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 2req_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPRFDSVDLG NAPVPADAAR RFEELAAKAG TGEAWETAEQ IPVGTLFNED DATA SEQUENCE VYKDMDWLDT YAGIPPFVHG PYATMYAFRP WTIRQYAGFS TAKESNAFYR DATA SEQUENCE RNLAAGQKGL SVAFDLPTHR GYDSDNPRVA GDVGMAGVAI DSIYDMRELF DATA SEQUENCE AGIPLDQMSV SMTMNGAVLP ILALYVVTAE EQGVKPEQLA GTIQNDILKE DATA SEQUENCE FMVRNTYIYP PQPSMRIISE IFAYTSANMP KWNSISISGY HMQEAGATAD DATA SEQUENCE IEMAYTLADG VDYIRAGESV GLNVDQFAPR LSFFWGIGMN FFMEVAKLRA DATA SEQUENCE ARMLWAKLVH QFGPKNPKSM SLRTHSQTSG WSLTAQDVYN NVVRTCIEAM DATA SEQUENCE AATQGHTQSL HTNSLDEAIA LPTDFSARIA RNTQLFLQQE SGTTRVIDPW DATA SEQUENCE SGSAYVEELT WDLARKAWGH IQEVEKVGGM AKAIEKGIPK MRIEEAAART DATA SEQUENCE QARIDSGRQP LIGVNKYRLE HEPPLDVLKV DNSTVLAEQK AKLVKLRAER DATA SEQUENCE DPEKVKAALD KITWAAGNPD DKDPDRNLLK LCIDAGRAMA TVGEMSDALE DATA SEQUENCE KVFGRYTAQI RTISGVYSKE VKNTPEVEEA RELVEEFEQA EGRRPRILLA DATA SEQUENCE KMGQDGHDRG QKVIATAYAD LGFDVDVGPL FQTPEETARQ AVEADVHVVG DATA SEQUENCE VSSLAGGHLT LVPALRKELD KLGRPDILIT VGGVIPEQDF DELRKDGAVE DATA SEQUENCE IYTPGTVIPE SAISLVKKLR ASLDA 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.839 176.870 -0.051 0.000 1.165 4 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 4 L CB 0.000 42.062 42.059 0.005 0.000 0.961 5 P HA 0.168 nan 4.420 nan 0.000 0.260 5 P C -1.087 176.073 177.300 -0.234 0.000 1.172 5 P CA -0.067 62.889 63.100 -0.240 0.000 0.760 5 P CB 0.306 31.811 31.700 -0.325 0.000 0.773 6 R N 2.548 122.861 120.500 -0.312 0.000 2.480 6 R HA 0.281 4.620 4.340 -0.002 0.000 0.306 6 R C 0.078 176.207 176.300 -0.284 0.000 0.958 6 R CA -0.534 55.476 56.100 -0.150 0.000 0.861 6 R CB 0.747 31.011 30.300 -0.060 0.000 1.171 6 R HN 0.420 nan 8.270 nan 0.000 0.445 7 F N 0.537 120.490 119.950 0.004 0.000 2.765 7 F HA 0.043 4.569 4.527 -0.001 0.000 0.302 7 F C 2.117 177.920 175.800 0.004 0.000 1.111 7 F CA 0.836 58.839 58.000 0.004 0.000 1.359 7 F CB -0.065 38.938 39.000 0.005 0.000 1.097 7 F HN 0.704 nan 8.300 nan 0.000 0.577 8 D N 0.165 120.629 120.400 0.106 0.000 2.104 8 D HA -0.193 4.446 4.640 -0.002 0.000 0.194 8 D C 2.171 178.494 176.300 0.037 0.000 0.994 8 D CA 1.815 55.854 54.000 0.064 0.000 0.830 8 D CB -0.668 40.154 40.800 0.037 0.000 0.959 8 D HN 0.350 nan 8.370 nan 0.000 0.452 9 S N 0.005 115.708 115.700 0.005 0.000 2.326 9 S HA 0.033 4.502 4.470 -0.002 0.000 0.211 9 S C 1.487 176.093 174.600 0.009 0.000 1.031 9 S CA 0.635 58.831 58.200 -0.006 0.000 0.985 9 S CB -0.988 62.191 63.200 -0.036 0.000 0.961 9 S HN 0.659 nan 8.310 nan 0.000 0.436 10 V N 4.550 124.459 119.914 -0.009 0.000 2.996 10 V HA -0.099 4.020 4.120 -0.002 0.000 0.289 10 V C -0.035 176.109 176.094 0.083 0.000 1.171 10 V CA 0.439 62.755 62.300 0.026 0.000 1.298 10 V CB -1.212 30.622 31.823 0.018 0.000 0.803 10 V HN 0.410 nan 8.190 nan 0.000 0.448 11 D N 3.507 123.942 120.400 0.058 0.000 2.372 11 D HA 0.152 4.791 4.640 -0.002 0.000 0.243 11 D C 0.793 177.137 176.300 0.074 0.000 1.121 11 D CA -0.457 53.578 54.000 0.058 0.000 0.898 11 D CB 1.286 42.107 40.800 0.036 0.000 1.202 11 D HN 0.416 nan 8.370 nan 0.000 0.428 12 L N 1.824 123.083 121.223 0.060 0.000 2.005 12 L HA 0.078 4.417 4.340 -0.002 0.000 0.207 12 L C 1.131 178.026 176.870 0.043 0.000 1.072 12 L CA 2.343 57.214 54.840 0.052 0.000 0.744 12 L CB -0.740 41.339 42.059 0.033 0.000 0.895 12 L HN 0.754 nan 8.230 nan 0.000 0.433 13 G N -0.761 108.059 108.800 0.033 0.000 2.500 13 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.209 13 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.209 13 G C -0.197 174.715 174.900 0.021 0.000 1.283 13 G CA 0.072 45.188 45.100 0.027 0.000 0.960 13 G HN 0.482 nan 8.290 nan 0.000 0.528 14 N N 0.531 119.241 118.700 0.018 0.000 2.291 14 N HA 0.553 5.292 4.740 -0.002 0.000 0.244 14 N C 0.804 176.323 175.510 0.014 0.000 1.216 14 N CA 1.591 54.650 53.050 0.014 0.000 0.879 14 N CB 0.118 38.612 38.487 0.012 0.000 1.167 14 N HN 2.151 nan 8.380 nan 0.000 0.515 15 A N 1.056 123.886 122.820 0.016 0.000 2.203 15 A HA -0.153 4.166 4.320 -0.002 0.000 0.279 15 A C -1.950 175.643 177.584 0.014 0.000 1.396 15 A CA 0.117 52.163 52.037 0.015 0.000 0.747 15 A CB -1.730 17.277 19.000 0.013 0.000 1.151 15 A HN 0.429 nan 8.150 nan 0.000 0.345 16 P HA 0.433 nan 4.420 nan 0.000 0.271 16 P C -0.188 177.120 177.300 0.013 0.000 1.218 16 P CA -0.189 62.919 63.100 0.013 0.000 0.780 16 P CB 0.934 32.642 31.700 0.013 0.000 0.901 17 V N 4.413 124.334 119.914 0.011 0.000 2.439 17 V HA 0.263 4.382 4.120 -0.002 0.000 0.282 17 V C -1.768 174.333 176.094 0.012 0.000 1.039 17 V CA -1.497 60.810 62.300 0.011 0.000 0.913 17 V CB 0.522 32.349 31.823 0.006 0.000 0.983 17 V HN 0.608 nan 8.190 nan 0.000 0.460 18 P HA 0.152 nan 4.420 nan 0.000 0.268 18 P C 0.776 178.085 177.300 0.015 0.000 1.208 18 P CA -0.045 63.065 63.100 0.016 0.000 0.777 18 P CB 0.632 32.344 31.700 0.020 0.000 0.875 19 A N 2.327 125.154 122.820 0.012 0.000 1.908 19 A HA -0.171 4.148 4.320 -0.002 0.000 0.218 19 A C 1.214 178.806 177.584 0.013 0.000 1.181 19 A CA 1.997 54.041 52.037 0.011 0.000 0.627 19 A CB -0.919 18.086 19.000 0.009 0.000 0.818 19 A HN 0.711 nan 8.150 nan 0.000 0.445 20 D N -1.003 119.407 120.400 0.016 0.000 2.895 20 D HA 0.501 5.140 4.640 -0.002 0.000 0.258 20 D C 0.900 177.219 176.300 0.031 0.000 1.311 20 D CA 0.455 54.467 54.000 0.020 0.000 0.843 20 D CB 0.058 40.867 40.800 0.015 0.000 1.055 20 D HN 0.242 nan 8.370 nan 0.000 0.486 21 A N 0.591 123.433 122.820 0.036 0.000 1.929 21 A HA 0.173 4.493 4.320 -0.002 0.000 0.216 21 A C 2.325 179.966 177.584 0.096 0.000 1.176 21 A CA 1.299 53.369 52.037 0.056 0.000 0.628 21 A CB -0.490 18.534 19.000 0.040 0.000 0.816 21 A HN 0.409 nan 8.150 nan 0.000 0.444 22 A N -0.027 122.843 122.820 0.082 0.000 1.873 22 A HA -0.233 4.086 4.320 -0.002 0.000 0.218 22 A C 2.292 179.951 177.584 0.125 0.000 1.193 22 A CA 1.823 53.932 52.037 0.120 0.000 0.629 22 A CB -0.607 18.431 19.000 0.064 0.000 0.826 22 A HN 0.481 nan 8.150 nan 0.000 0.447 23 R N -0.278 120.259 120.500 0.062 0.000 2.105 23 R HA -0.151 4.188 4.340 -0.002 0.000 0.239 23 R C 2.387 178.696 176.300 0.015 0.000 1.135 23 R CA 1.688 57.805 56.100 0.028 0.000 0.967 23 R CB -0.279 30.029 30.300 0.014 0.000 0.861 23 R HN 0.605 nan 8.270 nan 0.000 0.442 24 R N -0.663 119.859 120.500 0.038 0.000 2.081 24 R HA -0.154 4.185 4.340 -0.002 0.000 0.235 24 R C 2.257 178.572 176.300 0.025 0.000 1.131 24 R CA 1.564 57.681 56.100 0.028 0.000 0.960 24 R CB -0.580 29.746 30.300 0.044 0.000 0.856 24 R HN 0.225 nan 8.270 nan 0.000 0.436 25 F N 2.572 122.512 119.950 -0.018 0.000 2.075 25 F HA -0.182 4.344 4.527 -0.002 0.000 0.297 25 F C 1.874 177.659 175.800 -0.026 0.000 1.113 25 F CA 1.629 59.616 58.000 -0.022 0.000 1.218 25 F CB -0.307 38.677 39.000 -0.027 0.000 0.984 25 F HN -0.068 nan 8.300 nan 0.000 0.472 26 E N 0.307 120.278 120.200 -0.381 0.000 2.065 26 E HA -0.290 4.059 4.350 -0.002 0.000 0.201 26 E C 2.094 178.499 176.600 -0.324 0.000 1.016 26 E CA 2.143 58.315 56.400 -0.380 0.000 0.818 26 E CB -0.430 29.197 29.700 -0.121 0.000 0.749 26 E HN 0.601 nan 8.360 nan 0.000 0.453 27 E N 0.556 120.638 120.200 -0.197 0.000 2.085 27 E HA -0.207 4.142 4.350 -0.002 0.000 0.194 27 E C 2.233 178.731 176.600 -0.171 0.000 0.994 27 E CA 0.912 57.224 56.400 -0.146 0.000 0.801 27 E CB -0.183 29.467 29.700 -0.084 0.000 0.743 27 E HN 0.271 nan 8.360 nan 0.000 0.453 28 L N 0.498 121.597 121.223 -0.207 0.000 2.093 28 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 28 L C 2.580 179.300 176.870 -0.250 0.000 1.085 28 L CA 0.841 55.570 54.840 -0.184 0.000 0.755 28 L CB -0.429 41.561 42.059 -0.114 0.000 0.904 28 L HN 0.150 nan 8.230 nan 0.000 0.435 29 A N 0.007 122.544 122.820 -0.472 0.000 1.933 29 A HA -0.138 4.181 4.320 -0.002 0.000 0.218 29 A C 2.511 179.962 177.584 -0.222 0.000 1.175 29 A CA 1.641 53.435 52.037 -0.406 0.000 0.628 29 A CB -0.560 18.054 19.000 -0.644 0.000 0.814 29 A HN 0.397 nan 8.150 nan 0.000 0.444 30 A N -0.480 122.221 122.820 -0.198 0.000 1.929 30 A HA -0.055 4.264 4.320 -0.002 0.000 0.216 30 A C 2.219 179.749 177.584 -0.090 0.000 1.176 30 A CA 1.849 53.814 52.037 -0.121 0.000 0.628 30 A CB -0.403 18.532 19.000 -0.108 0.000 0.816 30 A HN 0.344 nan 8.150 nan 0.000 0.444 31 K N -0.474 119.871 120.400 -0.092 0.000 2.148 31 K HA 0.101 4.420 4.320 -0.002 0.000 0.204 31 K C 2.293 178.861 176.600 -0.053 0.000 1.050 31 K CA 1.014 57.263 56.287 -0.064 0.000 0.942 31 K CB -0.956 31.510 32.500 -0.056 0.000 0.724 31 K HN 0.706 nan 8.250 nan 0.000 0.446 32 A N -0.402 122.380 122.820 -0.062 0.000 2.119 32 A HA 0.318 4.637 4.320 -0.002 0.000 0.217 32 A C 1.715 179.277 177.584 -0.036 0.000 1.153 32 A CA 1.170 53.181 52.037 -0.043 0.000 0.692 32 A CB -0.517 18.457 19.000 -0.043 0.000 0.799 32 A HN 0.842 nan 8.150 nan 0.000 0.458 33 G N -1.136 107.639 108.800 -0.042 0.000 2.164 33 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.212 33 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.212 33 G C 0.135 175.019 174.900 -0.027 0.000 1.031 33 G CA 0.083 45.164 45.100 -0.031 0.000 0.730 33 G HN 0.575 nan 8.290 nan 0.000 0.501 34 T N 0.855 115.387 114.554 -0.037 0.000 2.867 34 T HA 0.495 4.844 4.350 -0.002 0.000 0.297 34 T C 1.384 176.075 174.700 -0.016 0.000 0.989 34 T CA 0.859 62.944 62.100 -0.025 0.000 1.159 34 T CB 1.528 70.373 68.868 -0.040 0.000 0.928 34 T HN 0.958 nan 8.240 nan 0.000 0.538 35 G N 1.688 110.490 108.800 0.002 0.000 3.134 35 G HA2 0.636 4.595 3.960 -0.002 0.000 0.158 35 G HA3 0.636 4.595 3.960 -0.002 0.000 0.158 35 G C 0.113 175.025 174.900 0.019 0.000 1.334 35 G CA -0.263 44.842 45.100 0.008 0.000 1.001 35 G HN 0.904 nan 8.290 nan 0.000 0.600 36 E N -0.848 119.370 120.200 0.031 0.000 2.408 36 E HA 0.529 4.878 4.350 -0.002 0.000 0.259 36 E C 0.564 177.206 176.600 0.070 0.000 1.110 36 E CA -0.183 56.242 56.400 0.041 0.000 0.929 36 E CB 0.082 29.807 29.700 0.041 0.000 0.971 36 E HN 1.279 nan 8.360 nan 0.000 0.438 37 A N 0.936 123.799 122.820 0.072 0.000 2.483 37 A HA 0.367 4.686 4.320 -0.002 0.000 0.238 37 A C 0.001 177.698 177.584 0.189 0.000 1.070 37 A CA -0.117 51.990 52.037 0.116 0.000 0.770 37 A CB -0.130 18.919 19.000 0.082 0.000 1.008 37 A HN 1.041 nan 8.150 nan 0.000 0.497 38 W N 2.146 123.475 121.300 0.048 0.000 2.397 38 W HA 0.326 4.985 4.660 -0.002 0.000 0.327 38 W C -0.006 176.551 176.519 0.065 0.000 1.421 38 W CA -0.188 57.191 57.345 0.058 0.000 1.288 38 W CB 0.056 29.561 29.460 0.075 0.000 1.312 38 W HN 0.680 nan 8.180 nan 0.000 0.559 39 E N 4.998 125.198 120.200 0.001 0.000 2.001 39 E HA 0.176 4.526 4.350 -0.002 0.000 0.279 39 E C 0.597 176.946 176.600 -0.418 0.000 1.045 39 E CA -0.140 56.155 56.400 -0.175 0.000 0.833 39 E CB 0.225 29.902 29.700 -0.038 0.000 1.077 39 E HN 0.408 nan 8.360 nan 0.000 0.397 40 T N 0.681 114.824 114.554 -0.685 0.000 2.667 40 T HA 0.219 4.568 4.350 -0.002 0.000 0.305 40 T C 1.391 175.923 174.700 -0.279 0.000 1.022 40 T CA -0.067 61.600 62.100 -0.722 0.000 0.995 40 T CB 0.998 69.419 68.868 -0.744 0.000 1.026 40 T HN 0.355 nan 8.240 nan 0.000 0.527 41 A N 0.045 122.766 122.820 -0.163 0.000 1.969 41 A HA 0.019 4.338 4.320 -0.002 0.000 0.218 41 A C 2.169 179.696 177.584 -0.095 0.000 1.169 41 A CA 1.198 53.189 52.037 -0.077 0.000 0.635 41 A CB -0.968 18.015 19.000 -0.029 0.000 0.810 41 A HN 0.835 nan 8.150 nan 0.000 0.445 42 E N -0.497 119.631 120.200 -0.121 0.000 2.338 42 E HA -0.072 4.277 4.350 -0.002 0.000 0.197 42 E C 0.212 176.753 176.600 -0.097 0.000 1.007 42 E CA 0.763 57.098 56.400 -0.109 0.000 0.849 42 E CB -0.304 29.317 29.700 -0.131 0.000 0.774 42 E HN 0.673 nan 8.360 nan 0.000 0.506 43 Q N -1.072 118.659 119.800 -0.115 0.000 2.488 43 Q HA -0.177 4.162 4.340 -0.002 0.000 0.279 43 Q C -0.896 175.045 176.000 -0.099 0.000 1.174 43 Q CA 0.248 55.994 55.803 -0.095 0.000 0.888 43 Q CB -2.113 26.592 28.738 -0.055 0.000 1.254 43 Q HN 0.296 nan 8.270 nan 0.000 0.475 44 I N 2.026 122.512 120.570 -0.139 0.000 2.354 44 I HA 0.323 4.492 4.170 -0.002 0.000 0.286 44 I C -1.983 174.051 176.117 -0.138 0.000 1.007 44 I CA -2.274 58.956 61.300 -0.117 0.000 1.167 44 I CB 1.193 39.123 38.000 -0.117 0.000 1.320 44 I HN -0.168 nan 8.210 nan 0.000 0.458 45 P HA 0.094 nan 4.420 nan 0.000 0.276 45 P C -0.559 176.792 177.300 0.085 0.000 1.264 45 P CA -0.046 63.046 63.100 -0.013 0.000 0.769 45 P CB 1.231 32.940 31.700 0.014 0.000 0.840 46 V N 4.919 124.909 119.914 0.127 0.000 2.326 46 V HA 0.412 4.531 4.120 -0.002 0.000 0.281 46 V C 1.176 177.473 176.094 0.338 0.000 1.015 46 V CA -0.239 62.288 62.300 0.377 0.000 0.823 46 V CB 1.138 33.212 31.823 0.417 0.000 1.009 46 V HN 0.714 nan 8.190 nan 0.000 0.436 47 G N 3.026 111.919 108.800 0.155 0.000 2.570 47 G HA2 0.290 4.249 3.960 -0.002 0.000 0.276 47 G HA3 0.290 4.249 3.960 -0.002 0.000 0.276 47 G C 1.082 175.964 174.900 -0.030 0.000 1.346 47 G CA 0.501 45.579 45.100 -0.036 0.000 1.034 47 G HN 0.741 nan 8.290 nan 0.000 0.512 48 T N -2.955 111.562 114.554 -0.061 0.000 3.107 48 T HA 0.374 4.723 4.350 -0.002 0.000 0.249 48 T C 0.162 174.825 174.700 -0.063 0.000 1.096 48 T CA 0.195 62.291 62.100 -0.008 0.000 1.012 48 T CB -0.105 68.805 68.868 0.069 0.000 0.977 48 T HN 0.503 nan 8.240 nan 0.000 0.527 49 L N 0.375 121.452 121.223 -0.242 0.000 2.641 49 L HA 0.631 4.970 4.340 -0.002 0.000 0.261 49 L C -2.261 174.341 176.870 -0.446 0.000 0.926 49 L CA -1.039 53.636 54.840 -0.276 0.000 0.917 49 L CB 1.568 43.361 42.059 -0.443 0.000 1.361 49 L HN 0.072 nan 8.230 nan 0.000 0.417 50 F N 3.586 123.445 119.950 -0.151 0.000 2.458 50 F HA 0.625 5.151 4.527 -0.002 0.000 0.336 50 F C 0.461 176.175 175.800 -0.144 0.000 1.114 50 F CA -0.265 57.674 58.000 -0.103 0.000 0.987 50 F CB 1.937 40.926 39.000 -0.019 0.000 1.130 50 F HN 0.545 nan 8.300 nan 0.000 0.458 51 N N 0.311 118.973 118.700 -0.064 0.000 3.100 51 N HA 0.208 4.947 4.740 -0.002 0.000 0.344 51 N C 0.591 175.940 175.510 -0.268 0.000 1.413 51 N CA -0.663 52.307 53.050 -0.134 0.000 0.752 51 N CB 0.791 39.193 38.487 -0.142 0.000 1.519 51 N HN 0.583 nan 8.380 nan 0.000 0.620 52 E N 0.444 120.468 120.200 -0.293 0.000 2.516 52 E HA -0.154 4.195 4.350 -0.002 0.000 0.199 52 E C 0.040 176.425 176.600 -0.359 0.000 1.069 52 E CA 0.768 56.892 56.400 -0.459 0.000 0.876 52 E CB -0.297 29.363 29.700 -0.066 0.000 0.843 52 E HN 0.731 nan 8.360 nan 0.000 0.530 53 D N 2.007 122.266 120.400 -0.235 0.000 2.219 53 D HA -0.153 4.487 4.640 -0.002 0.000 0.205 53 D C 2.050 178.252 176.300 -0.162 0.000 0.970 53 D CA 1.517 55.430 54.000 -0.145 0.000 0.851 53 D CB -0.356 40.390 40.800 -0.090 0.000 0.943 53 D HN 0.234 nan 8.370 nan 0.000 0.488 54 V N -0.987 118.785 119.914 -0.236 0.000 2.594 54 V HA -0.243 3.876 4.120 -0.002 0.000 0.253 54 V C 2.039 178.003 176.094 -0.217 0.000 1.069 54 V CA 0.955 63.153 62.300 -0.170 0.000 1.082 54 V CB -1.410 30.366 31.823 -0.078 0.000 0.680 54 V HN -0.027 nan 8.190 nan 0.000 0.469 55 Y N 1.221 121.421 120.300 -0.166 0.000 2.352 55 Y HA -0.032 4.518 4.550 -0.002 0.000 0.292 55 Y C 2.900 178.602 175.900 -0.329 0.000 1.136 55 Y CA 0.887 58.813 58.100 -0.290 0.000 1.227 55 Y CB -1.469 36.853 38.460 -0.231 0.000 0.991 55 Y HN 0.273 nan 8.280 nan 0.000 0.545 56 K N 0.630 120.983 120.400 -0.078 0.000 2.044 56 K HA -0.236 4.083 4.320 -0.002 0.000 0.224 56 K C 1.263 177.750 176.600 -0.189 0.000 1.056 56 K CA 2.329 58.553 56.287 -0.106 0.000 0.962 56 K CB -0.966 31.500 32.500 -0.058 0.000 0.730 56 K HN 0.534 nan 8.250 nan 0.000 0.453 57 D N -0.352 119.897 120.400 -0.251 0.000 2.340 57 D HA 0.089 4.729 4.640 -0.002 0.000 0.220 57 D C 0.434 176.270 176.300 -0.773 0.000 1.039 57 D CA 0.234 54.037 54.000 -0.328 0.000 0.866 57 D CB -0.124 40.658 40.800 -0.030 0.000 0.913 57 D HN 0.472 nan 8.370 nan 0.000 0.523 58 M N 1.269 120.277 119.600 -0.987 0.000 2.211 58 M HA 0.089 4.568 4.480 -0.002 0.000 0.356 58 M C 0.614 176.378 176.300 -0.894 0.000 1.216 58 M CA -0.113 54.352 55.300 -1.391 0.000 1.134 58 M CB 0.926 32.465 32.600 -1.769 0.000 1.564 58 M HN -0.240 nan 8.290 nan 0.000 0.463 59 D N 0.478 120.530 120.400 -0.580 0.000 2.469 59 D HA 0.007 4.646 4.640 -0.002 0.000 0.213 59 D C 0.795 177.006 176.300 -0.147 0.000 1.135 59 D CA -0.160 53.682 54.000 -0.262 0.000 0.834 59 D CB -0.292 40.461 40.800 -0.080 0.000 1.009 59 D HN 0.819 nan 8.370 nan 0.000 0.507 60 W N 0.391 121.573 121.300 -0.197 0.000 3.220 60 W HA 0.423 5.082 4.660 -0.001 0.000 0.328 60 W C 0.790 177.190 176.519 -0.199 0.000 1.205 60 W CA -0.516 56.714 57.345 -0.191 0.000 1.773 60 W CB -0.489 28.856 29.460 -0.192 0.000 1.086 60 W HN -0.190 nan 8.180 nan 0.000 0.622 61 L N 1.225 122.154 121.223 -0.491 0.000 2.349 61 L HA -0.104 4.235 4.340 -0.002 0.000 0.220 61 L C 0.947 177.686 176.870 -0.217 0.000 1.130 61 L CA 1.460 56.075 54.840 -0.374 0.000 0.791 61 L CB -0.511 41.211 42.059 -0.561 0.000 0.918 61 L HN -0.009 nan 8.230 nan 0.000 0.444 62 D N 0.104 120.386 120.400 -0.196 0.000 3.008 62 D HA 0.089 4.728 4.640 -0.002 0.000 0.312 62 D C 0.236 176.365 176.300 -0.286 0.000 1.361 62 D CA -0.100 53.774 54.000 -0.210 0.000 0.858 62 D CB 0.256 40.965 40.800 -0.151 0.000 1.098 62 D HN 0.119 nan 8.370 nan 0.000 0.482 63 T N -2.688 111.723 114.554 -0.239 0.000 2.950 63 T HA 0.586 4.935 4.350 -0.002 0.000 0.288 63 T C -0.378 174.110 174.700 -0.354 0.000 1.035 63 T CA -0.686 61.265 62.100 -0.247 0.000 1.028 63 T CB 1.327 70.148 68.868 -0.079 0.000 1.109 63 T HN -0.075 nan 8.240 nan 0.000 0.514 64 Y N 0.188 120.584 120.300 0.159 0.000 2.393 64 Y HA 0.631 5.180 4.550 -0.002 0.000 0.341 64 Y C 0.756 176.764 175.900 0.181 0.000 0.988 64 Y CA -1.183 57.021 58.100 0.173 0.000 1.078 64 Y CB 1.425 39.916 38.460 0.052 0.000 1.203 64 Y HN 1.079 nan 8.280 nan 0.000 0.453 65 A N 1.518 124.558 122.820 0.367 0.000 2.531 65 A HA 0.408 4.727 4.320 -0.002 0.000 0.236 65 A C 1.374 179.093 177.584 0.224 0.000 1.062 65 A CA 0.845 53.058 52.037 0.293 0.000 0.760 65 A CB -0.862 18.297 19.000 0.265 0.000 0.995 65 A HN 1.646 nan 8.150 nan 0.000 0.501 66 G N 0.324 109.274 108.800 0.250 0.000 2.159 66 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.256 66 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.256 66 G C -0.060 174.873 174.900 0.054 0.000 0.977 66 G CA 0.566 45.819 45.100 0.255 0.000 0.652 66 G HN 0.997 nan 8.290 nan 0.000 0.531 67 I N 1.210 121.607 120.570 -0.289 0.000 2.569 67 I HA 0.419 4.588 4.170 -0.002 0.000 0.290 67 I C -2.354 173.179 176.117 -0.974 0.000 1.088 67 I CA -2.681 58.317 61.300 -0.505 0.000 1.047 67 I CB 2.661 40.565 38.000 -0.160 0.000 1.237 67 I HN -0.205 nan 8.210 nan 0.000 0.421 68 P HA 0.083 nan 4.420 nan 0.000 0.265 68 P C -2.226 174.857 177.300 -0.361 0.000 1.193 68 P CA -0.872 61.744 63.100 -0.807 0.000 0.765 68 P CB -0.129 31.344 31.700 -0.379 0.000 0.823 69 P HA 0.236 nan 4.420 nan 0.000 0.254 69 P C -0.479 176.873 177.300 0.087 0.000 1.620 69 P CA -0.696 62.360 63.100 -0.074 0.000 1.050 69 P CB -0.351 31.318 31.700 -0.052 0.000 1.539 70 F N -1.930 117.989 119.950 -0.053 0.000 3.048 70 F HA -0.215 4.311 4.527 -0.001 0.000 0.269 70 F C 1.760 177.498 175.800 -0.103 0.000 0.960 70 F CA 0.271 58.244 58.000 -0.045 0.000 0.909 70 F CB -2.514 36.475 39.000 -0.017 0.000 0.837 70 F HN -0.043 nan 8.300 nan 0.000 0.768 71 V N 0.175 120.034 119.914 -0.092 0.000 2.490 71 V HA -0.260 3.859 4.120 -0.002 0.000 0.250 71 V C 2.278 178.264 176.094 -0.180 0.000 1.061 71 V CA 2.542 64.693 62.300 -0.248 0.000 1.064 71 V CB -0.253 31.287 31.823 -0.472 0.000 0.670 71 V HN 0.570 nan 8.190 nan 0.000 0.461 72 H N -0.008 119.097 119.070 0.058 0.000 2.539 72 H HA 0.472 5.027 4.556 -0.002 0.000 0.267 72 H C 0.910 176.359 175.328 0.200 0.000 0.982 72 H CA 0.843 56.941 56.048 0.083 0.000 1.146 72 H CB 0.203 30.015 29.762 0.084 0.000 1.382 72 H HN 0.568 nan 8.280 nan 0.000 0.577 73 G N 0.647 109.612 108.800 0.275 0.000 2.317 73 G HA2 -0.084 3.875 3.960 -0.002 0.000 0.445 73 G HA3 -0.084 3.875 3.960 -0.002 0.000 0.445 73 G C -2.337 172.664 174.900 0.169 0.000 1.486 73 G CA -0.619 44.612 45.100 0.218 0.000 0.991 73 G HN -0.181 nan 8.290 nan 0.000 0.660 74 P HA 0.083 nan 4.420 nan 0.000 0.220 74 P C -0.048 177.059 177.300 -0.323 0.000 1.152 74 P CA 1.101 63.991 63.100 -0.350 0.000 0.812 74 P CB 0.083 31.298 31.700 -0.807 0.000 0.792 75 Y N -1.419 118.993 120.300 0.186 0.000 2.409 75 Y HA 0.609 5.158 4.550 -0.002 0.000 0.339 75 Y C 1.824 177.809 175.900 0.142 0.000 1.033 75 Y CA -1.093 57.100 58.100 0.155 0.000 1.094 75 Y CB 0.343 38.873 38.460 0.118 0.000 1.210 75 Y HN -0.193 nan 8.280 nan 0.000 0.456 76 A N 0.972 123.948 122.820 0.260 0.000 1.917 76 A HA -0.204 4.115 4.320 -0.002 0.000 0.219 76 A C 1.881 179.552 177.584 0.144 0.000 1.182 76 A CA 2.580 54.719 52.037 0.171 0.000 0.633 76 A CB -1.171 17.891 19.000 0.104 0.000 0.819 76 A HN 0.878 nan 8.150 nan 0.000 0.448 77 T N -4.602 110.036 114.554 0.140 0.000 3.060 77 T HA 0.331 4.680 4.350 -0.002 0.000 0.249 77 T C 1.093 175.886 174.700 0.153 0.000 1.079 77 T CA 0.477 62.654 62.100 0.128 0.000 1.013 77 T CB -0.141 68.783 68.868 0.093 0.000 0.975 77 T HN 0.200 nan 8.240 nan 0.000 0.518 78 M N 1.200 120.891 119.600 0.152 0.000 7.319 78 M HA -0.284 4.195 4.480 -0.002 0.000 0.298 78 M C 1.024 177.393 176.300 0.115 0.000 0.480 78 M CA 1.801 57.102 55.300 0.001 0.000 1.311 78 M CB -1.954 30.443 32.600 -0.339 0.000 0.421 78 M HN 0.380 nan 8.290 nan 0.000 0.915 79 Y N 0.063 120.395 120.300 0.053 0.000 2.546 79 Y HA 0.392 4.941 4.550 -0.001 0.000 0.287 79 Y C 2.201 178.163 175.900 0.103 0.000 1.158 79 Y CA 0.687 58.850 58.100 0.105 0.000 1.307 79 Y CB -1.562 36.998 38.460 0.166 0.000 1.036 79 Y HN 0.585 nan 8.280 nan 0.000 0.532 80 A N 0.211 123.172 122.820 0.235 0.000 1.917 80 A HA -0.248 4.071 4.320 -0.002 0.000 0.219 80 A C 2.066 179.776 177.584 0.210 0.000 1.182 80 A CA 2.018 54.167 52.037 0.186 0.000 0.633 80 A CB -1.017 18.073 19.000 0.151 0.000 0.819 80 A HN 0.438 nan 8.150 nan 0.000 0.448 81 F N -1.120 118.869 119.950 0.065 0.000 2.164 81 F HA 0.330 4.856 4.527 -0.001 0.000 0.287 81 F C 1.015 176.829 175.800 0.023 0.000 1.086 81 F CA 0.941 58.962 58.000 0.036 0.000 1.249 81 F CB 0.194 39.212 39.000 0.029 0.000 1.059 81 F HN 0.068 nan 8.300 nan 0.000 0.490 82 R N 0.966 121.492 120.500 0.044 0.000 2.502 82 R HA 0.327 4.666 4.340 -0.002 0.000 0.298 82 R C -2.739 173.609 176.300 0.080 0.000 1.018 82 R CA -2.339 53.694 56.100 -0.112 0.000 0.899 82 R CB 1.521 31.723 30.300 -0.162 0.000 1.181 82 R HN -0.064 nan 8.270 nan 0.000 0.444 83 P HA -0.002 nan 4.420 nan 0.000 0.271 83 P C -0.575 176.592 177.300 -0.221 0.000 1.244 83 P CA -0.268 62.674 63.100 -0.264 0.000 0.793 83 P CB 0.344 31.632 31.700 -0.686 0.000 0.984 84 W N 0.080 121.131 121.300 -0.414 0.000 2.073 84 W HA 0.280 4.939 4.660 -0.002 0.000 0.358 84 W C -0.581 175.893 176.519 -0.074 0.000 1.321 84 W CA -0.364 56.903 57.345 -0.130 0.000 1.317 84 W CB -1.470 27.887 29.460 -0.171 0.000 1.226 84 W HN 0.137 nan 8.180 nan 0.000 0.622 85 T N 3.429 118.080 114.554 0.161 0.000 2.729 85 T HA 0.262 4.611 4.350 -0.002 0.000 0.296 85 T C 0.292 175.088 174.700 0.159 0.000 0.928 85 T CA -0.465 61.671 62.100 0.060 0.000 1.045 85 T CB -0.007 68.926 68.868 0.108 0.000 0.902 85 T HN 0.297 nan 8.240 nan 0.000 0.500 86 I N 4.064 124.648 120.570 0.024 0.000 2.671 86 I HA 0.067 4.236 4.170 -0.002 0.000 0.285 86 I C 1.107 177.302 176.117 0.130 0.000 1.148 86 I CA 0.510 61.877 61.300 0.112 0.000 1.386 86 I CB -0.030 37.980 38.000 0.015 0.000 1.406 86 I HN 0.363 nan 8.210 nan 0.000 0.540 87 R N 5.984 126.610 120.500 0.210 0.000 2.477 87 R HA 0.196 4.535 4.340 -0.002 0.000 0.285 87 R C -0.769 175.695 176.300 0.275 0.000 1.415 87 R CA -0.658 55.573 56.100 0.218 0.000 1.446 87 R CB 0.571 31.024 30.300 0.255 0.000 1.110 87 R HN 0.535 nan 8.270 nan 0.000 0.590 88 Q N 3.588 123.506 119.800 0.196 0.000 2.294 88 Q HA 0.072 4.411 4.340 -0.002 0.000 0.257 88 Q C -0.423 175.743 176.000 0.276 0.000 0.955 88 Q CA -0.228 55.721 55.803 0.243 0.000 0.936 88 Q CB 0.780 29.549 28.738 0.053 0.000 1.188 88 Q HN 0.424 nan 8.270 nan 0.000 0.420 89 Y N 0.750 121.257 120.300 0.345 0.000 2.330 89 Y HA 0.553 5.102 4.550 -0.002 0.000 0.341 89 Y C 0.010 176.023 175.900 0.189 0.000 1.278 89 Y CA -0.632 57.535 58.100 0.112 0.000 1.453 89 Y CB 0.448 38.858 38.460 -0.084 0.000 1.342 89 Y HN 0.611 nan 8.280 nan 0.000 0.590 90 A N 0.220 123.327 122.820 0.478 0.000 3.201 90 A HA 0.926 5.245 4.320 -0.002 0.000 0.303 90 A C -0.036 177.825 177.584 0.461 0.000 1.173 90 A CA -0.458 51.854 52.037 0.457 0.000 0.621 90 A CB 0.587 19.872 19.000 0.474 0.000 1.468 90 A HN 2.241 nan 8.150 nan 0.000 0.632 91 G N -2.580 106.540 108.800 0.534 0.000 2.479 91 G HA2 0.493 4.452 3.960 -0.002 0.000 0.686 91 G HA3 0.493 4.452 3.960 -0.002 0.000 0.686 91 G C -1.083 174.068 174.900 0.419 0.000 1.295 91 G CA -0.011 45.352 45.100 0.438 0.000 0.922 91 G HN 1.912 nan 8.290 nan 0.000 0.582 92 F N -1.166 118.830 119.950 0.078 0.000 2.741 92 F HA 0.653 5.179 4.527 -0.002 0.000 0.313 92 F C 1.370 177.168 175.800 -0.003 0.000 1.153 92 F CA 0.218 58.236 58.000 0.030 0.000 0.931 92 F CB 1.500 40.505 39.000 0.007 0.000 1.335 92 F HN 0.521 nan 8.300 nan 0.000 0.460 93 S N -0.193 115.410 115.700 -0.161 0.000 2.469 93 S HA -0.011 4.458 4.470 -0.002 0.000 0.238 93 S C 0.325 174.967 174.600 0.070 0.000 0.998 93 S CA 1.441 59.590 58.200 -0.084 0.000 0.957 93 S CB -0.567 62.517 63.200 -0.195 0.000 0.764 93 S HN 0.655 nan 8.310 nan 0.000 0.514 94 T N -2.704 111.942 114.554 0.153 0.000 2.906 94 T HA 0.771 5.120 4.350 -0.002 0.000 0.295 94 T C 0.912 175.629 174.700 0.027 0.000 1.075 94 T CA -0.341 61.810 62.100 0.085 0.000 1.005 94 T CB 1.761 70.682 68.868 0.089 0.000 1.136 94 T HN -0.102 nan 8.240 nan 0.000 0.498 95 A N 1.330 124.151 122.820 0.002 0.000 1.902 95 A HA -0.028 4.291 4.320 -0.002 0.000 0.217 95 A C 2.213 179.755 177.584 -0.070 0.000 1.181 95 A CA 1.259 53.272 52.037 -0.040 0.000 0.623 95 A CB -0.780 18.215 19.000 -0.008 0.000 0.818 95 A HN 0.879 nan 8.150 nan 0.000 0.443 96 K N -0.498 119.876 120.400 -0.043 0.000 1.991 96 K HA -0.219 4.100 4.320 -0.002 0.000 0.212 96 K C 2.080 178.629 176.600 -0.085 0.000 1.049 96 K CA 1.709 57.964 56.287 -0.054 0.000 0.932 96 K CB -0.337 32.143 32.500 -0.034 0.000 0.717 96 K HN 0.646 nan 8.250 nan 0.000 0.441 97 E N 0.756 120.910 120.200 -0.077 0.000 2.058 97 E HA -0.160 4.189 4.350 -0.002 0.000 0.194 97 E C 2.132 178.655 176.600 -0.129 0.000 0.997 97 E CA 1.442 57.780 56.400 -0.104 0.000 0.801 97 E CB 0.116 29.746 29.700 -0.116 0.000 0.746 97 E HN 0.176 nan 8.360 nan 0.000 0.450 98 S N 0.651 116.238 115.700 -0.189 0.000 2.370 98 S HA -0.199 4.270 4.470 -0.002 0.000 0.226 98 S C 1.714 175.784 174.600 -0.884 0.000 1.033 98 S CA 1.230 59.108 58.200 -0.536 0.000 1.011 98 S CB -0.449 62.461 63.200 -0.484 0.000 0.852 98 S HN 0.390 nan 8.310 nan 0.000 0.457 99 N N 1.409 119.834 118.700 -0.459 0.000 2.244 99 N HA -0.084 4.655 4.740 -0.002 0.000 0.183 99 N C 1.794 177.224 175.510 -0.133 0.000 1.016 99 N CA 1.107 54.004 53.050 -0.255 0.000 0.866 99 N CB -0.196 38.221 38.487 -0.116 0.000 0.980 99 N HN 0.392 nan 8.380 nan 0.000 0.430 100 A N 0.653 123.410 122.820 -0.105 0.000 1.897 100 A HA -0.092 4.227 4.320 -0.002 0.000 0.215 100 A C 1.908 179.516 177.584 0.040 0.000 1.181 100 A CA 0.661 52.681 52.037 -0.029 0.000 0.620 100 A CB -0.917 18.059 19.000 -0.039 0.000 0.821 100 A HN 0.434 nan 8.150 nan 0.000 0.443 101 F N 0.130 119.965 119.950 -0.191 0.000 2.186 101 F HA -0.113 4.414 4.527 -0.001 0.000 0.299 101 F C 1.916 177.697 175.800 -0.031 0.000 1.090 101 F CA 0.801 58.721 58.000 -0.133 0.000 1.307 101 F CB -0.733 38.171 39.000 -0.159 0.000 1.019 101 F HN 0.350 nan 8.300 nan 0.000 0.489 102 Y N -0.083 120.177 120.300 -0.067 0.000 2.314 102 Y HA -0.016 4.534 4.550 -0.001 0.000 0.293 102 Y C 2.650 178.539 175.900 -0.019 0.000 1.129 102 Y CA 0.760 58.788 58.100 -0.121 0.000 1.201 102 Y CB -1.396 37.011 38.460 -0.090 0.000 0.999 102 Y HN -0.021 nan 8.280 nan 0.000 0.541 103 R N 0.446 121.028 120.500 0.136 0.000 2.083 103 R HA -0.165 4.174 4.340 -0.002 0.000 0.237 103 R C 2.369 178.724 176.300 0.093 0.000 1.137 103 R CA 1.836 57.996 56.100 0.100 0.000 0.951 103 R CB -0.149 30.190 30.300 0.066 0.000 0.851 103 R HN 0.312 nan 8.270 nan 0.000 0.434 104 R N -0.062 120.503 120.500 0.109 0.000 2.080 104 R HA -0.116 4.223 4.340 -0.002 0.000 0.236 104 R C 2.081 178.445 176.300 0.107 0.000 1.137 104 R CA 1.909 58.077 56.100 0.113 0.000 0.943 104 R CB -0.621 29.774 30.300 0.158 0.000 0.846 104 R HN 0.242 nan 8.270 nan 0.000 0.431 105 N N 0.768 119.535 118.700 0.111 0.000 2.021 105 N HA -0.227 4.512 4.740 -0.002 0.000 0.198 105 N C 1.645 177.186 175.510 0.051 0.000 1.041 105 N CA 1.543 54.632 53.050 0.064 0.000 0.862 105 N CB -0.327 38.160 38.487 0.000 0.000 1.048 105 N HN 0.088 nan 8.380 nan 0.000 0.427 106 L N 0.678 121.937 121.223 0.060 0.000 1.971 106 L HA -0.164 4.175 4.340 -0.002 0.000 0.215 106 L C 2.006 178.904 176.870 0.046 0.000 1.072 106 L CA 2.164 57.036 54.840 0.053 0.000 0.758 106 L CB -1.207 40.893 42.059 0.069 0.000 0.889 106 L HN 0.215 nan 8.230 nan 0.000 0.433 107 A N -0.026 122.824 122.820 0.050 0.000 1.870 107 A HA -0.314 4.005 4.320 -0.002 0.000 0.219 107 A C 2.496 180.101 177.584 0.036 0.000 1.224 107 A CA 3.340 55.402 52.037 0.042 0.000 0.650 107 A CB -1.701 17.325 19.000 0.044 0.000 0.836 107 A HN 0.777 nan 8.150 nan 0.000 0.454 108 A N -2.509 120.336 122.820 0.042 0.000 1.863 108 A HA 0.164 4.483 4.320 -0.002 0.000 0.218 108 A C 2.332 179.931 177.584 0.025 0.000 1.233 108 A CA 3.143 55.201 52.037 0.035 0.000 0.655 108 A CB -1.126 17.901 19.000 0.045 0.000 0.839 108 A HN 2.068 nan 8.150 nan 0.000 0.454 109 G N -4.788 104.026 108.800 0.024 0.000 3.658 109 G HA2 0.413 4.372 3.960 -0.002 0.000 0.220 109 G HA3 0.413 4.372 3.960 -0.002 0.000 0.220 109 G C 0.414 175.319 174.900 0.009 0.000 0.917 109 G CA 0.896 46.005 45.100 0.015 0.000 0.865 109 G HN 1.389 nan 8.290 nan 0.000 0.652 110 Q N 1.233 121.040 119.800 0.011 0.000 2.239 110 Q HA 0.541 4.880 4.340 -0.002 0.000 0.286 110 Q C 1.323 177.315 176.000 -0.012 0.000 1.102 110 Q CA 1.268 57.071 55.803 0.000 0.000 0.936 110 Q CB 0.317 29.059 28.738 0.007 0.000 1.127 110 Q HN 0.752 nan 8.270 nan 0.000 0.380 111 K N 2.678 123.066 120.400 -0.022 0.000 1.963 111 K HA 0.001 4.320 4.320 -0.002 0.000 0.216 111 K C 1.183 177.750 176.600 -0.055 0.000 1.045 111 K CA 1.335 57.603 56.287 -0.031 0.000 0.954 111 K CB -0.499 31.980 32.500 -0.034 0.000 0.732 111 K HN 0.847 nan 8.250 nan 0.000 0.442 112 G N 1.238 109.994 108.800 -0.073 0.000 2.353 112 G HA2 0.315 4.274 3.960 -0.002 0.000 0.239 112 G HA3 0.315 4.274 3.960 -0.002 0.000 0.239 112 G C -0.917 173.904 174.900 -0.131 0.000 1.295 112 G CA -0.119 44.917 45.100 -0.106 0.000 0.884 112 G HN 0.305 nan 8.290 nan 0.000 0.537 113 L N 1.627 122.739 121.223 -0.185 0.000 2.436 113 L HA 0.398 4.737 4.340 -0.002 0.000 0.268 113 L C -0.017 176.692 176.870 -0.270 0.000 0.974 113 L CA -0.752 53.915 54.840 -0.289 0.000 0.826 113 L CB 2.344 44.113 42.059 -0.483 0.000 1.291 113 L HN 0.429 nan 8.230 nan 0.000 0.406 114 S N 1.357 116.941 115.700 -0.193 0.000 2.565 114 S HA 0.728 5.197 4.470 -0.002 0.000 0.290 114 S C -0.308 174.246 174.600 -0.077 0.000 1.150 114 S CA -0.534 57.598 58.200 -0.113 0.000 1.058 114 S CB 2.106 65.287 63.200 -0.033 0.000 1.032 114 S HN 0.292 nan 8.310 nan 0.000 0.510 115 V N 1.854 121.700 119.914 -0.114 0.000 2.628 115 V HA 0.849 4.968 4.120 -0.002 0.000 0.306 115 V C -0.009 175.828 176.094 -0.429 0.000 1.045 115 V CA -0.841 61.317 62.300 -0.237 0.000 0.905 115 V CB 1.486 33.094 31.823 -0.358 0.000 0.997 115 V HN 0.953 nan 8.190 nan 0.000 0.436 116 A N 3.781 126.333 122.820 -0.445 0.000 2.350 116 A HA 0.968 5.287 4.320 -0.002 0.000 0.324 116 A C -1.268 176.044 177.584 -0.453 0.000 1.118 116 A CA -0.375 51.472 52.037 -0.316 0.000 0.783 116 A CB 0.964 19.898 19.000 -0.109 0.000 1.236 116 A HN 0.619 nan 8.150 nan 0.000 0.457 117 F N 0.956 120.937 119.950 0.052 0.000 2.563 117 F HA 0.432 4.958 4.527 -0.001 0.000 0.316 117 F C 0.373 176.226 175.800 0.090 0.000 1.076 117 F CA -0.873 57.114 58.000 -0.022 0.000 0.921 117 F CB 1.651 40.476 39.000 -0.291 0.000 1.209 117 F HN 0.722 nan 8.300 nan 0.000 0.462 118 D N 1.209 121.748 120.400 0.231 0.000 2.371 118 D HA 0.022 4.661 4.640 -0.002 0.000 0.242 118 D C 1.056 177.517 176.300 0.268 0.000 1.218 118 D CA -0.343 53.767 54.000 0.183 0.000 0.945 118 D CB 0.705 41.571 40.800 0.109 0.000 1.137 118 D HN 0.281 nan 8.370 nan 0.000 0.464 119 L N 0.440 121.777 121.223 0.190 0.000 2.017 119 L HA -0.052 4.287 4.340 -0.002 0.000 0.208 119 L C -0.610 176.341 176.870 0.136 0.000 1.073 119 L CA 1.723 56.657 54.840 0.157 0.000 0.745 119 L CB -2.397 39.703 42.059 0.069 0.000 0.894 119 L HN 0.510 nan 8.230 nan 0.000 0.432 120 P HA -0.094 nan 4.420 nan 0.000 0.216 120 P C 1.632 178.997 177.300 0.108 0.000 1.153 120 P CA 1.406 64.608 63.100 0.170 0.000 0.848 120 P CB -0.182 31.596 31.700 0.131 0.000 0.787 121 T N -0.535 114.052 114.554 0.055 0.000 2.635 121 T HA -0.214 4.135 4.350 -0.002 0.000 0.267 121 T C 1.760 176.352 174.700 -0.181 0.000 1.040 121 T CA 1.428 63.498 62.100 -0.051 0.000 1.156 121 T CB -1.183 67.678 68.868 -0.012 0.000 0.863 121 T HN 0.244 nan 8.240 nan 0.000 0.430 122 H N 1.210 120.225 119.070 -0.092 0.000 2.319 122 H HA -0.008 4.547 4.556 -0.002 0.000 0.297 122 H C 2.092 177.293 175.328 -0.212 0.000 1.097 122 H CA 1.300 57.254 56.048 -0.158 0.000 1.285 122 H CB -0.030 29.663 29.762 -0.115 0.000 1.368 122 H HN 0.244 nan 8.280 nan 0.000 0.495 123 R N 0.131 120.577 120.500 -0.091 0.000 2.391 123 R HA 0.082 4.421 4.340 -0.002 0.000 0.249 123 R C 0.709 176.700 176.300 -0.516 0.000 0.957 123 R CA 0.453 56.382 56.100 -0.284 0.000 1.093 123 R CB 0.354 30.520 30.300 -0.224 0.000 1.156 123 R HN 0.403 nan 8.270 nan 0.000 0.526 124 G N 1.321 109.897 108.800 -0.373 0.000 2.273 124 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.280 124 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.280 124 G C -0.509 174.147 174.900 -0.408 0.000 1.047 124 G CA 0.221 45.109 45.100 -0.353 0.000 0.869 124 G HN 0.299 nan 8.290 nan 0.000 0.502 125 Y N 0.116 120.364 120.300 -0.086 0.000 2.420 125 Y HA 0.543 5.092 4.550 -0.001 0.000 0.334 125 Y C 0.673 176.548 175.900 -0.042 0.000 1.094 125 Y CA -1.269 56.792 58.100 -0.064 0.000 1.126 125 Y CB 1.219 39.636 38.460 -0.071 0.000 1.217 125 Y HN 0.093 nan 8.280 nan 0.000 0.462 126 D N -0.112 120.382 120.400 0.157 0.000 2.348 126 D HA 0.151 4.790 4.640 -0.002 0.000 0.249 126 D C 0.623 176.970 176.300 0.079 0.000 1.110 126 D CA -0.037 54.012 54.000 0.082 0.000 0.967 126 D CB 1.616 42.447 40.800 0.052 0.000 1.139 126 D HN 0.536 nan 8.370 nan 0.000 0.466 127 S N 0.165 115.897 115.700 0.054 0.000 2.447 127 S HA -0.151 4.318 4.470 -0.002 0.000 0.233 127 S C 1.284 175.899 174.600 0.024 0.000 1.006 127 S CA 0.824 59.048 58.200 0.039 0.000 0.957 127 S CB -0.053 63.172 63.200 0.042 0.000 0.773 127 S HN 0.574 nan 8.310 nan 0.000 0.507 128 D N 1.085 121.500 120.400 0.025 0.000 2.347 128 D HA -0.050 4.590 4.640 -0.002 0.000 0.213 128 D C 0.424 176.729 176.300 0.009 0.000 0.985 128 D CA 0.065 54.075 54.000 0.017 0.000 0.879 128 D CB -0.680 40.133 40.800 0.022 0.000 0.919 128 D HN 0.119 nan 8.370 nan 0.000 0.526 129 N N 1.996 120.702 118.700 0.009 0.000 2.411 129 N HA -0.024 4.715 4.740 -0.002 0.000 0.265 129 N C -1.508 173.973 175.510 -0.049 0.000 1.266 129 N CA -0.893 52.149 53.050 -0.013 0.000 0.889 129 N CB 1.595 40.071 38.487 -0.018 0.000 1.069 129 N HN -0.048 nan 8.380 nan 0.000 0.476 130 P HA -0.139 nan 4.420 nan 0.000 0.215 130 P C 1.253 178.508 177.300 -0.075 0.000 1.153 130 P CA 1.129 64.202 63.100 -0.045 0.000 0.853 130 P CB 0.201 31.884 31.700 -0.028 0.000 0.788 131 R N 0.458 120.888 120.500 -0.117 0.000 2.127 131 R HA -0.092 4.247 4.340 -0.002 0.000 0.238 131 R C 1.601 177.782 176.300 -0.199 0.000 1.134 131 R CA 1.729 57.731 56.100 -0.164 0.000 0.975 131 R CB -0.390 29.765 30.300 -0.242 0.000 0.865 131 R HN 0.204 nan 8.270 nan 0.000 0.447 132 V N -3.397 116.381 119.914 -0.227 0.000 3.542 132 V HA 0.398 4.517 4.120 -0.002 0.000 0.296 132 V C 1.706 177.751 176.094 -0.083 0.000 1.364 132 V CA 0.458 62.649 62.300 -0.182 0.000 1.118 132 V CB 0.212 31.898 31.823 -0.228 0.000 0.972 132 V HN 0.257 nan 8.190 nan 0.000 0.430 133 A N 2.326 125.109 122.820 -0.062 0.000 1.893 133 A HA -0.228 4.091 4.320 -0.002 0.000 0.222 133 A C 2.373 179.945 177.584 -0.020 0.000 1.309 133 A CA 2.980 54.998 52.037 -0.032 0.000 0.681 133 A CB -1.660 17.323 19.000 -0.029 0.000 0.842 133 A HN 0.940 nan 8.150 nan 0.000 0.468 134 G N -1.403 107.383 108.800 -0.022 0.000 2.462 134 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.220 134 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.220 134 G C 1.136 176.033 174.900 -0.005 0.000 1.121 134 G CA 1.235 46.326 45.100 -0.014 0.000 0.758 134 G HN 0.596 nan 8.290 nan 0.000 0.559 135 D N -0.028 120.370 120.400 -0.003 0.000 2.305 135 D HA 0.034 4.673 4.640 -0.002 0.000 0.206 135 D C 1.105 177.418 176.300 0.022 0.000 0.974 135 D CA -0.031 53.977 54.000 0.013 0.000 0.871 135 D CB 0.312 41.122 40.800 0.016 0.000 0.947 135 D HN 0.051 nan 8.370 nan 0.000 0.516 136 V N 1.160 121.084 119.914 0.017 0.000 2.625 136 V HA 0.098 4.217 4.120 -0.002 0.000 0.305 136 V C 1.748 177.860 176.094 0.030 0.000 1.055 136 V CA 1.413 63.730 62.300 0.029 0.000 1.209 136 V CB 0.230 32.067 31.823 0.024 0.000 0.877 136 V HN 0.516 nan 8.190 nan 0.000 0.489 137 G N 4.084 112.906 108.800 0.038 0.000 2.212 137 G HA2 -0.312 3.648 3.960 -0.002 0.000 0.266 137 G HA3 -0.312 3.648 3.960 -0.002 0.000 0.266 137 G C 0.683 175.586 174.900 0.005 0.000 0.978 137 G CA 0.575 45.691 45.100 0.028 0.000 0.632 137 G HN 0.490 nan 8.290 nan 0.000 0.537 138 M N 0.577 120.181 119.600 0.006 0.000 2.073 138 M HA 0.246 4.725 4.480 -0.002 0.000 0.259 138 M C 2.957 179.238 176.300 -0.031 0.000 1.079 138 M CA 2.242 57.534 55.300 -0.012 0.000 1.131 138 M CB -1.671 30.935 32.600 0.010 0.000 1.316 138 M HN 0.695 nan 8.290 nan 0.000 0.415 139 A N -0.487 122.340 122.820 0.012 0.000 2.119 139 A HA 0.406 4.725 4.320 -0.002 0.000 0.217 139 A C 1.240 178.822 177.584 -0.002 0.000 1.153 139 A CA 1.327 53.373 52.037 0.015 0.000 0.692 139 A CB -0.536 18.507 19.000 0.072 0.000 0.799 139 A HN 0.601 nan 8.150 nan 0.000 0.458 140 G N -2.562 106.235 108.800 -0.005 0.000 2.317 140 G HA2 0.381 4.340 3.960 -0.002 0.000 0.293 140 G HA3 0.381 4.340 3.960 -0.002 0.000 0.293 140 G C -0.921 173.975 174.900 -0.007 0.000 1.287 140 G CA -0.181 44.897 45.100 -0.037 0.000 0.850 140 G HN 0.457 nan 8.290 nan 0.000 0.515 141 V N 0.910 120.800 119.914 -0.039 0.000 2.694 141 V HA 0.375 4.494 4.120 -0.002 0.000 0.306 141 V C 1.287 177.431 176.094 0.083 0.000 1.054 141 V CA 0.492 62.795 62.300 0.005 0.000 1.161 141 V CB 0.811 32.611 31.823 -0.037 0.000 0.916 141 V HN 1.560 nan 8.190 nan 0.000 0.490 142 A N 7.157 130.027 122.820 0.083 0.000 2.395 142 A HA 0.542 4.861 4.320 -0.002 0.000 0.286 142 A C -0.238 177.417 177.584 0.119 0.000 1.193 142 A CA -0.276 51.820 52.037 0.098 0.000 0.852 142 A CB -0.407 18.637 19.000 0.073 0.000 1.118 142 A HN 0.592 nan 8.150 nan 0.000 0.524 143 I N 3.415 124.073 120.570 0.146 0.000 2.328 143 I HA 0.255 4.424 4.170 -0.002 0.000 0.287 143 I C -0.129 176.032 176.117 0.073 0.000 1.012 143 I CA -0.201 61.182 61.300 0.139 0.000 1.195 143 I CB 1.152 39.268 38.000 0.194 0.000 1.350 143 I HN 0.664 nan 8.210 nan 0.000 0.464 144 D N 2.983 123.420 120.400 0.062 0.000 2.525 144 D HA 0.080 4.719 4.640 -0.002 0.000 0.248 144 D C 0.898 177.197 176.300 -0.002 0.000 1.000 144 D CA 0.836 54.853 54.000 0.029 0.000 0.923 144 D CB 1.131 41.951 40.800 0.034 0.000 1.101 144 D HN 0.590 nan 8.370 nan 0.000 0.493 145 S N -0.976 114.724 115.700 0.000 0.000 2.757 145 S HA 0.196 4.665 4.470 -0.002 0.000 0.285 145 S C 0.635 175.226 174.600 -0.014 0.000 1.196 145 S CA -0.582 57.587 58.200 -0.052 0.000 0.856 145 S CB 0.792 63.894 63.200 -0.164 0.000 1.212 145 S HN -0.154 nan 8.310 nan 0.000 0.516 146 I N 1.226 121.762 120.570 -0.057 0.000 2.248 146 I HA -0.068 4.101 4.170 -0.002 0.000 0.248 146 I C 1.895 178.096 176.117 0.140 0.000 1.107 146 I CA 1.673 62.986 61.300 0.021 0.000 1.373 146 I CB -0.955 37.038 38.000 -0.012 0.000 1.055 146 I HN 0.690 nan 8.210 nan 0.000 0.418 147 Y N 1.141 121.468 120.300 0.045 0.000 2.069 147 Y HA -0.320 4.229 4.550 -0.001 0.000 0.278 147 Y C 2.563 178.497 175.900 0.057 0.000 1.175 147 Y CA 1.453 59.580 58.100 0.045 0.000 1.134 147 Y CB -1.701 36.779 38.460 0.034 0.000 0.965 147 Y HN 0.307 nan 8.280 nan 0.000 0.498 148 D N -0.560 119.977 120.400 0.227 0.000 2.106 148 D HA -0.223 4.416 4.640 -0.002 0.000 0.191 148 D C 2.268 178.662 176.300 0.158 0.000 0.997 148 D CA 1.694 55.789 54.000 0.159 0.000 0.834 148 D CB -0.460 40.424 40.800 0.141 0.000 0.956 148 D HN 0.263 nan 8.370 nan 0.000 0.448 149 M N 0.729 120.449 119.600 0.201 0.000 2.065 149 M HA -0.123 4.356 4.480 -0.002 0.000 0.259 149 M C 2.164 178.646 176.300 0.304 0.000 1.069 149 M CA 1.416 56.890 55.300 0.291 0.000 1.110 149 M CB -0.255 32.515 32.600 0.284 0.000 1.328 149 M HN -0.161 nan 8.290 nan 0.000 0.405 150 R N -0.462 120.174 120.500 0.228 0.000 2.115 150 R HA -0.265 4.074 4.340 -0.002 0.000 0.239 150 R C 2.221 178.614 176.300 0.155 0.000 1.133 150 R CA 2.364 58.578 56.100 0.190 0.000 0.935 150 R CB -0.551 29.846 30.300 0.162 0.000 0.853 150 R HN 0.612 nan 8.270 nan 0.000 0.433 151 E N 0.172 120.439 120.200 0.111 0.000 2.049 151 E HA -0.266 4.083 4.350 -0.002 0.000 0.198 151 E C 1.904 178.515 176.600 0.018 0.000 1.007 151 E CA 1.559 57.993 56.400 0.057 0.000 0.809 151 E CB -0.174 29.556 29.700 0.050 0.000 0.749 151 E HN 0.143 nan 8.360 nan 0.000 0.450 152 L N -0.030 121.174 121.223 -0.031 0.000 1.997 152 L HA -0.183 4.156 4.340 -0.002 0.000 0.216 152 L C 1.749 178.445 176.870 -0.290 0.000 1.074 152 L CA 1.817 56.522 54.840 -0.226 0.000 0.763 152 L CB -0.610 41.202 42.059 -0.411 0.000 0.890 152 L HN 0.262 nan 8.230 nan 0.000 0.434 153 F N -0.300 119.762 119.950 0.186 0.000 2.645 153 F HA 0.402 4.928 4.527 -0.001 0.000 0.300 153 F C 1.228 177.093 175.800 0.108 0.000 1.115 153 F CA -0.272 57.826 58.000 0.164 0.000 1.355 153 F CB -1.202 37.887 39.000 0.149 0.000 1.026 153 F HN -0.022 nan 8.300 nan 0.000 0.536 154 A N 0.598 123.524 122.820 0.177 0.000 2.540 154 A HA 0.370 4.689 4.320 -0.002 0.000 0.264 154 A C 1.589 179.242 177.584 0.114 0.000 1.080 154 A CA 0.908 53.015 52.037 0.117 0.000 0.776 154 A CB -0.978 18.062 19.000 0.067 0.000 1.011 154 A HN 1.019 nan 8.150 nan 0.000 0.514 155 G N 1.747 110.611 108.800 0.105 0.000 2.176 155 G HA2 -0.182 3.778 3.960 -0.002 0.000 0.253 155 G HA3 -0.182 3.778 3.960 -0.002 0.000 0.253 155 G C -0.011 174.956 174.900 0.112 0.000 0.979 155 G CA 0.215 45.370 45.100 0.092 0.000 0.641 155 G HN 0.805 nan 8.290 nan 0.000 0.530 156 I N 2.154 122.818 120.570 0.157 0.000 2.330 156 I HA 0.319 4.488 4.170 -0.002 0.000 0.286 156 I C -2.115 174.074 176.117 0.120 0.000 1.025 156 I CA -3.527 57.876 61.300 0.172 0.000 1.197 156 I CB 0.823 39.009 38.000 0.310 0.000 1.358 156 I HN -0.142 nan 8.210 nan 0.000 0.467 157 P HA 0.102 nan 4.420 nan 0.000 0.259 157 P C 0.674 177.997 177.300 0.040 0.000 1.211 157 P CA 0.159 63.287 63.100 0.046 0.000 0.810 157 P CB 0.395 32.117 31.700 0.037 0.000 0.815 158 L N 2.321 123.551 121.223 0.012 0.000 2.592 158 L HA 0.021 4.360 4.340 -0.002 0.000 0.227 158 L C 1.839 178.730 176.870 0.034 0.000 1.127 158 L CA 0.404 55.251 54.840 0.011 0.000 0.884 158 L CB -0.514 41.499 42.059 -0.076 0.000 1.065 158 L HN 0.315 nan 8.230 nan 0.000 0.457 159 D N -0.402 120.010 120.400 0.020 0.000 2.347 159 D HA -0.164 4.475 4.640 -0.002 0.000 0.213 159 D C 1.631 177.947 176.300 0.027 0.000 0.985 159 D CA 0.668 54.684 54.000 0.026 0.000 0.879 159 D CB 0.322 41.129 40.800 0.012 0.000 0.919 159 D HN 0.388 nan 8.370 nan 0.000 0.526 160 Q N -1.112 118.703 119.800 0.025 0.000 2.353 160 Q HA 0.215 4.554 4.340 -0.002 0.000 0.240 160 Q C 0.127 176.136 176.000 0.016 0.000 0.868 160 Q CA -0.149 55.665 55.803 0.019 0.000 0.944 160 Q CB 0.647 29.396 28.738 0.018 0.000 1.104 160 Q HN 0.065 nan 8.270 nan 0.000 0.531 161 M N -0.011 119.603 119.600 0.023 0.000 2.274 161 M HA 0.249 4.729 4.480 -0.002 0.000 0.344 161 M C -0.535 175.762 176.300 -0.004 0.000 1.161 161 M CA -0.181 55.125 55.300 0.010 0.000 1.126 161 M CB 1.773 34.388 32.600 0.025 0.000 1.522 161 M HN -0.223 nan 8.290 nan 0.000 0.461 162 S N 2.179 117.849 115.700 -0.051 0.000 2.433 162 S HA 0.706 5.176 4.470 -0.002 0.000 0.310 162 S C -1.224 173.285 174.600 -0.153 0.000 1.097 162 S CA -0.663 57.476 58.200 -0.101 0.000 1.103 162 S CB 0.432 63.559 63.200 -0.121 0.000 0.992 162 S HN 0.473 nan 8.310 nan 0.000 0.469 163 V N 4.537 124.332 119.914 -0.198 0.000 2.417 163 V HA 0.522 4.641 4.120 -0.002 0.000 0.291 163 V C 0.120 176.022 176.094 -0.319 0.000 1.024 163 V CA -0.647 61.508 62.300 -0.242 0.000 0.861 163 V CB 1.703 33.346 31.823 -0.301 0.000 0.985 163 V HN 0.820 nan 8.190 nan 0.000 0.436 164 S N 7.108 122.661 115.700 -0.245 0.000 2.438 164 S HA 0.656 5.125 4.470 -0.002 0.000 0.316 164 S C -0.571 173.968 174.600 -0.102 0.000 1.084 164 S CA -0.639 57.425 58.200 -0.227 0.000 1.107 164 S CB 0.348 63.420 63.200 -0.214 0.000 0.981 164 S HN 0.657 nan 8.310 nan 0.000 0.466 165 M N 4.051 123.643 119.600 -0.014 0.000 2.167 165 M HA 0.223 4.702 4.480 -0.002 0.000 0.333 165 M C 0.028 176.447 176.300 0.198 0.000 1.030 165 M CA -0.370 55.043 55.300 0.188 0.000 0.963 165 M CB 1.899 34.676 32.600 0.294 0.000 1.589 165 M HN 0.643 nan 8.290 nan 0.000 0.431 166 T N 5.080 119.804 114.554 0.284 0.000 3.316 166 T HA 0.563 4.912 4.350 -0.002 0.000 0.341 166 T C -0.940 173.973 174.700 0.356 0.000 1.397 166 T CA -0.455 61.779 62.100 0.223 0.000 1.085 166 T CB -0.199 68.745 68.868 0.127 0.000 1.160 166 T HN 0.625 nan 8.240 nan 0.000 0.694 167 M N 4.635 124.336 119.600 0.167 0.000 2.277 167 M HA 0.497 4.976 4.480 -0.002 0.000 0.282 167 M C -0.753 175.538 176.300 -0.014 0.000 1.074 167 M CA -0.312 54.970 55.300 -0.030 0.000 0.954 167 M CB 1.443 33.802 32.600 -0.401 0.000 1.672 167 M HN 0.289 nan 8.290 nan 0.000 0.471 168 N N 2.085 120.797 118.700 0.019 0.000 2.529 168 N HA 0.188 4.928 4.740 -0.002 0.000 0.231 168 N C 1.061 176.541 175.510 -0.050 0.000 1.072 168 N CA 0.810 53.844 53.050 -0.027 0.000 0.854 168 N CB 0.425 38.883 38.487 -0.048 0.000 1.465 168 N HN 0.807 nan 8.380 nan 0.000 0.452 169 G N 1.445 110.216 108.800 -0.048 0.000 2.496 169 G HA2 -0.018 3.941 3.960 -0.002 0.000 0.214 169 G HA3 -0.018 3.941 3.960 -0.002 0.000 0.214 169 G C 0.914 175.773 174.900 -0.067 0.000 1.234 169 G CA 0.881 45.929 45.100 -0.086 0.000 0.807 169 G HN 0.340 nan 8.290 nan 0.000 0.543 170 A N 0.892 123.637 122.820 -0.125 0.000 3.019 170 A HA 0.480 4.799 4.320 -0.002 0.000 0.262 170 A C 2.002 179.497 177.584 -0.149 0.000 1.509 170 A CA 0.521 52.481 52.037 -0.127 0.000 1.159 170 A CB -0.603 18.278 19.000 -0.198 0.000 1.042 170 A HN 0.732 nan 8.150 nan 0.000 0.641 171 V N -1.995 117.857 119.914 -0.104 0.000 2.287 171 V HA -0.290 3.829 4.120 -0.002 0.000 0.248 171 V C 2.107 178.143 176.094 -0.096 0.000 1.053 171 V CA 1.987 64.226 62.300 -0.102 0.000 1.027 171 V CB -1.298 30.486 31.823 -0.065 0.000 0.646 171 V HN 0.544 nan 8.190 nan 0.000 0.447 172 L N 0.700 121.878 121.223 -0.075 0.000 1.971 172 L HA -0.082 4.257 4.340 -0.002 0.000 0.215 172 L C 0.548 177.354 176.870 -0.107 0.000 1.072 172 L CA 2.438 57.221 54.840 -0.094 0.000 0.758 172 L CB -2.104 39.909 42.059 -0.077 0.000 0.889 172 L HN 0.358 nan 8.230 nan 0.000 0.433 173 P HA -0.129 nan 4.420 nan 0.000 0.221 173 P C 1.721 178.966 177.300 -0.093 0.000 1.150 173 P CA 1.319 64.365 63.100 -0.091 0.000 0.800 173 P CB -0.003 31.649 31.700 -0.080 0.000 0.787 174 I N -0.989 119.505 120.570 -0.127 0.000 2.406 174 I HA -0.092 4.078 4.170 -0.002 0.000 0.249 174 I C 2.275 178.373 176.117 -0.033 0.000 1.122 174 I CA 0.762 61.995 61.300 -0.113 0.000 1.431 174 I CB -1.538 36.275 38.000 -0.311 0.000 1.087 174 I HN -0.046 nan 8.210 nan 0.000 0.424 175 L N 1.573 122.750 121.223 -0.078 0.000 2.093 175 L HA -0.000 4.339 4.340 -0.002 0.000 0.208 175 L C 2.512 179.313 176.870 -0.117 0.000 1.085 175 L CA 1.970 56.748 54.840 -0.102 0.000 0.755 175 L CB -0.911 41.050 42.059 -0.162 0.000 0.904 175 L HN 0.155 nan 8.230 nan 0.000 0.435 176 A N -0.719 122.021 122.820 -0.134 0.000 1.898 176 A HA -0.111 4.208 4.320 -0.002 0.000 0.216 176 A C 2.250 179.777 177.584 -0.095 0.000 1.181 176 A CA 1.671 53.618 52.037 -0.150 0.000 0.620 176 A CB -0.764 18.142 19.000 -0.156 0.000 0.819 176 A HN 0.467 nan 8.150 nan 0.000 0.442 177 L N -2.093 119.104 121.223 -0.043 0.000 2.141 177 L HA -0.176 4.163 4.340 -0.002 0.000 0.209 177 L C 2.541 179.430 176.870 0.031 0.000 1.094 177 L CA 1.463 56.303 54.840 -0.001 0.000 0.763 177 L CB -0.575 41.505 42.059 0.036 0.000 0.908 177 L HN 0.569 nan 8.230 nan 0.000 0.437 178 Y N 0.469 120.735 120.300 -0.056 0.000 2.097 178 Y HA -0.267 4.282 4.550 -0.002 0.000 0.282 178 Y C 2.427 178.228 175.900 -0.165 0.000 1.152 178 Y CA 1.767 59.801 58.100 -0.109 0.000 1.136 178 Y CB -0.391 37.983 38.460 -0.143 0.000 0.975 178 Y HN -0.155 nan 8.280 nan 0.000 0.498 179 V N -0.920 118.838 119.914 -0.259 0.000 2.392 179 V HA -0.323 3.796 4.120 -0.002 0.000 0.249 179 V C 2.346 178.303 176.094 -0.230 0.000 1.059 179 V CA 1.761 63.897 62.300 -0.274 0.000 1.051 179 V CB -0.952 30.767 31.823 -0.174 0.000 0.658 179 V HN 0.349 nan 8.190 nan 0.000 0.455 180 V N -0.160 119.654 119.914 -0.166 0.000 2.427 180 V HA -0.244 3.875 4.120 -0.002 0.000 0.248 180 V C 2.519 178.542 176.094 -0.120 0.000 1.051 180 V CA 2.478 64.709 62.300 -0.114 0.000 1.048 180 V CB -1.048 30.731 31.823 -0.074 0.000 0.666 180 V HN 0.616 nan 8.190 nan 0.000 0.456 181 T N 0.555 115.014 114.554 -0.159 0.000 2.737 181 T HA -0.129 4.220 4.350 -0.002 0.000 0.265 181 T C 2.142 176.720 174.700 -0.203 0.000 1.038 181 T CA 1.557 63.577 62.100 -0.133 0.000 1.144 181 T CB -0.462 68.349 68.868 -0.095 0.000 0.866 181 T HN 0.562 nan 8.240 nan 0.000 0.434 182 A N 1.511 124.107 122.820 -0.373 0.000 1.892 182 A HA -0.214 4.105 4.320 -0.002 0.000 0.218 182 A C 2.197 179.682 177.584 -0.165 0.000 1.188 182 A CA 2.105 53.955 52.037 -0.312 0.000 0.631 182 A CB -0.701 18.053 19.000 -0.410 0.000 0.822 182 A HN 0.624 nan 8.150 nan 0.000 0.447 183 E N -0.290 119.827 120.200 -0.137 0.000 2.204 183 E HA -0.189 4.160 4.350 -0.002 0.000 0.194 183 E C 1.761 178.329 176.600 -0.053 0.000 0.989 183 E CA 1.096 57.447 56.400 -0.081 0.000 0.824 183 E CB -0.103 29.554 29.700 -0.071 0.000 0.756 183 E HN 0.769 nan 8.360 nan 0.000 0.477 184 E N 0.128 120.299 120.200 -0.048 0.000 2.274 184 E HA -0.174 4.175 4.350 -0.002 0.000 0.194 184 E C 1.667 178.257 176.600 -0.016 0.000 0.996 184 E CA 0.911 57.298 56.400 -0.022 0.000 0.840 184 E CB 0.048 29.745 29.700 -0.005 0.000 0.772 184 E HN 0.431 nan 8.360 nan 0.000 0.491 185 Q N -0.380 119.403 119.800 -0.029 0.000 2.220 185 Q HA 0.173 4.512 4.340 -0.002 0.000 0.205 185 Q C 0.722 176.709 176.000 -0.022 0.000 0.865 185 Q CA 0.454 56.247 55.803 -0.017 0.000 0.960 185 Q CB 0.733 29.464 28.738 -0.011 0.000 1.097 185 Q HN 0.145 nan 8.270 nan 0.000 0.493 186 G N 0.631 109.414 108.800 -0.028 0.000 2.147 186 G HA2 -0.229 3.731 3.960 -0.002 0.000 0.244 186 G HA3 -0.229 3.731 3.960 -0.002 0.000 0.244 186 G C -0.128 174.754 174.900 -0.029 0.000 1.005 186 G CA 0.212 45.298 45.100 -0.024 0.000 0.713 186 G HN 0.279 nan 8.290 nan 0.000 0.515 187 V N 0.546 120.431 119.914 -0.048 0.000 2.427 187 V HA 0.541 4.660 4.120 -0.002 0.000 0.286 187 V C 0.791 176.852 176.094 -0.055 0.000 1.034 187 V CA -0.692 61.578 62.300 -0.050 0.000 0.893 187 V CB 1.527 33.309 31.823 -0.069 0.000 0.982 187 V HN 0.345 nan 8.190 nan 0.000 0.452 188 K N 4.756 125.136 120.400 -0.034 0.000 2.098 188 K HA 0.325 4.644 4.320 -0.002 0.000 0.244 188 K C -1.728 174.855 176.600 -0.028 0.000 1.014 188 K CA -1.217 55.052 56.287 -0.029 0.000 0.917 188 K CB 0.827 33.317 32.500 -0.017 0.000 1.072 188 K HN 0.637 nan 8.250 nan 0.000 0.477 189 P HA -0.146 nan 4.420 nan 0.000 0.216 189 P C 0.724 178.033 177.300 0.016 0.000 1.150 189 P CA 1.241 64.338 63.100 -0.005 0.000 0.837 189 P CB 0.122 31.841 31.700 0.031 0.000 0.786 190 E N -0.172 120.033 120.200 0.007 0.000 2.171 190 E HA -0.199 4.150 4.350 -0.002 0.000 0.197 190 E C 1.543 178.168 176.600 0.042 0.000 0.997 190 E CA 1.268 57.679 56.400 0.018 0.000 0.810 190 E CB -0.769 28.930 29.700 -0.001 0.000 0.738 190 E HN 0.466 nan 8.360 nan 0.000 0.467 191 Q N -0.328 119.497 119.800 0.040 0.000 2.204 191 Q HA 0.244 4.583 4.340 -0.002 0.000 0.209 191 Q C -0.478 175.574 176.000 0.086 0.000 0.861 191 Q CA -0.118 55.714 55.803 0.050 0.000 0.971 191 Q CB 0.497 29.251 28.738 0.025 0.000 1.095 191 Q HN 0.174 nan 8.270 nan 0.000 0.486 192 L N 1.284 122.592 121.223 0.141 0.000 2.264 192 L HA 0.553 4.892 4.340 -0.002 0.000 0.289 192 L C -0.275 176.815 176.870 0.368 0.000 1.044 192 L CA -0.864 54.132 54.840 0.259 0.000 0.807 192 L CB 1.125 43.349 42.059 0.274 0.000 1.192 192 L HN 0.040 nan 8.230 nan 0.000 0.425 193 A N 3.050 126.024 122.820 0.257 0.000 2.276 193 A HA 0.908 5.228 4.320 -0.002 0.000 0.316 193 A C 0.182 177.729 177.584 -0.061 0.000 1.229 193 A CA 0.100 52.200 52.037 0.105 0.000 0.851 193 A CB 1.162 20.167 19.000 0.008 0.000 1.165 193 A HN 0.820 nan 8.150 nan 0.000 0.513 194 G N 0.175 108.694 108.800 -0.469 0.000 2.321 194 G HA2 0.558 4.517 3.960 -0.002 0.000 0.296 194 G HA3 0.558 4.517 3.960 -0.002 0.000 0.296 194 G C -1.051 172.884 174.900 -1.610 0.000 1.287 194 G CA -0.101 44.348 45.100 -1.085 0.000 0.846 194 G HN 0.933 nan 8.290 nan 0.000 0.508 195 T N 0.029 113.776 114.554 -1.345 0.000 2.912 195 T HA 0.663 5.012 4.350 -0.002 0.000 0.299 195 T C -1.000 173.411 174.700 -0.482 0.000 1.052 195 T CA -0.241 61.338 62.100 -0.867 0.000 0.996 195 T CB 1.976 70.560 68.868 -0.474 0.000 1.070 195 T HN 0.779 nan 8.240 nan 0.000 0.465 196 I N 2.216 122.684 120.570 -0.170 0.000 2.499 196 I HA 0.325 4.494 4.170 -0.002 0.000 0.288 196 I C 1.322 177.450 176.117 0.017 0.000 1.048 196 I CA -0.583 60.786 61.300 0.114 0.000 1.062 196 I CB 1.955 40.197 38.000 0.403 0.000 1.238 196 I HN 0.731 nan 8.210 nan 0.000 0.426 197 Q N 5.086 124.889 119.800 0.004 0.000 1.985 197 Q HA -0.250 4.089 4.340 -0.002 0.000 0.207 197 Q C 0.857 176.829 176.000 -0.046 0.000 0.996 197 Q CA 2.312 58.099 55.803 -0.028 0.000 0.851 197 Q CB -0.086 28.657 28.738 0.008 0.000 0.921 197 Q HN 0.840 nan 8.270 nan 0.000 0.418 198 N N 0.562 119.240 118.700 -0.037 0.000 2.725 198 N HA -0.184 4.555 4.740 -0.002 0.000 0.249 198 N C -1.444 173.980 175.510 -0.143 0.000 1.103 198 N CA 0.377 53.383 53.050 -0.073 0.000 0.707 198 N CB -0.593 37.864 38.487 -0.049 0.000 1.043 198 N HN 0.252 nan 8.380 nan 0.000 0.553 199 D N 0.930 121.279 120.400 -0.086 0.000 2.493 199 D HA 0.194 4.833 4.640 -0.002 0.000 0.235 199 D C 0.755 177.101 176.300 0.077 0.000 1.117 199 D CA -0.510 53.493 54.000 0.005 0.000 0.930 199 D CB 0.351 41.178 40.800 0.044 0.000 1.010 199 D HN 0.300 nan 8.370 nan 0.000 0.514 200 I N 2.894 123.535 120.570 0.119 0.000 2.761 200 I HA -0.038 4.131 4.170 -0.002 0.000 0.261 200 I C 1.828 178.002 176.117 0.095 0.000 1.198 200 I CA 0.718 62.032 61.300 0.022 0.000 1.482 200 I CB 0.210 38.226 38.000 0.027 0.000 1.100 200 I HN 0.419 nan 8.210 nan 0.000 0.445 201 L N 0.322 121.708 121.223 0.272 0.000 2.093 201 L HA -0.186 4.153 4.340 -0.002 0.000 0.208 201 L C 2.291 179.268 176.870 0.179 0.000 1.085 201 L CA 1.416 56.407 54.840 0.252 0.000 0.755 201 L CB -0.756 41.360 42.059 0.096 0.000 0.904 201 L HN 0.269 nan 8.230 nan 0.000 0.435 202 K N -0.949 119.526 120.400 0.125 0.000 2.366 202 K HA -0.056 4.263 4.320 -0.002 0.000 0.198 202 K C 1.680 178.297 176.600 0.028 0.000 1.044 202 K CA 0.631 56.973 56.287 0.092 0.000 0.973 202 K CB -0.167 32.398 32.500 0.108 0.000 0.767 202 K HN 0.040 nan 8.250 nan 0.000 0.475 203 E N 0.827 120.998 120.200 -0.048 0.000 2.051 203 E HA -0.127 4.223 4.350 -0.002 0.000 0.192 203 E C 1.763 178.415 176.600 0.087 0.000 0.991 203 E CA 1.234 57.581 56.400 -0.087 0.000 0.799 203 E CB -0.400 29.151 29.700 -0.248 0.000 0.748 203 E HN 0.379 nan 8.360 nan 0.000 0.449 204 F N 0.542 120.607 119.950 0.191 0.000 2.146 204 F HA -0.073 4.453 4.527 -0.001 0.000 0.298 204 F C 2.549 178.401 175.800 0.087 0.000 1.096 204 F CA 0.964 59.018 58.000 0.091 0.000 1.275 204 F CB -0.598 38.321 39.000 -0.134 0.000 1.008 204 F HN -0.036 nan 8.300 nan 0.000 0.480 205 M N -0.453 119.285 119.600 0.230 0.000 2.064 205 M HA -0.122 4.357 4.480 -0.002 0.000 0.260 205 M C 1.903 178.273 176.300 0.116 0.000 1.073 205 M CA 2.385 57.759 55.300 0.124 0.000 1.124 205 M CB -0.403 32.239 32.600 0.070 0.000 1.326 205 M HN 0.182 nan 8.290 nan 0.000 0.410 206 V N -5.247 114.727 119.914 0.099 0.000 3.245 206 V HA 0.206 4.325 4.120 -0.002 0.000 0.246 206 V C 1.725 177.833 176.094 0.023 0.000 1.487 206 V CA -0.129 62.209 62.300 0.063 0.000 1.154 206 V CB -0.219 31.640 31.823 0.060 0.000 0.971 206 V HN 0.289 nan 8.190 nan 0.000 0.443 207 R N 0.528 121.016 120.500 -0.020 0.000 2.200 207 R HA 0.082 4.421 4.340 -0.002 0.000 0.208 207 R C 0.530 176.746 176.300 -0.140 0.000 1.033 207 R CA 0.851 56.879 56.100 -0.121 0.000 1.000 207 R CB 0.062 30.196 30.300 -0.277 0.000 0.906 207 R HN 0.647 nan 8.270 nan 0.000 0.462 208 N N 0.148 118.802 118.700 -0.076 0.000 2.776 208 N HA -0.134 4.605 4.740 -0.002 0.000 0.249 208 N C -0.193 175.113 175.510 -0.340 0.000 1.111 208 N CA 1.647 54.605 53.050 -0.153 0.000 0.711 208 N CB -1.617 36.831 38.487 -0.064 0.000 1.065 208 N HN 0.475 nan 8.380 nan 0.000 0.556 209 T N -3.404 110.938 114.554 -0.354 0.000 3.266 209 T HA 0.249 4.599 4.350 -0.002 0.000 0.278 209 T C 0.732 175.225 174.700 -0.345 0.000 1.010 209 T CA -0.693 61.194 62.100 -0.356 0.000 0.909 209 T CB -0.359 68.326 68.868 -0.305 0.000 1.122 209 T HN 0.298 nan 8.240 nan 0.000 0.536 210 Y N 0.003 120.152 120.300 -0.252 0.000 2.279 210 Y HA 0.622 5.171 4.550 -0.001 0.000 0.350 210 Y C 1.015 176.755 175.900 -0.268 0.000 1.288 210 Y CA -1.363 56.520 58.100 -0.361 0.000 1.547 210 Y CB 0.239 38.318 38.460 -0.635 0.000 1.381 210 Y HN -0.011 nan 8.280 nan 0.000 0.630 211 I N -2.364 118.178 120.570 -0.047 0.000 3.664 211 I HA 0.115 4.284 4.170 -0.002 0.000 0.251 211 I C -0.418 175.539 176.117 -0.266 0.000 1.134 211 I CA -0.561 60.513 61.300 -0.377 0.000 1.520 211 I CB 0.010 37.428 38.000 -0.970 0.000 1.638 211 I HN 0.420 nan 8.210 nan 0.000 0.431 212 Y N 2.065 122.491 120.300 0.211 0.000 2.326 212 Y HA 0.387 4.936 4.550 -0.001 0.000 0.324 212 Y C -2.281 173.717 175.900 0.163 0.000 1.291 212 Y CA -2.895 55.315 58.100 0.183 0.000 1.348 212 Y CB -0.833 37.680 38.460 0.089 0.000 1.294 212 Y HN -0.110 nan 8.280 nan 0.000 0.525 213 P HA 0.061 nan 4.420 nan 0.000 0.272 213 P C -2.020 175.053 177.300 -0.378 0.000 1.240 213 P CA -1.071 61.844 63.100 -0.308 0.000 0.791 213 P CB 0.262 31.867 31.700 -0.158 0.000 0.978 214 P HA -0.220 nan 4.420 nan 0.000 0.215 214 P C 1.529 178.625 177.300 -0.341 0.000 1.157 214 P CA 1.785 64.456 63.100 -0.714 0.000 0.874 214 P CB -0.223 30.912 31.700 -0.941 0.000 0.790 215 Q N -0.895 118.720 119.800 -0.308 0.000 2.030 215 Q HA -0.118 4.221 4.340 -0.002 0.000 0.204 215 Q C -0.219 175.615 176.000 -0.277 0.000 0.986 215 Q CA 2.363 58.023 55.803 -0.238 0.000 0.843 215 Q CB -2.486 26.134 28.738 -0.197 0.000 0.904 215 Q HN 0.356 nan 8.270 nan 0.000 0.420 216 P HA -0.026 nan 4.420 nan 0.000 0.217 216 P C 1.383 178.344 177.300 -0.566 0.000 1.150 216 P CA 1.303 63.951 63.100 -0.753 0.000 0.832 216 P CB -0.065 30.793 31.700 -1.403 0.000 0.787 217 S N -0.609 114.934 115.700 -0.262 0.000 2.368 217 S HA -0.097 4.372 4.470 -0.002 0.000 0.225 217 S C 1.908 176.472 174.600 -0.061 0.000 1.030 217 S CA 1.248 59.420 58.200 -0.047 0.000 0.999 217 S CB -0.763 62.546 63.200 0.182 0.000 0.844 217 S HN 0.066 nan 8.310 nan 0.000 0.459 218 M N 1.062 120.620 119.600 -0.070 0.000 2.213 218 M HA -0.060 4.419 4.480 -0.002 0.000 0.263 218 M C 2.153 178.384 176.300 -0.115 0.000 1.062 218 M CA 1.271 56.536 55.300 -0.058 0.000 1.105 218 M CB -1.185 31.387 32.600 -0.046 0.000 1.385 218 M HN 0.317 nan 8.290 nan 0.000 0.417 219 R N 0.901 121.299 120.500 -0.168 0.000 2.075 219 R HA -0.086 4.254 4.340 -0.002 0.000 0.232 219 R C 2.105 178.311 176.300 -0.156 0.000 1.126 219 R CA 1.268 57.271 56.100 -0.162 0.000 0.963 219 R CB -0.244 29.937 30.300 -0.198 0.000 0.858 219 R HN 0.299 nan 8.270 nan 0.000 0.435 220 I N 0.853 121.317 120.570 -0.177 0.000 2.163 220 I HA -0.328 3.841 4.170 -0.002 0.000 0.243 220 I C 2.358 178.363 176.117 -0.186 0.000 1.085 220 I CA 1.371 62.589 61.300 -0.137 0.000 1.347 220 I CB -0.273 37.664 38.000 -0.105 0.000 1.044 220 I HN 0.257 nan 8.210 nan 0.000 0.408 221 I N 0.092 120.515 120.570 -0.245 0.000 2.091 221 I HA -0.355 3.814 4.170 -0.002 0.000 0.239 221 I C 2.737 178.425 176.117 -0.716 0.000 1.061 221 I CA 1.556 62.567 61.300 -0.482 0.000 1.317 221 I CB -0.471 37.316 38.000 -0.354 0.000 1.031 221 I HN 0.180 nan 8.210 nan 0.000 0.401 222 S N 0.231 115.680 115.700 -0.418 0.000 2.372 222 S HA -0.265 4.204 4.470 -0.002 0.000 0.227 222 S C 1.819 176.369 174.600 -0.084 0.000 1.044 222 S CA 1.760 59.849 58.200 -0.185 0.000 1.050 222 S CB -0.382 62.778 63.200 -0.067 0.000 0.901 222 S HN 0.467 nan 8.310 nan 0.000 0.447 223 E N 0.127 120.276 120.200 -0.084 0.000 2.150 223 E HA -0.062 4.287 4.350 -0.002 0.000 0.193 223 E C 1.998 178.616 176.600 0.029 0.000 0.985 223 E CA 0.885 57.279 56.400 -0.012 0.000 0.814 223 E CB -0.238 29.445 29.700 -0.027 0.000 0.752 223 E HN 0.524 nan 8.360 nan 0.000 0.466 224 I N 0.575 121.121 120.570 -0.040 0.000 2.315 224 I HA -0.226 3.943 4.170 -0.002 0.000 0.248 224 I C 1.912 178.163 176.117 0.223 0.000 1.117 224 I CA 0.751 62.075 61.300 0.040 0.000 1.404 224 I CB -0.170 37.815 38.000 -0.026 0.000 1.071 224 I HN -0.004 nan 8.210 nan 0.000 0.419 225 F N 1.217 121.239 119.950 0.121 0.000 2.102 225 F HA -0.192 4.334 4.527 -0.002 0.000 0.298 225 F C 2.651 178.526 175.800 0.125 0.000 1.105 225 F CA 0.949 59.039 58.000 0.150 0.000 1.239 225 F CB -1.576 37.512 39.000 0.147 0.000 0.991 225 F HN 0.031 nan 8.300 nan 0.000 0.474 226 A N -0.897 122.089 122.820 0.276 0.000 1.877 226 A HA -0.241 4.078 4.320 -0.002 0.000 0.216 226 A C 2.198 179.880 177.584 0.162 0.000 1.186 226 A CA 1.572 53.715 52.037 0.177 0.000 0.620 226 A CB -1.478 17.599 19.000 0.128 0.000 0.822 226 A HN 0.420 nan 8.150 nan 0.000 0.443 227 Y N 1.478 121.821 120.300 0.071 0.000 2.109 227 Y HA -0.206 4.343 4.550 -0.002 0.000 0.285 227 Y C 3.033 178.965 175.900 0.054 0.000 1.131 227 Y CA 2.762 60.885 58.100 0.038 0.000 1.121 227 Y CB -0.683 37.778 38.460 0.002 0.000 0.987 227 Y HN 0.438 nan 8.280 nan 0.000 0.495 228 T N -1.918 112.796 114.554 0.267 0.000 2.833 228 T HA -0.185 4.164 4.350 -0.002 0.000 0.269 228 T C 2.098 176.880 174.700 0.136 0.000 1.054 228 T CA 1.539 63.757 62.100 0.197 0.000 1.135 228 T CB -1.106 67.943 68.868 0.302 0.000 0.869 228 T HN 0.507 nan 8.240 nan 0.000 0.466 229 S N 2.881 118.666 115.700 0.140 0.000 2.351 229 S HA -0.024 4.445 4.470 -0.002 0.000 0.220 229 S C 2.513 177.127 174.600 0.024 0.000 1.035 229 S CA 1.094 59.348 58.200 0.091 0.000 1.031 229 S CB -1.279 61.982 63.200 0.102 0.000 0.928 229 S HN 0.797 nan 8.310 nan 0.000 0.433 230 A N 3.010 125.819 122.820 -0.020 0.000 1.865 230 A HA -0.085 4.234 4.320 -0.002 0.000 0.217 230 A C 2.091 179.593 177.584 -0.137 0.000 1.191 230 A CA 1.757 53.747 52.037 -0.078 0.000 0.623 230 A CB -0.661 18.273 19.000 -0.109 0.000 0.826 230 A HN 0.660 nan 8.150 nan 0.000 0.444 231 N N -1.692 116.856 118.700 -0.253 0.000 2.197 231 N HA 0.234 4.973 4.740 -0.002 0.000 0.201 231 N C -0.231 175.190 175.510 -0.148 0.000 1.148 231 N CA 0.273 53.149 53.050 -0.291 0.000 0.883 231 N CB 0.725 38.815 38.487 -0.661 0.000 1.012 231 N HN 0.432 nan 8.380 nan 0.000 0.507 232 M N 1.034 120.605 119.600 -0.049 0.000 2.400 232 M HA 0.258 4.737 4.480 -0.002 0.000 0.241 232 M C -2.115 174.264 176.300 0.131 0.000 1.158 232 M CA -1.329 54.011 55.300 0.067 0.000 0.613 232 M CB 2.312 34.977 32.600 0.109 0.000 1.615 232 M HN -0.258 nan 8.290 nan 0.000 0.371 233 P HA -0.084 nan 4.420 nan 0.000 0.220 233 P C 0.654 178.003 177.300 0.082 0.000 1.148 233 P CA 1.350 64.493 63.100 0.073 0.000 0.803 233 P CB 0.197 31.921 31.700 0.040 0.000 0.782 234 K N -2.384 118.080 120.400 0.108 0.000 2.400 234 K HA -0.001 4.318 4.320 -0.002 0.000 0.194 234 K C 0.827 177.487 176.600 0.100 0.000 1.033 234 K CA -0.028 56.309 56.287 0.083 0.000 1.021 234 K CB -0.022 32.526 32.500 0.080 0.000 0.808 234 K HN 0.193 nan 8.250 nan 0.000 0.505 235 W N 2.688 123.987 121.300 -0.001 0.000 2.266 235 W HA 0.131 4.790 4.660 -0.002 0.000 0.317 235 W C -0.703 175.805 176.519 -0.019 0.000 1.310 235 W CA 0.002 57.346 57.345 -0.002 0.000 1.207 235 W CB 0.473 29.956 29.460 0.039 0.000 1.199 235 W HN 0.012 nan 8.180 nan 0.000 0.544 236 N N 3.318 121.704 118.700 -0.523 0.000 2.469 236 N HA 0.031 4.770 4.740 -0.002 0.000 0.253 236 N C 0.297 175.654 175.510 -0.256 0.000 0.970 236 N CA 0.076 52.929 53.050 -0.328 0.000 0.940 236 N CB 1.557 39.823 38.487 -0.368 0.000 1.128 236 N HN 0.348 nan 8.380 nan 0.000 0.503 237 S N 2.218 117.943 115.700 0.041 0.000 2.575 237 S HA 0.336 4.805 4.470 -0.002 0.000 0.237 237 S C 0.240 174.969 174.600 0.215 0.000 0.975 237 S CA -0.382 57.984 58.200 0.277 0.000 0.960 237 S CB -0.049 63.460 63.200 0.516 0.000 0.822 237 S HN 0.600 nan 8.310 nan 0.000 0.472 238 I N -0.297 120.279 120.570 0.010 0.000 2.785 238 I HA 0.522 4.691 4.170 -0.002 0.000 0.293 238 I C -1.792 174.205 176.117 -0.201 0.000 1.446 238 I CA -0.057 61.198 61.300 -0.076 0.000 1.028 238 I CB 1.938 39.931 38.000 -0.011 0.000 1.349 238 I HN 0.063 nan 8.210 nan 0.000 0.438 239 S N 6.492 122.066 115.700 -0.209 0.000 2.547 239 S HA 0.720 5.189 4.470 -0.002 0.000 0.281 239 S C -1.071 173.393 174.600 -0.227 0.000 1.118 239 S CA -0.459 57.602 58.200 -0.232 0.000 0.947 239 S CB 1.392 64.492 63.200 -0.168 0.000 1.053 239 S HN 0.401 nan 8.310 nan 0.000 0.482 240 I N 3.038 123.378 120.570 -0.383 0.000 2.339 240 I HA 0.435 4.604 4.170 -0.002 0.000 0.290 240 I C -0.068 175.911 176.117 -0.230 0.000 0.994 240 I CA -0.142 60.943 61.300 -0.359 0.000 1.191 240 I CB 1.886 39.439 38.000 -0.745 0.000 1.343 240 I HN 0.384 nan 8.210 nan 0.000 0.458 241 S N 3.201 118.904 115.700 0.005 0.000 2.532 241 S HA 0.621 5.090 4.470 -0.002 0.000 0.301 241 S C 0.742 175.366 174.600 0.040 0.000 1.083 241 S CA -0.586 57.654 58.200 0.068 0.000 1.025 241 S CB 1.898 65.282 63.200 0.308 0.000 1.056 241 S HN 0.856 nan 8.310 nan 0.000 0.494 242 G N -0.223 108.538 108.800 -0.065 0.000 2.833 242 G HA2 0.033 3.992 3.960 -0.002 0.000 0.214 242 G HA3 0.033 3.992 3.960 -0.002 0.000 0.214 242 G C 0.836 175.726 174.900 -0.017 0.000 1.075 242 G CA -0.160 44.991 45.100 0.085 0.000 0.799 242 G HN 0.671 nan 8.290 nan 0.000 0.541 243 Y N 2.148 122.174 120.300 -0.455 0.000 2.014 243 Y HA -0.361 4.188 4.550 -0.002 0.000 0.272 243 Y C 2.724 178.372 175.900 -0.421 0.000 1.164 243 Y CA 2.728 60.436 58.100 -0.654 0.000 1.114 243 Y CB -0.493 36.994 38.460 -1.621 0.000 0.961 243 Y HN 0.405 nan 8.280 nan 0.000 0.489 244 H N -0.761 118.199 119.070 -0.182 0.000 2.319 244 H HA -0.258 4.297 4.556 -0.002 0.000 0.297 244 H C 2.302 177.546 175.328 -0.140 0.000 1.097 244 H CA 2.295 58.275 56.048 -0.114 0.000 1.285 244 H CB -0.551 29.226 29.762 0.025 0.000 1.368 244 H HN 0.386 nan 8.280 nan 0.000 0.495 245 M N 0.200 119.818 119.600 0.029 0.000 2.082 245 M HA -0.296 4.183 4.480 -0.002 0.000 0.258 245 M C 2.535 178.776 176.300 -0.098 0.000 1.069 245 M CA 1.991 57.294 55.300 0.006 0.000 1.102 245 M CB -0.331 32.315 32.600 0.076 0.000 1.336 245 M HN 0.376 nan 8.290 nan 0.000 0.404 246 Q N 0.420 120.118 119.800 -0.171 0.000 2.079 246 Q HA -0.185 4.154 4.340 -0.002 0.000 0.200 246 Q C 1.797 177.614 176.000 -0.304 0.000 0.974 246 Q CA 1.235 56.904 55.803 -0.224 0.000 0.840 246 Q CB 0.094 28.711 28.738 -0.201 0.000 0.898 246 Q HN 0.416 nan 8.270 nan 0.000 0.430 247 E N 0.377 120.360 120.200 -0.361 0.000 2.118 247 E HA -0.189 4.160 4.350 -0.002 0.000 0.195 247 E C 1.732 178.205 176.600 -0.213 0.000 0.992 247 E CA 1.234 57.480 56.400 -0.257 0.000 0.804 247 E CB -0.273 29.294 29.700 -0.221 0.000 0.741 247 E HN 0.497 nan 8.360 nan 0.000 0.458 248 A N -0.164 122.562 122.820 -0.157 0.000 2.209 248 A HA 0.219 4.538 4.320 -0.002 0.000 0.212 248 A C 1.756 179.216 177.584 -0.207 0.000 1.158 248 A CA 1.399 53.358 52.037 -0.130 0.000 0.742 248 A CB -0.023 18.945 19.000 -0.053 0.000 0.790 248 A HN 0.348 nan 8.150 nan 0.000 0.472 249 G N -2.686 105.937 108.800 -0.294 0.000 2.318 249 G HA2 0.235 4.194 3.960 -0.002 0.000 0.172 249 G HA3 0.235 4.194 3.960 -0.002 0.000 0.172 249 G C 0.383 175.148 174.900 -0.225 0.000 1.002 249 G CA -0.042 44.868 45.100 -0.316 0.000 0.697 249 G HN 1.373 nan 8.290 nan 0.000 0.483 250 A N 1.462 124.182 122.820 -0.167 0.000 2.511 250 A HA 0.580 4.899 4.320 -0.002 0.000 0.242 250 A C 1.191 178.689 177.584 -0.144 0.000 1.069 250 A CA 1.335 53.298 52.037 -0.123 0.000 0.763 250 A CB -0.052 18.901 19.000 -0.077 0.000 1.001 250 A HN 1.652 nan 8.150 nan 0.000 0.498 251 T N -0.189 114.287 114.554 -0.130 0.000 2.754 251 T HA 0.469 4.818 4.350 -0.002 0.000 0.286 251 T C 1.456 176.085 174.700 -0.118 0.000 0.997 251 T CA -0.050 61.978 62.100 -0.120 0.000 0.982 251 T CB 0.856 69.663 68.868 -0.102 0.000 1.027 251 T HN 1.219 nan 8.240 nan 0.000 0.529 252 A N 1.079 123.825 122.820 -0.124 0.000 1.972 252 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 252 A C 2.127 179.625 177.584 -0.143 0.000 1.169 252 A CA 1.789 53.735 52.037 -0.150 0.000 0.635 252 A CB -1.070 17.821 19.000 -0.182 0.000 0.810 252 A HN 1.006 nan 8.150 nan 0.000 0.446 253 D N 0.429 120.766 120.400 -0.104 0.000 2.117 253 D HA -0.172 4.467 4.640 -0.002 0.000 0.197 253 D C 1.835 178.123 176.300 -0.021 0.000 0.987 253 D CA 1.488 55.459 54.000 -0.049 0.000 0.829 253 D CB -0.616 40.175 40.800 -0.016 0.000 0.961 253 D HN 0.524 nan 8.370 nan 0.000 0.460 254 I N 1.030 121.518 120.570 -0.138 0.000 2.233 254 I HA -0.186 3.983 4.170 -0.002 0.000 0.243 254 I C 2.843 178.800 176.117 -0.267 0.000 1.093 254 I CA 1.105 62.161 61.300 -0.405 0.000 1.380 254 I CB -0.343 37.434 38.000 -0.372 0.000 1.067 254 I HN 0.046 nan 8.210 nan 0.000 0.413 255 E N 1.293 121.438 120.200 -0.091 0.000 2.038 255 E HA -0.304 4.045 4.350 -0.002 0.000 0.195 255 E C 2.344 179.061 176.600 0.195 0.000 1.000 255 E CA 1.665 58.101 56.400 0.061 0.000 0.803 255 E CB -0.116 29.622 29.700 0.063 0.000 0.750 255 E HN 0.380 nan 8.360 nan 0.000 0.448 256 M N 0.377 120.032 119.600 0.092 0.000 2.065 256 M HA -0.193 4.286 4.480 -0.002 0.000 0.259 256 M C 2.327 178.734 176.300 0.178 0.000 1.069 256 M CA 2.014 57.402 55.300 0.147 0.000 1.110 256 M CB -0.208 32.330 32.600 -0.102 0.000 1.328 256 M HN 0.245 nan 8.290 nan 0.000 0.405 257 A N -0.180 122.667 122.820 0.046 0.000 1.865 257 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 257 A C 1.712 179.400 177.584 0.173 0.000 1.191 257 A CA 1.775 53.844 52.037 0.053 0.000 0.623 257 A CB -1.318 17.641 19.000 -0.068 0.000 0.826 257 A HN 0.689 nan 8.150 nan 0.000 0.444 258 Y N 0.586 120.964 120.300 0.130 0.000 2.457 258 Y HA -0.026 4.523 4.550 -0.002 0.000 0.292 258 Y C 2.792 178.774 175.900 0.137 0.000 1.125 258 Y CA 0.927 59.087 58.100 0.099 0.000 1.254 258 Y CB -1.467 37.023 38.460 0.050 0.000 1.012 258 Y HN 0.281 nan 8.280 nan 0.000 0.555 259 T N 0.351 115.105 114.554 0.333 0.000 2.809 259 T HA -0.061 4.288 4.350 -0.002 0.000 0.260 259 T C 2.126 177.038 174.700 0.353 0.000 1.039 259 T CA 1.020 63.298 62.100 0.297 0.000 1.141 259 T CB -0.503 68.537 68.868 0.287 0.000 0.869 259 T HN 0.200 nan 8.240 nan 0.000 0.437 260 L N 0.959 122.428 121.223 0.410 0.000 2.141 260 L HA -0.002 4.337 4.340 -0.002 0.000 0.209 260 L C 3.032 180.179 176.870 0.461 0.000 1.094 260 L CA 1.039 56.178 54.840 0.498 0.000 0.763 260 L CB -0.711 41.651 42.059 0.504 0.000 0.908 260 L HN 0.230 nan 8.230 nan 0.000 0.437 261 A N -0.041 122.967 122.820 0.314 0.000 1.930 261 A HA -0.191 4.128 4.320 -0.002 0.000 0.217 261 A C 1.888 179.553 177.584 0.135 0.000 1.175 261 A CA 1.673 53.840 52.037 0.217 0.000 0.627 261 A CB -0.403 18.700 19.000 0.173 0.000 0.815 261 A HN 0.323 nan 8.150 nan 0.000 0.443 262 D N 0.111 120.558 120.400 0.078 0.000 2.087 262 D HA -0.119 4.520 4.640 -0.002 0.000 0.192 262 D C 2.140 178.345 176.300 -0.159 0.000 0.993 262 D CA 1.660 55.561 54.000 -0.165 0.000 0.828 262 D CB -1.030 39.709 40.800 -0.101 0.000 0.968 262 D HN 0.387 nan 8.370 nan 0.000 0.448 263 G N 0.915 109.839 108.800 0.206 0.000 2.556 263 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.220 263 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.220 263 G C 1.895 177.138 174.900 0.571 0.000 1.156 263 G CA 1.459 46.850 45.100 0.484 0.000 0.766 263 G HN 0.277 nan 8.290 nan 0.000 0.583 264 V N 0.984 121.186 119.914 0.481 0.000 2.287 264 V HA -0.190 3.929 4.120 -0.002 0.000 0.248 264 V C 2.556 178.803 176.094 0.254 0.000 1.053 264 V CA 2.430 64.948 62.300 0.364 0.000 1.027 264 V CB -0.560 31.465 31.823 0.337 0.000 0.646 264 V HN 0.312 nan 8.190 nan 0.000 0.447 265 D N -1.347 119.118 120.400 0.108 0.000 2.144 265 D HA -0.163 4.476 4.640 -0.002 0.000 0.199 265 D C 2.013 178.355 176.300 0.069 0.000 0.984 265 D CA 1.245 55.250 54.000 0.008 0.000 0.834 265 D CB -0.184 40.517 40.800 -0.165 0.000 0.955 265 D HN 0.541 nan 8.370 nan 0.000 0.465 266 Y N 0.146 120.578 120.300 0.220 0.000 2.314 266 Y HA 0.045 4.594 4.550 -0.002 0.000 0.293 266 Y C 2.170 178.140 175.900 0.117 0.000 1.129 266 Y CA 0.161 58.434 58.100 0.287 0.000 1.201 266 Y CB -0.543 38.163 38.460 0.410 0.000 0.999 266 Y HN 0.061 nan 8.280 nan 0.000 0.541 267 I N -0.401 120.279 120.570 0.184 0.000 2.353 267 I HA -0.258 3.911 4.170 -0.002 0.000 0.248 267 I C 2.287 178.257 176.117 -0.246 0.000 1.119 267 I CA 1.157 62.331 61.300 -0.211 0.000 1.417 267 I CB -0.282 37.495 38.000 -0.372 0.000 1.078 267 I HN 0.084 nan 8.210 nan 0.000 0.421 268 R N 0.763 121.279 120.500 0.026 0.000 2.092 268 R HA -0.057 4.282 4.340 -0.002 0.000 0.231 268 R C 2.421 178.742 176.300 0.035 0.000 1.119 268 R CA 1.306 57.467 56.100 0.102 0.000 0.970 268 R CB -0.430 29.969 30.300 0.164 0.000 0.864 268 R HN 0.331 nan 8.270 nan 0.000 0.440 269 A N 0.838 123.700 122.820 0.070 0.000 1.969 269 A HA -0.058 4.261 4.320 -0.002 0.000 0.218 269 A C 2.315 179.969 177.584 0.116 0.000 1.169 269 A CA 1.647 53.756 52.037 0.121 0.000 0.635 269 A CB -0.796 18.352 19.000 0.247 0.000 0.810 269 A HN 0.452 nan 8.150 nan 0.000 0.445 270 G N -0.810 107.896 108.800 -0.157 0.000 2.430 270 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.216 270 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.216 270 G C 1.388 176.144 174.900 -0.239 0.000 1.146 270 G CA 0.728 45.571 45.100 -0.429 0.000 0.793 270 G HN 0.616 nan 8.290 nan 0.000 0.537 271 E N 0.822 120.914 120.200 -0.179 0.000 2.152 271 E HA -0.111 4.238 4.350 -0.002 0.000 0.192 271 E C 2.803 179.399 176.600 -0.006 0.000 0.983 271 E CA 1.092 57.458 56.400 -0.057 0.000 0.818 271 E CB -0.029 29.683 29.700 0.020 0.000 0.758 271 E HN 0.559 nan 8.360 nan 0.000 0.467 272 S N 0.582 116.284 115.700 0.003 0.000 2.453 272 S HA -0.079 4.390 4.470 -0.002 0.000 0.231 272 S C 1.803 176.416 174.600 0.021 0.000 1.005 272 S CA 0.965 59.174 58.200 0.016 0.000 0.949 272 S CB -0.045 63.166 63.200 0.018 0.000 0.774 272 S HN 0.148 nan 8.310 nan 0.000 0.510 273 V N -2.898 117.035 119.914 0.033 0.000 3.121 273 V HA 0.783 4.902 4.120 -0.002 0.000 0.344 273 V C 1.274 177.391 176.094 0.039 0.000 1.390 273 V CA -0.065 62.263 62.300 0.047 0.000 1.177 273 V CB -0.788 31.087 31.823 0.087 0.000 1.163 273 V HN 0.664 nan 8.190 nan 0.000 0.484 274 G N 0.999 109.812 108.800 0.022 0.000 2.234 274 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.235 274 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.235 274 G C -0.024 174.886 174.900 0.015 0.000 0.997 274 G CA 0.092 45.205 45.100 0.021 0.000 0.623 274 G HN 0.592 nan 8.290 nan 0.000 0.514 275 L N 2.084 123.307 121.223 0.001 0.000 2.367 275 L HA 0.405 4.744 4.340 -0.002 0.000 0.275 275 L C 0.940 177.801 176.870 -0.016 0.000 1.129 275 L CA -0.177 54.663 54.840 0.001 0.000 0.839 275 L CB 0.588 42.644 42.059 -0.006 0.000 1.133 275 L HN 0.597 nan 8.230 nan 0.000 0.453 276 N N 1.533 120.245 118.700 0.020 0.000 2.448 276 N HA 0.193 4.932 4.740 -0.002 0.000 0.274 276 N C 0.778 176.306 175.510 0.028 0.000 1.239 276 N CA -0.871 52.194 53.050 0.025 0.000 0.982 276 N CB 1.145 39.659 38.487 0.044 0.000 1.199 276 N HN 0.294 nan 8.380 nan 0.000 0.576 277 V N 0.100 120.026 119.914 0.020 0.000 2.469 277 V HA -0.208 3.911 4.120 -0.002 0.000 0.251 277 V C 0.846 176.976 176.094 0.060 0.000 1.064 277 V CA 1.973 64.271 62.300 -0.003 0.000 1.066 277 V CB -0.881 30.905 31.823 -0.062 0.000 0.667 277 V HN 0.698 nan 8.190 nan 0.000 0.461 278 D N -0.403 120.035 120.400 0.064 0.000 2.363 278 D HA -0.076 4.563 4.640 -0.002 0.000 0.220 278 D C 1.827 178.165 176.300 0.063 0.000 0.994 278 D CA 0.819 54.858 54.000 0.065 0.000 0.890 278 D CB 0.051 40.887 40.800 0.061 0.000 0.906 278 D HN 0.721 nan 8.370 nan 0.000 0.530 279 Q N -1.451 118.396 119.800 0.077 0.000 2.247 279 Q HA 0.175 4.514 4.340 -0.002 0.000 0.211 279 Q C 0.937 176.993 176.000 0.094 0.000 0.861 279 Q CA -0.092 55.753 55.803 0.070 0.000 0.949 279 Q CB 0.633 29.410 28.738 0.065 0.000 1.115 279 Q HN 0.150 nan 8.270 nan 0.000 0.507 280 F N 0.366 120.270 119.950 -0.076 0.000 2.495 280 F HA 0.406 4.932 4.527 -0.001 0.000 0.272 280 F C 1.983 177.734 175.800 -0.081 0.000 0.919 280 F CA 0.653 58.575 58.000 -0.129 0.000 1.178 280 F CB -0.124 38.767 39.000 -0.182 0.000 1.030 280 F HN -0.028 nan 8.300 nan 0.000 0.777 281 A N 1.130 123.994 122.820 0.073 0.000 1.933 281 A HA -0.015 4.304 4.320 -0.002 0.000 0.218 281 A C -0.598 177.018 177.584 0.054 0.000 1.175 281 A CA 1.721 53.809 52.037 0.085 0.000 0.628 281 A CB -2.139 16.952 19.000 0.152 0.000 0.814 281 A HN 0.349 nan 8.150 nan 0.000 0.444 282 P HA -0.170 nan 4.420 nan 0.000 0.218 282 P C 1.096 178.380 177.300 -0.027 0.000 1.148 282 P CA 1.312 64.426 63.100 0.024 0.000 0.822 282 P CB -0.153 31.564 31.700 0.029 0.000 0.784 283 R N -1.182 119.249 120.500 -0.114 0.000 2.236 283 R HA 0.097 4.436 4.340 -0.002 0.000 0.208 283 R C 0.893 177.064 176.300 -0.216 0.000 1.036 283 R CA 0.041 56.039 56.100 -0.171 0.000 1.001 283 R CB -0.810 29.344 30.300 -0.244 0.000 0.896 283 R HN 0.221 nan 8.270 nan 0.000 0.464 284 L N 1.978 123.068 121.223 -0.221 0.000 2.514 284 L HA -0.026 4.313 4.340 -0.002 0.000 0.280 284 L C 0.582 177.388 176.870 -0.107 0.000 1.223 284 L CA 0.261 54.982 54.840 -0.199 0.000 0.864 284 L CB 0.365 42.382 42.059 -0.070 0.000 1.118 284 L HN 0.171 nan 8.230 nan 0.000 0.494 285 S N 1.949 117.540 115.700 -0.182 0.000 2.564 285 S HA 0.764 5.233 4.470 -0.002 0.000 0.274 285 S C -1.017 173.436 174.600 -0.245 0.000 1.124 285 S CA -0.789 57.350 58.200 -0.102 0.000 0.869 285 S CB 1.746 64.880 63.200 -0.111 0.000 1.105 285 S HN 0.312 nan 8.310 nan 0.000 0.472 286 F N 1.119 120.929 119.950 -0.234 0.000 2.654 286 F HA 0.841 5.367 4.527 -0.002 0.000 0.334 286 F C -0.819 174.863 175.800 -0.196 0.000 1.078 286 F CA -1.037 56.764 58.000 -0.332 0.000 0.986 286 F CB 1.960 40.604 39.000 -0.593 0.000 1.362 286 F HN 0.677 nan 8.300 nan 0.000 0.498 287 F N 1.664 121.416 119.950 -0.329 0.000 2.730 287 F HA 0.397 4.923 4.527 -0.002 0.000 0.335 287 F C -1.991 173.679 175.800 -0.216 0.000 1.212 287 F CA -1.712 56.178 58.000 -0.183 0.000 1.016 287 F CB 0.621 39.606 39.000 -0.025 0.000 1.290 287 F HN 0.415 nan 8.300 nan 0.000 0.495 288 W N 4.266 125.740 121.300 0.290 0.000 2.449 288 W HA 0.669 5.328 4.660 -0.002 0.000 0.331 288 W C 0.554 177.111 176.519 0.064 0.000 1.119 288 W CA -1.271 56.122 57.345 0.080 0.000 1.240 288 W CB 1.870 31.372 29.460 0.069 0.000 1.251 288 W HN 0.893 nan 8.180 nan 0.000 0.576 289 G N 2.801 111.790 108.800 0.314 0.000 2.377 289 G HA2 0.620 4.579 3.960 -0.002 0.000 0.299 289 G HA3 0.620 4.579 3.960 -0.002 0.000 0.299 289 G C -1.129 173.874 174.900 0.172 0.000 1.150 289 G CA -0.606 44.646 45.100 0.253 0.000 0.847 289 G HN 0.312 nan 8.290 nan 0.000 0.501 290 I N 2.258 122.930 120.570 0.170 0.000 2.439 290 I HA 0.388 4.557 4.170 -0.002 0.000 0.285 290 I C 0.839 177.007 176.117 0.087 0.000 1.021 290 I CA -0.585 60.764 61.300 0.081 0.000 1.091 290 I CB 0.899 38.932 38.000 0.056 0.000 1.242 290 I HN 0.575 nan 8.210 nan 0.000 0.439 291 G N 5.064 113.897 108.800 0.055 0.000 2.583 291 G HA2 0.426 4.385 3.960 -0.002 0.000 0.280 291 G HA3 0.426 4.385 3.960 -0.002 0.000 0.280 291 G C 0.805 175.761 174.900 0.093 0.000 1.376 291 G CA -0.432 44.730 45.100 0.104 0.000 1.043 291 G HN 0.371 nan 8.290 nan 0.000 0.538 292 M N 0.169 119.848 119.600 0.132 0.000 2.229 292 M HA -0.003 4.476 4.480 -0.002 0.000 0.264 292 M C 1.114 177.492 176.300 0.130 0.000 1.063 292 M CA 0.500 55.877 55.300 0.128 0.000 1.114 292 M CB -1.072 31.616 32.600 0.146 0.000 1.387 292 M HN 0.489 nan 8.290 nan 0.000 0.420 293 N N 1.304 120.081 118.700 0.129 0.000 2.508 293 N HA -0.033 4.706 4.740 -0.002 0.000 0.253 293 N C 0.563 176.108 175.510 0.058 0.000 1.145 293 N CA -0.113 53.035 53.050 0.163 0.000 0.973 293 N CB -0.003 38.604 38.487 0.200 0.000 1.305 293 N HN 0.058 nan 8.380 nan 0.000 0.506 294 F N 4.216 124.095 119.950 -0.119 0.000 2.024 294 F HA -0.300 4.226 4.527 -0.002 0.000 0.296 294 F C 1.149 176.715 175.800 -0.391 0.000 1.137 294 F CA 1.937 59.743 58.000 -0.323 0.000 1.200 294 F CB -0.403 38.256 39.000 -0.568 0.000 0.954 294 F HN 0.412 nan 8.300 nan 0.000 0.497 295 F N -0.417 119.477 119.950 -0.093 0.000 2.126 295 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 295 F C 2.424 177.963 175.800 -0.435 0.000 1.096 295 F CA 1.675 59.452 58.000 -0.372 0.000 1.255 295 F CB -1.142 37.677 39.000 -0.302 0.000 0.997 295 F HN 0.097 nan 8.300 nan 0.000 0.479 296 M N 0.247 119.775 119.600 -0.119 0.000 2.117 296 M HA -0.160 4.319 4.480 -0.002 0.000 0.262 296 M C 2.069 178.219 176.300 -0.251 0.000 1.065 296 M CA 1.666 56.859 55.300 -0.179 0.000 1.114 296 M CB -0.439 32.099 32.600 -0.104 0.000 1.361 296 M HN -0.030 nan 8.290 nan 0.000 0.408 297 E N -0.792 119.239 120.200 -0.282 0.000 2.072 297 E HA -0.126 4.223 4.350 -0.002 0.000 0.191 297 E C 2.206 178.569 176.600 -0.395 0.000 0.985 297 E CA 1.416 57.624 56.400 -0.320 0.000 0.801 297 E CB -0.778 28.767 29.700 -0.257 0.000 0.750 297 E HN 0.386 nan 8.360 nan 0.000 0.452 298 V N 1.914 121.521 119.914 -0.512 0.000 2.255 298 V HA -0.276 3.843 4.120 -0.002 0.000 0.247 298 V C 2.499 178.397 176.094 -0.328 0.000 1.051 298 V CA 2.044 64.071 62.300 -0.455 0.000 1.018 298 V CB -0.900 30.559 31.823 -0.607 0.000 0.641 298 V HN 0.270 nan 8.190 nan 0.000 0.445 299 A N -0.467 122.162 122.820 -0.317 0.000 1.933 299 A HA -0.260 4.059 4.320 -0.002 0.000 0.218 299 A C 2.311 179.725 177.584 -0.283 0.000 1.175 299 A CA 2.121 54.001 52.037 -0.262 0.000 0.628 299 A CB -0.510 18.336 19.000 -0.256 0.000 0.814 299 A HN 0.553 nan 8.150 nan 0.000 0.444 300 K N -0.741 119.461 120.400 -0.329 0.000 2.020 300 K HA -0.180 4.139 4.320 -0.002 0.000 0.212 300 K C 1.552 177.855 176.600 -0.495 0.000 1.050 300 K CA 1.763 57.805 56.287 -0.409 0.000 0.929 300 K CB -0.287 31.925 32.500 -0.480 0.000 0.714 300 K HN 0.308 nan 8.250 nan 0.000 0.443 301 L N 0.939 121.876 121.223 -0.477 0.000 2.291 301 L HA -0.026 4.313 4.340 -0.002 0.000 0.214 301 L C 2.191 178.924 176.870 -0.229 0.000 1.120 301 L CA 1.367 55.963 54.840 -0.406 0.000 0.799 301 L CB -0.337 41.559 42.059 -0.272 0.000 0.925 301 L HN 0.146 nan 8.230 nan 0.000 0.446 302 R N -1.104 119.259 120.500 -0.229 0.000 2.080 302 R HA 0.110 4.449 4.340 -0.002 0.000 0.222 302 R C 2.283 178.425 176.300 -0.263 0.000 1.107 302 R CA 0.955 56.930 56.100 -0.208 0.000 0.980 302 R CB -0.407 29.772 30.300 -0.203 0.000 0.879 302 R HN 0.281 nan 8.270 nan 0.000 0.439 303 A N 1.386 124.036 122.820 -0.283 0.000 1.930 303 A HA -0.024 4.295 4.320 -0.002 0.000 0.217 303 A C 2.332 179.808 177.584 -0.180 0.000 1.175 303 A CA 1.479 53.350 52.037 -0.277 0.000 0.627 303 A CB -0.510 18.345 19.000 -0.242 0.000 0.815 303 A HN 0.355 nan 8.150 nan 0.000 0.443 304 A N 0.094 122.809 122.820 -0.175 0.000 1.902 304 A HA -0.170 4.150 4.320 -0.002 0.000 0.217 304 A C 2.239 179.839 177.584 0.027 0.000 1.181 304 A CA 1.501 53.500 52.037 -0.064 0.000 0.623 304 A CB -0.470 18.431 19.000 -0.164 0.000 0.818 304 A HN 0.547 nan 8.150 nan 0.000 0.443 305 R N -1.020 119.474 120.500 -0.010 0.000 2.096 305 R HA -0.064 4.275 4.340 -0.002 0.000 0.235 305 R C 2.265 178.610 176.300 0.076 0.000 1.127 305 R CA 1.647 57.774 56.100 0.046 0.000 0.968 305 R CB -0.404 29.911 30.300 0.025 0.000 0.861 305 R HN 0.552 nan 8.270 nan 0.000 0.440 306 M N 0.396 119.973 119.600 -0.038 0.000 2.099 306 M HA -0.152 4.327 4.480 -0.002 0.000 0.262 306 M C 2.276 178.593 176.300 0.030 0.000 1.067 306 M CA 1.649 56.914 55.300 -0.059 0.000 1.124 306 M CB -0.271 32.179 32.600 -0.250 0.000 1.353 306 M HN 0.154 nan 8.290 nan 0.000 0.410 307 L N -1.299 119.973 121.223 0.081 0.000 2.056 307 L HA -0.216 4.124 4.340 -0.002 0.000 0.207 307 L C 2.449 179.506 176.870 0.312 0.000 1.078 307 L CA 1.210 56.174 54.840 0.206 0.000 0.749 307 L CB -0.732 41.487 42.059 0.266 0.000 0.901 307 L HN 0.590 nan 8.230 nan 0.000 0.433 308 W N 1.271 122.624 121.300 0.088 0.000 2.335 308 W HA -0.285 4.374 4.660 -0.001 0.000 0.311 308 W C 2.465 179.060 176.519 0.125 0.000 1.213 308 W CA 1.610 59.003 57.345 0.081 0.000 1.274 308 W CB 0.046 29.463 29.460 -0.072 0.000 1.148 308 W HN 0.181 nan 8.180 nan 0.000 0.498 309 A N 0.644 123.543 122.820 0.132 0.000 1.883 309 A HA -0.282 4.037 4.320 -0.002 0.000 0.217 309 A C 2.025 179.629 177.584 0.035 0.000 1.186 309 A CA 2.166 54.249 52.037 0.077 0.000 0.624 309 A CB -1.098 18.034 19.000 0.219 0.000 0.822 309 A HN 0.367 nan 8.150 nan 0.000 0.444 310 K N -0.405 120.032 120.400 0.061 0.000 2.097 310 K HA -0.047 4.272 4.320 -0.002 0.000 0.205 310 K C 1.873 178.576 176.600 0.173 0.000 1.050 310 K CA 1.230 57.573 56.287 0.094 0.000 0.938 310 K CB -0.276 32.241 32.500 0.027 0.000 0.718 310 K HN 0.506 nan 8.250 nan 0.000 0.442 311 L N 0.447 121.768 121.223 0.163 0.000 2.056 311 L HA -0.139 4.200 4.340 -0.002 0.000 0.207 311 L C 2.269 179.189 176.870 0.083 0.000 1.078 311 L CA 0.646 55.582 54.840 0.160 0.000 0.749 311 L CB -0.270 41.896 42.059 0.177 0.000 0.901 311 L HN -0.020 nan 8.230 nan 0.000 0.433 312 V N -1.062 118.745 119.914 -0.177 0.000 2.626 312 V HA -0.265 3.854 4.120 -0.002 0.000 0.252 312 V C 2.272 178.475 176.094 0.183 0.000 1.067 312 V CA 1.628 63.860 62.300 -0.113 0.000 1.081 312 V CB -0.861 30.677 31.823 -0.475 0.000 0.686 312 V HN 0.475 nan 8.190 nan 0.000 0.468 313 H N 0.220 119.325 119.070 0.057 0.000 2.546 313 H HA -0.032 4.523 4.556 -0.002 0.000 0.277 313 H C 2.201 177.573 175.328 0.073 0.000 1.004 313 H CA 1.098 57.190 56.048 0.073 0.000 1.231 313 H CB 0.012 29.800 29.762 0.044 0.000 1.382 313 H HN 0.468 nan 8.280 nan 0.000 0.580 314 Q N -1.124 118.712 119.800 0.060 0.000 2.369 314 Q HA -0.051 4.288 4.340 -0.002 0.000 0.206 314 Q C 0.847 176.705 176.000 -0.237 0.000 0.963 314 Q CA 0.866 56.601 55.803 -0.112 0.000 0.894 314 Q CB 0.145 28.825 28.738 -0.096 0.000 0.965 314 Q HN 0.503 nan 8.270 nan 0.000 0.475 315 F N -0.598 119.319 119.950 -0.054 0.000 2.664 315 F HA 0.186 4.712 4.527 -0.001 0.000 0.296 315 F C 1.370 177.141 175.800 -0.048 0.000 1.125 315 F CA 0.589 58.565 58.000 -0.040 0.000 1.444 315 F CB 0.272 39.259 39.000 -0.022 0.000 1.114 315 F HN 0.034 nan 8.300 nan 0.000 0.576 316 G N 1.979 110.826 108.800 0.078 0.000 2.385 316 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.294 316 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.294 316 G C -2.292 172.655 174.900 0.079 0.000 1.070 316 G CA -0.638 44.469 45.100 0.013 0.000 1.172 316 G HN 0.143 nan 8.290 nan 0.000 0.516 317 P HA 0.264 nan 4.420 nan 0.000 0.270 317 P C 0.493 177.854 177.300 0.101 0.000 1.223 317 P CA -0.093 63.073 63.100 0.110 0.000 0.785 317 P CB 0.945 32.716 31.700 0.120 0.000 0.923 318 K N -0.241 120.210 120.400 0.086 0.000 2.399 318 K HA 0.127 4.446 4.320 -0.002 0.000 0.196 318 K C 0.558 177.207 176.600 0.082 0.000 1.117 318 K CA 0.404 56.737 56.287 0.077 0.000 0.965 318 K CB -0.391 32.145 32.500 0.060 0.000 0.983 318 K HN 0.358 nan 8.250 nan 0.000 0.531 319 N N 2.665 121.417 118.700 0.087 0.000 2.419 319 N HA 0.104 4.843 4.740 -0.002 0.000 0.264 319 N C -1.909 173.674 175.510 0.122 0.000 1.031 319 N CA -1.834 51.272 53.050 0.094 0.000 0.951 319 N CB 1.563 40.099 38.487 0.083 0.000 1.101 319 N HN -0.145 nan 8.380 nan 0.000 0.488 320 P HA -0.120 nan 4.420 nan 0.000 0.219 320 P C 0.960 178.427 177.300 0.279 0.000 1.150 320 P CA 0.947 64.172 63.100 0.210 0.000 0.814 320 P CB 0.470 32.284 31.700 0.190 0.000 0.787 321 K N 0.263 120.779 120.400 0.193 0.000 2.360 321 K HA -0.062 4.257 4.320 -0.002 0.000 0.201 321 K C 1.849 178.505 176.600 0.094 0.000 1.046 321 K CA 0.953 57.313 56.287 0.123 0.000 0.940 321 K CB -0.122 32.443 32.500 0.107 0.000 0.748 321 K HN 0.054 nan 8.250 nan 0.000 0.465 322 S N 0.775 116.540 115.700 0.109 0.000 2.383 322 S HA -0.069 4.400 4.470 -0.002 0.000 0.227 322 S C 1.623 176.283 174.600 0.099 0.000 1.026 322 S CA 1.060 59.323 58.200 0.105 0.000 0.981 322 S CB -0.016 63.226 63.200 0.071 0.000 0.818 322 S HN 0.337 nan 8.310 nan 0.000 0.472 323 M N 1.092 120.745 119.600 0.088 0.000 2.561 323 M HA 0.152 4.632 4.480 -0.002 0.000 0.238 323 M C 0.560 176.893 176.300 0.055 0.000 1.131 323 M CA 0.078 55.409 55.300 0.052 0.000 1.046 323 M CB 0.222 32.945 32.600 0.204 0.000 1.532 323 M HN 0.054 nan 8.290 nan 0.000 0.497 324 S N 1.779 117.368 115.700 -0.184 0.000 2.422 324 S HA 0.360 4.829 4.470 -0.002 0.000 0.308 324 S C -0.722 173.780 174.600 -0.163 0.000 1.097 324 S CA -0.877 56.896 58.200 -0.712 0.000 1.099 324 S CB 0.461 63.023 63.200 -1.063 0.000 0.976 324 S HN 0.271 nan 8.310 nan 0.000 0.471 325 L N 6.378 127.540 121.223 -0.101 0.000 2.315 325 L HA 0.591 4.930 4.340 -0.002 0.000 0.283 325 L C -0.287 176.487 176.870 -0.161 0.000 1.089 325 L CA 0.265 54.981 54.840 -0.207 0.000 0.833 325 L CB 0.327 42.111 42.059 -0.459 0.000 1.170 325 L HN 0.640 nan 8.230 nan 0.000 0.442 326 R N 3.137 123.595 120.500 -0.071 0.000 2.295 326 R HA 0.635 4.974 4.340 -0.002 0.000 0.324 326 R C -0.468 175.880 176.300 0.079 0.000 0.968 326 R CA -0.257 55.846 56.100 0.006 0.000 0.837 326 R CB 1.588 31.904 30.300 0.026 0.000 1.133 326 R HN 0.815 nan 8.270 nan 0.000 0.450 327 T N 1.021 115.649 114.554 0.124 0.000 2.907 327 T HA 0.275 4.624 4.350 -0.002 0.000 0.292 327 T C -1.452 173.377 174.700 0.216 0.000 1.043 327 T CA -0.666 61.522 62.100 0.147 0.000 1.003 327 T CB 0.836 69.796 68.868 0.152 0.000 1.084 327 T HN 0.604 nan 8.240 nan 0.000 0.483 328 H N 0.972 120.099 119.070 0.095 0.000 2.483 328 H HA 0.767 5.322 4.556 -0.002 0.000 0.338 328 H C -0.536 174.955 175.328 0.272 0.000 1.152 328 H CA -0.001 56.109 56.048 0.104 0.000 1.264 328 H CB 1.131 30.835 29.762 -0.097 0.000 1.510 328 H HN 0.467 nan 8.280 nan 0.000 0.530 329 S N 2.170 117.738 115.700 -0.221 0.000 2.599 329 S HA 0.362 4.832 4.470 -0.002 0.000 0.287 329 S C -1.383 173.156 174.600 -0.102 0.000 1.105 329 S CA -0.844 57.384 58.200 0.047 0.000 0.899 329 S CB 1.901 65.173 63.200 0.120 0.000 1.100 329 S HN 0.715 nan 8.310 nan 0.000 0.482 330 Q N 1.212 121.163 119.800 0.251 0.000 2.289 330 Q HA 0.488 4.827 4.340 -0.002 0.000 0.270 330 Q C -0.710 175.482 176.000 0.321 0.000 1.038 330 Q CA -0.718 55.253 55.803 0.279 0.000 0.812 330 Q CB 1.470 30.385 28.738 0.295 0.000 1.300 330 Q HN 0.767 nan 8.270 nan 0.000 0.427 331 T N 0.506 115.212 114.554 0.254 0.000 2.900 331 T HA 0.163 4.512 4.350 -0.002 0.000 0.307 331 T C 0.466 175.358 174.700 0.320 0.000 1.065 331 T CA -0.350 61.882 62.100 0.221 0.000 1.105 331 T CB 1.222 70.171 68.868 0.135 0.000 0.979 331 T HN 0.534 nan 8.240 nan 0.000 0.544 332 S N 1.284 117.139 115.700 0.258 0.000 2.510 332 S HA 0.347 4.816 4.470 -0.002 0.000 0.279 332 S C 1.639 176.405 174.600 0.277 0.000 1.284 332 S CA -0.317 58.050 58.200 0.277 0.000 1.059 332 S CB 0.094 63.422 63.200 0.213 0.000 0.901 332 S HN 0.982 nan 8.310 nan 0.000 0.491 333 G N 3.919 112.921 108.800 0.337 0.000 2.421 333 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.217 333 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.217 333 G C 0.991 176.013 174.900 0.203 0.000 1.143 333 G CA 0.452 45.716 45.100 0.273 0.000 0.784 333 G HN 0.913 nan 8.290 nan 0.000 0.541 334 W N 2.426 123.765 121.300 0.066 0.000 2.338 334 W HA -0.210 4.450 4.660 -0.001 0.000 0.304 334 W C 2.848 179.389 176.519 0.036 0.000 1.212 334 W CA 2.510 59.876 57.345 0.035 0.000 1.264 334 W CB -0.329 29.130 29.460 -0.001 0.000 1.142 334 W HN 0.236 nan 8.180 nan 0.000 0.512 335 S N 0.307 115.931 115.700 -0.128 0.000 2.447 335 S HA -0.088 4.381 4.470 -0.002 0.000 0.233 335 S C 0.885 175.361 174.600 -0.206 0.000 1.006 335 S CA 0.596 58.646 58.200 -0.249 0.000 0.957 335 S CB -0.792 62.443 63.200 0.059 0.000 0.773 335 S HN 0.183 nan 8.310 nan 0.000 0.507 336 L N 2.527 123.679 121.223 -0.118 0.000 2.417 336 L HA 0.369 4.708 4.340 -0.002 0.000 0.268 336 L C 0.833 177.623 176.870 -0.133 0.000 1.158 336 L CA -0.440 54.347 54.840 -0.088 0.000 0.819 336 L CB 1.003 43.047 42.059 -0.025 0.000 1.112 336 L HN 0.292 nan 8.230 nan 0.000 0.458 337 T N -1.400 113.092 114.554 -0.103 0.000 2.952 337 T HA 0.582 4.931 4.350 -0.002 0.000 0.286 337 T C 0.548 175.214 174.700 -0.056 0.000 1.024 337 T CA -0.241 61.802 62.100 -0.095 0.000 1.029 337 T CB 1.962 70.785 68.868 -0.075 0.000 1.094 337 T HN 0.602 nan 8.240 nan 0.000 0.515 338 A N 0.275 123.069 122.820 -0.043 0.000 2.169 338 A HA 0.329 4.648 4.320 -0.002 0.000 0.210 338 A C 0.868 178.446 177.584 -0.009 0.000 1.168 338 A CA 0.099 52.123 52.037 -0.022 0.000 0.813 338 A CB -0.254 18.737 19.000 -0.015 0.000 0.861 338 A HN 0.751 nan 8.150 nan 0.000 0.481 339 Q N -0.279 119.517 119.800 -0.008 0.000 2.226 339 Q HA 0.436 4.775 4.340 -0.002 0.000 0.256 339 Q C -0.681 175.334 176.000 0.024 0.000 0.962 339 Q CA -0.423 55.387 55.803 0.011 0.000 0.887 339 Q CB 1.115 29.860 28.738 0.012 0.000 1.282 339 Q HN 0.284 nan 8.270 nan 0.000 0.449 340 D N 0.566 120.996 120.400 0.051 0.000 2.971 340 D HA -0.153 4.486 4.640 -0.002 0.000 0.212 340 D C 0.433 176.782 176.300 0.082 0.000 1.243 340 D CA 0.768 54.818 54.000 0.083 0.000 0.781 340 D CB -0.306 40.542 40.800 0.080 0.000 0.894 340 D HN 0.435 nan 8.370 nan 0.000 0.392 341 V N 0.225 120.184 119.914 0.074 0.000 3.217 341 V HA -0.078 4.041 4.120 -0.002 0.000 0.264 341 V C 1.692 177.722 176.094 -0.108 0.000 1.135 341 V CA 0.990 63.269 62.300 -0.036 0.000 1.142 341 V CB -0.822 30.933 31.823 -0.114 0.000 0.754 341 V HN 0.414 nan 8.190 nan 0.000 0.484 342 Y N 1.285 121.601 120.300 0.026 0.000 2.511 342 Y HA 0.261 4.810 4.550 -0.002 0.000 0.279 342 Y C 2.212 178.118 175.900 0.010 0.000 1.157 342 Y CA 0.361 58.475 58.100 0.022 0.000 1.300 342 Y CB -0.463 38.019 38.460 0.037 0.000 1.052 342 Y HN 0.305 nan 8.280 nan 0.000 0.529 343 N N 0.277 119.049 118.700 0.121 0.000 2.443 343 N HA -0.146 4.593 4.740 -0.002 0.000 0.184 343 N C 0.981 176.504 175.510 0.022 0.000 1.037 343 N CA 0.701 53.789 53.050 0.063 0.000 0.896 343 N CB -0.203 38.314 38.487 0.051 0.000 0.959 343 N HN 0.449 nan 8.380 nan 0.000 0.442 344 N N 0.621 119.313 118.700 -0.013 0.000 2.331 344 N HA -0.040 4.699 4.740 -0.002 0.000 0.180 344 N C 1.800 177.290 175.510 -0.033 0.000 1.019 344 N CA 0.339 53.369 53.050 -0.034 0.000 0.881 344 N CB -0.159 38.290 38.487 -0.064 0.000 0.972 344 N HN 0.065 nan 8.380 nan 0.000 0.435 345 V N 0.945 120.838 119.914 -0.034 0.000 2.332 345 V HA -0.187 3.932 4.120 -0.002 0.000 0.248 345 V C 2.416 178.509 176.094 -0.002 0.000 1.055 345 V CA 1.331 63.615 62.300 -0.026 0.000 1.038 345 V CB -0.646 31.176 31.823 -0.003 0.000 0.651 345 V HN 0.070 nan 8.190 nan 0.000 0.450 346 V N -0.108 119.815 119.914 0.015 0.000 2.379 346 V HA -0.181 3.938 4.120 -0.002 0.000 0.245 346 V C 2.540 178.651 176.094 0.028 0.000 1.044 346 V CA 1.738 64.051 62.300 0.022 0.000 1.036 346 V CB -0.905 30.933 31.823 0.026 0.000 0.664 346 V HN 0.430 nan 8.190 nan 0.000 0.453 347 R N 0.429 120.943 120.500 0.023 0.000 2.083 347 R HA -0.147 4.192 4.340 -0.002 0.000 0.237 347 R C 2.431 178.755 176.300 0.040 0.000 1.137 347 R CA 2.055 58.172 56.100 0.030 0.000 0.951 347 R CB -0.887 29.422 30.300 0.015 0.000 0.851 347 R HN 0.506 nan 8.270 nan 0.000 0.434 348 T N 0.329 114.900 114.554 0.027 0.000 2.821 348 T HA -0.167 4.183 4.350 -0.002 0.000 0.267 348 T C 2.028 176.755 174.700 0.044 0.000 1.046 348 T CA 1.152 63.271 62.100 0.032 0.000 1.139 348 T CB -0.418 68.452 68.868 0.003 0.000 0.871 348 T HN 0.397 nan 8.240 nan 0.000 0.454 349 C N 1.155 120.485 119.300 0.049 0.000 2.413 349 C HA -0.053 4.406 4.460 -0.002 0.000 0.277 349 C C 2.549 177.598 174.990 0.099 0.000 1.228 349 C CA 0.505 59.572 59.018 0.082 0.000 1.731 349 C CB -1.312 26.476 27.740 0.079 0.000 2.042 349 C HN 0.545 nan 8.230 nan 0.000 0.468 350 I N 1.239 121.861 120.570 0.087 0.000 2.286 350 I HA -0.165 4.004 4.170 -0.002 0.000 0.248 350 I C 2.341 178.553 176.117 0.158 0.000 1.115 350 I CA 1.952 63.321 61.300 0.115 0.000 1.392 350 I CB -0.577 37.467 38.000 0.073 0.000 1.065 350 I HN 0.460 nan 8.210 nan 0.000 0.418 351 E N 0.352 120.615 120.200 0.105 0.000 2.106 351 E HA -0.180 4.169 4.350 -0.002 0.000 0.192 351 E C 2.249 178.878 176.600 0.048 0.000 0.984 351 E CA 1.146 57.592 56.400 0.078 0.000 0.806 351 E CB -0.344 29.404 29.700 0.079 0.000 0.750 351 E HN 0.636 nan 8.360 nan 0.000 0.458 352 A N 0.859 123.705 122.820 0.043 0.000 1.898 352 A HA -0.171 4.148 4.320 -0.002 0.000 0.216 352 A C 2.128 179.694 177.584 -0.030 0.000 1.181 352 A CA 1.174 53.202 52.037 -0.015 0.000 0.620 352 A CB -0.385 18.623 19.000 0.015 0.000 0.819 352 A HN 0.121 nan 8.150 nan 0.000 0.442 353 M N -0.392 119.263 119.600 0.092 0.000 2.065 353 M HA -0.189 4.290 4.480 -0.002 0.000 0.259 353 M C 2.580 179.017 176.300 0.228 0.000 1.069 353 M CA 1.687 57.108 55.300 0.201 0.000 1.110 353 M CB -0.488 32.296 32.600 0.307 0.000 1.328 353 M HN 0.473 nan 8.290 nan 0.000 0.405 354 A N 0.398 123.308 122.820 0.151 0.000 1.859 354 A HA -0.206 4.114 4.320 -0.002 0.000 0.217 354 A C 2.366 179.832 177.584 -0.197 0.000 1.198 354 A CA 2.471 54.309 52.037 -0.331 0.000 0.629 354 A CB -1.342 17.420 19.000 -0.396 0.000 0.830 354 A HN 0.548 nan 8.150 nan 0.000 0.446 355 A N -0.568 122.181 122.820 -0.117 0.000 1.873 355 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 355 A C 2.472 179.996 177.584 -0.100 0.000 1.193 355 A CA 3.110 55.089 52.037 -0.098 0.000 0.629 355 A CB -1.585 17.355 19.000 -0.100 0.000 0.826 355 A HN 0.929 nan 8.150 nan 0.000 0.447 356 T N -2.876 111.555 114.554 -0.204 0.000 2.951 356 T HA -0.077 4.272 4.350 -0.002 0.000 0.268 356 T C 1.694 176.546 174.700 0.253 0.000 1.073 356 T CA 1.421 63.416 62.100 -0.176 0.000 1.134 356 T CB -0.268 68.108 68.868 -0.821 0.000 0.884 356 T HN 0.582 nan 8.240 nan 0.000 0.479 357 Q N 0.466 120.380 119.800 0.190 0.000 2.451 357 Q HA 0.245 4.584 4.340 -0.002 0.000 0.206 357 Q C 2.214 178.259 176.000 0.075 0.000 0.947 357 Q CA 0.525 56.484 55.803 0.259 0.000 0.937 357 Q CB 0.043 29.056 28.738 0.458 0.000 1.025 357 Q HN 0.713 nan 8.270 nan 0.000 0.511 358 G N -1.404 107.387 108.800 -0.015 0.000 2.986 358 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.213 358 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.213 358 G C -0.414 174.507 174.900 0.034 0.000 1.156 358 G CA -0.235 44.811 45.100 -0.091 0.000 0.763 358 G HN 0.513 nan 8.290 nan 0.000 0.547 359 H N -0.079 119.015 119.070 0.039 0.000 3.054 359 H HA -0.145 4.410 4.556 -0.002 0.000 0.354 359 H C 0.109 175.527 175.328 0.151 0.000 1.271 359 H CA 0.078 56.160 56.048 0.057 0.000 1.210 359 H CB -1.472 28.253 29.762 -0.062 0.000 1.562 359 H HN 0.280 nan 8.280 nan 0.000 0.440 360 T N 0.197 114.936 114.554 0.307 0.000 2.899 360 T HA 0.092 4.441 4.350 -0.002 0.000 0.295 360 T C 1.344 176.257 174.700 0.355 0.000 1.033 360 T CA -0.145 62.111 62.100 0.260 0.000 1.084 360 T CB 1.199 70.146 68.868 0.130 0.000 0.979 360 T HN 0.434 nan 8.240 nan 0.000 0.532 361 Q N 1.155 121.146 119.800 0.319 0.000 2.376 361 Q HA 0.252 4.591 4.340 -0.002 0.000 0.206 361 Q C 0.413 176.632 176.000 0.366 0.000 0.921 361 Q CA 0.175 56.201 55.803 0.372 0.000 0.911 361 Q CB 0.519 29.446 28.738 0.317 0.000 1.032 361 Q HN 0.700 nan 8.270 nan 0.000 0.510 362 S N -1.294 114.597 115.700 0.318 0.000 2.567 362 S HA 0.699 5.168 4.470 -0.002 0.000 0.270 362 S C -1.745 172.967 174.600 0.187 0.000 1.152 362 S CA -1.039 57.370 58.200 0.350 0.000 0.835 362 S CB 1.159 64.577 63.200 0.363 0.000 1.115 362 S HN 0.073 nan 8.310 nan 0.000 0.459 363 L N 1.361 122.696 121.223 0.187 0.000 2.505 363 L HA 0.732 5.071 4.340 -0.002 0.000 0.259 363 L C -1.548 175.378 176.870 0.093 0.000 0.952 363 L CA -0.177 54.641 54.840 -0.035 0.000 0.840 363 L CB 2.164 44.185 42.059 -0.063 0.000 1.358 363 L HN 1.128 nan 8.230 nan 0.000 0.409 364 H N 1.342 120.374 119.070 -0.063 0.000 2.489 364 H HA 0.795 5.350 4.556 -0.002 0.000 0.343 364 H C -1.163 174.177 175.328 0.020 0.000 1.086 364 H CA 0.105 56.177 56.048 0.040 0.000 1.198 364 H CB 1.532 31.374 29.762 0.133 0.000 1.490 364 H HN 0.738 nan 8.280 nan 0.000 0.504 365 T N 2.976 117.216 114.554 -0.522 0.000 2.807 365 T HA 0.357 4.706 4.350 -0.002 0.000 0.279 365 T C -0.024 174.432 174.700 -0.407 0.000 0.993 365 T CA -1.266 60.662 62.100 -0.287 0.000 0.970 365 T CB 0.899 69.676 68.868 -0.152 0.000 0.950 365 T HN 0.534 nan 8.240 nan 0.000 0.441 366 N N 1.809 120.449 118.700 -0.100 0.000 2.415 366 N HA 0.247 4.986 4.740 -0.002 0.000 0.248 366 N C 0.080 175.546 175.510 -0.074 0.000 1.271 366 N CA -0.163 52.880 53.050 -0.011 0.000 0.913 366 N CB 0.679 39.231 38.487 0.108 0.000 1.129 366 N HN 0.611 nan 8.380 nan 0.000 0.444 367 S N 0.516 116.183 115.700 -0.056 0.000 2.616 367 S HA 0.184 4.653 4.470 -0.002 0.000 0.277 367 S C 1.723 176.270 174.600 -0.088 0.000 1.234 367 S CA -0.735 57.409 58.200 -0.093 0.000 1.028 367 S CB 0.764 63.920 63.200 -0.073 0.000 0.988 367 S HN 0.493 nan 8.310 nan 0.000 0.522 368 L N 0.884 122.017 121.223 -0.150 0.000 2.131 368 L HA -0.002 4.337 4.340 -0.002 0.000 0.210 368 L C 1.247 178.028 176.870 -0.148 0.000 1.092 368 L CA 1.496 56.231 54.840 -0.175 0.000 0.759 368 L CB -0.841 41.027 42.059 -0.319 0.000 0.903 368 L HN 0.576 nan 8.230 nan 0.000 0.435 369 D N -1.331 119.000 120.400 -0.116 0.000 2.363 369 D HA -0.051 4.588 4.640 -0.002 0.000 0.214 369 D C 1.521 177.813 176.300 -0.013 0.000 1.093 369 D CA 0.081 54.043 54.000 -0.065 0.000 0.837 369 D CB -0.425 40.348 40.800 -0.045 0.000 0.948 369 D HN 0.532 nan 8.370 nan 0.000 0.507 370 E N -0.013 120.189 120.200 0.003 0.000 2.502 370 E HA 0.112 4.461 4.350 -0.002 0.000 0.194 370 E C 1.656 178.290 176.600 0.056 0.000 1.062 370 E CA 0.124 56.552 56.400 0.048 0.000 0.867 370 E CB 0.211 29.956 29.700 0.074 0.000 0.888 370 E HN 0.386 nan 8.360 nan 0.000 0.510 371 A N 1.347 124.184 122.820 0.028 0.000 1.859 371 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 371 A C 1.966 179.571 177.584 0.035 0.000 1.198 371 A CA 1.699 53.751 52.037 0.025 0.000 0.629 371 A CB -0.357 18.637 19.000 -0.009 0.000 0.830 371 A HN 0.404 nan 8.150 nan 0.000 0.446 372 I N -5.538 115.048 120.570 0.027 0.000 3.817 372 I HA 0.714 4.883 4.170 -0.002 0.000 0.325 372 I C 0.228 176.367 176.117 0.037 0.000 1.550 372 I CA 0.101 61.417 61.300 0.027 0.000 1.100 372 I CB 0.446 38.455 38.000 0.014 0.000 1.216 372 I HN 0.276 nan 8.210 nan 0.000 0.481 373 A N 0.967 123.814 122.820 0.046 0.000 2.583 373 A HA 0.854 5.173 4.320 -0.002 0.000 0.299 373 A C -1.193 176.434 177.584 0.071 0.000 1.258 373 A CA -0.764 51.305 52.037 0.053 0.000 0.682 373 A CB 0.967 19.993 19.000 0.045 0.000 1.332 373 A HN 0.216 nan 8.150 nan 0.000 0.485 374 L N 1.149 122.418 121.223 0.077 0.000 2.325 374 L HA 0.466 4.805 4.340 -0.002 0.000 0.279 374 L C -2.193 174.724 176.870 0.078 0.000 1.054 374 L CA -1.898 52.999 54.840 0.095 0.000 0.804 374 L CB 0.976 43.104 42.059 0.115 0.000 1.200 374 L HN 0.411 nan 8.230 nan 0.000 0.436 375 P HA 0.114 nan 4.420 nan 0.000 0.271 375 P C -0.298 177.033 177.300 0.052 0.000 1.218 375 P CA -0.378 62.750 63.100 0.046 0.000 0.780 375 P CB 0.629 32.347 31.700 0.032 0.000 0.901 376 T N -1.761 112.823 114.554 0.051 0.000 2.849 376 T HA 0.200 4.549 4.350 -0.002 0.000 0.276 376 T C 0.892 175.628 174.700 0.061 0.000 0.971 376 T CA -0.399 61.745 62.100 0.074 0.000 0.949 376 T CB 0.442 69.387 68.868 0.128 0.000 1.093 376 T HN 0.168 nan 8.240 nan 0.000 0.545 377 D N -0.453 119.990 120.400 0.072 0.000 2.117 377 D HA -0.040 4.599 4.640 -0.002 0.000 0.197 377 D C 1.475 177.837 176.300 0.102 0.000 0.987 377 D CA 0.967 55.005 54.000 0.063 0.000 0.829 377 D CB -0.378 40.455 40.800 0.056 0.000 0.961 377 D HN 0.561 nan 8.370 nan 0.000 0.460 378 F N 1.891 121.840 119.950 -0.002 0.000 2.113 378 F HA -0.189 4.337 4.527 -0.001 0.000 0.297 378 F C 2.437 178.236 175.800 -0.001 0.000 1.103 378 F CA 1.934 59.938 58.000 0.006 0.000 1.248 378 F CB -0.494 38.519 39.000 0.022 0.000 0.999 378 F HN -0.044 nan 8.300 nan 0.000 0.475 379 S N 0.716 116.267 115.700 -0.247 0.000 2.406 379 S HA -0.037 4.432 4.470 -0.002 0.000 0.228 379 S C 2.238 176.703 174.600 -0.225 0.000 1.020 379 S CA 0.655 58.643 58.200 -0.354 0.000 0.965 379 S CB -1.197 61.892 63.200 -0.184 0.000 0.798 379 S HN 0.458 nan 8.310 nan 0.000 0.488 380 A N 3.012 125.761 122.820 -0.119 0.000 2.015 380 A HA -0.057 4.262 4.320 -0.002 0.000 0.219 380 A C 2.341 179.867 177.584 -0.097 0.000 1.163 380 A CA 1.364 53.346 52.037 -0.093 0.000 0.646 380 A CB -0.679 18.294 19.000 -0.045 0.000 0.806 380 A HN 0.797 nan 8.150 nan 0.000 0.448 381 R N -0.310 120.130 120.500 -0.100 0.000 2.119 381 R HA 0.128 4.467 4.340 -0.002 0.000 0.222 381 R C 1.663 177.887 176.300 -0.126 0.000 1.088 381 R CA 1.328 57.381 56.100 -0.078 0.000 0.984 381 R CB -0.539 29.748 30.300 -0.021 0.000 0.884 381 R HN 0.421 nan 8.270 nan 0.000 0.447 382 I N 1.799 122.227 120.570 -0.237 0.000 2.252 382 I HA -0.184 3.985 4.170 -0.002 0.000 0.245 382 I C 2.742 178.776 176.117 -0.139 0.000 1.102 382 I CA 1.230 62.399 61.300 -0.217 0.000 1.385 382 I CB -0.458 37.337 38.000 -0.341 0.000 1.064 382 I HN 0.359 nan 8.210 nan 0.000 0.414 383 A N 1.057 123.788 122.820 -0.147 0.000 1.865 383 A HA -0.286 4.033 4.320 -0.002 0.000 0.217 383 A C 2.431 179.963 177.584 -0.087 0.000 1.191 383 A CA 2.196 54.157 52.037 -0.126 0.000 0.623 383 A CB -0.715 18.184 19.000 -0.168 0.000 0.826 383 A HN 0.384 nan 8.150 nan 0.000 0.444 384 R N -0.090 120.365 120.500 -0.074 0.000 2.092 384 R HA -0.097 4.243 4.340 -0.002 0.000 0.231 384 R C 1.761 178.065 176.300 0.006 0.000 1.119 384 R CA 1.787 57.867 56.100 -0.032 0.000 0.970 384 R CB -0.429 29.852 30.300 -0.031 0.000 0.864 384 R HN 0.723 nan 8.270 nan 0.000 0.440 385 N N -0.947 117.754 118.700 0.001 0.000 2.396 385 N HA -0.081 4.658 4.740 -0.002 0.000 0.180 385 N C 1.163 176.733 175.510 0.100 0.000 1.028 385 N CA 1.268 54.341 53.050 0.037 0.000 0.893 385 N CB 0.095 38.590 38.487 0.013 0.000 0.967 385 N HN 0.172 nan 8.380 nan 0.000 0.440 386 T N 1.192 115.795 114.554 0.081 0.000 2.665 386 T HA -0.209 4.140 4.350 -0.002 0.000 0.268 386 T C 1.806 176.649 174.700 0.238 0.000 1.035 386 T CA 1.311 63.502 62.100 0.151 0.000 1.151 386 T CB -0.191 68.721 68.868 0.073 0.000 0.862 386 T HN 0.314 nan 8.240 nan 0.000 0.438 387 Q N 0.222 120.142 119.800 0.201 0.000 1.990 387 Q HA 0.006 4.345 4.340 -0.002 0.000 0.200 387 Q C 2.570 178.694 176.000 0.206 0.000 0.980 387 Q CA 1.176 57.157 55.803 0.297 0.000 0.832 387 Q CB -0.461 28.449 28.738 0.286 0.000 0.897 387 Q HN 0.446 nan 8.270 nan 0.000 0.427 388 L N 0.071 121.352 121.223 0.096 0.000 1.997 388 L HA -0.260 4.079 4.340 -0.002 0.000 0.216 388 L C 2.425 179.350 176.870 0.091 0.000 1.074 388 L CA 1.481 56.343 54.840 0.037 0.000 0.763 388 L CB -0.691 41.384 42.059 0.027 0.000 0.890 388 L HN 0.205 nan 8.230 nan 0.000 0.434 389 F N 0.733 120.703 119.950 0.034 0.000 2.063 389 F HA -0.284 4.242 4.527 -0.001 0.000 0.298 389 F C 2.236 178.087 175.800 0.084 0.000 1.109 389 F CA 1.785 59.814 58.000 0.048 0.000 1.212 389 F CB -0.433 38.595 39.000 0.046 0.000 0.973 389 F HN -0.118 nan 8.300 nan 0.000 0.480 390 L N -0.364 120.842 121.223 -0.029 0.000 2.046 390 L HA -0.253 4.087 4.340 -0.002 0.000 0.208 390 L C 2.554 179.461 176.870 0.061 0.000 1.077 390 L CA 1.664 56.501 54.840 -0.005 0.000 0.747 390 L CB -0.976 41.244 42.059 0.269 0.000 0.896 390 L HN 0.240 nan 8.230 nan 0.000 0.432 391 Q N -0.557 119.261 119.800 0.030 0.000 2.079 391 Q HA -0.221 4.119 4.340 -0.002 0.000 0.200 391 Q C 2.264 178.174 176.000 -0.149 0.000 0.974 391 Q CA 1.539 57.234 55.803 -0.180 0.000 0.840 391 Q CB 0.043 28.521 28.738 -0.433 0.000 0.898 391 Q HN 0.580 nan 8.270 nan 0.000 0.430 392 Q N -0.433 119.284 119.800 -0.138 0.000 2.200 392 Q HA -0.021 4.318 4.340 -0.002 0.000 0.197 392 Q C 1.101 177.026 176.000 -0.125 0.000 0.953 392 Q CA 0.760 56.496 55.803 -0.111 0.000 0.851 392 Q CB 0.530 29.229 28.738 -0.064 0.000 0.938 392 Q HN 0.308 nan 8.270 nan 0.000 0.488 393 E N -0.045 120.014 120.200 -0.236 0.000 2.511 393 E HA 0.029 4.378 4.350 -0.002 0.000 0.209 393 E C 1.654 178.053 176.600 -0.334 0.000 0.986 393 E CA 0.484 56.740 56.400 -0.240 0.000 0.974 393 E CB 0.658 30.249 29.700 -0.182 0.000 1.030 393 E HN 0.165 nan 8.360 nan 0.000 0.490 394 S N 0.260 115.718 115.700 -0.405 0.000 2.395 394 S HA 0.034 4.504 4.470 -0.002 0.000 0.225 394 S C 1.847 176.387 174.600 -0.099 0.000 1.027 394 S CA 0.949 58.977 58.200 -0.285 0.000 0.965 394 S CB -0.091 62.968 63.200 -0.235 0.000 0.812 394 S HN 0.320 nan 8.310 nan 0.000 0.482 395 G N 0.730 109.496 108.800 -0.056 0.000 2.136 395 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.242 395 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.242 395 G C 0.641 175.563 174.900 0.037 0.000 0.989 395 G CA 0.854 45.950 45.100 -0.007 0.000 0.682 395 G HN 1.309 nan 8.290 nan 0.000 0.522 396 T N -2.533 112.070 114.554 0.083 0.000 3.145 396 T HA 0.357 4.706 4.350 -0.002 0.000 0.255 396 T C 1.863 176.732 174.700 0.282 0.000 1.039 396 T CA 1.507 63.698 62.100 0.152 0.000 0.928 396 T CB 0.317 69.292 68.868 0.178 0.000 1.029 396 T HN 0.991 nan 8.240 nan 0.000 0.554 397 T N -0.302 114.408 114.554 0.260 0.000 3.023 397 T HA 0.157 4.506 4.350 -0.002 0.000 0.253 397 T C 1.880 176.718 174.700 0.231 0.000 1.038 397 T CA -0.366 61.946 62.100 0.354 0.000 0.962 397 T CB -0.128 68.897 68.868 0.262 0.000 1.018 397 T HN 0.542 nan 8.240 nan 0.000 0.521 398 R N 0.963 121.548 120.500 0.142 0.000 2.119 398 R HA 0.217 4.556 4.340 -0.002 0.000 0.222 398 R C 0.262 176.621 176.300 0.099 0.000 1.088 398 R CA 0.336 56.498 56.100 0.102 0.000 0.984 398 R CB -0.588 29.747 30.300 0.059 0.000 0.884 398 R HN 0.289 nan 8.270 nan 0.000 0.447 399 V N 2.647 122.618 119.914 0.094 0.000 2.472 399 V HA 0.266 4.385 4.120 -0.002 0.000 0.290 399 V C 0.232 176.395 176.094 0.115 0.000 1.037 399 V CA -0.955 61.387 62.300 0.070 0.000 0.908 399 V CB 1.859 33.691 31.823 0.015 0.000 0.985 399 V HN 0.127 nan 8.190 nan 0.000 0.454 400 I N 4.320 124.950 120.570 0.100 0.000 2.587 400 I HA 0.091 4.260 4.170 -0.002 0.000 0.284 400 I C 0.645 176.822 176.117 0.100 0.000 1.134 400 I CA 0.363 61.758 61.300 0.157 0.000 1.410 400 I CB -0.145 37.912 38.000 0.094 0.000 1.392 400 I HN 0.710 nan 8.210 nan 0.000 0.545 401 D N 8.162 128.649 120.400 0.145 0.000 3.003 401 D HA -0.141 4.498 4.640 -0.002 0.000 0.223 401 D C -1.406 174.880 176.300 -0.023 0.000 1.204 401 D CA -0.053 53.896 54.000 -0.084 0.000 0.828 401 D CB 0.248 41.106 40.800 0.097 0.000 0.918 401 D HN 0.342 nan 8.370 nan 0.000 0.401 402 P HA -0.140 nan 4.420 nan 0.000 0.219 402 P C 1.388 178.568 177.300 -0.199 0.000 1.146 402 P CA 1.244 64.249 63.100 -0.159 0.000 0.808 402 P CB -0.174 31.359 31.700 -0.278 0.000 0.779 403 W N 0.123 121.460 121.300 0.061 0.000 3.003 403 W HA 0.184 4.843 4.660 -0.002 0.000 0.257 403 W C 1.148 177.715 176.519 0.080 0.000 1.308 403 W CA -0.129 57.272 57.345 0.092 0.000 1.529 403 W CB -0.504 29.027 29.460 0.118 0.000 1.115 403 W HN -0.163 nan 8.180 nan 0.000 0.659 404 S N 0.840 116.682 115.700 0.237 0.000 2.673 404 S HA 0.264 4.733 4.470 -0.002 0.000 0.308 404 S C 1.328 176.012 174.600 0.141 0.000 1.246 404 S CA 1.409 59.738 58.200 0.216 0.000 1.077 404 S CB 0.099 63.412 63.200 0.188 0.000 0.814 404 S HN 0.765 nan 8.310 nan 0.000 0.503 405 G N 2.994 111.873 108.800 0.131 0.000 2.317 405 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.227 405 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.227 405 G C 0.424 175.447 174.900 0.204 0.000 1.042 405 G CA 0.401 45.537 45.100 0.060 0.000 0.623 405 G HN 1.916 nan 8.290 nan 0.000 0.509 406 S N 1.360 117.208 115.700 0.247 0.000 2.626 406 S HA 0.431 4.901 4.470 -0.002 0.000 0.303 406 S C 1.849 176.593 174.600 0.240 0.000 1.256 406 S CA 0.841 59.201 58.200 0.267 0.000 1.069 406 S CB 1.032 64.436 63.200 0.340 0.000 0.807 406 S HN 1.837 nan 8.310 nan 0.000 0.500 407 A N 5.453 128.404 122.820 0.219 0.000 1.898 407 A HA -0.000 4.319 4.320 -0.002 0.000 0.216 407 A C 1.858 179.478 177.584 0.061 0.000 1.181 407 A CA 1.431 53.550 52.037 0.137 0.000 0.620 407 A CB -1.101 17.920 19.000 0.036 0.000 0.819 407 A HN 1.069 nan 8.150 nan 0.000 0.442 408 Y N 0.906 121.079 120.300 -0.212 0.000 2.097 408 Y HA -0.185 4.364 4.550 -0.002 0.000 0.282 408 Y C 2.368 178.005 175.900 -0.439 0.000 1.152 408 Y CA 1.899 59.602 58.100 -0.662 0.000 1.136 408 Y CB -0.601 37.490 38.460 -0.614 0.000 0.975 408 Y HN 0.073 nan 8.280 nan 0.000 0.498 409 V N 0.351 120.067 119.914 -0.329 0.000 2.591 409 V HA -0.152 3.967 4.120 -0.002 0.000 0.249 409 V C 2.303 178.354 176.094 -0.072 0.000 1.053 409 V CA 1.735 63.855 62.300 -0.299 0.000 1.068 409 V CB -0.461 31.264 31.823 -0.163 0.000 0.689 409 V HN 0.278 nan 8.190 nan 0.000 0.462 410 E N 0.344 120.594 120.200 0.085 0.000 2.051 410 E HA -0.239 4.110 4.350 -0.002 0.000 0.192 410 E C 2.205 178.954 176.600 0.249 0.000 0.991 410 E CA 1.445 57.994 56.400 0.249 0.000 0.799 410 E CB -0.157 29.709 29.700 0.277 0.000 0.748 410 E HN 0.661 nan 8.360 nan 0.000 0.449 411 E N 1.031 121.302 120.200 0.118 0.000 2.077 411 E HA -0.124 4.225 4.350 -0.002 0.000 0.193 411 E C 2.194 178.850 176.600 0.092 0.000 0.989 411 E CA 0.835 57.332 56.400 0.161 0.000 0.800 411 E CB -0.303 29.444 29.700 0.078 0.000 0.746 411 E HN 0.182 nan 8.360 nan 0.000 0.452 412 L N -0.113 121.040 121.223 -0.115 0.000 2.046 412 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 412 L C 2.488 179.313 176.870 -0.076 0.000 1.077 412 L CA 1.651 56.397 54.840 -0.158 0.000 0.747 412 L CB -0.834 41.020 42.059 -0.341 0.000 0.896 412 L HN 0.191 nan 8.230 nan 0.000 0.432 413 T N -0.968 113.569 114.554 -0.029 0.000 2.635 413 T HA -0.295 4.054 4.350 -0.002 0.000 0.267 413 T C 1.487 176.251 174.700 0.107 0.000 1.040 413 T CA 1.761 63.849 62.100 -0.019 0.000 1.156 413 T CB -0.487 68.388 68.868 0.011 0.000 0.863 413 T HN 0.516 nan 8.240 nan 0.000 0.430 414 W N 1.925 123.291 121.300 0.111 0.000 2.358 414 W HA -0.184 4.475 4.660 -0.002 0.000 0.303 414 W C 1.667 178.216 176.519 0.049 0.000 1.208 414 W CA 1.100 58.559 57.345 0.190 0.000 1.274 414 W CB -0.083 29.578 29.460 0.336 0.000 1.138 414 W HN 0.267 nan 8.180 nan 0.000 0.515 415 D N 0.742 121.169 120.400 0.045 0.000 2.084 415 D HA -0.187 4.452 4.640 -0.002 0.000 0.194 415 D C 2.267 178.481 176.300 -0.144 0.000 0.990 415 D CA 1.729 55.662 54.000 -0.111 0.000 0.826 415 D CB -0.887 39.885 40.800 -0.048 0.000 0.971 415 D HN 0.227 nan 8.370 nan 0.000 0.453 416 L N 0.776 121.929 121.223 -0.117 0.000 2.017 416 L HA -0.169 4.170 4.340 -0.002 0.000 0.208 416 L C 2.577 179.369 176.870 -0.130 0.000 1.073 416 L CA 1.270 56.028 54.840 -0.137 0.000 0.745 416 L CB -0.520 41.444 42.059 -0.158 0.000 0.894 416 L HN -0.028 nan 8.230 nan 0.000 0.432 417 A N 0.217 122.966 122.820 -0.118 0.000 1.883 417 A HA -0.244 4.075 4.320 -0.002 0.000 0.217 417 A C 2.411 179.938 177.584 -0.095 0.000 1.186 417 A CA 1.938 53.917 52.037 -0.097 0.000 0.624 417 A CB -0.515 18.426 19.000 -0.098 0.000 0.822 417 A HN 0.340 nan 8.150 nan 0.000 0.444 418 R N -0.974 119.385 120.500 -0.235 0.000 2.090 418 R HA -0.027 4.312 4.340 -0.002 0.000 0.228 418 R C 2.363 178.574 176.300 -0.149 0.000 1.110 418 R CA 1.441 57.393 56.100 -0.247 0.000 0.973 418 R CB -0.204 29.788 30.300 -0.512 0.000 0.869 418 R HN 0.568 nan 8.270 nan 0.000 0.440 419 K N 0.492 120.767 120.400 -0.209 0.000 2.057 419 K HA -0.073 4.246 4.320 -0.002 0.000 0.206 419 K C 1.972 178.332 176.600 -0.399 0.000 1.050 419 K CA 1.323 57.430 56.287 -0.299 0.000 0.935 419 K CB -0.021 32.318 32.500 -0.268 0.000 0.715 419 K HN 0.149 nan 8.250 nan 0.000 0.439 420 A N 0.924 123.631 122.820 -0.189 0.000 1.930 420 A HA -0.182 4.137 4.320 -0.002 0.000 0.217 420 A C 1.966 179.551 177.584 0.002 0.000 1.175 420 A CA 1.011 53.002 52.037 -0.077 0.000 0.627 420 A CB -1.013 17.993 19.000 0.010 0.000 0.815 420 A HN 0.680 nan 8.150 nan 0.000 0.443 421 W N 0.663 121.887 121.300 -0.126 0.000 2.318 421 W HA -0.226 4.433 4.660 -0.002 0.000 0.313 421 W C 2.094 178.565 176.519 -0.080 0.000 1.221 421 W CA 1.854 59.151 57.345 -0.080 0.000 1.266 421 W CB -0.440 28.962 29.460 -0.097 0.000 1.150 421 W HN 0.393 nan 8.180 nan 0.000 0.496 422 G N -1.270 107.463 108.800 -0.113 0.000 2.421 422 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.217 422 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.217 422 G C 1.156 175.977 174.900 -0.132 0.000 1.143 422 G CA 0.901 45.905 45.100 -0.161 0.000 0.784 422 G HN 0.296 nan 8.290 nan 0.000 0.541 423 H N 0.510 119.526 119.070 -0.090 0.000 2.357 423 H HA 0.074 4.629 4.556 -0.002 0.000 0.301 423 H C 2.658 177.973 175.328 -0.022 0.000 1.082 423 H CA 0.773 56.786 56.048 -0.057 0.000 1.342 423 H CB -0.283 29.385 29.762 -0.156 0.000 1.389 423 H HN 0.343 nan 8.280 nan 0.000 0.511 424 I N 0.949 121.519 120.570 0.001 0.000 2.226 424 I HA -0.253 3.916 4.170 -0.002 0.000 0.245 424 I C 2.408 178.392 176.117 -0.222 0.000 1.100 424 I CA 0.995 62.236 61.300 -0.098 0.000 1.374 424 I CB -0.116 37.756 38.000 -0.212 0.000 1.057 424 I HN 0.102 nan 8.210 nan 0.000 0.413 425 Q N 0.410 119.997 119.800 -0.355 0.000 2.124 425 Q HA -0.250 4.089 4.340 -0.002 0.000 0.202 425 Q C 1.996 177.924 176.000 -0.120 0.000 0.977 425 Q CA 1.434 57.071 55.803 -0.276 0.000 0.850 425 Q CB -0.511 28.055 28.738 -0.287 0.000 0.901 425 Q HN 0.571 nan 8.270 nan 0.000 0.429 426 E N 0.082 120.251 120.200 -0.053 0.000 2.051 426 E HA -0.141 4.209 4.350 -0.002 0.000 0.192 426 E C 2.010 178.605 176.600 -0.009 0.000 0.991 426 E CA 1.206 57.604 56.400 -0.003 0.000 0.799 426 E CB 0.212 29.946 29.700 0.057 0.000 0.748 426 E HN 0.119 nan 8.360 nan 0.000 0.449 427 V N 1.752 121.671 119.914 0.008 0.000 2.295 427 V HA -0.225 3.894 4.120 -0.002 0.000 0.246 427 V C 2.264 178.330 176.094 -0.047 0.000 1.049 427 V CA 1.925 64.213 62.300 -0.020 0.000 1.024 427 V CB -0.401 31.434 31.823 0.020 0.000 0.648 427 V HN 0.268 nan 8.190 nan 0.000 0.447 428 E N -0.156 120.007 120.200 -0.062 0.000 2.150 428 E HA -0.219 4.130 4.350 -0.002 0.000 0.193 428 E C 2.122 178.684 176.600 -0.062 0.000 0.985 428 E CA 0.895 57.253 56.400 -0.069 0.000 0.814 428 E CB -0.227 29.415 29.700 -0.096 0.000 0.752 428 E HN 0.504 nan 8.360 nan 0.000 0.466 429 K N 0.774 121.139 120.400 -0.059 0.000 2.063 429 K HA -0.122 4.197 4.320 -0.002 0.000 0.208 429 K C 1.834 178.408 176.600 -0.044 0.000 1.048 429 K CA 1.305 57.564 56.287 -0.047 0.000 0.928 429 K CB -0.016 32.460 32.500 -0.040 0.000 0.713 429 K HN 0.133 nan 8.250 nan 0.000 0.442 430 V N -2.415 117.471 119.914 -0.047 0.000 3.490 430 V HA 0.352 4.471 4.120 -0.002 0.000 0.315 430 V C 0.742 176.802 176.094 -0.058 0.000 1.284 430 V CA 0.464 62.734 62.300 -0.051 0.000 1.233 430 V CB -0.553 31.237 31.823 -0.055 0.000 1.101 430 V HN 0.440 nan 8.190 nan 0.000 0.425 431 G N -1.453 107.314 108.800 -0.055 0.000 2.176 431 G HA2 0.223 4.182 3.960 -0.002 0.000 0.253 431 G HA3 0.223 4.182 3.960 -0.002 0.000 0.253 431 G C 1.050 175.916 174.900 -0.057 0.000 0.979 431 G CA -0.024 45.043 45.100 -0.055 0.000 0.641 431 G HN 2.491 nan 8.290 nan 0.000 0.530 432 G N -2.091 106.672 108.800 -0.060 0.000 2.440 432 G HA2 0.294 4.254 3.960 -0.002 0.000 0.684 432 G HA3 0.294 4.254 3.960 -0.002 0.000 0.684 432 G C 0.554 175.401 174.900 -0.089 0.000 1.309 432 G CA 0.279 45.344 45.100 -0.059 0.000 0.931 432 G HN 0.605 nan 8.290 nan 0.000 0.612 433 M N 0.604 120.147 119.600 -0.096 0.000 2.065 433 M HA -0.116 4.363 4.480 -0.002 0.000 0.259 433 M C 3.056 179.259 176.300 -0.162 0.000 1.069 433 M CA 2.877 58.097 55.300 -0.133 0.000 1.110 433 M CB -1.751 30.774 32.600 -0.125 0.000 1.328 433 M HN 1.272 nan 8.290 nan 0.000 0.405 434 A N 0.456 123.182 122.820 -0.157 0.000 1.892 434 A HA -0.222 4.097 4.320 -0.002 0.000 0.218 434 A C 2.202 179.660 177.584 -0.209 0.000 1.188 434 A CA 2.050 53.966 52.037 -0.200 0.000 0.631 434 A CB -0.651 18.249 19.000 -0.166 0.000 0.822 434 A HN 0.552 nan 8.150 nan 0.000 0.447 435 K N -0.409 119.896 120.400 -0.158 0.000 2.148 435 K HA 0.033 4.352 4.320 -0.002 0.000 0.204 435 K C 2.219 178.733 176.600 -0.144 0.000 1.050 435 K CA 0.938 57.139 56.287 -0.145 0.000 0.942 435 K CB -0.281 32.155 32.500 -0.107 0.000 0.724 435 K HN 0.447 nan 8.250 nan 0.000 0.446 436 A N 1.567 124.299 122.820 -0.147 0.000 1.930 436 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 436 A C 2.105 179.582 177.584 -0.179 0.000 1.175 436 A CA 0.997 52.943 52.037 -0.153 0.000 0.627 436 A CB -0.458 18.442 19.000 -0.166 0.000 0.815 436 A HN 0.133 nan 8.150 nan 0.000 0.443 437 I N -0.550 119.894 120.570 -0.210 0.000 2.142 437 I HA -0.277 3.892 4.170 -0.002 0.000 0.240 437 I C 2.522 178.529 176.117 -0.183 0.000 1.078 437 I CA 1.779 62.952 61.300 -0.211 0.000 1.343 437 I CB -0.347 37.494 38.000 -0.265 0.000 1.046 437 I HN 0.396 nan 8.210 nan 0.000 0.405 438 E N 0.661 120.729 120.200 -0.221 0.000 2.160 438 E HA -0.240 4.109 4.350 -0.002 0.000 0.195 438 E C 1.957 178.501 176.600 -0.094 0.000 0.991 438 E CA 1.075 57.383 56.400 -0.153 0.000 0.810 438 E CB 0.070 29.656 29.700 -0.190 0.000 0.742 438 E HN 0.438 nan 8.360 nan 0.000 0.466 439 K N -1.160 119.182 120.400 -0.097 0.000 2.365 439 K HA 0.022 4.342 4.320 -0.002 0.000 0.199 439 K C 1.202 177.762 176.600 -0.067 0.000 1.045 439 K CA 0.599 56.842 56.287 -0.073 0.000 0.962 439 K CB 0.415 32.873 32.500 -0.070 0.000 0.759 439 K HN 0.233 nan 8.250 nan 0.000 0.469 440 G N 0.831 109.584 108.800 -0.079 0.000 2.159 440 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.227 440 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.227 440 G C 0.776 175.632 174.900 -0.073 0.000 0.986 440 G CA 0.033 45.094 45.100 -0.065 0.000 0.651 440 G HN 0.082 nan 8.290 nan 0.000 0.523 441 I N 1.715 122.227 120.570 -0.096 0.000 2.072 441 I HA -0.069 4.100 4.170 -0.002 0.000 0.235 441 I C 0.646 176.694 176.117 -0.115 0.000 1.058 441 I CA 2.063 63.309 61.300 -0.091 0.000 1.320 441 I CB -2.343 35.604 38.000 -0.089 0.000 1.047 441 I HN 0.108 nan 8.210 nan 0.000 0.397 442 P HA -0.220 nan 4.420 nan 0.000 0.216 442 P C 1.776 179.012 177.300 -0.106 0.000 1.157 442 P CA 1.895 64.742 63.100 -0.422 0.000 0.880 442 P CB -0.145 31.048 31.700 -0.845 0.000 0.791 443 K N -0.709 119.642 120.400 -0.082 0.000 2.057 443 K HA -0.131 4.188 4.320 -0.002 0.000 0.207 443 K C 2.304 178.898 176.600 -0.009 0.000 1.049 443 K CA 1.466 57.742 56.287 -0.017 0.000 0.931 443 K CB -0.588 31.912 32.500 0.001 0.000 0.714 443 K HN -0.042 nan 8.250 nan 0.000 0.440 444 M N 0.659 120.248 119.600 -0.018 0.000 2.108 444 M HA -0.191 4.288 4.480 -0.002 0.000 0.261 444 M C 1.869 178.168 176.300 -0.002 0.000 1.066 444 M CA 1.623 56.916 55.300 -0.011 0.000 1.107 444 M CB 0.046 32.636 32.600 -0.016 0.000 1.356 444 M HN 0.078 nan 8.290 nan 0.000 0.406 445 R N -0.104 120.405 120.500 0.014 0.000 2.092 445 R HA -0.048 4.291 4.340 -0.002 0.000 0.231 445 R C 2.062 178.358 176.300 -0.007 0.000 1.119 445 R CA 1.564 57.667 56.100 0.005 0.000 0.970 445 R CB -0.602 29.707 30.300 0.015 0.000 0.864 445 R HN 0.463 nan 8.270 nan 0.000 0.440 446 I N 1.078 121.661 120.570 0.022 0.000 2.252 446 I HA -0.211 3.958 4.170 -0.002 0.000 0.245 446 I C 2.067 178.166 176.117 -0.030 0.000 1.102 446 I CA 1.390 62.688 61.300 -0.004 0.000 1.385 446 I CB -0.205 37.810 38.000 0.026 0.000 1.064 446 I HN 0.144 nan 8.210 nan 0.000 0.414 447 E N 0.586 120.775 120.200 -0.018 0.000 2.106 447 E HA -0.220 4.129 4.350 -0.002 0.000 0.192 447 E C 2.039 178.627 176.600 -0.019 0.000 0.984 447 E CA 0.938 57.324 56.400 -0.024 0.000 0.806 447 E CB -0.113 29.575 29.700 -0.019 0.000 0.750 447 E HN 0.494 nan 8.360 nan 0.000 0.458 448 E N 0.758 120.950 120.200 -0.014 0.000 2.058 448 E HA -0.232 4.117 4.350 -0.002 0.000 0.194 448 E C 2.137 178.728 176.600 -0.016 0.000 0.997 448 E CA 1.092 57.488 56.400 -0.008 0.000 0.801 448 E CB -0.131 29.562 29.700 -0.011 0.000 0.746 448 E HN 0.241 nan 8.360 nan 0.000 0.450 449 A N 1.114 123.910 122.820 -0.039 0.000 1.902 449 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 449 A C 2.320 179.862 177.584 -0.069 0.000 1.181 449 A CA 1.771 53.772 52.037 -0.060 0.000 0.623 449 A CB -0.540 18.409 19.000 -0.085 0.000 0.818 449 A HN 0.318 nan 8.150 nan 0.000 0.443 450 A N -0.494 122.281 122.820 -0.076 0.000 1.968 450 A HA 0.297 4.616 4.320 -0.002 0.000 0.217 450 A C 2.397 179.976 177.584 -0.010 0.000 1.169 450 A CA 1.656 53.643 52.037 -0.083 0.000 0.638 450 A CB -0.731 18.208 19.000 -0.101 0.000 0.812 450 A HN 0.960 nan 8.150 nan 0.000 0.446 451 A N -0.240 122.596 122.820 0.026 0.000 1.968 451 A HA -0.058 4.261 4.320 -0.002 0.000 0.217 451 A C 2.208 179.871 177.584 0.132 0.000 1.169 451 A CA 1.174 53.277 52.037 0.110 0.000 0.638 451 A CB -0.377 18.697 19.000 0.124 0.000 0.812 451 A HN 0.512 nan 8.150 nan 0.000 0.446 452 R N -0.739 119.792 120.500 0.052 0.000 2.070 452 R HA -0.101 4.238 4.340 -0.002 0.000 0.233 452 R C 2.318 178.633 176.300 0.025 0.000 1.137 452 R CA 1.944 58.053 56.100 0.015 0.000 0.945 452 R CB -0.840 29.457 30.300 -0.005 0.000 0.845 452 R HN 0.517 nan 8.270 nan 0.000 0.430 453 T N 0.813 115.384 114.554 0.027 0.000 2.635 453 T HA -0.241 4.108 4.350 -0.002 0.000 0.267 453 T C 1.789 176.555 174.700 0.110 0.000 1.040 453 T CA 1.652 63.785 62.100 0.054 0.000 1.156 453 T CB -0.262 68.603 68.868 -0.004 0.000 0.863 453 T HN 0.177 nan 8.240 nan 0.000 0.430 454 Q N 0.661 120.540 119.800 0.132 0.000 2.124 454 Q HA 0.068 4.407 4.340 -0.002 0.000 0.202 454 Q C 2.348 178.481 176.000 0.223 0.000 0.977 454 Q CA 1.569 57.486 55.803 0.190 0.000 0.850 454 Q CB -0.681 28.171 28.738 0.189 0.000 0.901 454 Q HN 0.560 nan 8.270 nan 0.000 0.429 455 A N 0.194 123.090 122.820 0.127 0.000 1.877 455 A HA -0.211 4.108 4.320 -0.002 0.000 0.216 455 A C 2.062 179.602 177.584 -0.073 0.000 1.186 455 A CA 1.519 53.446 52.037 -0.184 0.000 0.620 455 A CB -0.467 18.285 19.000 -0.414 0.000 0.822 455 A HN 0.305 nan 8.150 nan 0.000 0.443 456 R N -0.697 119.800 120.500 -0.004 0.000 2.083 456 R HA -0.129 4.210 4.340 -0.002 0.000 0.237 456 R C 2.052 178.384 176.300 0.054 0.000 1.137 456 R CA 1.840 57.958 56.100 0.030 0.000 0.951 456 R CB -0.559 29.778 30.300 0.062 0.000 0.851 456 R HN 0.606 nan 8.270 nan 0.000 0.434 457 I N 0.947 121.569 120.570 0.087 0.000 2.208 457 I HA -0.287 3.882 4.170 -0.002 0.000 0.245 457 I C 1.565 177.726 176.117 0.073 0.000 1.097 457 I CA 1.324 62.677 61.300 0.089 0.000 1.363 457 I CB -0.274 37.801 38.000 0.125 0.000 1.051 457 I HN 0.117 nan 8.210 nan 0.000 0.413 458 D N 0.035 120.488 120.400 0.088 0.000 2.269 458 D HA -0.079 4.560 4.640 -0.002 0.000 0.208 458 D C 2.067 178.395 176.300 0.046 0.000 0.963 458 D CA 1.461 55.516 54.000 0.091 0.000 0.864 458 D CB -0.044 40.862 40.800 0.177 0.000 0.936 458 D HN 0.381 nan 8.370 nan 0.000 0.505 459 S N -1.122 114.586 115.700 0.013 0.000 2.577 459 S HA 0.371 4.840 4.470 -0.002 0.000 0.219 459 S C 1.552 176.157 174.600 0.008 0.000 0.962 459 S CA 0.334 58.534 58.200 -0.000 0.000 0.921 459 S CB 0.616 63.797 63.200 -0.031 0.000 0.789 459 S HN 0.232 nan 8.310 nan 0.000 0.497 460 G N 1.966 110.775 108.800 0.015 0.000 2.143 460 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.249 460 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.249 460 G C 0.679 175.585 174.900 0.009 0.000 0.981 460 G CA 0.163 45.267 45.100 0.007 0.000 0.665 460 G HN 0.539 nan 8.290 nan 0.000 0.528 461 R N -0.445 120.070 120.500 0.024 0.000 2.393 461 R HA 0.238 4.577 4.340 -0.002 0.000 0.244 461 R C 0.885 177.222 176.300 0.061 0.000 0.920 461 R CA 0.393 56.517 56.100 0.041 0.000 1.076 461 R CB 0.560 30.890 30.300 0.049 0.000 1.119 461 R HN 0.449 nan 8.270 nan 0.000 0.524 462 Q N 1.365 121.197 119.800 0.054 0.000 3.255 462 Q HA 0.256 4.595 4.340 -0.002 0.000 0.231 462 Q C -2.656 173.366 176.000 0.036 0.000 0.935 462 Q CA -2.025 53.820 55.803 0.071 0.000 0.714 462 Q CB 1.435 30.241 28.738 0.115 0.000 1.345 462 Q HN -0.105 nan 8.270 nan 0.000 0.463 463 P HA 0.035 nan 4.420 nan 0.000 0.266 463 P C -1.232 176.052 177.300 -0.027 0.000 1.195 463 P CA -0.234 62.843 63.100 -0.038 0.000 0.768 463 P CB 0.596 32.255 31.700 -0.069 0.000 0.838 464 L N 4.620 125.813 121.223 -0.050 0.000 2.471 464 L HA 0.338 4.677 4.340 -0.002 0.000 0.263 464 L C -0.994 175.844 176.870 -0.053 0.000 0.985 464 L CA -0.680 54.127 54.840 -0.054 0.000 0.868 464 L CB 0.680 42.697 42.059 -0.069 0.000 1.203 464 L HN 0.130 nan 8.230 nan 0.000 0.429 465 I N 5.282 125.834 120.570 -0.030 0.000 2.598 465 I HA 0.374 4.543 4.170 -0.002 0.000 0.284 465 I C 1.522 177.653 176.117 0.023 0.000 1.140 465 I CA 0.912 62.217 61.300 0.008 0.000 1.420 465 I CB 0.028 38.066 38.000 0.064 0.000 1.387 465 I HN 0.879 nan 8.210 nan 0.000 0.553 466 G N 4.506 113.332 108.800 0.043 0.000 2.258 466 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.233 466 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.233 466 G C 0.679 175.593 174.900 0.023 0.000 1.006 466 G CA 0.317 45.447 45.100 0.049 0.000 0.620 466 G HN 0.423 nan 8.290 nan 0.000 0.511 467 V N 1.291 121.203 119.914 -0.005 0.000 2.721 467 V HA 0.158 4.277 4.120 -0.002 0.000 0.236 467 V C 1.951 178.038 176.094 -0.012 0.000 1.116 467 V CA 2.024 64.317 62.300 -0.012 0.000 1.148 467 V CB 0.030 31.832 31.823 -0.035 0.000 0.886 467 V HN 0.625 nan 8.190 nan 0.000 0.490 468 N N -0.013 118.669 118.700 -0.031 0.000 2.171 468 N HA 0.118 4.857 4.740 -0.002 0.000 0.212 468 N C 0.018 175.483 175.510 -0.074 0.000 1.184 468 N CA -0.001 53.030 53.050 -0.032 0.000 0.888 468 N CB 0.642 39.116 38.487 -0.022 0.000 1.038 468 N HN 0.509 nan 8.380 nan 0.000 0.517 469 K N 0.098 120.429 120.400 -0.115 0.000 2.565 469 K HA 0.205 4.524 4.320 -0.002 0.000 0.251 469 K C -1.254 175.211 176.600 -0.225 0.000 0.956 469 K CA -0.506 55.621 56.287 -0.266 0.000 0.809 469 K CB 0.788 33.039 32.500 -0.415 0.000 1.267 469 K HN -0.066 nan 8.250 nan 0.000 0.438 470 Y N -0.266 120.041 120.300 0.012 0.000 3.178 470 Y HA -0.242 4.307 4.550 -0.002 0.000 0.200 470 Y C -0.175 175.733 175.900 0.012 0.000 1.427 470 Y CA 0.249 58.356 58.100 0.011 0.000 1.250 470 Y CB -2.121 36.344 38.460 0.009 0.000 1.421 470 Y HN 0.616 nan 8.280 nan 0.000 0.506 471 R N 0.360 120.934 120.500 0.124 0.000 2.643 471 R HA 0.428 4.767 4.340 -0.002 0.000 0.270 471 R C 0.469 176.819 176.300 0.084 0.000 1.061 471 R CA -0.574 55.574 56.100 0.080 0.000 1.107 471 R CB 0.409 30.742 30.300 0.054 0.000 0.999 471 R HN 0.354 nan 8.270 nan 0.000 0.460 472 L N 2.355 123.616 121.223 0.065 0.000 2.439 472 L HA 0.072 4.411 4.340 -0.002 0.000 0.269 472 L C 2.042 178.936 176.870 0.041 0.000 1.179 472 L CA 0.256 55.127 54.840 0.052 0.000 0.828 472 L CB 0.924 43.009 42.059 0.044 0.000 1.106 472 L HN 0.893 nan 8.230 nan 0.000 0.467 473 E N 1.254 121.474 120.200 0.033 0.000 2.028 473 E HA -0.200 4.150 4.350 -0.002 0.000 0.191 473 E C 2.110 178.723 176.600 0.020 0.000 0.988 473 E CA 1.945 58.361 56.400 0.026 0.000 0.799 473 E CB -1.317 28.395 29.700 0.020 0.000 0.755 473 E HN 0.961 nan 8.360 nan 0.000 0.447 474 H N -0.998 118.083 119.070 0.017 0.000 2.363 474 H HA 0.479 5.034 4.556 -0.002 0.000 0.301 474 H C 1.901 177.237 175.328 0.014 0.000 1.074 474 H CA 2.105 58.161 56.048 0.013 0.000 1.354 474 H CB -1.069 28.698 29.762 0.009 0.000 1.397 474 H HN 1.144 nan 8.280 nan 0.000 0.516 475 E N 1.695 121.907 120.200 0.020 0.000 1.173 475 E HA -0.026 4.323 4.350 -0.002 0.000 0.264 475 E C -1.734 174.871 176.600 0.009 0.000 1.053 475 E CA 0.259 56.671 56.400 0.020 0.000 0.899 475 E CB -2.234 27.480 29.700 0.022 0.000 0.855 475 E HN 0.911 nan 8.360 nan 0.000 0.297 476 P HA 0.398 nan 4.420 nan 0.000 0.274 476 P C -2.011 175.282 177.300 -0.011 0.000 1.237 476 P CA -1.288 61.811 63.100 -0.000 0.000 0.793 476 P CB 0.740 32.444 31.700 0.006 0.000 0.977 477 P HA 0.262 nan 4.420 nan 0.000 0.208 477 P C -0.111 177.168 177.300 -0.034 0.000 1.837 477 P CA -0.310 62.764 63.100 -0.045 0.000 0.953 477 P CB -0.113 31.549 31.700 -0.064 0.000 1.870 478 L N 1.077 122.290 121.223 -0.017 0.000 2.593 478 L HA -0.016 4.323 4.340 -0.002 0.000 0.287 478 L C 0.692 177.554 176.870 -0.013 0.000 1.243 478 L CA 0.661 55.497 54.840 -0.007 0.000 0.890 478 L CB 0.004 42.068 42.059 0.008 0.000 1.134 478 L HN 0.134 nan 8.230 nan 0.000 0.502 479 D N 2.926 123.321 120.400 -0.007 0.000 2.277 479 D HA 0.233 4.872 4.640 -0.002 0.000 0.249 479 D C -0.159 176.144 176.300 0.006 0.000 1.134 479 D CA -0.258 53.738 54.000 -0.007 0.000 0.863 479 D CB 1.596 42.392 40.800 -0.006 0.000 1.143 479 D HN 0.062 nan 8.370 nan 0.000 0.458 480 V N 2.818 122.737 119.914 0.009 0.000 2.649 480 V HA 0.198 4.317 4.120 -0.002 0.000 0.292 480 V C 0.747 176.858 176.094 0.028 0.000 1.055 480 V CA -0.713 61.601 62.300 0.024 0.000 1.023 480 V CB 0.915 32.756 31.823 0.031 0.000 0.992 480 V HN 0.312 nan 8.190 nan 0.000 0.480 481 L N 4.801 126.044 121.223 0.035 0.000 2.334 481 L HA 0.418 4.757 4.340 -0.002 0.000 0.277 481 L C 0.732 177.624 176.870 0.037 0.000 1.075 481 L CA -0.674 54.187 54.840 0.034 0.000 0.804 481 L CB 0.878 42.959 42.059 0.038 0.000 1.174 481 L HN 0.681 nan 8.230 nan 0.000 0.438 482 K N 2.025 122.444 120.400 0.031 0.000 2.451 482 K HA 0.246 4.565 4.320 -0.002 0.000 0.280 482 K C -0.776 175.840 176.600 0.028 0.000 1.020 482 K CA -0.525 55.777 56.287 0.026 0.000 1.008 482 K CB 0.493 33.004 32.500 0.019 0.000 0.917 482 K HN 0.288 nan 8.250 nan 0.000 0.478 483 V N 2.325 122.253 119.914 0.022 0.000 2.385 483 V HA 0.112 4.231 4.120 -0.002 0.000 0.269 483 V C -0.351 175.752 176.094 0.014 0.000 1.043 483 V CA -0.781 61.533 62.300 0.023 0.000 0.906 483 V CB 0.853 32.687 31.823 0.018 0.000 0.995 483 V HN 0.695 nan 8.190 nan 0.000 0.467 484 D N 3.704 124.117 120.400 0.021 0.000 2.329 484 D HA 0.248 4.887 4.640 -0.002 0.000 0.232 484 D C 0.771 177.082 176.300 0.018 0.000 1.088 484 D CA 0.024 54.034 54.000 0.016 0.000 0.835 484 D CB 1.658 42.469 40.800 0.018 0.000 1.078 484 D HN 0.616 nan 8.370 nan 0.000 0.495 485 N N 1.190 119.896 118.700 0.011 0.000 2.278 485 N HA -0.131 4.608 4.740 -0.002 0.000 0.181 485 N C 1.473 176.992 175.510 0.015 0.000 1.023 485 N CA 0.149 53.207 53.050 0.013 0.000 0.862 485 N CB 0.395 38.886 38.487 0.006 0.000 1.003 485 N HN 0.108 nan 8.380 nan 0.000 0.431 486 S N 0.088 115.795 115.700 0.011 0.000 2.472 486 S HA -0.295 4.174 4.470 -0.002 0.000 0.292 486 S C 1.796 176.405 174.600 0.016 0.000 1.175 486 S CA 2.330 60.537 58.200 0.012 0.000 1.249 486 S CB -1.006 62.199 63.200 0.009 0.000 1.208 486 S HN 0.502 nan 8.310 nan 0.000 0.442 487 T N 1.616 116.181 114.554 0.018 0.000 2.652 487 T HA -0.143 4.207 4.350 -0.002 0.000 0.267 487 T C 1.998 176.712 174.700 0.023 0.000 1.039 487 T CA 1.964 64.076 62.100 0.020 0.000 1.153 487 T CB -0.664 68.216 68.868 0.020 0.000 0.863 487 T HN 0.505 nan 8.240 nan 0.000 0.428 488 V N 0.429 120.360 119.914 0.028 0.000 2.515 488 V HA -0.016 4.103 4.120 -0.002 0.000 0.250 488 V C 2.315 178.427 176.094 0.032 0.000 1.058 488 V CA 1.387 63.706 62.300 0.033 0.000 1.064 488 V CB -1.024 30.822 31.823 0.038 0.000 0.675 488 V HN 0.344 nan 8.190 nan 0.000 0.461 489 L N 1.372 122.611 121.223 0.026 0.000 2.156 489 L HA 0.229 4.568 4.340 -0.002 0.000 0.208 489 L C 2.572 179.455 176.870 0.023 0.000 1.095 489 L CA 2.084 56.938 54.840 0.023 0.000 0.770 489 L CB -0.980 41.089 42.059 0.016 0.000 0.914 489 L HN 0.307 nan 8.230 nan 0.000 0.439 490 A N -0.390 122.443 122.820 0.021 0.000 1.855 490 A HA -0.202 4.117 4.320 -0.002 0.000 0.215 490 A C 2.123 179.722 177.584 0.026 0.000 1.191 490 A CA 1.724 53.774 52.037 0.021 0.000 0.613 490 A CB -0.676 18.334 19.000 0.017 0.000 0.829 490 A HN 0.582 nan 8.150 nan 0.000 0.442 491 E N -0.567 119.649 120.200 0.028 0.000 2.265 491 E HA -0.178 4.171 4.350 -0.002 0.000 0.196 491 E C 2.044 178.673 176.600 0.048 0.000 0.996 491 E CA 0.992 57.412 56.400 0.033 0.000 0.832 491 E CB -0.050 29.668 29.700 0.030 0.000 0.756 491 E HN 0.502 nan 8.360 nan 0.000 0.491 492 Q N 0.465 120.295 119.800 0.050 0.000 2.250 492 Q HA 0.028 4.367 4.340 -0.002 0.000 0.200 492 Q C 1.790 177.825 176.000 0.058 0.000 0.941 492 Q CA 0.741 56.580 55.803 0.061 0.000 0.872 492 Q CB 0.123 28.893 28.738 0.054 0.000 0.965 492 Q HN 0.198 nan 8.270 nan 0.000 0.480 493 K N 0.366 120.793 120.400 0.045 0.000 2.097 493 K HA -0.017 4.302 4.320 -0.002 0.000 0.205 493 K C 1.841 178.469 176.600 0.046 0.000 1.050 493 K CA 1.127 57.437 56.287 0.039 0.000 0.938 493 K CB 0.062 32.579 32.500 0.028 0.000 0.718 493 K HN 0.081 nan 8.250 nan 0.000 0.442 494 A N 1.099 123.949 122.820 0.050 0.000 2.072 494 A HA -0.060 4.259 4.320 -0.002 0.000 0.216 494 A C 1.749 179.382 177.584 0.083 0.000 1.156 494 A CA 0.954 53.023 52.037 0.053 0.000 0.701 494 A CB -0.005 19.017 19.000 0.037 0.000 0.816 494 A HN 0.130 nan 8.150 nan 0.000 0.458 495 K N -0.569 119.899 120.400 0.113 0.000 2.243 495 K HA 0.174 4.493 4.320 -0.002 0.000 0.201 495 K C 1.486 178.213 176.600 0.212 0.000 1.051 495 K CA 0.565 56.982 56.287 0.216 0.000 0.970 495 K CB -0.118 32.524 32.500 0.236 0.000 0.755 495 K HN 0.430 nan 8.250 nan 0.000 0.465 496 L N 0.117 121.404 121.223 0.107 0.000 2.209 496 L HA -0.098 4.241 4.340 -0.002 0.000 0.207 496 L C 2.116 179.018 176.870 0.053 0.000 1.094 496 L CA 0.408 55.280 54.840 0.053 0.000 0.790 496 L CB -0.124 41.954 42.059 0.032 0.000 0.932 496 L HN -0.066 nan 8.230 nan 0.000 0.447 497 V N -0.004 119.950 119.914 0.066 0.000 2.244 497 V HA -0.302 3.817 4.120 -0.002 0.000 0.244 497 V C 2.578 178.721 176.094 0.081 0.000 1.042 497 V CA 1.774 64.108 62.300 0.057 0.000 1.006 497 V CB -0.435 31.417 31.823 0.048 0.000 0.641 497 V HN 0.388 nan 8.190 nan 0.000 0.446 498 K N -0.467 120.008 120.400 0.124 0.000 1.991 498 K HA -0.244 4.075 4.320 -0.002 0.000 0.212 498 K C 2.241 178.988 176.600 0.246 0.000 1.049 498 K CA 2.074 58.464 56.287 0.172 0.000 0.932 498 K CB -0.469 32.130 32.500 0.165 0.000 0.717 498 K HN 0.274 nan 8.250 nan 0.000 0.441 499 L N 1.625 123.016 121.223 0.281 0.000 1.997 499 L HA -0.247 4.092 4.340 -0.002 0.000 0.216 499 L C 2.284 179.146 176.870 -0.013 0.000 1.074 499 L CA 1.864 56.686 54.840 -0.029 0.000 0.763 499 L CB -0.329 41.546 42.059 -0.308 0.000 0.890 499 L HN 0.114 nan 8.230 nan 0.000 0.434 500 R N -1.213 119.289 120.500 0.004 0.000 2.285 500 R HA -0.001 4.338 4.340 -0.002 0.000 0.213 500 R C 2.028 178.339 176.300 0.018 0.000 1.068 500 R CA 0.868 56.969 56.100 0.003 0.000 1.004 500 R CB -0.282 30.021 30.300 0.005 0.000 0.873 500 R HN 0.581 nan 8.270 nan 0.000 0.467 501 A N -0.101 122.742 122.820 0.037 0.000 1.997 501 A HA -0.041 4.278 4.320 -0.002 0.000 0.212 501 A C 1.884 179.493 177.584 0.041 0.000 1.178 501 A CA 0.557 52.616 52.037 0.037 0.000 0.698 501 A CB -0.042 18.985 19.000 0.045 0.000 0.842 501 A HN 0.291 nan 8.150 nan 0.000 0.458 502 E N 0.500 120.738 120.200 0.062 0.000 2.076 502 E HA -0.093 4.256 4.350 -0.002 0.000 0.190 502 E C 1.197 177.820 176.600 0.038 0.000 0.979 502 E CA 0.015 56.456 56.400 0.068 0.000 0.807 502 E CB -0.096 29.684 29.700 0.134 0.000 0.761 502 E HN 0.642 nan 8.360 nan 0.000 0.454 503 R N 1.230 121.740 120.500 0.017 0.000 2.637 503 R HA 0.064 4.403 4.340 -0.002 0.000 0.269 503 R C -0.489 175.809 176.300 -0.003 0.000 1.089 503 R CA -0.335 55.763 56.100 -0.003 0.000 1.177 503 R CB 0.432 30.714 30.300 -0.030 0.000 1.091 503 R HN -0.176 nan 8.270 nan 0.000 0.540 504 D N 1.859 122.254 120.400 -0.008 0.000 2.316 504 D HA 0.181 4.821 4.640 -0.002 0.000 0.245 504 D C -1.653 174.639 176.300 -0.014 0.000 1.171 504 D CA -2.547 51.447 54.000 -0.009 0.000 0.856 504 D CB 1.667 42.461 40.800 -0.010 0.000 1.090 504 D HN 0.305 nan 8.370 nan 0.000 0.476 505 P HA -0.092 nan 4.420 nan 0.000 0.216 505 P C 1.136 178.426 177.300 -0.016 0.000 1.153 505 P CA 1.490 64.582 63.100 -0.014 0.000 0.848 505 P CB 0.199 31.893 31.700 -0.010 0.000 0.787 506 E N 1.387 121.577 120.200 -0.016 0.000 2.077 506 E HA -0.233 4.116 4.350 -0.002 0.000 0.193 506 E C 1.922 178.508 176.600 -0.023 0.000 0.989 506 E CA 1.696 58.085 56.400 -0.019 0.000 0.800 506 E CB -1.403 28.286 29.700 -0.018 0.000 0.746 506 E HN 0.368 nan 8.360 nan 0.000 0.452 507 K N -0.099 120.287 120.400 -0.023 0.000 2.097 507 K HA -0.050 4.270 4.320 -0.002 0.000 0.206 507 K C 2.348 178.931 176.600 -0.028 0.000 1.049 507 K CA 1.307 57.579 56.287 -0.026 0.000 0.933 507 K CB -0.125 32.361 32.500 -0.023 0.000 0.717 507 K HN 0.317 nan 8.250 nan 0.000 0.442 508 V N 1.149 121.046 119.914 -0.028 0.000 2.453 508 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 508 V C 2.316 178.393 176.094 -0.028 0.000 1.048 508 V CA 1.821 64.102 62.300 -0.031 0.000 1.049 508 V CB -0.373 31.430 31.823 -0.033 0.000 0.672 508 V HN 0.245 nan 8.190 nan 0.000 0.457 509 K N 0.541 120.926 120.400 -0.025 0.000 2.097 509 K HA -0.024 4.295 4.320 -0.002 0.000 0.205 509 K C 2.261 178.847 176.600 -0.024 0.000 1.050 509 K CA 1.458 57.731 56.287 -0.023 0.000 0.938 509 K CB -0.641 31.847 32.500 -0.020 0.000 0.718 509 K HN 0.613 nan 8.250 nan 0.000 0.442 510 A N 0.579 123.382 122.820 -0.029 0.000 1.873 510 A HA 0.170 4.489 4.320 -0.002 0.000 0.215 510 A C 2.574 180.140 177.584 -0.031 0.000 1.186 510 A CA 1.912 53.928 52.037 -0.035 0.000 0.616 510 A CB -1.206 17.768 19.000 -0.043 0.000 0.823 510 A HN 0.698 nan 8.150 nan 0.000 0.442 511 A N -0.059 122.744 122.820 -0.029 0.000 1.883 511 A HA -0.084 4.235 4.320 -0.002 0.000 0.217 511 A C 2.161 179.733 177.584 -0.020 0.000 1.186 511 A CA 1.610 53.632 52.037 -0.025 0.000 0.624 511 A CB -0.719 18.262 19.000 -0.032 0.000 0.822 511 A HN 0.479 nan 8.150 nan 0.000 0.444 512 L N -0.575 120.634 121.223 -0.024 0.000 2.083 512 L HA -0.194 4.145 4.340 -0.002 0.000 0.209 512 L C 1.867 178.730 176.870 -0.012 0.000 1.083 512 L CA 1.457 56.283 54.840 -0.024 0.000 0.752 512 L CB -0.630 41.413 42.059 -0.027 0.000 0.899 512 L HN 0.258 nan 8.230 nan 0.000 0.433 513 D N -0.061 120.337 120.400 -0.003 0.000 2.224 513 D HA -0.106 4.534 4.640 -0.002 0.000 0.205 513 D C 2.146 178.491 176.300 0.075 0.000 0.965 513 D CA 0.841 54.852 54.000 0.019 0.000 0.852 513 D CB 0.038 40.839 40.800 0.002 0.000 0.947 513 D HN 0.265 nan 8.370 nan 0.000 0.494 514 K N 0.061 120.506 120.400 0.075 0.000 2.155 514 K HA 0.008 4.327 4.320 -0.002 0.000 0.203 514 K C 2.060 178.785 176.600 0.209 0.000 1.052 514 K CA 0.506 56.909 56.287 0.193 0.000 0.948 514 K CB 0.120 32.693 32.500 0.121 0.000 0.728 514 K HN 0.158 nan 8.250 nan 0.000 0.448 515 I N 1.042 121.649 120.570 0.062 0.000 2.252 515 I HA -0.259 3.910 4.170 -0.002 0.000 0.245 515 I C 2.122 178.183 176.117 -0.093 0.000 1.102 515 I CA 1.307 62.591 61.300 -0.027 0.000 1.385 515 I CB -0.458 37.501 38.000 -0.068 0.000 1.064 515 I HN 0.146 nan 8.210 nan 0.000 0.414 516 T N -0.226 114.287 114.554 -0.068 0.000 2.684 516 T HA -0.264 4.085 4.350 -0.002 0.000 0.267 516 T C 1.372 176.024 174.700 -0.080 0.000 1.036 516 T CA 1.591 63.624 62.100 -0.112 0.000 1.148 516 T CB -0.571 68.261 68.868 -0.059 0.000 0.863 516 T HN 0.535 nan 8.240 nan 0.000 0.436 517 W N 2.444 123.682 121.300 -0.104 0.000 2.301 517 W HA -0.201 4.458 4.660 -0.002 0.000 0.325 517 W C 2.623 179.095 176.519 -0.080 0.000 1.250 517 W CA 1.587 58.885 57.345 -0.078 0.000 1.261 517 W CB -0.874 28.550 29.460 -0.059 0.000 1.157 517 W HN 0.233 nan 8.180 nan 0.000 0.473 518 A N 0.318 122.875 122.820 -0.438 0.000 2.015 518 A HA 0.082 4.401 4.320 -0.002 0.000 0.219 518 A C 2.066 179.404 177.584 -0.409 0.000 1.163 518 A CA 2.251 53.911 52.037 -0.629 0.000 0.646 518 A CB -1.408 17.416 19.000 -0.294 0.000 0.806 518 A HN 0.494 nan 8.150 nan 0.000 0.448 519 A N -0.438 122.177 122.820 -0.341 0.000 1.898 519 A HA 0.172 4.491 4.320 -0.002 0.000 0.216 519 A C 2.329 179.744 177.584 -0.281 0.000 1.181 519 A CA 1.698 53.511 52.037 -0.374 0.000 0.620 519 A CB -1.190 17.310 19.000 -0.833 0.000 0.819 519 A HN 0.693 nan 8.150 nan 0.000 0.442 520 G N -0.993 107.631 108.800 -0.293 0.000 2.484 520 G HA2 -0.060 3.900 3.960 -0.002 0.000 0.218 520 G HA3 -0.060 3.900 3.960 -0.002 0.000 0.218 520 G C 0.605 175.361 174.900 -0.240 0.000 1.130 520 G CA 0.340 45.316 45.100 -0.207 0.000 0.784 520 G HN 0.471 nan 8.290 nan 0.000 0.543 521 N N 1.283 119.729 118.700 -0.423 0.000 2.886 521 N HA 0.229 4.968 4.740 -0.002 0.000 0.285 521 N C -2.917 172.340 175.510 -0.422 0.000 1.706 521 N CA -0.839 51.944 53.050 -0.446 0.000 0.904 521 N CB 2.054 40.105 38.487 -0.726 0.000 1.224 521 N HN 0.203 nan 8.380 nan 0.000 0.488 522 P HA 0.184 nan 4.420 nan 0.000 0.272 522 P C -0.567 176.650 177.300 -0.139 0.000 1.230 522 P CA 0.240 63.234 63.100 -0.177 0.000 0.788 522 P CB 1.024 32.668 31.700 -0.094 0.000 0.949 523 D N 0.414 120.752 120.400 -0.103 0.000 2.400 523 D HA 0.051 4.690 4.640 -0.002 0.000 0.197 523 D C -0.305 175.975 176.300 -0.033 0.000 1.295 523 D CA -0.280 53.686 54.000 -0.056 0.000 0.878 523 D CB 0.270 41.043 40.800 -0.045 0.000 1.659 523 D HN 0.277 nan 8.370 nan 0.000 0.546 524 D N 1.346 121.736 120.400 -0.018 0.000 2.328 524 D HA 0.021 4.660 4.640 -0.002 0.000 0.221 524 D C 0.629 176.936 176.300 0.011 0.000 1.072 524 D CA -0.050 53.949 54.000 -0.003 0.000 0.850 524 D CB 0.292 41.090 40.800 -0.002 0.000 0.922 524 D HN 0.051 nan 8.370 nan 0.000 0.516 525 K N -0.110 120.297 120.400 0.012 0.000 2.387 525 K HA 0.106 4.425 4.320 -0.002 0.000 0.198 525 K C -0.272 176.344 176.600 0.026 0.000 1.022 525 K CA 0.003 56.301 56.287 0.018 0.000 1.128 525 K CB 0.086 32.594 32.500 0.015 0.000 0.853 525 K HN 0.310 nan 8.250 nan 0.000 0.523 526 D N 0.025 120.443 120.400 0.030 0.000 2.505 526 D HA 0.312 4.951 4.640 -0.002 0.000 0.250 526 D C -2.204 174.128 176.300 0.054 0.000 1.164 526 D CA -2.423 51.604 54.000 0.046 0.000 0.870 526 D CB 2.026 42.862 40.800 0.059 0.000 1.160 526 D HN -0.118 nan 8.370 nan 0.000 0.549 527 P HA 0.030 nan 4.420 nan 0.000 0.225 527 P C 0.549 177.907 177.300 0.097 0.000 1.156 527 P CA 0.508 63.653 63.100 0.076 0.000 0.787 527 P CB 0.447 32.184 31.700 0.061 0.000 0.802 528 D N -0.597 119.861 120.400 0.096 0.000 2.312 528 D HA -0.076 4.563 4.640 -0.002 0.000 0.211 528 D C 1.877 178.265 176.300 0.147 0.000 0.964 528 D CA 0.619 54.686 54.000 0.111 0.000 0.877 528 D CB 0.010 40.873 40.800 0.104 0.000 0.924 528 D HN 0.193 nan 8.370 nan 0.000 0.515 529 R N 0.891 121.478 120.500 0.146 0.000 2.240 529 R HA -0.006 4.333 4.340 -0.002 0.000 0.203 529 R C 0.927 177.242 176.300 0.025 0.000 1.011 529 R CA -0.156 56.004 56.100 0.100 0.000 1.007 529 R CB 0.132 30.437 30.300 0.009 0.000 0.911 529 R HN 0.029 nan 8.270 nan 0.000 0.468 530 N N 1.185 119.913 118.700 0.046 0.000 2.356 530 N HA -0.126 4.613 4.740 -0.002 0.000 0.252 530 N C 0.825 176.323 175.510 -0.020 0.000 1.241 530 N CA 0.286 53.354 53.050 0.030 0.000 0.861 530 N CB 0.749 39.300 38.487 0.107 0.000 1.075 530 N HN 0.142 nan 8.380 nan 0.000 0.461 531 L N 3.330 124.524 121.223 -0.048 0.000 2.156 531 L HA -0.136 4.203 4.340 -0.002 0.000 0.208 531 L C 2.266 179.059 176.870 -0.129 0.000 1.095 531 L CA 0.389 55.181 54.840 -0.079 0.000 0.770 531 L CB -0.355 41.662 42.059 -0.069 0.000 0.914 531 L HN 0.529 nan 8.230 nan 0.000 0.439 532 L N 0.226 121.342 121.223 -0.178 0.000 2.056 532 L HA -0.179 4.160 4.340 -0.002 0.000 0.207 532 L C 2.566 179.158 176.870 -0.462 0.000 1.078 532 L CA 1.795 56.437 54.840 -0.331 0.000 0.749 532 L CB -0.772 41.045 42.059 -0.404 0.000 0.901 532 L HN 0.114 nan 8.230 nan 0.000 0.433 533 K N -0.142 119.990 120.400 -0.446 0.000 2.044 533 K HA -0.199 4.120 4.320 -0.002 0.000 0.210 533 K C 2.090 178.609 176.600 -0.134 0.000 1.049 533 K CA 2.196 58.324 56.287 -0.264 0.000 0.927 533 K CB -0.463 32.044 32.500 0.011 0.000 0.713 533 K HN 0.456 nan 8.250 nan 0.000 0.443 534 L N 0.075 121.247 121.223 -0.086 0.000 2.217 534 L HA -0.185 4.154 4.340 -0.002 0.000 0.211 534 L C 2.741 179.565 176.870 -0.077 0.000 1.107 534 L CA 0.603 55.414 54.840 -0.049 0.000 0.783 534 L CB -0.318 41.738 42.059 -0.004 0.000 0.919 534 L HN 0.226 nan 8.230 nan 0.000 0.442 535 C N -0.007 119.223 119.300 -0.116 0.000 2.453 535 C HA -0.101 4.358 4.460 -0.002 0.000 0.277 535 C C 2.712 177.631 174.990 -0.119 0.000 1.262 535 C CA 0.219 59.169 59.018 -0.113 0.000 1.718 535 C CB -0.494 27.171 27.740 -0.125 0.000 2.031 535 C HN 0.412 nan 8.230 nan 0.000 0.480 536 I N 1.635 122.108 120.570 -0.161 0.000 2.087 536 I HA -0.291 3.878 4.170 -0.002 0.000 0.240 536 I C 2.148 178.210 176.117 -0.092 0.000 1.054 536 I CA 1.913 63.126 61.300 -0.144 0.000 1.311 536 I CB -0.679 37.208 38.000 -0.188 0.000 1.024 536 I HN 0.356 nan 8.210 nan 0.000 0.402 537 D N 1.049 121.405 120.400 -0.073 0.000 2.123 537 D HA -0.175 4.464 4.640 -0.002 0.000 0.196 537 D C 2.224 178.495 176.300 -0.049 0.000 0.992 537 D CA 1.630 55.601 54.000 -0.049 0.000 0.833 537 D CB -0.382 40.398 40.800 -0.032 0.000 0.954 537 D HN 0.425 nan 8.370 nan 0.000 0.455 538 A N 0.960 123.748 122.820 -0.054 0.000 1.902 538 A HA -0.049 4.270 4.320 -0.002 0.000 0.217 538 A C 2.430 179.979 177.584 -0.057 0.000 1.181 538 A CA 2.130 54.136 52.037 -0.052 0.000 0.623 538 A CB -1.173 17.795 19.000 -0.053 0.000 0.818 538 A HN 0.313 nan 8.150 nan 0.000 0.443 539 G N -0.799 107.962 108.800 -0.064 0.000 2.442 539 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.219 539 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.219 539 G C 1.741 176.607 174.900 -0.057 0.000 1.141 539 G CA 1.079 46.141 45.100 -0.063 0.000 0.763 539 G HN 0.553 nan 8.290 nan 0.000 0.554 540 R N 0.291 120.760 120.500 -0.052 0.000 2.193 540 R HA 0.225 4.564 4.340 -0.002 0.000 0.213 540 R C 2.622 178.900 176.300 -0.036 0.000 1.055 540 R CA 0.911 56.987 56.100 -0.041 0.000 0.995 540 R CB -0.152 30.126 30.300 -0.037 0.000 0.893 540 R HN 0.291 nan 8.270 nan 0.000 0.459 541 A N -0.058 122.737 122.820 -0.041 0.000 2.167 541 A HA 0.067 4.386 4.320 -0.002 0.000 0.214 541 A C 0.987 178.542 177.584 -0.049 0.000 1.151 541 A CA 0.802 52.816 52.037 -0.039 0.000 0.735 541 A CB -0.068 18.909 19.000 -0.037 0.000 0.802 541 A HN 0.504 nan 8.150 nan 0.000 0.467 542 M N -2.850 116.711 119.600 -0.066 0.000 2.998 542 M HA -0.144 4.335 4.480 -0.002 0.000 0.230 542 M C 0.301 176.543 176.300 -0.098 0.000 0.508 542 M CA 0.174 55.414 55.300 -0.099 0.000 0.836 542 M CB -2.022 30.512 32.600 -0.111 0.000 3.012 542 M HN 0.562 nan 8.290 nan 0.000 0.467 543 A N 0.608 123.383 122.820 -0.075 0.000 2.386 543 A HA 0.649 4.968 4.320 -0.002 0.000 0.248 543 A C 0.849 178.388 177.584 -0.074 0.000 1.082 543 A CA 0.568 52.565 52.037 -0.066 0.000 0.789 543 A CB 0.344 19.311 19.000 -0.055 0.000 1.025 543 A HN 0.529 nan 8.150 nan 0.000 0.490 544 T N -1.212 113.305 114.554 -0.062 0.000 2.881 544 T HA 0.397 4.746 4.350 -0.002 0.000 0.278 544 T C 1.181 175.854 174.700 -0.046 0.000 0.982 544 T CA -0.139 61.928 62.100 -0.055 0.000 0.989 544 T CB 0.859 69.703 68.868 -0.040 0.000 1.058 544 T HN 0.405 nan 8.240 nan 0.000 0.529 545 V N 1.837 121.727 119.914 -0.041 0.000 2.287 545 V HA -0.064 4.055 4.120 -0.002 0.000 0.248 545 V C 2.907 178.969 176.094 -0.054 0.000 1.053 545 V CA 2.509 64.779 62.300 -0.051 0.000 1.027 545 V CB -1.596 30.195 31.823 -0.053 0.000 0.646 545 V HN 1.120 nan 8.190 nan 0.000 0.447 546 G N -0.810 107.968 108.800 -0.038 0.000 2.421 546 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.216 546 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.216 546 G C 1.469 176.353 174.900 -0.027 0.000 1.171 546 G CA 0.931 46.011 45.100 -0.034 0.000 0.775 546 G HN 0.565 nan 8.290 nan 0.000 0.543 547 E N -0.136 120.051 120.200 -0.022 0.000 2.085 547 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 547 E C 2.640 179.222 176.600 -0.029 0.000 0.994 547 E CA 1.134 57.520 56.400 -0.023 0.000 0.801 547 E CB -0.185 29.499 29.700 -0.027 0.000 0.743 547 E HN 0.449 nan 8.360 nan 0.000 0.453 548 M N 0.088 119.665 119.600 -0.037 0.000 2.175 548 M HA -0.110 4.369 4.480 -0.002 0.000 0.264 548 M C 2.392 178.679 176.300 -0.022 0.000 1.063 548 M CA 0.916 56.191 55.300 -0.041 0.000 1.119 548 M CB 0.011 32.581 32.600 -0.051 0.000 1.377 548 M HN -0.035 nan 8.290 nan 0.000 0.415 549 S N 0.661 116.357 115.700 -0.007 0.000 2.368 549 S HA -0.132 4.337 4.470 -0.002 0.000 0.224 549 S C 1.342 175.985 174.600 0.071 0.000 1.029 549 S CA 1.358 59.593 58.200 0.058 0.000 0.988 549 S CB -0.400 62.769 63.200 -0.051 0.000 0.838 549 S HN 0.428 nan 8.310 nan 0.000 0.462 550 D N 1.880 122.285 120.400 0.008 0.000 2.178 550 D HA 0.008 4.648 4.640 -0.002 0.000 0.201 550 D C 1.952 178.248 176.300 -0.006 0.000 0.980 550 D CA 1.091 55.098 54.000 0.012 0.000 0.842 550 D CB -0.395 40.407 40.800 0.003 0.000 0.948 550 D HN 0.413 nan 8.370 nan 0.000 0.472 551 A N 0.179 122.978 122.820 -0.035 0.000 1.968 551 A HA -0.014 4.306 4.320 -0.002 0.000 0.217 551 A C 2.252 179.740 177.584 -0.160 0.000 1.169 551 A CA 0.556 52.547 52.037 -0.077 0.000 0.638 551 A CB -0.515 18.446 19.000 -0.066 0.000 0.812 551 A HN 0.184 nan 8.150 nan 0.000 0.446 552 L N -0.962 120.150 121.223 -0.184 0.000 2.109 552 L HA -0.125 4.214 4.340 -0.002 0.000 0.207 552 L C 2.546 179.207 176.870 -0.349 0.000 1.086 552 L CA 1.547 56.135 54.840 -0.421 0.000 0.760 552 L CB -0.395 41.427 42.059 -0.395 0.000 0.910 552 L HN 0.531 nan 8.230 nan 0.000 0.437 553 E N 0.319 120.559 120.200 0.066 0.000 2.153 553 E HA -0.227 4.122 4.350 -0.002 0.000 0.194 553 E C 2.050 178.690 176.600 0.067 0.000 0.988 553 E CA 0.904 57.435 56.400 0.218 0.000 0.811 553 E CB 0.249 30.068 29.700 0.197 0.000 0.746 553 E HN 0.262 nan 8.360 nan 0.000 0.466 554 K N 0.100 120.483 120.400 -0.029 0.000 2.020 554 K HA -0.170 4.149 4.320 -0.002 0.000 0.212 554 K C 2.181 178.740 176.600 -0.069 0.000 1.050 554 K CA 1.454 57.715 56.287 -0.044 0.000 0.929 554 K CB -0.561 31.898 32.500 -0.069 0.000 0.714 554 K HN 0.157 nan 8.250 nan 0.000 0.443 555 V N 0.422 120.222 119.914 -0.190 0.000 2.379 555 V HA -0.139 3.980 4.120 -0.002 0.000 0.243 555 V C 2.168 178.271 176.094 0.015 0.000 1.035 555 V CA 1.363 63.560 62.300 -0.171 0.000 1.035 555 V CB -0.484 31.108 31.823 -0.384 0.000 0.673 555 V HN 0.034 nan 8.190 nan 0.000 0.457 556 F N 0.900 120.843 119.950 -0.011 0.000 2.335 556 F HA 0.479 5.005 4.527 -0.002 0.000 0.296 556 F C 1.562 177.438 175.800 0.127 0.000 1.091 556 F CA 0.416 58.437 58.000 0.034 0.000 1.399 556 F CB -1.136 37.850 39.000 -0.024 0.000 1.067 556 F HN 0.293 nan 8.300 nan 0.000 0.520 557 G N 0.791 109.787 108.800 0.327 0.000 2.712 557 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.686 557 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.686 557 G C -0.433 174.648 174.900 0.302 0.000 1.321 557 G CA -1.012 44.239 45.100 0.253 0.000 0.813 557 G HN 0.266 nan 8.290 nan 0.000 0.599 558 R N 0.079 120.705 120.500 0.210 0.000 2.254 558 R HA 0.383 4.722 4.340 -0.002 0.000 0.318 558 R C 0.037 176.497 176.300 0.266 0.000 1.031 558 R CA -0.685 55.523 56.100 0.179 0.000 0.905 558 R CB 0.812 31.178 30.300 0.111 0.000 1.050 558 R HN 0.569 nan 8.270 nan 0.000 0.456 559 Y N 2.375 122.776 120.300 0.169 0.000 2.497 559 Y HA -0.009 4.540 4.550 -0.002 0.000 0.334 559 Y C 0.069 176.087 175.900 0.195 0.000 1.199 559 Y CA -0.071 58.116 58.100 0.144 0.000 1.425 559 Y CB 0.828 39.344 38.460 0.092 0.000 1.291 559 Y HN 0.537 nan 8.280 nan 0.000 0.562 560 T N 3.688 118.062 114.554 -0.299 0.000 2.892 560 T HA 0.768 5.117 4.350 -0.002 0.000 0.311 560 T C -0.360 173.952 174.700 -0.647 0.000 1.033 560 T CA -0.667 61.269 62.100 -0.273 0.000 0.991 560 T CB 0.418 69.230 68.868 -0.093 0.000 0.981 560 T HN 0.903 nan 8.240 nan 0.000 0.457 561 A N 3.155 125.594 122.820 -0.635 0.000 2.511 561 A HA 0.377 4.696 4.320 -0.002 0.000 0.242 561 A C 0.590 178.005 177.584 -0.281 0.000 1.069 561 A CA -0.378 51.313 52.037 -0.576 0.000 0.763 561 A CB 0.033 18.914 19.000 -0.200 0.000 1.001 561 A HN 0.921 nan 8.150 nan 0.000 0.498 562 Q N 1.884 121.557 119.800 -0.212 0.000 2.293 562 Q HA 0.312 4.652 4.340 -0.002 0.000 0.263 562 Q C -0.553 175.401 176.000 -0.077 0.000 1.002 562 Q CA -0.201 55.533 55.803 -0.114 0.000 0.910 562 Q CB 0.346 29.037 28.738 -0.078 0.000 1.185 562 Q HN 0.579 nan 8.270 nan 0.000 0.401 563 I N 5.779 126.310 120.570 -0.066 0.000 2.436 563 I HA 0.133 4.302 4.170 -0.002 0.000 0.289 563 I C -0.055 176.039 176.117 -0.040 0.000 1.083 563 I CA 0.328 61.597 61.300 -0.052 0.000 1.372 563 I CB 0.162 38.131 38.000 -0.052 0.000 1.408 563 I HN 0.736 nan 8.210 nan 0.000 0.516 564 R N 4.029 124.509 120.500 -0.034 0.000 2.607 564 R HA 0.355 4.694 4.340 -0.002 0.000 0.278 564 R C -0.628 175.658 176.300 -0.023 0.000 1.637 564 R CA -0.578 55.506 56.100 -0.026 0.000 1.325 564 R CB 0.640 30.924 30.300 -0.025 0.000 1.211 564 R HN 0.407 nan 8.270 nan 0.000 0.565 565 T N 4.177 118.718 114.554 -0.022 0.000 2.832 565 T HA 0.269 4.618 4.350 -0.002 0.000 0.296 565 T C 1.202 175.896 174.700 -0.010 0.000 0.968 565 T CA -0.607 61.481 62.100 -0.021 0.000 1.107 565 T CB 0.757 69.610 68.868 -0.025 0.000 0.916 565 T HN 0.494 nan 8.240 nan 0.000 0.517 566 I N 0.215 120.781 120.570 -0.008 0.000 3.138 566 I HA 0.624 4.793 4.170 -0.002 0.000 0.288 566 I C 0.254 176.378 176.117 0.013 0.000 1.148 566 I CA -0.388 60.914 61.300 0.003 0.000 1.315 566 I CB 0.869 38.872 38.000 0.005 0.000 1.426 566 I HN 0.494 nan 8.210 nan 0.000 0.615 567 S N 1.675 117.389 115.700 0.022 0.000 2.548 567 S HA 0.628 5.097 4.470 -0.002 0.000 0.276 567 S C 0.298 174.924 174.600 0.044 0.000 1.129 567 S CA 0.157 58.377 58.200 0.033 0.000 0.931 567 S CB 1.184 64.400 63.200 0.026 0.000 1.068 567 S HN 1.567 nan 8.310 nan 0.000 0.480 568 G N 2.340 111.178 108.800 0.064 0.000 2.245 568 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.264 568 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.264 568 G C 0.884 175.823 174.900 0.065 0.000 0.985 568 G CA 0.652 45.791 45.100 0.064 0.000 0.625 568 G HN 0.948 nan 8.290 nan 0.000 0.536 569 V N -0.087 119.869 119.914 0.070 0.000 2.323 569 V HA -0.106 4.013 4.120 -0.002 0.000 0.244 569 V C 2.093 178.235 176.094 0.081 0.000 1.041 569 V CA 2.428 64.763 62.300 0.059 0.000 1.025 569 V CB -0.832 31.021 31.823 0.050 0.000 0.656 569 V HN 0.528 nan 8.190 nan 0.000 0.451 570 Y N 1.291 121.594 120.300 0.006 0.000 2.070 570 Y HA -0.315 4.234 4.550 -0.002 0.000 0.280 570 Y C 3.018 178.928 175.900 0.017 0.000 1.148 570 Y CA 2.263 60.370 58.100 0.012 0.000 1.125 570 Y CB -0.581 37.887 38.460 0.015 0.000 0.975 570 Y HN 0.237 nan 8.280 nan 0.000 0.492 571 S N 0.023 115.806 115.700 0.140 0.000 2.365 571 S HA -0.305 4.164 4.470 -0.002 0.000 0.225 571 S C 2.255 176.834 174.600 -0.036 0.000 1.039 571 S CA 1.935 60.160 58.200 0.042 0.000 1.033 571 S CB -0.655 62.609 63.200 0.106 0.000 0.887 571 S HN 0.574 nan 8.310 nan 0.000 0.447 572 K N 0.266 120.657 120.400 -0.014 0.000 2.044 572 K HA -0.205 4.114 4.320 -0.002 0.000 0.210 572 K C 2.258 178.822 176.600 -0.060 0.000 1.049 572 K CA 2.009 58.281 56.287 -0.026 0.000 0.927 572 K CB -0.320 32.176 32.500 -0.006 0.000 0.713 572 K HN 0.477 nan 8.250 nan 0.000 0.443 573 E N 0.067 120.210 120.200 -0.095 0.000 2.112 573 E HA -0.089 4.260 4.350 -0.002 0.000 0.190 573 E C 1.791 178.291 176.600 -0.166 0.000 0.979 573 E CA 0.616 56.950 56.400 -0.111 0.000 0.814 573 E CB -0.034 29.605 29.700 -0.102 0.000 0.762 573 E HN 0.107 nan 8.360 nan 0.000 0.460 574 V N 0.004 119.736 119.914 -0.304 0.000 2.343 574 V HA -0.215 3.904 4.120 -0.002 0.000 0.247 574 V C 0.968 176.973 176.094 -0.149 0.000 1.051 574 V CA 2.130 64.243 62.300 -0.311 0.000 1.036 574 V CB -0.343 31.129 31.823 -0.585 0.000 0.654 574 V HN 0.469 nan 8.190 nan 0.000 0.451 575 K N -0.794 119.542 120.400 -0.107 0.000 3.126 575 K HA -0.280 4.039 4.320 -0.002 0.000 0.255 575 K C 0.373 176.952 176.600 -0.034 0.000 1.579 575 K CA 1.456 57.712 56.287 -0.052 0.000 0.540 575 K CB -1.093 31.385 32.500 -0.038 0.000 0.812 575 K HN 0.504 nan 8.250 nan 0.000 0.690 576 N N 1.205 119.894 118.700 -0.018 0.000 2.690 576 N HA 0.147 4.886 4.740 -0.002 0.000 0.255 576 N C -1.159 174.351 175.510 0.001 0.000 1.195 576 N CA 0.270 53.318 53.050 -0.004 0.000 0.790 576 N CB 0.880 39.368 38.487 0.002 0.000 1.216 576 N HN 0.517 nan 8.380 nan 0.000 0.528 577 T N -0.010 114.547 114.554 0.004 0.000 2.816 577 T HA 0.359 4.708 4.350 -0.002 0.000 0.282 577 T C -1.629 173.081 174.700 0.017 0.000 0.993 577 T CA -1.170 60.936 62.100 0.011 0.000 0.994 577 T CB 1.317 70.194 68.868 0.015 0.000 1.025 577 T HN 0.143 nan 8.240 nan 0.000 0.529 578 P HA -0.035 nan 4.420 nan 0.000 0.216 578 P C 1.172 178.486 177.300 0.023 0.000 1.150 578 P CA 1.043 64.154 63.100 0.019 0.000 0.837 578 P CB 0.041 31.752 31.700 0.018 0.000 0.786 579 E N -0.718 119.500 120.200 0.029 0.000 2.106 579 E HA -0.093 4.256 4.350 -0.002 0.000 0.192 579 E C 2.043 178.668 176.600 0.041 0.000 0.984 579 E CA 0.746 57.167 56.400 0.035 0.000 0.806 579 E CB -1.130 28.595 29.700 0.042 0.000 0.750 579 E HN 0.000 nan 8.360 nan 0.000 0.458 580 V N 1.112 121.055 119.914 0.048 0.000 2.261 580 V HA -0.292 3.827 4.120 -0.002 0.000 0.246 580 V C 2.563 178.681 176.094 0.040 0.000 1.047 580 V CA 2.466 64.801 62.300 0.059 0.000 1.015 580 V CB -1.144 30.715 31.823 0.060 0.000 0.642 580 V HN 0.498 nan 8.190 nan 0.000 0.446 581 E N -0.067 120.150 120.200 0.028 0.000 2.077 581 E HA -0.317 4.032 4.350 -0.002 0.000 0.193 581 E C 2.121 178.730 176.600 0.015 0.000 0.989 581 E CA 1.658 58.070 56.400 0.020 0.000 0.800 581 E CB -0.623 29.086 29.700 0.016 0.000 0.746 581 E HN 0.788 nan 8.360 nan 0.000 0.452 582 E N -0.301 119.908 120.200 0.016 0.000 2.017 582 E HA -0.080 4.269 4.350 -0.002 0.000 0.193 582 E C 2.447 179.051 176.600 0.007 0.000 0.997 582 E CA 1.114 57.521 56.400 0.012 0.000 0.804 582 E CB -0.298 29.412 29.700 0.016 0.000 0.757 582 E HN 0.468 nan 8.360 nan 0.000 0.448 583 A N 1.502 124.328 122.820 0.009 0.000 1.948 583 A HA -0.227 4.092 4.320 -0.002 0.000 0.220 583 A C 2.161 179.738 177.584 -0.013 0.000 1.177 583 A CA 1.614 53.650 52.037 -0.002 0.000 0.636 583 A CB -0.581 18.422 19.000 0.004 0.000 0.815 583 A HN 0.224 nan 8.150 nan 0.000 0.449 584 R N -0.437 120.064 120.500 0.002 0.000 2.081 584 R HA -0.154 4.185 4.340 -0.002 0.000 0.235 584 R C 2.058 178.347 176.300 -0.020 0.000 1.131 584 R CA 1.607 57.704 56.100 -0.006 0.000 0.960 584 R CB -0.442 29.866 30.300 0.013 0.000 0.856 584 R HN 0.711 nan 8.270 nan 0.000 0.436 585 E N 0.818 121.011 120.200 -0.011 0.000 2.077 585 E HA -0.149 4.200 4.350 -0.002 0.000 0.193 585 E C 2.155 178.744 176.600 -0.017 0.000 0.989 585 E CA 0.979 57.373 56.400 -0.010 0.000 0.800 585 E CB -0.112 29.586 29.700 -0.003 0.000 0.746 585 E HN 0.261 nan 8.360 nan 0.000 0.452 586 L N 0.438 121.646 121.223 -0.025 0.000 2.083 586 L HA -0.178 4.161 4.340 -0.002 0.000 0.209 586 L C 2.460 179.291 176.870 -0.065 0.000 1.083 586 L CA 0.631 55.453 54.840 -0.030 0.000 0.752 586 L CB -0.369 41.671 42.059 -0.031 0.000 0.899 586 L HN 0.061 nan 8.230 nan 0.000 0.433 587 V N -0.320 119.513 119.914 -0.136 0.000 2.270 587 V HA -0.274 3.846 4.120 -0.002 0.000 0.245 587 V C 2.634 178.673 176.094 -0.091 0.000 1.043 587 V CA 1.999 64.156 62.300 -0.239 0.000 1.014 587 V CB -0.298 31.346 31.823 -0.299 0.000 0.645 587 V HN 0.381 nan 8.190 nan 0.000 0.447 588 E N -0.940 119.231 120.200 -0.048 0.000 2.110 588 E HA -0.256 4.093 4.350 -0.002 0.000 0.193 588 E C 2.161 178.764 176.600 0.004 0.000 0.988 588 E CA 1.233 57.625 56.400 -0.013 0.000 0.804 588 E CB -0.343 29.350 29.700 -0.012 0.000 0.745 588 E HN 0.763 nan 8.360 nan 0.000 0.458 589 E N -1.004 119.199 120.200 0.005 0.000 2.085 589 E HA -0.178 4.171 4.350 -0.002 0.000 0.194 589 E C 1.886 178.497 176.600 0.017 0.000 0.994 589 E CA 1.295 57.699 56.400 0.005 0.000 0.801 589 E CB -0.276 29.427 29.700 0.005 0.000 0.743 589 E HN 0.404 nan 8.360 nan 0.000 0.453 590 F N 1.881 121.760 119.950 -0.118 0.000 2.046 590 F HA -0.243 4.283 4.527 -0.002 0.000 0.297 590 F C 2.353 178.085 175.800 -0.114 0.000 1.123 590 F CA 2.162 60.077 58.000 -0.142 0.000 1.199 590 F CB -0.324 38.542 39.000 -0.223 0.000 0.972 590 F HN -0.040 nan 8.300 nan 0.000 0.474 591 E N -0.224 120.070 120.200 0.157 0.000 2.068 591 E HA -0.363 3.986 4.350 -0.002 0.000 0.207 591 E C 2.249 178.832 176.600 -0.028 0.000 1.032 591 E CA 2.632 59.069 56.400 0.062 0.000 0.839 591 E CB -0.370 29.360 29.700 0.050 0.000 0.758 591 E HN 0.430 nan 8.360 nan 0.000 0.457 592 Q N -1.154 118.624 119.800 -0.038 0.000 2.170 592 Q HA -0.091 4.249 4.340 -0.002 0.000 0.203 592 Q C 2.021 177.970 176.000 -0.084 0.000 0.976 592 Q CA 1.285 57.058 55.803 -0.050 0.000 0.858 592 Q CB -0.240 28.477 28.738 -0.036 0.000 0.907 592 Q HN 0.595 nan 8.270 nan 0.000 0.433 593 A N -0.837 121.901 122.820 -0.138 0.000 2.147 593 A HA 0.108 4.427 4.320 -0.002 0.000 0.211 593 A C 1.803 179.240 177.584 -0.246 0.000 1.160 593 A CA 1.202 53.132 52.037 -0.177 0.000 0.781 593 A CB 0.107 18.983 19.000 -0.205 0.000 0.842 593 A HN 0.376 nan 8.150 nan 0.000 0.475 594 E N -2.325 117.690 120.200 -0.307 0.000 2.391 594 E HA 0.312 4.661 4.350 -0.002 0.000 0.206 594 E C 1.053 177.579 176.600 -0.123 0.000 0.851 594 E CA 0.966 57.182 56.400 -0.307 0.000 1.059 594 E CB 0.674 29.966 29.700 -0.680 0.000 1.065 594 E HN 0.656 nan 8.360 nan 0.000 0.512 595 G N 1.034 109.790 108.800 -0.073 0.000 2.163 595 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.213 595 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.213 595 G C -0.011 174.911 174.900 0.037 0.000 0.991 595 G CA 0.109 45.201 45.100 -0.013 0.000 0.653 595 G HN 0.324 nan 8.290 nan 0.000 0.518 596 R N -1.116 119.436 120.500 0.086 0.000 2.664 596 R HA 0.577 4.916 4.340 -0.002 0.000 0.260 596 R C -0.222 176.223 176.300 0.242 0.000 1.062 596 R CA -1.171 55.018 56.100 0.149 0.000 0.902 596 R CB 0.882 31.280 30.300 0.164 0.000 1.258 596 R HN 0.170 nan 8.270 nan 0.000 0.465 597 R N 1.745 122.333 120.500 0.147 0.000 2.678 597 R HA 0.076 4.415 4.340 -0.002 0.000 0.264 597 R C -1.947 174.388 176.300 0.058 0.000 0.995 597 R CA -0.904 55.235 56.100 0.065 0.000 1.098 597 R CB -0.011 30.296 30.300 0.012 0.000 0.949 597 R HN 0.437 nan 8.270 nan 0.000 0.422 598 P HA 0.010 nan 4.420 nan 0.000 0.267 598 P C -0.868 176.420 177.300 -0.021 0.000 1.205 598 P CA 0.278 62.959 63.100 -0.698 0.000 0.765 598 P CB 0.629 31.429 31.700 -1.500 0.000 0.828 599 R N 3.429 124.141 120.500 0.355 0.000 2.562 599 R HA 0.749 5.088 4.340 -0.002 0.000 0.298 599 R C -1.062 175.397 176.300 0.266 0.000 0.961 599 R CA -0.912 55.353 56.100 0.275 0.000 0.881 599 R CB 1.024 31.427 30.300 0.171 0.000 1.159 599 R HN 0.526 nan 8.270 nan 0.000 0.450 600 I N 4.508 125.202 120.570 0.207 0.000 2.656 600 I HA 0.304 4.474 4.170 -0.002 0.000 0.292 600 I C -1.743 174.412 176.117 0.064 0.000 1.144 600 I CA -1.291 60.097 61.300 0.148 0.000 1.038 600 I CB 1.994 40.084 38.000 0.151 0.000 1.244 600 I HN 0.587 nan 8.210 nan 0.000 0.420 601 L N 7.923 129.167 121.223 0.036 0.000 2.264 601 L HA 0.500 4.840 4.340 -0.002 0.000 0.289 601 L C -1.411 175.442 176.870 -0.030 0.000 1.044 601 L CA 0.025 54.866 54.840 0.001 0.000 0.807 601 L CB 1.155 43.215 42.059 0.003 0.000 1.192 601 L HN 0.533 nan 8.230 nan 0.000 0.425 602 L N 5.993 127.181 121.223 -0.058 0.000 2.272 602 L HA 0.656 4.995 4.340 -0.002 0.000 0.284 602 L C 0.083 176.909 176.870 -0.074 0.000 1.045 602 L CA -0.037 54.748 54.840 -0.092 0.000 0.842 602 L CB 1.014 42.989 42.059 -0.141 0.000 1.224 602 L HN 0.845 nan 8.230 nan 0.000 0.430 603 A N 4.167 126.951 122.820 -0.059 0.000 2.306 603 A HA 0.836 5.155 4.320 -0.002 0.000 0.330 603 A C -0.629 176.926 177.584 -0.049 0.000 1.146 603 A CA -0.670 51.338 52.037 -0.049 0.000 0.827 603 A CB 0.984 19.967 19.000 -0.029 0.000 1.178 603 A HN 0.395 nan 8.150 nan 0.000 0.490 604 K N 1.816 122.182 120.400 -0.056 0.000 2.579 604 K HA 0.498 4.817 4.320 -0.002 0.000 0.250 604 K C -1.159 175.415 176.600 -0.044 0.000 0.952 604 K CA 0.103 56.357 56.287 -0.056 0.000 0.857 604 K CB 1.442 33.879 32.500 -0.104 0.000 1.123 604 K HN 0.832 nan 8.250 nan 0.000 0.433 605 M N 0.610 120.206 119.600 -0.006 0.000 2.578 605 M HA 0.574 5.053 4.480 -0.002 0.000 0.321 605 M C 0.706 177.031 176.300 0.041 0.000 1.182 605 M CA -0.126 55.182 55.300 0.013 0.000 0.965 605 M CB 1.997 34.605 32.600 0.014 0.000 1.694 605 M HN 0.811 nan 8.290 nan 0.000 0.461 606 G N 1.118 109.950 108.800 0.053 0.000 2.584 606 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.229 606 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.229 606 G C -0.133 174.854 174.900 0.145 0.000 1.320 606 G CA -0.508 44.631 45.100 0.064 0.000 0.891 606 G HN 0.633 nan 8.290 nan 0.000 0.573 607 Q N 0.425 120.301 119.800 0.127 0.000 2.319 607 Q HA 0.113 4.452 4.340 -0.002 0.000 0.202 607 Q C 0.817 176.954 176.000 0.230 0.000 0.896 607 Q CA 0.356 56.283 55.803 0.206 0.000 0.942 607 Q CB 0.166 28.930 28.738 0.044 0.000 1.083 607 Q HN 0.646 nan 8.270 nan 0.000 0.510 608 D N 0.487 120.984 120.400 0.162 0.000 2.581 608 D HA -0.055 4.584 4.640 -0.002 0.000 0.238 608 D C 0.988 177.342 176.300 0.090 0.000 1.145 608 D CA 0.589 54.677 54.000 0.146 0.000 0.866 608 D CB 0.709 41.604 40.800 0.158 0.000 1.151 608 D HN 0.229 nan 8.370 nan 0.000 0.500 609 G N 2.637 111.422 108.800 -0.025 0.000 2.986 609 G HA2 -0.048 3.911 3.960 -0.002 0.000 0.213 609 G HA3 -0.048 3.911 3.960 -0.002 0.000 0.213 609 G C 0.238 175.022 174.900 -0.194 0.000 1.156 609 G CA -0.254 44.779 45.100 -0.111 0.000 0.763 609 G HN 0.599 nan 8.290 nan 0.000 0.547 610 H N 1.387 120.462 119.070 0.009 0.000 3.107 610 H HA 0.235 4.790 4.556 -0.001 0.000 0.301 610 H C 0.438 175.755 175.328 -0.018 0.000 0.981 610 H CA 0.947 57.000 56.048 0.008 0.000 1.443 610 H CB 1.139 30.916 29.762 0.025 0.000 1.479 610 H HN 0.349 nan 8.280 nan 0.000 0.564 611 D N 1.772 122.207 120.400 0.058 0.000 2.516 611 D HA -0.006 4.633 4.640 -0.002 0.000 0.241 611 D C 1.619 177.919 176.300 -0.001 0.000 1.246 611 D CA -0.364 53.639 54.000 0.005 0.000 0.808 611 D CB -0.121 40.656 40.800 -0.038 0.000 1.147 611 D HN 0.433 nan 8.370 nan 0.000 0.527 612 R N 1.241 121.756 120.500 0.025 0.000 2.081 612 R HA -0.032 4.308 4.340 -0.002 0.000 0.235 612 R C 2.051 178.344 176.300 -0.011 0.000 1.131 612 R CA 1.932 58.032 56.100 -0.001 0.000 0.960 612 R CB -0.588 29.713 30.300 0.001 0.000 0.856 612 R HN 0.196 nan 8.270 nan 0.000 0.436 613 G N 0.505 109.308 108.800 0.004 0.000 2.433 613 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.216 613 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.216 613 G C 1.294 176.144 174.900 -0.082 0.000 1.186 613 G CA 0.689 45.773 45.100 -0.026 0.000 0.779 613 G HN 0.436 nan 8.290 nan 0.000 0.543 614 Q N 0.030 119.785 119.800 -0.074 0.000 2.077 614 Q HA -0.197 4.142 4.340 -0.002 0.000 0.206 614 Q C 2.470 178.396 176.000 -0.124 0.000 0.989 614 Q CA 1.593 57.331 55.803 -0.108 0.000 0.853 614 Q CB -0.106 28.583 28.738 -0.081 0.000 0.907 614 Q HN 0.248 nan 8.270 nan 0.000 0.418 615 K N 0.036 120.381 120.400 -0.091 0.000 2.057 615 K HA -0.103 4.216 4.320 -0.002 0.000 0.206 615 K C 2.243 178.780 176.600 -0.105 0.000 1.050 615 K CA 1.420 57.654 56.287 -0.087 0.000 0.935 615 K CB -0.655 31.811 32.500 -0.057 0.000 0.715 615 K HN 0.394 nan 8.250 nan 0.000 0.439 616 V N -0.503 119.349 119.914 -0.103 0.000 2.427 616 V HA -0.154 3.965 4.120 -0.002 0.000 0.248 616 V C 2.240 178.196 176.094 -0.230 0.000 1.051 616 V CA 1.009 63.236 62.300 -0.120 0.000 1.048 616 V CB -0.609 31.172 31.823 -0.070 0.000 0.666 616 V HN -0.024 nan 8.190 nan 0.000 0.456 617 I N 1.779 122.180 120.570 -0.282 0.000 2.113 617 I HA -0.192 3.977 4.170 -0.002 0.000 0.238 617 I C 3.067 178.907 176.117 -0.461 0.000 1.070 617 I CA 2.063 63.078 61.300 -0.476 0.000 1.332 617 I CB -1.900 35.766 38.000 -0.556 0.000 1.044 617 I HN 0.397 nan 8.210 nan 0.000 0.402 618 A N 0.367 123.001 122.820 -0.311 0.000 1.870 618 A HA -0.347 3.972 4.320 -0.002 0.000 0.219 618 A C 2.556 180.055 177.584 -0.142 0.000 1.224 618 A CA 3.316 55.229 52.037 -0.207 0.000 0.650 618 A CB -1.468 17.451 19.000 -0.135 0.000 0.836 618 A HN 0.446 nan 8.150 nan 0.000 0.454 619 T N -1.115 113.364 114.554 -0.125 0.000 2.788 619 T HA 0.044 4.393 4.350 -0.002 0.000 0.268 619 T C 1.928 176.561 174.700 -0.112 0.000 1.044 619 T CA 1.998 64.052 62.100 -0.078 0.000 1.139 619 T CB -0.462 68.382 68.868 -0.041 0.000 0.867 619 T HN 0.601 nan 8.240 nan 0.000 0.454 620 A N -0.239 122.406 122.820 -0.293 0.000 1.897 620 A HA 0.046 4.365 4.320 -0.002 0.000 0.215 620 A C 2.045 179.520 177.584 -0.182 0.000 1.181 620 A CA 1.166 52.857 52.037 -0.576 0.000 0.620 620 A CB -0.952 17.293 19.000 -1.258 0.000 0.821 620 A HN 0.590 nan 8.150 nan 0.000 0.443 621 Y N 0.028 120.119 120.300 -0.349 0.000 2.274 621 Y HA -0.047 4.502 4.550 -0.002 0.000 0.290 621 Y C 2.832 178.696 175.900 -0.060 0.000 1.145 621 Y CA 0.207 58.127 58.100 -0.300 0.000 1.203 621 Y CB -0.824 37.289 38.460 -0.578 0.000 0.984 621 Y HN 0.346 nan 8.280 nan 0.000 0.533 622 A N -0.240 122.642 122.820 0.104 0.000 1.929 622 A HA -0.128 4.191 4.320 -0.002 0.000 0.216 622 A C 1.871 179.514 177.584 0.099 0.000 1.176 622 A CA 1.698 53.798 52.037 0.106 0.000 0.628 622 A CB -0.521 18.516 19.000 0.062 0.000 0.816 622 A HN 0.286 nan 8.150 nan 0.000 0.444 623 D N 0.244 120.699 120.400 0.092 0.000 2.178 623 D HA -0.082 4.558 4.640 -0.002 0.000 0.202 623 D C 1.739 178.116 176.300 0.128 0.000 0.974 623 D CA 0.829 54.902 54.000 0.122 0.000 0.841 623 D CB -0.279 40.637 40.800 0.193 0.000 0.953 623 D HN 0.460 nan 8.370 nan 0.000 0.478 624 L N -0.969 120.329 121.223 0.125 0.000 2.376 624 L HA 0.114 4.453 4.340 -0.002 0.000 0.219 624 L C 1.658 178.593 176.870 0.108 0.000 1.133 624 L CA 0.886 55.795 54.840 0.116 0.000 0.816 624 L CB -0.142 41.966 42.059 0.082 0.000 0.933 624 L HN 0.223 nan 8.230 nan 0.000 0.449 625 G N -1.463 107.412 108.800 0.125 0.000 2.205 625 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.180 625 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.180 625 G C 0.069 175.008 174.900 0.065 0.000 1.004 625 G CA -0.714 44.423 45.100 0.060 0.000 0.670 625 G HN 0.055 nan 8.290 nan 0.000 0.496 626 F N 1.821 121.728 119.950 -0.072 0.000 2.406 626 F HA 0.522 5.048 4.527 -0.002 0.000 0.327 626 F C 0.698 176.495 175.800 -0.005 0.000 1.153 626 F CA -0.711 57.250 58.000 -0.065 0.000 1.218 626 F CB 0.556 39.519 39.000 -0.062 0.000 1.215 626 F HN -0.138 nan 8.300 nan 0.000 0.570 627 D N 1.303 121.818 120.400 0.192 0.000 2.295 627 D HA 0.349 4.989 4.640 -0.002 0.000 0.248 627 D C -0.793 175.589 176.300 0.137 0.000 1.154 627 D CA 0.190 54.269 54.000 0.131 0.000 0.857 627 D CB 1.236 42.099 40.800 0.104 0.000 1.117 627 D HN 0.057 nan 8.370 nan 0.000 0.468 628 V N 3.364 123.333 119.914 0.092 0.000 2.487 628 V HA 0.262 4.381 4.120 -0.002 0.000 0.298 628 V C -0.335 175.776 176.094 0.028 0.000 1.028 628 V CA -0.881 61.458 62.300 0.064 0.000 0.860 628 V CB 2.145 33.989 31.823 0.035 0.000 0.991 628 V HN 0.372 nan 8.190 nan 0.000 0.427 629 D N 2.767 123.177 120.400 0.017 0.000 2.168 629 D HA 0.554 5.193 4.640 -0.002 0.000 0.246 629 D C -0.643 175.642 176.300 -0.025 0.000 1.050 629 D CA -0.169 53.829 54.000 -0.003 0.000 0.857 629 D CB 2.153 42.953 40.800 -0.001 0.000 1.169 629 D HN 0.289 nan 8.370 nan 0.000 0.453 630 V N 2.240 122.134 119.914 -0.034 0.000 2.334 630 V HA 0.555 4.674 4.120 -0.002 0.000 0.281 630 V C 0.945 177.007 176.094 -0.053 0.000 1.016 630 V CA -0.849 61.419 62.300 -0.052 0.000 0.832 630 V CB 1.356 33.145 31.823 -0.057 0.000 0.999 630 V HN 0.652 nan 8.190 nan 0.000 0.439 631 G N 6.433 115.198 108.800 -0.058 0.000 2.544 631 G HA2 0.440 4.399 3.960 -0.002 0.000 0.242 631 G HA3 0.440 4.399 3.960 -0.002 0.000 0.242 631 G C -2.401 172.448 174.900 -0.085 0.000 1.247 631 G CA -0.775 44.288 45.100 -0.062 0.000 0.840 631 G HN 0.539 nan 8.290 nan 0.000 0.578 632 P HA 0.163 nan 4.420 nan 0.000 0.272 632 P C 0.450 177.625 177.300 -0.209 0.000 1.230 632 P CA -0.464 62.563 63.100 -0.122 0.000 0.788 632 P CB 0.858 32.506 31.700 -0.086 0.000 0.949 633 L N 1.146 122.158 121.223 -0.351 0.000 2.461 633 L HA 0.026 4.365 4.340 -0.002 0.000 0.259 633 L C 0.847 177.294 176.870 -0.705 0.000 1.248 633 L CA 0.057 54.470 54.840 -0.710 0.000 0.823 633 L CB -0.824 40.510 42.059 -1.207 0.000 1.111 633 L HN 0.370 nan 8.230 nan 0.000 0.516 634 F N -1.740 118.200 119.950 -0.015 0.000 3.093 634 F HA -0.273 4.253 4.527 -0.002 0.000 0.283 634 F C 0.780 176.570 175.800 -0.017 0.000 0.848 634 F CA 0.299 58.288 58.000 -0.018 0.000 1.059 634 F CB -2.649 36.345 39.000 -0.010 0.000 1.191 634 F HN 0.511 nan 8.300 nan 0.000 0.514 635 Q N 0.997 120.809 119.800 0.019 0.000 2.337 635 Q HA 0.281 4.620 4.340 -0.002 0.000 0.270 635 Q C 1.112 177.128 176.000 0.027 0.000 1.002 635 Q CA 0.700 56.515 55.803 0.019 0.000 0.888 635 Q CB 1.014 29.744 28.738 -0.014 0.000 1.222 635 Q HN 0.462 nan 8.270 nan 0.000 0.400 636 T N 0.009 114.577 114.554 0.023 0.000 2.788 636 T HA 0.162 4.511 4.350 -0.002 0.000 0.287 636 T C -1.930 172.774 174.700 0.007 0.000 1.007 636 T CA -1.660 60.447 62.100 0.011 0.000 1.005 636 T CB 0.525 69.395 68.868 0.004 0.000 1.012 636 T HN 0.308 nan 8.240 nan 0.000 0.530 637 P HA -0.146 nan 4.420 nan 0.000 0.214 637 P C 1.568 178.871 177.300 0.004 0.000 1.163 637 P CA 1.427 64.530 63.100 0.005 0.000 0.889 637 P CB 0.010 31.713 31.700 0.004 0.000 0.790 638 E N 0.208 120.410 120.200 0.004 0.000 2.058 638 E HA -0.263 4.086 4.350 -0.002 0.000 0.194 638 E C 1.860 178.463 176.600 0.005 0.000 0.997 638 E CA 1.484 57.887 56.400 0.004 0.000 0.801 638 E CB -0.445 29.257 29.700 0.004 0.000 0.746 638 E HN 0.214 nan 8.360 nan 0.000 0.450 639 E N -0.403 119.801 120.200 0.006 0.000 2.118 639 E HA -0.167 4.182 4.350 -0.002 0.000 0.195 639 E C 2.082 178.683 176.600 0.002 0.000 0.992 639 E CA 1.849 58.252 56.400 0.006 0.000 0.804 639 E CB -0.039 29.667 29.700 0.010 0.000 0.741 639 E HN 0.331 nan 8.360 nan 0.000 0.458 640 T N 0.602 115.157 114.554 0.000 0.000 2.777 640 T HA -0.146 4.203 4.350 -0.002 0.000 0.266 640 T C 2.000 176.701 174.700 0.001 0.000 1.040 640 T CA 1.092 63.191 62.100 -0.002 0.000 1.141 640 T CB -0.291 68.576 68.868 -0.002 0.000 0.868 640 T HN 0.271 nan 8.240 nan 0.000 0.444 641 A N 1.920 124.742 122.820 0.004 0.000 1.865 641 A HA -0.178 4.141 4.320 -0.002 0.000 0.217 641 A C 2.317 179.903 177.584 0.004 0.000 1.191 641 A CA 2.047 54.087 52.037 0.005 0.000 0.623 641 A CB -0.708 18.296 19.000 0.006 0.000 0.826 641 A HN 0.414 nan 8.150 nan 0.000 0.444 642 R N -0.746 119.756 120.500 0.003 0.000 2.091 642 R HA -0.210 4.129 4.340 -0.002 0.000 0.238 642 R C 2.486 178.786 176.300 -0.000 0.000 1.136 642 R CA 1.928 58.030 56.100 0.002 0.000 0.959 642 R CB -0.290 30.012 30.300 0.003 0.000 0.856 642 R HN 0.758 nan 8.270 nan 0.000 0.437 643 Q N -0.487 119.312 119.800 -0.002 0.000 2.119 643 Q HA -0.128 4.212 4.340 -0.002 0.000 0.201 643 Q C 1.884 177.882 176.000 -0.004 0.000 0.972 643 Q CA 1.416 57.217 55.803 -0.004 0.000 0.847 643 Q CB -0.067 28.666 28.738 -0.008 0.000 0.903 643 Q HN 0.450 nan 8.270 nan 0.000 0.433 644 A N 0.018 122.838 122.820 -0.001 0.000 1.865 644 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 644 A C 2.171 179.752 177.584 -0.004 0.000 1.191 644 A CA 1.854 53.892 52.037 0.001 0.000 0.623 644 A CB -0.901 18.103 19.000 0.007 0.000 0.826 644 A HN 0.306 nan 8.150 nan 0.000 0.444 645 V N 0.045 119.957 119.914 -0.003 0.000 2.427 645 V HA -0.222 3.897 4.120 -0.002 0.000 0.248 645 V C 2.310 178.399 176.094 -0.009 0.000 1.051 645 V CA 2.042 64.338 62.300 -0.006 0.000 1.048 645 V CB -0.938 30.884 31.823 -0.002 0.000 0.666 645 V HN 0.608 nan 8.190 nan 0.000 0.456 646 E N 0.559 120.755 120.200 -0.006 0.000 2.153 646 E HA -0.164 4.186 4.350 -0.002 0.000 0.194 646 E C 2.099 178.694 176.600 -0.009 0.000 0.988 646 E CA 1.343 57.739 56.400 -0.006 0.000 0.811 646 E CB -0.210 29.487 29.700 -0.004 0.000 0.746 646 E HN 0.609 nan 8.360 nan 0.000 0.466 647 A N 0.941 123.755 122.820 -0.010 0.000 2.275 647 A HA -0.023 4.296 4.320 -0.002 0.000 0.212 647 A C 0.405 177.974 177.584 -0.024 0.000 1.201 647 A CA 0.315 52.345 52.037 -0.011 0.000 0.843 647 A CB 0.258 19.256 19.000 -0.005 0.000 0.873 647 A HN 0.196 nan 8.150 nan 0.000 0.492 648 D N -0.267 120.112 120.400 -0.034 0.000 2.697 648 D HA -0.133 4.506 4.640 -0.002 0.000 0.238 648 D C 0.259 176.491 176.300 -0.114 0.000 1.152 648 D CA 0.892 54.854 54.000 -0.063 0.000 0.666 648 D CB -1.972 38.789 40.800 -0.065 0.000 1.037 648 D HN 0.849 nan 8.370 nan 0.000 0.423 649 V N -1.473 118.399 119.914 -0.070 0.000 3.185 649 V HA 0.351 4.470 4.120 -0.002 0.000 0.305 649 V C 1.610 177.646 176.094 -0.097 0.000 1.090 649 V CA 0.268 62.534 62.300 -0.056 0.000 1.107 649 V CB 1.103 32.937 31.823 0.018 0.000 1.061 649 V HN 0.273 nan 8.190 nan 0.000 0.480 650 H N 1.324 120.441 119.070 0.078 0.000 2.486 650 H HA 0.505 5.060 4.556 -0.002 0.000 0.287 650 H C 0.521 175.897 175.328 0.079 0.000 1.010 650 H CA 1.312 57.414 56.048 0.091 0.000 1.324 650 H CB 0.912 30.741 29.762 0.111 0.000 1.446 650 H HN 0.555 nan 8.280 nan 0.000 0.537 651 V N 0.538 120.571 119.914 0.199 0.000 2.932 651 V HA 0.402 4.521 4.120 -0.002 0.000 0.307 651 V C -1.447 174.704 176.094 0.095 0.000 1.147 651 V CA -0.934 61.451 62.300 0.141 0.000 0.951 651 V CB 2.199 34.116 31.823 0.156 0.000 1.031 651 V HN -0.122 nan 8.190 nan 0.000 0.426 652 V N 5.787 125.740 119.914 0.065 0.000 2.350 652 V HA 0.643 4.762 4.120 -0.002 0.000 0.276 652 V C 0.939 177.050 176.094 0.028 0.000 1.028 652 V CA 0.286 62.607 62.300 0.036 0.000 0.860 652 V CB 1.271 33.109 31.823 0.024 0.000 0.990 652 V HN 1.104 nan 8.190 nan 0.000 0.453 653 G N 4.470 113.272 108.800 0.003 0.000 2.571 653 G HA2 0.477 4.437 3.960 -0.002 0.000 0.327 653 G HA3 0.477 4.437 3.960 -0.002 0.000 0.327 653 G C -0.415 174.464 174.900 -0.035 0.000 1.008 653 G CA -0.260 44.830 45.100 -0.018 0.000 1.136 653 G HN 0.521 nan 8.290 nan 0.000 0.444 654 V N 1.890 121.797 119.914 -0.013 0.000 2.530 654 V HA 0.354 4.473 4.120 -0.002 0.000 0.282 654 V C 0.666 176.750 176.094 -0.017 0.000 1.048 654 V CA -0.151 62.141 62.300 -0.012 0.000 0.997 654 V CB 1.585 33.412 31.823 0.006 0.000 0.987 654 V HN 0.604 nan 8.190 nan 0.000 0.477 655 S N 3.704 119.390 115.700 -0.023 0.000 2.601 655 S HA 0.389 4.858 4.470 -0.002 0.000 0.312 655 S C -0.229 174.375 174.600 0.006 0.000 1.107 655 S CA -0.369 57.818 58.200 -0.022 0.000 1.129 655 S CB 0.706 63.878 63.200 -0.046 0.000 0.982 655 S HN 0.833 nan 8.310 nan 0.000 0.469 656 S N 4.759 120.470 115.700 0.017 0.000 2.474 656 S HA 0.599 5.068 4.470 -0.002 0.000 0.321 656 S C -0.156 174.463 174.600 0.032 0.000 1.080 656 S CA -0.617 57.613 58.200 0.050 0.000 1.106 656 S CB 0.493 63.749 63.200 0.093 0.000 0.984 656 S HN 0.694 nan 8.310 nan 0.000 0.464 657 L N 4.418 125.658 121.223 0.028 0.000 3.184 657 L HA 0.504 4.843 4.340 -0.002 0.000 0.283 657 L C 1.484 178.343 176.870 -0.018 0.000 1.218 657 L CA 0.297 55.094 54.840 -0.071 0.000 1.028 657 L CB 0.564 42.439 42.059 -0.307 0.000 1.400 657 L HN 0.766 nan 8.230 nan 0.000 0.591 658 A N -0.757 122.120 122.820 0.094 0.000 2.470 658 A HA 0.585 4.904 4.320 -0.002 0.000 0.251 658 A C 1.597 179.244 177.584 0.105 0.000 1.245 658 A CA 0.425 52.532 52.037 0.118 0.000 0.932 658 A CB -0.096 18.988 19.000 0.141 0.000 1.037 658 A HN 0.387 nan 8.150 nan 0.000 0.522 659 G N -1.432 107.462 108.800 0.155 0.000 2.143 659 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.248 659 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.248 659 G C 0.947 175.840 174.900 -0.011 0.000 0.991 659 G CA 0.375 45.575 45.100 0.166 0.000 0.689 659 G HN 1.365 nan 8.290 nan 0.000 0.522 660 G N -0.110 108.702 108.800 0.019 0.000 3.233 660 G HA2 0.345 4.304 3.960 -0.002 0.000 0.234 660 G HA3 0.345 4.304 3.960 -0.002 0.000 0.234 660 G C 1.246 176.088 174.900 -0.097 0.000 1.137 660 G CA 1.017 46.077 45.100 -0.067 0.000 0.763 660 G HN 0.839 nan 8.290 nan 0.000 0.549 661 H N 1.062 120.146 119.070 0.023 0.000 2.321 661 H HA -0.127 4.428 4.556 -0.002 0.000 0.295 661 H C 2.152 177.492 175.328 0.019 0.000 1.102 661 H CA 1.109 57.169 56.048 0.019 0.000 1.266 661 H CB -0.834 28.942 29.762 0.022 0.000 1.363 661 H HN 0.320 nan 8.280 nan 0.000 0.492 662 L N 1.270 122.333 121.223 -0.268 0.000 2.127 662 L HA -0.149 4.191 4.340 -0.002 0.000 0.211 662 L C 2.825 179.657 176.870 -0.063 0.000 1.089 662 L CA 2.011 56.787 54.840 -0.106 0.000 0.757 662 L CB -0.688 41.288 42.059 -0.139 0.000 0.899 662 L HN 0.525 nan 8.230 nan 0.000 0.434 663 T N -3.629 110.882 114.554 -0.072 0.000 3.031 663 T HA 0.082 4.431 4.350 -0.002 0.000 0.254 663 T C 1.837 176.528 174.700 -0.014 0.000 1.060 663 T CA 0.064 62.143 62.100 -0.036 0.000 1.135 663 T CB -0.214 68.632 68.868 -0.037 0.000 0.896 663 T HN 0.152 nan 8.240 nan 0.000 0.472 664 L N 0.930 122.149 121.223 -0.006 0.000 2.056 664 L HA -0.026 4.313 4.340 -0.002 0.000 0.207 664 L C 2.872 179.753 176.870 0.018 0.000 1.078 664 L CA 0.889 55.736 54.840 0.011 0.000 0.749 664 L CB -0.618 41.458 42.059 0.028 0.000 0.901 664 L HN 0.151 nan 8.230 nan 0.000 0.433 665 V N 0.258 120.189 119.914 0.027 0.000 2.307 665 V HA -0.139 3.980 4.120 -0.002 0.000 0.245 665 V C -0.234 175.871 176.094 0.018 0.000 1.045 665 V CA 1.931 64.247 62.300 0.027 0.000 1.024 665 V CB -1.663 30.182 31.823 0.036 0.000 0.651 665 V HN 0.350 nan 8.190 nan 0.000 0.449 666 P HA -0.132 nan 4.420 nan 0.000 0.217 666 P C 1.608 178.914 177.300 0.009 0.000 1.150 666 P CA 2.149 65.256 63.100 0.012 0.000 0.832 666 P CB -0.098 31.608 31.700 0.009 0.000 0.787 667 A N -0.250 122.574 122.820 0.007 0.000 1.930 667 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 667 A C 2.207 179.796 177.584 0.007 0.000 1.175 667 A CA 1.344 53.384 52.037 0.005 0.000 0.627 667 A CB -1.624 17.377 19.000 0.002 0.000 0.815 667 A HN 0.155 nan 8.150 nan 0.000 0.443 668 L N -0.351 120.878 121.223 0.010 0.000 2.046 668 L HA -0.094 4.245 4.340 -0.002 0.000 0.208 668 L C 2.366 179.244 176.870 0.012 0.000 1.077 668 L CA 2.295 57.141 54.840 0.011 0.000 0.747 668 L CB -0.631 41.436 42.059 0.012 0.000 0.896 668 L HN 0.391 nan 8.230 nan 0.000 0.432 669 R N 0.208 120.716 120.500 0.013 0.000 2.080 669 R HA -0.178 4.161 4.340 -0.002 0.000 0.236 669 R C 2.255 178.563 176.300 0.013 0.000 1.137 669 R CA 2.040 58.149 56.100 0.014 0.000 0.943 669 R CB -0.359 29.950 30.300 0.014 0.000 0.846 669 R HN 0.366 nan 8.270 nan 0.000 0.431 670 K N 0.041 120.448 120.400 0.011 0.000 2.063 670 K HA -0.138 4.181 4.320 -0.002 0.000 0.208 670 K C 1.988 178.593 176.600 0.008 0.000 1.048 670 K CA 1.521 57.813 56.287 0.009 0.000 0.928 670 K CB -0.087 32.418 32.500 0.007 0.000 0.713 670 K HN 0.215 nan 8.250 nan 0.000 0.442 671 E N 0.955 121.159 120.200 0.008 0.000 2.106 671 E HA -0.123 4.226 4.350 -0.002 0.000 0.192 671 E C 2.136 178.742 176.600 0.009 0.000 0.984 671 E CA 0.903 57.308 56.400 0.008 0.000 0.806 671 E CB -0.127 29.577 29.700 0.007 0.000 0.750 671 E HN 0.314 nan 8.360 nan 0.000 0.458 672 L N 1.183 122.413 121.223 0.011 0.000 2.056 672 L HA -0.180 4.159 4.340 -0.002 0.000 0.207 672 L C 1.958 178.835 176.870 0.012 0.000 1.078 672 L CA 1.069 55.916 54.840 0.012 0.000 0.749 672 L CB -0.337 41.732 42.059 0.016 0.000 0.901 672 L HN -0.036 nan 8.230 nan 0.000 0.433 673 D N 0.143 120.550 120.400 0.013 0.000 2.144 673 D HA -0.204 4.435 4.640 -0.002 0.000 0.199 673 D C 2.048 178.354 176.300 0.010 0.000 0.984 673 D CA 1.058 55.065 54.000 0.012 0.000 0.834 673 D CB -0.098 40.709 40.800 0.012 0.000 0.955 673 D HN 0.222 nan 8.370 nan 0.000 0.465 674 K N 0.503 120.908 120.400 0.008 0.000 2.280 674 K HA -0.025 4.294 4.320 -0.002 0.000 0.202 674 K C 1.485 178.088 176.600 0.007 0.000 1.047 674 K CA 0.593 56.885 56.287 0.007 0.000 0.942 674 K CB 0.017 32.521 32.500 0.006 0.000 0.739 674 K HN 0.134 nan 8.250 nan 0.000 0.457 675 L N 0.180 121.407 121.223 0.007 0.000 2.611 675 L HA 0.216 4.555 4.340 -0.002 0.000 0.229 675 L C 0.618 177.491 176.870 0.006 0.000 1.137 675 L CA 0.195 55.039 54.840 0.006 0.000 0.901 675 L CB 0.096 42.158 42.059 0.005 0.000 1.098 675 L HN 0.445 nan 8.230 nan 0.000 0.456 676 G N 1.660 110.465 108.800 0.008 0.000 2.298 676 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.287 676 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.287 676 G C -0.045 174.861 174.900 0.010 0.000 1.075 676 G CA -0.200 44.905 45.100 0.008 0.000 0.960 676 G HN 0.281 nan 8.290 nan 0.000 0.502 677 R N -0.499 120.008 120.500 0.012 0.000 2.818 677 R HA 0.257 4.596 4.340 -0.002 0.000 0.258 677 R C -1.980 174.332 176.300 0.021 0.000 1.797 677 R CA -1.439 54.670 56.100 0.016 0.000 1.532 677 R CB 1.454 31.762 30.300 0.013 0.000 1.413 677 R HN 0.264 nan 8.270 nan 0.000 0.622 678 P HA -0.098 nan 4.420 nan 0.000 0.227 678 P C 0.636 177.957 177.300 0.035 0.000 1.161 678 P CA 0.818 63.934 63.100 0.026 0.000 0.788 678 P CB 0.375 32.088 31.700 0.022 0.000 0.822 679 D N 0.992 121.416 120.400 0.040 0.000 2.144 679 D HA -0.142 4.497 4.640 -0.002 0.000 0.199 679 D C 1.011 177.354 176.300 0.073 0.000 0.984 679 D CA 0.516 54.550 54.000 0.056 0.000 0.834 679 D CB -1.089 39.745 40.800 0.057 0.000 0.955 679 D HN 0.217 nan 8.370 nan 0.000 0.465 680 I N 1.880 122.486 120.570 0.060 0.000 2.664 680 I HA -0.027 4.143 4.170 -0.002 0.000 0.284 680 I C 0.579 176.736 176.117 0.068 0.000 1.154 680 I CA -0.057 61.284 61.300 0.068 0.000 1.402 680 I CB 0.174 38.200 38.000 0.043 0.000 1.395 680 I HN -0.081 nan 8.210 nan 0.000 0.545 681 L N 7.429 128.705 121.223 0.087 0.000 2.399 681 L HA 0.524 4.863 4.340 -0.002 0.000 0.265 681 L C -0.104 176.805 176.870 0.064 0.000 1.089 681 L CA -0.665 54.219 54.840 0.072 0.000 0.802 681 L CB 1.211 43.320 42.059 0.083 0.000 1.180 681 L HN 0.449 nan 8.230 nan 0.000 0.454 682 I N 0.783 121.381 120.570 0.046 0.000 2.404 682 I HA 0.345 4.514 4.170 -0.002 0.000 0.293 682 I C 0.057 176.192 176.117 0.030 0.000 0.992 682 I CA -0.182 61.139 61.300 0.035 0.000 1.149 682 I CB 2.047 40.060 38.000 0.022 0.000 1.315 682 I HN 0.654 nan 8.210 nan 0.000 0.446 683 T N 2.999 117.577 114.554 0.041 0.000 2.932 683 T HA 0.763 5.112 4.350 -0.002 0.000 0.289 683 T C -0.732 173.979 174.700 0.019 0.000 1.039 683 T CA -0.899 61.224 62.100 0.039 0.000 1.024 683 T CB 2.253 71.212 68.868 0.151 0.000 1.090 683 T HN 0.333 nan 8.240 nan 0.000 0.496 684 V N 0.343 120.243 119.914 -0.023 0.000 2.760 684 V HA 0.889 5.008 4.120 -0.002 0.000 0.309 684 V C -0.247 175.826 176.094 -0.034 0.000 1.077 684 V CA 0.044 62.326 62.300 -0.030 0.000 0.910 684 V CB 1.647 33.443 31.823 -0.044 0.000 1.008 684 V HN 1.458 nan 8.190 nan 0.000 0.424 685 G N 2.641 111.438 108.800 -0.005 0.000 2.694 685 G HA2 0.904 4.863 3.960 -0.002 0.000 0.290 685 G HA3 0.904 4.863 3.960 -0.002 0.000 0.290 685 G C -0.126 174.761 174.900 -0.022 0.000 1.386 685 G CA -0.062 45.046 45.100 0.014 0.000 0.872 685 G HN 1.931 nan 8.290 nan 0.000 0.475 686 G N -1.884 106.905 108.800 -0.019 0.000 2.297 686 G HA2 0.222 4.181 3.960 -0.002 0.000 0.209 686 G HA3 0.222 4.181 3.960 -0.002 0.000 0.209 686 G C -0.814 174.063 174.900 -0.039 0.000 1.267 686 G CA -0.058 45.024 45.100 -0.030 0.000 1.127 686 G HN 1.498 nan 8.290 nan 0.000 0.498 687 V N 1.154 121.037 119.914 -0.051 0.000 2.276 687 V HA 0.501 4.620 4.120 -0.002 0.000 0.249 687 V C 0.207 176.243 176.094 -0.097 0.000 1.160 687 V CA 0.347 62.621 62.300 -0.043 0.000 1.042 687 V CB -0.322 31.480 31.823 -0.035 0.000 1.224 687 V HN 0.497 nan 8.190 nan 0.000 0.496 688 I N 6.904 127.409 120.570 -0.109 0.000 2.418 688 I HA 0.438 4.607 4.170 -0.002 0.000 0.287 688 I C -2.238 173.919 176.117 0.067 0.000 1.008 688 I CA -2.004 59.151 61.300 -0.240 0.000 1.104 688 I CB 2.637 40.453 38.000 -0.308 0.000 1.264 688 I HN 0.357 nan 8.210 nan 0.000 0.438 689 P HA 0.079 nan 4.420 nan 0.000 0.271 689 P C 0.482 177.672 177.300 -0.184 0.000 1.216 689 P CA -0.155 62.933 63.100 -0.021 0.000 0.776 689 P CB 0.922 32.633 31.700 0.018 0.000 0.881 690 E N 2.078 121.943 120.200 -0.558 0.000 2.160 690 E HA -0.272 4.077 4.350 -0.002 0.000 0.195 690 E C 1.734 177.979 176.600 -0.593 0.000 0.991 690 E CA 1.048 56.750 56.400 -1.163 0.000 0.810 690 E CB 0.029 29.262 29.700 -0.778 0.000 0.742 690 E HN 0.535 nan 8.360 nan 0.000 0.466 691 Q N 0.177 119.830 119.800 -0.245 0.000 2.234 691 Q HA -0.201 4.138 4.340 -0.002 0.000 0.206 691 Q C 0.704 176.711 176.000 0.011 0.000 0.980 691 Q CA 1.620 57.370 55.803 -0.088 0.000 0.869 691 Q CB -0.020 28.691 28.738 -0.046 0.000 0.912 691 Q HN 0.227 nan 8.270 nan 0.000 0.436 692 D N -0.183 120.271 120.400 0.091 0.000 2.349 692 D HA 0.011 4.651 4.640 -0.002 0.000 0.215 692 D C 1.275 177.751 176.300 0.294 0.000 1.016 692 D CA 0.141 54.261 54.000 0.200 0.000 0.870 692 D CB -0.089 40.897 40.800 0.310 0.000 0.917 692 D HN 0.197 nan 8.370 nan 0.000 0.524 693 F N 1.785 121.744 119.950 0.015 0.000 2.095 693 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 693 F C 2.023 177.823 175.800 -0.001 0.000 1.104 693 F CA 0.707 58.703 58.000 -0.006 0.000 1.232 693 F CB -0.927 38.058 39.000 -0.026 0.000 0.987 693 F HN -0.060 nan 8.300 nan 0.000 0.475 694 D N -0.127 120.393 120.400 0.200 0.000 2.117 694 D HA -0.185 4.454 4.640 -0.002 0.000 0.197 694 D C 2.192 178.539 176.300 0.079 0.000 0.987 694 D CA 1.284 55.349 54.000 0.108 0.000 0.829 694 D CB -0.437 40.408 40.800 0.075 0.000 0.961 694 D HN 0.397 nan 8.370 nan 0.000 0.460 695 E N 0.014 120.265 120.200 0.085 0.000 2.106 695 E HA -0.101 4.249 4.350 -0.002 0.000 0.192 695 E C 2.139 178.778 176.600 0.065 0.000 0.984 695 E CA 0.426 56.867 56.400 0.068 0.000 0.806 695 E CB -0.023 29.720 29.700 0.072 0.000 0.750 695 E HN 0.224 nan 8.360 nan 0.000 0.458 696 L N 0.065 121.336 121.223 0.081 0.000 2.109 696 L HA -0.089 4.251 4.340 -0.002 0.000 0.207 696 L C 2.699 179.576 176.870 0.011 0.000 1.086 696 L CA 0.815 55.686 54.840 0.052 0.000 0.760 696 L CB -0.198 41.886 42.059 0.042 0.000 0.910 696 L HN 0.087 nan 8.230 nan 0.000 0.437 697 R N 0.055 120.560 120.500 0.008 0.000 2.075 697 R HA -0.201 4.138 4.340 -0.002 0.000 0.232 697 R C 2.287 178.592 176.300 0.009 0.000 1.126 697 R CA 1.367 57.464 56.100 -0.004 0.000 0.963 697 R CB -0.145 30.157 30.300 0.002 0.000 0.858 697 R HN 0.199 nan 8.270 nan 0.000 0.435 698 K N 0.606 121.018 120.400 0.021 0.000 2.148 698 K HA -0.129 4.190 4.320 -0.002 0.000 0.204 698 K C 0.750 177.361 176.600 0.018 0.000 1.050 698 K CA 1.594 57.893 56.287 0.020 0.000 0.942 698 K CB 0.208 32.722 32.500 0.024 0.000 0.724 698 K HN 0.043 nan 8.250 nan 0.000 0.446 699 D N -1.187 119.225 120.400 0.019 0.000 2.349 699 D HA 0.061 4.700 4.640 -0.002 0.000 0.224 699 D C 0.990 177.298 176.300 0.014 0.000 1.029 699 D CA 1.035 55.045 54.000 0.018 0.000 0.879 699 D CB 0.982 41.795 40.800 0.022 0.000 0.906 699 D HN 0.525 nan 8.370 nan 0.000 0.528 700 G N 0.001 108.807 108.800 0.010 0.000 2.336 700 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.194 700 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.194 700 G C 0.514 175.413 174.900 -0.000 0.000 0.999 700 G CA -0.069 45.036 45.100 0.009 0.000 0.669 700 G HN 0.499 nan 8.290 nan 0.000 0.482 701 A N 1.182 123.994 122.820 -0.013 0.000 2.484 701 A HA 0.602 4.921 4.320 -0.002 0.000 0.268 701 A C 1.723 179.273 177.584 -0.055 0.000 1.114 701 A CA 0.772 52.784 52.037 -0.041 0.000 0.780 701 A CB 0.565 19.523 19.000 -0.070 0.000 1.061 701 A HN 1.628 nan 8.150 nan 0.000 0.505 702 V N -0.631 119.257 119.914 -0.043 0.000 3.235 702 V HA 0.257 4.377 4.120 -0.002 0.000 0.259 702 V C 0.260 176.299 176.094 -0.092 0.000 1.133 702 V CA 0.809 63.085 62.300 -0.041 0.000 1.128 702 V CB -0.438 31.386 31.823 0.002 0.000 0.757 702 V HN 0.670 nan 8.190 nan 0.000 0.469 703 E N 0.256 120.354 120.200 -0.171 0.000 2.321 703 E HA 0.586 4.935 4.350 -0.002 0.000 0.281 703 E C -1.496 174.749 176.600 -0.593 0.000 0.910 703 E CA -0.320 55.855 56.400 -0.375 0.000 0.770 703 E CB 2.799 32.295 29.700 -0.339 0.000 1.225 703 E HN 0.368 nan 8.360 nan 0.000 0.417 704 I N 2.894 122.998 120.570 -0.777 0.000 2.418 704 I HA 0.324 4.493 4.170 -0.002 0.000 0.287 704 I C -1.184 174.456 176.117 -0.795 0.000 1.008 704 I CA -0.809 60.045 61.300 -0.742 0.000 1.104 704 I CB 1.013 38.474 38.000 -0.899 0.000 1.264 704 I HN 0.324 nan 8.210 nan 0.000 0.438 705 Y N 4.118 124.299 120.300 -0.198 0.000 2.328 705 Y HA 0.483 5.032 4.550 -0.001 0.000 0.333 705 Y C 0.625 176.474 175.900 -0.085 0.000 0.958 705 Y CA -0.960 57.074 58.100 -0.109 0.000 1.167 705 Y CB 1.800 40.213 38.460 -0.078 0.000 1.151 705 Y HN 0.513 nan 8.280 nan 0.000 0.470 706 T N 0.192 114.804 114.554 0.096 0.000 2.938 706 T HA 0.613 4.962 4.350 -0.002 0.000 0.285 706 T C -2.864 171.882 174.700 0.076 0.000 1.028 706 T CA -2.984 59.165 62.100 0.082 0.000 1.005 706 T CB 1.536 70.488 68.868 0.140 0.000 1.157 706 T HN 0.137 nan 8.240 nan 0.000 0.550 707 P HA 0.277 nan 4.420 nan 0.000 0.263 707 P C 1.062 178.386 177.300 0.039 0.000 1.175 707 P CA 1.371 64.492 63.100 0.035 0.000 0.761 707 P CB -0.020 31.688 31.700 0.013 0.000 0.794 708 G N 1.359 110.181 108.800 0.037 0.000 2.195 708 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.224 708 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.224 708 G C 0.332 175.264 174.900 0.054 0.000 0.990 708 G CA -0.096 45.026 45.100 0.037 0.000 0.639 708 G HN 0.609 nan 8.290 nan 0.000 0.514 709 T N 1.710 116.303 114.554 0.065 0.000 2.871 709 T HA 0.366 4.715 4.350 -0.002 0.000 0.296 709 T C 0.748 175.474 174.700 0.043 0.000 0.998 709 T CA 0.313 62.455 62.100 0.070 0.000 1.162 709 T CB 1.681 70.594 68.868 0.075 0.000 0.947 709 T HN 0.433 nan 8.240 nan 0.000 0.536 710 V N 6.305 126.249 119.914 0.050 0.000 2.488 710 V HA 0.129 4.248 4.120 -0.002 0.000 0.277 710 V C 1.685 177.800 176.094 0.036 0.000 1.046 710 V CA -0.143 62.191 62.300 0.056 0.000 0.986 710 V CB 0.738 32.599 31.823 0.063 0.000 0.989 710 V HN 0.839 nan 8.190 nan 0.000 0.475 711 I N 6.903 127.503 120.570 0.050 0.000 2.127 711 I HA -0.126 4.043 4.170 -0.002 0.000 0.241 711 I C -0.295 175.853 176.117 0.051 0.000 1.075 711 I CA 1.657 62.970 61.300 0.022 0.000 1.334 711 I CB -1.073 36.899 38.000 -0.047 0.000 1.040 711 I HN 0.579 nan 8.210 nan 0.000 0.405 712 P HA -0.152 nan 4.420 nan 0.000 0.218 712 P C 1.203 178.515 177.300 0.019 0.000 1.149 712 P CA 1.486 64.613 63.100 0.044 0.000 0.817 712 P CB -0.107 31.649 31.700 0.093 0.000 0.785 713 E N 0.257 120.476 120.200 0.033 0.000 2.106 713 E HA -0.128 4.221 4.350 -0.002 0.000 0.192 713 E C 2.248 178.870 176.600 0.036 0.000 0.984 713 E CA 1.666 58.090 56.400 0.040 0.000 0.806 713 E CB -0.390 29.345 29.700 0.058 0.000 0.750 713 E HN 0.359 nan 8.360 nan 0.000 0.458 714 S N 1.005 116.686 115.700 -0.032 0.000 2.383 714 S HA -0.061 4.408 4.470 -0.002 0.000 0.227 714 S C 2.257 176.795 174.600 -0.104 0.000 1.026 714 S CA 0.772 58.868 58.200 -0.173 0.000 0.981 714 S CB -0.127 62.666 63.200 -0.678 0.000 0.818 714 S HN 0.265 nan 8.310 nan 0.000 0.472 715 A N 2.163 124.896 122.820 -0.146 0.000 1.883 715 A HA 0.022 4.341 4.320 -0.002 0.000 0.217 715 A C 2.211 179.789 177.584 -0.011 0.000 1.186 715 A CA 1.639 53.540 52.037 -0.226 0.000 0.624 715 A CB -0.993 17.799 19.000 -0.348 0.000 0.822 715 A HN 0.566 nan 8.150 nan 0.000 0.444 716 I N 0.669 121.241 120.570 0.004 0.000 2.151 716 I HA -0.303 3.866 4.170 -0.002 0.000 0.243 716 I C 2.895 179.045 176.117 0.055 0.000 1.080 716 I CA 1.969 63.285 61.300 0.027 0.000 1.339 716 I CB -0.178 37.841 38.000 0.031 0.000 1.039 716 I HN 0.517 nan 8.210 nan 0.000 0.409 717 S N 0.209 115.964 115.700 0.093 0.000 2.436 717 S HA -0.072 4.397 4.470 -0.002 0.000 0.228 717 S C 1.913 176.600 174.600 0.145 0.000 1.014 717 S CA 0.344 58.617 58.200 0.122 0.000 0.950 717 S CB -0.446 62.848 63.200 0.157 0.000 0.784 717 S HN 0.299 nan 8.310 nan 0.000 0.504 718 L N 2.088 123.416 121.223 0.176 0.000 2.027 718 L HA 0.130 4.469 4.340 -0.002 0.000 0.206 718 L C 2.483 179.418 176.870 0.108 0.000 1.074 718 L CA 1.409 56.359 54.840 0.184 0.000 0.745 718 L CB -0.945 41.242 42.059 0.212 0.000 0.898 718 L HN 0.232 nan 8.230 nan 0.000 0.433 719 V N -0.231 119.717 119.914 0.058 0.000 2.343 719 V HA -0.295 3.824 4.120 -0.002 0.000 0.247 719 V C 2.524 178.643 176.094 0.041 0.000 1.051 719 V CA 1.960 64.243 62.300 -0.028 0.000 1.036 719 V CB -0.672 31.080 31.823 -0.118 0.000 0.654 719 V HN 0.457 nan 8.190 nan 0.000 0.451 720 K N 0.295 120.726 120.400 0.051 0.000 2.097 720 K HA -0.215 4.104 4.320 -0.002 0.000 0.205 720 K C 2.208 178.844 176.600 0.060 0.000 1.050 720 K CA 1.502 57.821 56.287 0.055 0.000 0.938 720 K CB -0.197 32.331 32.500 0.047 0.000 0.718 720 K HN 0.260 nan 8.250 nan 0.000 0.442 721 K N 1.357 121.797 120.400 0.066 0.000 2.057 721 K HA -0.106 4.214 4.320 -0.002 0.000 0.206 721 K C 1.926 178.570 176.600 0.073 0.000 1.050 721 K CA 0.799 57.124 56.287 0.063 0.000 0.935 721 K CB -0.337 32.201 32.500 0.064 0.000 0.715 721 K HN -0.014 nan 8.250 nan 0.000 0.439 722 L N 1.443 122.717 121.223 0.085 0.000 1.989 722 L HA -0.103 4.237 4.340 -0.002 0.000 0.211 722 L C 2.006 178.962 176.870 0.143 0.000 1.071 722 L CA 1.789 56.693 54.840 0.107 0.000 0.749 722 L CB -0.716 41.374 42.059 0.052 0.000 0.890 722 L HN 0.175 nan 8.230 nan 0.000 0.431 723 R N -0.487 120.105 120.500 0.153 0.000 2.083 723 R HA -0.137 4.202 4.340 -0.002 0.000 0.237 723 R C 2.188 178.515 176.300 0.045 0.000 1.137 723 R CA 1.422 57.581 56.100 0.099 0.000 0.951 723 R CB -0.880 29.470 30.300 0.083 0.000 0.851 723 R HN 0.522 nan 8.270 nan 0.000 0.434 724 A N 1.249 124.097 122.820 0.046 0.000 1.917 724 A HA -0.239 4.080 4.320 -0.002 0.000 0.219 724 A C 2.272 179.877 177.584 0.034 0.000 1.182 724 A CA 2.301 54.358 52.037 0.033 0.000 0.633 724 A CB -0.624 18.396 19.000 0.033 0.000 0.819 724 A HN 0.467 nan 8.150 nan 0.000 0.448 725 S N -0.957 114.772 115.700 0.047 0.000 2.470 725 S HA 0.090 4.559 4.470 -0.002 0.000 0.225 725 S C 1.752 176.381 174.600 0.049 0.000 1.006 725 S CA 0.941 59.169 58.200 0.047 0.000 0.934 725 S CB -0.430 62.804 63.200 0.057 0.000 0.778 725 S HN 0.425 nan 8.310 nan 0.000 0.517 726 L N 0.843 122.097 121.223 0.051 0.000 2.270 726 L HA 0.144 4.483 4.340 -0.002 0.000 0.210 726 L C 1.619 178.491 176.870 0.003 0.000 1.104 726 L CA 0.875 55.736 54.840 0.036 0.000 0.804 726 L CB -0.215 41.855 42.059 0.018 0.000 0.937 726 L HN 0.226 nan 8.230 nan 0.000 0.450 727 D N 0.140 120.537 120.400 -0.005 0.000 2.354 727 D HA 0.138 4.777 4.640 -0.002 0.000 0.209 727 D C 1.077 177.375 176.300 -0.003 0.000 1.015 727 D CA 0.299 54.291 54.000 -0.015 0.000 0.867 727 D CB 0.241 41.027 40.800 -0.024 0.000 0.933 727 D HN 0.202 nan 8.370 nan 0.000 0.520 728 A N 0.000 122.824 122.820 0.007 0.000 2.254 728 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 728 A CA 0.000 52.042 52.037 0.009 0.000 0.836 728 A CB 0.000 19.009 19.000 0.015 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486