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 2vnc_1_B DATA FIRST_RESID 7 DATA SEQUENCE TRDRPLRPGD PYPLGSNWIE DDDGVNFSLF SENAEKVELL LYSLTNQKYP DATA SEQUENCE KEIIEVKNKT GDIWHVFVPG LRPGQLYAYR VYGPYKPELG LRFNPNKVLI DATA SEQUENCE DPYAKAINGS VIWNDAVFGY KIGDQNQDLT YDERDSGEYV PKSVVINPYF DATA SEQUENCE EWDDEDFIKG KKVPLKDTVI YEVHVKGFTK LRLDLPENIR GTYEGLASEQ DATA SEQUENCE MISYLKDLGI TTVELMPVFH FIDQRFLTDK GLTNYWGYDP INFFSPEcRY DATA SEQUENCE SSTGcLGGQV LSFKKMVNEL HNAGIEVIID VVYNHTAEGN HLGPTLSFRG DATA SEQUENCE IDNTAYYMLQ PDNKRYYLDF TGTGNTLNLS HPRVIQMVLD SLRYWVTEMH DATA SEQUENCE VDGFRFDLAA ALARELYSVN MLNTFFIALQ QDPILSQVKL IAEPWDVGQG DATA SEQUENCE GYQVGNFPYQ WAEWNGKYRD SIRRFWRGEA LPYSEIANRL LGSPDIXXXN DATA SEQUENCE NKTPFASINY VTSHDGFTLE DLVSYNXXHN EANGFNNQDG MNENYSWNcG DATA SEQUENCE XXXXXXDQNV VIcREKQKRN FMITLLVSQG TPMILGGDEL SRTQRGNNNA DATA SEQUENCE FCQDNEITWF DWNLDERKSK FLEFVKKMIQ FYRAHPAFRR ERXXXXXXXX DATA SEQUENCE XXXXXDVTFY TLEGREVDEK TWSSPTQLVI FVLEGXXXXX XXXXXXXXXX DATA SEQUENCE DSFLIILNAN PNNVKVKFPK GKWELVISSY LREIKPEEXX XXGEKELEIE DATA SEQUENCE GRTALVYRR 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.692 174.700 -0.013 0.000 1.109 7 T CA 0.000 62.091 62.100 -0.014 0.000 1.349 7 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 8 R N 1.431 121.920 120.500 -0.018 0.000 3.064 8 R HA 0.215 4.554 4.340 -0.002 0.000 0.280 8 R C 1.122 177.416 176.300 -0.009 0.000 1.182 8 R CA 0.682 56.771 56.100 -0.019 0.000 1.155 8 R CB -0.129 30.153 30.300 -0.030 0.000 1.112 8 R HN 0.499 nan 8.270 nan 0.000 0.564 9 D N -0.457 119.938 120.400 -0.009 0.000 2.128 9 D HA -0.043 4.596 4.640 -0.002 0.000 0.213 9 D C 0.874 177.181 176.300 0.012 0.000 0.983 9 D CA 1.252 55.251 54.000 -0.001 0.000 0.889 9 D CB 0.255 41.052 40.800 -0.005 0.000 1.018 9 D HN 0.280 nan 8.370 nan 0.000 0.448 10 R N 0.100 120.612 120.500 0.020 0.000 2.544 10 R HA 0.188 4.527 4.340 -0.002 0.000 0.426 10 R C -2.426 173.890 176.300 0.026 0.000 0.943 10 R CA -0.542 55.565 56.100 0.012 0.000 1.162 10 R CB 0.444 30.743 30.300 -0.003 0.000 1.588 10 R HN 0.105 nan 8.270 nan 0.000 0.563 11 P HA 0.056 nan 4.420 nan 0.000 0.268 11 P C -0.818 176.537 177.300 0.091 0.000 1.208 11 P CA 0.227 63.361 63.100 0.057 0.000 0.777 11 P CB 0.912 32.648 31.700 0.060 0.000 0.875 12 L N 2.273 123.556 121.223 0.099 0.000 2.372 12 L HA 0.389 4.728 4.340 -0.002 0.000 0.273 12 L C 0.376 177.350 176.870 0.174 0.000 0.989 12 L CA -0.964 53.960 54.840 0.140 0.000 0.841 12 L CB 1.656 43.768 42.059 0.088 0.000 1.225 12 L HN 0.213 nan 8.230 nan 0.000 0.414 13 R N 3.608 124.279 120.500 0.286 0.000 2.389 13 R HA 0.192 4.531 4.340 -0.002 0.000 0.295 13 R C -1.603 174.844 176.300 0.245 0.000 1.075 13 R CA -1.583 54.645 56.100 0.214 0.000 1.005 13 R CB 0.138 30.495 30.300 0.094 0.000 0.987 13 R HN 0.246 nan 8.270 nan 0.000 0.452 14 P HA -0.183 nan 4.420 nan 0.000 0.217 14 P C 0.314 177.810 177.300 0.327 0.000 1.148 14 P CA 1.843 65.065 63.100 0.203 0.000 0.834 14 P CB 0.158 31.951 31.700 0.154 0.000 0.783 15 G N -0.841 108.095 108.800 0.227 0.000 2.593 15 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.237 15 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.237 15 G C -1.148 173.772 174.900 0.033 0.000 1.312 15 G CA -0.197 45.016 45.100 0.188 0.000 0.896 15 G HN 0.161 nan 8.290 nan 0.000 0.574 16 D N 0.989 121.350 120.400 -0.065 0.000 2.433 16 D HA 0.541 5.180 4.640 -0.002 0.000 0.236 16 D C -1.319 174.700 176.300 -0.468 0.000 1.026 16 D CA -0.934 52.898 54.000 -0.280 0.000 0.884 16 D CB 2.201 42.927 40.800 -0.123 0.000 1.384 16 D HN 0.182 nan 8.370 nan 0.000 0.477 17 P HA -0.047 nan 4.420 nan 0.000 0.222 17 P C -0.268 176.713 177.300 -0.532 0.000 1.153 17 P CA 0.852 63.564 63.100 -0.646 0.000 0.798 17 P CB 0.423 31.650 31.700 -0.789 0.000 0.796 18 Y N 0.768 121.002 120.300 -0.109 0.000 2.468 18 Y HA 0.491 5.040 4.550 -0.002 0.000 0.342 18 Y C -1.842 174.023 175.900 -0.059 0.000 1.021 18 Y CA -2.974 55.081 58.100 -0.075 0.000 1.079 18 Y CB 0.806 39.230 38.460 -0.060 0.000 1.226 18 Y HN -0.156 nan 8.280 nan 0.000 0.460 19 P HA 0.229 nan 4.420 nan 0.000 0.282 19 P C -0.859 176.440 177.300 -0.001 0.000 1.249 19 P CA -0.455 62.712 63.100 0.112 0.000 0.806 19 P CB 1.226 32.976 31.700 0.082 0.000 0.984 20 L N 1.913 123.062 121.223 -0.123 0.000 2.490 20 L HA 0.397 4.737 4.340 -0.002 0.000 0.274 20 L C 1.391 178.082 176.870 -0.299 0.000 1.201 20 L CA 1.416 56.006 54.840 -0.416 0.000 0.869 20 L CB -0.651 40.729 42.059 -1.133 0.000 1.123 20 L HN 0.899 nan 8.230 nan 0.000 0.484 21 G N 1.887 110.635 108.800 -0.087 0.000 2.362 21 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.517 21 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.517 21 G C -0.705 174.241 174.900 0.077 0.000 1.256 21 G CA -0.339 44.822 45.100 0.100 0.000 1.027 21 G HN 0.826 nan 8.290 nan 0.000 0.491 22 S N -0.267 115.453 115.700 0.033 0.000 2.525 22 S HA 0.657 5.126 4.470 -0.002 0.000 0.278 22 S C -0.080 174.387 174.600 -0.223 0.000 1.234 22 S CA -0.088 57.911 58.200 -0.334 0.000 1.058 22 S CB 1.642 64.587 63.200 -0.425 0.000 0.983 22 S HN 1.023 nan 8.310 nan 0.000 0.495 23 N N 3.110 121.631 118.700 -0.300 0.000 2.558 23 N HA 0.144 4.883 4.740 -0.002 0.000 0.285 23 N C -1.210 174.279 175.510 -0.034 0.000 1.112 23 N CA -0.480 52.518 53.050 -0.086 0.000 0.857 23 N CB 1.080 39.543 38.487 -0.040 0.000 1.376 23 N HN 0.934 nan 8.380 nan 0.000 0.526 24 W N 6.443 127.665 121.300 -0.130 0.000 2.311 24 W HA 0.479 5.138 4.660 -0.002 0.000 0.310 24 W C -1.649 174.877 176.519 0.012 0.000 1.274 24 W CA -0.495 56.803 57.345 -0.079 0.000 1.215 24 W CB 0.060 29.477 29.460 -0.072 0.000 1.227 24 W HN 0.251 nan 8.180 nan 0.000 0.523 25 I N 4.129 124.573 120.570 -0.211 0.000 2.339 25 I HA 0.044 4.213 4.170 -0.002 0.000 0.290 25 I C 1.061 176.826 176.117 -0.588 0.000 0.994 25 I CA -0.202 60.859 61.300 -0.398 0.000 1.191 25 I CB 1.786 39.733 38.000 -0.090 0.000 1.343 25 I HN 0.582 nan 8.210 nan 0.000 0.458 26 E N 4.533 124.181 120.200 -0.919 0.000 2.311 26 E HA 0.015 4.364 4.350 -0.002 0.000 0.198 26 E C -0.355 176.085 176.600 -0.268 0.000 1.115 26 E CA 0.223 56.158 56.400 -0.774 0.000 1.140 26 E CB 0.299 29.483 29.700 -0.860 0.000 1.204 26 E HN 0.641 nan 8.360 nan 0.000 0.446 27 D N 0.160 120.454 120.400 -0.176 0.000 3.099 27 D HA -0.032 4.607 4.640 -0.002 0.000 0.291 27 D C 0.468 176.758 176.300 -0.016 0.000 1.209 27 D CA 0.349 54.301 54.000 -0.081 0.000 1.032 27 D CB -0.117 40.627 40.800 -0.094 0.000 1.324 27 D HN 0.183 nan 8.370 nan 0.000 0.440 28 D N 1.219 121.617 120.400 -0.004 0.000 2.371 28 D HA -0.017 4.622 4.640 -0.002 0.000 0.234 28 D C -0.133 176.314 176.300 0.245 0.000 1.049 28 D CA 0.323 54.367 54.000 0.074 0.000 0.907 28 D CB -0.243 40.514 40.800 -0.072 0.000 0.891 28 D HN 0.041 nan 8.370 nan 0.000 0.531 29 D N -0.438 120.074 120.400 0.187 0.000 2.686 29 D HA -0.145 4.494 4.640 -0.002 0.000 0.235 29 D C 0.237 176.705 176.300 0.281 0.000 1.160 29 D CA 1.224 55.368 54.000 0.240 0.000 0.645 29 D CB -0.942 39.965 40.800 0.178 0.000 1.039 29 D HN 0.388 nan 8.370 nan 0.000 0.423 30 G N -1.913 107.086 108.800 0.332 0.000 2.788 30 G HA2 0.652 4.611 3.960 -0.002 0.000 0.293 30 G HA3 0.652 4.611 3.960 -0.002 0.000 0.293 30 G C -1.182 173.691 174.900 -0.045 0.000 1.392 30 G CA -0.202 44.903 45.100 0.009 0.000 0.810 30 G HN 0.338 nan 8.290 nan 0.000 0.508 31 V N 1.189 120.869 119.914 -0.389 0.000 2.495 31 V HA 0.442 4.561 4.120 -0.002 0.000 0.298 31 V C -0.412 175.400 176.094 -0.470 0.000 1.031 31 V CA -1.191 60.917 62.300 -0.320 0.000 0.871 31 V CB 1.673 33.283 31.823 -0.354 0.000 0.988 31 V HN 0.680 nan 8.190 nan 0.000 0.432 32 N N 3.271 121.827 118.700 -0.241 0.000 2.434 32 N HA 0.438 5.177 4.740 -0.002 0.000 0.272 32 N C -1.615 173.699 175.510 -0.326 0.000 1.040 32 N CA -0.160 52.876 53.050 -0.022 0.000 0.956 32 N CB 0.940 39.524 38.487 0.160 0.000 1.108 32 N HN 0.449 nan 8.380 nan 0.000 0.481 33 F N 1.069 121.059 119.950 0.066 0.000 2.444 33 F HA 0.307 4.833 4.527 -0.002 0.000 0.342 33 F C 0.512 176.424 175.800 0.188 0.000 1.121 33 F CA -0.693 57.357 58.000 0.084 0.000 0.997 33 F CB 1.705 40.728 39.000 0.038 0.000 1.130 33 F HN 0.283 nan 8.300 nan 0.000 0.454 34 S N 4.214 120.105 115.700 0.319 0.000 2.557 34 S HA 0.838 5.307 4.470 -0.002 0.000 0.291 34 S C -1.496 173.216 174.600 0.187 0.000 1.116 34 S CA -0.709 57.635 58.200 0.241 0.000 0.992 34 S CB 1.830 65.079 63.200 0.081 0.000 1.028 34 S HN 0.658 nan 8.310 nan 0.000 0.484 35 L N 3.372 124.702 121.223 0.177 0.000 2.436 35 L HA 0.706 5.045 4.340 -0.002 0.000 0.268 35 L C -1.198 175.824 176.870 0.254 0.000 0.974 35 L CA -0.774 54.114 54.840 0.080 0.000 0.826 35 L CB 1.737 43.586 42.059 -0.350 0.000 1.291 35 L HN 0.830 nan 8.230 nan 0.000 0.406 36 F N 4.541 124.572 119.950 0.135 0.000 2.495 36 F HA 0.588 5.114 4.527 -0.002 0.000 0.365 36 F C 0.114 176.086 175.800 0.286 0.000 1.090 36 F CA 0.424 58.543 58.000 0.198 0.000 1.235 36 F CB 0.912 40.004 39.000 0.154 0.000 1.119 36 F HN 0.499 nan 8.300 nan 0.000 0.562 37 S N 5.323 120.755 115.700 -0.446 0.000 2.333 37 S HA 0.097 4.566 4.470 -0.002 0.000 0.208 37 S C 0.513 174.962 174.600 -0.253 0.000 0.911 37 S CA -0.528 57.344 58.200 -0.547 0.000 1.075 37 S CB 0.200 63.374 63.200 -0.043 0.000 1.293 37 S HN 0.957 nan 8.310 nan 0.000 0.396 38 E N 3.148 123.012 120.200 -0.559 0.000 2.097 38 E HA -0.172 4.177 4.350 -0.002 0.000 0.196 38 E C 0.934 177.593 176.600 0.098 0.000 1.000 38 E CA 1.614 58.008 56.400 -0.011 0.000 0.804 38 E CB 0.018 29.831 29.700 0.189 0.000 0.740 38 E HN 0.771 nan 8.360 nan 0.000 0.454 39 N N -0.683 118.104 118.700 0.145 0.000 2.236 39 N HA 0.172 4.911 4.740 -0.002 0.000 0.196 39 N C -0.616 174.937 175.510 0.072 0.000 1.114 39 N CA -0.060 53.134 53.050 0.240 0.000 0.859 39 N CB 0.853 39.587 38.487 0.411 0.000 0.982 39 N HN 0.072 nan 8.380 nan 0.000 0.493 40 A N 0.854 123.688 122.820 0.022 0.000 2.511 40 A HA 0.031 4.350 4.320 -0.002 0.000 0.242 40 A C 0.964 178.472 177.584 -0.127 0.000 1.069 40 A CA 0.163 52.011 52.037 -0.315 0.000 0.763 40 A CB 0.396 19.257 19.000 -0.232 0.000 1.001 40 A HN 0.303 nan 8.150 nan 0.000 0.498 41 E N 0.873 120.887 120.200 -0.309 0.000 2.075 41 E HA 0.025 4.374 4.350 -0.002 0.000 0.190 41 E C 0.458 177.030 176.600 -0.046 0.000 0.969 41 E CA 0.795 57.142 56.400 -0.089 0.000 0.815 41 E CB 0.199 29.837 29.700 -0.104 0.000 0.776 41 E HN 0.628 nan 8.360 nan 0.000 0.457 42 K N 0.197 120.463 120.400 -0.223 0.000 2.502 42 K HA 0.440 4.759 4.320 -0.002 0.000 0.257 42 K C -1.788 174.525 176.600 -0.477 0.000 0.938 42 K CA -0.526 55.560 56.287 -0.334 0.000 0.819 42 K CB 2.622 34.889 32.500 -0.390 0.000 1.333 42 K HN -0.190 nan 8.250 nan 0.000 0.434 43 V N 2.353 121.905 119.914 -0.604 0.000 2.638 43 V HA 0.382 4.501 4.120 -0.002 0.000 0.306 43 V C -1.216 174.793 176.094 -0.141 0.000 1.052 43 V CA -0.746 61.265 62.300 -0.482 0.000 0.885 43 V CB 1.889 33.121 31.823 -0.985 0.000 0.999 43 V HN 0.782 nan 8.190 nan 0.000 0.424 44 E N 3.150 123.375 120.200 0.042 0.000 2.216 44 E HA 0.436 4.785 4.350 -0.002 0.000 0.260 44 E C -1.214 175.420 176.600 0.057 0.000 0.880 44 E CA -0.814 55.618 56.400 0.053 0.000 0.765 44 E CB 2.356 32.112 29.700 0.094 0.000 1.174 44 E HN 0.523 nan 8.360 nan 0.000 0.417 45 L N 4.037 125.225 121.223 -0.058 0.000 2.416 45 L HA 0.259 4.598 4.340 -0.002 0.000 0.272 45 L C -1.398 175.311 176.870 -0.268 0.000 1.161 45 L CA -0.014 54.637 54.840 -0.315 0.000 0.845 45 L CB 0.367 42.132 42.059 -0.491 0.000 1.119 45 L HN 0.436 nan 8.230 nan 0.000 0.464 46 L N 6.058 127.124 121.223 -0.262 0.000 2.325 46 L HA 0.503 4.842 4.340 -0.002 0.000 0.281 46 L C -0.711 176.035 176.870 -0.206 0.000 1.004 46 L CA 0.015 54.721 54.840 -0.225 0.000 0.823 46 L CB 1.557 43.553 42.059 -0.106 0.000 1.236 46 L HN 0.517 nan 8.230 nan 0.000 0.415 47 L N 4.199 125.244 121.223 -0.296 0.000 2.309 47 L HA 0.500 4.839 4.340 -0.002 0.000 0.282 47 L C -1.200 175.505 176.870 -0.276 0.000 1.036 47 L CA -0.683 54.050 54.840 -0.179 0.000 0.806 47 L CB 1.233 43.194 42.059 -0.162 0.000 1.220 47 L HN 0.443 nan 8.230 nan 0.000 0.429 48 Y N 0.426 120.705 120.300 -0.035 0.000 2.406 48 Y HA 0.260 4.810 4.550 -0.001 0.000 0.340 48 Y C 0.371 176.256 175.900 -0.024 0.000 0.975 48 Y CA -0.721 57.358 58.100 -0.034 0.000 1.056 48 Y CB 2.390 40.821 38.460 -0.048 0.000 1.210 48 Y HN 0.575 nan 8.280 nan 0.000 0.448 49 S N 3.318 119.095 115.700 0.129 0.000 2.565 49 S HA 0.226 4.695 4.470 -0.002 0.000 0.274 49 S C 0.849 175.490 174.600 0.069 0.000 1.309 49 S CA -0.801 57.440 58.200 0.069 0.000 1.043 49 S CB 0.488 63.709 63.200 0.036 0.000 0.939 49 S HN 0.796 nan 8.310 nan 0.000 0.504 50 L N 0.739 121.981 121.223 0.033 0.000 2.633 50 L HA 0.107 4.446 4.340 -0.002 0.000 0.235 50 L C 1.507 178.380 176.870 0.004 0.000 1.163 50 L CA 0.933 55.780 54.840 0.012 0.000 0.859 50 L CB -1.531 40.527 42.059 -0.001 0.000 0.973 50 L HN 0.894 nan 8.230 nan 0.000 0.451 51 T N -4.570 109.993 114.554 0.014 0.000 3.114 51 T HA 0.095 4.444 4.350 -0.002 0.000 0.240 51 T C 0.914 175.624 174.700 0.017 0.000 0.983 51 T CA -0.159 61.945 62.100 0.007 0.000 1.151 51 T CB -0.277 68.592 68.868 0.001 0.000 0.974 51 T HN 0.220 nan 8.240 nan 0.000 0.442 52 N N 1.831 120.556 118.700 0.041 0.000 2.420 52 N HA 0.254 4.994 4.740 -0.002 0.000 0.249 52 N C 0.113 175.709 175.510 0.143 0.000 1.033 52 N CA 0.058 53.151 53.050 0.071 0.000 0.944 52 N CB 1.479 40.005 38.487 0.065 0.000 1.113 52 N HN 0.480 nan 8.380 nan 0.000 0.502 53 Q N 2.185 122.044 119.800 0.098 0.000 2.288 53 Q HA 0.165 4.504 4.340 -0.002 0.000 0.256 53 Q C 1.094 177.121 176.000 0.046 0.000 0.835 53 Q CA -0.027 55.807 55.803 0.052 0.000 0.958 53 Q CB 0.680 29.339 28.738 -0.131 0.000 1.125 53 Q HN 0.517 nan 8.270 nan 0.000 0.513 54 K N -0.033 120.405 120.400 0.064 0.000 2.063 54 K HA -0.101 4.218 4.320 -0.002 0.000 0.208 54 K C -0.120 176.560 176.600 0.134 0.000 1.048 54 K CA 1.141 57.466 56.287 0.063 0.000 0.928 54 K CB 0.133 32.734 32.500 0.169 0.000 0.713 54 K HN 0.013 nan 8.250 nan 0.000 0.442 55 Y N 0.511 120.856 120.300 0.076 0.000 2.364 55 Y HA 0.241 4.790 4.550 -0.002 0.000 0.340 55 Y C -2.330 173.566 175.900 -0.006 0.000 0.975 55 Y CA -3.260 54.863 58.100 0.038 0.000 1.089 55 Y CB 1.412 39.863 38.460 -0.015 0.000 1.192 55 Y HN -0.037 nan 8.280 nan 0.000 0.454 56 P HA 0.154 nan 4.420 nan 0.000 0.281 56 P C 0.099 177.193 177.300 -0.344 0.000 1.252 56 P CA -0.387 62.294 63.100 -0.698 0.000 0.778 56 P CB 1.613 32.873 31.700 -0.732 0.000 0.895 57 K N 1.831 122.030 120.400 -0.334 0.000 2.211 57 K HA -0.073 4.246 4.320 -0.002 0.000 0.203 57 K C 0.493 176.997 176.600 -0.159 0.000 1.050 57 K CA 1.253 57.443 56.287 -0.163 0.000 0.945 57 K CB 0.297 32.730 32.500 -0.111 0.000 0.732 57 K HN 0.519 nan 8.250 nan 0.000 0.451 58 E N -0.094 119.970 120.200 -0.228 0.000 2.335 58 E HA 0.208 4.557 4.350 -0.002 0.000 0.280 58 E C -1.710 174.766 176.600 -0.207 0.000 0.918 58 E CA -0.714 55.579 56.400 -0.178 0.000 0.765 58 E CB 1.447 31.055 29.700 -0.153 0.000 1.218 58 E HN 0.180 nan 8.360 nan 0.000 0.425 59 I N 1.502 121.983 120.570 -0.149 0.000 2.362 59 I HA 0.560 4.730 4.170 -0.002 0.000 0.289 59 I C -0.960 175.091 176.117 -0.110 0.000 0.994 59 I CA -0.399 60.823 61.300 -0.130 0.000 1.158 59 I CB 1.074 39.020 38.000 -0.090 0.000 1.315 59 I HN 0.344 nan 8.210 nan 0.000 0.451 60 I N 5.400 125.895 120.570 -0.124 0.000 2.389 60 I HA 0.335 4.505 4.170 -0.002 0.000 0.288 60 I C -0.276 175.793 176.117 -0.080 0.000 0.999 60 I CA -0.707 60.528 61.300 -0.108 0.000 1.129 60 I CB 1.687 39.595 38.000 -0.153 0.000 1.288 60 I HN 0.571 nan 8.210 nan 0.000 0.444 61 E N 6.312 126.477 120.200 -0.058 0.000 2.129 61 E HA 0.143 4.492 4.350 -0.002 0.000 0.283 61 E C -0.491 176.104 176.600 -0.007 0.000 1.080 61 E CA -0.318 56.052 56.400 -0.050 0.000 0.867 61 E CB 1.413 31.078 29.700 -0.058 0.000 1.056 61 E HN 0.251 nan 8.360 nan 0.000 0.404 62 V N 4.855 124.780 119.914 0.019 0.000 2.403 62 V HA -0.010 4.109 4.120 -0.002 0.000 0.265 62 V C 1.404 177.608 176.094 0.183 0.000 1.034 62 V CA 0.422 62.787 62.300 0.108 0.000 1.036 62 V CB 0.199 32.132 31.823 0.183 0.000 1.032 62 V HN 0.553 nan 8.190 nan 0.000 0.478 63 K N 2.689 123.161 120.400 0.121 0.000 2.354 63 K HA 0.185 4.504 4.320 -0.002 0.000 0.194 63 K C 0.168 176.785 176.600 0.027 0.000 1.045 63 K CA 0.091 56.435 56.287 0.096 0.000 1.026 63 K CB 0.351 32.874 32.500 0.038 0.000 0.866 63 K HN 0.603 nan 8.250 nan 0.000 0.530 64 N N 1.946 120.605 118.700 -0.067 0.000 2.399 64 N HA 0.136 4.875 4.740 -0.002 0.000 0.295 64 N C -1.346 173.841 175.510 -0.538 0.000 1.048 64 N CA -0.523 52.363 53.050 -0.273 0.000 0.886 64 N CB 1.262 39.575 38.487 -0.290 0.000 1.185 64 N HN -0.008 nan 8.380 nan 0.000 0.487 65 K N -0.820 119.263 120.400 -0.529 0.000 2.468 65 K HA 0.558 4.877 4.320 -0.002 0.000 0.252 65 K C -1.348 175.112 176.600 -0.232 0.000 0.932 65 K CA -0.774 55.166 56.287 -0.579 0.000 0.794 65 K CB 1.502 33.370 32.500 -1.053 0.000 1.241 65 K HN 0.198 nan 8.250 nan 0.000 0.428 66 T N 2.399 116.954 114.554 0.001 0.000 2.874 66 T HA 0.441 4.790 4.350 -0.002 0.000 0.321 66 T C 0.632 175.295 174.700 -0.062 0.000 1.075 66 T CA 0.542 62.657 62.100 0.024 0.000 0.966 66 T CB 0.833 69.737 68.868 0.060 0.000 1.001 66 T HN 0.975 nan 8.240 nan 0.000 0.476 67 G N 4.814 113.570 108.800 -0.072 0.000 2.574 67 G HA2 -0.319 3.640 3.960 -0.002 0.000 0.301 67 G HA3 -0.319 3.640 3.960 -0.002 0.000 0.301 67 G C 0.377 175.230 174.900 -0.078 0.000 1.166 67 G CA 0.484 45.557 45.100 -0.045 0.000 0.971 67 G HN 0.771 nan 8.290 nan 0.000 0.542 68 D N 0.486 120.898 120.400 0.021 0.000 2.388 68 D HA 0.332 4.971 4.640 -0.002 0.000 0.221 68 D C 0.670 177.030 176.300 0.101 0.000 1.133 68 D CA -0.189 53.859 54.000 0.080 0.000 0.831 68 D CB 0.168 41.179 40.800 0.351 0.000 0.962 68 D HN 0.460 nan 8.370 nan 0.000 0.502 69 I N 1.193 121.753 120.570 -0.017 0.000 2.330 69 I HA 0.279 4.448 4.170 -0.002 0.000 0.289 69 I C -0.334 175.759 176.117 -0.040 0.000 1.001 69 I CA -1.235 60.096 61.300 0.052 0.000 1.193 69 I CB -0.092 37.900 38.000 -0.014 0.000 1.345 69 I HN -0.061 nan 8.210 nan 0.000 0.461 70 W N 6.145 127.463 121.300 0.030 0.000 2.238 70 W HA 0.424 5.083 4.660 -0.002 0.000 0.321 70 W C 0.409 176.967 176.519 0.066 0.000 1.293 70 W CA 0.206 57.530 57.345 -0.036 0.000 1.204 70 W CB 0.171 29.602 29.460 -0.048 0.000 1.167 70 W HN 0.569 nan 8.180 nan 0.000 0.553 71 H N -0.599 118.615 119.070 0.241 0.000 3.046 71 H HA 0.784 5.339 4.556 -0.002 0.000 0.363 71 H C -1.841 173.614 175.328 0.211 0.000 1.203 71 H CA -1.480 54.690 56.048 0.203 0.000 1.169 71 H CB 1.579 31.399 29.762 0.098 0.000 1.851 71 H HN 0.384 nan 8.280 nan 0.000 0.546 72 V N 3.122 123.250 119.914 0.356 0.000 2.969 72 V HA 0.460 4.579 4.120 -0.002 0.000 0.304 72 V C -1.776 174.545 176.094 0.378 0.000 1.192 72 V CA -0.915 61.561 62.300 0.293 0.000 0.962 72 V CB 1.954 33.880 31.823 0.172 0.000 1.045 72 V HN 0.809 nan 8.190 nan 0.000 0.428 73 F N 6.374 126.439 119.950 0.191 0.000 2.415 73 F HA 0.763 5.289 4.527 -0.002 0.000 0.348 73 F C -0.498 175.396 175.800 0.157 0.000 1.119 73 F CA -0.372 57.733 58.000 0.175 0.000 1.069 73 F CB 1.660 40.725 39.000 0.107 0.000 1.124 73 F HN 0.331 nan 8.300 nan 0.000 0.472 74 V N 7.942 127.576 119.914 -0.467 0.000 2.334 74 V HA 0.364 4.483 4.120 -0.002 0.000 0.281 74 V C -2.285 173.468 176.094 -0.569 0.000 1.016 74 V CA -2.008 60.103 62.300 -0.315 0.000 0.832 74 V CB 1.092 32.853 31.823 -0.104 0.000 0.999 74 V HN 0.632 nan 8.190 nan 0.000 0.439 75 P HA 0.390 nan 4.420 nan 0.000 0.275 75 P C 1.022 178.308 177.300 -0.023 0.000 1.227 75 P CA 0.898 63.974 63.100 -0.040 0.000 0.781 75 P CB 1.181 32.980 31.700 0.166 0.000 0.906 76 G N 1.386 110.202 108.800 0.027 0.000 2.284 76 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.230 76 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.230 76 G C -0.016 174.895 174.900 0.019 0.000 1.021 76 G CA -0.336 44.783 45.100 0.033 0.000 0.619 76 G HN 0.453 nan 8.290 nan 0.000 0.510 77 L N 1.735 122.955 121.223 -0.005 0.000 2.452 77 L HA 0.632 4.971 4.340 -0.002 0.000 0.267 77 L C 1.211 178.085 176.870 0.006 0.000 1.188 77 L CA -0.158 54.680 54.840 -0.003 0.000 0.821 77 L CB 0.541 42.611 42.059 0.018 0.000 1.102 77 L HN 0.610 nan 8.230 nan 0.000 0.470 78 R N 0.940 121.389 120.500 -0.086 0.000 2.810 78 R HA 0.575 4.914 4.340 -0.002 0.000 0.266 78 R C -2.961 173.102 176.300 -0.396 0.000 1.061 78 R CA -2.186 53.735 56.100 -0.299 0.000 0.943 78 R CB 0.171 30.217 30.300 -0.423 0.000 1.237 78 R HN 0.168 nan 8.270 nan 0.000 0.459 79 P HA -0.027 nan 4.420 nan 0.000 0.263 79 P C 0.559 177.709 177.300 -0.249 0.000 1.168 79 P CA 2.027 64.838 63.100 -0.481 0.000 0.759 79 P CB 0.342 31.679 31.700 -0.605 0.000 0.782 80 G N 1.373 110.101 108.800 -0.120 0.000 2.259 80 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.217 80 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.217 80 G C 0.273 175.167 174.900 -0.009 0.000 1.001 80 G CA -0.122 44.942 45.100 -0.060 0.000 0.627 80 G HN 0.673 nan 8.290 nan 0.000 0.501 81 Q N 1.232 121.035 119.800 0.005 0.000 2.300 81 Q HA 0.537 4.876 4.340 -0.002 0.000 0.280 81 Q C 0.256 176.360 176.000 0.173 0.000 1.033 81 Q CA 0.246 56.094 55.803 0.075 0.000 0.903 81 Q CB 0.288 29.075 28.738 0.083 0.000 1.195 81 Q HN 0.466 nan 8.270 nan 0.000 0.386 82 L N 6.748 128.066 121.223 0.159 0.000 2.264 82 L HA 0.453 4.792 4.340 -0.002 0.000 0.289 82 L C -0.592 176.447 176.870 0.282 0.000 1.044 82 L CA -0.873 54.063 54.840 0.160 0.000 0.807 82 L CB 0.133 42.228 42.059 0.061 0.000 1.192 82 L HN 0.778 nan 8.230 nan 0.000 0.425 83 Y N 2.373 122.706 120.300 0.055 0.000 2.638 83 Y HA 0.956 5.506 4.550 -0.001 0.000 0.339 83 Y C -0.697 175.188 175.900 -0.025 0.000 1.084 83 Y CA -1.057 57.059 58.100 0.027 0.000 1.068 83 Y CB 1.808 40.207 38.460 -0.102 0.000 1.294 83 Y HN 0.535 nan 8.280 nan 0.000 0.480 84 A N 0.721 123.499 122.820 -0.070 0.000 2.588 84 A HA 0.757 5.076 4.320 -0.002 0.000 0.290 84 A C -2.391 175.111 177.584 -0.137 0.000 1.136 84 A CA -0.967 50.973 52.037 -0.161 0.000 0.681 84 A CB 0.987 19.937 19.000 -0.084 0.000 1.282 84 A HN 0.795 nan 8.150 nan 0.000 0.421 85 Y N -0.358 119.953 120.300 0.020 0.000 2.587 85 Y HA 0.735 5.284 4.550 -0.002 0.000 0.337 85 Y C 0.605 176.498 175.900 -0.010 0.000 1.065 85 Y CA -0.403 57.708 58.100 0.018 0.000 1.126 85 Y CB 2.052 40.523 38.460 0.019 0.000 1.279 85 Y HN 0.653 nan 8.280 nan 0.000 0.489 86 R N 1.145 121.756 120.500 0.185 0.000 2.532 86 R HA 0.662 5.001 4.340 -0.002 0.000 0.297 86 R C -1.982 174.359 176.300 0.069 0.000 0.984 86 R CA -0.739 55.405 56.100 0.073 0.000 0.884 86 R CB 1.876 32.210 30.300 0.057 0.000 1.182 86 R HN 0.407 nan 8.270 nan 0.000 0.442 87 V N 4.591 124.497 119.914 -0.013 0.000 2.448 87 V HA 0.403 4.523 4.120 -0.002 0.000 0.295 87 V C -0.954 175.113 176.094 -0.044 0.000 1.025 87 V CA -0.889 61.414 62.300 0.005 0.000 0.859 87 V CB 1.267 33.126 31.823 0.059 0.000 0.988 87 V HN 0.582 nan 8.190 nan 0.000 0.431 88 Y N 2.410 122.618 120.300 -0.155 0.000 2.387 88 Y HA 0.884 5.433 4.550 -0.001 0.000 0.330 88 Y C 0.826 176.488 175.900 -0.396 0.000 1.133 88 Y CA -0.031 57.987 58.100 -0.137 0.000 1.152 88 Y CB 2.077 40.466 38.460 -0.118 0.000 1.215 88 Y HN 0.887 nan 8.280 nan 0.000 0.466 89 G N 1.432 110.139 108.800 -0.155 0.000 2.313 89 G HA2 0.356 4.315 3.960 -0.002 0.000 0.296 89 G HA3 0.356 4.315 3.960 -0.002 0.000 0.296 89 G C -3.373 171.602 174.900 0.125 0.000 1.356 89 G CA -1.286 43.561 45.100 -0.422 0.000 0.833 89 G HN 0.275 nan 8.290 nan 0.000 0.552 90 P HA 0.269 nan 4.420 nan 0.000 0.268 90 P C -1.194 176.310 177.300 0.340 0.000 1.208 90 P CA 0.158 63.425 63.100 0.279 0.000 0.777 90 P CB 0.360 32.193 31.700 0.221 0.000 0.875 91 Y N 1.991 122.348 120.300 0.094 0.000 2.837 91 Y HA 0.302 4.851 4.550 -0.002 0.000 0.356 91 Y C -0.174 175.720 175.900 -0.010 0.000 1.035 91 Y CA -0.322 57.750 58.100 -0.046 0.000 1.165 91 Y CB 0.401 38.634 38.460 -0.379 0.000 1.147 91 Y HN 0.132 nan 8.280 nan 0.000 0.628 92 K N 5.707 126.007 120.400 -0.166 0.000 2.606 92 K HA 0.248 4.567 4.320 -0.002 0.000 0.196 92 K C -2.316 174.165 176.600 -0.198 0.000 1.048 92 K CA -1.670 54.557 56.287 -0.100 0.000 1.017 92 K CB 1.113 33.614 32.500 0.002 0.000 1.413 92 K HN 0.290 nan 8.250 nan 0.000 0.568 93 P HA -0.226 nan 4.420 nan 0.000 0.225 93 P C 0.839 178.078 177.300 -0.101 0.000 1.148 93 P CA 1.158 64.092 63.100 -0.278 0.000 0.779 93 P CB 0.333 31.865 31.700 -0.280 0.000 0.780 94 E N 0.116 120.285 120.200 -0.051 0.000 2.347 94 E HA -0.091 4.258 4.350 -0.002 0.000 0.196 94 E C 1.368 177.955 176.600 -0.021 0.000 1.008 94 E CA 0.702 57.096 56.400 -0.011 0.000 0.852 94 E CB -0.783 28.925 29.700 0.013 0.000 0.783 94 E HN 0.251 nan 8.360 nan 0.000 0.505 95 L N 0.095 121.297 121.223 -0.036 0.000 2.607 95 L HA 0.306 4.645 4.340 -0.002 0.000 0.228 95 L C 1.620 178.462 176.870 -0.047 0.000 1.123 95 L CA 0.939 55.764 54.840 -0.025 0.000 0.890 95 L CB 0.547 42.605 42.059 -0.002 0.000 1.103 95 L HN 0.383 nan 8.230 nan 0.000 0.468 96 G N -0.487 108.262 108.800 -0.084 0.000 2.253 96 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.251 96 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.251 96 G C 0.423 175.241 174.900 -0.137 0.000 0.998 96 G CA 0.048 45.078 45.100 -0.117 0.000 0.621 96 G HN 0.209 nan 8.290 nan 0.000 0.524 97 L N 1.537 122.686 121.223 -0.124 0.000 2.456 97 L HA 0.417 4.756 4.340 -0.002 0.000 0.277 97 L C 1.326 178.016 176.870 -0.300 0.000 1.124 97 L CA 0.372 55.127 54.840 -0.142 0.000 0.880 97 L CB 0.400 42.474 42.059 0.024 0.000 1.192 97 L HN 0.471 nan 8.230 nan 0.000 0.463 98 R N 2.905 123.177 120.500 -0.381 0.000 2.638 98 R HA 0.301 4.640 4.340 -0.002 0.000 0.269 98 R C -1.171 175.084 176.300 -0.076 0.000 1.393 98 R CA -0.568 55.290 56.100 -0.403 0.000 1.531 98 R CB -0.146 29.933 30.300 -0.369 0.000 1.327 98 R HN 0.192 nan 8.270 nan 0.000 0.709 99 F N 1.697 121.722 119.950 0.125 0.000 2.472 99 F HA 0.240 4.766 4.527 -0.001 0.000 0.364 99 F C 0.589 176.467 175.800 0.129 0.000 1.090 99 F CA -0.072 58.000 58.000 0.119 0.000 1.188 99 F CB 1.142 40.191 39.000 0.083 0.000 1.105 99 F HN 0.379 nan 8.300 nan 0.000 0.536 100 N N 5.117 123.956 118.700 0.232 0.000 2.617 100 N HA 0.260 4.999 4.740 -0.002 0.000 0.263 100 N C -2.147 173.367 175.510 0.006 0.000 1.074 100 N CA -1.678 51.446 53.050 0.123 0.000 0.841 100 N CB 1.431 39.987 38.487 0.114 0.000 1.221 100 N HN 0.160 nan 8.380 nan 0.000 0.529 101 P HA -0.130 nan 4.420 nan 0.000 0.216 101 P C 0.628 177.815 177.300 -0.189 0.000 1.150 101 P CA 1.059 63.920 63.100 -0.398 0.000 0.837 101 P CB 0.258 31.437 31.700 -0.868 0.000 0.786 102 N N -0.495 118.149 118.700 -0.093 0.000 2.334 102 N HA -0.124 4.615 4.740 -0.002 0.000 0.187 102 N C 0.285 175.778 175.510 -0.028 0.000 1.016 102 N CA 1.263 54.283 53.050 -0.050 0.000 0.879 102 N CB -0.531 37.944 38.487 -0.021 0.000 0.965 102 N HN 0.234 nan 8.380 nan 0.000 0.438 103 K N 0.304 120.693 120.400 -0.018 0.000 2.211 103 K HA 0.349 4.668 4.320 -0.002 0.000 0.275 103 K C -0.597 175.990 176.600 -0.021 0.000 1.024 103 K CA -0.412 55.869 56.287 -0.010 0.000 0.887 103 K CB 1.970 34.475 32.500 0.008 0.000 1.084 103 K HN -0.259 nan 8.250 nan 0.000 0.463 104 V N 5.336 125.233 119.914 -0.028 0.000 2.461 104 V HA 0.308 4.427 4.120 -0.002 0.000 0.275 104 V C -0.100 175.961 176.094 -0.055 0.000 1.047 104 V CA -0.655 61.627 62.300 -0.029 0.000 0.955 104 V CB 0.304 32.102 31.823 -0.041 0.000 0.988 104 V HN 0.532 nan 8.190 nan 0.000 0.471 105 L N 5.451 126.657 121.223 -0.029 0.000 2.334 105 L HA 0.623 4.962 4.340 -0.002 0.000 0.273 105 L C -0.374 176.449 176.870 -0.079 0.000 1.013 105 L CA -0.739 54.066 54.840 -0.058 0.000 0.816 105 L CB 1.760 43.803 42.059 -0.026 0.000 1.278 105 L HN 0.389 nan 8.230 nan 0.000 0.431 106 I N 0.634 121.109 120.570 -0.158 0.000 2.638 106 I HA 0.077 4.246 4.170 -0.002 0.000 0.286 106 I C 0.293 176.337 176.117 -0.121 0.000 1.088 106 I CA 0.005 61.193 61.300 -0.187 0.000 1.397 106 I CB 0.389 38.243 38.000 -0.244 0.000 1.414 106 I HN 0.494 nan 8.210 nan 0.000 0.566 107 D N 6.802 127.182 120.400 -0.032 0.000 2.339 107 D HA 0.140 4.779 4.640 -0.002 0.000 0.256 107 D C -1.788 174.535 176.300 0.038 0.000 1.214 107 D CA -2.093 51.985 54.000 0.130 0.000 0.877 107 D CB 1.225 42.222 40.800 0.328 0.000 1.111 107 D HN 0.175 nan 8.370 nan 0.000 0.478 108 P HA -0.137 nan 4.420 nan 0.000 0.220 108 P C 0.222 177.688 177.300 0.276 0.000 1.144 108 P CA 1.119 64.313 63.100 0.157 0.000 0.800 108 P CB -0.009 31.924 31.700 0.388 0.000 0.772 109 Y N -1.586 118.749 120.300 0.060 0.000 2.507 109 Y HA 0.431 4.980 4.550 -0.001 0.000 0.254 109 Y C 1.128 176.861 175.900 -0.279 0.000 1.171 109 Y CA -0.722 57.202 58.100 -0.293 0.000 1.238 109 Y CB -0.490 37.810 38.460 -0.266 0.000 1.148 109 Y HN -0.200 nan 8.280 nan 0.000 0.525 110 A N 0.472 123.314 122.820 0.037 0.000 2.546 110 A HA 0.050 4.369 4.320 -0.002 0.000 0.243 110 A C 1.086 178.628 177.584 -0.070 0.000 1.063 110 A CA 0.002 52.046 52.037 0.012 0.000 0.757 110 A CB 0.344 19.313 19.000 -0.052 0.000 0.991 110 A HN 0.377 nan 8.150 nan 0.000 0.503 111 K N 0.719 121.073 120.400 -0.076 0.000 2.393 111 K HA 0.423 4.742 4.320 -0.002 0.000 0.193 111 K C 0.180 176.753 176.600 -0.045 0.000 1.026 111 K CA 1.132 57.351 56.287 -0.113 0.000 1.064 111 K CB 0.559 33.007 32.500 -0.086 0.000 0.833 111 K HN 0.849 nan 8.250 nan 0.000 0.521 112 A N 0.368 123.160 122.820 -0.047 0.000 2.566 112 A HA 0.658 4.977 4.320 -0.002 0.000 0.297 112 A C -1.441 176.048 177.584 -0.159 0.000 1.059 112 A CA -0.690 51.307 52.037 -0.065 0.000 0.691 112 A CB 0.998 19.993 19.000 -0.008 0.000 1.282 112 A HN 0.084 nan 8.150 nan 0.000 0.401 113 I N 1.398 121.805 120.570 -0.271 0.000 2.689 113 I HA 0.363 4.532 4.170 -0.002 0.000 0.299 113 I C 0.094 176.060 176.117 -0.251 0.000 1.059 113 I CA -0.508 60.547 61.300 -0.408 0.000 1.055 113 I CB 2.373 39.850 38.000 -0.873 0.000 1.243 113 I HN 0.737 nan 8.210 nan 0.000 0.425 114 N N 4.368 122.949 118.700 -0.197 0.000 2.801 114 N HA 0.413 5.152 4.740 -0.002 0.000 0.235 114 N C -0.048 175.414 175.510 -0.079 0.000 1.069 114 N CA 0.292 53.276 53.050 -0.109 0.000 0.946 114 N CB 0.667 39.084 38.487 -0.117 0.000 1.212 114 N HN 0.929 nan 8.380 nan 0.000 0.509 115 G N 1.049 109.850 108.800 0.002 0.000 2.728 115 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.294 115 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.294 115 G C -0.595 174.314 174.900 0.015 0.000 1.342 115 G CA -0.645 44.451 45.100 -0.006 0.000 0.866 115 G HN 0.478 nan 8.290 nan 0.000 0.534 116 S N -2.064 113.604 115.700 -0.054 0.000 2.707 116 S HA 0.625 5.094 4.470 -0.002 0.000 0.276 116 S C 0.746 175.274 174.600 -0.119 0.000 1.179 116 S CA 0.047 58.197 58.200 -0.084 0.000 0.992 116 S CB 1.174 64.313 63.200 -0.102 0.000 1.030 116 S HN 1.403 nan 8.310 nan 0.000 0.554 117 V N 4.163 123.955 119.914 -0.204 0.000 2.479 117 V HA 0.165 4.285 4.120 -0.002 0.000 0.281 117 V C 0.016 175.913 176.094 -0.328 0.000 1.031 117 V CA -0.293 61.800 62.300 -0.344 0.000 1.038 117 V CB 0.171 31.609 31.823 -0.643 0.000 0.981 117 V HN 0.571 nan 8.190 nan 0.000 0.478 118 I N 4.949 125.424 120.570 -0.159 0.000 2.347 118 I HA 0.160 4.329 4.170 -0.002 0.000 0.294 118 I C 0.370 176.462 176.117 -0.041 0.000 1.090 118 I CA -0.535 60.754 61.300 -0.019 0.000 1.314 118 I CB -0.185 37.874 38.000 0.098 0.000 1.423 118 I HN 0.666 nan 8.210 nan 0.000 0.503 119 W N 6.692 127.993 121.300 0.001 0.000 2.148 119 W HA 0.140 4.799 4.660 -0.001 0.000 0.347 119 W C 0.793 177.205 176.519 -0.179 0.000 1.288 119 W CA 0.533 57.835 57.345 -0.071 0.000 1.252 119 W CB 0.367 29.814 29.460 -0.022 0.000 1.156 119 W HN 0.568 nan 8.180 nan 0.000 0.580 120 N N 0.256 119.008 118.700 0.087 0.000 4.059 120 N HA -0.003 4.736 4.740 -0.002 0.000 0.212 120 N C -0.277 175.199 175.510 -0.057 0.000 1.159 120 N CA -0.521 52.410 53.050 -0.199 0.000 0.967 120 N CB 0.805 38.728 38.487 -0.940 0.000 1.589 120 N HN 0.253 nan 8.380 nan 0.000 0.549 121 D N 0.955 121.329 120.400 -0.044 0.000 2.322 121 D HA -0.087 4.552 4.640 -0.002 0.000 0.210 121 D C 1.380 177.699 176.300 0.033 0.000 0.983 121 D CA 1.483 55.493 54.000 0.017 0.000 0.902 121 D CB -0.038 40.727 40.800 -0.059 0.000 0.905 121 D HN 0.537 nan 8.370 nan 0.000 0.483 122 A N 0.013 122.768 122.820 -0.109 0.000 2.081 122 A HA 0.013 4.332 4.320 -0.002 0.000 0.214 122 A C 2.247 179.802 177.584 -0.048 0.000 1.158 122 A CA 0.707 52.704 52.037 -0.067 0.000 0.724 122 A CB -0.270 18.716 19.000 -0.024 0.000 0.826 122 A HN 0.225 nan 8.150 nan 0.000 0.463 123 V N -3.374 116.454 119.914 -0.143 0.000 2.913 123 V HA 0.062 4.181 4.120 -0.002 0.000 0.260 123 V C 0.957 176.887 176.094 -0.274 0.000 1.098 123 V CA 0.440 62.600 62.300 -0.232 0.000 1.121 123 V CB -1.369 30.204 31.823 -0.416 0.000 0.714 123 V HN 0.220 nan 8.190 nan 0.000 0.487 124 F N 1.302 121.206 119.950 -0.077 0.000 2.380 124 F HA 0.680 5.206 4.527 -0.002 0.000 0.325 124 F C 1.601 177.341 175.800 -0.099 0.000 1.136 124 F CA 0.203 58.129 58.000 -0.123 0.000 1.171 124 F CB 0.973 39.704 39.000 -0.448 0.000 1.230 124 F HN -0.012 nan 8.300 nan 0.000 0.554 125 G N 0.875 109.820 108.800 0.241 0.000 3.284 125 G HA2 0.177 4.136 3.960 -0.002 0.000 0.236 125 G HA3 0.177 4.136 3.960 -0.002 0.000 0.236 125 G C -0.827 174.259 174.900 0.309 0.000 1.158 125 G CA 0.095 45.344 45.100 0.248 0.000 0.774 125 G HN 0.603 nan 8.290 nan 0.000 0.545 126 Y N -2.835 117.583 120.300 0.197 0.000 2.562 126 Y HA 0.645 5.194 4.550 -0.002 0.000 0.345 126 Y C -0.241 175.716 175.900 0.095 0.000 1.045 126 Y CA -2.017 56.171 58.100 0.147 0.000 1.028 126 Y CB 1.067 39.615 38.460 0.147 0.000 1.297 126 Y HN -0.216 nan 8.280 nan 0.000 0.463 127 K N 3.217 123.684 120.400 0.113 0.000 2.315 127 K HA 0.065 4.384 4.320 -0.002 0.000 0.281 127 K C 0.650 177.220 176.600 -0.050 0.000 1.086 127 K CA 0.243 56.532 56.287 0.004 0.000 1.042 127 K CB 0.054 32.589 32.500 0.057 0.000 0.949 127 K HN 0.730 nan 8.250 nan 0.000 0.450 128 I N 0.629 121.035 120.570 -0.273 0.000 2.367 128 I HA -0.216 3.953 4.170 -0.002 0.000 0.256 128 I C 1.051 177.111 176.117 -0.096 0.000 1.132 128 I CA 0.938 62.012 61.300 -0.377 0.000 1.397 128 I CB -0.662 37.092 38.000 -0.410 0.000 1.074 128 I HN 0.446 nan 8.210 nan 0.000 0.435 129 G N 0.246 109.021 108.800 -0.041 0.000 2.702 129 G HA2 0.615 4.574 3.960 -0.002 0.000 0.295 129 G HA3 0.615 4.574 3.960 -0.002 0.000 0.295 129 G C -1.248 173.667 174.900 0.025 0.000 1.446 129 G CA -0.232 44.862 45.100 -0.010 0.000 0.983 129 G HN 0.113 nan 8.290 nan 0.000 0.520 130 D N 0.331 120.757 120.400 0.042 0.000 2.808 130 D HA 0.031 4.670 4.640 -0.002 0.000 0.294 130 D C 0.341 176.668 176.300 0.046 0.000 1.278 130 D CA -0.451 53.580 54.000 0.052 0.000 0.756 130 D CB 1.440 42.289 40.800 0.083 0.000 1.271 130 D HN 0.208 nan 8.370 nan 0.000 0.425 131 Q N 0.167 119.995 119.800 0.047 0.000 2.020 131 Q HA -0.001 4.338 4.340 -0.002 0.000 0.198 131 Q C 0.481 176.509 176.000 0.046 0.000 0.974 131 Q CA 1.490 57.318 55.803 0.041 0.000 0.829 131 Q CB -0.473 28.290 28.738 0.041 0.000 0.894 131 Q HN 0.320 nan 8.270 nan 0.000 0.433 132 N N 1.212 119.947 118.700 0.059 0.000 2.714 132 N HA 0.112 4.851 4.740 -0.002 0.000 0.298 132 N C -0.817 174.721 175.510 0.046 0.000 1.298 132 N CA -0.106 52.980 53.050 0.060 0.000 1.007 132 N CB 0.365 38.898 38.487 0.078 0.000 1.318 132 N HN 0.133 nan 8.380 nan 0.000 0.516 133 Q N 1.535 121.344 119.800 0.015 0.000 2.859 133 Q HA -0.173 4.166 4.340 -0.002 0.000 0.364 133 Q C -0.039 175.793 176.000 -0.280 0.000 1.067 133 Q CA 1.288 57.030 55.803 -0.102 0.000 1.162 133 Q CB 0.078 28.730 28.738 -0.143 0.000 1.023 133 Q HN 0.701 nan 8.270 nan 0.000 0.415 134 D N 0.614 120.742 120.400 -0.454 0.000 2.954 134 D HA -0.210 4.429 4.640 -0.002 0.000 0.200 134 D C -0.457 175.835 176.300 -0.013 0.000 1.022 134 D CA 1.319 55.091 54.000 -0.380 0.000 1.003 134 D CB -1.312 39.246 40.800 -0.403 0.000 1.073 134 D HN 0.486 nan 8.370 nan 0.000 0.438 135 L N -0.612 120.661 121.223 0.083 0.000 2.840 135 L HA 0.371 4.710 4.340 -0.002 0.000 0.249 135 L C 1.226 178.278 176.870 0.304 0.000 1.119 135 L CA 0.468 55.408 54.840 0.167 0.000 0.930 135 L CB 0.843 42.976 42.059 0.124 0.000 1.295 135 L HN 0.269 nan 8.230 nan 0.000 0.534 136 T N -0.669 114.059 114.554 0.290 0.000 2.910 136 T HA 0.169 4.518 4.350 -0.002 0.000 0.293 136 T C -1.000 173.872 174.700 0.288 0.000 1.015 136 T CA -0.086 62.185 62.100 0.285 0.000 1.094 136 T CB 0.438 69.435 68.868 0.215 0.000 0.968 136 T HN -0.026 nan 8.240 nan 0.000 0.521 137 Y N 5.011 125.312 120.300 0.002 0.000 2.535 137 Y HA 0.285 4.834 4.550 -0.002 0.000 0.349 137 Y C 0.512 176.330 175.900 -0.138 0.000 0.992 137 Y CA -1.808 56.133 58.100 -0.266 0.000 1.248 137 Y CB -0.010 38.271 38.460 -0.298 0.000 1.124 137 Y HN 0.677 nan 8.280 nan 0.000 0.520 138 D N 3.522 124.046 120.400 0.206 0.000 2.341 138 D HA 0.023 4.662 4.640 -0.002 0.000 0.245 138 D C 0.268 176.585 176.300 0.028 0.000 1.106 138 D CA 0.159 54.209 54.000 0.084 0.000 0.905 138 D CB 1.220 42.050 40.800 0.049 0.000 1.202 138 D HN 0.595 nan 8.370 nan 0.000 0.426 139 E N 2.094 122.265 120.200 -0.048 0.000 2.372 139 E HA 0.024 4.373 4.350 -0.002 0.000 0.201 139 E C 0.242 176.813 176.600 -0.049 0.000 0.938 139 E CA 0.001 56.339 56.400 -0.103 0.000 0.944 139 E CB 0.351 29.979 29.700 -0.121 0.000 0.937 139 E HN 0.310 nan 8.360 nan 0.000 0.495 140 R N 2.198 122.688 120.500 -0.015 0.000 2.538 140 R HA 0.025 4.364 4.340 -0.002 0.000 0.282 140 R C -0.063 176.250 176.300 0.021 0.000 1.009 140 R CA 0.125 56.231 56.100 0.011 0.000 1.063 140 R CB 0.027 30.345 30.300 0.030 0.000 0.945 140 R HN -0.019 nan 8.270 nan 0.000 0.414 141 D N 0.086 120.494 120.400 0.013 0.000 2.382 141 D HA 0.050 4.689 4.640 -0.002 0.000 0.240 141 D C -0.013 176.337 176.300 0.082 0.000 1.146 141 D CA 0.438 54.437 54.000 -0.003 0.000 0.897 141 D CB 0.795 41.547 40.800 -0.080 0.000 1.197 141 D HN 0.412 nan 8.370 nan 0.000 0.432 142 S N 0.870 116.606 115.700 0.059 0.000 2.603 142 S HA 0.200 4.669 4.470 -0.002 0.000 0.232 142 S C 1.791 176.409 174.600 0.029 0.000 1.016 142 S CA -0.106 58.191 58.200 0.162 0.000 0.976 142 S CB 0.905 64.145 63.200 0.067 0.000 0.921 142 S HN 0.646 nan 8.310 nan 0.000 0.516 143 G N 3.332 112.073 108.800 -0.097 0.000 2.681 143 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.220 143 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.220 143 G C 1.169 175.883 174.900 -0.310 0.000 1.210 143 G CA 1.499 46.498 45.100 -0.168 0.000 0.783 143 G HN 0.630 nan 8.290 nan 0.000 0.609 144 E N -0.157 119.758 120.200 -0.475 0.000 2.097 144 E HA -0.219 4.130 4.350 -0.002 0.000 0.196 144 E C 2.298 178.601 176.600 -0.495 0.000 1.000 144 E CA 1.618 57.688 56.400 -0.550 0.000 0.804 144 E CB -0.438 28.808 29.700 -0.757 0.000 0.740 144 E HN 0.751 nan 8.360 nan 0.000 0.454 145 Y N 1.398 121.617 120.300 -0.134 0.000 2.184 145 Y HA -0.014 4.535 4.550 -0.002 0.000 0.290 145 Y C 1.428 177.196 175.900 -0.220 0.000 1.129 145 Y CA -0.095 57.906 58.100 -0.164 0.000 1.144 145 Y CB -0.397 37.965 38.460 -0.163 0.000 0.995 145 Y HN -0.206 nan 8.280 nan 0.000 0.513 146 V N 4.205 124.067 119.914 -0.086 0.000 2.450 146 V HA 0.016 4.135 4.120 -0.002 0.000 0.281 146 V C -2.074 173.882 176.094 -0.229 0.000 1.019 146 V CA -1.738 60.459 62.300 -0.173 0.000 1.062 146 V CB -0.020 31.705 31.823 -0.164 0.000 0.979 146 V HN 0.017 nan 8.190 nan 0.000 0.477 147 P HA 0.170 nan 4.420 nan 0.000 0.268 147 P C -0.638 176.489 177.300 -0.289 0.000 1.208 147 P CA -0.231 62.731 63.100 -0.231 0.000 0.777 147 P CB 0.571 32.160 31.700 -0.185 0.000 0.875 148 K N 0.987 121.201 120.400 -0.310 0.000 2.138 148 K HA 0.417 4.736 4.320 -0.002 0.000 0.263 148 K C -0.093 176.302 176.600 -0.343 0.000 0.965 148 K CA -0.338 55.735 56.287 -0.357 0.000 0.868 148 K CB 0.750 33.019 32.500 -0.385 0.000 1.083 148 K HN 0.289 nan 8.250 nan 0.000 0.443 149 S N 0.995 116.410 115.700 -0.476 0.000 2.549 149 S HA 0.227 4.696 4.470 -0.002 0.000 0.279 149 S C -0.313 174.048 174.600 -0.397 0.000 1.321 149 S CA -0.844 57.025 58.200 -0.551 0.000 1.054 149 S CB 0.605 63.254 63.200 -0.918 0.000 0.899 149 S HN 0.258 nan 8.310 nan 0.000 0.497 150 V N 3.794 123.643 119.914 -0.109 0.000 2.409 150 V HA 0.238 4.357 4.120 -0.002 0.000 0.291 150 V C 0.016 176.239 176.094 0.214 0.000 1.020 150 V CA -0.874 61.469 62.300 0.072 0.000 0.848 150 V CB 1.581 33.402 31.823 -0.002 0.000 0.990 150 V HN 0.716 nan 8.190 nan 0.000 0.430 151 V N 6.825 126.913 119.914 0.290 0.000 2.540 151 V HA 0.110 4.229 4.120 -0.002 0.000 0.297 151 V C 0.254 176.378 176.094 0.050 0.000 1.024 151 V CA 0.394 62.779 62.300 0.142 0.000 1.105 151 V CB 0.324 32.163 31.823 0.027 0.000 0.938 151 V HN 0.799 nan 8.190 nan 0.000 0.482 152 I N 2.861 123.469 120.570 0.064 0.000 3.076 152 I HA 0.635 4.804 4.170 -0.002 0.000 0.313 152 I C 0.008 176.174 176.117 0.082 0.000 1.053 152 I CA -0.896 60.441 61.300 0.061 0.000 1.048 152 I CB 1.637 39.692 38.000 0.091 0.000 1.264 152 I HN 0.555 nan 8.210 nan 0.000 0.498 153 N N 1.795 120.553 118.700 0.096 0.000 2.678 153 N HA 0.376 5.115 4.740 -0.002 0.000 0.231 153 N C -2.356 173.313 175.510 0.265 0.000 1.038 153 N CA -2.068 51.083 53.050 0.168 0.000 0.932 153 N CB 0.400 38.949 38.487 0.103 0.000 1.176 153 N HN 0.464 nan 8.380 nan 0.000 0.511 154 P HA -0.114 nan 4.420 nan 0.000 0.214 154 P C 0.181 177.669 177.300 0.313 0.000 1.162 154 P CA 0.700 63.979 63.100 0.299 0.000 0.879 154 P CB -0.084 31.792 31.700 0.294 0.000 0.786 155 Y N 0.823 121.266 120.300 0.238 0.000 2.904 155 Y HA 0.140 4.689 4.550 -0.002 0.000 0.336 155 Y C -0.213 175.830 175.900 0.238 0.000 1.263 155 Y CA 0.243 58.471 58.100 0.215 0.000 1.547 155 Y CB -0.223 38.339 38.460 0.170 0.000 1.272 155 Y HN -0.107 nan 8.280 nan 0.000 0.596 156 F N 5.341 124.821 119.950 -0.784 0.000 2.650 156 F HA 0.273 4.799 4.527 -0.002 0.000 0.310 156 F C -1.375 173.872 175.800 -0.922 0.000 1.112 156 F CA -1.047 56.472 58.000 -0.801 0.000 0.986 156 F CB 1.240 39.905 39.000 -0.557 0.000 1.285 156 F HN 0.544 nan 8.300 nan 0.000 0.440 157 E N 4.826 124.317 120.200 -1.182 0.000 2.044 157 E HA 0.211 4.560 4.350 -0.002 0.000 0.282 157 E C -1.766 174.606 176.600 -0.380 0.000 1.031 157 E CA -0.445 55.581 56.400 -0.624 0.000 0.824 157 E CB 0.655 30.068 29.700 -0.478 0.000 1.076 157 E HN 0.486 nan 8.360 nan 0.000 0.395 158 W N 3.355 124.665 121.300 0.018 0.000 2.433 158 W HA 0.210 4.869 4.660 -0.002 0.000 0.315 158 W C 0.591 177.132 176.519 0.036 0.000 1.087 158 W CA -0.532 56.841 57.345 0.046 0.000 1.205 158 W CB 1.100 30.498 29.460 -0.102 0.000 1.288 158 W HN 0.551 nan 8.180 nan 0.000 0.504 159 D N -0.630 119.924 120.400 0.257 0.000 2.417 159 D HA -0.122 4.517 4.640 -0.002 0.000 0.207 159 D C 0.984 177.414 176.300 0.216 0.000 1.075 159 D CA 0.263 54.373 54.000 0.184 0.000 0.851 159 D CB -0.486 40.379 40.800 0.110 0.000 0.976 159 D HN 0.375 nan 8.370 nan 0.000 0.505 160 D N 1.946 122.522 120.400 0.294 0.000 2.379 160 D HA -0.193 4.446 4.640 -0.002 0.000 0.243 160 D C 1.397 177.874 176.300 0.295 0.000 1.088 160 D CA 0.209 54.407 54.000 0.329 0.000 0.925 160 D CB -0.474 40.593 40.800 0.444 0.000 0.888 160 D HN 0.634 nan 8.370 nan 0.000 0.529 161 E N 1.104 121.443 120.200 0.231 0.000 2.253 161 E HA -0.296 4.053 4.350 -0.002 0.000 0.202 161 E C 0.541 177.224 176.600 0.137 0.000 1.014 161 E CA 1.404 57.903 56.400 0.166 0.000 0.823 161 E CB -0.296 29.487 29.700 0.139 0.000 0.736 161 E HN 0.274 nan 8.360 nan 0.000 0.478 162 D N 0.053 120.551 120.400 0.164 0.000 2.149 162 D HA -0.104 4.535 4.640 -0.002 0.000 0.201 162 D C 1.601 178.015 176.300 0.191 0.000 0.972 162 D CA 0.895 54.984 54.000 0.149 0.000 0.835 162 D CB -0.307 40.579 40.800 0.143 0.000 0.966 162 D HN 0.290 nan 8.370 nan 0.000 0.476 163 F N 0.995 120.995 119.950 0.083 0.000 2.656 163 F HA 0.209 4.735 4.527 -0.002 0.000 0.291 163 F C 1.920 177.762 175.800 0.069 0.000 1.122 163 F CA -0.101 57.935 58.000 0.059 0.000 1.427 163 F CB 0.011 39.044 39.000 0.054 0.000 1.125 163 F HN -0.240 nan 8.300 nan 0.000 0.583 164 I N 0.220 120.787 120.570 -0.005 0.000 2.099 164 I HA -0.241 3.928 4.170 -0.002 0.000 0.239 164 I C 0.883 176.882 176.117 -0.197 0.000 1.066 164 I CA 1.550 62.782 61.300 -0.114 0.000 1.324 164 I CB -0.264 37.728 38.000 -0.012 0.000 1.037 164 I HN -0.147 nan 8.210 nan 0.000 0.401 165 K N 0.082 120.420 120.400 -0.103 0.000 2.463 165 K HA 0.417 4.737 4.320 -0.002 0.000 0.255 165 K C -0.102 176.470 176.600 -0.048 0.000 0.942 165 K CA -0.177 56.054 56.287 -0.094 0.000 0.814 165 K CB 2.007 34.469 32.500 -0.063 0.000 1.122 165 K HN 0.143 nan 8.250 nan 0.000 0.425 166 G N 2.153 110.921 108.800 -0.054 0.000 2.560 166 G HA2 0.081 4.040 3.960 -0.002 0.000 0.212 166 G HA3 0.081 4.040 3.960 -0.002 0.000 0.212 166 G C -0.615 174.201 174.900 -0.140 0.000 2.038 166 G CA -0.208 44.836 45.100 -0.093 0.000 0.728 166 G HN 0.335 nan 8.290 nan 0.000 0.784 167 K N 2.334 122.689 120.400 -0.075 0.000 2.405 167 K HA 0.153 4.472 4.320 -0.002 0.000 0.276 167 K C 0.004 176.544 176.600 -0.102 0.000 1.099 167 K CA 0.383 56.629 56.287 -0.068 0.000 1.120 167 K CB 0.092 32.580 32.500 -0.020 0.000 0.877 167 K HN 0.247 nan 8.250 nan 0.000 0.472 168 K N 1.525 121.810 120.400 -0.192 0.000 2.234 168 K HA 0.145 4.464 4.320 -0.002 0.000 0.282 168 K C -0.288 176.312 176.600 0.000 0.000 1.039 168 K CA -0.765 55.399 56.287 -0.204 0.000 0.928 168 K CB 1.592 33.876 32.500 -0.359 0.000 1.039 168 K HN 0.296 nan 8.250 nan 0.000 0.470 169 V N 6.251 126.240 119.914 0.124 0.000 2.699 169 V HA -0.078 4.041 4.120 -0.002 0.000 0.296 169 V C -2.160 173.951 176.094 0.027 0.000 1.030 169 V CA -0.728 61.614 62.300 0.070 0.000 1.219 169 V CB -0.250 31.617 31.823 0.074 0.000 0.848 169 V HN 0.607 nan 8.190 nan 0.000 0.468 170 P HA 0.137 nan 4.420 nan 0.000 0.272 170 P C 0.725 178.020 177.300 -0.008 0.000 1.240 170 P CA -0.350 62.736 63.100 -0.023 0.000 0.791 170 P CB 0.566 32.227 31.700 -0.064 0.000 0.978 171 L N 0.404 121.623 121.223 -0.007 0.000 2.127 171 L HA -0.190 4.149 4.340 -0.002 0.000 0.211 171 L C 2.166 179.067 176.870 0.052 0.000 1.089 171 L CA 1.981 56.846 54.840 0.042 0.000 0.757 171 L CB -1.285 40.819 42.059 0.074 0.000 0.899 171 L HN 0.377 nan 8.230 nan 0.000 0.434 172 K N 0.022 120.383 120.400 -0.066 0.000 1.987 172 K HA -0.190 4.129 4.320 -0.002 0.000 0.216 172 K C 1.683 178.305 176.600 0.037 0.000 1.051 172 K CA 1.861 58.126 56.287 -0.036 0.000 0.942 172 K CB -0.376 32.005 32.500 -0.199 0.000 0.722 172 K HN 0.313 nan 8.250 nan 0.000 0.444 173 D N 0.588 120.968 120.400 -0.032 0.000 2.378 173 D HA -0.048 4.591 4.640 -0.002 0.000 0.222 173 D C 0.200 176.492 176.300 -0.012 0.000 0.980 173 D CA 0.667 54.623 54.000 -0.074 0.000 0.907 173 D CB -0.140 40.615 40.800 -0.075 0.000 0.899 173 D HN 0.179 nan 8.370 nan 0.000 0.527 174 T N 0.770 115.364 114.554 0.068 0.000 2.930 174 T HA 0.229 4.578 4.350 -0.002 0.000 0.306 174 T C 0.288 175.102 174.700 0.190 0.000 1.045 174 T CA -0.108 62.055 62.100 0.105 0.000 1.134 174 T CB 1.872 70.801 68.868 0.101 0.000 0.961 174 T HN -0.249 nan 8.240 nan 0.000 0.545 175 V N 4.723 124.732 119.914 0.158 0.000 2.525 175 V HA 0.480 4.600 4.120 -0.002 0.000 0.299 175 V C -0.108 176.071 176.094 0.140 0.000 1.034 175 V CA -1.063 61.344 62.300 0.179 0.000 0.863 175 V CB 1.281 33.215 31.823 0.186 0.000 0.999 175 V HN 0.852 nan 8.190 nan 0.000 0.423 176 I N 3.256 123.905 120.570 0.133 0.000 2.498 176 I HA 0.669 4.838 4.170 -0.002 0.000 0.301 176 I C -1.224 175.001 176.117 0.181 0.000 0.984 176 I CA -0.319 61.065 61.300 0.140 0.000 1.204 176 I CB 1.508 39.576 38.000 0.113 0.000 1.362 176 I HN 0.633 nan 8.210 nan 0.000 0.471 177 Y N 5.162 125.489 120.300 0.045 0.000 2.426 177 Y HA 0.413 4.962 4.550 -0.001 0.000 0.325 177 Y C -0.422 175.506 175.900 0.046 0.000 0.989 177 Y CA -0.625 57.506 58.100 0.052 0.000 1.284 177 Y CB 0.917 39.401 38.460 0.040 0.000 1.104 177 Y HN 0.758 nan 8.280 nan 0.000 0.481 178 E N 5.125 125.269 120.200 -0.094 0.000 2.223 178 E HA 0.440 4.789 4.350 -0.002 0.000 0.282 178 E C -1.653 174.922 176.600 -0.042 0.000 1.046 178 E CA -0.321 56.068 56.400 -0.019 0.000 0.857 178 E CB 1.117 30.840 29.700 0.039 0.000 1.055 178 E HN 0.478 nan 8.360 nan 0.000 0.409 179 V N 6.346 126.274 119.914 0.023 0.000 2.711 179 V HA 0.160 4.279 4.120 -0.002 0.000 0.304 179 V C -1.012 175.082 176.094 0.000 0.000 1.097 179 V CA -0.790 61.554 62.300 0.074 0.000 0.906 179 V CB 1.669 33.523 31.823 0.052 0.000 1.015 179 V HN 0.802 nan 8.190 nan 0.000 0.427 180 H N 4.913 123.970 119.070 -0.022 0.000 2.652 180 H HA 0.339 4.894 4.556 -0.001 0.000 0.349 180 H C 0.581 175.799 175.328 -0.184 0.000 1.099 180 H CA 0.946 56.915 56.048 -0.131 0.000 1.417 180 H CB 2.179 31.917 29.762 -0.039 0.000 1.457 180 H HN 0.524 nan 8.280 nan 0.000 0.568 181 V N 5.424 125.228 119.914 -0.183 0.000 2.255 181 V HA -0.192 3.927 4.120 -0.002 0.000 0.243 181 V C 2.705 178.755 176.094 -0.073 0.000 1.038 181 V CA 2.123 64.304 62.300 -0.198 0.000 1.008 181 V CB -0.538 30.998 31.823 -0.478 0.000 0.645 181 V HN 0.697 nan 8.190 nan 0.000 0.449 182 K N 0.874 121.223 120.400 -0.084 0.000 1.978 182 K HA -0.164 4.155 4.320 -0.002 0.000 0.214 182 K C 2.232 178.810 176.600 -0.037 0.000 1.049 182 K CA 2.013 58.268 56.287 -0.052 0.000 0.939 182 K CB -0.997 31.551 32.500 0.080 0.000 0.721 182 K HN 0.409 nan 8.250 nan 0.000 0.441 183 G N 0.622 109.484 108.800 0.103 0.000 2.503 183 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.221 183 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.221 183 G C 1.338 176.147 174.900 -0.151 0.000 1.131 183 G CA 0.987 46.209 45.100 0.203 0.000 0.756 183 G HN 0.427 nan 8.290 nan 0.000 0.572 184 F N 2.461 122.078 119.950 -0.554 0.000 2.126 184 F HA -0.058 4.468 4.527 -0.002 0.000 0.299 184 F C 2.244 177.988 175.800 -0.094 0.000 1.096 184 F CA 2.059 59.664 58.000 -0.659 0.000 1.255 184 F CB -0.154 38.660 39.000 -0.310 0.000 0.997 184 F HN 0.219 nan 8.300 nan 0.000 0.479 185 T N -3.361 111.085 114.554 -0.180 0.000 3.604 185 T HA 0.212 4.561 4.350 -0.002 0.000 0.305 185 T C 0.948 175.504 174.700 -0.239 0.000 0.978 185 T CA -0.245 61.656 62.100 -0.332 0.000 0.999 185 T CB 0.302 68.907 68.868 -0.438 0.000 1.204 185 T HN 0.065 nan 8.240 nan 0.000 0.476 186 K N 1.996 122.271 120.400 -0.207 0.000 1.973 186 K HA 0.249 4.568 4.320 -0.002 0.000 0.210 186 K C 1.255 177.733 176.600 -0.203 0.000 1.045 186 K CA 1.189 57.270 56.287 -0.343 0.000 0.937 186 K CB -0.611 31.404 32.500 -0.808 0.000 0.721 186 K HN 0.429 nan 8.250 nan 0.000 0.438 187 L N 1.446 122.665 121.223 -0.006 0.000 2.779 187 L HA 0.210 4.549 4.340 -0.002 0.000 0.239 187 L C -0.028 176.878 176.870 0.062 0.000 1.245 187 L CA -0.271 54.633 54.840 0.107 0.000 1.064 187 L CB -0.010 42.222 42.059 0.288 0.000 1.350 187 L HN 0.016 nan 8.230 nan 0.000 0.455 188 R N 0.480 120.878 120.500 -0.171 0.000 2.565 188 R HA 0.219 4.558 4.340 -0.002 0.000 0.286 188 R C 0.745 176.887 176.300 -0.263 0.000 1.256 188 R CA 0.029 55.876 56.100 -0.422 0.000 1.238 188 R CB -0.068 29.726 30.300 -0.843 0.000 1.153 188 R HN 0.278 nan 8.270 nan 0.000 0.553 189 L N 1.126 122.262 121.223 -0.146 0.000 2.093 189 L HA -0.119 4.220 4.340 -0.002 0.000 0.208 189 L C 0.746 177.553 176.870 -0.104 0.000 1.085 189 L CA 1.288 56.073 54.840 -0.092 0.000 0.755 189 L CB -0.322 41.716 42.059 -0.034 0.000 0.904 189 L HN 0.591 nan 8.230 nan 0.000 0.435 190 D N 0.333 120.659 120.400 -0.124 0.000 2.801 190 D HA 0.156 4.795 4.640 -0.002 0.000 0.249 190 D C -0.196 176.026 176.300 -0.131 0.000 1.273 190 D CA 0.552 54.484 54.000 -0.113 0.000 0.953 190 D CB -0.442 40.290 40.800 -0.113 0.000 1.134 190 D HN 0.159 nan 8.370 nan 0.000 0.449 191 L N -1.223 119.924 121.223 -0.127 0.000 2.591 191 L HA 0.354 4.693 4.340 -0.002 0.000 0.257 191 L C -2.474 174.338 176.870 -0.097 0.000 0.935 191 L CA -2.306 52.462 54.840 -0.120 0.000 0.873 191 L CB 2.466 44.426 42.059 -0.163 0.000 1.397 191 L HN -0.218 nan 8.230 nan 0.000 0.414 192 P HA -0.029 nan 4.420 nan 0.000 0.270 192 P C -0.104 177.159 177.300 -0.062 0.000 1.216 192 P CA 0.002 63.067 63.100 -0.058 0.000 0.788 192 P CB 0.411 32.084 31.700 -0.046 0.000 0.883 193 E N 1.235 121.406 120.200 -0.049 0.000 2.494 193 E HA -0.068 4.281 4.350 -0.002 0.000 0.193 193 E C 0.633 177.204 176.600 -0.049 0.000 1.074 193 E CA 0.426 56.796 56.400 -0.050 0.000 0.867 193 E CB -0.417 29.262 29.700 -0.035 0.000 0.924 193 E HN 0.590 nan 8.360 nan 0.000 0.502 194 N N 0.854 119.527 118.700 -0.046 0.000 2.193 194 N HA 0.016 4.755 4.740 -0.002 0.000 0.210 194 N C 1.826 177.311 175.510 -0.041 0.000 1.215 194 N CA 0.058 53.085 53.050 -0.038 0.000 0.901 194 N CB -0.064 38.408 38.487 -0.024 0.000 1.060 194 N HN 0.220 nan 8.380 nan 0.000 0.508 195 I N -1.633 118.907 120.570 -0.050 0.000 3.860 195 I HA 0.292 4.461 4.170 -0.002 0.000 0.319 195 I C 0.188 176.257 176.117 -0.080 0.000 1.279 195 I CA -0.416 60.854 61.300 -0.050 0.000 1.220 195 I CB 0.036 38.012 38.000 -0.041 0.000 1.027 195 I HN -0.214 nan 8.210 nan 0.000 0.428 196 R N 2.684 123.122 120.500 -0.104 0.000 2.399 196 R HA 0.343 4.682 4.340 -0.002 0.000 0.324 196 R C 0.857 177.065 176.300 -0.153 0.000 1.030 196 R CA 0.915 56.927 56.100 -0.146 0.000 0.984 196 R CB 0.195 30.398 30.300 -0.161 0.000 0.961 196 R HN 0.589 nan 8.270 nan 0.000 0.433 197 G N 2.166 110.876 108.800 -0.150 0.000 2.204 197 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.244 197 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.244 197 G C 0.001 174.852 174.900 -0.082 0.000 1.062 197 G CA 0.242 45.263 45.100 -0.132 0.000 0.798 197 G HN 0.703 nan 8.290 nan 0.000 0.496 198 T N -3.809 110.695 114.554 -0.082 0.000 2.887 198 T HA 0.665 5.014 4.350 -0.002 0.000 0.292 198 T C 1.054 175.717 174.700 -0.060 0.000 1.087 198 T CA -0.209 61.823 62.100 -0.113 0.000 1.009 198 T CB 1.453 70.284 68.868 -0.062 0.000 1.203 198 T HN 0.190 nan 8.240 nan 0.000 0.518 199 Y N 0.284 120.657 120.300 0.121 0.000 2.081 199 Y HA -0.124 4.425 4.550 -0.002 0.000 0.280 199 Y C 2.827 178.735 175.900 0.014 0.000 1.163 199 Y CA 1.604 59.737 58.100 0.055 0.000 1.135 199 Y CB -0.270 38.246 38.460 0.093 0.000 0.970 199 Y HN 0.704 nan 8.280 nan 0.000 0.498 200 E N -0.088 120.216 120.200 0.174 0.000 2.150 200 E HA -0.131 4.218 4.350 -0.002 0.000 0.193 200 E C 2.468 179.095 176.600 0.044 0.000 0.985 200 E CA 0.605 57.060 56.400 0.092 0.000 0.814 200 E CB -0.367 29.380 29.700 0.080 0.000 0.752 200 E HN 0.575 nan 8.360 nan 0.000 0.466 201 G N 1.839 110.652 108.800 0.022 0.000 2.480 201 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.216 201 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.216 201 G C 1.545 176.451 174.900 0.009 0.000 1.200 201 G CA 0.608 45.695 45.100 -0.022 0.000 0.782 201 G HN 0.251 nan 8.290 nan 0.000 0.554 202 L N 0.636 121.914 121.223 0.093 0.000 2.263 202 L HA 0.003 4.342 4.340 -0.002 0.000 0.216 202 L C 2.582 179.564 176.870 0.186 0.000 1.111 202 L CA 1.619 56.609 54.840 0.250 0.000 0.773 202 L CB -0.033 42.163 42.059 0.228 0.000 0.906 202 L HN 0.274 nan 8.230 nan 0.000 0.439 203 A N -1.352 121.524 122.820 0.093 0.000 2.390 203 A HA 0.211 4.530 4.320 -0.002 0.000 0.232 203 A C 1.058 178.664 177.584 0.037 0.000 1.233 203 A CA 0.328 52.403 52.037 0.063 0.000 0.907 203 A CB -0.303 18.722 19.000 0.042 0.000 0.967 203 A HN 0.498 nan 8.150 nan 0.000 0.512 204 S N 0.407 116.115 115.700 0.015 0.000 2.542 204 S HA -0.052 4.417 4.470 -0.002 0.000 0.287 204 S C 0.470 175.066 174.600 -0.006 0.000 1.315 204 S CA 0.347 58.538 58.200 -0.016 0.000 1.037 204 S CB 0.286 63.447 63.200 -0.064 0.000 0.822 204 S HN 0.485 nan 8.310 nan 0.000 0.513 205 E N 1.067 121.259 120.200 -0.012 0.000 2.511 205 E HA -0.104 4.246 4.350 -0.002 0.000 0.196 205 E C 1.756 178.354 176.600 -0.004 0.000 1.066 205 E CA 0.484 56.883 56.400 -0.002 0.000 0.871 205 E CB -0.070 29.627 29.700 -0.004 0.000 0.863 205 E HN 0.784 nan 8.360 nan 0.000 0.520 206 Q N -0.348 119.434 119.800 -0.029 0.000 2.297 206 Q HA 0.050 4.389 4.340 -0.002 0.000 0.203 206 Q C 1.076 177.062 176.000 -0.023 0.000 0.931 206 Q CA 0.273 56.050 55.803 -0.043 0.000 0.885 206 Q CB -0.176 28.500 28.738 -0.104 0.000 0.991 206 Q HN 0.140 nan 8.270 nan 0.000 0.498 207 M N 0.384 119.968 119.600 -0.028 0.000 1.878 207 M HA 0.187 4.666 4.480 -0.002 0.000 0.236 207 M C 1.449 177.829 176.300 0.135 0.000 1.315 207 M CA -0.403 54.965 55.300 0.114 0.000 0.986 207 M CB -0.082 32.609 32.600 0.153 0.000 1.324 207 M HN 0.214 nan 8.290 nan 0.000 0.474 208 I N -2.271 118.397 120.570 0.163 0.000 4.624 208 I HA -0.536 3.633 4.170 -0.002 0.000 0.049 208 I C 1.719 177.859 176.117 0.038 0.000 0.621 208 I CA 1.726 63.066 61.300 0.067 0.000 0.836 208 I CB -1.540 36.484 38.000 0.040 0.000 0.765 208 I HN 0.831 nan 8.210 nan 0.000 0.159 209 S N 0.136 115.868 115.700 0.053 0.000 2.402 209 S HA -0.216 4.253 4.470 -0.002 0.000 0.229 209 S C 1.631 176.277 174.600 0.076 0.000 1.021 209 S CA 1.643 59.869 58.200 0.043 0.000 0.974 209 S CB -0.752 62.472 63.200 0.041 0.000 0.800 209 S HN 0.675 nan 8.310 nan 0.000 0.484 210 Y N 2.281 122.598 120.300 0.027 0.000 2.114 210 Y HA -0.009 4.540 4.550 -0.002 0.000 0.284 210 Y C 2.033 177.978 175.900 0.076 0.000 1.143 210 Y CA 1.562 59.704 58.100 0.070 0.000 1.135 210 Y CB -0.312 38.208 38.460 0.099 0.000 0.980 210 Y HN 0.181 nan 8.280 nan 0.000 0.499 211 L N 0.421 121.507 121.223 -0.228 0.000 2.072 211 L HA -0.147 4.192 4.340 -0.002 0.000 0.205 211 L C 2.564 179.269 176.870 -0.274 0.000 1.079 211 L CA 1.566 56.181 54.840 -0.374 0.000 0.752 211 L CB -0.541 41.424 42.059 -0.156 0.000 0.906 211 L HN 0.122 nan 8.230 nan 0.000 0.436 212 K N 0.091 120.398 120.400 -0.156 0.000 2.147 212 K HA -0.248 4.071 4.320 -0.002 0.000 0.205 212 K C 1.740 178.266 176.600 -0.123 0.000 1.049 212 K CA 1.691 57.904 56.287 -0.123 0.000 0.936 212 K CB -0.001 32.449 32.500 -0.083 0.000 0.722 212 K HN 0.149 nan 8.250 nan 0.000 0.446 213 D N 0.279 120.597 120.400 -0.136 0.000 2.183 213 D HA -0.136 4.503 4.640 -0.002 0.000 0.203 213 D C 1.740 177.945 176.300 -0.158 0.000 0.969 213 D CA 0.528 54.461 54.000 -0.111 0.000 0.842 213 D CB 0.088 40.856 40.800 -0.054 0.000 0.957 213 D HN 0.211 nan 8.370 nan 0.000 0.484 214 L N -0.469 120.575 121.223 -0.298 0.000 2.217 214 L HA 0.195 4.534 4.340 -0.002 0.000 0.211 214 L C 1.618 178.397 176.870 -0.152 0.000 1.107 214 L CA 1.859 56.533 54.840 -0.276 0.000 0.783 214 L CB -0.160 41.606 42.059 -0.488 0.000 0.919 214 L HN 0.235 nan 8.230 nan 0.000 0.442 215 G N -0.346 108.367 108.800 -0.145 0.000 2.159 215 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.227 215 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.227 215 G C 0.269 175.138 174.900 -0.052 0.000 0.986 215 G CA 0.160 45.208 45.100 -0.086 0.000 0.651 215 G HN 0.695 nan 8.290 nan 0.000 0.523 216 I N -0.583 119.946 120.570 -0.067 0.000 2.519 216 I HA 0.731 4.900 4.170 -0.002 0.000 0.287 216 I C 1.168 177.258 176.117 -0.044 0.000 1.047 216 I CA 0.396 61.688 61.300 -0.013 0.000 1.381 216 I CB 1.351 39.366 38.000 0.024 0.000 1.417 216 I HN 0.136 nan 8.210 nan 0.000 0.540 217 T N 0.333 114.885 114.554 -0.003 0.000 3.010 217 T HA 0.271 4.620 4.350 -0.002 0.000 0.257 217 T C 0.584 175.283 174.700 -0.002 0.000 1.020 217 T CA 0.060 62.147 62.100 -0.023 0.000 0.938 217 T CB -0.326 68.535 68.868 -0.012 0.000 1.049 217 T HN 0.702 nan 8.240 nan 0.000 0.522 218 T N 1.878 116.452 114.554 0.034 0.000 2.921 218 T HA 0.608 4.957 4.350 -0.002 0.000 0.297 218 T C -0.953 173.791 174.700 0.074 0.000 1.013 218 T CA -0.530 61.599 62.100 0.049 0.000 0.990 218 T CB 2.436 71.344 68.868 0.067 0.000 1.023 218 T HN -0.015 nan 8.240 nan 0.000 0.447 219 V N 2.935 122.877 119.914 0.047 0.000 2.398 219 V HA 0.446 4.565 4.120 -0.002 0.000 0.286 219 V C 0.143 176.260 176.094 0.039 0.000 1.026 219 V CA -0.632 61.704 62.300 0.060 0.000 0.868 219 V CB 1.566 33.378 31.823 -0.018 0.000 0.982 219 V HN 0.855 nan 8.190 nan 0.000 0.443 220 E N 4.642 124.875 120.200 0.055 0.000 2.149 220 E HA 0.380 4.729 4.350 -0.002 0.000 0.255 220 E C -1.337 175.239 176.600 -0.040 0.000 0.888 220 E CA -0.766 55.638 56.400 0.006 0.000 0.742 220 E CB 1.317 31.044 29.700 0.044 0.000 1.164 220 E HN 0.487 nan 8.360 nan 0.000 0.422 221 L N 4.113 125.284 121.223 -0.086 0.000 2.416 221 L HA 0.215 4.554 4.340 -0.002 0.000 0.272 221 L C 0.902 177.640 176.870 -0.221 0.000 1.161 221 L CA 0.495 55.254 54.840 -0.135 0.000 0.845 221 L CB 0.586 42.589 42.059 -0.093 0.000 1.119 221 L HN 0.586 nan 8.230 nan 0.000 0.464 222 M N 3.889 123.303 119.600 -0.311 0.000 2.219 222 M HA 0.146 4.625 4.480 -0.002 0.000 0.307 222 M C -1.873 174.130 176.300 -0.493 0.000 1.116 222 M CA -1.358 53.646 55.300 -0.493 0.000 1.181 222 M CB 0.010 32.242 32.600 -0.613 0.000 1.410 222 M HN 0.339 nan 8.290 nan 0.000 0.454 223 P HA -0.116 nan 4.420 nan 0.000 0.263 223 P C 0.052 177.271 177.300 -0.135 0.000 1.162 223 P CA 0.499 63.287 63.100 -0.519 0.000 0.758 223 P CB 0.116 31.389 31.700 -0.712 0.000 0.773 224 V N 0.174 120.052 119.914 -0.060 0.000 3.276 224 V HA 0.349 4.468 4.120 -0.002 0.000 0.319 224 V C -0.219 176.076 176.094 0.335 0.000 1.476 224 V CA -0.030 62.427 62.300 0.262 0.000 1.097 224 V CB -0.578 31.460 31.823 0.358 0.000 0.988 224 V HN 0.080 nan 8.190 nan 0.000 0.473 225 F N 2.504 122.434 119.950 -0.034 0.000 2.413 225 F HA 0.448 4.974 4.527 -0.001 0.000 0.359 225 F C 1.082 176.966 175.800 0.140 0.000 1.122 225 F CA -1.295 56.702 58.000 -0.006 0.000 1.160 225 F CB -0.372 38.542 39.000 -0.143 0.000 1.146 225 F HN 0.269 nan 8.300 nan 0.000 0.514 226 H N 5.757 124.928 119.070 0.169 0.000 3.218 226 H HA -0.135 4.420 4.556 -0.001 0.000 0.259 226 H C -0.679 174.647 175.328 -0.003 0.000 0.834 226 H CA 0.812 56.842 56.048 -0.030 0.000 1.424 226 H CB -0.169 29.552 29.762 -0.069 0.000 1.405 226 H HN 0.472 nan 8.280 nan 0.000 0.520 227 F N 4.301 124.202 119.950 -0.082 0.000 2.561 227 F HA 0.508 5.034 4.527 -0.001 0.000 0.321 227 F C -0.279 175.513 175.800 -0.013 0.000 1.065 227 F CA -1.462 56.534 58.000 -0.007 0.000 0.934 227 F CB 0.707 39.718 39.000 0.019 0.000 1.215 227 F HN 0.285 nan 8.300 nan 0.000 0.471 228 I N -1.153 119.583 120.570 0.277 0.000 3.660 228 I HA 0.607 4.776 4.170 -0.002 0.000 0.285 228 I C -0.841 175.523 176.117 0.412 0.000 1.266 228 I CA -0.789 60.634 61.300 0.205 0.000 0.987 228 I CB 1.377 39.449 38.000 0.120 0.000 1.417 228 I HN 0.486 nan 8.210 nan 0.000 0.590 229 D N 1.115 121.764 120.400 0.414 0.000 2.185 229 D HA 0.283 4.922 4.640 -0.002 0.000 0.247 229 D C -1.020 175.649 176.300 0.615 0.000 1.027 229 D CA -0.232 54.070 54.000 0.504 0.000 0.861 229 D CB 1.861 42.943 40.800 0.469 0.000 1.202 229 D HN 0.460 nan 8.370 nan 0.000 0.453 230 Q N 1.325 121.391 119.800 0.442 0.000 2.296 230 Q HA 0.131 4.470 4.340 -0.002 0.000 0.262 230 Q C 1.194 177.302 176.000 0.181 0.000 0.981 230 Q CA -0.092 55.926 55.803 0.357 0.000 0.905 230 Q CB 1.562 30.476 28.738 0.294 0.000 1.186 230 Q HN 0.396 nan 8.270 nan 0.000 0.399 231 R N 2.467 122.901 120.500 -0.110 0.000 2.223 231 R HA -0.270 4.069 4.340 -0.002 0.000 0.229 231 R C 0.046 176.144 176.300 -0.337 0.000 1.105 231 R CA 2.040 57.615 56.100 -0.875 0.000 0.880 231 R CB -0.174 29.455 30.300 -1.120 0.000 0.853 231 R HN 0.713 nan 8.270 nan 0.000 0.429 232 F N -1.331 118.464 119.950 -0.257 0.000 2.935 232 F HA -0.257 4.269 4.527 -0.002 0.000 0.317 232 F C 0.899 176.696 175.800 -0.005 0.000 0.699 232 F CA 1.427 59.347 58.000 -0.133 0.000 1.127 232 F CB -1.609 37.279 39.000 -0.187 0.000 1.491 232 F HN 0.526 nan 8.300 nan 0.000 0.337 233 L N -3.475 117.857 121.223 0.182 0.000 2.406 233 L HA 0.203 4.542 4.340 -0.002 0.000 0.228 233 L C 1.871 178.782 176.870 0.068 0.000 1.081 233 L CA 0.684 55.613 54.840 0.149 0.000 1.089 233 L CB -0.543 41.620 42.059 0.175 0.000 2.191 233 L HN -0.057 nan 8.230 nan 0.000 0.520 234 T N -1.973 112.627 114.554 0.077 0.000 2.795 234 T HA -0.255 4.094 4.350 -0.002 0.000 0.266 234 T C 1.143 175.856 174.700 0.022 0.000 1.056 234 T CA 2.128 64.268 62.100 0.066 0.000 1.141 234 T CB -1.143 67.799 68.868 0.123 0.000 0.840 234 T HN 0.484 nan 8.240 nan 0.000 0.493 235 D N 1.514 121.907 120.400 -0.012 0.000 2.311 235 D HA -0.014 4.625 4.640 -0.002 0.000 0.212 235 D C 1.815 178.102 176.300 -0.022 0.000 0.972 235 D CA 0.885 54.867 54.000 -0.031 0.000 0.887 235 D CB -0.201 40.556 40.800 -0.072 0.000 0.915 235 D HN 0.615 nan 8.370 nan 0.000 0.497 236 K N -0.591 119.798 120.400 -0.018 0.000 2.404 236 K HA 0.236 4.555 4.320 -0.002 0.000 0.194 236 K C 1.072 177.643 176.600 -0.048 0.000 1.023 236 K CA 0.381 56.641 56.287 -0.045 0.000 1.094 236 K CB 0.651 33.104 32.500 -0.078 0.000 0.841 236 K HN 0.078 nan 8.250 nan 0.000 0.523 237 G N 1.636 110.424 108.800 -0.021 0.000 2.147 237 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.244 237 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.244 237 G C -0.295 174.593 174.900 -0.020 0.000 1.005 237 G CA -0.068 45.025 45.100 -0.011 0.000 0.713 237 G HN 0.098 nan 8.290 nan 0.000 0.515 238 L N 0.594 121.802 121.223 -0.026 0.000 2.330 238 L HA 0.830 5.169 4.340 -0.002 0.000 0.271 238 L C 0.711 177.603 176.870 0.036 0.000 1.013 238 L CA -0.211 54.605 54.840 -0.039 0.000 0.816 238 L CB 2.220 44.201 42.059 -0.130 0.000 1.287 238 L HN 0.346 nan 8.230 nan 0.000 0.435 239 T N -2.001 112.596 114.554 0.071 0.000 2.807 239 T HA 0.358 4.707 4.350 -0.002 0.000 0.279 239 T C -0.022 174.802 174.700 0.207 0.000 0.993 239 T CA -0.889 61.315 62.100 0.172 0.000 0.970 239 T CB 0.959 69.962 68.868 0.225 0.000 0.950 239 T HN 0.398 nan 8.240 nan 0.000 0.441 240 N N 1.976 120.836 118.700 0.266 0.000 2.047 240 N HA -0.117 4.622 4.740 -0.002 0.000 0.292 240 N C -0.169 175.597 175.510 0.427 0.000 1.356 240 N CA 0.384 53.630 53.050 0.325 0.000 0.836 240 N CB -0.186 38.540 38.487 0.398 0.000 1.113 240 N HN 0.842 nan 8.380 nan 0.000 0.495 241 Y N 4.142 124.600 120.300 0.263 0.000 2.559 241 Y HA 0.301 4.851 4.550 -0.001 0.000 0.279 241 Y C -0.046 176.254 175.900 0.667 0.000 1.117 241 Y CA -0.159 58.198 58.100 0.428 0.000 1.263 241 Y CB 0.093 38.723 38.460 0.284 0.000 1.230 241 Y HN 0.385 nan 8.280 nan 0.000 0.528 242 W N 1.436 122.892 121.300 0.260 0.000 2.170 242 W HA 0.430 5.089 4.660 -0.002 0.000 0.336 242 W C 1.307 177.628 176.519 -0.330 0.000 1.283 242 W CA -0.553 56.827 57.345 0.059 0.000 1.224 242 W CB 0.345 30.049 29.460 0.407 0.000 1.132 242 W HN 0.216 nan 8.180 nan 0.000 0.571 243 G N 1.120 109.599 108.800 -0.534 0.000 3.284 243 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.236 243 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.236 243 G C -0.096 174.384 174.900 -0.700 0.000 1.158 243 G CA -0.248 44.188 45.100 -1.108 0.000 0.774 243 G HN 0.457 nan 8.290 nan 0.000 0.545 244 Y N 1.106 121.313 120.300 -0.155 0.000 3.040 244 Y HA 0.238 4.787 4.550 -0.002 0.000 0.392 244 Y C 0.543 176.494 175.900 0.084 0.000 1.105 244 Y CA -0.207 57.883 58.100 -0.017 0.000 1.950 244 Y CB 0.347 38.867 38.460 0.099 0.000 2.014 244 Y HN 0.100 nan 8.280 nan 0.000 0.433 245 D N 1.199 121.663 120.400 0.106 0.000 3.407 245 D HA 0.088 4.727 4.640 -0.002 0.000 0.291 245 D C -3.042 173.357 176.300 0.165 0.000 1.309 245 D CA -1.096 53.023 54.000 0.199 0.000 0.747 245 D CB 1.340 42.328 40.800 0.314 0.000 1.343 245 D HN 0.090 nan 8.370 nan 0.000 0.631 246 P HA 0.156 nan 4.420 nan 0.000 0.274 246 P C 0.575 177.865 177.300 -0.018 0.000 1.237 246 P CA -0.491 62.651 63.100 0.070 0.000 0.793 246 P CB 1.990 33.684 31.700 -0.010 0.000 0.977 247 I N 0.067 120.624 120.570 -0.021 0.000 4.323 247 I HA 0.199 4.368 4.170 -0.002 0.000 0.328 247 I C 0.140 176.210 176.117 -0.078 0.000 1.310 247 I CA 0.478 61.793 61.300 0.025 0.000 1.186 247 I CB -0.021 38.022 38.000 0.073 0.000 1.130 247 I HN 0.439 nan 8.210 nan 0.000 0.411 248 N N -0.473 118.057 118.700 -0.283 0.000 2.329 248 N HA 0.188 4.927 4.740 -0.002 0.000 0.282 248 N C -0.981 174.162 175.510 -0.612 0.000 1.198 248 N CA -0.259 52.612 53.050 -0.299 0.000 0.790 248 N CB 1.587 40.009 38.487 -0.107 0.000 1.579 248 N HN -0.194 nan 8.380 nan 0.000 0.475 249 F N 0.962 120.815 119.950 -0.163 0.000 2.661 249 F HA 0.434 4.960 4.527 -0.002 0.000 0.306 249 F C 0.594 175.840 175.800 -0.924 0.000 1.094 249 F CA -0.170 57.359 58.000 -0.786 0.000 1.254 249 F CB 0.225 38.897 39.000 -0.547 0.000 1.040 249 F HN 0.359 nan 8.300 nan 0.000 0.562 250 F N -1.455 118.422 119.950 -0.122 0.000 2.831 250 F HA 0.245 4.771 4.527 -0.001 0.000 0.334 250 F C 0.749 176.426 175.800 -0.205 0.000 1.071 250 F CA -0.107 57.761 58.000 -0.219 0.000 1.172 250 F CB 0.304 38.997 39.000 -0.511 0.000 1.054 250 F HN -0.378 nan 8.300 nan 0.000 0.572 251 S N 2.173 117.975 115.700 0.169 0.000 2.462 251 S HA 0.414 4.883 4.470 -0.002 0.000 0.294 251 S C -2.587 172.249 174.600 0.393 0.000 1.144 251 S CA -1.392 56.895 58.200 0.145 0.000 1.088 251 S CB 1.242 64.455 63.200 0.022 0.000 1.009 251 S HN -0.227 nan 8.310 nan 0.000 0.484 252 P HA 0.146 nan 4.420 nan 0.000 0.268 252 P C -0.300 177.244 177.300 0.407 0.000 1.205 252 P CA -0.376 62.963 63.100 0.398 0.000 0.771 252 P CB 0.341 32.111 31.700 0.116 0.000 0.858 253 E N 2.461 122.895 120.200 0.390 0.000 2.417 253 E HA -0.041 4.308 4.350 -0.002 0.000 0.261 253 E C 0.979 177.552 176.600 -0.045 0.000 1.000 253 E CA 0.036 56.433 56.400 -0.004 0.000 0.919 253 E CB -0.159 29.369 29.700 -0.288 0.000 0.955 253 E HN 0.451 nan 8.360 nan 0.000 0.455 254 c N 5.777 124.299 118.600 -0.131 0.000 2.398 254 c HA -0.178 4.391 4.570 -0.002 0.000 0.276 254 c C 2.291 176.249 174.090 -0.221 0.000 1.222 254 c CA 1.424 57.717 56.329 -0.061 0.000 1.746 254 c CB -0.782 41.740 42.510 0.020 0.000 2.039 254 c HN 0.981 nan 8.230 nan 0.000 0.470 255 R N -1.001 119.214 120.500 -0.475 0.000 2.185 255 R HA -0.161 4.178 4.340 -0.002 0.000 0.247 255 R C 0.879 177.006 176.300 -0.288 0.000 1.159 255 R CA 1.822 57.659 56.100 -0.438 0.000 0.988 255 R CB -0.331 29.620 30.300 -0.582 0.000 0.871 255 R HN 0.727 nan 8.270 nan 0.000 0.458 256 Y N -1.443 118.712 120.300 -0.242 0.000 2.658 256 Y HA 0.317 4.866 4.550 -0.002 0.000 0.276 256 Y C 0.103 175.582 175.900 -0.703 0.000 1.167 256 Y CA -0.880 56.911 58.100 -0.515 0.000 1.230 256 Y CB 0.229 38.252 38.460 -0.729 0.000 1.144 256 Y HN -0.216 nan 8.280 nan 0.000 0.529 257 S N 0.565 116.150 115.700 -0.191 0.000 2.429 257 S HA 0.239 4.708 4.470 -0.002 0.000 0.302 257 S C 1.240 175.847 174.600 0.012 0.000 1.115 257 S CA -0.088 58.113 58.200 0.001 0.000 1.095 257 S CB 0.630 63.912 63.200 0.136 0.000 0.987 257 S HN 0.457 nan 8.310 nan 0.000 0.474 258 S N 2.891 118.612 115.700 0.036 0.000 2.515 258 S HA -0.047 4.422 4.470 -0.002 0.000 0.231 258 S C 1.064 175.686 174.600 0.036 0.000 0.987 258 S CA 0.982 59.197 58.200 0.025 0.000 0.936 258 S CB -0.414 62.800 63.200 0.023 0.000 0.766 258 S HN 0.826 nan 8.310 nan 0.000 0.528 259 T N -1.448 113.144 114.554 0.063 0.000 3.416 259 T HA 0.598 4.947 4.350 -0.002 0.000 0.245 259 T C 0.741 175.472 174.700 0.052 0.000 1.081 259 T CA 0.151 62.285 62.100 0.055 0.000 1.190 259 T CB -0.266 68.641 68.868 0.065 0.000 1.068 259 T HN 1.233 nan 8.240 nan 0.000 0.580 260 G N 0.117 108.939 108.800 0.038 0.000 2.796 260 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.226 260 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.226 260 G C 0.231 175.156 174.900 0.040 0.000 1.381 260 G CA -0.370 44.746 45.100 0.028 0.000 0.867 260 G HN 0.799 nan 8.290 nan 0.000 0.552 261 c N -0.040 118.575 118.600 0.025 0.000 3.098 261 c HA 0.469 5.038 4.570 -0.002 0.000 0.265 261 c C 1.572 175.668 174.090 0.010 0.000 1.572 261 c CA -0.025 56.321 56.329 0.029 0.000 1.788 261 c CB -1.267 41.254 42.510 0.018 0.000 2.982 261 c HN 0.492 nan 8.230 nan 0.000 0.532 262 L N 0.441 121.671 121.223 0.011 0.000 2.965 262 L HA 0.419 4.758 4.340 -0.002 0.000 0.254 262 L C 1.505 178.383 176.870 0.012 0.000 1.220 262 L CA 0.737 55.577 54.840 -0.000 0.000 1.023 262 L CB 0.144 42.198 42.059 -0.008 0.000 1.355 262 L HN 0.458 nan 8.230 nan 0.000 0.545 263 G N -1.221 107.599 108.800 0.034 0.000 2.559 263 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.202 263 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.202 263 G C 0.846 175.792 174.900 0.077 0.000 0.992 263 G CA -0.147 44.983 45.100 0.049 0.000 0.764 263 G HN 0.308 nan 8.290 nan 0.000 0.525 264 G N 0.806 109.657 108.800 0.084 0.000 2.603 264 G HA2 0.153 4.113 3.960 -0.002 0.000 0.214 264 G HA3 0.153 4.113 3.960 -0.002 0.000 0.214 264 G C 1.682 176.687 174.900 0.175 0.000 1.140 264 G CA 1.510 46.676 45.100 0.111 0.000 0.800 264 G HN 0.637 nan 8.290 nan 0.000 0.533 265 Q N 0.964 120.881 119.800 0.195 0.000 2.050 265 Q HA -0.096 4.243 4.340 -0.002 0.000 0.202 265 Q C 2.405 178.546 176.000 0.235 0.000 0.980 265 Q CA 1.778 57.770 55.803 0.315 0.000 0.840 265 Q CB -1.151 27.770 28.738 0.304 0.000 0.898 265 Q HN 0.282 nan 8.270 nan 0.000 0.424 266 V N 1.458 121.451 119.914 0.132 0.000 2.287 266 V HA -0.256 3.863 4.120 -0.002 0.000 0.248 266 V C 2.492 178.633 176.094 0.078 0.000 1.053 266 V CA 1.797 64.138 62.300 0.068 0.000 1.027 266 V CB -0.713 31.147 31.823 0.062 0.000 0.646 266 V HN 0.205 nan 8.190 nan 0.000 0.447 267 L N 0.603 121.900 121.223 0.123 0.000 2.072 267 L HA -0.096 4.243 4.340 -0.002 0.000 0.205 267 L C 2.703 179.660 176.870 0.144 0.000 1.079 267 L CA 2.069 56.997 54.840 0.148 0.000 0.752 267 L CB -0.448 41.708 42.059 0.162 0.000 0.906 267 L HN 0.504 nan 8.230 nan 0.000 0.436 268 S N -1.364 114.454 115.700 0.196 0.000 2.382 268 S HA -0.238 4.231 4.470 -0.002 0.000 0.228 268 S C 2.041 176.757 174.600 0.194 0.000 1.027 268 S CA 1.289 59.631 58.200 0.236 0.000 0.991 268 S CB -1.175 62.250 63.200 0.374 0.000 0.823 268 S HN 0.412 nan 8.310 nan 0.000 0.469 269 F N 2.639 122.566 119.950 -0.038 0.000 2.113 269 F HA 0.052 4.579 4.527 -0.002 0.000 0.297 269 F C 2.381 178.073 175.800 -0.179 0.000 1.103 269 F CA 1.377 59.235 58.000 -0.236 0.000 1.248 269 F CB -0.142 38.620 39.000 -0.397 0.000 0.999 269 F HN 0.049 nan 8.300 nan 0.000 0.475 270 K N 0.236 120.596 120.400 -0.068 0.000 2.032 270 K HA -0.220 4.099 4.320 -0.002 0.000 0.209 270 K C 2.081 178.256 176.600 -0.708 0.000 1.048 270 K CA 1.842 57.777 56.287 -0.587 0.000 0.927 270 K CB -0.271 31.277 32.500 -1.587 0.000 0.712 270 K HN 0.213 nan 8.250 nan 0.000 0.441 271 K N 0.848 121.030 120.400 -0.364 0.000 2.032 271 K HA -0.162 4.157 4.320 -0.002 0.000 0.209 271 K C 2.203 178.773 176.600 -0.049 0.000 1.048 271 K CA 1.639 57.906 56.287 -0.033 0.000 0.927 271 K CB -0.151 32.415 32.500 0.111 0.000 0.712 271 K HN 0.163 nan 8.250 nan 0.000 0.441 272 M N 0.850 120.411 119.600 -0.065 0.000 2.226 272 M HA -0.293 4.186 4.480 -0.002 0.000 0.257 272 M C 1.938 178.199 176.300 -0.065 0.000 1.070 272 M CA 2.044 57.299 55.300 -0.074 0.000 1.087 272 M CB -0.319 32.181 32.600 -0.167 0.000 1.278 272 M HN 0.010 nan 8.290 nan 0.000 0.426 273 V N 1.156 121.004 119.914 -0.109 0.000 2.252 273 V HA -0.334 3.785 4.120 -0.002 0.000 0.249 273 V C 2.142 178.292 176.094 0.093 0.000 1.056 273 V CA 2.509 64.807 62.300 -0.004 0.000 1.022 273 V CB -1.365 30.473 31.823 0.026 0.000 0.641 273 V HN 0.650 nan 8.190 nan 0.000 0.445 274 N N -0.327 118.451 118.700 0.129 0.000 2.192 274 N HA -0.219 4.520 4.740 -0.002 0.000 0.188 274 N C 1.713 177.316 175.510 0.154 0.000 1.013 274 N CA 1.645 54.812 53.050 0.196 0.000 0.863 274 N CB -0.086 38.456 38.487 0.093 0.000 0.990 274 N HN 0.540 nan 8.380 nan 0.000 0.430 275 E N -0.036 120.219 120.200 0.092 0.000 2.016 275 E HA 0.013 4.362 4.350 -0.002 0.000 0.190 275 E C 1.936 178.581 176.600 0.075 0.000 0.985 275 E CA 0.856 57.298 56.400 0.069 0.000 0.802 275 E CB -0.307 29.418 29.700 0.041 0.000 0.762 275 E HN 0.329 nan 8.360 nan 0.000 0.448 276 L N 0.108 121.384 121.223 0.089 0.000 2.051 276 L HA -0.282 4.057 4.340 -0.002 0.000 0.214 276 L C 2.454 179.364 176.870 0.066 0.000 1.076 276 L CA 1.702 56.588 54.840 0.078 0.000 0.758 276 L CB -0.604 41.523 42.059 0.112 0.000 0.890 276 L HN 0.288 nan 8.230 nan 0.000 0.433 277 H N -0.403 118.663 119.070 -0.006 0.000 2.321 277 H HA -0.103 4.452 4.556 -0.002 0.000 0.300 277 H C 2.250 177.468 175.328 -0.183 0.000 1.087 277 H CA 1.371 57.391 56.048 -0.047 0.000 1.319 277 H CB -0.306 29.645 29.762 0.315 0.000 1.379 277 H HN 0.264 nan 8.280 nan 0.000 0.501 278 N N 0.412 119.169 118.700 0.094 0.000 2.149 278 N HA -0.131 4.608 4.740 -0.002 0.000 0.188 278 N C 1.990 177.460 175.510 -0.067 0.000 1.019 278 N CA 1.093 54.161 53.050 0.030 0.000 0.857 278 N CB -0.410 38.117 38.487 0.065 0.000 0.997 278 N HN 0.399 nan 8.380 nan 0.000 0.426 279 A N 0.191 122.959 122.820 -0.087 0.000 1.948 279 A HA 0.046 4.365 4.320 -0.002 0.000 0.220 279 A C 1.560 179.013 177.584 -0.218 0.000 1.177 279 A CA 2.025 53.989 52.037 -0.120 0.000 0.636 279 A CB -0.704 18.238 19.000 -0.097 0.000 0.815 279 A HN 0.445 nan 8.150 nan 0.000 0.449 280 G N -1.580 106.968 108.800 -0.420 0.000 2.173 280 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.174 280 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.174 280 G C -0.009 174.516 174.900 -0.625 0.000 1.025 280 G CA 0.284 45.002 45.100 -0.637 0.000 0.706 280 G HN 1.608 nan 8.290 nan 0.000 0.499 281 I N -3.165 117.053 120.570 -0.587 0.000 3.067 281 I HA 0.974 5.143 4.170 -0.002 0.000 0.312 281 I C -0.364 175.605 176.117 -0.247 0.000 1.073 281 I CA -1.589 59.522 61.300 -0.315 0.000 1.016 281 I CB 1.782 39.681 38.000 -0.168 0.000 1.227 281 I HN 0.004 nan 8.210 nan 0.000 0.456 282 E N 1.862 122.031 120.200 -0.053 0.000 2.199 282 E HA 0.591 4.940 4.350 -0.002 0.000 0.269 282 E C -1.529 175.106 176.600 0.058 0.000 0.899 282 E CA -1.032 55.390 56.400 0.036 0.000 0.772 282 E CB 2.526 32.277 29.700 0.084 0.000 1.155 282 E HN 0.524 nan 8.360 nan 0.000 0.408 283 V N 4.585 124.575 119.914 0.127 0.000 2.370 283 V HA 0.435 4.554 4.120 -0.002 0.000 0.283 283 V C -0.023 176.076 176.094 0.009 0.000 1.023 283 V CA -0.523 61.830 62.300 0.088 0.000 0.857 283 V CB 0.792 32.703 31.823 0.146 0.000 0.985 283 V HN 0.557 nan 8.190 nan 0.000 0.443 284 I N 5.894 126.439 120.570 -0.043 0.000 2.474 284 I HA 0.580 4.749 4.170 -0.002 0.000 0.294 284 I C -0.287 175.735 176.117 -0.158 0.000 1.005 284 I CA -0.683 60.537 61.300 -0.133 0.000 1.113 284 I CB 2.054 40.004 38.000 -0.083 0.000 1.289 284 I HN 0.653 nan 8.210 nan 0.000 0.436 285 I N 1.332 121.736 120.570 -0.277 0.000 2.648 285 I HA 0.525 4.694 4.170 -0.002 0.000 0.304 285 I C -0.545 175.370 176.117 -0.338 0.000 1.009 285 I CA -0.536 60.604 61.300 -0.267 0.000 1.114 285 I CB 1.862 39.711 38.000 -0.251 0.000 1.293 285 I HN 0.403 nan 8.210 nan 0.000 0.449 286 D N 5.180 125.349 120.400 -0.385 0.000 2.485 286 D HA 0.281 4.920 4.640 -0.002 0.000 0.221 286 D C -0.322 175.631 176.300 -0.578 0.000 1.112 286 D CA -0.140 53.619 54.000 -0.401 0.000 0.911 286 D CB 1.360 41.941 40.800 -0.365 0.000 1.019 286 D HN 0.539 nan 8.370 nan 0.000 0.516 287 V N 1.093 120.631 119.914 -0.627 0.000 2.904 287 V HA 0.615 4.734 4.120 -0.002 0.000 0.305 287 V C 0.091 175.830 176.094 -0.590 0.000 1.067 287 V CA -0.589 61.142 62.300 -0.949 0.000 1.044 287 V CB 1.785 33.043 31.823 -0.941 0.000 1.050 287 V HN 0.133 nan 8.190 nan 0.000 0.475 288 V N 4.064 123.603 119.914 -0.624 0.000 2.482 288 V HA 0.438 4.557 4.120 -0.002 0.000 0.295 288 V C -0.701 175.275 176.094 -0.197 0.000 1.026 288 V CA -0.100 62.075 62.300 -0.209 0.000 0.856 288 V CB 1.295 33.091 31.823 -0.045 0.000 1.001 288 V HN 0.938 nan 8.190 nan 0.000 0.424 289 Y N 2.316 122.695 120.300 0.132 0.000 2.527 289 Y HA 0.097 4.646 4.550 -0.002 0.000 0.247 289 Y C 1.720 177.616 175.900 -0.006 0.000 1.138 289 Y CA -0.204 57.897 58.100 0.003 0.000 1.228 289 Y CB 0.474 38.882 38.460 -0.087 0.000 1.252 289 Y HN 0.791 nan 8.280 nan 0.000 0.531 290 N N -0.062 118.764 118.700 0.210 0.000 2.353 290 N HA 0.036 4.775 4.740 -0.002 0.000 0.185 290 N C -0.095 175.622 175.510 0.344 0.000 1.098 290 N CA 0.327 53.504 53.050 0.211 0.000 0.872 290 N CB -0.070 38.543 38.487 0.210 0.000 0.970 290 N HN 0.432 nan 8.380 nan 0.000 0.467 291 H N -4.096 115.094 119.070 0.200 0.000 3.024 291 H HA 0.467 5.022 4.556 -0.002 0.000 0.324 291 H C -0.999 174.502 175.328 0.287 0.000 1.347 291 H CA -1.027 55.158 56.048 0.228 0.000 1.182 291 H CB 0.645 30.518 29.762 0.184 0.000 1.889 291 H HN 0.041 nan 8.280 nan 0.000 0.528 292 T N -1.612 113.101 114.554 0.266 0.000 2.884 292 T HA 0.606 4.955 4.350 -0.002 0.000 0.277 292 T C 1.159 176.000 174.700 0.235 0.000 0.976 292 T CA -0.486 61.738 62.100 0.206 0.000 0.956 292 T CB 1.380 70.414 68.868 0.276 0.000 1.113 292 T HN 0.961 nan 8.240 nan 0.000 0.554 293 A N -0.697 122.259 122.820 0.227 0.000 2.259 293 A HA 0.185 4.505 4.320 -0.002 0.000 0.208 293 A C 1.785 179.520 177.584 0.251 0.000 1.201 293 A CA 0.060 52.247 52.037 0.250 0.000 0.824 293 A CB -0.799 18.337 19.000 0.226 0.000 0.838 293 A HN 0.902 nan 8.150 nan 0.000 0.485 294 E N -0.367 119.977 120.200 0.240 0.000 2.435 294 E HA 0.245 4.595 4.350 -0.002 0.000 0.195 294 E C 1.354 178.006 176.600 0.087 0.000 1.029 294 E CA 0.155 56.656 56.400 0.168 0.000 0.865 294 E CB -0.092 29.720 29.700 0.186 0.000 0.833 294 E HN 0.671 nan 8.360 nan 0.000 0.510 295 G N 2.737 111.593 108.800 0.093 0.000 2.633 295 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.263 295 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.263 295 G C 0.126 174.919 174.900 -0.179 0.000 1.310 295 G CA 0.033 45.145 45.100 0.021 0.000 0.914 295 G HN 0.379 nan 8.290 nan 0.000 0.569 296 N N 1.102 119.708 118.700 -0.155 0.000 2.290 296 N HA 0.192 4.931 4.740 -0.002 0.000 0.269 296 N C 0.967 176.244 175.510 -0.388 0.000 1.295 296 N CA 0.582 53.468 53.050 -0.272 0.000 0.932 296 N CB -0.485 38.005 38.487 0.005 0.000 1.128 296 N HN 1.175 nan 8.380 nan 0.000 0.532 297 H N -1.951 116.753 119.070 -0.610 0.000 2.913 297 H HA 0.079 4.634 4.556 -0.002 0.000 0.365 297 H C 0.628 175.806 175.328 -0.251 0.000 1.155 297 H CA -0.416 55.410 56.048 -0.369 0.000 1.417 297 H CB -0.017 29.599 29.762 -0.243 0.000 1.386 297 H HN 0.543 nan 8.280 nan 0.000 0.614 298 L N -0.242 120.744 121.223 -0.395 0.000 4.140 298 L HA -0.129 4.210 4.340 -0.002 0.000 0.406 298 L C 0.760 177.845 176.870 0.359 0.000 1.175 298 L CA 1.444 56.153 54.840 -0.219 0.000 0.939 298 L CB -1.653 40.131 42.059 -0.458 0.000 2.105 298 L HN 1.183 nan 8.230 nan 0.000 0.803 299 G N -1.212 107.824 108.800 0.394 0.000 2.454 299 G HA2 0.753 4.712 3.960 -0.002 0.000 0.329 299 G HA3 0.753 4.712 3.960 -0.002 0.000 0.329 299 G C -2.684 172.438 174.900 0.369 0.000 1.177 299 G CA -1.300 44.036 45.100 0.393 0.000 0.951 299 G HN -0.031 nan 8.290 nan 0.000 0.485 300 P HA 0.102 nan 4.420 nan 0.000 0.266 300 P C -0.026 177.210 177.300 -0.108 0.000 1.195 300 P CA 0.181 63.041 63.100 -0.399 0.000 0.768 300 P CB 0.715 32.230 31.700 -0.308 0.000 0.838 301 T N 4.222 118.713 114.554 -0.105 0.000 3.364 301 T HA 0.218 4.567 4.350 -0.002 0.000 0.323 301 T C 1.428 176.092 174.700 -0.060 0.000 1.323 301 T CA -0.125 61.973 62.100 -0.004 0.000 1.073 301 T CB -0.626 68.278 68.868 0.061 0.000 1.150 301 T HN 0.268 nan 8.240 nan 0.000 0.727 302 L N 0.454 121.639 121.223 -0.063 0.000 2.221 302 L HA 0.166 4.505 4.340 -0.002 0.000 0.202 302 L C 2.023 178.810 176.870 -0.139 0.000 1.074 302 L CA 0.491 55.262 54.840 -0.116 0.000 0.795 302 L CB -0.060 41.926 42.059 -0.121 0.000 0.960 302 L HN 0.539 nan 8.230 nan 0.000 0.458 303 S N -1.549 114.063 115.700 -0.146 0.000 5.452 303 S HA 0.126 4.595 4.470 -0.002 0.000 0.133 303 S C 1.300 175.731 174.600 -0.281 0.000 1.088 303 S CA -0.304 57.689 58.200 -0.345 0.000 1.304 303 S CB -0.756 61.992 63.200 -0.753 0.000 2.087 303 S HN 0.102 nan 8.310 nan 0.000 0.718 304 F N 2.656 122.552 119.950 -0.090 0.000 2.171 304 F HA 0.185 4.711 4.527 -0.002 0.000 0.300 304 F C 2.559 178.403 175.800 0.074 0.000 1.090 304 F CA 1.479 59.327 58.000 -0.254 0.000 1.293 304 F CB -0.419 38.291 39.000 -0.485 0.000 1.013 304 F HN 0.246 nan 8.300 nan 0.000 0.486 305 R N 0.760 121.528 120.500 0.447 0.000 2.105 305 R HA -0.102 4.237 4.340 -0.002 0.000 0.239 305 R C 2.414 178.800 176.300 0.143 0.000 1.135 305 R CA 1.611 57.928 56.100 0.361 0.000 0.967 305 R CB -0.851 29.607 30.300 0.264 0.000 0.861 305 R HN 0.347 nan 8.270 nan 0.000 0.442 306 G N 0.073 108.931 108.800 0.096 0.000 2.396 306 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.214 306 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.214 306 G C 1.414 176.375 174.900 0.103 0.000 1.166 306 G CA 0.551 45.691 45.100 0.067 0.000 0.793 306 G HN 0.254 nan 8.290 nan 0.000 0.533 307 I N -0.175 120.447 120.570 0.088 0.000 2.179 307 I HA -0.001 4.168 4.170 -0.002 0.000 0.242 307 I C 0.263 176.541 176.117 0.268 0.000 1.088 307 I CA 1.128 62.512 61.300 0.140 0.000 1.357 307 I CB 0.235 38.285 38.000 0.083 0.000 1.051 307 I HN 0.025 nan 8.210 nan 0.000 0.409 308 D N -1.206 119.328 120.400 0.223 0.000 2.266 308 D HA 0.023 4.662 4.640 -0.002 0.000 0.218 308 D C -0.108 176.304 176.300 0.187 0.000 1.311 308 D CA -0.150 53.949 54.000 0.165 0.000 0.918 308 D CB 0.309 41.194 40.800 0.141 0.000 1.530 308 D HN -0.142 nan 8.370 nan 0.000 0.514 309 N N 1.014 119.692 118.700 -0.037 0.000 2.207 309 N HA -0.094 4.645 4.740 -0.002 0.000 0.182 309 N C 1.427 177.034 175.510 0.161 0.000 1.020 309 N CA 1.969 55.111 53.050 0.152 0.000 0.858 309 N CB 0.378 38.878 38.487 0.022 0.000 0.991 309 N HN 0.280 nan 8.380 nan 0.000 0.427 310 T N 0.530 115.117 114.554 0.055 0.000 2.555 310 T HA -0.102 4.247 4.350 -0.002 0.000 0.264 310 T C 0.915 175.675 174.700 0.099 0.000 1.083 310 T CA 1.474 63.616 62.100 0.071 0.000 1.179 310 T CB -0.853 68.065 68.868 0.082 0.000 0.863 310 T HN 0.463 nan 8.240 nan 0.000 0.412 311 A N -0.827 122.036 122.820 0.072 0.000 2.386 311 A HA 0.487 4.806 4.320 -0.002 0.000 0.246 311 A C 0.528 178.121 177.584 0.016 0.000 1.089 311 A CA 0.138 52.144 52.037 -0.051 0.000 0.790 311 A CB -0.322 18.538 19.000 -0.234 0.000 1.042 311 A HN 0.761 nan 8.150 nan 0.000 0.497 312 Y N -2.681 117.594 120.300 -0.041 0.000 2.768 312 Y HA -0.313 4.236 4.550 -0.002 0.000 0.480 312 Y C 0.077 175.736 175.900 -0.401 0.000 1.271 312 Y CA 2.051 60.006 58.100 -0.243 0.000 2.593 312 Y CB -1.475 36.819 38.460 -0.277 0.000 0.968 312 Y HN 0.675 nan 8.280 nan 0.000 0.531 313 Y N 0.911 121.375 120.300 0.274 0.000 2.393 313 Y HA 0.530 5.079 4.550 -0.002 0.000 0.341 313 Y C 0.188 176.159 175.900 0.119 0.000 0.988 313 Y CA -1.199 57.037 58.100 0.226 0.000 1.078 313 Y CB 1.189 39.861 38.460 0.352 0.000 1.203 313 Y HN -0.179 nan 8.280 nan 0.000 0.453 314 M N 5.112 124.899 119.600 0.311 0.000 2.341 314 M HA 0.137 4.616 4.480 -0.002 0.000 0.336 314 M C -1.138 175.230 176.300 0.113 0.000 1.489 314 M CA -0.225 55.189 55.300 0.190 0.000 1.278 314 M CB -0.082 32.651 32.600 0.221 0.000 1.657 314 M HN 0.291 nan 8.290 nan 0.000 0.455 315 L N 2.980 124.208 121.223 0.009 0.000 2.421 315 L HA 0.283 4.622 4.340 -0.002 0.000 0.263 315 L C 0.648 177.495 176.870 -0.039 0.000 1.122 315 L CA -0.107 54.664 54.840 -0.115 0.000 0.804 315 L CB 0.377 42.335 42.059 -0.169 0.000 1.150 315 L HN 0.601 nan 8.230 nan 0.000 0.457 316 Q N 3.370 123.139 119.800 -0.052 0.000 2.286 316 Q HA 0.181 4.520 4.340 -0.002 0.000 0.267 316 Q C -2.020 173.958 176.000 -0.037 0.000 1.028 316 Q CA -1.578 54.207 55.803 -0.030 0.000 0.901 316 Q CB 0.544 29.261 28.738 -0.036 0.000 1.183 316 Q HN 0.332 nan 8.270 nan 0.000 0.392 317 P HA -0.078 nan 4.420 nan 0.000 0.272 317 P C -0.267 177.012 177.300 -0.035 0.000 1.223 317 P CA 0.188 63.275 63.100 -0.022 0.000 0.784 317 P CB 0.724 32.417 31.700 -0.011 0.000 0.923 318 D N -1.047 119.334 120.400 -0.030 0.000 2.328 318 D HA -0.183 4.456 4.640 -0.002 0.000 0.167 318 D C 0.216 176.488 176.300 -0.047 0.000 1.205 318 D CA 1.427 55.406 54.000 -0.036 0.000 1.128 318 D CB -1.430 39.346 40.800 -0.041 0.000 1.157 318 D HN 0.611 nan 8.370 nan 0.000 0.468 319 N N 0.051 118.718 118.700 -0.056 0.000 2.697 319 N HA 0.055 4.795 4.740 -0.002 0.000 0.253 319 N C 0.600 176.094 175.510 -0.027 0.000 1.604 319 N CA -0.237 52.780 53.050 -0.055 0.000 0.772 319 N CB 0.414 38.825 38.487 -0.127 0.000 1.267 319 N HN 0.003 nan 8.380 nan 0.000 0.510 320 K N 0.329 120.707 120.400 -0.037 0.000 2.515 320 K HA -0.093 4.226 4.320 -0.002 0.000 0.196 320 K C 1.736 178.277 176.600 -0.098 0.000 1.038 320 K CA 0.138 56.377 56.287 -0.080 0.000 0.967 320 K CB 0.225 32.682 32.500 -0.073 0.000 0.780 320 K HN 0.391 nan 8.250 nan 0.000 0.483 321 R N 0.476 120.978 120.500 0.004 0.000 2.134 321 R HA -0.178 4.161 4.340 -0.002 0.000 0.248 321 R C 0.323 176.661 176.300 0.062 0.000 1.143 321 R CA 1.601 57.755 56.100 0.089 0.000 0.957 321 R CB -0.040 30.406 30.300 0.243 0.000 0.867 321 R HN 0.163 nan 8.270 nan 0.000 0.441 322 Y N -2.163 118.013 120.300 -0.207 0.000 2.519 322 Y HA 0.291 4.840 4.550 -0.002 0.000 0.324 322 Y C -0.643 175.126 175.900 -0.217 0.000 1.214 322 Y CA -1.313 56.652 58.100 -0.225 0.000 1.260 322 Y CB 1.230 39.534 38.460 -0.259 0.000 1.311 322 Y HN -0.115 nan 8.280 nan 0.000 0.505 323 Y N 1.024 121.302 120.300 -0.038 0.000 2.350 323 Y HA 0.363 4.912 4.550 -0.002 0.000 0.338 323 Y C -0.553 175.369 175.900 0.037 0.000 0.961 323 Y CA -1.154 56.945 58.100 -0.003 0.000 1.100 323 Y CB 1.041 39.456 38.460 -0.074 0.000 1.179 323 Y HN 0.262 nan 8.280 nan 0.000 0.454 324 L N 4.086 125.417 121.223 0.179 0.000 2.462 324 L HA 0.121 4.460 4.340 -0.002 0.000 0.272 324 L C -0.213 176.772 176.870 0.191 0.000 1.166 324 L CA 0.473 55.393 54.840 0.133 0.000 0.880 324 L CB 0.280 42.448 42.059 0.182 0.000 1.142 324 L HN 0.613 nan 8.230 nan 0.000 0.473 325 D N 2.217 122.641 120.400 0.040 0.000 2.502 325 D HA 0.282 4.922 4.640 -0.002 0.000 0.249 325 D C -0.162 176.106 176.300 -0.054 0.000 1.092 325 D CA -0.359 53.691 54.000 0.084 0.000 0.839 325 D CB 1.303 42.124 40.800 0.035 0.000 1.264 325 D HN 0.218 nan 8.370 nan 0.000 0.511 326 F N 0.764 120.730 119.950 0.027 0.000 2.727 326 F HA 0.104 4.630 4.527 -0.002 0.000 0.302 326 F C 2.131 177.924 175.800 -0.012 0.000 1.107 326 F CA 0.293 58.300 58.000 0.010 0.000 1.277 326 F CB 0.672 39.681 39.000 0.015 0.000 1.079 326 F HN 0.411 nan 8.300 nan 0.000 0.594 327 T N -3.929 110.704 114.554 0.132 0.000 2.985 327 T HA 0.387 4.736 4.350 -0.002 0.000 0.254 327 T C 1.601 176.266 174.700 -0.058 0.000 1.021 327 T CA 0.404 62.517 62.100 0.021 0.000 0.957 327 T CB 0.393 69.239 68.868 -0.036 0.000 1.047 327 T HN 0.253 nan 8.240 nan 0.000 0.511 328 G N 1.993 110.761 108.800 -0.053 0.000 2.198 328 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.257 328 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.257 328 G C 0.658 175.483 174.900 -0.126 0.000 1.042 328 G CA 0.893 45.943 45.100 -0.083 0.000 0.791 328 G HN 1.008 nan 8.290 nan 0.000 0.502 329 T N -4.373 110.094 114.554 -0.146 0.000 3.004 329 T HA 0.524 4.873 4.350 -0.002 0.000 0.266 329 T C 2.021 176.682 174.700 -0.064 0.000 0.986 329 T CA 1.619 63.606 62.100 -0.187 0.000 0.902 329 T CB 0.840 69.380 68.868 -0.546 0.000 1.118 329 T HN 2.097 nan 8.240 nan 0.000 0.522 330 G N 1.917 110.704 108.800 -0.021 0.000 2.316 330 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.203 330 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.203 330 G C -0.143 174.771 174.900 0.024 0.000 0.999 330 G CA -0.065 45.033 45.100 -0.003 0.000 0.649 330 G HN 1.025 nan 8.290 nan 0.000 0.489 331 N N -0.959 117.800 118.700 0.099 0.000 2.708 331 N HA 0.580 5.319 4.740 -0.002 0.000 0.257 331 N C -1.816 173.887 175.510 0.321 0.000 1.373 331 N CA 0.042 53.205 53.050 0.188 0.000 0.843 331 N CB 2.156 40.642 38.487 -0.001 0.000 1.503 331 N HN 0.181 nan 8.380 nan 0.000 0.504 332 T N 0.835 115.629 114.554 0.400 0.000 2.886 332 T HA 0.385 4.734 4.350 -0.002 0.000 0.292 332 T C -0.393 174.516 174.700 0.348 0.000 1.012 332 T CA -0.603 61.702 62.100 0.341 0.000 0.982 332 T CB 0.909 69.955 68.868 0.296 0.000 1.018 332 T HN 0.408 nan 8.240 nan 0.000 0.451 333 L N 4.150 125.495 121.223 0.204 0.000 2.483 333 L HA 0.232 4.571 4.340 -0.002 0.000 0.276 333 L C 1.074 177.970 176.870 0.044 0.000 1.213 333 L CA -0.335 54.548 54.840 0.071 0.000 0.843 333 L CB 0.269 42.303 42.059 -0.041 0.000 1.107 333 L HN 0.649 nan 8.230 nan 0.000 0.487 334 N N 2.923 121.644 118.700 0.035 0.000 3.178 334 N HA 0.032 4.771 4.740 -0.002 0.000 0.300 334 N C 0.706 176.214 175.510 -0.003 0.000 1.242 334 N CA -0.222 52.851 53.050 0.038 0.000 1.192 334 N CB 0.206 38.736 38.487 0.071 0.000 1.463 334 N HN 0.438 nan 8.380 nan 0.000 0.539 335 L N 0.515 121.704 121.223 -0.057 0.000 2.551 335 L HA -0.109 4.230 4.340 -0.002 0.000 0.230 335 L C 2.033 178.865 176.870 -0.064 0.000 1.163 335 L CA 1.034 55.816 54.840 -0.096 0.000 0.826 335 L CB -1.838 40.113 42.059 -0.179 0.000 0.943 335 L HN 0.541 nan 8.230 nan 0.000 0.452 336 S N -2.654 113.026 115.700 -0.034 0.000 2.501 336 S HA -0.051 4.418 4.470 -0.002 0.000 0.220 336 S C 1.040 175.631 174.600 -0.015 0.000 0.997 336 S CA -0.193 57.988 58.200 -0.032 0.000 0.919 336 S CB -0.334 62.850 63.200 -0.028 0.000 0.778 336 S HN 0.459 nan 8.310 nan 0.000 0.523 337 H N 3.142 122.171 119.070 -0.069 0.000 2.690 337 H HA 0.295 4.850 4.556 -0.002 0.000 0.314 337 H C -2.069 173.188 175.328 -0.119 0.000 1.069 337 H CA -1.690 54.310 56.048 -0.081 0.000 1.436 337 H CB 1.554 31.266 29.762 -0.083 0.000 1.462 337 H HN 0.014 nan 8.280 nan 0.000 0.511 338 P HA -0.182 nan 4.420 nan 0.000 0.216 338 P C 1.500 178.791 177.300 -0.015 0.000 1.154 338 P CA 1.252 64.307 63.100 -0.074 0.000 0.865 338 P CB 0.417 32.031 31.700 -0.143 0.000 0.789 339 R N -0.659 119.848 120.500 0.011 0.000 2.092 339 R HA -0.027 4.312 4.340 -0.002 0.000 0.231 339 R C 2.167 178.376 176.300 -0.152 0.000 1.119 339 R CA 0.977 56.927 56.100 -0.250 0.000 0.970 339 R CB -1.719 27.979 30.300 -1.004 0.000 0.864 339 R HN 0.194 nan 8.270 nan 0.000 0.440 340 V N 1.366 121.193 119.914 -0.144 0.000 2.343 340 V HA -0.204 3.915 4.120 -0.002 0.000 0.247 340 V C 2.313 178.384 176.094 -0.038 0.000 1.051 340 V CA 1.499 63.757 62.300 -0.069 0.000 1.036 340 V CB -0.480 31.294 31.823 -0.080 0.000 0.654 340 V HN 0.131 nan 8.190 nan 0.000 0.451 341 I N -0.196 120.353 120.570 -0.035 0.000 2.394 341 I HA -0.221 3.948 4.170 -0.002 0.000 0.251 341 I C 2.475 178.591 176.117 -0.001 0.000 1.136 341 I CA 1.680 62.959 61.300 -0.035 0.000 1.425 341 I CB -0.315 37.677 38.000 -0.014 0.000 1.079 341 I HN 0.377 nan 8.210 nan 0.000 0.425 342 Q N 0.016 119.831 119.800 0.025 0.000 2.079 342 Q HA -0.258 4.081 4.340 -0.002 0.000 0.200 342 Q C 2.371 178.467 176.000 0.160 0.000 0.974 342 Q CA 2.063 57.914 55.803 0.079 0.000 0.840 342 Q CB -0.249 28.540 28.738 0.085 0.000 0.898 342 Q HN 0.602 nan 8.270 nan 0.000 0.430 343 M N -0.225 119.491 119.600 0.192 0.000 2.065 343 M HA -0.197 4.282 4.480 -0.002 0.000 0.259 343 M C 1.915 178.225 176.300 0.016 0.000 1.069 343 M CA 1.664 57.116 55.300 0.253 0.000 1.110 343 M CB -0.042 32.737 32.600 0.298 0.000 1.328 343 M HN 0.197 nan 8.290 nan 0.000 0.405 344 V N 0.906 120.723 119.914 -0.161 0.000 2.287 344 V HA -0.303 3.816 4.120 -0.002 0.000 0.248 344 V C 2.327 178.259 176.094 -0.270 0.000 1.053 344 V CA 1.909 63.946 62.300 -0.439 0.000 1.027 344 V CB -0.788 30.688 31.823 -0.578 0.000 0.646 344 V HN 0.545 nan 8.190 nan 0.000 0.447 345 L N -0.502 120.672 121.223 -0.082 0.000 2.156 345 L HA -0.103 4.237 4.340 -0.002 0.000 0.208 345 L C 2.300 179.201 176.870 0.050 0.000 1.095 345 L CA 1.116 55.931 54.840 -0.041 0.000 0.770 345 L CB -0.616 41.421 42.059 -0.036 0.000 0.914 345 L HN 0.300 nan 8.230 nan 0.000 0.439 346 D N -0.707 119.784 120.400 0.152 0.000 2.117 346 D HA -0.191 4.448 4.640 -0.002 0.000 0.197 346 D C 2.383 178.905 176.300 0.371 0.000 0.987 346 D CA 1.604 55.797 54.000 0.322 0.000 0.829 346 D CB -0.004 41.111 40.800 0.524 0.000 0.961 346 D HN 0.143 nan 8.370 nan 0.000 0.460 347 S N -0.363 115.398 115.700 0.103 0.000 2.355 347 S HA -0.079 4.390 4.470 -0.002 0.000 0.222 347 S C 2.177 176.979 174.600 0.337 0.000 1.031 347 S CA 0.585 58.725 58.200 -0.099 0.000 0.993 347 S CB -0.318 62.595 63.200 -0.477 0.000 0.859 347 S HN 0.179 nan 8.310 nan 0.000 0.453 348 L N 0.899 122.193 121.223 0.119 0.000 2.012 348 L HA -0.108 4.231 4.340 -0.002 0.000 0.210 348 L C 3.058 180.057 176.870 0.217 0.000 1.073 348 L CA 1.665 56.464 54.840 -0.069 0.000 0.748 348 L CB -0.474 41.396 42.059 -0.315 0.000 0.891 348 L HN 0.289 nan 8.230 nan 0.000 0.431 349 R N -1.446 119.180 120.500 0.210 0.000 2.092 349 R HA -0.200 4.139 4.340 -0.002 0.000 0.231 349 R C 2.285 178.758 176.300 0.287 0.000 1.119 349 R CA 1.599 57.834 56.100 0.225 0.000 0.970 349 R CB -0.474 29.927 30.300 0.168 0.000 0.864 349 R HN 0.288 nan 8.270 nan 0.000 0.440 350 Y N 0.216 120.666 120.300 0.250 0.000 2.049 350 Y HA -0.289 4.260 4.550 -0.002 0.000 0.277 350 Y C 1.674 177.651 175.900 0.127 0.000 1.143 350 Y CA 1.689 59.895 58.100 0.176 0.000 1.115 350 Y CB -0.553 38.046 38.460 0.232 0.000 0.975 350 Y HN 0.021 nan 8.280 nan 0.000 0.487 351 W N -0.674 120.818 121.300 0.321 0.000 2.387 351 W HA -0.159 4.500 4.660 -0.001 0.000 0.272 351 W C 2.226 178.822 176.519 0.129 0.000 1.224 351 W CA 1.394 58.878 57.345 0.232 0.000 1.210 351 W CB -0.666 29.097 29.460 0.506 0.000 1.125 351 W HN -0.037 nan 8.180 nan 0.000 0.572 352 V N -0.334 119.783 119.914 0.338 0.000 2.403 352 V HA -0.198 3.921 4.120 -0.002 0.000 0.239 352 V C 2.494 178.524 176.094 -0.107 0.000 1.041 352 V CA 2.297 64.681 62.300 0.140 0.000 1.051 352 V CB -1.206 30.748 31.823 0.218 0.000 0.704 352 V HN 0.241 nan 8.190 nan 0.000 0.472 353 T N -1.872 112.622 114.554 -0.100 0.000 2.821 353 T HA -0.132 4.217 4.350 -0.002 0.000 0.267 353 T C 1.574 176.112 174.700 -0.270 0.000 1.046 353 T CA 1.387 63.361 62.100 -0.209 0.000 1.139 353 T CB -0.148 68.665 68.868 -0.091 0.000 0.871 353 T HN 0.428 nan 8.240 nan 0.000 0.454 354 E N 0.455 120.494 120.200 -0.269 0.000 2.201 354 E HA 0.196 4.546 4.350 -0.002 0.000 0.193 354 E C 1.624 178.111 176.600 -0.188 0.000 0.957 354 E CA 0.499 56.717 56.400 -0.303 0.000 0.858 354 E CB 0.076 29.334 29.700 -0.737 0.000 0.816 354 E HN 0.454 nan 8.360 nan 0.000 0.475 355 M N 0.024 119.484 119.600 -0.235 0.000 2.356 355 M HA 0.131 4.610 4.480 -0.002 0.000 0.262 355 M C -0.248 176.121 176.300 0.115 0.000 1.097 355 M CA 0.059 55.365 55.300 0.009 0.000 0.991 355 M CB -0.586 31.979 32.600 -0.060 0.000 1.450 355 M HN 0.187 nan 8.290 nan 0.000 0.495 356 H N -0.397 118.442 119.070 -0.386 0.000 2.731 356 H HA -0.121 4.434 4.556 -0.002 0.000 0.305 356 H C -0.203 175.022 175.328 -0.173 0.000 1.132 356 H CA -0.051 55.697 56.048 -0.499 0.000 1.148 356 H CB -1.564 27.501 29.762 -1.162 0.000 1.379 356 H HN 0.127 nan 8.280 nan 0.000 0.398 357 V N 1.102 121.052 119.914 0.059 0.000 2.649 357 V HA -0.013 4.106 4.120 -0.002 0.000 0.292 357 V C 1.346 177.422 176.094 -0.029 0.000 1.055 357 V CA 0.265 62.601 62.300 0.061 0.000 1.023 357 V CB 1.654 33.502 31.823 0.040 0.000 0.992 357 V HN 0.309 nan 8.190 nan 0.000 0.480 358 D N 2.186 122.571 120.400 -0.025 0.000 2.367 358 D HA 0.291 4.930 4.640 -0.002 0.000 0.207 358 D C 0.626 176.879 176.300 -0.078 0.000 1.034 358 D CA 0.949 54.938 54.000 -0.019 0.000 0.861 358 D CB 1.215 42.038 40.800 0.039 0.000 0.943 358 D HN 0.754 nan 8.370 nan 0.000 0.515 359 G N -0.263 108.376 108.800 -0.267 0.000 2.368 359 G HA2 0.427 4.386 3.960 -0.002 0.000 0.293 359 G HA3 0.427 4.386 3.960 -0.002 0.000 0.293 359 G C -1.822 172.713 174.900 -0.609 0.000 1.467 359 G CA -0.883 44.072 45.100 -0.241 0.000 0.804 359 G HN -0.061 nan 8.290 nan 0.000 0.535 360 F N -0.200 119.692 119.950 -0.097 0.000 2.593 360 F HA 0.826 5.352 4.527 -0.002 0.000 0.320 360 F C 0.334 175.939 175.800 -0.325 0.000 1.060 360 F CA -1.054 56.770 58.000 -0.292 0.000 0.940 360 F CB 2.517 41.222 39.000 -0.490 0.000 1.268 360 F HN 0.389 nan 8.300 nan 0.000 0.475 361 R N 2.234 122.591 120.500 -0.237 0.000 2.435 361 R HA 0.395 4.734 4.340 -0.002 0.000 0.308 361 R C -2.019 174.101 176.300 -0.301 0.000 0.975 361 R CA -0.511 55.446 56.100 -0.238 0.000 0.867 361 R CB 0.639 30.797 30.300 -0.238 0.000 1.171 361 R HN 0.577 nan 8.270 nan 0.000 0.470 362 F N 2.456 122.361 119.950 -0.074 0.000 2.467 362 F HA 0.130 4.656 4.527 -0.002 0.000 0.362 362 F C 1.007 176.736 175.800 -0.119 0.000 1.090 362 F CA -0.096 57.888 58.000 -0.027 0.000 1.202 362 F CB 0.700 39.757 39.000 0.095 0.000 1.113 362 F HN 0.455 nan 8.300 nan 0.000 0.541 363 D N 3.124 123.546 120.400 0.037 0.000 2.308 363 D HA 0.327 4.967 4.640 -0.002 0.000 0.251 363 D C -0.004 176.303 176.300 0.013 0.000 1.127 363 D CA -0.064 53.904 54.000 -0.053 0.000 0.876 363 D CB 0.608 41.404 40.800 -0.007 0.000 1.176 363 D HN 0.445 nan 8.370 nan 0.000 0.446 364 L N 2.562 123.764 121.223 -0.036 0.000 3.608 364 L HA -0.236 4.103 4.340 -0.002 0.000 0.422 364 L C 1.554 178.457 176.870 0.055 0.000 1.260 364 L CA 0.881 55.732 54.840 0.018 0.000 0.889 364 L CB -2.062 40.014 42.059 0.028 0.000 1.821 364 L HN 0.617 nan 8.230 nan 0.000 0.884 365 A N -0.263 122.615 122.820 0.098 0.000 1.896 365 A HA -0.153 4.166 4.320 -0.002 0.000 0.220 365 A C 2.442 179.999 177.584 -0.044 0.000 1.206 365 A CA 3.197 55.312 52.037 0.130 0.000 0.647 365 A CB -0.515 18.677 19.000 0.319 0.000 0.828 365 A HN 1.064 nan 8.150 nan 0.000 0.455 366 A N -0.432 122.415 122.820 0.045 0.000 1.903 366 A HA 0.017 4.336 4.320 -0.002 0.000 0.219 366 A C 2.536 180.010 177.584 -0.183 0.000 1.191 366 A CA 2.757 54.732 52.037 -0.103 0.000 0.638 366 A CB -1.138 17.959 19.000 0.161 0.000 0.823 366 A HN 1.307 nan 8.150 nan 0.000 0.451 367 A N -0.998 121.784 122.820 -0.064 0.000 1.930 367 A HA 0.051 4.370 4.320 -0.002 0.000 0.217 367 A C 2.138 179.637 177.584 -0.142 0.000 1.175 367 A CA 1.650 53.665 52.037 -0.038 0.000 0.627 367 A CB -0.510 18.514 19.000 0.040 0.000 0.815 367 A HN 0.743 nan 8.150 nan 0.000 0.443 368 L N -0.350 120.777 121.223 -0.159 0.000 2.072 368 L HA 0.049 4.388 4.340 -0.002 0.000 0.205 368 L C 2.617 179.267 176.870 -0.366 0.000 1.079 368 L CA 2.084 56.791 54.840 -0.222 0.000 0.752 368 L CB -0.713 41.259 42.059 -0.144 0.000 0.906 368 L HN 0.298 nan 8.230 nan 0.000 0.436 369 A N -0.360 122.167 122.820 -0.489 0.000 1.940 369 A HA -0.253 4.066 4.320 -0.002 0.000 0.219 369 A C 2.429 179.731 177.584 -0.470 0.000 1.176 369 A CA 1.860 53.483 52.037 -0.690 0.000 0.631 369 A CB -0.591 17.423 19.000 -1.643 0.000 0.814 369 A HN 0.490 nan 8.150 nan 0.000 0.446 370 R N 0.183 120.462 120.500 -0.369 0.000 2.073 370 R HA -0.041 4.298 4.340 -0.002 0.000 0.229 370 R C 1.889 178.013 176.300 -0.293 0.000 1.120 370 R CA 1.912 57.894 56.100 -0.196 0.000 0.967 370 R CB -0.564 29.702 30.300 -0.057 0.000 0.862 370 R HN 0.658 nan 8.270 nan 0.000 0.436 371 E N -0.074 119.811 120.200 -0.525 0.000 2.058 371 E HA -0.198 4.151 4.350 -0.002 0.000 0.194 371 E C 1.789 178.132 176.600 -0.427 0.000 0.997 371 E CA 1.366 57.305 56.400 -0.768 0.000 0.801 371 E CB -0.185 29.134 29.700 -0.634 0.000 0.746 371 E HN 0.106 nan 8.360 nan 0.000 0.450 372 L N 0.036 121.058 121.223 -0.334 0.000 2.012 372 L HA -0.210 4.129 4.340 -0.002 0.000 0.210 372 L C 2.223 179.012 176.870 -0.135 0.000 1.073 372 L CA 1.721 56.410 54.840 -0.252 0.000 0.748 372 L CB -0.891 40.996 42.059 -0.287 0.000 0.891 372 L HN 0.210 nan 8.230 nan 0.000 0.431 373 Y N -0.533 119.634 120.300 -0.222 0.000 2.165 373 Y HA -0.325 4.224 4.550 -0.001 0.000 0.286 373 Y C 2.906 178.749 175.900 -0.095 0.000 1.155 373 Y CA 1.861 59.881 58.100 -0.134 0.000 1.164 373 Y CB -0.172 38.218 38.460 -0.116 0.000 0.978 373 Y HN 0.252 nan 8.280 nan 0.000 0.513 374 S N -0.499 115.183 115.700 -0.029 0.000 2.488 374 S HA -0.146 4.323 4.470 -0.002 0.000 0.246 374 S C 1.165 175.719 174.600 -0.078 0.000 0.992 374 S CA 1.591 59.782 58.200 -0.015 0.000 0.963 374 S CB -0.769 62.424 63.200 -0.012 0.000 0.754 374 S HN 0.445 nan 8.310 nan 0.000 0.519 375 V N -2.302 117.529 119.914 -0.139 0.000 3.261 375 V HA 0.469 4.588 4.120 -0.002 0.000 0.330 375 V C 0.296 176.306 176.094 -0.141 0.000 1.461 375 V CA 0.024 62.256 62.300 -0.113 0.000 1.127 375 V CB -1.497 30.277 31.823 -0.082 0.000 1.044 375 V HN 0.529 nan 8.190 nan 0.000 0.499 376 N N 0.796 119.366 118.700 -0.216 0.000 2.783 376 N HA -0.163 4.577 4.740 -0.002 0.000 0.247 376 N C 0.570 176.005 175.510 -0.125 0.000 1.089 376 N CA 1.071 53.993 53.050 -0.214 0.000 0.690 376 N CB -0.329 38.058 38.487 -0.168 0.000 0.991 376 N HN 0.477 nan 8.380 nan 0.000 0.552 377 M N -0.521 119.018 119.600 -0.102 0.000 2.296 377 M HA 0.094 4.573 4.480 -0.002 0.000 0.291 377 M C 1.654 177.976 176.300 0.037 0.000 1.013 377 M CA -0.034 55.241 55.300 -0.041 0.000 1.089 377 M CB -0.436 32.121 32.600 -0.071 0.000 1.677 377 M HN 0.266 nan 8.290 nan 0.000 0.584 378 L N 1.935 123.184 121.223 0.043 0.000 1.978 378 L HA -0.240 4.099 4.340 -0.002 0.000 0.218 378 L C 1.862 178.908 176.870 0.293 0.000 1.075 378 L CA 2.291 57.230 54.840 0.165 0.000 0.767 378 L CB -0.909 41.246 42.059 0.160 0.000 0.890 378 L HN 0.319 nan 8.230 nan 0.000 0.434 379 N N -1.687 117.097 118.700 0.140 0.000 2.216 379 N HA -0.165 4.574 4.740 -0.002 0.000 0.183 379 N C 1.813 177.382 175.510 0.098 0.000 1.017 379 N CA 1.460 54.559 53.050 0.082 0.000 0.861 379 N CB -0.145 38.345 38.487 0.005 0.000 0.986 379 N HN 0.667 nan 8.380 nan 0.000 0.428 380 T N -2.356 112.243 114.554 0.076 0.000 2.951 380 T HA -0.102 4.247 4.350 -0.002 0.000 0.268 380 T C 1.790 176.525 174.700 0.058 0.000 1.073 380 T CA 0.574 62.699 62.100 0.041 0.000 1.134 380 T CB -0.649 68.225 68.868 0.010 0.000 0.884 380 T HN 0.258 nan 8.240 nan 0.000 0.479 381 F N 0.493 120.418 119.950 -0.043 0.000 2.146 381 F HA 0.115 4.641 4.527 -0.002 0.000 0.298 381 F C 1.641 177.320 175.800 -0.202 0.000 1.096 381 F CA 1.113 59.027 58.000 -0.144 0.000 1.275 381 F CB -0.191 38.688 39.000 -0.200 0.000 1.008 381 F HN 0.157 nan 8.300 nan 0.000 0.480 382 F N -0.082 119.777 119.950 -0.152 0.000 2.325 382 F HA -0.178 4.348 4.527 -0.002 0.000 0.299 382 F C 2.128 177.764 175.800 -0.274 0.000 1.090 382 F CA 0.465 58.292 58.000 -0.289 0.000 1.392 382 F CB -0.292 38.520 39.000 -0.314 0.000 1.053 382 F HN -0.026 nan 8.300 nan 0.000 0.521 383 I N -0.155 120.391 120.570 -0.041 0.000 2.286 383 I HA -0.193 3.976 4.170 -0.002 0.000 0.245 383 I C 2.700 178.748 176.117 -0.114 0.000 1.104 383 I CA 1.268 62.527 61.300 -0.068 0.000 1.397 383 I CB -1.698 36.278 38.000 -0.040 0.000 1.072 383 I HN 0.051 nan 8.210 nan 0.000 0.417 384 A N 1.344 124.068 122.820 -0.161 0.000 1.903 384 A HA -0.219 4.100 4.320 -0.002 0.000 0.219 384 A C 2.382 179.824 177.584 -0.235 0.000 1.191 384 A CA 1.708 53.629 52.037 -0.193 0.000 0.638 384 A CB -0.965 17.897 19.000 -0.231 0.000 0.823 384 A HN 0.425 nan 8.150 nan 0.000 0.451 385 L N -1.360 119.641 121.223 -0.371 0.000 2.093 385 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 385 L C 2.860 179.649 176.870 -0.136 0.000 1.085 385 L CA 1.496 56.144 54.840 -0.319 0.000 0.755 385 L CB -0.552 41.224 42.059 -0.472 0.000 0.904 385 L HN 0.486 nan 8.230 nan 0.000 0.435 386 Q N -0.161 119.571 119.800 -0.115 0.000 2.187 386 Q HA -0.208 4.131 4.340 -0.002 0.000 0.199 386 Q C 2.120 178.174 176.000 0.089 0.000 0.957 386 Q CA 1.344 57.138 55.803 -0.015 0.000 0.857 386 Q CB 0.103 28.782 28.738 -0.098 0.000 0.929 386 Q HN 0.563 nan 8.270 nan 0.000 0.453 387 Q N 0.293 120.103 119.800 0.017 0.000 2.402 387 Q HA 0.035 4.374 4.340 -0.002 0.000 0.206 387 Q C 0.155 176.163 176.000 0.012 0.000 0.919 387 Q CA 0.449 56.268 55.803 0.028 0.000 0.923 387 Q CB 0.055 28.794 28.738 0.001 0.000 1.048 387 Q HN 0.030 nan 8.270 nan 0.000 0.515 388 D N 2.281 122.676 120.400 -0.009 0.000 2.417 388 D HA -0.002 4.637 4.640 -0.002 0.000 0.250 388 D C -1.339 174.971 176.300 0.017 0.000 1.166 388 D CA -1.420 52.574 54.000 -0.010 0.000 0.881 388 D CB 1.374 42.154 40.800 -0.033 0.000 1.164 388 D HN 0.048 nan 8.370 nan 0.000 0.467 389 P HA -0.148 nan 4.420 nan 0.000 0.218 389 P C 1.497 178.806 177.300 0.015 0.000 1.148 389 P CA 1.099 64.205 63.100 0.010 0.000 0.822 389 P CB 0.141 31.840 31.700 -0.002 0.000 0.784 390 I N -4.503 116.079 120.570 0.019 0.000 3.039 390 I HA 0.063 4.232 4.170 -0.002 0.000 0.270 390 I C 2.310 178.462 176.117 0.060 0.000 1.150 390 I CA 0.820 62.135 61.300 0.026 0.000 1.448 390 I CB -1.300 36.709 38.000 0.015 0.000 1.197 390 I HN -0.298 nan 8.210 nan 0.000 0.450 391 L N 1.540 122.800 121.223 0.061 0.000 2.275 391 L HA -0.070 4.269 4.340 -0.002 0.000 0.215 391 L C 2.499 179.431 176.870 0.104 0.000 1.119 391 L CA 1.418 56.307 54.840 0.082 0.000 0.790 391 L CB -0.627 41.439 42.059 0.011 0.000 0.919 391 L HN 0.553 nan 8.230 nan 0.000 0.443 392 S N -1.596 114.167 115.700 0.104 0.000 2.522 392 S HA -0.121 4.348 4.470 -0.002 0.000 0.227 392 S C 1.701 176.422 174.600 0.203 0.000 0.986 392 S CA 0.288 58.594 58.200 0.177 0.000 0.929 392 S CB 0.005 63.344 63.200 0.231 0.000 0.769 392 S HN 0.476 nan 8.310 nan 0.000 0.529 393 Q N 0.987 120.866 119.800 0.133 0.000 2.354 393 Q HA 0.203 4.542 4.340 -0.002 0.000 0.203 393 Q C 0.897 176.962 176.000 0.107 0.000 0.933 393 Q CA 0.456 56.319 55.803 0.099 0.000 0.901 393 Q CB 0.320 29.080 28.738 0.037 0.000 1.007 393 Q HN 0.695 nan 8.270 nan 0.000 0.495 394 V N -0.778 119.222 119.914 0.143 0.000 2.953 394 V HA 0.245 4.364 4.120 -0.002 0.000 0.304 394 V C -0.163 176.043 176.094 0.187 0.000 1.073 394 V CA -1.021 61.371 62.300 0.154 0.000 1.064 394 V CB 1.107 33.065 31.823 0.225 0.000 1.047 394 V HN -0.010 nan 8.190 nan 0.000 0.478 395 K N 2.774 123.263 120.400 0.149 0.000 2.295 395 K HA 0.604 4.923 4.320 -0.002 0.000 0.270 395 K C -0.847 175.885 176.600 0.220 0.000 1.011 395 K CA -0.105 56.277 56.287 0.157 0.000 0.953 395 K CB 0.701 33.256 32.500 0.092 0.000 0.956 395 K HN 0.637 nan 8.250 nan 0.000 0.477 396 L N 3.826 125.184 121.223 0.226 0.000 2.436 396 L HA 0.518 4.857 4.340 -0.002 0.000 0.268 396 L C -0.953 175.895 176.870 -0.036 0.000 0.974 396 L CA -0.611 54.394 54.840 0.275 0.000 0.826 396 L CB 1.631 44.016 42.059 0.543 0.000 1.291 396 L HN 0.529 nan 8.230 nan 0.000 0.406 397 I N 2.325 122.870 120.570 -0.041 0.000 2.512 397 I HA 0.707 4.876 4.170 -0.002 0.000 0.287 397 I C -0.074 175.950 176.117 -0.154 0.000 1.069 397 I CA -0.003 61.172 61.300 -0.208 0.000 1.056 397 I CB 1.999 39.953 38.000 -0.077 0.000 1.229 397 I HN 0.776 nan 8.210 nan 0.000 0.429 398 A N 5.961 128.611 122.820 -0.284 0.000 3.988 398 A HA 0.869 5.188 4.320 -0.002 0.000 0.178 398 A C -0.984 176.633 177.584 0.056 0.000 0.740 398 A CA -0.324 51.712 52.037 -0.003 0.000 0.806 398 A CB 1.231 20.414 19.000 0.304 0.000 1.517 398 A HN 0.662 nan 8.150 nan 0.000 0.811 399 E N -0.292 120.082 120.200 0.291 0.000 2.433 399 E HA 0.629 4.978 4.350 -0.002 0.000 0.273 399 E C -3.057 173.788 176.600 0.408 0.000 0.950 399 E CA -2.094 54.505 56.400 0.331 0.000 0.796 399 E CB 2.139 32.022 29.700 0.305 0.000 1.330 399 E HN 0.353 nan 8.360 nan 0.000 0.455 400 P HA 0.156 nan 4.420 nan 0.000 0.277 400 P C -0.739 176.647 177.300 0.144 0.000 1.240 400 P CA -0.249 62.935 63.100 0.140 0.000 0.798 400 P CB 0.375 32.154 31.700 0.130 0.000 0.979 401 W N -0.191 121.067 121.300 -0.071 0.000 3.137 401 W HA 0.445 5.104 4.660 -0.002 0.000 0.324 401 W C -1.703 174.551 176.519 -0.443 0.000 1.253 401 W CA -0.655 56.589 57.345 -0.168 0.000 1.183 401 W CB 0.963 30.398 29.460 -0.042 0.000 1.424 401 W HN 0.195 nan 8.180 nan 0.000 0.566 402 D N 1.622 122.034 120.400 0.020 0.000 2.440 402 D HA 0.461 5.100 4.640 -0.002 0.000 0.252 402 D C -1.541 174.758 176.300 -0.003 0.000 1.180 402 D CA -0.319 53.625 54.000 -0.095 0.000 0.894 402 D CB 1.953 42.698 40.800 -0.092 0.000 1.111 402 D HN 0.252 nan 8.370 nan 0.000 0.544 403 V N 3.318 123.225 119.914 -0.012 0.000 2.815 403 V HA 0.806 4.925 4.120 -0.002 0.000 0.314 403 V C 1.232 177.059 176.094 -0.445 0.000 1.064 403 V CA 0.759 62.947 62.300 -0.187 0.000 0.952 403 V CB 1.284 32.972 31.823 -0.225 0.000 1.020 403 V HN 0.832 nan 8.190 nan 0.000 0.439 404 G N 4.135 112.590 108.800 -0.575 0.000 2.620 404 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.315 404 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.315 404 G C 0.439 175.277 174.900 -0.102 0.000 1.179 404 G CA 0.896 45.700 45.100 -0.494 0.000 0.971 404 G HN 1.032 nan 8.290 nan 0.000 0.544 405 Q N 1.996 121.775 119.800 -0.035 0.000 2.916 405 Q HA 0.479 4.818 4.340 -0.002 0.000 0.314 405 Q C 0.651 176.645 176.000 -0.009 0.000 1.194 405 Q CA 0.805 56.617 55.803 0.017 0.000 1.079 405 Q CB -0.496 28.284 28.738 0.069 0.000 1.322 405 Q HN 2.268 nan 8.270 nan 0.000 0.500 406 G N 0.591 109.368 108.800 -0.038 0.000 2.846 406 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.660 406 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.660 406 G C 0.381 175.256 174.900 -0.042 0.000 1.464 406 G CA -0.533 44.546 45.100 -0.035 0.000 0.891 406 G HN 1.168 nan 8.290 nan 0.000 0.552 407 G N -0.687 108.086 108.800 -0.046 0.000 2.578 407 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.275 407 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.275 407 G C 0.687 175.526 174.900 -0.102 0.000 1.271 407 G CA 1.307 46.389 45.100 -0.030 0.000 0.941 407 G HN 1.807 nan 8.290 nan 0.000 0.564 408 Y N -0.054 120.209 120.300 -0.062 0.000 2.503 408 Y HA 0.193 4.742 4.550 -0.002 0.000 0.277 408 Y C 2.102 178.064 175.900 0.103 0.000 1.102 408 Y CA 1.214 59.261 58.100 -0.087 0.000 1.261 408 Y CB 0.430 38.733 38.460 -0.263 0.000 1.096 408 Y HN 0.433 nan 8.280 nan 0.000 0.546 409 Q N -0.546 119.345 119.800 0.151 0.000 2.503 409 Q HA -0.144 4.195 4.340 -0.002 0.000 0.267 409 Q C -1.043 174.980 176.000 0.038 0.000 1.030 409 Q CA 0.642 56.514 55.803 0.115 0.000 1.041 409 Q CB -2.327 26.501 28.738 0.150 0.000 1.406 409 Q HN 0.211 nan 8.270 nan 0.000 0.524 410 V N -1.020 118.833 119.914 -0.102 0.000 2.540 410 V HA 0.620 4.739 4.120 -0.002 0.000 0.302 410 V C 1.628 177.529 176.094 -0.321 0.000 1.035 410 V CA 0.009 62.082 62.300 -0.378 0.000 0.873 410 V CB 1.765 32.979 31.823 -1.016 0.000 0.992 410 V HN 0.282 nan 8.190 nan 0.000 0.428 411 G N 4.082 112.726 108.800 -0.260 0.000 2.604 411 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.216 411 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.216 411 G C 0.305 175.076 174.900 -0.213 0.000 1.265 411 G CA 0.703 45.697 45.100 -0.176 0.000 0.804 411 G HN 0.672 nan 8.290 nan 0.000 0.579 412 N N -1.582 116.953 118.700 -0.275 0.000 2.312 412 N HA 0.586 5.325 4.740 -0.002 0.000 0.296 412 N C -1.384 173.857 175.510 -0.449 0.000 1.193 412 N CA -0.627 52.279 53.050 -0.241 0.000 0.773 412 N CB 1.965 40.377 38.487 -0.125 0.000 1.435 412 N HN 0.127 nan 8.380 nan 0.000 0.484 413 F N 0.910 120.656 119.950 -0.340 0.000 2.440 413 F HA 0.535 5.061 4.527 -0.001 0.000 0.328 413 F C -1.589 174.018 175.800 -0.322 0.000 1.070 413 F CA -1.712 56.050 58.000 -0.397 0.000 1.011 413 F CB 0.859 39.502 39.000 -0.595 0.000 1.226 413 F HN 0.293 nan 8.300 nan 0.000 0.491 414 P HA -0.060 nan 4.420 nan 0.000 0.271 414 P C -0.484 176.788 177.300 -0.047 0.000 1.233 414 P CA 0.167 63.181 63.100 -0.143 0.000 0.789 414 P CB 0.430 32.228 31.700 0.162 0.000 0.951 415 Y N -1.160 119.270 120.300 0.217 0.000 2.471 415 Y HA 0.135 4.684 4.550 -0.002 0.000 0.286 415 Y C 1.623 177.635 175.900 0.187 0.000 1.188 415 Y CA 0.530 58.736 58.100 0.177 0.000 1.286 415 Y CB -0.084 38.442 38.460 0.111 0.000 1.072 415 Y HN 0.308 nan 8.280 nan 0.000 0.517 416 Q N -0.785 119.216 119.800 0.335 0.000 2.147 416 Q HA -0.001 4.338 4.340 -0.002 0.000 0.287 416 Q C -0.729 175.459 176.000 0.314 0.000 0.863 416 Q CA -0.245 55.724 55.803 0.276 0.000 1.073 416 Q CB 0.428 29.296 28.738 0.217 0.000 1.298 416 Q HN 0.457 nan 8.270 nan 0.000 0.411 417 W N 1.074 122.473 121.300 0.164 0.000 2.218 417 W HA 0.564 5.223 4.660 -0.002 0.000 0.326 417 W C -0.874 175.716 176.519 0.118 0.000 1.276 417 W CA 0.328 57.777 57.345 0.173 0.000 1.210 417 W CB 0.852 30.423 29.460 0.185 0.000 1.143 417 W HN 0.197 nan 8.180 nan 0.000 0.563 418 A N 4.033 126.579 122.820 -0.458 0.000 2.609 418 A HA 0.591 4.910 4.320 -0.002 0.000 0.291 418 A C -1.688 175.628 177.584 -0.447 0.000 1.096 418 A CA -0.748 51.114 52.037 -0.292 0.000 0.684 418 A CB 2.011 20.979 19.000 -0.054 0.000 1.282 418 A HN 0.628 nan 8.150 nan 0.000 0.412 419 E N 0.142 120.258 120.200 -0.140 0.000 2.275 419 E HA 0.265 4.614 4.350 -0.002 0.000 0.270 419 E C -1.667 175.060 176.600 0.211 0.000 0.882 419 E CA -0.558 55.844 56.400 0.004 0.000 0.758 419 E CB 1.393 31.127 29.700 0.056 0.000 1.195 419 E HN 0.575 nan 8.360 nan 0.000 0.419 420 W N 2.943 124.240 121.300 -0.005 0.000 2.879 420 W HA -0.038 4.621 4.660 -0.001 0.000 0.388 420 W C 0.740 177.381 176.519 0.204 0.000 1.315 420 W CA 0.222 57.600 57.345 0.056 0.000 1.400 420 W CB -0.774 28.657 29.460 -0.048 0.000 1.537 420 W HN 0.448 nan 8.180 nan 0.000 0.554 421 N N 2.292 121.206 118.700 0.355 0.000 2.454 421 N HA 0.062 4.801 4.740 -0.002 0.000 0.285 421 N C 1.655 177.351 175.510 0.309 0.000 1.233 421 N CA 0.273 53.477 53.050 0.257 0.000 1.036 421 N CB 0.169 38.723 38.487 0.111 0.000 1.423 421 N HN 0.581 nan 8.380 nan 0.000 0.495 422 G N 2.104 111.098 108.800 0.323 0.000 2.527 422 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.219 422 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.219 422 G C 1.281 176.274 174.900 0.155 0.000 1.117 422 G CA 0.792 46.089 45.100 0.328 0.000 0.759 422 G HN 0.531 nan 8.290 nan 0.000 0.556 423 K N -1.997 118.457 120.400 0.090 0.000 2.511 423 K HA 0.190 4.509 4.320 -0.002 0.000 0.209 423 K C 1.598 178.179 176.600 -0.033 0.000 1.301 423 K CA -0.502 55.800 56.287 0.025 0.000 0.967 423 K CB 0.201 32.727 32.500 0.042 0.000 1.109 423 K HN 0.194 nan 8.250 nan 0.000 0.561 424 Y N 2.805 123.022 120.300 -0.139 0.000 2.241 424 Y HA -0.306 4.243 4.550 -0.001 0.000 0.286 424 Y C 1.980 177.719 175.900 -0.269 0.000 1.166 424 Y CA 2.056 60.046 58.100 -0.183 0.000 1.203 424 Y CB 0.118 38.476 38.460 -0.170 0.000 0.977 424 Y HN -0.001 nan 8.280 nan 0.000 0.529 425 R N -0.602 119.687 120.500 -0.352 0.000 2.119 425 R HA -0.028 4.311 4.340 -0.002 0.000 0.222 425 R C 1.244 177.345 176.300 -0.332 0.000 1.088 425 R CA 1.722 57.523 56.100 -0.499 0.000 0.984 425 R CB -0.672 29.177 30.300 -0.751 0.000 0.884 425 R HN 0.199 nan 8.270 nan 0.000 0.447 426 D N 0.459 120.736 120.400 -0.204 0.000 2.310 426 D HA -0.030 4.609 4.640 -0.002 0.000 0.212 426 D C 1.226 177.376 176.300 -0.250 0.000 0.965 426 D CA 1.236 55.149 54.000 -0.144 0.000 0.879 426 D CB 0.254 41.012 40.800 -0.071 0.000 0.921 426 D HN 0.255 nan 8.370 nan 0.000 0.510 427 S N -0.189 115.356 115.700 -0.258 0.000 2.412 427 S HA 0.038 4.507 4.470 -0.002 0.000 0.223 427 S C 1.812 176.270 174.600 -0.237 0.000 1.048 427 S CA 0.078 58.128 58.200 -0.249 0.000 0.954 427 S CB 0.243 63.296 63.200 -0.245 0.000 0.840 427 S HN 0.146 nan 8.310 nan 0.000 0.503 428 I N 1.955 122.315 120.570 -0.350 0.000 2.394 428 I HA -0.004 4.165 4.170 -0.002 0.000 0.251 428 I C 1.573 177.794 176.117 0.173 0.000 1.136 428 I CA 1.165 62.370 61.300 -0.158 0.000 1.425 428 I CB -0.951 36.864 38.000 -0.309 0.000 1.079 428 I HN 0.186 nan 8.210 nan 0.000 0.425 429 R N 0.509 120.999 120.500 -0.017 0.000 2.541 429 R HA 0.116 4.455 4.340 -0.002 0.000 0.245 429 R C 1.445 177.819 176.300 0.124 0.000 1.154 429 R CA 0.064 56.226 56.100 0.103 0.000 1.179 429 R CB 0.228 30.478 30.300 -0.082 0.000 1.189 429 R HN 0.344 nan 8.270 nan 0.000 0.526 430 R N -1.981 118.563 120.500 0.073 0.000 2.650 430 R HA 0.077 4.416 4.340 -0.002 0.000 0.212 430 R C 1.297 177.608 176.300 0.017 0.000 0.904 430 R CA -0.053 56.042 56.100 -0.009 0.000 1.021 430 R CB 0.015 30.209 30.300 -0.177 0.000 1.519 430 R HN 0.102 nan 8.270 nan 0.000 0.639 431 F N 0.299 120.162 119.950 -0.144 0.000 2.113 431 F HA -0.154 4.372 4.527 -0.001 0.000 0.297 431 F C 1.383 177.054 175.800 -0.215 0.000 1.103 431 F CA 1.709 59.557 58.000 -0.254 0.000 1.248 431 F CB -0.057 38.678 39.000 -0.442 0.000 0.999 431 F HN 0.008 nan 8.300 nan 0.000 0.475 432 W N 0.436 121.859 121.300 0.204 0.000 2.519 432 W HA -0.000 4.658 4.660 -0.002 0.000 0.266 432 W C 2.579 179.119 176.519 0.035 0.000 1.253 432 W CA 0.560 57.957 57.345 0.086 0.000 1.274 432 W CB -0.293 29.228 29.460 0.101 0.000 1.114 432 W HN -0.120 nan 8.180 nan 0.000 0.596 433 R N 0.323 120.960 120.500 0.229 0.000 2.189 433 R HA 0.006 4.345 4.340 -0.002 0.000 0.218 433 R C 1.770 177.993 176.300 -0.129 0.000 1.074 433 R CA 1.414 57.563 56.100 0.082 0.000 0.991 433 R CB -0.293 30.053 30.300 0.077 0.000 0.883 433 R HN 0.282 nan 8.270 nan 0.000 0.457 434 G N 0.206 108.918 108.800 -0.146 0.000 2.284 434 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.216 434 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.216 434 G C -0.093 174.687 174.900 -0.200 0.000 1.009 434 G CA 0.067 45.036 45.100 -0.218 0.000 0.625 434 G HN 0.442 nan 8.290 nan 0.000 0.501 435 E N 0.926 121.028 120.200 -0.164 0.000 2.425 435 E HA 0.456 4.805 4.350 -0.002 0.000 0.258 435 E C 1.000 177.540 176.600 -0.101 0.000 1.151 435 E CA 0.013 56.338 56.400 -0.125 0.000 0.958 435 E CB 0.503 30.143 29.700 -0.101 0.000 0.968 435 E HN 0.816 nan 8.360 nan 0.000 0.451 436 A N 3.141 125.916 122.820 -0.075 0.000 2.526 436 A HA 0.072 4.391 4.320 -0.002 0.000 0.267 436 A C -0.604 176.967 177.584 -0.022 0.000 1.095 436 A CA 0.335 52.344 52.037 -0.047 0.000 0.775 436 A CB -0.244 18.732 19.000 -0.040 0.000 1.036 436 A HN 0.225 nan 8.150 nan 0.000 0.510 437 L N 5.475 126.712 121.223 0.023 0.000 2.404 437 L HA 0.394 4.733 4.340 -0.002 0.000 0.272 437 L C -2.381 174.604 176.870 0.192 0.000 0.980 437 L CA -1.712 53.172 54.840 0.073 0.000 0.836 437 L CB 1.761 43.863 42.059 0.071 0.000 1.238 437 L HN 0.370 nan 8.230 nan 0.000 0.408 438 P HA -0.036 nan 4.420 nan 0.000 0.269 438 P C -0.155 177.330 177.300 0.308 0.000 1.205 438 P CA 0.331 63.553 63.100 0.204 0.000 0.780 438 P CB 0.598 32.365 31.700 0.111 0.000 0.858 439 Y N -0.532 119.776 120.300 0.013 0.000 2.442 439 Y HA 0.022 4.571 4.550 -0.002 0.000 0.250 439 Y C 2.093 177.926 175.900 -0.111 0.000 1.113 439 Y CA 0.621 58.705 58.100 -0.027 0.000 1.273 439 Y CB -0.353 38.085 38.460 -0.037 0.000 1.138 439 Y HN 0.291 nan 8.280 nan 0.000 0.522 440 S N -1.430 114.316 115.700 0.076 0.000 2.503 440 S HA -0.040 4.429 4.470 -0.002 0.000 0.217 440 S C 1.728 176.345 174.600 0.028 0.000 0.999 440 S CA 0.486 58.711 58.200 0.041 0.000 0.914 440 S CB 0.064 63.489 63.200 0.376 0.000 0.782 440 S HN 0.481 nan 8.310 nan 0.000 0.520 441 E N 1.469 121.683 120.200 0.023 0.000 2.006 441 E HA -0.082 4.267 4.350 -0.002 0.000 0.192 441 E C 1.560 178.100 176.600 -0.099 0.000 0.993 441 E CA 1.302 57.690 56.400 -0.019 0.000 0.808 441 E CB -0.215 29.480 29.700 -0.008 0.000 0.764 441 E HN 0.485 nan 8.360 nan 0.000 0.449 442 I N 1.182 121.648 120.570 -0.174 0.000 2.546 442 I HA -0.136 4.033 4.170 -0.002 0.000 0.255 442 I C 2.248 178.168 176.117 -0.328 0.000 1.163 442 I CA 0.945 62.063 61.300 -0.303 0.000 1.457 442 I CB -0.221 37.484 38.000 -0.492 0.000 1.092 442 I HN 0.195 nan 8.210 nan 0.000 0.434 443 A N 0.522 123.158 122.820 -0.307 0.000 1.972 443 A HA -0.208 4.111 4.320 -0.002 0.000 0.219 443 A C 2.158 179.588 177.584 -0.257 0.000 1.169 443 A CA 1.772 53.602 52.037 -0.346 0.000 0.635 443 A CB -0.591 18.217 19.000 -0.321 0.000 0.810 443 A HN 0.421 nan 8.150 nan 0.000 0.446 444 N N -0.360 118.248 118.700 -0.153 0.000 2.109 444 N HA -0.108 4.631 4.740 -0.002 0.000 0.188 444 N C 1.841 177.306 175.510 -0.075 0.000 1.034 444 N CA 1.022 54.016 53.050 -0.094 0.000 0.846 444 N CB -0.404 38.061 38.487 -0.036 0.000 1.010 444 N HN 0.283 nan 8.380 nan 0.000 0.425 445 R N 0.903 121.379 120.500 -0.041 0.000 2.113 445 R HA -0.112 4.227 4.340 -0.002 0.000 0.244 445 R C 2.045 178.440 176.300 0.157 0.000 1.142 445 R CA 0.890 57.065 56.100 0.125 0.000 0.953 445 R CB -1.194 29.107 30.300 0.002 0.000 0.860 445 R HN 0.221 nan 8.270 nan 0.000 0.438 446 L N 0.372 121.584 121.223 -0.018 0.000 2.291 446 L HA 0.003 4.342 4.340 -0.002 0.000 0.214 446 L C 2.357 179.128 176.870 -0.165 0.000 1.120 446 L CA 0.927 55.734 54.840 -0.056 0.000 0.799 446 L CB -0.598 41.372 42.059 -0.148 0.000 0.925 446 L HN 0.098 nan 8.230 nan 0.000 0.446 447 L N -1.167 119.931 121.223 -0.208 0.000 2.313 447 L HA 0.061 4.400 4.340 -0.002 0.000 0.214 447 L C 1.458 178.228 176.870 -0.168 0.000 1.119 447 L CA 1.051 55.752 54.840 -0.232 0.000 0.809 447 L CB 0.040 41.971 42.059 -0.214 0.000 0.933 447 L HN 0.505 nan 8.230 nan 0.000 0.449 448 G N -2.175 106.541 108.800 -0.141 0.000 2.425 448 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.177 448 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.177 448 G C 0.488 175.308 174.900 -0.133 0.000 0.999 448 G CA 0.100 45.106 45.100 -0.157 0.000 0.723 448 G HN 0.174 nan 8.290 nan 0.000 0.491 449 S N 0.458 116.105 115.700 -0.087 0.000 3.791 449 S HA -0.112 4.357 4.470 -0.002 0.000 0.393 449 S C -0.508 174.058 174.600 -0.057 0.000 0.936 449 S CA 1.208 59.381 58.200 -0.046 0.000 1.234 449 S CB -0.405 62.787 63.200 -0.014 0.000 0.891 449 S HN 0.631 nan 8.310 nan 0.000 0.519 450 P HA 0.103 nan 4.420 nan 0.000 0.249 450 P C 0.592 177.867 177.300 -0.041 0.000 1.229 450 P CA 0.960 64.019 63.100 -0.070 0.000 0.788 450 P CB -0.393 31.261 31.700 -0.077 0.000 1.072 451 D N -0.657 119.730 120.400 -0.022 0.000 2.363 451 D HA 0.042 4.681 4.640 -0.002 0.000 0.226 451 D C 0.550 176.848 176.300 -0.003 0.000 1.020 451 D CA 0.197 54.194 54.000 -0.006 0.000 0.892 451 D CB -0.375 40.430 40.800 0.008 0.000 0.900 451 D HN 0.147 nan 8.370 nan 0.000 0.531 457 N N 0.343 118.945 118.700 -0.164 0.000 2.184 457 N HA 0.052 4.791 4.740 -0.002 0.000 0.206 457 N C -0.247 175.228 175.510 -0.058 0.000 1.151 457 N CA -0.254 52.765 53.050 -0.050 0.000 0.878 457 N CB 0.315 38.845 38.487 0.072 0.000 1.014 457 N HN 0.719 nan 8.380 nan 0.000 0.512 458 K N 0.811 121.148 120.400 -0.104 0.000 3.078 458 K HA -0.239 4.080 4.320 -0.002 0.000 0.261 458 K C -1.184 175.353 176.600 -0.106 0.000 0.947 458 K CA 1.321 57.548 56.287 -0.101 0.000 0.702 458 K CB -2.641 29.808 32.500 -0.087 0.000 1.318 458 K HN 0.320 nan 8.250 nan 0.000 0.473 459 T N -2.789 111.687 114.554 -0.131 0.000 2.879 459 T HA 0.428 4.777 4.350 -0.002 0.000 0.290 459 T C -1.894 172.505 174.700 -0.503 0.000 0.993 459 T CA -1.970 59.972 62.100 -0.264 0.000 0.975 459 T CB 2.075 70.878 68.868 -0.108 0.000 0.981 459 T HN -0.204 nan 8.240 nan 0.000 0.439 460 P HA -0.187 nan 4.420 nan 0.000 0.219 460 P C 1.045 178.130 177.300 -0.359 0.000 1.151 460 P CA 1.327 64.124 63.100 -0.506 0.000 0.850 460 P CB -0.308 31.083 31.700 -0.515 0.000 0.784 461 F N -0.545 119.416 119.950 0.018 0.000 2.250 461 F HA -0.059 4.467 4.527 -0.002 0.000 0.301 461 F C 2.307 178.120 175.800 0.021 0.000 1.077 461 F CA 0.738 58.758 58.000 0.032 0.000 1.348 461 F CB -1.992 37.039 39.000 0.052 0.000 1.040 461 F HN -0.100 nan 8.300 nan 0.000 0.509 462 A N -0.849 122.037 122.820 0.109 0.000 2.172 462 A HA -0.020 4.299 4.320 -0.002 0.000 0.216 462 A C 1.449 179.038 177.584 0.008 0.000 1.154 462 A CA 0.743 52.819 52.037 0.065 0.000 0.701 462 A CB -0.577 18.443 19.000 0.033 0.000 0.789 462 A HN 0.236 nan 8.150 nan 0.000 0.465 463 S N -0.373 115.317 115.700 -0.017 0.000 2.457 463 S HA 0.529 4.998 4.470 -0.002 0.000 0.289 463 S C -0.473 174.109 174.600 -0.029 0.000 1.163 463 S CA -0.540 57.637 58.200 -0.039 0.000 1.078 463 S CB 0.132 63.269 63.200 -0.104 0.000 0.987 463 S HN 0.190 nan 8.310 nan 0.000 0.482 464 I N 5.573 126.151 120.570 0.013 0.000 2.269 464 I HA 0.182 4.351 4.170 -0.002 0.000 0.293 464 I C 0.116 176.198 176.117 -0.058 0.000 1.106 464 I CA 0.142 61.447 61.300 0.007 0.000 1.248 464 I CB 0.150 38.197 38.000 0.077 0.000 1.444 464 I HN 0.630 nan 8.210 nan 0.000 0.497 465 N N 6.730 125.290 118.700 -0.232 0.000 2.406 465 N HA 0.145 4.884 4.740 -0.002 0.000 0.265 465 N C -1.188 174.234 175.510 -0.147 0.000 1.203 465 N CA -0.160 52.575 53.050 -0.524 0.000 0.945 465 N CB 0.226 38.228 38.487 -0.807 0.000 1.165 465 N HN 0.455 nan 8.380 nan 0.000 0.485 466 Y N -0.255 119.946 120.300 -0.165 0.000 2.361 466 Y HA 0.407 4.956 4.550 -0.001 0.000 0.337 466 Y C 0.667 176.553 175.900 -0.024 0.000 0.965 466 Y CA -1.226 56.787 58.100 -0.146 0.000 1.091 466 Y CB 0.418 38.651 38.460 -0.379 0.000 1.182 466 Y HN 0.163 nan 8.280 nan 0.000 0.450 467 V N 0.352 120.227 119.914 -0.066 0.000 2.407 467 V HA 0.071 4.190 4.120 -0.002 0.000 0.245 467 V C 0.566 176.452 176.094 -0.346 0.000 1.041 467 V CA 1.424 63.555 62.300 -0.283 0.000 1.040 467 V CB -0.848 30.824 31.823 -0.253 0.000 0.671 467 V HN 0.924 nan 8.190 nan 0.000 0.455 468 T N -0.212 114.350 114.554 0.014 0.000 2.881 468 T HA 0.704 5.054 4.350 -0.002 0.000 0.290 468 T C -0.314 174.671 174.700 0.476 0.000 1.000 468 T CA 0.204 62.547 62.100 0.405 0.000 0.978 468 T CB 1.881 71.111 68.868 0.604 0.000 0.997 468 T HN 0.809 nan 8.240 nan 0.000 0.443 469 S N 1.061 117.106 115.700 0.575 0.000 2.768 469 S HA 0.366 4.835 4.470 -0.002 0.000 0.300 469 S C 0.650 175.234 174.600 -0.026 0.000 1.122 469 S CA -0.887 57.327 58.200 0.023 0.000 0.995 469 S CB 0.417 63.455 63.200 -0.269 0.000 1.195 469 S HN 1.008 nan 8.310 nan 0.000 0.547 470 H N -0.132 118.920 119.070 -0.030 0.000 3.262 470 H HA 0.353 4.908 4.556 -0.001 0.000 0.270 470 H C -0.755 174.516 175.328 -0.096 0.000 1.431 470 H CA -0.141 55.827 56.048 -0.133 0.000 1.237 470 H CB -0.774 28.830 29.762 -0.264 0.000 1.443 470 H HN 0.582 nan 8.280 nan 0.000 0.609 471 D N 0.199 120.461 120.400 -0.231 0.000 2.502 471 D HA 0.220 4.859 4.640 -0.002 0.000 0.232 471 D C 0.863 177.144 176.300 -0.032 0.000 1.137 471 D CA 0.673 54.643 54.000 -0.049 0.000 0.827 471 D CB 1.803 42.651 40.800 0.081 0.000 1.141 471 D HN 0.701 nan 8.370 nan 0.000 0.517 472 G N 0.468 108.979 108.800 -0.482 0.000 2.352 472 G HA2 0.286 4.245 3.960 -0.002 0.000 0.305 472 G HA3 0.286 4.245 3.960 -0.002 0.000 0.305 472 G C -0.021 174.078 174.900 -1.335 0.000 1.537 472 G CA -0.229 44.564 45.100 -0.511 0.000 0.959 472 G HN 0.034 nan 8.290 nan 0.000 0.668 473 F N -1.629 118.326 119.950 0.009 0.000 2.507 473 F HA -0.262 4.264 4.527 -0.002 0.000 0.745 473 F C 1.472 177.264 175.800 -0.013 0.000 0.517 473 F CA 1.822 59.813 58.000 -0.016 0.000 0.793 473 F CB -1.746 37.247 39.000 -0.012 0.000 1.733 473 F HN 2.484 nan 8.300 nan 0.000 0.275 474 T N 0.314 115.119 114.554 0.418 0.000 4.056 474 T HA -0.137 4.212 4.350 -0.002 0.000 0.356 474 T C -0.052 174.719 174.700 0.119 0.000 0.757 474 T CA 1.225 63.446 62.100 0.202 0.000 1.949 474 T CB -1.456 67.372 68.868 -0.067 0.000 1.834 474 T HN 0.962 nan 8.240 nan 0.000 0.846 475 L N -0.641 120.680 121.223 0.163 0.000 2.884 475 L HA 0.406 4.746 4.340 -0.002 0.000 0.155 475 L C 0.081 177.053 176.870 0.170 0.000 1.296 475 L CA -0.536 54.413 54.840 0.181 0.000 0.946 475 L CB 0.167 42.283 42.059 0.094 0.000 1.862 475 L HN 0.293 nan 8.230 nan 0.000 0.529 476 E N 2.945 123.236 120.200 0.152 0.000 2.868 476 E HA -0.139 4.210 4.350 -0.002 0.000 0.246 476 E C -0.717 175.936 176.600 0.088 0.000 0.962 476 E CA 0.907 57.371 56.400 0.107 0.000 0.955 476 E CB -0.001 29.715 29.700 0.026 0.000 0.903 476 E HN 0.426 nan 8.360 nan 0.000 0.524 477 D N 2.577 123.049 120.400 0.121 0.000 2.516 477 D HA -0.022 4.617 4.640 -0.002 0.000 0.241 477 D C 0.123 176.450 176.300 0.045 0.000 1.246 477 D CA -0.142 53.886 54.000 0.047 0.000 0.808 477 D CB 0.309 41.099 40.800 -0.016 0.000 1.147 477 D HN 0.204 nan 8.370 nan 0.000 0.527 478 L N 1.150 122.453 121.223 0.133 0.000 2.335 478 L HA 0.513 4.852 4.340 -0.002 0.000 0.268 478 L C -0.056 176.924 176.870 0.183 0.000 1.037 478 L CA -1.132 53.815 54.840 0.179 0.000 0.895 478 L CB 0.426 42.601 42.059 0.193 0.000 1.266 478 L HN -0.113 nan 8.230 nan 0.000 0.439 479 V N 3.367 123.384 119.914 0.172 0.000 2.299 479 V HA 0.439 4.558 4.120 -0.002 0.000 0.255 479 V C 0.959 177.146 176.094 0.154 0.000 1.100 479 V CA 0.907 63.316 62.300 0.181 0.000 0.938 479 V CB 0.831 32.750 31.823 0.160 0.000 1.139 479 V HN 0.975 nan 8.190 nan 0.000 0.490 480 S N 4.175 120.015 115.700 0.234 0.000 2.893 480 S HA 0.386 4.855 4.470 -0.002 0.000 0.258 480 S C -0.363 174.460 174.600 0.371 0.000 1.034 480 S CA -0.204 58.163 58.200 0.278 0.000 1.167 480 S CB 0.209 63.583 63.200 0.291 0.000 1.137 480 S HN 0.836 nan 8.310 nan 0.000 0.650 481 Y N 2.031 122.384 120.300 0.088 0.000 2.782 481 Y HA 0.404 4.954 4.550 -0.001 0.000 0.264 481 Y C -0.318 175.632 175.900 0.083 0.000 1.020 481 Y CA -0.397 57.751 58.100 0.080 0.000 1.223 481 Y CB 0.085 38.593 38.460 0.080 0.000 1.137 481 Y HN 0.314 nan 8.280 nan 0.000 0.560 486 N N 0.782 119.430 118.700 -0.087 0.000 2.466 486 N HA 0.007 4.746 4.740 -0.002 0.000 0.251 486 N C 1.150 176.569 175.510 -0.152 0.000 1.164 486 N CA -0.049 52.957 53.050 -0.074 0.000 0.888 486 N CB 0.435 38.952 38.487 0.049 0.000 1.177 486 N HN 0.416 nan 8.380 nan 0.000 0.498 487 E N 0.514 120.505 120.200 -0.348 0.000 2.075 487 E HA 0.065 4.414 4.350 -0.002 0.000 0.190 487 E C 1.950 178.381 176.600 -0.282 0.000 0.969 487 E CA 0.287 56.511 56.400 -0.294 0.000 0.815 487 E CB -0.172 29.341 29.700 -0.312 0.000 0.776 487 E HN 0.404 nan 8.360 nan 0.000 0.457 488 A N 1.707 124.343 122.820 -0.307 0.000 1.917 488 A HA -0.201 4.118 4.320 -0.002 0.000 0.219 488 A C 0.867 178.265 177.584 -0.309 0.000 1.182 488 A CA 1.174 53.072 52.037 -0.233 0.000 0.633 488 A CB -1.046 17.860 19.000 -0.156 0.000 0.819 488 A HN 0.249 nan 8.150 nan 0.000 0.448 489 N N 0.988 119.472 118.700 -0.360 0.000 2.412 489 N HA 0.351 5.090 4.740 -0.002 0.000 0.279 489 N C 0.490 175.383 175.510 -1.028 0.000 1.287 489 N CA 0.691 53.375 53.050 -0.610 0.000 0.948 489 N CB 0.426 38.731 38.487 -0.304 0.000 1.255 489 N HN 0.314 nan 8.380 nan 0.000 0.485 490 G N 1.930 110.140 108.800 -0.984 0.000 2.991 490 G HA2 0.185 4.144 3.960 -0.002 0.000 0.262 490 G HA3 0.185 4.144 3.960 -0.002 0.000 0.262 490 G C -0.565 173.982 174.900 -0.588 0.000 0.765 490 G CA -0.306 44.405 45.100 -0.648 0.000 2.051 490 G HN 0.663 nan 8.290 nan 0.000 0.602 491 F N -1.604 118.340 119.950 -0.010 0.000 2.824 491 F HA 0.301 4.827 4.527 -0.002 0.000 0.368 491 F C 0.387 176.182 175.800 -0.007 0.000 1.398 491 F CA -1.604 56.395 58.000 -0.000 0.000 1.142 491 F CB -0.376 38.633 39.000 0.016 0.000 1.997 491 F HN 0.045 nan 8.300 nan 0.000 0.598 492 N N 1.445 120.214 118.700 0.114 0.000 2.690 492 N HA -0.366 4.373 4.740 -0.002 0.000 0.249 492 N C 0.474 176.031 175.510 0.078 0.000 1.125 492 N CA 1.733 54.828 53.050 0.075 0.000 0.794 492 N CB -1.347 37.184 38.487 0.073 0.000 1.152 492 N HN 0.988 nan 8.380 nan 0.000 0.571 493 N N -1.426 117.341 118.700 0.112 0.000 2.948 493 N HA -0.220 4.519 4.740 -0.002 0.000 0.239 493 N C -0.640 174.935 175.510 0.109 0.000 0.954 493 N CA 1.273 54.377 53.050 0.091 0.000 0.941 493 N CB -0.460 38.047 38.487 0.033 0.000 1.101 493 N HN 0.568 nan 8.380 nan 0.000 0.579 494 Q N 1.070 120.945 119.800 0.124 0.000 2.771 494 Q HA 0.241 4.580 4.340 -0.002 0.000 0.239 494 Q C -1.357 174.660 176.000 0.029 0.000 1.231 494 Q CA -0.092 55.749 55.803 0.064 0.000 1.056 494 Q CB 0.298 29.055 28.738 0.032 0.000 1.284 494 Q HN 0.449 nan 8.270 nan 0.000 0.558 495 D N 0.251 120.682 120.400 0.051 0.000 2.878 495 D HA 0.506 5.145 4.640 -0.002 0.000 0.211 495 D C -0.109 176.216 176.300 0.043 0.000 1.271 495 D CA 0.176 54.181 54.000 0.008 0.000 0.845 495 D CB 1.137 41.968 40.800 0.052 0.000 1.679 495 D HN 0.547 nan 8.370 nan 0.000 0.536 496 G N 1.007 109.810 108.800 0.005 0.000 2.631 496 G HA2 -0.081 3.878 3.960 -0.002 0.000 0.504 496 G HA3 -0.081 3.878 3.960 -0.002 0.000 0.504 496 G C -0.063 174.864 174.900 0.044 0.000 1.306 496 G CA -0.546 44.578 45.100 0.041 0.000 0.897 496 G HN 0.616 nan 8.290 nan 0.000 0.520 497 M N 0.643 120.285 119.600 0.070 0.000 2.240 497 M HA 0.103 4.582 4.480 -0.002 0.000 0.317 497 M C 1.310 177.628 176.300 0.030 0.000 1.087 497 M CA 0.086 55.422 55.300 0.059 0.000 1.176 497 M CB 0.145 32.799 32.600 0.090 0.000 1.439 497 M HN 0.608 nan 8.290 nan 0.000 0.452 498 N N 1.033 119.732 118.700 -0.001 0.000 2.415 498 N HA 0.033 4.772 4.740 -0.002 0.000 0.174 498 N C -0.643 174.817 175.510 -0.083 0.000 1.048 498 N CA 0.643 53.679 53.050 -0.023 0.000 0.895 498 N CB 0.589 39.067 38.487 -0.014 0.000 1.036 498 N HN 0.670 nan 8.380 nan 0.000 0.449 499 E N -0.389 119.696 120.200 -0.191 0.000 2.415 499 E HA 0.304 4.653 4.350 -0.002 0.000 0.302 499 E C -0.986 175.237 176.600 -0.628 0.000 0.907 499 E CA -0.525 55.650 56.400 -0.376 0.000 0.798 499 E CB 0.485 29.901 29.700 -0.472 0.000 1.315 499 E HN -0.189 nan 8.360 nan 0.000 0.396 500 N N 1.698 120.204 118.700 -0.322 0.000 2.398 500 N HA 0.014 4.753 4.740 -0.002 0.000 0.188 500 N C -0.743 174.708 175.510 -0.098 0.000 1.122 500 N CA 0.211 53.154 53.050 -0.179 0.000 0.866 500 N CB -0.336 38.156 38.487 0.008 0.000 0.970 500 N HN 0.537 nan 8.380 nan 0.000 0.462 501 Y N -0.089 120.216 120.300 0.009 0.000 2.953 501 Y HA -0.260 4.289 4.550 -0.002 0.000 0.113 501 Y C 0.223 176.144 175.900 0.035 0.000 1.985 501 Y CA -0.260 57.842 58.100 0.005 0.000 0.995 501 Y CB -2.442 36.005 38.460 -0.021 0.000 1.624 501 Y HN 0.032 nan 8.280 nan 0.000 0.335 502 S N -0.752 115.045 115.700 0.162 0.000 2.627 502 S HA 0.768 5.237 4.470 -0.002 0.000 0.283 502 S C -0.630 174.108 174.600 0.229 0.000 1.127 502 S CA -1.135 57.189 58.200 0.207 0.000 0.863 502 S CB 2.421 65.734 63.200 0.188 0.000 1.121 502 S HN 0.468 nan 8.310 nan 0.000 0.479 503 W N 1.073 122.435 121.300 0.103 0.000 2.030 503 W HA 0.427 5.086 4.660 -0.003 0.000 0.371 503 W C 1.085 177.641 176.519 0.061 0.000 1.456 503 W CA -0.819 56.567 57.345 0.067 0.000 1.570 503 W CB 0.854 30.340 29.460 0.043 0.000 1.249 503 W HN 0.998 nan 8.180 nan 0.000 0.677 504 N N -0.374 118.715 118.700 0.648 0.000 2.415 504 N HA -0.018 4.721 4.740 -0.002 0.000 0.174 504 N C 1.114 176.666 175.510 0.071 0.000 1.048 504 N CA 0.596 53.817 53.050 0.284 0.000 0.895 504 N CB 0.048 38.668 38.487 0.223 0.000 1.036 504 N HN 0.389 nan 8.380 nan 0.000 0.449 505 c N -0.285 118.189 118.600 -0.210 0.000 4.378 505 c HA -0.158 4.411 4.570 -0.002 0.000 0.279 505 c C 1.198 175.104 174.090 -0.306 0.000 1.481 505 c CA 0.241 56.236 56.329 -0.556 0.000 1.849 505 c CB -2.254 40.033 42.510 -0.372 0.000 1.542 505 c HN 0.638 nan 8.230 nan 0.000 0.743 514 Q N -0.967 118.802 119.800 -0.052 0.000 2.104 514 Q HA 0.148 4.487 4.340 -0.002 0.000 0.240 514 Q C 1.103 177.061 176.000 -0.070 0.000 0.743 514 Q CA 0.557 56.324 55.803 -0.060 0.000 0.920 514 Q CB 0.649 29.358 28.738 -0.049 0.000 1.198 514 Q HN 0.483 nan 8.270 nan 0.000 0.465 515 N N 0.521 119.184 118.700 -0.062 0.000 2.422 515 N HA 0.217 4.956 4.740 -0.002 0.000 0.181 515 N C 0.958 176.420 175.510 -0.081 0.000 1.080 515 N CA 1.060 54.071 53.050 -0.066 0.000 0.893 515 N CB 0.298 38.756 38.487 -0.048 0.000 0.973 515 N HN 0.117 nan 8.380 nan 0.000 0.456 516 V N -1.114 118.751 119.914 -0.082 0.000 2.843 516 V HA 0.789 4.908 4.120 -0.002 0.000 0.366 516 V C 0.841 176.864 176.094 -0.119 0.000 1.283 516 V CA 0.593 62.835 62.300 -0.097 0.000 1.303 516 V CB 0.256 32.039 31.823 -0.067 0.000 1.418 516 V HN 0.765 nan 8.190 nan 0.000 0.598 517 V N -0.406 119.424 119.914 -0.139 0.000 4.095 517 V HA 0.260 4.379 4.120 -0.002 0.000 0.341 517 V C 1.276 177.267 176.094 -0.172 0.000 1.692 517 V CA 0.884 63.092 62.300 -0.152 0.000 1.448 517 V CB -0.604 31.153 31.823 -0.110 0.000 1.023 517 V HN 0.310 nan 8.190 nan 0.000 0.431 518 I N 0.878 121.344 120.570 -0.175 0.000 2.248 518 I HA -0.356 3.813 4.170 -0.002 0.000 0.248 518 I C 2.619 178.614 176.117 -0.203 0.000 1.107 518 I CA 2.893 64.094 61.300 -0.165 0.000 1.373 518 I CB 0.118 38.033 38.000 -0.141 0.000 1.055 518 I HN 0.703 nan 8.210 nan 0.000 0.418 519 c N -0.370 118.065 118.600 -0.274 0.000 2.448 519 c HA 0.067 4.636 4.570 -0.002 0.000 0.280 519 c C 2.584 176.508 174.090 -0.278 0.000 1.398 519 c CA -0.167 55.979 56.329 -0.305 0.000 1.774 519 c CB -1.459 40.783 42.510 -0.446 0.000 1.888 519 c HN 0.403 nan 8.230 nan 0.000 0.519 520 R N 1.727 122.078 120.500 -0.247 0.000 2.136 520 R HA -0.195 4.144 4.340 -0.002 0.000 0.242 520 R C 2.151 178.287 176.300 -0.274 0.000 1.131 520 R CA 2.402 58.369 56.100 -0.223 0.000 0.937 520 R CB -0.678 29.514 30.300 -0.180 0.000 0.863 520 R HN 0.602 nan 8.270 nan 0.000 0.435 521 E N 0.095 120.132 120.200 -0.272 0.000 2.409 521 E HA -0.095 4.254 4.350 -0.002 0.000 0.198 521 E C 0.797 177.181 176.600 -0.360 0.000 1.024 521 E CA 1.131 57.335 56.400 -0.327 0.000 0.861 521 E CB 0.196 29.751 29.700 -0.242 0.000 0.788 521 E HN 0.270 nan 8.360 nan 0.000 0.521 522 K N -0.733 119.468 120.400 -0.331 0.000 2.361 522 K HA 0.089 4.408 4.320 -0.002 0.000 0.194 522 K C 1.193 177.517 176.600 -0.460 0.000 1.032 522 K CA 0.118 56.186 56.287 -0.365 0.000 1.048 522 K CB 0.477 32.812 32.500 -0.275 0.000 0.842 522 K HN -0.015 nan 8.250 nan 0.000 0.526 523 Q N 0.950 120.497 119.800 -0.421 0.000 2.392 523 Q HA 0.146 4.485 4.340 -0.002 0.000 0.203 523 Q C 0.234 175.953 176.000 -0.469 0.000 0.917 523 Q CA 0.612 56.121 55.803 -0.490 0.000 0.939 523 Q CB 0.424 29.011 28.738 -0.253 0.000 1.063 523 Q HN 0.210 nan 8.270 nan 0.000 0.516 524 K N -0.265 119.884 120.400 -0.418 0.000 2.526 524 K HA 0.384 4.703 4.320 -0.002 0.000 0.256 524 K C 0.481 176.884 176.600 -0.327 0.000 1.035 524 K CA -0.794 55.277 56.287 -0.359 0.000 1.011 524 K CB 1.021 33.062 32.500 -0.765 0.000 1.343 524 K HN -0.220 nan 8.250 nan 0.000 0.510 525 R N -0.431 120.072 120.500 0.005 0.000 3.154 525 R HA -0.331 4.008 4.340 -0.002 0.000 0.235 525 R C 1.570 177.764 176.300 -0.178 0.000 0.808 525 R CA 1.975 58.000 56.100 -0.126 0.000 1.801 525 R CB -1.861 28.025 30.300 -0.689 0.000 1.411 525 R HN 0.830 nan 8.270 nan 0.000 0.589 526 N N 0.662 119.065 118.700 -0.496 0.000 2.051 526 N HA -0.158 4.581 4.740 -0.002 0.000 0.192 526 N C 1.528 176.675 175.510 -0.605 0.000 1.049 526 N CA 2.239 54.779 53.050 -0.850 0.000 0.845 526 N CB -0.891 36.588 38.487 -1.680 0.000 1.031 526 N HN 0.225 nan 8.380 nan 0.000 0.425 527 F N 1.073 120.738 119.950 -0.475 0.000 2.091 527 F HA -0.034 4.492 4.527 -0.002 0.000 0.299 527 F C 2.599 178.375 175.800 -0.040 0.000 1.103 527 F CA 0.856 58.734 58.000 -0.204 0.000 1.228 527 F CB -0.645 38.261 39.000 -0.155 0.000 0.984 527 F HN -0.054 nan 8.300 nan 0.000 0.477 528 M N 0.245 119.959 119.600 0.189 0.000 2.082 528 M HA -0.189 4.290 4.480 -0.002 0.000 0.258 528 M C 2.465 178.823 176.300 0.097 0.000 1.071 528 M CA 1.794 57.196 55.300 0.171 0.000 1.103 528 M CB -1.652 31.115 32.600 0.278 0.000 1.307 528 M HN 0.297 nan 8.290 nan 0.000 0.409 529 I N -1.214 119.411 120.570 0.093 0.000 2.454 529 I HA -0.164 4.005 4.170 -0.002 0.000 0.254 529 I C 2.260 178.405 176.117 0.046 0.000 1.156 529 I CA 1.819 63.139 61.300 0.033 0.000 1.433 529 I CB -1.774 36.252 38.000 0.043 0.000 1.082 529 I HN 0.321 nan 8.210 nan 0.000 0.432 530 T N -0.386 114.252 114.554 0.141 0.000 2.809 530 T HA -0.026 4.324 4.350 -0.002 0.000 0.260 530 T C 1.854 176.647 174.700 0.156 0.000 1.039 530 T CA 1.109 63.332 62.100 0.205 0.000 1.141 530 T CB -0.876 68.228 68.868 0.392 0.000 0.869 530 T HN 0.366 nan 8.240 nan 0.000 0.437 531 L N 0.596 121.910 121.223 0.152 0.000 2.017 531 L HA 0.106 4.445 4.340 -0.002 0.000 0.208 531 L C 2.232 179.065 176.870 -0.061 0.000 1.073 531 L CA 1.510 56.419 54.840 0.114 0.000 0.745 531 L CB -0.804 41.322 42.059 0.112 0.000 0.894 531 L HN 0.164 nan 8.230 nan 0.000 0.432 532 L N -1.138 120.011 121.223 -0.124 0.000 2.291 532 L HA -0.071 4.268 4.340 -0.002 0.000 0.214 532 L C 2.503 179.151 176.870 -0.370 0.000 1.120 532 L CA 1.104 55.752 54.840 -0.319 0.000 0.799 532 L CB -0.877 41.051 42.059 -0.219 0.000 0.925 532 L HN 0.250 nan 8.230 nan 0.000 0.446 533 V N -1.193 118.621 119.914 -0.167 0.000 2.725 533 V HA 0.020 4.139 4.120 -0.002 0.000 0.247 533 V C 1.351 177.578 176.094 0.221 0.000 1.058 533 V CA 0.206 62.484 62.300 -0.036 0.000 1.080 533 V CB 0.360 32.214 31.823 0.051 0.000 0.713 533 V HN 0.322 nan 8.190 nan 0.000 0.465 534 S N 1.478 117.245 115.700 0.112 0.000 2.561 534 S HA 0.010 4.479 4.470 -0.002 0.000 0.294 534 S C 0.035 174.665 174.600 0.051 0.000 1.294 534 S CA 0.100 58.344 58.200 0.074 0.000 1.055 534 S CB 0.201 63.417 63.200 0.026 0.000 0.819 534 S HN 0.489 nan 8.310 nan 0.000 0.503 535 Q N 1.310 121.131 119.800 0.034 0.000 2.327 535 Q HA 0.537 4.876 4.340 -0.002 0.000 0.254 535 Q C 0.888 176.874 176.000 -0.024 0.000 0.952 535 Q CA 0.338 56.174 55.803 0.055 0.000 0.884 535 Q CB 1.151 29.884 28.738 -0.007 0.000 1.224 535 Q HN 0.994 nan 8.270 nan 0.000 0.422 536 G N 1.247 110.085 108.800 0.063 0.000 2.250 536 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.189 536 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.189 536 G C -1.069 173.912 174.900 0.135 0.000 1.298 536 G CA -0.231 44.893 45.100 0.040 0.000 1.246 536 G HN 0.838 nan 8.290 nan 0.000 0.513 537 T N -0.104 114.478 114.554 0.048 0.000 2.879 537 T HA 0.771 5.120 4.350 -0.002 0.000 0.290 537 T C -3.317 171.365 174.700 -0.030 0.000 0.993 537 T CA -1.304 60.841 62.100 0.075 0.000 0.975 537 T CB 3.189 72.129 68.868 0.120 0.000 0.981 537 T HN 0.574 nan 8.240 nan 0.000 0.439 538 P HA 0.528 nan 4.420 nan 0.000 0.290 538 P C -1.097 176.200 177.300 -0.005 0.000 1.275 538 P CA -0.940 62.114 63.100 -0.077 0.000 0.841 538 P CB 1.240 32.850 31.700 -0.150 0.000 1.042 539 M N 2.954 122.554 119.600 -0.001 0.000 2.190 539 M HA 0.408 4.887 4.480 -0.002 0.000 0.312 539 M C -1.337 174.975 176.300 0.020 0.000 0.990 539 M CA -1.009 54.296 55.300 0.008 0.000 0.927 539 M CB 0.802 33.367 32.600 -0.058 0.000 1.571 539 M HN 0.129 nan 8.290 nan 0.000 0.427 540 I N 5.379 125.957 120.570 0.013 0.000 2.325 540 I HA 0.222 4.391 4.170 -0.002 0.000 0.291 540 I C 0.067 176.115 176.117 -0.114 0.000 1.019 540 I CA -0.571 60.721 61.300 -0.014 0.000 1.302 540 I CB 0.760 38.766 38.000 0.011 0.000 1.401 540 I HN 0.565 nan 8.210 nan 0.000 0.485 541 L N 5.215 126.407 121.223 -0.052 0.000 2.714 541 L HA -0.063 4.276 4.340 -0.002 0.000 0.301 541 L C 1.010 177.720 176.870 -0.266 0.000 1.248 541 L CA 0.840 55.627 54.840 -0.089 0.000 0.885 541 L CB -0.343 41.720 42.059 0.007 0.000 1.143 541 L HN 0.896 nan 8.230 nan 0.000 0.500 542 G N 3.247 111.865 108.800 -0.304 0.000 2.340 542 G HA2 0.371 4.330 3.960 -0.002 0.000 0.245 542 G HA3 0.371 4.330 3.960 -0.002 0.000 0.245 542 G C 0.839 175.577 174.900 -0.271 0.000 1.294 542 G CA 0.165 45.079 45.100 -0.309 0.000 0.896 542 G HN 1.580 nan 8.290 nan 0.000 0.522 543 G N 2.465 111.206 108.800 -0.098 0.000 2.295 543 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.287 543 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.287 543 G C 0.457 175.220 174.900 -0.228 0.000 1.055 543 G CA 0.527 45.447 45.100 -0.301 0.000 0.922 543 G HN 0.659 nan 8.290 nan 0.000 0.503 544 D N 0.055 120.432 120.400 -0.039 0.000 2.305 544 D HA 0.144 4.783 4.640 -0.002 0.000 0.206 544 D C 2.204 178.681 176.300 0.296 0.000 0.974 544 D CA 1.258 55.315 54.000 0.096 0.000 0.871 544 D CB 0.051 40.935 40.800 0.140 0.000 0.947 544 D HN 0.663 nan 8.370 nan 0.000 0.516 545 E N 0.491 120.826 120.200 0.225 0.000 2.216 545 E HA -0.015 4.334 4.350 -0.002 0.000 0.192 545 E C 1.649 178.388 176.600 0.232 0.000 0.988 545 E CA 0.479 57.004 56.400 0.208 0.000 0.834 545 E CB -0.590 29.156 29.700 0.077 0.000 0.772 545 E HN 0.241 nan 8.360 nan 0.000 0.479 546 L N 0.763 122.037 121.223 0.085 0.000 2.610 546 L HA 0.137 4.476 4.340 -0.002 0.000 0.232 546 L C -0.170 176.680 176.870 -0.033 0.000 1.149 546 L CA -0.038 54.773 54.840 -0.048 0.000 0.872 546 L CB -0.690 41.167 42.059 -0.337 0.000 0.992 546 L HN -0.061 nan 8.230 nan 0.000 0.447 547 S N 0.505 116.240 115.700 0.059 0.000 3.572 547 S HA -0.197 4.272 4.470 -0.002 0.000 0.394 547 S C 0.664 175.205 174.600 -0.097 0.000 0.923 547 S CA 0.395 58.586 58.200 -0.015 0.000 1.291 547 S CB -1.180 61.989 63.200 -0.051 0.000 0.914 547 S HN 0.523 nan 8.310 nan 0.000 0.545 548 R N 0.234 120.646 120.500 -0.147 0.000 2.863 548 R HA 0.418 4.757 4.340 -0.002 0.000 0.273 548 R C 0.552 176.775 176.300 -0.128 0.000 1.057 548 R CA 0.656 56.630 56.100 -0.209 0.000 1.191 548 R CB 0.479 30.579 30.300 -0.333 0.000 1.104 548 R HN 0.410 nan 8.270 nan 0.000 0.519 549 T N -0.034 114.450 114.554 -0.116 0.000 2.889 549 T HA 0.184 4.533 4.350 -0.002 0.000 0.315 549 T C -0.985 173.662 174.700 -0.089 0.000 1.291 549 T CA -0.630 61.416 62.100 -0.090 0.000 1.028 549 T CB 1.570 70.387 68.868 -0.084 0.000 1.235 549 T HN 0.638 nan 8.240 nan 0.000 0.491 550 Q N 1.893 121.635 119.800 -0.096 0.000 2.112 550 Q HA 0.281 4.620 4.340 -0.002 0.000 0.222 550 Q C 0.148 176.061 176.000 -0.145 0.000 0.798 550 Q CA -0.408 55.334 55.803 -0.102 0.000 1.060 550 Q CB 0.669 29.366 28.738 -0.069 0.000 1.184 550 Q HN 0.743 nan 8.270 nan 0.000 0.475 551 R N 0.183 120.586 120.500 -0.161 0.000 3.502 551 R HA -0.293 4.046 4.340 -0.002 0.000 0.266 551 R C 0.814 176.965 176.300 -0.248 0.000 1.077 551 R CA 0.612 56.583 56.100 -0.215 0.000 0.718 551 R CB -1.980 28.133 30.300 -0.311 0.000 1.120 551 R HN 0.697 nan 8.270 nan 0.000 0.457 552 G N -1.378 107.269 108.800 -0.256 0.000 2.307 552 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.210 552 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.210 552 G C 0.049 174.675 174.900 -0.457 0.000 1.005 552 G CA -0.070 44.684 45.100 -0.575 0.000 0.634 552 G HN 0.369 nan 8.290 nan 0.000 0.496 553 N N 1.758 120.362 118.700 -0.159 0.000 2.492 553 N HA 0.280 5.019 4.740 -0.002 0.000 0.260 553 N C 0.963 176.434 175.510 -0.067 0.000 1.215 553 N CA 0.600 53.609 53.050 -0.067 0.000 0.923 553 N CB 0.627 39.113 38.487 -0.002 0.000 1.092 553 N HN 0.566 nan 8.380 nan 0.000 0.448 554 N N 1.171 119.863 118.700 -0.013 0.000 2.238 554 N HA 0.062 4.801 4.740 -0.002 0.000 0.235 554 N C -0.494 175.084 175.510 0.114 0.000 1.209 554 N CA -0.185 52.883 53.050 0.030 0.000 0.879 554 N CB -0.082 38.450 38.487 0.076 0.000 1.136 554 N HN 0.486 nan 8.380 nan 0.000 0.517 555 N N -0.105 118.658 118.700 0.105 0.000 2.498 555 N HA 0.186 4.925 4.740 -0.002 0.000 0.272 555 N C -1.025 174.415 175.510 -0.117 0.000 1.534 555 N CA -0.106 52.978 53.050 0.057 0.000 0.873 555 N CB 0.354 38.893 38.487 0.087 0.000 1.415 555 N HN 0.246 nan 8.380 nan 0.000 0.496 556 A N 0.992 123.774 122.820 -0.064 0.000 3.004 556 A HA 0.183 4.502 4.320 -0.002 0.000 0.252 556 A C 0.787 178.063 177.584 -0.514 0.000 1.802 556 A CA -0.309 51.647 52.037 -0.135 0.000 1.424 556 A CB -1.628 17.417 19.000 0.074 0.000 1.005 556 A HN 0.569 nan 8.150 nan 0.000 0.631 557 F N -0.998 118.290 119.950 -1.103 0.000 2.698 557 F HA 0.123 4.649 4.527 -0.002 0.000 0.295 557 F C 1.066 176.680 175.800 -0.309 0.000 1.124 557 F CA 0.139 57.275 58.000 -1.440 0.000 1.426 557 F CB -0.386 37.895 39.000 -1.197 0.000 1.120 557 F HN 0.312 nan 8.300 nan 0.000 0.583 558 C N 0.680 119.403 119.300 -0.961 0.000 2.660 558 C HA 0.470 4.929 4.460 -0.002 0.000 0.265 558 C C -0.014 174.782 174.990 -0.322 0.000 1.573 558 C CA -0.560 58.121 59.018 -0.562 0.000 1.751 558 C CB -1.242 26.035 27.740 -0.771 0.000 3.033 558 C HN 0.328 nan 8.230 nan 0.000 0.511 559 Q N 1.491 121.115 119.800 -0.294 0.000 2.706 559 Q HA 0.196 4.535 4.340 -0.002 0.000 0.250 559 Q C -0.572 175.020 176.000 -0.679 0.000 1.120 559 Q CA 0.318 55.881 55.803 -0.400 0.000 0.972 559 Q CB 0.775 29.284 28.738 -0.383 0.000 1.173 559 Q HN 0.494 nan 8.270 nan 0.000 0.522 560 D N 1.762 121.967 120.400 -0.325 0.000 2.934 560 D HA 0.085 4.724 4.640 -0.002 0.000 0.237 560 D C -0.583 175.521 176.300 -0.327 0.000 1.158 560 D CA 0.294 54.231 54.000 -0.104 0.000 0.971 560 D CB -0.028 41.023 40.800 0.417 0.000 1.123 560 D HN 0.164 nan 8.370 nan 0.000 0.467 561 N N -0.143 117.939 118.700 -1.030 0.000 3.038 561 N HA 0.172 4.911 4.740 -0.002 0.000 0.307 561 N C 1.090 175.541 175.510 -1.764 0.000 1.441 561 N CA -0.544 51.776 53.050 -1.215 0.000 0.772 561 N CB 0.852 38.971 38.487 -0.613 0.000 1.651 561 N HN -0.073 nan 8.380 nan 0.000 0.593 562 E N 0.419 120.010 120.200 -1.015 0.000 2.204 562 E HA -0.030 4.319 4.350 -0.002 0.000 0.195 562 E C 1.677 178.039 176.600 -0.397 0.000 0.990 562 E CA 0.577 56.637 56.400 -0.566 0.000 0.821 562 E CB -0.147 29.398 29.700 -0.258 0.000 0.750 562 E HN 0.530 nan 8.360 nan 0.000 0.477 563 I N 1.408 121.725 120.570 -0.423 0.000 2.145 563 I HA -0.315 3.854 4.170 -0.002 0.000 0.244 563 I C 2.168 178.152 176.117 -0.222 0.000 1.075 563 I CA 2.070 63.199 61.300 -0.286 0.000 1.332 563 I CB -0.601 37.238 38.000 -0.270 0.000 1.033 563 I HN 0.151 nan 8.210 nan 0.000 0.410 564 T N -2.068 112.284 114.554 -0.336 0.000 3.033 564 T HA 0.009 4.359 4.350 -0.002 0.000 0.248 564 T C 0.309 175.141 174.700 0.221 0.000 1.040 564 T CA -0.229 61.811 62.100 -0.099 0.000 1.133 564 T CB -0.247 68.441 68.868 -0.300 0.000 0.895 564 T HN 0.083 nan 8.240 nan 0.000 0.465 565 W N 2.342 123.700 121.300 0.097 0.000 2.264 565 W HA 0.340 4.999 4.660 -0.001 0.000 0.331 565 W C -0.375 176.360 176.519 0.361 0.000 1.364 565 W CA -2.168 55.326 57.345 0.248 0.000 1.253 565 W CB -1.016 28.533 29.460 0.148 0.000 1.215 565 W HN 0.043 nan 8.180 nan 0.000 0.561 566 F N 2.183 122.342 119.950 0.350 0.000 2.569 566 F HA -0.105 4.422 4.527 -0.001 0.000 0.395 566 F C 1.021 176.860 175.800 0.065 0.000 1.028 566 F CA -0.320 57.752 58.000 0.120 0.000 1.158 566 F CB -0.528 38.537 39.000 0.108 0.000 1.023 566 F HN 0.165 nan 8.300 nan 0.000 0.547 567 D N 3.577 124.017 120.400 0.066 0.000 2.352 567 D HA 0.086 4.725 4.640 -0.002 0.000 0.245 567 D C 0.246 176.521 176.300 -0.043 0.000 1.224 567 D CA 0.051 54.093 54.000 0.069 0.000 0.879 567 D CB 0.225 41.041 40.800 0.027 0.000 1.057 567 D HN 0.451 nan 8.370 nan 0.000 0.491 568 W N 2.403 123.747 121.300 0.073 0.000 2.942 568 W HA 0.063 4.722 4.660 -0.001 0.000 0.263 568 W C 0.726 177.253 176.519 0.013 0.000 1.296 568 W CA -0.501 56.859 57.345 0.025 0.000 1.504 568 W CB 0.003 29.446 29.460 -0.027 0.000 1.096 568 W HN 0.363 nan 8.180 nan 0.000 0.639 569 N N 3.187 122.010 118.700 0.206 0.000 2.416 569 N HA 0.036 4.775 4.740 -0.002 0.000 0.265 569 N C -0.345 175.217 175.510 0.086 0.000 1.195 569 N CA 0.155 53.282 53.050 0.129 0.000 0.943 569 N CB 0.408 38.954 38.487 0.098 0.000 1.115 569 N HN 0.187 nan 8.380 nan 0.000 0.481 570 L N -0.654 120.619 121.223 0.085 0.000 2.623 570 L HA 0.161 4.500 4.340 -0.002 0.000 0.281 570 L C 0.635 177.534 176.870 0.048 0.000 1.150 570 L CA -0.255 54.625 54.840 0.066 0.000 0.965 570 L CB -0.103 42.003 42.059 0.079 0.000 1.303 570 L HN 0.410 nan 8.230 nan 0.000 0.467 571 D N 4.247 124.666 120.400 0.032 0.000 2.848 571 D HA -0.064 4.575 4.640 -0.002 0.000 0.232 571 D C 0.931 177.243 176.300 0.021 0.000 1.107 571 D CA 0.340 54.352 54.000 0.020 0.000 1.020 571 D CB 0.194 40.997 40.800 0.005 0.000 1.148 571 D HN 0.907 nan 8.370 nan 0.000 0.453 572 E N 0.213 120.433 120.200 0.035 0.000 4.429 572 E HA -0.302 4.047 4.350 -0.002 0.000 0.185 572 E C 0.537 177.157 176.600 0.033 0.000 1.272 572 E CA 1.480 57.900 56.400 0.033 0.000 2.340 572 E CB -0.712 29.001 29.700 0.021 0.000 1.837 572 E HN 0.551 nan 8.360 nan 0.000 0.389 573 R N 1.290 121.799 120.500 0.016 0.000 4.048 573 R HA 0.211 4.550 4.340 -0.002 0.000 0.290 573 R C 0.444 176.742 176.300 -0.002 0.000 1.519 573 R CA -0.163 55.941 56.100 0.007 0.000 1.446 573 R CB 0.614 30.902 30.300 -0.020 0.000 1.455 573 R HN -0.026 nan 8.270 nan 0.000 0.706 574 K N 0.443 120.861 120.400 0.030 0.000 2.157 574 K HA 0.017 4.336 4.320 -0.002 0.000 0.207 574 K C 1.803 178.485 176.600 0.137 0.000 1.030 574 K CA 1.132 57.466 56.287 0.078 0.000 0.965 574 K CB -0.935 31.608 32.500 0.071 0.000 0.877 574 K HN 0.226 nan 8.250 nan 0.000 0.460 575 S N 1.672 117.439 115.700 0.111 0.000 2.420 575 S HA -0.168 4.301 4.470 -0.002 0.000 0.237 575 S C 1.748 176.439 174.600 0.153 0.000 1.023 575 S CA 1.334 59.611 58.200 0.128 0.000 0.991 575 S CB -0.129 63.132 63.200 0.103 0.000 0.792 575 S HN 0.260 nan 8.310 nan 0.000 0.488 576 K N -0.573 119.918 120.400 0.152 0.000 2.152 576 K HA -0.117 4.202 4.320 -0.002 0.000 0.206 576 K C 1.696 178.446 176.600 0.250 0.000 1.048 576 K CA 1.578 57.969 56.287 0.174 0.000 0.933 576 K CB -0.330 32.260 32.500 0.150 0.000 0.721 576 K HN 0.543 nan 8.250 nan 0.000 0.447 577 F N 1.434 121.440 119.950 0.094 0.000 2.234 577 F HA -0.084 4.442 4.527 -0.001 0.000 0.296 577 F C 1.911 177.823 175.800 0.187 0.000 1.089 577 F CA 0.516 58.581 58.000 0.109 0.000 1.343 577 F CB -0.287 38.729 39.000 0.026 0.000 1.040 577 F HN -0.122 nan 8.300 nan 0.000 0.498 578 L N 0.769 122.051 121.223 0.099 0.000 2.042 578 L HA -0.194 4.145 4.340 -0.002 0.000 0.210 578 L C 2.082 178.966 176.870 0.023 0.000 1.076 578 L CA 2.148 57.006 54.840 0.030 0.000 0.749 578 L CB -0.980 41.162 42.059 0.138 0.000 0.893 578 L HN 0.131 nan 8.230 nan 0.000 0.432 579 E N -1.497 118.755 120.200 0.088 0.000 2.418 579 E HA -0.187 4.162 4.350 -0.002 0.000 0.197 579 E C 1.684 178.335 176.600 0.086 0.000 1.026 579 E CA 0.784 57.235 56.400 0.085 0.000 0.862 579 E CB -0.247 29.518 29.700 0.109 0.000 0.799 579 E HN 0.629 nan 8.360 nan 0.000 0.518 580 F N -0.947 118.958 119.950 -0.074 0.000 2.164 580 F HA -0.060 4.467 4.527 -0.001 0.000 0.287 580 F C 1.886 177.574 175.800 -0.187 0.000 1.086 580 F CA 0.788 58.729 58.000 -0.098 0.000 1.249 580 F CB -0.362 38.578 39.000 -0.099 0.000 1.059 580 F HN -0.136 nan 8.300 nan 0.000 0.490 581 V N 1.499 121.271 119.914 -0.238 0.000 2.282 581 V HA -0.379 3.740 4.120 -0.002 0.000 0.249 581 V C 2.367 178.335 176.094 -0.209 0.000 1.057 581 V CA 2.376 64.505 62.300 -0.286 0.000 1.032 581 V CB -0.868 30.769 31.823 -0.310 0.000 0.645 581 V HN 0.306 nan 8.190 nan 0.000 0.447 582 K N -0.233 120.086 120.400 -0.136 0.000 2.044 582 K HA -0.270 4.049 4.320 -0.002 0.000 0.210 582 K C 2.277 178.812 176.600 -0.109 0.000 1.049 582 K CA 1.806 58.039 56.287 -0.090 0.000 0.927 582 K CB -0.253 32.220 32.500 -0.045 0.000 0.713 582 K HN 0.206 nan 8.250 nan 0.000 0.443 583 K N 0.101 120.411 120.400 -0.150 0.000 2.228 583 K HA 0.047 4.366 4.320 -0.002 0.000 0.202 583 K C 1.867 178.343 176.600 -0.206 0.000 1.051 583 K CA 0.718 56.919 56.287 -0.143 0.000 0.960 583 K CB 0.026 32.454 32.500 -0.119 0.000 0.743 583 K HN 0.040 nan 8.250 nan 0.000 0.458 584 M N 0.394 119.763 119.600 -0.385 0.000 2.098 584 M HA -0.024 4.455 4.480 -0.002 0.000 0.262 584 M C 1.896 178.108 176.300 -0.146 0.000 1.072 584 M CA 1.339 56.400 55.300 -0.398 0.000 1.133 584 M CB -0.521 31.716 32.600 -0.605 0.000 1.344 584 M HN 0.173 nan 8.290 nan 0.000 0.414 585 I N -0.581 119.928 120.570 -0.102 0.000 2.493 585 I HA -0.213 3.956 4.170 -0.002 0.000 0.254 585 I C 2.167 178.308 176.117 0.041 0.000 1.160 585 I CA 1.528 62.834 61.300 0.010 0.000 1.445 585 I CB -1.027 36.983 38.000 0.017 0.000 1.086 585 I HN 0.280 nan 8.210 nan 0.000 0.433 586 Q N 0.994 120.789 119.800 -0.009 0.000 2.112 586 Q HA -0.272 4.067 4.340 -0.002 0.000 0.206 586 Q C 2.032 178.022 176.000 -0.016 0.000 0.987 586 Q CA 2.416 58.205 55.803 -0.023 0.000 0.858 586 Q CB -0.773 27.947 28.738 -0.029 0.000 0.905 586 Q HN 0.633 nan 8.270 nan 0.000 0.420 587 F N -0.637 119.256 119.950 -0.095 0.000 2.102 587 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 587 F C 2.063 177.826 175.800 -0.061 0.000 1.105 587 F CA 1.806 59.766 58.000 -0.067 0.000 1.239 587 F CB -0.412 38.531 39.000 -0.095 0.000 0.991 587 F HN 0.296 nan 8.300 nan 0.000 0.474 588 Y N 0.497 120.808 120.300 0.018 0.000 2.373 588 Y HA -0.037 4.512 4.550 -0.001 0.000 0.293 588 Y C 1.755 177.623 175.900 -0.053 0.000 1.129 588 Y CA 0.924 58.989 58.100 -0.059 0.000 1.226 588 Y CB -0.091 38.317 38.460 -0.086 0.000 1.000 588 Y HN -0.203 nan 8.280 nan 0.000 0.549 589 R N 0.296 120.704 120.500 -0.153 0.000 2.346 589 R HA 0.213 4.552 4.340 -0.002 0.000 0.225 589 R C 0.841 176.979 176.300 -0.270 0.000 0.987 589 R CA 0.745 56.709 56.100 -0.227 0.000 1.106 589 R CB -0.038 30.192 30.300 -0.116 0.000 1.090 589 R HN 0.477 nan 8.270 nan 0.000 0.502 590 A N -0.927 121.663 122.820 -0.382 0.000 2.242 590 A HA 0.166 4.485 4.320 -0.002 0.000 0.205 590 A C -0.209 176.942 177.584 -0.722 0.000 1.353 590 A CA -0.019 51.664 52.037 -0.591 0.000 1.005 590 A CB 0.342 18.860 19.000 -0.804 0.000 1.127 590 A HN 0.317 nan 8.150 nan 0.000 0.498 591 H N -0.674 118.273 119.070 -0.206 0.000 2.609 591 H HA 0.398 4.953 4.556 -0.002 0.000 0.344 591 H C -2.382 172.976 175.328 0.049 0.000 1.040 591 H CA -1.819 54.184 56.048 -0.074 0.000 1.216 591 H CB 1.859 31.526 29.762 -0.159 0.000 1.529 591 H HN -0.011 nan 8.280 nan 0.000 0.519 592 P HA -0.021 nan 4.420 nan 0.000 0.242 592 P C 0.885 178.261 177.300 0.127 0.000 1.197 592 P CA 0.498 63.664 63.100 0.109 0.000 0.765 592 P CB 0.188 31.933 31.700 0.075 0.000 0.936 593 A N -1.499 121.396 122.820 0.126 0.000 2.206 593 A HA 0.041 4.360 4.320 -0.002 0.000 0.211 593 A C 0.968 178.323 177.584 -0.381 0.000 1.158 593 A CA 0.774 52.737 52.037 -0.123 0.000 0.761 593 A CB -1.053 17.835 19.000 -0.187 0.000 0.801 593 A HN 0.165 nan 8.150 nan 0.000 0.473 594 F N -1.459 118.618 119.950 0.211 0.000 2.724 594 F HA 0.337 4.863 4.527 -0.002 0.000 0.310 594 F C 0.549 176.539 175.800 0.316 0.000 1.107 594 F CA -0.260 57.913 58.000 0.288 0.000 1.218 594 F CB 0.606 39.861 39.000 0.426 0.000 1.042 594 F HN -0.089 nan 8.300 nan 0.000 0.540 595 R N 0.518 121.219 120.500 0.334 0.000 2.868 595 R HA 0.522 4.861 4.340 -0.002 0.000 0.289 595 R C -0.393 176.076 176.300 0.282 0.000 1.443 595 R CA -0.153 56.123 56.100 0.293 0.000 1.651 595 R CB 0.679 31.061 30.300 0.137 0.000 1.242 595 R HN -0.013 nan 8.270 nan 0.000 0.621 596 R N -0.085 120.615 120.500 0.333 0.000 2.846 596 R HA 0.255 4.594 4.340 -0.002 0.000 0.263 596 R C 0.046 176.506 176.300 0.266 0.000 1.080 596 R CA -0.753 55.552 56.100 0.342 0.000 0.961 596 R CB 0.853 31.251 30.300 0.163 0.000 1.231 596 R HN 0.243 nan 8.270 nan 0.000 0.465 597 E N 1.252 121.550 120.200 0.163 0.000 2.419 597 E HA 0.146 4.495 4.350 -0.002 0.000 0.190 597 E C -0.386 176.135 176.600 -0.132 0.000 1.040 597 E CA 0.130 56.421 56.400 -0.181 0.000 0.900 597 E CB 0.355 30.060 29.700 0.008 0.000 1.054 597 E HN 0.295 nan 8.360 nan 0.000 0.462 613 V N 1.973 121.866 119.914 -0.035 0.000 3.367 613 V HA 0.211 4.330 4.120 -0.002 0.000 0.304 613 V C 1.517 177.593 176.094 -0.030 0.000 1.131 613 V CA 1.511 63.765 62.300 -0.077 0.000 1.233 613 V CB 1.171 32.866 31.823 -0.212 0.000 1.021 613 V HN 0.497 nan 8.190 nan 0.000 0.497 614 T N 2.170 116.708 114.554 -0.027 0.000 2.990 614 T HA 0.637 4.986 4.350 -0.002 0.000 0.296 614 T C -0.595 174.061 174.700 -0.074 0.000 1.189 614 T CA -0.163 61.885 62.100 -0.086 0.000 0.938 614 T CB 1.390 70.170 68.868 -0.147 0.000 1.994 614 T HN 0.886 nan 8.240 nan 0.000 0.584 615 F N -0.862 118.734 119.950 -0.591 0.000 2.985 615 F HA 0.426 4.952 4.527 -0.002 0.000 0.332 615 F C -2.490 172.964 175.800 -0.577 0.000 1.126 615 F CA -2.255 55.430 58.000 -0.526 0.000 0.884 615 F CB 0.299 39.144 39.000 -0.259 0.000 1.361 615 F HN 0.782 nan 8.300 nan 0.000 0.450 616 Y N 1.878 122.183 120.300 0.009 0.000 2.275 616 Y HA 0.377 4.926 4.550 -0.002 0.000 0.319 616 Y C 0.128 175.828 175.900 -0.334 0.000 1.204 616 Y CA -0.753 57.272 58.100 -0.124 0.000 1.136 616 Y CB 1.944 40.465 38.460 0.102 0.000 1.228 616 Y HN 0.739 nan 8.280 nan 0.000 0.413 617 T N 0.161 114.590 114.554 -0.208 0.000 2.849 617 T HA 0.543 4.892 4.350 -0.002 0.000 0.276 617 T C -0.221 174.455 174.700 -0.041 0.000 0.971 617 T CA -0.995 61.022 62.100 -0.137 0.000 0.949 617 T CB 1.087 69.858 68.868 -0.161 0.000 1.093 617 T HN 0.417 nan 8.240 nan 0.000 0.545 618 L N 0.091 121.298 121.223 -0.027 0.000 2.268 618 L HA 0.728 5.067 4.340 -0.002 0.000 0.289 618 L C -0.491 176.351 176.870 -0.048 0.000 1.064 618 L CA -0.499 54.319 54.840 -0.037 0.000 0.824 618 L CB -0.366 41.680 42.059 -0.023 0.000 1.202 618 L HN 0.629 nan 8.230 nan 0.000 0.433 619 E N 2.341 122.508 120.200 -0.055 0.000 2.292 619 E HA 0.585 4.934 4.350 -0.002 0.000 0.272 619 E C 0.793 177.341 176.600 -0.087 0.000 0.881 619 E CA 0.311 56.666 56.400 -0.075 0.000 0.754 619 E CB 1.991 31.643 29.700 -0.079 0.000 1.201 619 E HN 0.798 nan 8.360 nan 0.000 0.425 620 G N 3.366 112.090 108.800 -0.127 0.000 2.257 620 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.267 620 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.267 620 G C 0.587 175.390 174.900 -0.162 0.000 0.984 620 G CA 0.997 45.993 45.100 -0.174 0.000 0.626 620 G HN 0.417 nan 8.290 nan 0.000 0.540 621 R N 1.317 121.775 120.500 -0.069 0.000 2.221 621 R HA 0.502 4.841 4.340 -0.002 0.000 0.327 621 R C 0.431 176.785 176.300 0.090 0.000 1.033 621 R CA -0.415 55.679 56.100 -0.009 0.000 0.887 621 R CB 0.410 30.701 30.300 -0.015 0.000 1.057 621 R HN 0.418 nan 8.270 nan 0.000 0.455 622 E N 2.795 123.095 120.200 0.167 0.000 2.413 622 E HA -0.034 4.315 4.350 -0.002 0.000 0.263 622 E C -0.477 176.193 176.600 0.116 0.000 1.015 622 E CA -0.150 56.420 56.400 0.283 0.000 0.916 622 E CB 0.937 30.801 29.700 0.274 0.000 0.947 622 E HN 0.400 nan 8.360 nan 0.000 0.440 623 V N 3.592 123.534 119.914 0.047 0.000 2.901 623 V HA -0.058 4.061 4.120 -0.002 0.000 0.307 623 V C 0.104 176.274 176.094 0.127 0.000 1.084 623 V CA 1.004 63.291 62.300 -0.021 0.000 1.184 623 V CB 1.380 33.103 31.823 -0.166 0.000 0.941 623 V HN 0.908 nan 8.190 nan 0.000 0.493 624 D N 2.353 122.841 120.400 0.148 0.000 2.726 624 D HA 0.431 5.070 4.640 -0.002 0.000 0.241 624 D C -0.874 175.615 176.300 0.316 0.000 1.150 624 D CA -0.597 53.517 54.000 0.191 0.000 1.089 624 D CB 1.241 42.098 40.800 0.094 0.000 1.260 624 D HN 0.613 nan 8.370 nan 0.000 0.637 625 E N 0.301 120.606 120.200 0.175 0.000 2.969 625 E HA 0.283 4.632 4.350 -0.002 0.000 0.213 625 E C -0.620 176.037 176.600 0.095 0.000 1.107 625 E CA -0.036 56.457 56.400 0.156 0.000 1.007 625 E CB 0.458 30.158 29.700 0.000 0.000 1.326 625 E HN 0.299 nan 8.360 nan 0.000 0.432 626 K N 0.310 120.768 120.400 0.097 0.000 3.784 626 K HA 0.318 4.637 4.320 -0.002 0.000 0.226 626 K C 0.620 177.247 176.600 0.045 0.000 1.180 626 K CA 0.518 56.831 56.287 0.043 0.000 1.557 626 K CB 0.109 32.608 32.500 -0.002 0.000 2.225 626 K HN 0.271 nan 8.250 nan 0.000 0.479 627 T N -1.129 113.405 114.554 -0.033 0.000 12.209 627 T HA -0.245 4.104 4.350 -0.002 0.000 0.417 627 T C 0.562 175.281 174.700 0.030 0.000 1.458 627 T CA 1.931 64.002 62.100 -0.048 0.000 2.409 627 T CB -1.129 67.748 68.868 0.014 0.000 2.842 627 T HN 0.571 nan 8.240 nan 0.000 0.841 628 W N 1.387 122.676 121.300 -0.019 0.000 2.863 628 W HA 0.471 5.130 4.660 -0.002 0.000 0.258 628 W C 1.140 177.707 176.519 0.079 0.000 1.298 628 W CA 1.164 58.543 57.345 0.055 0.000 1.451 628 W CB 0.066 29.550 29.460 0.039 0.000 1.107 628 W HN 0.384 nan 8.180 nan 0.000 0.641 629 S N 0.007 115.847 115.700 0.234 0.000 3.021 629 S HA 0.116 4.585 4.470 -0.002 0.000 0.252 629 S C -0.189 174.435 174.600 0.040 0.000 0.996 629 S CA -0.238 58.063 58.200 0.169 0.000 1.084 629 S CB 0.693 63.984 63.200 0.151 0.000 1.021 629 S HN -0.136 nan 8.310 nan 0.000 0.566 630 S N 4.394 120.035 115.700 -0.099 0.000 2.404 630 S HA 0.322 4.791 4.470 -0.002 0.000 0.309 630 S C -2.626 171.809 174.600 -0.275 0.000 1.076 630 S CA -1.157 56.901 58.200 -0.237 0.000 1.095 630 S CB 0.771 63.749 63.200 -0.369 0.000 0.972 630 S HN 0.090 nan 8.310 nan 0.000 0.484 631 P HA 0.079 nan 4.420 nan 0.000 0.238 631 P C 0.135 177.436 177.300 0.003 0.000 1.679 631 P CA 0.199 63.306 63.100 0.011 0.000 1.080 631 P CB -0.521 31.178 31.700 -0.003 0.000 1.961 632 T N -1.595 113.000 114.554 0.069 0.000 2.602 632 T HA 0.491 4.840 4.350 -0.002 0.000 0.235 632 T C -0.230 174.647 174.700 0.296 0.000 0.882 632 T CA -0.516 61.641 62.100 0.095 0.000 1.123 632 T CB 0.751 69.578 68.868 -0.070 0.000 1.662 632 T HN -0.132 nan 8.240 nan 0.000 0.536 633 Q N 0.729 120.627 119.800 0.163 0.000 3.394 633 Q HA 0.602 4.941 4.340 -0.002 0.000 0.285 633 Q C -1.710 174.322 176.000 0.053 0.000 0.866 633 Q CA -0.303 55.345 55.803 -0.258 0.000 0.844 633 Q CB 0.959 29.312 28.738 -0.641 0.000 1.472 633 Q HN 0.495 nan 8.270 nan 0.000 0.401 634 L N 0.837 122.290 121.223 0.383 0.000 2.562 634 L HA 0.695 5.034 4.340 -0.002 0.000 0.266 634 L C -1.866 175.119 176.870 0.192 0.000 0.949 634 L CA -0.634 54.384 54.840 0.296 0.000 0.879 634 L CB 1.861 44.094 42.059 0.289 0.000 1.278 634 L HN 0.136 nan 8.230 nan 0.000 0.404 635 V N 6.239 126.254 119.914 0.168 0.000 2.686 635 V HA 0.637 4.756 4.120 -0.002 0.000 0.306 635 V C -0.305 175.949 176.094 0.267 0.000 1.065 635 V CA -0.407 62.017 62.300 0.206 0.000 0.894 635 V CB 2.514 34.199 31.823 -0.230 0.000 1.004 635 V HN 0.653 nan 8.190 nan 0.000 0.424 636 I N 5.196 126.137 120.570 0.618 0.000 2.769 636 I HA 0.785 4.954 4.170 -0.002 0.000 0.298 636 I C -0.912 175.371 176.117 0.278 0.000 1.128 636 I CA -0.617 60.901 61.300 0.363 0.000 1.031 636 I CB 2.215 40.487 38.000 0.453 0.000 1.235 636 I HN 0.710 nan 8.210 nan 0.000 0.423 637 F N 2.863 122.828 119.950 0.025 0.000 2.779 637 F HA 0.901 5.427 4.527 -0.002 0.000 0.316 637 F C -1.895 173.934 175.800 0.049 0.000 1.164 637 F CA -0.939 57.011 58.000 -0.084 0.000 0.924 637 F CB 0.974 39.797 39.000 -0.295 0.000 1.348 637 F HN 0.118 nan 8.300 nan 0.000 0.467 638 V N 2.177 122.265 119.914 0.291 0.000 3.078 638 V HA 0.608 4.727 4.120 -0.002 0.000 0.311 638 V C -1.585 174.656 176.094 0.245 0.000 1.138 638 V CA -0.828 61.612 62.300 0.234 0.000 1.007 638 V CB 2.197 34.154 31.823 0.223 0.000 1.045 638 V HN 0.891 nan 8.190 nan 0.000 0.432 639 L N 2.178 123.516 121.223 0.191 0.000 2.376 639 L HA 0.581 4.920 4.340 -0.002 0.000 0.275 639 L C 0.816 177.743 176.870 0.095 0.000 0.987 639 L CA -0.126 54.787 54.840 0.121 0.000 0.828 639 L CB 1.889 43.984 42.059 0.061 0.000 1.249 639 L HN 0.752 nan 8.230 nan 0.000 0.409 640 E N 3.871 124.112 120.200 0.069 0.000 2.014 640 E HA 0.272 4.621 4.350 -0.002 0.000 0.190 640 E C 0.841 177.461 176.600 0.033 0.000 0.980 640 E CA 0.946 57.377 56.400 0.051 0.000 0.807 640 E CB 0.440 30.171 29.700 0.051 0.000 0.770 640 E HN 0.847 nan 8.360 nan 0.000 0.451 658 S N 1.189 116.546 115.700 -0.570 0.000 2.578 658 S HA 0.872 5.341 4.470 -0.002 0.000 0.301 658 S C -0.803 173.306 174.600 -0.818 0.000 1.091 658 S CA -0.621 57.329 58.200 -0.416 0.000 1.032 658 S CB 1.127 64.222 63.200 -0.175 0.000 1.064 658 S HN 0.386 nan 8.310 nan 0.000 0.508 659 F N 0.719 120.719 119.950 0.083 0.000 2.596 659 F HA 0.506 5.032 4.527 -0.002 0.000 0.311 659 F C -1.094 174.792 175.800 0.143 0.000 1.116 659 F CA -0.853 57.232 58.000 0.142 0.000 0.957 659 F CB 1.120 40.240 39.000 0.201 0.000 1.250 659 F HN 0.247 nan 8.300 nan 0.000 0.444 660 L N 4.171 125.611 121.223 0.361 0.000 2.307 660 L HA 0.694 5.033 4.340 -0.002 0.000 0.284 660 L C -0.951 176.050 176.870 0.218 0.000 1.023 660 L CA -0.273 54.743 54.840 0.293 0.000 0.810 660 L CB 1.430 43.707 42.059 0.364 0.000 1.231 660 L HN 0.374 nan 8.230 nan 0.000 0.423 661 I N 4.612 125.188 120.570 0.011 0.000 2.500 661 I HA 0.449 4.618 4.170 -0.002 0.000 0.286 661 I C -0.750 175.272 176.117 -0.157 0.000 1.063 661 I CA -0.072 61.125 61.300 -0.171 0.000 1.062 661 I CB 1.627 39.301 38.000 -0.543 0.000 1.223 661 I HN 0.313 nan 8.210 nan 0.000 0.435 662 I N 7.070 127.630 120.570 -0.018 0.000 2.433 662 I HA 0.648 4.817 4.170 -0.002 0.000 0.292 662 I C -1.106 175.028 176.117 0.028 0.000 1.001 662 I CA -0.678 60.641 61.300 0.031 0.000 1.119 662 I CB 1.504 39.549 38.000 0.075 0.000 1.289 662 I HN 0.265 nan 8.210 nan 0.000 0.438 663 L N 6.790 128.041 121.223 0.047 0.000 2.464 663 L HA 0.639 4.978 4.340 -0.002 0.000 0.266 663 L C -0.705 176.227 176.870 0.104 0.000 0.965 663 L CA -0.444 54.449 54.840 0.089 0.000 0.833 663 L CB 1.714 43.798 42.059 0.043 0.000 1.296 663 L HN 0.550 nan 8.230 nan 0.000 0.405 664 N N 0.548 119.347 118.700 0.164 0.000 3.106 664 N HA 0.630 5.369 4.740 -0.002 0.000 0.253 664 N C 0.130 175.690 175.510 0.083 0.000 1.506 664 N CA -0.216 52.915 53.050 0.136 0.000 0.876 664 N CB 1.959 40.504 38.487 0.096 0.000 1.452 664 N HN 0.558 nan 8.380 nan 0.000 0.542 665 A N 0.133 122.887 122.820 -0.111 0.000 1.881 665 A HA 0.161 4.480 4.320 -0.002 0.000 0.210 665 A C 0.486 178.150 177.584 0.133 0.000 1.239 665 A CA 0.828 52.717 52.037 -0.247 0.000 0.629 665 A CB -0.286 18.297 19.000 -0.696 0.000 0.906 665 A HN 0.787 nan 8.150 nan 0.000 0.460 666 N N -1.992 116.741 118.700 0.055 0.000 2.525 666 N HA 0.341 5.080 4.740 -0.002 0.000 0.270 666 N C -2.919 172.606 175.510 0.025 0.000 1.321 666 N CA -1.683 51.345 53.050 -0.037 0.000 0.797 666 N CB 1.527 39.950 38.487 -0.107 0.000 1.529 666 N HN -0.284 nan 8.380 nan 0.000 0.491 667 P HA -0.133 nan 4.420 nan 0.000 0.218 667 P C -0.509 176.818 177.300 0.045 0.000 1.148 667 P CA 1.552 64.686 63.100 0.056 0.000 0.822 667 P CB 0.039 31.748 31.700 0.014 0.000 0.784 668 N N -2.538 116.172 118.700 0.017 0.000 2.774 668 N HA 0.154 4.893 4.740 -0.002 0.000 0.264 668 N C -0.963 174.550 175.510 0.005 0.000 1.415 668 N CA -0.756 52.302 53.050 0.012 0.000 0.815 668 N CB 0.340 38.831 38.487 0.006 0.000 1.514 668 N HN -0.291 nan 8.380 nan 0.000 0.523 669 N N -0.111 118.591 118.700 0.004 0.000 2.530 669 N HA 0.335 5.075 4.740 -0.002 0.000 0.273 669 N C -0.289 175.215 175.510 -0.009 0.000 1.173 669 N CA -0.269 52.781 53.050 -0.000 0.000 0.967 669 N CB 1.025 39.512 38.487 0.001 0.000 1.109 669 N HN 0.484 nan 8.380 nan 0.000 0.453 670 V N -1.441 118.464 119.914 -0.015 0.000 2.876 670 V HA 0.512 4.631 4.120 -0.002 0.000 0.312 670 V C 0.216 176.288 176.094 -0.037 0.000 1.085 670 V CA -1.265 61.021 62.300 -0.024 0.000 0.945 670 V CB 1.575 33.385 31.823 -0.023 0.000 1.017 670 V HN 0.426 nan 8.190 nan 0.000 0.428 671 K N 1.450 121.825 120.400 -0.041 0.000 2.561 671 K HA 0.369 4.688 4.320 -0.002 0.000 0.280 671 K C -0.744 175.801 176.600 -0.092 0.000 0.975 671 K CA 0.321 56.574 56.287 -0.057 0.000 1.024 671 K CB 0.676 33.146 32.500 -0.049 0.000 0.883 671 K HN 0.586 nan 8.250 nan 0.000 0.496 672 V N 3.530 123.363 119.914 -0.135 0.000 2.638 672 V HA 0.314 4.433 4.120 -0.002 0.000 0.306 672 V C -0.755 175.148 176.094 -0.319 0.000 1.052 672 V CA -0.835 61.320 62.300 -0.241 0.000 0.885 672 V CB 1.933 33.580 31.823 -0.293 0.000 0.999 672 V HN 0.679 nan 8.190 nan 0.000 0.424 673 K N 4.205 124.382 120.400 -0.371 0.000 2.507 673 K HA 0.595 4.914 4.320 -0.002 0.000 0.251 673 K C -1.218 175.120 176.600 -0.435 0.000 0.943 673 K CA -0.507 55.582 56.287 -0.329 0.000 0.794 673 K CB 2.247 34.654 32.500 -0.155 0.000 1.188 673 K HN 0.417 nan 8.250 nan 0.000 0.428 674 F N 3.403 123.153 119.950 -0.333 0.000 2.440 674 F HA 0.233 4.759 4.527 -0.001 0.000 0.323 674 F C -1.305 174.339 175.800 -0.261 0.000 1.192 674 F CA -0.875 56.885 58.000 -0.399 0.000 1.252 674 F CB 0.017 38.511 39.000 -0.843 0.000 1.214 674 F HN 0.415 nan 8.300 nan 0.000 0.578 675 P HA 0.284 nan 4.420 nan 0.000 0.351 675 P C -1.625 175.680 177.300 0.009 0.000 1.234 675 P CA -0.779 62.198 63.100 -0.204 0.000 0.783 675 P CB 0.923 32.226 31.700 -0.662 0.000 1.618 676 K N -0.151 120.255 120.400 0.011 0.000 2.349 676 K HA 0.572 4.891 4.320 -0.002 0.000 0.288 676 K C 0.459 177.127 176.600 0.113 0.000 1.058 676 K CA 0.206 56.538 56.287 0.075 0.000 0.953 676 K CB -0.380 32.165 32.500 0.076 0.000 0.997 676 K HN 0.881 nan 8.250 nan 0.000 0.477 677 G N 1.726 110.587 108.800 0.101 0.000 2.459 677 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.685 677 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.685 677 G C -1.397 173.547 174.900 0.075 0.000 1.303 677 G CA -1.150 43.997 45.100 0.078 0.000 0.907 677 G HN 0.413 nan 8.290 nan 0.000 0.632 678 K N 0.465 120.854 120.400 -0.019 0.000 2.326 678 K HA 0.514 4.833 4.320 -0.002 0.000 0.275 678 K C 0.383 176.941 176.600 -0.071 0.000 1.018 678 K CA -0.159 56.036 56.287 -0.153 0.000 0.962 678 K CB 0.291 32.688 32.500 -0.172 0.000 0.953 678 K HN 0.605 nan 8.250 nan 0.000 0.475 679 W N 2.744 123.914 121.300 -0.216 0.000 2.600 679 W HA 0.496 5.155 4.660 -0.001 0.000 0.325 679 W C -1.163 175.230 176.519 -0.211 0.000 1.034 679 W CA -0.871 56.294 57.345 -0.300 0.000 1.226 679 W CB 0.449 29.469 29.460 -0.733 0.000 1.379 679 W HN 0.428 nan 8.180 nan 0.000 0.466 680 E N 3.581 123.938 120.200 0.262 0.000 2.244 680 E HA 0.252 4.601 4.350 -0.002 0.000 0.260 680 E C -0.314 176.612 176.600 0.543 0.000 0.884 680 E CA -0.870 55.714 56.400 0.307 0.000 0.777 680 E CB 2.603 32.380 29.700 0.128 0.000 1.197 680 E HN 0.329 nan 8.360 nan 0.000 0.416 681 L N 4.121 125.693 121.223 0.582 0.000 2.461 681 L HA 0.158 4.497 4.340 -0.002 0.000 0.272 681 L C 0.421 177.377 176.870 0.143 0.000 1.197 681 L CA 0.583 55.545 54.840 0.202 0.000 0.836 681 L CB 0.937 43.065 42.059 0.115 0.000 1.105 681 L HN 0.698 nan 8.230 nan 0.000 0.477 682 V N 2.611 122.552 119.914 0.046 0.000 3.165 682 V HA 0.409 4.528 4.120 -0.002 0.000 0.231 682 V C 0.389 176.505 176.094 0.036 0.000 1.365 682 V CA -0.191 62.172 62.300 0.105 0.000 1.286 682 V CB 0.838 32.805 31.823 0.240 0.000 1.081 682 V HN 0.598 nan 8.190 nan 0.000 0.477 683 I N 0.328 120.860 120.570 -0.063 0.000 3.066 683 I HA 0.755 4.924 4.170 -0.002 0.000 0.307 683 I C -1.093 175.012 176.117 -0.019 0.000 1.366 683 I CA 0.708 61.992 61.300 -0.027 0.000 0.972 683 I CB 2.408 40.330 38.000 -0.130 0.000 1.307 683 I HN 0.568 nan 8.210 nan 0.000 0.470 684 S N 1.640 117.419 115.700 0.130 0.000 2.643 684 S HA 0.616 5.085 4.470 -0.002 0.000 0.266 684 S C -1.236 173.322 174.600 -0.070 0.000 1.130 684 S CA -0.706 57.539 58.200 0.075 0.000 0.817 684 S CB 1.024 64.282 63.200 0.097 0.000 1.107 684 S HN 0.726 nan 8.310 nan 0.000 0.471 685 S N 0.147 115.700 115.700 -0.244 0.000 2.617 685 S HA 0.841 5.310 4.470 -0.002 0.000 0.283 685 S C -1.524 172.808 174.600 -0.445 0.000 1.189 685 S CA -0.625 57.203 58.200 -0.621 0.000 1.036 685 S CB 0.139 63.095 63.200 -0.406 0.000 1.014 685 S HN 0.947 nan 8.310 nan 0.000 0.522 686 Y N 2.122 122.370 120.300 -0.087 0.000 2.442 686 Y HA 0.417 4.966 4.550 -0.002 0.000 0.330 686 Y C 0.179 176.037 175.900 -0.069 0.000 1.100 686 Y CA -1.001 57.069 58.100 -0.051 0.000 1.034 686 Y CB 0.775 39.225 38.460 -0.017 0.000 1.285 686 Y HN 0.486 nan 8.280 nan 0.000 0.440 687 L N 2.723 124.012 121.223 0.110 0.000 2.313 687 L HA 0.162 4.501 4.340 -0.002 0.000 0.214 687 L C 1.054 177.961 176.870 0.061 0.000 1.119 687 L CA 1.156 56.025 54.840 0.047 0.000 0.809 687 L CB -0.096 41.970 42.059 0.011 0.000 0.933 687 L HN 0.904 nan 8.230 nan 0.000 0.449 688 R N -1.892 118.660 120.500 0.086 0.000 2.732 688 R HA 0.567 4.906 4.340 -0.002 0.000 0.099 688 R C -0.152 176.132 176.300 -0.028 0.000 0.977 688 R CA -0.779 55.340 56.100 0.031 0.000 0.796 688 R CB 0.170 30.482 30.300 0.020 0.000 0.680 688 R HN -0.051 nan 8.270 nan 0.000 0.360 689 E N -0.040 120.126 120.200 -0.056 0.000 2.390 689 E HA 0.392 4.741 4.350 -0.002 0.000 0.242 689 E C -1.054 175.505 176.600 -0.068 0.000 0.907 689 E CA -1.005 55.305 56.400 -0.150 0.000 0.884 689 E CB 1.780 31.402 29.700 -0.130 0.000 1.788 689 E HN 0.211 nan 8.360 nan 0.000 0.427 690 I N 1.871 122.402 120.570 -0.065 0.000 2.287 690 I HA 0.318 4.487 4.170 -0.002 0.000 0.290 690 I C -0.087 176.047 176.117 0.029 0.000 1.069 690 I CA 0.014 61.317 61.300 0.005 0.000 1.237 690 I CB 0.289 38.298 38.000 0.015 0.000 1.418 690 I HN 0.206 nan 8.210 nan 0.000 0.481 691 K N 6.534 126.963 120.400 0.048 0.000 2.587 691 K HA 0.626 4.945 4.320 -0.002 0.000 0.276 691 K C -3.327 173.315 176.600 0.071 0.000 0.956 691 K CA -1.326 54.995 56.287 0.056 0.000 0.857 691 K CB 2.594 35.116 32.500 0.037 0.000 1.431 691 K HN 0.108 nan 8.250 nan 0.000 0.420 692 P HA 0.274 nan 4.420 nan 0.000 0.290 692 P C -1.287 176.083 177.300 0.116 0.000 1.283 692 P CA -0.217 62.931 63.100 0.081 0.000 0.869 692 P CB 0.867 32.607 31.700 0.067 0.000 1.100 693 E N 0.327 120.598 120.200 0.118 0.000 2.024 693 E HA -0.253 4.096 4.350 -0.002 0.000 0.171 693 E C -0.364 176.372 176.600 0.226 0.000 1.417 693 E CA 0.928 57.415 56.400 0.145 0.000 0.650 693 E CB -0.641 29.116 29.700 0.095 0.000 1.044 693 E HN 0.488 nan 8.360 nan 0.000 0.308 700 E N 0.222 120.545 120.200 0.205 0.000 2.311 700 E HA 0.727 5.076 4.350 -0.002 0.000 0.281 700 E C -0.640 176.150 176.600 0.318 0.000 0.905 700 E CA -0.553 56.046 56.400 0.331 0.000 0.778 700 E CB 1.928 31.726 29.700 0.164 0.000 1.240 700 E HN 0.456 nan 8.360 nan 0.000 0.410 701 K N 1.993 122.632 120.400 0.398 0.000 2.160 701 K HA 0.440 4.760 4.320 -0.002 0.000 0.251 701 K C -1.203 175.533 176.600 0.227 0.000 0.760 701 K CA -0.861 55.603 56.287 0.295 0.000 0.613 701 K CB 1.206 33.912 32.500 0.344 0.000 1.455 701 K HN 0.506 nan 8.250 nan 0.000 0.378 702 E N 0.952 121.258 120.200 0.177 0.000 2.272 702 E HA 0.286 4.635 4.350 -0.002 0.000 0.269 702 E C -0.236 176.418 176.600 0.090 0.000 0.877 702 E CA -0.333 56.101 56.400 0.057 0.000 0.755 702 E CB 2.665 32.380 29.700 0.025 0.000 1.192 702 E HN 0.340 nan 8.360 nan 0.000 0.422 703 L N 1.171 122.392 121.223 -0.003 0.000 2.051 703 L HA 0.187 4.526 4.340 -0.002 0.000 0.202 703 L C 0.579 177.490 176.870 0.068 0.000 1.097 703 L CA 0.897 55.785 54.840 0.079 0.000 0.762 703 L CB 0.404 42.477 42.059 0.023 0.000 0.913 703 L HN 0.620 nan 8.230 nan 0.000 0.447 704 E N 0.270 120.484 120.200 0.023 0.000 2.256 704 E HA 0.287 4.636 4.350 -0.002 0.000 0.267 704 E C -0.760 175.832 176.600 -0.014 0.000 0.892 704 E CA -0.686 55.692 56.400 -0.036 0.000 0.775 704 E CB 1.883 31.555 29.700 -0.046 0.000 1.207 704 E HN 0.258 nan 8.360 nan 0.000 0.420 705 I N 1.941 122.488 120.570 -0.038 0.000 3.138 705 I HA 0.093 4.262 4.170 -0.002 0.000 0.288 705 I C 1.498 177.621 176.117 0.009 0.000 1.148 705 I CA -0.071 61.229 61.300 -0.001 0.000 1.315 705 I CB 0.525 38.520 38.000 -0.008 0.000 1.426 705 I HN 0.685 nan 8.210 nan 0.000 0.615 706 E N 1.349 121.564 120.200 0.025 0.000 3.349 706 E HA 0.279 4.628 4.350 -0.002 0.000 0.412 706 E C 0.936 177.552 176.600 0.026 0.000 0.363 706 E CA 0.261 56.675 56.400 0.023 0.000 2.411 706 E CB 0.425 30.141 29.700 0.026 0.000 2.217 706 E HN 0.736 nan 8.360 nan 0.000 0.453 707 G N -0.362 108.456 108.800 0.029 0.000 2.534 707 G HA2 0.086 4.045 3.960 -0.002 0.000 0.220 707 G HA3 0.086 4.045 3.960 -0.002 0.000 0.220 707 G C 0.434 175.374 174.900 0.066 0.000 1.699 707 G CA -0.175 44.946 45.100 0.036 0.000 0.769 707 G HN 0.108 nan 8.290 nan 0.000 0.632 708 R N 1.471 122.000 120.500 0.049 0.000 3.472 708 R HA 0.427 4.766 4.340 -0.002 0.000 0.322 708 R C -0.375 175.950 176.300 0.041 0.000 1.330 708 R CA -0.113 56.032 56.100 0.074 0.000 1.387 708 R CB -0.518 29.780 30.300 -0.004 0.000 1.446 708 R HN 0.567 nan 8.270 nan 0.000 0.628 709 T N -2.819 111.833 114.554 0.163 0.000 2.802 709 T HA 0.837 5.186 4.350 -0.002 0.000 0.311 709 T C -1.667 173.147 174.700 0.190 0.000 1.405 709 T CA -0.491 61.646 62.100 0.061 0.000 1.016 709 T CB 2.104 70.989 68.868 0.028 0.000 1.352 709 T HN 0.154 nan 8.240 nan 0.000 0.498 710 A N 1.386 124.259 122.820 0.090 0.000 2.605 710 A HA 0.835 5.154 4.320 -0.002 0.000 0.294 710 A C -2.141 175.466 177.584 0.038 0.000 1.062 710 A CA -0.662 51.461 52.037 0.143 0.000 0.682 710 A CB 1.494 20.634 19.000 0.233 0.000 1.278 710 A HN 1.060 nan 8.150 nan 0.000 0.410 711 L N -0.208 121.029 121.223 0.024 0.000 2.838 711 L HA 0.892 5.231 4.340 -0.002 0.000 0.266 711 L C -0.653 176.174 176.870 -0.071 0.000 1.040 711 L CA -0.380 54.439 54.840 -0.035 0.000 0.906 711 L CB 1.569 43.633 42.059 0.009 0.000 1.501 711 L HN 1.194 nan 8.230 nan 0.000 0.407 712 V N -0.328 119.474 119.914 -0.186 0.000 3.301 712 V HA 0.715 4.834 4.120 -0.002 0.000 0.291 712 V C -1.906 173.988 176.094 -0.334 0.000 1.549 712 V CA -0.524 61.676 62.300 -0.167 0.000 1.061 712 V CB 2.666 34.356 31.823 -0.223 0.000 1.154 712 V HN 0.700 nan 8.190 nan 0.000 0.466 713 Y N 0.876 121.270 120.300 0.157 0.000 2.814 713 Y HA 0.632 5.181 4.550 -0.002 0.000 0.348 713 Y C -0.154 175.927 175.900 0.302 0.000 1.245 713 Y CA -0.568 57.669 58.100 0.229 0.000 1.086 713 Y CB 1.535 40.150 38.460 0.258 0.000 1.373 713 Y HN 0.807 nan 8.280 nan 0.000 0.451 714 R N 0.711 121.489 120.500 0.463 0.000 3.080 714 R HA 0.875 5.214 4.340 -0.002 0.000 0.248 714 R C -1.448 174.895 176.300 0.071 0.000 1.324 714 R CA -1.072 55.175 56.100 0.244 0.000 1.036 714 R CB 2.332 32.779 30.300 0.245 0.000 1.360 714 R HN 0.748 nan 8.270 nan 0.000 0.479 715 R N 0.000 120.429 120.500 -0.118 0.000 2.786 715 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 715 R CA 0.000 56.041 56.100 -0.098 0.000 0.921 715 R CB 0.000 30.226 30.300 -0.124 0.000 0.687 715 R HN 0.000 nan 8.270 nan 0.000 0.535