000 0.477 405 S N 0.388 116.080 115.700 -0.014 0.000 2.259 405 S HA 0.144 4.614 4.470 0.000 0.000 0.181 405 S C -1.149 173.466 174.600 0.025 0.000 1.589 405 S CA -0.783 57.252 58.200 -0.276 0.000 1.234 405 S CB -0.441 62.167 63.200 -0.986 0.000 1.119 405 S HN 0.280 nan 8.310 nan 0.000 0.458 406 W N 4.410 125.757 121.300 0.079 0.000 2.295 406 W HA 0.015 4.675 4.660 0.000 0.000 0.335 406 W C 0.071 176.598 176.519 0.014 0.000 1.351 406 W CA 0.722 58.115 57.345 0.079 0.000 1.273 406 W CB -0.028 29.565 29.460 0.221 0.000 1.214 406 W HN 0.830 nan 8.180 nan 0.000 0.563 407 N N 2.926 121.361 118.700 -0.442 0.000 2.708 407 N HA -0.213 4.527 4.740 0.000 0.000 0.251 407 N C 0.901 176.306 175.510 -0.175 0.000 1.123 407 N CA 1.977 54.843 53.050 -0.306 0.000 0.739 407 N CB -1.576 36.828 38.487 -0.139 0.000 1.113 407 N HN 0.886 nan 8.380 nan 0.000 0.561 408 G N -0.637 108.087 108.800 -0.127 0.000 2.166 408 G HA2 -0.377 3.583 3.960 0.000 0.000 0.260 408 G HA3 -0.377 3.583 3.960 0.000 0.000 0.260 408 G C 0.655 175.494 174.900 -0.102 0.000 0.986 408 G CA 0.868 45.912 45.100 -0.092 0.000 0.683 408 G HN 0.602 nan 8.290 nan 0.000 0.527 409 R N -1.424 119.049 120.500 -0.044 0.000 2.616 409 R HA 0.345 4.685 4.340 0.000 0.000 0.427 409 R C 0.247 176.715 176.300 0.281 0.000 1.030 409 R CA -0.496 55.692 56.100 0.147 0.000 1.133 409 R CB 0.380 30.734 30.300 0.089 0.000 1.444 409 R HN 0.430 nan 8.270 nan 0.000 0.578 410 Y N 0.912 121.332 120.300 0.201 0.000 3.108 410 Y HA -0.307 4.243 4.550 0.000 0.000 0.208 410 Y C -0.025 175.965 175.900 0.149 0.000 1.245 410 Y CA 0.421 58.626 58.100 0.176 0.000 1.171 410 Y CB -2.069 36.455 38.460 0.107 0.000 1.331 410 Y HN 0.238 nan 8.280 nan 0.000 0.534 411 E N 0.590 120.969 120.200 0.298 0.000 2.392 411 E HA 0.105 4.456 4.350 0.000 0.000 0.259 411 E C 0.496 177.209 176.600 0.188 0.000 1.108 411 E CA -0.858 55.696 56.400 0.256 0.000 0.916 411 E CB 0.632 30.540 29.700 0.346 0.000 0.989 411 E HN 0.170 nan 8.360 nan 0.000 0.432 412 K N 2.052 122.488 120.400 0.061 0.000 2.451 412 K HA 0.001 4.321 4.320 0.000 0.000 0.280 412 K C -0.740 175.797 176.600 -0.106 0.000 1.020 412 K CA -0.148 56.096 56.287 -0.073 0.000 1.008 412 K CB 0.237 32.699 32.500 -0.063 0.000 0.917 412 K HN 0.294 nan 8.250 nan 0.000 0.478 413 Y N 3.742 123.892 120.300 -0.250 0.000 2.597 413 Y HA 0.043 4.593 4.550 0.000 0.000 0.336 413 Y C -1.658 173.942 175.900 -0.500 0.000 1.216 413 Y CA -2.488 55.270 58.100 -0.570 0.000 1.463 413 Y CB -0.772 37.457 38.460 -0.385 0.000 1.303 413 Y HN 0.550 nan 8.280 nan 0.000 0.576 414 P HA 0.064 nan 4.420 nan 0.000 0.267 414 P C -0.635 176.584 177.300 -0.135 0.000 1.201 414 P CA -0.003 62.934 63.100 -0.272 0.000 0.775 414 P CB 0.494 32.016 31.700 -0.296 0.000 0.854 415 A N 2.306 125.087 122.820 -0.065 0.000 2.498 415 A HA 0.431 4.751 4.320 0.000 0.000 0.239 415 A C 1.530 179.106 177.584 -0.012 0.000 1.068 415 A CA 0.590 52.612 52.037 -0.026 0.000 0.766 415 A CB -1.205 17.789 19.000 -0.010 0.000 1.003 415 A HN 0.896 nan 8.150 nan 0.000 0.497 416 G N 1.479 110.284 108.800 0.007 0.000 2.162 416 G HA2 -0.223 3.738 3.960 0.000 0.000 0.260 416 G HA3 -0.223 3.738 3.960 0.000 0.000 0.260 416 G C 0.463 175.384 174.900 0.035 0.000 0.976 416 G CA 0.637 45.751 45.100 0.023 0.000 0.655 416 G HN 1.195 nan 8.290 nan 0.000 0.533 417 T N 1.753 116.319 114.554 0.019 0.000 2.799 417 T HA 0.470 4.820 4.350 0.000 0.000 0.296 417 T C 0.912 175.678 174.700 0.109 0.000 0.947 417 T CA 0.727 62.842 62.100 0.024 0.000 1.141 417 T CB 1.027 69.824 68.868 -0.117 0.000 0.891 417 T HN 1.087 nan 8.240 nan 0.000 0.533 418 S N 3.748 119.551 115.700 0.171 0.000 2.584 418 S HA 0.606 5.076 4.470 0.000 0.000 0.273 418 S C 0.232 175.082 174.600 0.416 0.000 1.311 418 S CA -0.707 57.650 58.200 0.263 0.000 1.034 418 S CB 0.726 64.068 63.200 0.237 0.000 0.939 418 S HN 0.786 nan 8.310 nan 0.000 0.513 419 T N 0.154 114.942 114.554 0.390 0.000 2.901 419 T HA 0.689 5.039 4.350 0.000 0.000 0.293 419 T C -1.186 173.490 174.700 -0.039 0.000 1.084 419 T CA -0.747 61.508 62.100 0.259 0.000 1.008 419 T CB 1.254 70.237 68.868 0.191 0.000 1.170 419 T HN 0.707 nan 8.240 nan 0.000 0.509 420 F N 2.305 121.985 119.950 -0.451 0.000 2.610 420 F HA 0.463 4.990 4.527 0.000 0.000 0.355 420 F C -0.816 174.938 175.800 -0.077 0.000 1.140 420 F CA -1.184 56.403 58.000 -0.689 0.000 1.037 420 F CB 0.538 38.685 39.000 -1.421 0.000 1.287 420 F HN 0.810 nan 8.300 nan 0.000 0.457 421 Y N 4.148 124.166 120.300 -0.470 0.000 3.305 421 Y HA -0.191 4.359 4.550 0.000 0.000 0.212 421 Y C 1.466 177.325 175.900 -0.069 0.000 1.248 421 Y CA 1.223 59.151 58.100 -0.287 0.000 1.359 421 Y CB -1.214 37.007 38.460 -0.398 0.000 1.407 421 Y HN 1.102 nan 8.280 nan 0.000 0.572 422 G N -1.472 107.374 108.800 0.077 0.000 2.234 422 G HA2 -0.373 3.587 3.960 0.000 0.000 0.260 422 G HA3 -0.373 3.587 3.960 0.000 0.000 0.260 422 G C 0.406 175.497 174.900 0.319 0.000 0.987 422 G CA 0.254 45.461 45.100 0.179 0.000 0.625 422 G HN 0.423 nan 8.290 nan 0.000 0.532 423 M N 1.295 121.049 119.600 0.256 0.000 2.250 423 M HA 0.566 5.046 4.480 0.000 0.000 0.344 423 M C 0.766 177.165 176.300 0.166 0.000 1.150 423 M CA 0.238 55.693 55.300 0.259 0.000 1.147 423 M CB 1.327 34.060 32.600 0.222 0.000 1.498 423 M HN 0.441 nan 8.290 nan 0.000 0.461 424 A N 2.844 125.613 122.820 -0.085 0.000 2.331 424 A HA 0.280 4.600 4.320 0.000 0.000 0.283 424 A C -1.049 176.658 177.584 0.205 0.000 1.142 424 A CA -0.454 51.442 52.037 -0.235 0.000 0.812 424 A CB 0.150 18.558 19.000 -0.987 0.000 1.074 424 A HN 0.744 nan 8.150 nan 0.000 0.497 425 Y N 3.362 123.825 120.300 0.271 0.000 2.632 425 Y HA 0.333 4.883 4.550 0.000 0.000 0.329 425 Y C 0.076 176.033 175.900 0.095 0.000 1.174 425 Y CA 0.444 58.679 58.100 0.226 0.000 1.469 425 Y CB 0.415 38.926 38.460 0.084 0.000 1.242 425 Y HN 0.690 nan 8.280 nan 0.000 0.540 426 V N 5.803 125.214 119.914 -0.839 0.000 2.588 426 V HA 0.460 4.580 4.120 0.000 0.000 0.304 426 V C -2.625 172.698 176.094 -1.285 0.000 1.042 426 V CA -2.265 59.507 62.300 -0.879 0.000 0.877 426 V CB 1.932 33.428 31.823 -0.545 0.000 0.996 426 V HN 0.597 nan 8.190 nan 0.000 0.425 427 P HA 0.061 nan 4.420 nan 0.000 0.222 427 P C 0.244 176.909 177.300 -1.058 0.000 1.153 427 P CA 1.123 63.641 63.100 -0.970 0.000 0.798 427 P CB 0.053 31.426 31.700 -0.546 0.000 0.796 428 H N -1.607 117.205 119.070 -0.430 0.000 2.448 428 H HA 0.330 4.887 4.556 0.000 0.000 0.237 428 H C -2.516 172.564 175.328 -0.413 0.000 1.391 428 H CA -2.288 53.566 56.048 -0.323 0.000 1.477 428 H CB 0.296 29.967 29.762 -0.151 0.000 1.520 428 H HN 0.059 nan 8.280 nan 0.000 0.502 429 P HA -0.078 nan 4.420 nan 0.000 0.262 429 P C 1.073 177.950 177.300 -0.705 0.000 1.182 429 P CA 0.545 63.332 63.100 -0.522 0.000 0.761 429 P CB 1.221 32.665 31.700 -0.427 0.000 0.795 430 V N 1.177 120.540 119.914 -0.917 0.000 0.500 430 V HA -0.313 3.807 4.120 0.000 0.000 0.092 430 V C 0.157 175.620 176.094 -1.052 0.000 2.319 430 V CA 1.591 63.137 62.300 -1.257 0.000 3.608 430 V CB -2.133 28.444 31.823 -2.077 0.000 0.893 430 V HN 0.434 nan 8.190 nan 0.000 0.936 431 Y N -1.157 118.812 120.300 -0.552 0.000 2.485 431 Y HA 0.836 5.386 4.550 0.000 0.000 0.345 431 Y C 0.483 176.257 175.900 -0.211 0.000 0.998 431 Y CA -0.436 57.456 58.100 -0.347 0.000 1.059 431 Y CB 1.882 40.144 38.460 -0.330 0.000 1.234 431 Y HN 0.166 nan 8.280 nan 0.000 0.461 432 A N 0.437 123.277 122.820 0.032 0.000 2.324 432 A HA 0.201 4.521 4.320 0.000 0.000 0.220 432 A C -0.287 177.292 177.584 -0.007 0.000 1.209 432 A CA 0.382 52.403 52.037 -0.028 0.000 0.918 432 A CB 0.207 19.184 19.000 -0.038 0.000 0.959 432 A HN 0.568 nan 8.150 nan 0.000 0.507 433 D N 0.832 121.257 120.400 0.041 0.000 2.346 433 D HA 0.376 5.016 4.640 0.000 0.000 0.255 433 D C -2.804 173.541 176.300 0.075 0.000 1.276 433 D CA -1.485 52.551 54.000 0.061 0.000 0.941 433 D CB 1.753 42.606 40.800 0.089 0.000 1.199 433 D HN 0.128 nan 8.370 nan 0.000 0.537 434 P HA 0.388 nan 4.420 nan 0.000 0.279 434 P C 0.498 177.815 177.300 0.028 0.000 1.276 434 P CA -0.485 62.652 63.100 0.062 0.000 0.801 434 P CB 0.579 32.339 31.700 0.101 0.000 1.127 435 G N 0.147 108.890 108.800 -0.095 0.000 2.224 435 G HA2 0.080 4.040 3.960 0.000 0.000 0.239 435 G HA3 0.080 4.040 3.960 0.000 0.000 0.239 435 G C 1.248 176.245 174.900 0.162 0.000 1.240 435 G CA 0.301 45.216 45.100 -0.308 0.000 0.896 435 G HN 0.559 nan 8.290 nan 0.000 0.496 436 S N 1.296 117.168 115.700 0.286 0.000 2.469 436 S HA -0.131 4.339 4.470 0.000 0.000 0.238 436 S C 1.544 176.596 174.600 0.752 0.000 0.998 436 S CA 1.199 59.666 58.200 0.446 0.000 0.957 436 S CB -0.016 63.323 63.200 0.232 0.000 0.764 436 S HN 0.533 nan 8.310 nan 0.000 0.514 437 N N 0.785 119.954 118.700 0.783 0.000 2.275 437 N HA 0.217 4.957 4.740 0.000 0.000 0.236 437 N C 1.121 177.158 175.510 0.878 0.000 1.154 437 N CA -0.154 53.332 53.050 0.726 0.000 0.866 437 N CB 0.022 38.551 38.487 0.069 0.000 1.093 437 N HN 0.612 nan 8.380 nan 0.000 0.515 438 Q N -1.048 119.216 119.800 0.773 0.000 2.187 438 Q HA -0.052 4.288 4.340 0.000 0.000 0.199 438 Q C -0.276 176.095 176.000 0.618 0.000 0.957 438 Q CA 0.450 56.630 55.803 0.629 0.000 0.857 438 Q CB 0.081 29.057 28.738 0.397 0.000 0.929 438 Q HN 0.380 nan 8.270 nan 0.000 0.453 439 W N 0.874 122.423 121.300 0.415 0.000 2.529 439 W HA 0.023 4.683 4.660 0.000 0.000 0.319 439 W C 0.450 177.174 176.519 0.341 0.000 1.362 439 W CA -0.802 56.701 57.345 0.263 0.000 1.348 439 W CB -0.007 29.463 29.460 0.018 0.000 1.403 439 W HN 0.153 nan 8.180 nan 0.000 0.519 440 F N 5.041 124.963 119.950 -0.045 0.000 2.250 440 F HA -0.088 4.439 4.527 0.000 0.000 0.301 440 F C 1.993 177.474 175.800 -0.531 0.000 1.077 440 F CA 2.266 60.202 58.000 -0.108 0.000 1.348 440 F CB -0.464 38.483 39.000 -0.088 0.000 1.040 440 F HN 0.456 nan 8.300 nan 0.000 0.509 441 G N 0.072 107.808 108.800 -1.773 0.000 2.505 441 G HA2 -0.338 3.622 3.960 0.000 0.000 0.220 441 G HA3 -0.338 3.622 3.960 0.000 0.000 0.220 441 G C 1.695 175.650 174.900 -1.576 0.000 1.145 441 G CA 1.180 44.768 45.100 -2.521 0.000 0.761 441 G HN 0.484 nan 8.290 nan 0.000 0.571 442 F N 0.630 120.076 119.950 -0.840 0.000 2.216 442 F HA -0.110 4.417 4.527 0.000 0.000 0.300 442 F C 3.084 178.867 175.800 -0.029 0.000 1.085 442 F CA 0.944 58.759 58.000 -0.309 0.000 1.326 442 F CB 0.026 38.911 39.000 -0.192 0.000 1.027 442 F HN 0.075 nan 8.300 nan 0.000 0.497 443 Q N 0.542 120.486 119.800 0.240 0.000 2.030 443 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 443 Q C 2.594 178.745 176.000 0.251 0.000 0.986 443 Q CA 1.737 57.784 55.803 0.406 0.000 0.843 443 Q CB -1.093 27.743 28.738 0.164 0.000 0.904 443 Q HN 0.461 nan 8.270 nan 0.000 0.420 444 A N 0.361 123.177 122.820 -0.006 0.000 1.841 444 A HA -0.171 4.149 4.320 0.000 0.000 0.214 444 A C 1.877 179.649 177.584 0.313 0.000 1.195 444 A CA 1.275 53.435 52.037 0.205 0.000 0.611 444 A CB -1.108 17.986 19.000 0.157 0.000 0.835 444 A HN 0.387 nan 8.150 nan 0.000 0.443 445 W N 0.170 121.511 121.300 0.067 0.000 2.304 445 W HA -0.157 4.503 4.660 0.000 0.000 0.315 445 W C 3.034 179.620 176.519 0.113 0.000 1.233 445 W CA 1.344 58.765 57.345 0.126 0.000 1.261 445 W CB -1.274 28.252 29.460 0.110 0.000 1.150 445 W HN 0.354 nan 8.180 nan 0.000 0.494 446 S N -1.270 114.650 115.700 0.366 0.000 2.371 446 S HA -0.085 4.385 4.470 0.000 0.000 0.221 446 S C 1.919 176.645 174.600 0.212 0.000 1.036 446 S CA 1.092 59.481 58.200 0.315 0.000 0.965 446 S CB -0.331 63.054 63.200 0.309 0.000 0.845 446 S HN -0.090 nan 8.310 nan 0.000 0.475 447 M N 1.617 121.226 119.600 0.015 0.000 2.279 447 M HA -0.022 4.458 4.480 0.000 0.000 0.264 447 M C 2.136 178.290 176.300 -0.244 0.000 1.062 447 M CA 1.074 56.131 55.300 -0.404 0.000 1.099 447 M CB -1.358 30.431 32.600 -1.351 0.000 1.394 447 M HN 0.399 nan 8.290 nan 0.000 0.426 448 Q N 1.021 120.799 119.800 -0.035 0.000 2.181 448 Q HA -0.179 4.161 4.340 0.000 0.000 0.205 448 Q C 1.914 177.945 176.000 0.053 0.000 0.980 448 Q CA 1.643 57.498 55.803 0.086 0.000 0.862 448 Q CB -0.101 28.779 28.738 0.236 0.000 0.905 448 Q HN 0.492 nan 8.270 nan 0.000 0.429 449 R N -0.832 119.690 120.500 0.037 0.000 2.073 449 R HA -0.038 4.302 4.340 0.000 0.000 0.229 449 R C 2.490 178.802 176.300 0.019 0.000 1.120 449 R CA 1.226 57.341 56.100 0.025 0.000 0.967 449 R CB -0.274 30.075 30.300 0.081 0.000 0.862 449 R HN 0.055 nan 8.270 nan 0.000 0.436 450 V N 1.115 120.975 119.914 -0.090 0.000 2.332 450 V HA -0.284 3.836 4.120 0.000 0.000 0.248 450 V C 2.294 178.414 176.094 0.043 0.000 1.055 450 V CA 1.566 63.788 62.300 -0.130 0.000 1.038 450 V CB -0.381 31.173 31.823 -0.449 0.000 0.651 450 V HN 0.284 nan 8.190 nan 0.000 0.450 451 M N -0.485 119.133 119.600 0.029 0.000 2.117 451 M HA -0.160 4.320 4.480 0.000 0.000 0.262 451 M C 2.136 178.513 176.300 0.129 0.000 1.065 451 M CA 1.536 56.922 55.300 0.143 0.000 1.114 451 M CB -1.288 31.412 32.600 0.166 0.000 1.361 451 M HN 0.443 nan 8.290 nan 0.000 0.408 452 E N -0.991 119.221 120.200 0.020 0.000 2.106 452 E HA -0.217 4.134 4.350 0.000 0.000 0.192 452 E C 1.975 178.569 176.600 -0.010 0.000 0.984 452 E CA 1.039 57.380 56.400 -0.099 0.000 0.806 452 E CB -0.317 29.088 29.700 -0.492 0.000 0.750 452 E HN 0.525 nan 8.360 nan 0.000 0.458 453 Y N 0.251 120.561 120.300 0.018 0.000 2.181 453 Y HA -0.324 4.227 4.550 0.000 0.000 0.288 453 Y C 2.140 177.945 175.900 -0.159 0.000 1.146 453 Y CA 1.744 59.835 58.100 -0.014 0.000 1.164 453 Y CB -0.372 38.067 38.460 -0.034 0.000 0.982 453 Y HN 0.088 nan 8.280 nan 0.000 0.515 454 Y N 0.038 120.195 120.300 -0.238 0.000 2.263 454 Y HA -0.173 4.377 4.550 0.000 0.000 0.292 454 Y C 2.329 178.067 175.900 -0.270 0.000 1.130 454 Y CA 1.378 59.269 58.100 -0.349 0.000 1.179 454 Y CB -0.635 37.771 38.460 -0.090 0.000 0.998 454 Y HN 0.251 nan 8.280 nan 0.000 0.532 455 L N 0.112 121.276 121.223 -0.098 0.000 1.990 455 L HA -0.247 4.093 4.340 0.000 0.000 0.213 455 L C 2.009 178.961 176.870 0.137 0.000 1.072 455 L CA 2.100 56.959 54.840 0.033 0.000 0.755 455 L CB -0.317 41.774 42.059 0.053 0.000 0.889 455 L HN 0.262 nan 8.230 nan 0.000 0.432 456 E N -1.038 119.110 120.200 -0.086 0.000 2.371 456 E HA -0.088 4.262 4.350 0.000 0.000 0.194 456 E C 1.808 178.217 176.600 -0.318 0.000 1.012 456 E CA 1.350 57.677 56.400 -0.121 0.000 0.860 456 E CB 0.141 29.692 29.700 -0.249 0.000 0.811 456 E HN 0.675 nan 8.360 nan 0.000 0.502 457 T N -4.609 109.522 114.554 -0.704 0.000 2.964 457 T HA 0.289 4.639 4.350 0.000 0.000 0.249 457 T C 1.614 175.619 174.700 -1.159 0.000 1.000 457 T CA 0.661 62.281 62.100 -0.799 0.000 0.992 457 T CB 0.559 68.744 68.868 -1.138 0.000 1.087 457 T HN 0.128 nan 8.240 nan 0.000 0.489 458 G N 2.122 109.818 108.800 -1.839 0.000 2.155 458 G HA2 -0.258 3.703 3.960 0.000 0.000 0.257 458 G HA3 -0.258 3.703 3.960 0.000 0.000 0.257 458 G C -0.138 174.163 174.900 -0.999 0.000 0.983 458 G CA 0.247 43.779 45.100 -2.612 0.000 0.676 458 G HN 0.749 nan 8.290 nan 0.000 0.528 459 D N 0.660 120.707 120.400 -0.587 0.000 2.455 459 D HA 0.264 4.904 4.640 0.000 0.000 0.265 459 D C 1.659 177.990 176.300 0.052 0.000 1.284 459 D CA 0.788 54.691 54.000 -0.160 0.000 0.944 459 D CB 0.210 41.001 40.800 -0.015 0.000 1.121 459 D HN 0.144 nan 8.370 nan 0.000 0.525 460 S N 2.187 117.905 115.700 0.029 0.000 2.392 460 S HA -0.234 4.236 4.470 0.000 0.000 0.232 460 S C 1.896 176.538 174.600 0.071 0.000 1.041 460 S CA 1.648 59.892 58.200 0.074 0.000 1.026 460 S CB -0.133 63.102 63.200 0.059 0.000 0.845 460 S HN 0.715 nan 8.310 nan 0.000 0.465 461 S N -0.064 115.687 115.700 0.086 0.000 2.555 461 S HA 0.113 4.583 4.470 0.000 0.000 0.230 461 S C 1.283 175.932 174.600 0.080 0.000 0.978 461 S CA 0.293 58.552 58.200 0.098 0.000 0.934 461 S CB 0.108 63.382 63.200 0.123 0.000 0.766 461 S HN 0.273 nan 8.310 nan 0.000 0.533 462 V N 0.380 120.322 119.914 0.048 0.000 3.643 462 V HA 0.249 4.369 4.120 0.000 0.000 0.280 462 V C 2.222 178.215 176.094 -0.167 0.000 1.351 462 V CA 0.327 62.614 62.300 -0.021 0.000 1.073 462 V CB 0.076 31.948 31.823 0.081 0.000 0.863 462 V HN 0.362 nan 8.190 nan 0.000 0.436 463 K N 0.851 121.141 120.400 -0.184 0.000 2.009 463 K HA -0.205 4.115 4.320 0.000 0.000 0.210 463 K C 1.988 178.527 176.600 -0.103 0.000 1.049 463 K CA 2.125 58.268 56.287 -0.240 0.000 0.929 463 K CB -0.069 32.382 32.500 -0.081 0.000 0.714 463 K HN 0.408 nan 8.250 nan 0.000 0.440 464 N N 0.868 119.553 118.700 -0.025 0.000 2.069 464 N HA -0.195 4.545 4.740 0.000 0.000 0.191 464 N C 1.729 177.224 175.510 -0.026 0.000 1.031 464 N CA 1.192 54.251 53.050 0.016 0.000 0.852 464 N CB -0.468 38.065 38.487 0.075 0.000 1.018 464 N HN 0.155 nan 8.380 nan 0.000 0.423 465 L N 1.168 122.339 121.223 -0.087 0.000 1.989 465 L HA -0.086 4.254 4.340 0.000 0.000 0.211 465 L C 2.018 178.851 176.870 -0.063 0.000 1.071 465 L CA 1.478 56.236 54.840 -0.138 0.000 0.749 465 L CB -0.629 41.328 42.059 -0.170 0.000 0.890 465 L HN 0.109 nan 8.230 nan 0.000 0.431 466 I N -0.456 120.056 120.570 -0.097 0.000 2.127 466 I HA -0.286 3.884 4.170 0.000 0.000 0.241 466 I C 2.481 178.583 176.117 -0.025 0.000 1.075 466 I CA 1.320 62.575 61.300 -0.076 0.000 1.334 466 I CB -0.458 37.438 38.000 -0.174 0.000 1.040 466 I HN 0.287 nan 8.210 nan 0.000 0.405 467 K N 0.773 121.162 120.400 -0.018 0.000 2.057 467 K HA -0.223 4.098 4.320 0.000 0.000 0.207 467 K C 2.045 178.673 176.600 0.046 0.000 1.049 467 K CA 1.306 57.599 56.287 0.011 0.000 0.931 467 K CB -0.440 32.105 32.500 0.075 0.000 0.714 467 K HN 0.297 nan 8.250 nan 0.000 0.440 468 K N -0.199 120.247 120.400 0.077 0.000 2.097 468 K HA -0.185 4.135 4.320 0.000 0.000 0.206 468 K C 2.028 178.731 176.600 0.172 0.000 1.049 468 K CA 1.268 57.619 56.287 0.107 0.000 0.933 468 K CB -0.223 32.333 32.500 0.095 0.000 0.717 468 K HN 0.173 nan 8.250 nan 0.000 0.442 469 W N 0.671 121.978 121.300 0.012 0.000 2.388 469 W HA -0.179 4.481 4.660 0.000 0.000 0.294 469 W C 1.525 178.130 176.519 0.143 0.000 1.212 469 W CA 1.074 58.488 57.345 0.115 0.000 1.271 469 W CB -0.155 29.338 29.460 0.054 0.000 1.126 469 W HN -0.179 nan 8.180 nan 0.000 0.535 470 V N 0.969 120.952 119.914 0.115 0.000 2.295 470 V HA -0.316 3.804 4.120 0.000 0.000 0.246 470 V C 2.079 178.093 176.094 -0.133 0.000 1.049 470 V CA 2.386 64.614 62.300 -0.121 0.000 1.024 470 V CB -0.962 30.652 31.823 -0.348 0.000 0.648 470 V HN 0.048 nan 8.190 nan 0.000 0.447 471 D N -1.120 119.260 120.400 -0.032 0.000 2.116 471 D HA -0.244 4.396 4.640 0.000 0.000 0.193 471 D C 1.684 177.984 176.300 -0.000 0.000 0.998 471 D CA 1.687 55.688 54.000 0.001 0.000 0.836 471 D CB -0.331 40.502 40.800 0.055 0.000 0.951 471 D HN 0.663 nan 8.370 nan 0.000 0.449 472 W N 1.465 122.661 121.300 -0.174 0.000 2.354 472 W HA -0.175 4.486 4.660 0.000 0.000 0.315 472 W C 2.204 178.572 176.519 -0.251 0.000 1.206 472 W CA 1.026 58.259 57.345 -0.187 0.000 1.290 472 W CB -0.719 28.630 29.460 -0.185 0.000 1.152 472 W HN -0.213 nan 8.180 nan 0.000 0.489 473 V N 1.499 121.071 119.914 -0.571 0.000 2.332 473 V HA -0.369 3.751 4.120 0.000 0.000 0.248 473 V C 2.413 178.230 176.094 -0.462 0.000 1.055 473 V CA 2.298 64.148 62.300 -0.750 0.000 1.038 473 V CB -0.682 30.576 31.823 -0.942 0.000 0.651 473 V HN 0.194 nan 8.190 nan 0.000 0.450 474 M N 0.201 119.621 119.600 -0.301 0.000 2.279 474 M HA -0.088 4.393 4.480 0.000 0.000 0.264 474 M C 2.327 178.518 176.300 -0.183 0.000 1.062 474 M CA 2.015 57.202 55.300 -0.189 0.000 1.099 474 M CB -1.305 31.228 32.600 -0.110 0.000 1.394 474 M HN 0.643 nan 8.290 nan 0.000 0.426 475 S N -0.787 114.790 115.700 -0.206 0.000 2.561 475 S HA 0.013 4.483 4.470 0.000 0.000 0.225 475 S C 1.367 175.839 174.600 -0.214 0.000 0.977 475 S CA 0.494 58.594 58.200 -0.166 0.000 0.926 475 S CB 0.009 63.147 63.200 -0.104 0.000 0.769 475 S HN 0.386 nan 8.310 nan 0.000 0.533 476 E N 0.435 120.442 120.200 -0.321 0.000 2.514 476 E HA 0.370 4.720 4.350 0.000 0.000 0.215 476 E C 0.014 176.492 176.600 -0.203 0.000 0.946 476 E CA -0.111 56.107 56.400 -0.304 0.000 1.038 476 E CB 0.457 29.786 29.700 -0.618 0.000 1.069 476 E HN 0.573 nan 8.360 nan 0.000 0.503 477 I N 2.772 123.215 120.570 -0.212 0.000 2.471 477 I HA 0.033 4.203 4.170 0.000 0.000 0.286 477 I C 0.322 176.349 176.117 -0.151 0.000 1.079 477 I CA 0.031 61.252 61.300 -0.131 0.000 1.398 477 I CB 0.485 38.422 38.000 -0.106 0.000 1.403 477 I HN -0.455 nan 8.210 nan 0.000 0.530 478 K N 8.262 128.567 120.400 -0.158 0.000 2.293 478 K HA 0.563 4.883 4.320 0.000 0.000 0.267 478 K C -0.862 175.461 176.600 -0.462 0.000 1.010 478 K CA -0.461 55.596 56.287 -0.382 0.000 0.875 478 K CB 1.773 33.999 32.500 -0.457 0.000 1.106 478 K HN 0.519 nan 8.250 nan 0.000 0.450 479 L N 3.910 124.828 121.223 -0.508 0.000 2.322 479 L HA 0.492 4.832 4.340 0.000 0.000 0.281 479 L C -0.576 175.989 176.870 -0.508 0.000 1.014 479 L CA -1.099 53.537 54.840 -0.340 0.000 0.815 479 L CB 0.670 42.645 42.059 -0.140 0.000 1.247 479 L HN 0.462 nan 8.230 nan 0.000 0.421 480 Y N 0.322 120.651 120.300 0.048 0.000 2.509 480 Y HA 0.222 4.772 4.550 0.000 0.000 0.341 480 Y C 0.831 176.745 175.900 0.024 0.000 1.038 480 Y CA -0.825 57.287 58.100 0.022 0.000 1.089 480 Y CB 1.542 40.013 38.460 0.017 0.000 1.241 480 Y HN 0.526 nan 8.280 nan 0.000 0.468 481 D N 0.334 120.837 120.400 0.171 0.000 2.219 481 D HA -0.153 4.487 4.640 0.000 0.000 0.205 481 D C 1.239 177.589 176.300 0.084 0.000 0.970 481 D CA 1.385 55.438 54.000 0.087 0.000 0.851 481 D CB -0.191 40.644 40.800 0.058 0.000 0.943 481 D HN 0.689 nan 8.370 nan 0.000 0.488 482 D N -0.561 119.905 120.400 0.111 0.000 2.352 482 D HA 0.039 4.679 4.640 0.000 0.000 0.232 482 D C 1.494 177.873 176.300 0.132 0.000 1.055 482 D CA 0.806 54.861 54.000 0.091 0.000 0.891 482 D CB -0.355 40.481 40.800 0.060 0.000 0.897 482 D HN 0.220 nan 8.370 nan 0.000 0.529 483 G N -0.013 108.876 108.800 0.149 0.000 2.179 483 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 483 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 483 G C 0.529 175.607 174.900 0.298 0.000 0.977 483 G CA 0.688 45.893 45.100 0.175 0.000 0.641 483 G HN 0.790 nan 8.290 nan 0.000 0.533 484 T N -1.096 113.647 114.554 0.316 0.000 2.824 484 T HA 0.790 5.140 4.350 0.000 0.000 0.277 484 T C 0.019 175.050 174.700 0.551 0.000 0.975 484 T CA -0.010 62.328 62.100 0.398 0.000 0.966 484 T CB 1.990 70.993 68.868 0.226 0.000 1.054 484 T HN 1.541 nan 8.240 nan 0.000 0.533 485 F N -1.897 118.251 119.950 0.329 0.000 2.662 485 F HA 0.865 5.392 4.527 0.000 0.000 0.312 485 F C -1.204 174.760 175.800 0.274 0.000 1.113 485 F CA -1.602 56.544 58.000 0.243 0.000 0.951 485 F CB 1.127 40.209 39.000 0.136 0.000 1.344 485 F HN 0.906 nan 8.300 nan 0.000 0.462 486 A N 2.295 125.168 122.820 0.088 0.000 2.486 486 A HA 0.841 5.161 4.320 0.000 0.000 0.300 486 A C -1.211 176.446 177.584 0.122 0.000 1.048 486 A CA -0.720 51.288 52.037 -0.048 0.000 0.696 486 A CB 1.462 20.501 19.000 0.064 0.000 1.278 486 A HN 1.254 nan 8.150 nan 0.000 0.405 487 I N -1.208 119.429 120.570 0.112 0.000 3.002 487 I HA 0.732 4.902 4.170 0.000 0.000 0.310 487 I C -2.925 173.118 176.117 -0.123 0.000 1.087 487 I CA -3.201 58.120 61.300 0.034 0.000 1.017 487 I CB 2.225 40.266 38.000 0.068 0.000 1.226 487 I HN 0.234 nan 8.210 nan 0.000 0.443 488 P HA 0.073 nan 4.420 nan 0.000 0.264 488 P C -0.256 176.765 177.300 -0.465 0.000 1.183 488 P CA 0.277 62.856 63.100 -0.868 0.000 0.763 488 P CB 1.049 31.896 31.700 -1.422 0.000 0.807 489 S N 1.015 116.569 115.700 -0.243 0.000 2.979 489 S HA 0.113 4.584 4.470 0.000 0.000 0.243 489 S C -0.047 174.646 174.600 0.154 0.000 1.036 489 S CA 0.247 58.473 58.200 0.043 0.000 0.846 489 S CB 0.128 63.362 63.200 0.057 0.000 0.806 489 S HN 0.411 nan 8.310 nan 0.000 0.568 490 D N 1.127 121.557 120.400 0.050 0.000 2.362 490 D HA 0.569 5.209 4.640 0.000 0.000 0.247 490 D C -1.308 175.033 176.300 0.068 0.000 1.050 490 D CA -0.275 53.802 54.000 0.129 0.000 0.839 490 D CB 1.838 42.700 40.800 0.104 0.000 1.283 490 D HN 0.102 nan 8.370 nan 0.000 0.477 491 L N 1.223 122.548 121.223 0.170 0.000 2.333 491 L HA 0.480 4.820 4.340 0.000 0.000 0.269 491 L C -0.019 176.873 176.870 0.036 0.000 1.010 491 L CA -0.666 54.211 54.840 0.061 0.000 0.818 491 L CB 1.657 43.828 42.059 0.186 0.000 1.306 491 L HN 0.358 nan 8.230 nan 0.000 0.430 492 E N 0.906 120.999 120.200 -0.179 0.000 2.272 492 E HA 0.478 4.829 4.350 0.000 0.000 0.269 492 E C -1.936 174.517 176.600 -0.246 0.000 0.877 492 E CA -0.532 55.840 56.400 -0.047 0.000 0.755 492 E CB 1.321 31.025 29.700 0.007 0.000 1.192 492 E HN 0.453 nan 8.360 nan 0.000 0.422 493 W N 2.072 123.461 121.300 0.148 0.000 2.761 493 W HA 0.526 5.186 4.660 0.000 0.000 0.340 493 W C -0.406 176.170 176.519 0.095 0.000 1.072 493 W CA -0.508 56.889 57.345 0.088 0.000 1.215 493 W CB 2.137 31.607 29.460 0.017 0.000 1.420 493 W HN 0.487 nan 8.180 nan 0.000 0.519 494 S N 1.505 117.401 115.700 0.326 0.000 2.579 494 S HA 0.908 5.378 4.470 0.000 0.000 0.272 494 S C -0.171 174.547 174.600 0.196 0.000 1.141 494 S CA -0.201 58.140 58.200 0.235 0.000 0.843 494 S CB 1.477 64.783 63.200 0.176 0.000 1.122 494 S HN 1.770 nan 8.310 nan 0.000 0.468 495 G N 1.090 109.976 108.800 0.142 0.000 2.725 495 G HA2 0.054 4.015 3.960 0.000 0.000 0.220 495 G HA3 0.054 4.015 3.960 0.000 0.000 0.220 495 G C -1.271 173.613 174.900 -0.026 0.000 1.357 495 G CA -0.426 44.710 45.100 0.060 0.000 0.866 495 G HN 0.987 nan 8.290 nan 0.000 0.548 496 Q N 0.170 119.867 119.800 -0.171 0.000 2.389 496 Q HA 0.515 4.856 4.340 0.000 0.000 0.277 496 Q C -2.493 173.210 176.000 -0.496 0.000 1.082 496 Q CA -1.729 53.814 55.803 -0.433 0.000 0.810 496 Q CB 3.350 31.973 28.738 -0.191 0.000 1.374 496 Q HN 0.562 nan 8.270 nan 0.000 0.422 497 P HA -0.016 nan 4.420 nan 0.000 0.272 497 P C -0.793 176.386 177.300 -0.202 0.000 1.230 497 P CA -0.143 62.620 63.100 -0.563 0.000 0.788 497 P CB 0.636 31.689 31.700 -1.078 0.000 0.949 498 D N 0.571 120.952 120.400 -0.031 0.000 2.423 498 D HA 0.025 4.665 4.640 0.000 0.000 0.238 498 D C 0.413 176.945 176.300 0.386 0.000 1.142 498 D CA 0.630 54.700 54.000 0.116 0.000 0.884 498 D CB 0.031 40.879 40.800 0.081 0.000 1.199 498 D HN 0.234 nan 8.370 nan 0.000 0.438 499 T N 1.871 116.624 114.554 0.332 0.000 2.905 499 T HA -0.122 4.228 4.350 0.000 0.000 0.299 499 T C 0.288 175.219 174.700 0.384 0.000 1.024 499 T CA 0.007 62.339 62.100 0.386 0.000 1.151 499 T CB 0.217 69.191 68.868 0.177 0.000 0.987 499 T HN 0.248 nan 8.240 nan 0.000 0.535 500 W N 3.136 124.460 121.300 0.041 0.000 2.251 500 W HA 0.120 4.780 4.660 0.000 0.000 0.327 500 W C 0.442 176.862 176.519 -0.164 0.000 1.361 500 W CA -0.269 57.035 57.345 -0.070 0.000 1.234 500 W CB 0.641 29.889 29.460 -0.354 0.000 1.212 500 W HN 0.582 nan 8.180 nan 0.000 0.557 501 T N 3.355 117.455 114.554 -0.757 0.000 3.043 501 T HA 0.202 4.552 4.350 0.000 0.000 0.272 501 T C 1.001 175.144 174.700 -0.929 0.000 0.990 501 T CA 0.648 62.338 62.100 -0.683 0.000 0.897 501 T CB 0.055 68.684 68.868 -0.398 0.000 1.111 501 T HN 0.852 nan 8.240 nan 0.000 0.529 502 G N 1.201 108.916 108.800 -1.808 0.000 2.213 502 G HA2 -0.185 3.775 3.960 0.000 0.000 0.226 502 G HA3 -0.185 3.775 3.960 0.000 0.000 0.226 502 G C 0.231 174.618 174.900 -0.855 0.000 0.992 502 G CA 0.174 44.651 45.100 -1.038 0.000 0.632 502 G HN 0.529 nan 8.290 nan 0.000 0.511 503 T N 0.339 114.263 114.554 -1.049 0.000 2.921 503 T HA 0.481 4.831 4.350 0.000 0.000 0.297 503 T C -0.932 173.699 174.700 -0.114 0.000 1.013 503 T CA -0.516 61.368 62.100 -0.360 0.000 0.990 503 T CB 2.078 70.839 68.868 -0.178 0.000 1.023 503 T HN 0.451 nan 8.240 nan 0.000 0.447 504 Y N 3.345 123.769 120.300 0.207 0.000 2.632 504 Y HA 0.146 4.696 4.550 0.000 0.000 0.329 504 Y C 1.817 177.803 175.900 0.142 0.000 1.174 504 Y CA 0.014 58.315 58.100 0.335 0.000 1.469 504 Y CB 0.618 39.249 38.460 0.286 0.000 1.242 504 Y HN 0.816 nan 8.280 nan 0.000 0.540 505 T N 1.008 115.416 114.554 -0.244 0.000 3.054 505 T HA 0.258 4.608 4.350 0.000 0.000 0.259 505 T C 1.437 175.796 174.700 -0.568 0.000 1.092 505 T CA 0.640 62.554 62.100 -0.310 0.000 1.121 505 T CB -0.218 68.551 68.868 -0.164 0.000 0.912 505 T HN 1.256 nan 8.240 nan 0.000 0.489 506 G N 1.659 109.674 108.800 -1.308 0.000 2.218 506 G HA2 -0.260 3.700 3.960 0.000 0.000 0.216 506 G HA3 -0.260 3.700 3.960 0.000 0.000 0.216 506 G C 0.246 174.832 174.900 -0.523 0.000 0.994 506 G CA -0.117 44.401 45.100 -0.970 0.000 0.637 506 G HN 0.529 nan 8.290 nan 0.000 0.505 507 N N -0.030 118.428 118.700 -0.403 0.000 2.698 507 N HA -0.151 4.589 4.740 0.000 0.000 0.258 507 N C -0.898 174.475 175.510 -0.228 0.000 0.978 507 N CA 1.341 54.260 53.050 -0.218 0.000 0.777 507 N CB -0.395 38.008 38.487 -0.141 0.000 0.907 507 N HN 0.506 nan 8.380 nan 0.000 0.543 508 P HA -0.106 nan 4.420 nan 0.000 0.225 508 P C 0.285 177.449 177.300 -0.226 0.000 1.148 508 P CA 1.185 64.182 63.100 -0.172 0.000 0.779 508 P CB 0.142 31.786 31.700 -0.094 0.000 0.780 509 N N -1.068 117.499 118.700 -0.221 0.000 2.236 509 N HA 0.102 4.842 4.740 0.000 0.000 0.196 509 N C -0.020 175.315 175.510 -0.290 0.000 1.114 509 N CA -0.342 52.601 53.050 -0.179 0.000 0.859 509 N CB 0.075 38.528 38.487 -0.058 0.000 0.982 509 N HN 0.041 nan 8.380 nan 0.000 0.493 510 L N 1.801 122.768 121.223 -0.426 0.000 2.265 510 L HA 0.311 4.651 4.340 0.000 0.000 0.289 510 L C -1.026 175.593 176.870 -0.418 0.000 1.033 510 L CA -0.477 54.167 54.840 -0.327 0.000 0.814 510 L CB 0.132 42.002 42.059 -0.314 0.000 1.203 510 L HN 0.130 nan 8.230 nan 0.000 0.423 511 H N 3.808 122.898 119.070 0.033 0.000 2.637 511 H HA 0.565 5.121 4.556 0.000 0.000 0.363 511 H C -1.067 174.214 175.328 -0.077 0.000 1.131 511 H CA -0.606 55.431 56.048 -0.019 0.000 1.183 511 H CB 2.526 32.275 29.762 -0.021 0.000 1.637 511 H HN 0.440 nan 8.280 nan 0.000 0.531 512 V N 3.608 123.423 119.914 -0.165 0.000 2.604 512 V HA 0.499 4.619 4.120 0.000 0.000 0.305 512 V C -0.702 175.242 176.094 -0.249 0.000 1.043 512 V CA -0.581 61.372 62.300 -0.579 0.000 0.888 512 V CB 1.891 32.980 31.823 -1.223 0.000 0.995 512 V HN 0.712 nan 8.190 nan 0.000 0.429 513 R N 4.000 124.353 120.500 -0.246 0.000 2.621 513 R HA 0.630 4.970 4.340 0.000 0.000 0.292 513 R C -1.407 174.832 176.300 -0.102 0.000 0.969 513 R CA -0.759 55.288 56.100 -0.089 0.000 0.887 513 R CB 2.422 32.687 30.300 -0.058 0.000 1.180 513 R HN 0.583 nan 8.270 nan 0.000 0.450 514 V N 2.785 122.657 119.914 -0.070 0.000 2.470 514 V HA 0.035 4.155 4.120 0.000 0.000 0.276 514 V C 1.416 177.411 176.094 -0.166 0.000 1.040 514 V CA 0.270 62.449 62.300 -0.202 0.000 1.008 514 V CB 1.095 32.646 31.823 -0.453 0.000 0.990 514 V HN 1.008 nan 8.190 nan 0.000 0.477 515 T N -0.017 114.456 114.554 -0.134 0.000 3.037 515 T HA 0.170 4.520 4.350 0.000 0.000 0.252 515 T C 0.635 175.315 174.700 -0.033 0.000 1.073 515 T CA 0.478 62.551 62.100 -0.046 0.000 1.091 515 T CB 0.241 69.110 68.868 0.002 0.000 0.935 515 T HN 0.779 nan 8.240 nan 0.000 0.488 516 S N -0.439 115.180 115.700 -0.135 0.000 2.570 516 S HA 0.727 5.198 4.470 0.000 0.000 0.270 516 S C -2.007 172.451 174.600 -0.236 0.000 1.149 516 S CA -1.018 57.152 58.200 -0.050 0.000 0.837 516 S CB 1.417 64.631 63.200 0.024 0.000 1.124 516 S HN 0.250 nan 8.310 nan 0.000 0.465 517 Y N -0.342 119.937 120.300 -0.035 0.000 2.576 517 Y HA 0.884 5.435 4.550 0.000 0.000 0.346 517 Y C 0.895 176.762 175.900 -0.055 0.000 1.018 517 Y CA 0.025 58.084 58.100 -0.069 0.000 1.050 517 Y CB 2.361 40.774 38.460 -0.077 0.000 1.280 517 Y HN 1.240 nan 8.280 nan 0.000 0.474 518 G N -0.630 108.221 108.800 0.085 0.000 2.635 518 G HA2 0.387 4.347 3.960 0.000 0.000 0.194 518 G HA3 0.387 4.347 3.960 0.000 0.000 0.194 518 G C -0.772 174.046 174.900 -0.137 0.000 1.198 518 G CA -0.270 44.825 45.100 -0.009 0.000 0.972 518 G HN 0.428 nan 8.290 nan 0.000 0.520 519 T N 0.679 115.131 114.554 -0.171 0.000 3.567 519 T HA 0.208 4.558 4.350 0.000 0.000 0.314 519 T C -0.610 173.937 174.700 -0.255 0.000 0.942 519 T CA -0.222 61.644 62.100 -0.390 0.000 0.997 519 T CB -0.252 68.382 68.868 -0.390 0.000 1.205 519 T HN 0.458 nan 8.240 nan 0.000 0.518 520 D N 1.926 122.280 120.400 -0.076 0.000 2.451 520 D HA 0.021 4.661 4.640 0.000 0.000 0.254 520 D C 1.309 177.507 176.300 -0.170 0.000 1.204 520 D CA 0.237 54.197 54.000 -0.068 0.000 0.896 520 D CB 0.708 41.582 40.800 0.123 0.000 1.136 520 D HN 0.393 nan 8.370 nan 0.000 0.499 521 L N 3.712 124.687 121.223 -0.413 0.000 2.109 521 L HA 0.002 4.342 4.340 0.000 0.000 0.207 521 L C 2.547 179.160 176.870 -0.428 0.000 1.086 521 L CA 0.998 55.630 54.840 -0.347 0.000 0.760 521 L CB -0.311 41.573 42.059 -0.292 0.000 0.910 521 L HN 0.512 nan 8.230 nan 0.000 0.437 522 G N -0.171 107.986 108.800 -1.072 0.000 2.418 522 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 522 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 522 G C 1.576 176.573 174.900 0.162 0.000 1.158 522 G CA 0.918 45.676 45.100 -0.569 0.000 0.771 522 G HN 0.172 nan 8.290 nan 0.000 0.545 523 V N 1.606 121.608 119.914 0.147 0.000 2.358 523 V HA -0.100 4.020 4.120 0.000 0.000 0.246 523 V C 3.332 179.566 176.094 0.232 0.000 1.047 523 V CA 1.887 64.339 62.300 0.253 0.000 1.035 523 V CB -0.953 30.990 31.823 0.199 0.000 0.658 523 V HN 0.471 nan 8.190 nan 0.000 0.452 524 A N 0.820 123.739 122.820 0.166 0.000 1.892 524 A HA -0.177 4.143 4.320 0.000 0.000 0.218 524 A C 2.441 180.085 177.584 0.101 0.000 1.188 524 A CA 2.282 54.396 52.037 0.129 0.000 0.631 524 A CB -1.391 17.654 19.000 0.075 0.000 0.822 524 A HN 0.534 nan 8.150 nan 0.000 0.447 525 G N -1.094 107.769 108.800 0.105 0.000 2.446 525 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 525 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 525 G C 1.970 176.989 174.900 0.199 0.000 1.168 525 G CA 1.608 46.783 45.100 0.126 0.000 0.771 525 G HN 0.601 nan 8.290 nan 0.000 0.551 526 S N -0.216 115.680 115.700 0.327 0.000 2.368 526 S HA -0.088 4.382 4.470 0.000 0.000 0.225 526 S C 2.341 177.140 174.600 0.332 0.000 1.030 526 S CA 1.375 59.820 58.200 0.407 0.000 0.999 526 S CB -0.299 63.286 63.200 0.643 0.000 0.844 526 S HN 0.198 nan 8.310 nan 0.000 0.459 527 L N 1.882 123.287 121.223 0.303 0.000 2.046 527 L HA 0.092 4.432 4.340 0.000 0.000 0.208 527 L C 2.515 179.522 176.870 0.228 0.000 1.077 527 L CA 2.088 57.111 54.840 0.304 0.000 0.747 527 L CB -1.316 40.919 42.059 0.292 0.000 0.896 527 L HN 0.343 nan 8.230 nan 0.000 0.432 528 A N -0.537 122.373 122.820 0.150 0.000 1.902 528 A HA -0.250 4.070 4.320 0.000 0.000 0.217 528 A C 2.227 179.882 177.584 0.118 0.000 1.181 528 A CA 1.738 53.829 52.037 0.089 0.000 0.623 528 A CB -0.904 18.109 19.000 0.022 0.000 0.818 528 A HN 0.612 nan 8.150 nan 0.000 0.443 529 N N 0.731 119.515 118.700 0.141 0.000 2.058 529 N HA -0.139 4.601 4.740 0.000 0.000 0.191 529 N C 1.876 177.503 175.510 0.196 0.000 1.037 529 N CA 2.136 55.271 53.050 0.142 0.000 0.848 529 N CB -0.586 37.980 38.487 0.132 0.000 1.021 529 N HN 0.341 nan 8.380 nan 0.000 0.422 530 A N 1.439 124.408 122.820 0.248 0.000 1.873 530 A HA -0.135 4.185 4.320 0.000 0.000 0.218 530 A C 2.632 180.405 177.584 0.316 0.000 1.193 530 A CA 1.534 53.737 52.037 0.278 0.000 0.629 530 A CB -1.056 18.158 19.000 0.356 0.000 0.826 530 A HN 0.397 nan 8.150 nan 0.000 0.447 531 L N -1.102 120.304 121.223 0.304 0.000 2.046 531 L HA -0.201 4.139 4.340 0.000 0.000 0.208 531 L C 3.111 180.155 176.870 0.290 0.000 1.077 531 L CA 1.116 56.137 54.840 0.301 0.000 0.747 531 L CB -0.513 41.661 42.059 0.192 0.000 0.896 531 L HN 0.476 nan 8.230 nan 0.000 0.432 532 A N -0.654 122.292 122.820 0.210 0.000 1.898 532 A HA -0.167 4.153 4.320 0.000 0.000 0.216 532 A C 2.342 180.091 177.584 0.275 0.000 1.181 532 A CA 2.091 54.269 52.037 0.235 0.000 0.620 532 A CB -0.847 18.272 19.000 0.198 0.000 0.819 532 A HN 0.361 nan 8.150 nan 0.000 0.442 533 T N -1.161 113.506 114.554 0.187 0.000 2.684 533 T HA -0.214 4.137 4.350 0.000 0.000 0.267 533 T C 1.789 176.557 174.700 0.113 0.000 1.036 533 T CA 1.814 63.952 62.100 0.063 0.000 1.148 533 T CB -0.499 68.420 68.868 0.085 0.000 0.863 533 T HN 0.608 nan 8.240 nan 0.000 0.436 534 Y N 2.339 122.720 120.300 0.134 0.000 2.128 534 Y HA -0.111 4.439 4.550 0.000 0.000 0.284 534 Y C 2.516 178.532 175.900 0.194 0.000 1.154 534 Y CA 1.047 59.258 58.100 0.186 0.000 1.149 534 Y CB -0.921 37.662 38.460 0.204 0.000 0.976 534 Y HN 0.170 nan 8.280 nan 0.000 0.505 535 A N 0.960 123.763 122.820 -0.029 0.000 1.883 535 A HA -0.176 4.144 4.320 0.000 0.000 0.217 535 A C 2.482 180.108 177.584 0.071 0.000 1.186 535 A CA 2.365 54.377 52.037 -0.041 0.000 0.624 535 A CB -1.660 17.418 19.000 0.130 0.000 0.822 535 A HN 0.707 nan 8.150 nan 0.000 0.444 536 A N -0.308 122.574 122.820 0.105 0.000 1.940 536 A HA 0.133 4.454 4.320 0.000 0.000 0.219 536 A C 2.490 179.950 177.584 -0.207 0.000 1.176 536 A CA 2.178 54.102 52.037 -0.189 0.000 0.631 536 A CB -0.967 17.622 19.000 -0.685 0.000 0.814 536 A HN 1.093 nan 8.150 nan 0.000 0.446 537 A N -0.173 122.565 122.820 -0.136 0.000 1.902 537 A HA -0.105 4.215 4.320 0.000 0.000 0.217 537 A C 2.464 180.055 177.584 0.010 0.000 1.181 537 A CA 2.548 54.568 52.037 -0.028 0.000 0.623 537 A CB -1.481 17.591 19.000 0.120 0.000 0.818 537 A HN 0.808 nan 8.150 nan 0.000 0.443 538 T N -1.934 112.579 114.554 -0.069 0.000 2.788 538 T HA -0.200 4.150 4.350 0.000 0.000 0.268 538 T C 1.714 176.404 174.700 -0.018 0.000 1.044 538 T CA 1.682 63.767 62.100 -0.024 0.000 1.139 538 T CB -0.346 68.425 68.868 -0.161 0.000 0.867 538 T HN 0.626 nan 8.240 nan 0.000 0.454 539 E N 0.958 121.126 120.200 -0.054 0.000 2.072 539 E HA -0.135 4.215 4.350 0.000 0.000 0.191 539 E C 2.542 179.050 176.600 -0.152 0.000 0.985 539 E CA 0.716 57.080 56.400 -0.060 0.000 0.801 539 E CB -0.107 29.573 29.700 -0.033 0.000 0.750 539 E HN 0.553 nan 8.360 nan 0.000 0.452 540 R N -0.794 119.544 120.500 -0.270 0.000 2.066 540 R HA -0.134 4.206 4.340 0.000 0.000 0.232 540 R C 1.473 177.391 176.300 -0.636 0.000 1.131 540 R CA 2.008 57.773 56.100 -0.559 0.000 0.955 540 R CB -0.167 29.628 30.300 -0.841 0.000 0.851 540 R HN 0.261 nan 8.270 nan 0.000 0.432 541 W N -0.054 121.161 121.300 -0.142 0.000 2.907 541 W HA 0.277 4.937 4.660 0.000 0.000 0.271 541 W C 0.414 176.913 176.519 -0.033 0.000 1.253 541 W CA -0.584 56.686 57.345 -0.124 0.000 1.501 541 W CB 0.604 29.910 29.460 -0.257 0.000 1.047 541 W HN 0.047 nan 8.180 nan 0.000 0.610 542 E N -0.780 119.519 120.200 0.165 0.000 2.390 542 E HA 0.370 4.720 4.350 0.000 0.000 0.249 542 E C 1.358 178.006 176.600 0.080 0.000 0.981 542 E CA -0.218 56.272 56.400 0.149 0.000 0.860 542 E CB 0.794 30.594 29.700 0.167 0.000 1.278 542 E HN -0.077 nan 8.360 nan 0.000 0.416 543 G N 0.140 108.987 108.800 0.078 0.000 2.443 543 G HA2 -0.133 3.827 3.960 0.000 0.000 0.219 543 G HA3 -0.133 3.827 3.960 0.000 0.000 0.219 543 G C 0.315 175.239 174.900 0.039 0.000 1.131 543 G CA 0.801 45.933 45.100 0.054 0.000 0.775 543 G HN 0.167 nan 8.290 nan 0.000 0.547 544 K N -0.854 119.572 120.400 0.043 0.000 2.542 544 K HA 0.408 4.728 4.320 0.000 0.000 0.259 544 K C -1.471 175.149 176.600 0.033 0.000 0.932 544 K CA -0.999 55.310 56.287 0.037 0.000 0.820 544 K CB 2.148 34.675 32.500 0.044 0.000 1.345 544 K HN 0.015 nan 8.250 nan 0.000 0.432 545 L N 3.064 124.307 121.223 0.034 0.000 2.499 545 L HA 0.124 4.465 4.340 0.000 0.000 0.273 545 L C -0.219 176.670 176.870 0.031 0.000 1.195 545 L CA 0.515 55.380 54.840 0.042 0.000 0.882 545 L CB 0.447 42.556 42.059 0.083 0.000 1.133 545 L HN 0.525 nan 8.230 nan 0.000 0.483 546 D N 3.610 124.012 120.400 0.004 0.000 2.383 546 D HA -0.002 4.638 4.640 0.000 0.000 0.245 546 D C 0.848 177.158 176.300 0.016 0.000 1.263 546 D CA 0.238 54.254 54.000 0.027 0.000 0.936 546 D CB 0.981 41.803 40.800 0.036 0.000 1.053 546 D HN 0.798 nan 8.370 nan 0.000 0.507 547 T N 3.103 117.663 114.554 0.010 0.000 2.746 547 T HA -0.129 4.221 4.350 0.000 0.000 0.267 547 T C 1.775 176.453 174.700 -0.037 0.000 1.039 547 T CA 1.098 63.181 62.100 -0.028 0.000 1.142 547 T CB 0.252 69.115 68.868 -0.009 0.000 0.866 547 T HN 0.402 nan 8.240 nan 0.000 0.444 548 K N 0.779 121.182 120.400 0.005 0.000 2.103 548 K HA 0.109 4.429 4.320 0.000 0.000 0.204 548 K C 2.545 179.152 176.600 0.012 0.000 1.052 548 K CA 1.021 57.310 56.287 0.004 0.000 0.945 548 K CB -0.142 32.371 32.500 0.022 0.000 0.722 548 K HN 0.240 nan 8.250 nan 0.000 0.443 549 A N 1.698 124.561 122.820 0.072 0.000 1.929 549 A HA -0.146 4.174 4.320 0.000 0.000 0.216 549 A C 2.105 179.695 177.584 0.012 0.000 1.176 549 A CA 1.088 53.199 52.037 0.122 0.000 0.628 549 A CB -0.395 18.825 19.000 0.367 0.000 0.816 549 A HN 0.187 nan 8.150 nan 0.000 0.444 550 R N -0.256 120.179 120.500 -0.108 0.000 2.091 550 R HA -0.178 4.162 4.340 0.000 0.000 0.238 550 R C 1.106 177.245 176.300 -0.269 0.000 1.136 550 R CA 2.007 57.894 56.100 -0.355 0.000 0.959 550 R CB -0.331 29.573 30.300 -0.660 0.000 0.856 550 R HN 0.422 nan 8.270 nan 0.000 0.437 551 D N 0.149 120.448 120.400 -0.167 0.000 2.194 551 D HA -0.127 4.513 4.640 0.000 0.000 0.204 551 D C 1.738 177.988 176.300 -0.084 0.000 0.964 551 D CA 0.883 54.812 54.000 -0.118 0.000 0.846 551 D CB -0.140 40.610 40.800 -0.083 0.000 0.962 551 D HN 0.184 nan 8.370 nan 0.000 0.490 552 M N 1.236 120.797 119.600 -0.064 0.000 2.159 552 M HA -0.019 4.461 4.480 0.000 0.000 0.263 552 M C 1.888 178.155 176.300 -0.054 0.000 1.063 552 M CA 1.202 56.471 55.300 -0.051 0.000 1.110 552 M CB -0.411 32.169 32.600 -0.034 0.000 1.374 552 M HN -0.040 nan 8.290 nan 0.000 0.411 553 A N -0.076 122.712 122.820 -0.054 0.000 1.908 553 A HA -0.031 4.289 4.320 0.000 0.000 0.218 553 A C 2.401 179.920 177.584 -0.109 0.000 1.181 553 A CA 2.308 54.310 52.037 -0.058 0.000 0.627 553 A CB -1.513 17.459 19.000 -0.046 0.000 0.818 553 A HN 0.662 nan 8.150 nan 0.000 0.445 554 A N -0.636 122.102 122.820 -0.137 0.000 1.902 554 A HA -0.148 4.172 4.320 0.000 0.000 0.217 554 A C 1.960 179.533 177.584 -0.019 0.000 1.181 554 A CA 1.670 53.637 52.037 -0.117 0.000 0.623 554 A CB -0.459 18.507 19.000 -0.057 0.000 0.818 554 A HN 0.475 nan 8.150 nan 0.000 0.443 555 E N 0.055 120.232 120.200 -0.038 0.000 2.085 555 E HA -0.184 4.167 4.350 0.000 0.000 0.194 555 E C 2.065 178.624 176.600 -0.068 0.000 0.994 555 E CA 1.191 57.571 56.400 -0.034 0.000 0.801 555 E CB -0.457 29.215 29.700 -0.048 0.000 0.743 555 E HN 0.678 nan 8.360 nan 0.000 0.453 556 L N 0.259 121.408 121.223 -0.122 0.000 2.056 556 L HA -0.164 4.176 4.340 0.000 0.000 0.207 556 L C 2.600 179.362 176.870 -0.181 0.000 1.078 556 L CA 0.705 55.390 54.840 -0.258 0.000 0.749 556 L CB -0.474 41.468 42.059 -0.195 0.000 0.901 556 L HN -0.020 nan 8.230 nan 0.000 0.433 557 V N 0.204 120.093 119.914 -0.042 0.000 2.261 557 V HA -0.292 3.828 4.120 0.000 0.000 0.246 557 V C 2.247 178.504 176.094 0.271 0.000 1.047 557 V CA 2.008 64.358 62.300 0.083 0.000 1.015 557 V CB -0.734 31.104 31.823 0.025 0.000 0.642 557 V HN 0.489 nan 8.190 nan 0.000 0.446 558 N N 0.378 119.269 118.700 0.318 0.000 2.104 558 N HA -0.172 4.569 4.740 0.000 0.000 0.190 558 N C 1.944 177.739 175.510 0.474 0.000 1.024 558 N CA 1.558 54.907 53.050 0.498 0.000 0.853 558 N CB -0.396 38.224 38.487 0.222 0.000 1.008 558 N HN 0.504 nan 8.380 nan 0.000 0.424 559 R N 0.462 121.107 120.500 0.242 0.000 2.090 559 R HA 0.144 4.485 4.340 0.000 0.000 0.228 559 R C 2.248 178.782 176.300 0.389 0.000 1.110 559 R CA 1.051 57.324 56.100 0.287 0.000 0.973 559 R CB -0.289 30.091 30.300 0.134 0.000 0.869 559 R HN 0.182 nan 8.270 nan 0.000 0.440 560 A N 1.349 124.270 122.820 0.169 0.000 1.877 560 A HA -0.204 4.117 4.320 0.000 0.000 0.216 560 A C 1.899 179.790 177.584 0.511 0.000 1.186 560 A CA 1.123 53.374 52.037 0.358 0.000 0.620 560 A CB -0.961 18.117 19.000 0.130 0.000 0.822 560 A HN 0.619 nan 8.150 nan 0.000 0.443 561 W N -0.740 120.736 121.300 0.294 0.000 2.379 561 W HA -0.222 4.438 4.660 0.000 0.000 0.307 561 W C 2.054 178.778 176.519 0.341 0.000 1.200 561 W CA 1.971 59.486 57.345 0.283 0.000 1.297 561 W CB -0.521 29.053 29.460 0.190 0.000 1.140 561 W HN 0.494 nan 8.180 nan 0.000 0.507 562 Y N 2.395 122.920 120.300 0.375 0.000 2.114 562 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 562 Y C 2.319 178.250 175.900 0.052 0.000 1.143 562 Y CA 2.547 60.778 58.100 0.218 0.000 1.135 562 Y CB -1.035 37.613 38.460 0.314 0.000 0.980 562 Y HN -0.099 nan 8.280 nan 0.000 0.499 563 N N -1.057 117.634 118.700 -0.015 0.000 2.446 563 N HA -0.067 4.673 4.740 0.000 0.000 0.179 563 N C 0.182 175.263 175.510 -0.714 0.000 1.054 563 N CA 0.886 53.690 53.050 -0.409 0.000 0.905 563 N CB -0.047 38.287 38.487 -0.255 0.000 0.973 563 N HN 0.342 nan 8.380 nan 0.000 0.448 564 F N -0.445 119.484 119.950 -0.035 0.000 2.764 564 F HA 0.215 4.742 4.527 0.000 0.000 0.310 564 F C 0.110 175.821 175.800 -0.148 0.000 1.124 564 F CA -0.963 57.000 58.000 -0.063 0.000 1.252 564 F CB -0.355 38.649 39.000 0.005 0.000 1.010 564 F HN -0.119 nan 8.300 nan 0.000 0.518 565 Y N 1.300 121.417 120.300 -0.305 0.000 2.610 565 Y HA 0.125 4.675 4.550 0.000 0.000 0.332 565 Y C 0.248 175.987 175.900 -0.269 0.000 1.201 565 Y CA -0.639 57.178 58.100 -0.472 0.000 1.465 565 Y CB 0.523 38.613 38.460 -0.617 0.000 1.283 565 Y HN 0.168 nan 8.280 nan 0.000 0.563 566 C N 6.611 125.405 119.300 -0.843 0.000 2.239 566 C HA 0.332 4.792 4.460 0.000 0.000 0.325 566 C C 1.399 176.048 174.990 -0.568 0.000 1.231 566 C CA -0.182 58.549 59.018 -0.477 0.000 1.652 566 C CB -0.729 26.883 27.740 -0.213 0.000 2.284 566 C HN 1.063 nan 8.230 nan 0.000 0.499 567 S N 2.928 118.514 115.700 -0.189 0.000 2.399 567 S HA -0.082 4.388 4.470 0.000 0.000 0.231 567 S C 2.030 176.611 174.600 -0.033 0.000 1.022 567 S CA 1.928 60.121 58.200 -0.011 0.000 0.983 567 S CB -0.068 63.156 63.200 0.041 0.000 0.803 567 S HN 1.006 nan 8.310 nan 0.000 0.480 568 E N 0.346 120.510 120.200 -0.061 0.000 2.472 568 E HA 0.245 4.595 4.350 0.000 0.000 0.200 568 E C 1.312 177.876 176.600 -0.059 0.000 1.046 568 E CA 0.815 57.188 56.400 -0.046 0.000 0.871 568 E CB -1.274 28.399 29.700 -0.044 0.000 0.806 568 E HN 0.764 nan 8.360 nan 0.000 0.533 569 G N 0.049 108.782 108.800 -0.111 0.000 2.142 569 G HA2 -0.272 3.688 3.960 0.000 0.000 0.225 569 G HA3 -0.272 3.688 3.960 0.000 0.000 0.225 569 G C 0.914 175.782 174.900 -0.054 0.000 1.015 569 G CA 0.500 45.551 45.100 -0.082 0.000 0.716 569 G HN 0.489 nan 8.290 nan 0.000 0.508 570 K N -0.221 120.137 120.400 -0.070 0.000 2.404 570 K HA 0.437 4.757 4.320 0.000 0.000 0.194 570 K C 1.758 178.452 176.600 0.157 0.000 1.023 570 K CA 0.668 56.961 56.287 0.009 0.000 1.094 570 K CB 0.533 32.913 32.500 -0.201 0.000 0.841 570 K HN 1.240 nan 8.250 nan 0.000 0.523 571 G N 0.955 109.761 108.800 0.011 0.000 2.713 571 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 571 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 571 G C -0.678 174.144 174.900 -0.130 0.000 1.265 571 G CA -0.335 44.789 45.100 0.040 0.000 1.204 571 G HN 0.132 nan 8.290 nan 0.000 0.545 572 V N -1.508 118.418 119.914 0.020 0.000 2.815 572 V HA 0.935 5.055 4.120 0.000 0.000 0.314 572 V C -0.021 176.037 176.094 -0.060 0.000 1.064 572 V CA -0.453 61.825 62.300 -0.037 0.000 0.952 572 V CB 1.504 33.372 31.823 0.074 0.000 1.020 572 V HN 1.806 nan 8.190 nan 0.000 0.439 573 V N 1.587 121.438 119.914 -0.106 0.000 2.925 573 V HA 0.642 4.762 4.120 0.000 0.000 0.311 573 V C 0.092 176.157 176.094 -0.049 0.000 1.104 573 V CA 0.079 62.200 62.300 -0.298 0.000 0.954 573 V CB 2.590 34.112 31.823 -0.501 0.000 1.022 573 V HN 1.215 nan 8.190 nan 0.000 0.427 574 T N 4.074 118.554 114.554 -0.122 0.000 2.899 574 T HA 0.441 4.791 4.350 0.000 0.000 0.284 574 T C -0.747 173.951 174.700 -0.004 0.000 1.004 574 T CA -0.143 61.924 62.100 -0.055 0.000 1.043 574 T CB 0.915 69.765 68.868 -0.030 0.000 1.013 574 T HN 0.799 nan 8.240 nan 0.000 0.518 575 E N 1.879 122.116 120.200 0.062 0.000 2.255 575 E HA 0.324 4.674 4.350 0.000 0.000 0.256 575 E C -1.240 175.362 176.600 0.003 0.000 0.887 575 E CA -0.576 55.837 56.400 0.022 0.000 0.782 575 E CB 0.651 30.392 29.700 0.069 0.000 1.214 575 E HN 0.707 nan 8.360 nan 0.000 0.417 576 E N 2.819 122.991 120.200 -0.047 0.000 2.263 576 E HA 0.630 4.981 4.350 0.000 0.000 0.268 576 E C -1.173 175.387 176.600 -0.067 0.000 0.884 576 E CA -1.227 55.154 56.400 -0.031 0.000 0.766 576 E CB 1.676 31.386 29.700 0.018 0.000 1.196 576 E HN 0.362 nan 8.360 nan 0.000 0.416 577 A N 3.636 126.426 122.820 -0.050 0.000 2.440 577 A HA 0.378 4.699 4.320 0.000 0.000 0.251 577 A C -0.123 177.401 177.584 -0.100 0.000 1.089 577 A CA -0.617 51.381 52.037 -0.066 0.000 0.779 577 A CB 0.222 19.200 19.000 -0.037 0.000 1.022 577 A HN 0.519 nan 8.150 nan 0.000 0.492 578 R N 2.617 123.014 120.500 -0.172 0.000 2.651 578 R HA 0.348 4.688 4.340 0.000 0.000 0.282 578 R C 1.018 177.220 176.300 -0.162 0.000 1.565 578 R CA 0.246 56.163 56.100 -0.306 0.000 1.661 578 R CB 0.275 30.044 30.300 -0.885 0.000 1.189 578 R HN 0.844 nan 8.270 nan 0.000 0.621 579 A N 1.610 124.399 122.820 -0.051 0.000 1.948 579 A HA -0.227 4.093 4.320 0.000 0.000 0.220 579 A C 1.590 179.193 177.584 0.031 0.000 1.177 579 A CA 1.986 54.026 52.037 0.006 0.000 0.636 579 A CB -0.161 18.847 19.000 0.012 0.000 0.815 579 A HN 0.584 nan 8.150 nan 0.000 0.449 580 D N -1.591 118.837 120.400 0.047 0.000 2.309 580 D HA -0.201 4.439 4.640 0.000 0.000 0.212 580 D C 1.194 177.530 176.300 0.060 0.000 0.968 580 D CA 0.838 54.875 54.000 0.061 0.000 0.882 580 D CB -0.590 40.352 40.800 0.236 0.000 0.918 580 D HN 0.497 nan 8.370 nan 0.000 0.503 581 Y N 1.803 122.117 120.300 0.023 0.000 2.571 581 Y HA -0.046 4.505 4.550 0.000 0.000 0.294 581 Y C 2.284 178.163 175.900 -0.035 0.000 1.141 581 Y CA 0.151 58.315 58.100 0.106 0.000 1.308 581 Y CB -0.497 38.100 38.460 0.228 0.000 1.002 581 Y HN 0.241 nan 8.280 nan 0.000 0.551 582 K N 0.569 121.007 120.400 0.063 0.000 2.211 582 K HA -0.183 4.137 4.320 0.000 0.000 0.204 582 K C 1.608 178.034 176.600 -0.290 0.000 1.047 582 K CA 1.405 57.692 56.287 -0.000 0.000 0.935 582 K CB -0.341 32.225 32.500 0.111 0.000 0.728 582 K HN 0.209 nan 8.250 nan 0.000 0.452 583 R N -0.357 119.775 120.500 -0.613 0.000 2.280 583 R HA 0.010 4.350 4.340 0.000 0.000 0.207 583 R C 1.723 177.492 176.300 -0.885 0.000 1.043 583 R CA 0.726 56.264 56.100 -0.937 0.000 1.006 583 R CB -0.335 28.917 30.300 -1.747 0.000 0.885 583 R HN 0.172 nan 8.270 nan 0.000 0.467 584 F N -0.345 119.046 119.950 -0.931 0.000 2.154 584 F HA -0.227 4.300 4.527 0.000 0.000 0.301 584 F C 1.305 176.664 175.800 -0.734 0.000 1.087 584 F CA 1.689 59.222 58.000 -0.778 0.000 1.274 584 F CB 0.066 38.312 39.000 -1.257 0.000 1.009 584 F HN -0.034 nan 8.300 nan 0.000 0.485 585 F N -2.228 117.678 119.950 -0.073 0.000 2.619 585 F HA 0.128 4.655 4.527 0.000 0.000 0.281 585 F C 1.993 177.700 175.800 -0.154 0.000 1.065 585 F CA -0.012 57.892 58.000 -0.159 0.000 1.304 585 F CB -0.378 38.265 39.000 -0.595 0.000 1.059 585 F HN -0.276 nan 8.300 nan 0.000 0.648 586 E N 0.162 120.305 120.200 -0.095 0.000 2.299 586 E HA -0.093 4.257 4.350 0.000 0.000 0.193 586 E C 0.655 177.259 176.600 0.007 0.000 0.998 586 E CA 0.180 56.574 56.400 -0.010 0.000 0.851 586 E CB 0.124 29.810 29.700 -0.024 0.000 0.795 586 E HN 0.091 nan 8.360 nan 0.000 0.492 587 Q N 1.923 121.705 119.800 -0.030 0.000 2.314 587 Q HA 0.055 4.395 4.340 0.000 0.000 0.257 587 Q C -0.961 175.113 176.000 0.122 0.000 0.975 587 Q CA 0.063 55.880 55.803 0.022 0.000 0.933 587 Q CB 0.870 29.591 28.738 -0.028 0.000 1.195 587 Q HN -0.060 nan 8.270 nan 0.000 0.426 588 E N 3.139 123.412 120.200 0.122 0.000 2.223 588 E HA 0.227 4.577 4.350 0.000 0.000 0.282 588 E C -1.008 175.693 176.600 0.167 0.000 1.046 588 E CA -0.501 55.982 56.400 0.138 0.000 0.857 588 E CB 0.816 30.590 29.700 0.122 0.000 1.055 588 E HN 0.467 nan 8.360 nan 0.000 0.409 589 V N 6.261 126.273 119.914 0.164 0.000 2.408 589 V HA -0.011 4.109 4.120 0.000 0.000 0.267 589 V C -0.080 176.101 176.094 0.145 0.000 1.047 589 V CA -0.402 61.999 62.300 0.169 0.000 0.937 589 V CB -0.111 31.793 31.823 0.135 0.000 0.999 589 V HN 0.595 nan 8.190 nan 0.000 0.472 590 Y N 5.367 125.711 120.300 0.074 0.000 2.632 590 Y HA 0.416 4.966 4.550 0.000 0.000 0.329 590 Y C 0.099 176.003 175.900 0.007 0.000 1.174 590 Y CA 0.297 58.426 58.100 0.049 0.000 1.469 590 Y CB 0.528 39.023 38.460 0.059 0.000 1.242 590 Y HN 0.585 nan 8.280 nan 0.000 0.540 591 V N 7.599 127.060 119.914 -0.754 0.000 2.638 591 V HA 0.558 4.678 4.120 0.000 0.000 0.306 591 V C -2.750 172.800 176.094 -0.907 0.000 1.052 591 V CA -2.819 59.100 62.300 -0.635 0.000 0.885 591 V CB 1.908 33.580 31.823 -0.252 0.000 0.999 591 V HN 0.576 nan 8.190 nan 0.000 0.424 592 P HA 0.371 nan 4.420 nan 0.000 0.268 592 P C 0.170 177.408 177.300 -0.105 0.000 1.205 592 P CA 0.373 63.312 63.100 -0.269 0.000 0.771 592 P CB 0.865 32.571 31.700 0.010 0.000 0.858 593 A N 2.960 125.754 122.820 -0.043 0.000 2.566 593 A HA 0.373 4.693 4.320 0.000 0.000 0.245 593 A C 1.619 179.223 177.584 0.034 0.000 1.056 593 A CA 0.924 52.960 52.037 -0.002 0.000 0.757 593 A CB -1.526 17.486 19.000 0.019 0.000 0.979 593 A HN 0.893 nan 8.150 nan 0.000 0.508 594 G N 1.202 110.016 108.800 0.024 0.000 2.253 594 G HA2 -0.295 3.665 3.960 0.000 0.000 0.251 594 G HA3 -0.295 3.665 3.960 0.000 0.000 0.251 594 G C 0.174 175.081 174.900 0.013 0.000 0.998 594 G CA 0.381 45.488 45.100 0.011 0.000 0.621 594 G HN 1.174 nan 8.290 nan 0.000 0.524 595 W N 2.619 123.854 121.300 -0.109 0.000 2.238 595 W HA 0.566 5.226 4.660 0.000 0.000 0.321 595 W C 0.739 177.180 176.519 -0.131 0.000 1.293 595 W CA 0.637 57.902 57.345 -0.133 0.000 1.204 595 W CB 1.085 30.451 29.460 -0.157 0.000 1.167 595 W HN 0.720 nan 8.180 nan 0.000 0.553 596 S N 4.350 119.715 115.700 -0.558 0.000 2.541 596 S HA 0.942 5.412 4.470 0.000 0.000 0.271 596 S C -0.623 173.440 174.600 -0.894 0.000 1.133 596 S CA -0.395 57.556 58.200 -0.416 0.000 0.876 596 S CB 1.731 64.772 63.200 -0.265 0.000 1.105 596 S HN 1.098 nan 8.310 nan 0.000 0.470 597 G N 0.496 109.057 108.800 -0.397 0.000 2.495 597 G HA2 0.679 4.639 3.960 0.000 0.000 0.294 597 G HA3 0.679 4.639 3.960 0.000 0.000 0.294 597 G C -1.003 173.871 174.900 -0.043 0.000 1.397 597 G CA -0.044 44.855 45.100 -0.335 0.000 0.790 597 G HN 1.550 nan 8.290 nan 0.000 0.486 598 T N -1.613 112.937 114.554 -0.007 0.000 2.876 598 T HA 0.661 5.011 4.350 0.000 0.000 0.289 598 T C 0.141 174.949 174.700 0.180 0.000 1.014 598 T CA -0.865 61.280 62.100 0.074 0.000 0.986 598 T CB 1.654 70.553 68.868 0.051 0.000 1.021 598 T HN 0.453 nan 8.240 nan 0.000 0.458 599 M N 2.769 122.456 119.600 0.144 0.000 2.242 599 M HA 0.266 4.746 4.480 0.000 0.000 0.344 599 M C -1.591 174.688 176.300 -0.034 0.000 1.140 599 M CA -2.660 52.697 55.300 0.095 0.000 1.160 599 M CB 0.461 33.044 32.600 -0.027 0.000 1.491 599 M HN 0.442 nan 8.290 nan 0.000 0.459 600 P HA -0.183 nan 4.420 nan 0.000 0.219 600 P C 0.634 177.815 177.300 -0.198 0.000 1.145 600 P CA 1.417 64.242 63.100 -0.459 0.000 0.813 600 P CB -0.097 31.001 31.700 -1.002 0.000 0.771 601 N N -1.708 116.852 118.700 -0.233 0.000 2.268 601 N HA 0.089 4.829 4.740 0.000 0.000 0.204 601 N C 1.112 176.555 175.510 -0.112 0.000 1.124 601 N CA 0.515 53.451 53.050 -0.191 0.000 0.838 601 N CB -0.642 37.669 38.487 -0.294 0.000 0.994 601 N HN 0.155 nan 8.380 nan 0.000 0.489 602 G N 0.017 108.784 108.800 -0.055 0.000 2.176 602 G HA2 -0.244 3.716 3.960 0.000 0.000 0.253 602 G HA3 -0.244 3.716 3.960 0.000 0.000 0.253 602 G C -0.641 174.242 174.900 -0.029 0.000 0.979 602 G CA 0.109 45.194 45.100 -0.025 0.000 0.641 602 G HN 0.463 nan 8.290 nan 0.000 0.530 603 D N 1.203 121.574 120.400 -0.048 0.000 2.458 603 D HA 0.269 4.909 4.640 0.000 0.000 0.243 603 D C 0.767 177.075 176.300 0.013 0.000 1.146 603 D CA 0.473 54.455 54.000 -0.030 0.000 0.877 603 D CB 0.698 41.464 40.800 -0.058 0.000 1.176 603 D HN 0.321 nan 8.370 nan 0.000 0.461 604 K N 2.380 122.790 120.400 0.016 0.000 2.349 604 K HA 0.254 4.575 4.320 0.000 0.000 0.288 604 K C 0.036 176.675 176.600 0.066 0.000 1.058 604 K CA -0.263 56.042 56.287 0.031 0.000 0.953 604 K CB 0.661 33.170 32.500 0.014 0.000 0.997 604 K HN 0.301 nan 8.250 nan 0.000 0.477 605 I N 5.179 125.819 120.570 0.116 0.000 2.291 605 I HA 0.061 4.231 4.170 0.000 0.000 0.292 605 I C 0.109 176.346 176.117 0.199 0.000 1.064 605 I CA -0.054 61.357 61.300 0.185 0.000 1.269 605 I CB 0.206 38.406 38.000 0.334 0.000 1.418 605 I HN 0.581 nan 8.210 nan 0.000 0.485 606 Q N 5.825 125.696 119.800 0.117 0.000 2.522 606 Q HA 0.550 4.891 4.340 0.000 0.000 0.285 606 Q C -3.043 172.970 176.000 0.022 0.000 0.982 606 Q CA -2.223 53.630 55.803 0.084 0.000 0.805 606 Q CB 1.548 30.312 28.738 0.044 0.000 1.457 606 Q HN 0.111 nan 8.270 nan 0.000 0.394 607 P HA 0.051 nan 4.420 nan 0.000 0.266 607 P C 0.660 177.953 177.300 -0.012 0.000 1.193 607 P CA 2.061 65.121 63.100 -0.066 0.000 0.770 607 P CB 0.275 31.929 31.700 -0.076 0.000 0.836 608 G N 1.768 110.570 108.800 0.002 0.000 2.195 608 G HA2 -0.251 3.709 3.960 0.000 0.000 0.246 608 G HA3 -0.251 3.709 3.960 0.000 0.000 0.246 608 G C 0.294 175.230 174.900 0.060 0.000 0.984 608 G CA 0.131 45.255 45.100 0.039 0.000 0.633 608 G HN 0.715 nan 8.290 nan 0.000 0.525 609 I N -0.909 119.694 120.570 0.054 0.000 2.752 609 I HA 0.566 4.736 4.170 0.000 0.000 0.287 609 I C 0.320 176.499 176.117 0.104 0.000 1.188 609 I CA -0.381 60.964 61.300 0.075 0.000 1.427 609 I CB 0.527 38.565 38.000 0.063 0.000 1.365 609 I HN -0.209 nan 8.210 nan 0.000 0.585 610 K N 4.366 124.843 120.400 0.129 0.000 2.106 610 K HA 0.255 4.575 4.320 0.000 0.000 0.246 610 K C 0.282 176.998 176.600 0.194 0.000 0.987 610 K CA -0.823 55.566 56.287 0.171 0.000 0.904 610 K CB 0.830 33.446 32.500 0.194 0.000 1.071 610 K HN 0.740 nan 8.250 nan 0.000 0.453 611 F N 1.265 121.266 119.950 0.085 0.000 2.085 611 F HA -0.311 4.216 4.527 0.000 0.000 0.299 611 F C 1.820 177.683 175.800 0.105 0.000 1.096 611 F CA 1.708 59.763 58.000 0.091 0.000 1.227 611 F CB -0.157 38.899 39.000 0.093 0.000 0.983 611 F HN 0.526 nan 8.300 nan 0.000 0.482 612 I N 0.882 121.626 120.570 0.289 0.000 2.361 612 I HA -0.270 3.900 4.170 0.000 0.000 0.251 612 I C 1.877 178.070 176.117 0.127 0.000 1.133 612 I CA 1.664 63.131 61.300 0.277 0.000 1.413 612 I CB -0.867 37.384 38.000 0.419 0.000 1.073 612 I HN 0.146 nan 8.210 nan 0.000 0.424 613 D N 0.531 120.994 120.400 0.104 0.000 2.218 613 D HA -0.109 4.531 4.640 0.000 0.000 0.204 613 D C 1.941 178.243 176.300 0.003 0.000 0.976 613 D CA 1.839 55.878 54.000 0.065 0.000 0.853 613 D CB -0.100 40.749 40.800 0.083 0.000 0.939 613 D HN 0.616 nan 8.370 nan 0.000 0.481 614 I N -2.776 117.770 120.570 -0.040 0.000 4.018 614 I HA 0.247 4.418 4.170 0.000 0.000 0.337 614 I C 0.473 176.501 176.117 -0.147 0.000 1.327 614 I CA -0.163 61.100 61.300 -0.062 0.000 1.100 614 I CB 0.340 38.333 38.000 -0.012 0.000 1.025 614 I HN -0.322 nan 8.210 nan 0.000 0.396 615 R N 0.573 120.964 120.500 -0.182 0.000 2.881 615 R HA 0.287 4.627 4.340 0.000 0.000 0.331 615 R C 0.776 176.976 176.300 -0.166 0.000 1.207 615 R CA -0.153 55.778 56.100 -0.282 0.000 1.265 615 R CB 0.532 30.715 30.300 -0.195 0.000 1.351 615 R HN 0.054 nan 8.270 nan 0.000 0.613 616 T N 0.909 115.342 114.554 -0.203 0.000 2.849 616 T HA -0.135 4.215 4.350 0.000 0.000 0.270 616 T C 1.504 176.098 174.700 -0.178 0.000 1.066 616 T CA 1.389 63.406 62.100 -0.138 0.000 1.130 616 T CB 0.073 68.856 68.868 -0.142 0.000 0.864 616 T HN 0.318 nan 8.240 nan 0.000 0.481 617 K N -0.146 120.040 120.400 -0.357 0.000 2.280 617 K HA -0.084 4.236 4.320 0.000 0.000 0.202 617 K C 1.735 178.373 176.600 0.064 0.000 1.047 617 K CA 0.846 56.943 56.287 -0.316 0.000 0.942 617 K CB -0.192 31.839 32.500 -0.782 0.000 0.739 617 K HN 0.342 nan 8.250 nan 0.000 0.457 618 Y N 1.652 122.057 120.300 0.175 0.000 2.315 618 Y HA -0.177 4.373 4.550 0.000 0.000 0.288 618 Y C 1.958 177.847 175.900 -0.020 0.000 1.154 618 Y CA 0.981 59.274 58.100 0.321 0.000 1.229 618 Y CB -0.178 38.594 38.460 0.521 0.000 0.980 618 Y HN 0.022 nan 8.280 nan 0.000 0.540 619 R N -0.701 119.670 120.500 -0.216 0.000 2.120 619 R HA -0.199 4.141 4.340 0.000 0.000 0.234 619 R C 1.723 177.825 176.300 -0.330 0.000 1.123 619 R CA 1.356 56.971 56.100 -0.808 0.000 0.975 619 R CB -0.286 29.637 30.300 -0.627 0.000 0.866 619 R HN 0.265 nan 8.270 nan 0.000 0.446 620 Q N 0.715 120.460 119.800 -0.090 0.000 2.482 620 Q HA 0.012 4.352 4.340 0.000 0.000 0.209 620 Q C -0.053 176.003 176.000 0.093 0.000 0.961 620 Q CA 0.469 56.273 55.803 0.002 0.000 0.945 620 Q CB -0.045 28.698 28.738 0.009 0.000 1.012 620 Q HN 0.201 nan 8.270 nan 0.000 0.515 621 D N -0.250 120.262 120.400 0.187 0.000 2.390 621 D HA -0.007 4.633 4.640 0.000 0.000 0.249 621 D C -1.717 174.702 176.300 0.198 0.000 1.144 621 D CA -1.731 52.422 54.000 0.255 0.000 0.880 621 D CB 1.446 42.503 40.800 0.428 0.000 1.182 621 D HN -0.031 nan 8.370 nan 0.000 0.451 622 P HA -0.139 nan 4.420 nan 0.000 0.220 622 P C 0.097 177.314 177.300 -0.139 0.000 1.144 622 P CA 1.212 64.323 63.100 0.018 0.000 0.800 622 P CB 0.026 31.768 31.700 0.070 0.000 0.772 623 Y N -4.518 115.826 120.300 0.075 0.000 2.531 623 Y HA 0.173 4.724 4.550 0.000 0.000 0.249 623 Y C 1.897 177.824 175.900 0.046 0.000 1.168 623 Y CA -0.642 57.483 58.100 0.042 0.000 1.226 623 Y CB -0.518 37.949 38.460 0.011 0.000 1.177 623 Y HN -0.107 nan 8.280 nan 0.000 0.527 624 Y N 1.333 121.673 120.300 0.067 0.000 2.097 624 Y HA -0.299 4.251 4.550 0.000 0.000 0.282 624 Y C 1.867 177.824 175.900 0.096 0.000 1.152 624 Y CA 2.085 60.213 58.100 0.047 0.000 1.136 624 Y CB -0.189 38.316 38.460 0.076 0.000 0.975 624 Y HN 0.074 nan 8.280 nan 0.000 0.498 625 D N 0.402 120.873 120.400 0.118 0.000 2.126 625 D HA -0.265 4.375 4.640 0.000 0.000 0.190 625 D C 2.323 178.619 176.300 -0.007 0.000 1.001 625 D CA 2.316 56.350 54.000 0.057 0.000 0.841 625 D CB -0.592 40.239 40.800 0.051 0.000 0.949 625 D HN 0.476 nan 8.370 nan 0.000 0.446 626 I N 0.418 120.983 120.570 -0.010 0.000 2.286 626 I HA -0.209 3.961 4.170 0.000 0.000 0.248 626 I C 2.569 178.695 176.117 0.014 0.000 1.115 626 I CA 0.724 62.030 61.300 0.009 0.000 1.392 626 I CB -0.137 37.895 38.000 0.055 0.000 1.065 626 I HN -0.056 nan 8.210 nan 0.000 0.418 627 V N -0.462 119.451 119.914 -0.002 0.000 2.535 627 V HA -0.263 3.857 4.120 0.000 0.000 0.246 627 V C 2.304 178.412 176.094 0.022 0.000 1.045 627 V CA 1.255 63.561 62.300 0.009 0.000 1.058 627 V CB -0.415 31.365 31.823 -0.072 0.000 0.689 627 V HN 0.441 nan 8.190 nan 0.000 0.461 628 Y N 0.849 120.984 120.300 -0.274 0.000 2.200 628 Y HA -0.136 4.414 4.550 0.000 0.000 0.290 628 Y C 2.594 178.344 175.900 -0.250 0.000 1.137 628 Y CA 2.227 60.077 58.100 -0.416 0.000 1.163 628 Y CB -0.126 37.870 38.460 -0.773 0.000 0.988 628 Y HN 0.286 nan 8.280 nan 0.000 0.518 629 Q N -0.147 119.542 119.800 -0.186 0.000 2.172 629 Q HA -0.075 4.266 4.340 0.000 0.000 0.200 629 Q C 2.522 178.408 176.000 -0.190 0.000 0.964 629 Q CA 1.220 56.901 55.803 -0.203 0.000 0.855 629 Q CB -0.681 28.011 28.738 -0.077 0.000 0.918 629 Q HN 0.599 nan 8.270 nan 0.000 0.444 630 A N 0.137 122.896 122.820 -0.101 0.000 1.933 630 A HA -0.211 4.109 4.320 0.000 0.000 0.218 630 A C 1.962 179.515 177.584 -0.052 0.000 1.175 630 A CA 1.377 53.383 52.037 -0.052 0.000 0.628 630 A CB -0.771 18.238 19.000 0.015 0.000 0.814 630 A HN 0.425 nan 8.150 nan 0.000 0.444 631 Y N 0.646 120.826 120.300 -0.200 0.000 2.200 631 Y HA -0.140 4.410 4.550 0.000 0.000 0.290 631 Y C 1.886 177.611 175.900 -0.291 0.000 1.137 631 Y CA 1.614 59.589 58.100 -0.207 0.000 1.163 631 Y CB -0.453 37.866 38.460 -0.235 0.000 0.988 631 Y HN 0.211 nan 8.280 nan 0.000 0.518 632 L N 0.135 120.977 121.223 -0.635 0.000 2.012 632 L HA -0.255 4.086 4.340 0.000 0.000 0.210 632 L C 2.399 179.022 176.870 -0.412 0.000 1.073 632 L CA 1.805 56.268 54.840 -0.629 0.000 0.748 632 L CB -0.550 41.196 42.059 -0.522 0.000 0.891 632 L HN 0.156 nan 8.230 nan 0.000 0.431 633 R N 0.280 120.610 120.500 -0.283 0.000 2.339 633 R HA 0.042 4.382 4.340 0.000 0.000 0.199 633 R C 1.139 177.339 176.300 -0.166 0.000 1.018 633 R CA 0.592 56.579 56.100 -0.187 0.000 1.036 633 R CB -0.298 29.924 30.300 -0.130 0.000 0.899 633 R HN 0.492 nan 8.270 nan 0.000 0.473 634 G N 0.722 109.398 108.800 -0.206 0.000 2.273 634 G HA2 -0.333 3.627 3.960 0.000 0.000 0.280 634 G HA3 -0.333 3.627 3.960 0.000 0.000 0.280 634 G C -0.212 174.654 174.900 -0.057 0.000 1.047 634 G CA 0.668 45.687 45.100 -0.134 0.000 0.869 634 G HN 0.584 nan 8.290 nan 0.000 0.502 635 E N -1.204 118.972 120.200 -0.039 0.000 2.312 635 E HA 0.978 5.328 4.350 0.000 0.000 0.267 635 E C 0.197 176.807 176.600 0.016 0.000 0.894 635 E CA -0.085 56.306 56.400 -0.015 0.000 0.773 635 E CB 1.330 31.011 29.700 -0.031 0.000 1.241 635 E HN 2.004 nan 8.360 nan 0.000 0.432 636 A N 2.724 125.552 122.820 0.015 0.000 2.511 636 A HA 0.555 4.875 4.320 0.000 0.000 0.242 636 A C -1.999 175.592 177.584 0.010 0.000 1.069 636 A CA -0.662 51.386 52.037 0.018 0.000 0.763 636 A CB -0.395 18.602 19.000 -0.005 0.000 1.001 636 A HN 0.516 nan 8.150 nan 0.000 0.498 637 P HA 0.371 nan 4.420 nan 0.000 0.277 637 P C -0.862 176.420 177.300 -0.031 0.000 1.240 637 P CA -0.268 62.846 63.100 0.023 0.000 0.798 637 P CB 1.040 32.798 31.700 0.096 0.000 0.979 638 V N 3.484 123.378 119.914 -0.033 0.000 2.384 638 V HA 0.344 4.464 4.120 0.000 0.000 0.287 638 V C 0.206 176.238 176.094 -0.103 0.000 1.020 638 V CA -0.394 61.866 62.300 -0.066 0.000 0.850 638 V CB 0.951 32.746 31.823 -0.046 0.000 0.987 638 V HN 0.362 nan 8.190 nan 0.000 0.436 639 L N 4.548 125.652 121.223 -0.198 0.000 2.341 639 L HA 0.620 4.960 4.340 0.000 0.000 0.267 639 L C -0.076 176.511 176.870 -0.472 0.000 1.009 639 L CA -0.418 54.182 54.840 -0.401 0.000 0.819 639 L CB 2.078 43.760 42.059 -0.629 0.000 1.323 639 L HN 0.486 nan 8.230 nan 0.000 0.425 640 N N 1.649 120.011 118.700 -0.564 0.000 2.446 640 N HA 0.387 5.127 4.740 0.000 0.000 0.265 640 N C -1.516 173.673 175.510 -0.535 0.000 0.975 640 N CA -0.289 52.509 53.050 -0.421 0.000 0.928 640 N CB 1.349 39.689 38.487 -0.245 0.000 1.160 640 N HN 0.455 nan 8.380 nan 0.000 0.495 641 Y N 0.170 120.346 120.300 -0.207 0.000 2.468 641 Y HA 0.285 4.835 4.550 0.000 0.000 0.342 641 Y C 0.053 175.774 175.900 -0.298 0.000 1.021 641 Y CA -0.942 57.041 58.100 -0.194 0.000 1.079 641 Y CB 1.623 39.985 38.460 -0.164 0.000 1.226 641 Y HN 0.454 nan 8.280 nan 0.000 0.460 642 H N 1.540 120.657 119.070 0.078 0.000 2.360 642 H HA 0.347 4.904 4.556 0.000 0.000 0.233 642 H C -0.696 174.652 175.328 0.034 0.000 1.473 642 H CA -0.784 55.302 56.048 0.062 0.000 1.352 642 H CB 0.189 29.970 29.762 0.032 0.000 1.493 642 H HN 0.389 nan 8.280 nan 0.000 0.533 643 R N 0.775 121.201 120.500 -0.122 0.000 2.491 643 R HA 0.019 4.359 4.340 0.000 0.000 0.283 643 R C 0.664 176.858 176.300 -0.176 0.000 1.072 643 R CA -0.267 55.622 56.100 -0.352 0.000 1.048 643 R CB 0.577 30.310 30.300 -0.945 0.000 0.983 643 R HN 0.453 nan 8.270 nan 0.000 0.450 644 F N 4.114 123.932 119.950 -0.221 0.000 2.095 644 F HA -0.245 4.282 4.527 0.000 0.000 0.298 644 F C 1.820 177.511 175.800 -0.182 0.000 1.104 644 F CA 1.534 59.414 58.000 -0.200 0.000 1.232 644 F CB -0.068 38.804 39.000 -0.214 0.000 0.987 644 F HN 0.710 nan 8.300 nan 0.000 0.475 645 W N 0.070 121.208 121.300 -0.271 0.000 2.425 645 W HA -0.134 4.526 4.660 0.000 0.000 0.277 645 W C 1.760 178.130 176.519 -0.249 0.000 1.231 645 W CA 1.316 58.334 57.345 -0.544 0.000 1.248 645 W CB -1.592 27.441 29.460 -0.713 0.000 1.117 645 W HN 0.240 nan 8.180 nan 0.000 0.568 646 H N 1.073 119.635 119.070 -0.846 0.000 2.299 646 H HA -0.135 4.421 4.556 0.000 0.000 0.302 646 H C 2.310 177.446 175.328 -0.321 0.000 1.078 646 H CA 1.695 57.328 56.048 -0.693 0.000 1.323 646 H CB 0.175 29.546 29.762 -0.652 0.000 1.381 646 H HN 0.048 nan 8.280 nan 0.000 0.498 647 E N 0.625 120.712 120.200 -0.188 0.000 2.085 647 E HA -0.127 4.223 4.350 0.000 0.000 0.194 647 E C 2.514 178.994 176.600 -0.199 0.000 0.994 647 E CA 0.736 57.018 56.400 -0.197 0.000 0.801 647 E CB -0.474 29.005 29.700 -0.370 0.000 0.743 647 E HN 0.276 nan 8.360 nan 0.000 0.453 648 V N 2.182 121.916 119.914 -0.300 0.000 2.307 648 V HA -0.209 3.912 4.120 0.000 0.000 0.245 648 V C 2.091 178.224 176.094 0.066 0.000 1.045 648 V CA 1.877 64.094 62.300 -0.137 0.000 1.024 648 V CB -0.471 31.268 31.823 -0.140 0.000 0.651 648 V HN 0.104 nan 8.190 nan 0.000 0.449 649 D N -0.128 120.371 120.400 0.165 0.000 2.123 649 D HA -0.161 4.479 4.640 0.000 0.000 0.196 649 D C 2.001 178.365 176.300 0.107 0.000 0.992 649 D CA 1.286 55.436 54.000 0.251 0.000 0.833 649 D CB -0.127 40.972 40.800 0.498 0.000 0.954 649 D HN 0.322 nan 8.370 nan 0.000 0.455 650 L N 0.877 122.143 121.223 0.072 0.000 2.017 650 L HA -0.076 4.264 4.340 0.000 0.000 0.208 650 L C 2.187 179.103 176.870 0.076 0.000 1.073 650 L CA 1.961 56.845 54.840 0.074 0.000 0.745 650 L CB -0.844 41.271 42.059 0.093 0.000 0.894 650 L HN -0.040 nan 8.230 nan 0.000 0.432 651 A N -1.108 121.754 122.820 0.069 0.000 1.883 651 A HA -0.170 4.150 4.320 0.000 0.000 0.217 651 A C 2.263 179.996 177.584 0.249 0.000 1.186 651 A CA 2.192 54.312 52.037 0.138 0.000 0.624 651 A CB -1.166 17.864 19.000 0.049 0.000 0.822 651 A HN 0.310 nan 8.150 nan 0.000 0.444 652 V N -0.224 119.734 119.914 0.072 0.000 2.427 652 V HA -0.200 3.921 4.120 0.000 0.000 0.248 652 V C 3.028 179.038 176.094 -0.140 0.000 1.051 652 V CA 1.709 63.932 62.300 -0.128 0.000 1.048 652 V CB -1.171 30.323 31.823 -0.548 0.000 0.666 652 V HN 0.625 nan 8.190 nan 0.000 0.456 653 A N -0.360 122.418 122.820 -0.069 0.000 1.908 653 A HA -0.282 4.038 4.320 0.000 0.000 0.218 653 A C 2.233 179.778 177.584 -0.065 0.000 1.181 653 A CA 2.343 54.355 52.037 -0.043 0.000 0.627 653 A CB -0.508 18.493 19.000 0.002 0.000 0.818 653 A HN 0.502 nan 8.150 nan 0.000 0.445 654 M N -0.665 118.930 119.600 -0.008 0.000 2.108 654 M HA -0.129 4.351 4.480 0.000 0.000 0.261 654 M C 2.251 178.532 176.300 -0.031 0.000 1.066 654 M CA 1.571 56.882 55.300 0.018 0.000 1.107 654 M CB -0.550 32.137 32.600 0.145 0.000 1.356 654 M HN 0.500 nan 8.290 nan 0.000 0.406 655 G N -0.807 107.925 108.800 -0.113 0.000 2.443 655 G HA2 -0.087 3.873 3.960 0.000 0.000 0.219 655 G HA3 -0.087 3.873 3.960 0.000 0.000 0.219 655 G C 1.459 176.166 174.900 -0.322 0.000 1.131 655 G CA 0.534 45.402 45.100 -0.386 0.000 0.775 655 G HN 0.319 nan 8.290 nan 0.000 0.547 656 V N 0.674 120.479 119.914 -0.181 0.000 2.379 656 V HA -0.054 4.066 4.120 0.000 0.000 0.245 656 V C 2.774 178.885 176.094 0.028 0.000 1.044 656 V CA 0.860 63.125 62.300 -0.059 0.000 1.036 656 V CB -0.281 31.570 31.823 0.047 0.000 0.664 656 V HN 0.198 nan 8.190 nan 0.000 0.453 657 L N 0.591 121.814 121.223 -0.000 0.000 2.012 657 L HA -0.136 4.204 4.340 0.000 0.000 0.210 657 L C 2.656 179.569 176.870 0.073 0.000 1.073 657 L CA 2.472 57.346 54.840 0.058 0.000 0.748 657 L CB -1.718 40.153 42.059 -0.314 0.000 0.891 657 L HN 0.342 nan 8.230 nan 0.000 0.431 658 A N -1.818 120.990 122.820 -0.021 0.000 1.972 658 A HA -0.180 4.140 4.320 0.000 0.000 0.219 658 A C 2.343 179.807 177.584 -0.201 0.000 1.169 658 A CA 2.143 54.144 52.037 -0.060 0.000 0.635 658 A CB -0.743 18.184 19.000 -0.121 0.000 0.810 658 A HN 0.451 nan 8.150 nan 0.000 0.446 659 T N -1.664 112.688 114.554 -0.337 0.000 2.770 659 T HA -0.053 4.297 4.350 0.000 0.000 0.258 659 T C 1.541 175.874 174.700 -0.611 0.000 1.039 659 T CA 1.686 63.439 62.100 -0.578 0.000 1.143 659 T CB -0.343 68.017 68.868 -0.848 0.000 0.866 659 T HN 0.615 nan 8.240 nan 0.000 0.428 660 Y N -0.871 119.256 120.300 -0.288 0.000 2.497 660 Y HA 0.349 4.899 4.550 0.000 0.000 0.265 660 Y C 0.270 175.624 175.900 -0.910 0.000 1.111 660 Y CA -0.258 57.485 58.100 -0.595 0.000 1.288 660 Y CB 0.443 38.454 38.460 -0.747 0.000 1.082 660 Y HN 0.101 nan 8.280 nan 0.000 0.536 661 F N 0.656 120.644 119.950 0.062 0.000 2.564 661 F HA 0.363 4.890 4.527 0.000 0.000 0.329 661 F C -2.060 173.760 175.800 0.032 0.000 1.458 661 F CA -2.762 55.266 58.000 0.047 0.000 1.117 661 F CB 0.699 39.729 39.000 0.050 0.000 1.383 661 F HN -0.146 nan 8.300 nan 0.000 0.571 662 P HA -0.070 nan 4.420 nan 0.000 0.234 662 P C 0.413 177.750 177.300 0.060 0.000 1.167 662 P CA 1.182 64.301 63.100 0.031 0.000 0.763 662 P CB 0.451 32.124 31.700 -0.046 0.000 0.835 663 D N -1.296 119.161 120.400 0.095 0.000 2.389 663 D HA 0.130 4.770 4.640 0.000 0.000 0.206 663 D C 1.139 177.494 176.300 0.092 0.000 1.055 663 D CA 0.261 54.304 54.000 0.072 0.000 0.856 663 D CB -0.051 40.784 40.800 0.058 0.000 0.957 663 D HN 0.236 nan 8.370 nan 0.000 0.509 664 M N 0.181 119.882 119.600 0.169 0.000 2.226 664 M HA 0.160 4.640 4.480 0.000 0.000 0.324 664 M C 0.354 176.751 176.300 0.162 0.000 1.112 664 M CA 0.792 56.217 55.300 0.209 0.000 1.176 664 M CB 1.062 33.849 32.600 0.312 0.000 1.430 664 M HN -0.286 nan 8.290 nan 0.000 0.462 665 T N 0.600 115.173 114.554 0.033 0.000 2.923 665 T HA 0.316 4.667 4.350 0.000 0.000 0.311 665 T C -1.598 172.855 174.700 -0.412 0.000 1.183 665 T CA -0.579 61.351 62.100 -0.284 0.000 1.020 665 T CB 0.953 69.749 68.868 -0.120 0.000 1.165 665 T HN 0.465 nan 8.240 nan 0.000 0.482 666 Y N 2.614 122.459 120.300 -0.757 0.000 2.480 666 Y HA 0.491 5.041 4.550 0.000 0.000 0.338 666 Y C 0.014 175.814 175.900 -0.167 0.000 1.220 666 Y CA 0.310 58.152 58.100 -0.430 0.000 1.430 666 Y CB 0.114 38.331 38.460 -0.404 0.000 1.311 666 Y HN 0.728 nan 8.280 nan 0.000 0.575 667 K N 5.142 124.928 120.400 -1.023 0.000 2.523 667 K HA 0.615 4.935 4.320 0.000 0.000 0.257 667 K C -1.528 174.463 176.600 -1.015 0.000 0.932 667 K CA -0.357 55.461 56.287 -0.782 0.000 0.812 667 K CB 0.878 33.159 32.500 -0.365 0.000 1.326 667 K HN 1.078 nan 8.250 nan 0.000 0.433 668 V N 4.371 123.874 119.914 -0.684 0.000 2.557 668 V HA 0.308 4.428 4.120 0.000 0.000 0.301 668 V C -1.703 174.098 176.094 -0.488 0.000 1.026 668 V CA -0.799 61.125 62.300 -0.627 0.000 1.137 668 V CB 0.384 31.878 31.823 -0.549 0.000 0.917 668 V HN 0.915 nan 8.190 nan 0.000 0.484 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.977 63.100 -0.205 0.000 0.800 669 P CB 0.000 31.665 31.700 -0.058 0.000 0.726