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 3gwj_1_A DATA FIRST_RESID 8 DATA SEQUENCE HVLKTKDVDT VFVERQKKVL SLFQDVDQLN TNDEYYKIGK DYDIEANIDN DATA SEQUENCE YTNKKAVEDF LKMYRCGFLP KYNEFSVFHD KLRDEAIALF HLFYYAKDFD DATA SEQUENCE TFYKSAAFAR VHLNQGQFLY AYYIAIIQRK DTYGIVLPAP YEIYPELFVN DATA SEQUENCE IDTTYKMFRT KMQNGLINPE AAVEYGIVKE DNHYVYYSNY SNAITYYNEE DATA SEQUENCE QRLAYFTEDI GLNAYYFFFH IHLPFWWTAE KYGNLKERRG EMYHYFYDQL DATA SEQUENCE LTRYYFERLT NGLGTIPEFS WYSPVKTGHY PLLTSYYTPF SQRPNFYNVH DATA SEQUENCE SEENYEKIRF LDAYENYFVQ ALQKGVFEGF GQTIYLNDSK ANSFVGNYWQ DATA SEQUENCE DNADLYGEEV TKDYQRSYEI VARQVLGAAP KPFDKYTFMP SALDFYQTSL DATA SEQUENCE RDPTFYQLYN RIIGYFNQFK QYLEPHSQEK LHFVGVKVNN VVVDKLVTFF DATA SEQUENCE EYYDFDATNT VFLTEEELKT KYPHNLKVRQ PRLNHQPFNI NIDIKADVAT DATA SEQUENCE DAVVKIFMGP KYNENGFPIT LENDWMKFFE MDWFTHKITP GQNTIVRNSN DATA SEQUENCE EFVIFKEDSL PSTELYKLLE KGKVPFDMSE DFGYLPKRLM LPRGTKGGFP DATA SEQUENCE FQFVVFVYPF ESTTKNLTPY EKFMIDNKPL GYPFDRPVDT SCFKQPNIFF DATA SEQUENCE RDVSVYHEGE YHAYEYNVPA YFSH 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.331 175.328 0.005 0.000 0.993 8 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 8 H CB 0.000 29.766 29.762 0.006 0.000 1.292 9 V N 6.282 125.998 119.914 -0.330 0.000 2.427 9 V HA 0.297 4.329 4.120 -0.147 0.000 0.286 9 V C 0.512 176.363 176.094 -0.404 0.000 1.034 9 V CA -0.832 61.296 62.300 -0.286 0.000 0.893 9 V CB 1.320 33.059 31.823 -0.140 0.000 0.982 9 V HN 0.687 nan 8.190 nan 0.000 0.452 10 L N 2.214 123.272 121.223 -0.276 0.000 2.281 10 L HA 0.568 4.820 4.340 -0.147 0.000 0.285 10 L C 0.282 177.099 176.870 -0.089 0.000 1.074 10 L CA -0.399 54.336 54.840 -0.175 0.000 0.817 10 L CB 0.290 42.307 42.059 -0.070 0.000 1.168 10 L HN 0.570 nan 8.230 nan 0.000 0.434 11 K N 2.578 122.939 120.400 -0.066 0.000 2.489 11 K HA 0.093 4.325 4.320 -0.147 0.000 0.278 11 K C -0.090 176.518 176.600 0.013 0.000 1.000 11 K CA 0.166 56.414 56.287 -0.066 0.000 1.012 11 K CB 0.632 33.058 32.500 -0.122 0.000 0.903 11 K HN 0.892 nan 8.250 nan 0.000 0.485 12 T N 2.856 117.405 114.554 -0.008 0.000 2.930 12 T HA 0.407 4.669 4.350 -0.147 0.000 0.290 12 T C -1.511 173.228 174.700 0.064 0.000 1.052 12 T CA -0.846 61.278 62.100 0.039 0.000 1.017 12 T CB 1.074 69.943 68.868 0.001 0.000 1.137 12 T HN 0.639 nan 8.240 nan 0.000 0.511 13 K N 1.939 122.383 120.400 0.074 0.000 2.427 13 K HA 0.374 4.606 4.320 -0.147 0.000 0.252 13 K C -1.273 175.295 176.600 -0.053 0.000 0.931 13 K CA -0.752 55.572 56.287 0.062 0.000 0.793 13 K CB 1.316 33.901 32.500 0.141 0.000 1.211 13 K HN 0.604 nan 8.250 nan 0.000 0.426 14 D N 2.773 123.133 120.400 -0.067 0.000 2.304 14 D HA 0.221 4.773 4.640 -0.147 0.000 0.250 14 D C -0.317 175.865 176.300 -0.197 0.000 1.107 14 D CA -0.079 53.858 54.000 -0.104 0.000 0.885 14 D CB 1.693 42.454 40.800 -0.065 0.000 1.192 14 D HN 0.342 nan 8.370 nan 0.000 0.436 15 V N -0.986 118.788 119.914 -0.234 0.000 2.876 15 V HA 0.477 4.509 4.120 -0.147 0.000 0.312 15 V C -0.419 175.595 176.094 -0.133 0.000 1.085 15 V CA -1.185 60.902 62.300 -0.356 0.000 0.945 15 V CB 2.031 33.361 31.823 -0.822 0.000 1.017 15 V HN 0.444 nan 8.190 nan 0.000 0.428 16 D N 1.388 121.748 120.400 -0.067 0.000 2.433 16 D HA 0.295 4.847 4.640 -0.147 0.000 0.255 16 D C 1.129 177.467 176.300 0.062 0.000 1.226 16 D CA 0.326 54.330 54.000 0.007 0.000 1.015 16 D CB 0.408 41.216 40.800 0.013 0.000 1.091 16 D HN 0.545 nan 8.370 nan 0.000 0.527 17 T N -0.617 113.962 114.554 0.041 0.000 2.833 17 T HA -0.118 4.144 4.350 -0.147 0.000 0.269 17 T C 1.867 176.586 174.700 0.030 0.000 1.054 17 T CA 1.037 63.159 62.100 0.037 0.000 1.135 17 T CB -0.314 68.565 68.868 0.018 0.000 0.869 17 T HN 0.273 nan 8.240 nan 0.000 0.466 18 V N 0.961 120.891 119.914 0.026 0.000 2.307 18 V HA -0.105 3.927 4.120 -0.147 0.000 0.245 18 V C 1.949 178.014 176.094 -0.047 0.000 1.045 18 V CA 1.585 63.870 62.300 -0.024 0.000 1.024 18 V CB -0.743 31.069 31.823 -0.019 0.000 0.651 18 V HN 0.453 nan 8.190 nan 0.000 0.449 19 F N 0.672 120.550 119.950 -0.120 0.000 2.095 19 F HA -0.218 4.221 4.527 -0.147 0.000 0.298 19 F C 2.262 177.986 175.800 -0.127 0.000 1.104 19 F CA 2.042 59.962 58.000 -0.134 0.000 1.232 19 F CB -0.246 38.700 39.000 -0.089 0.000 0.987 19 F HN -0.043 nan 8.300 nan 0.000 0.475 20 V N 0.578 120.635 119.914 0.238 0.000 2.287 20 V HA -0.301 3.731 4.120 -0.147 0.000 0.248 20 V C 2.377 178.462 176.094 -0.015 0.000 1.053 20 V CA 2.220 64.604 62.300 0.141 0.000 1.027 20 V CB -0.709 31.189 31.823 0.124 0.000 0.646 20 V HN 0.333 nan 8.190 nan 0.000 0.447 21 E N 0.037 120.201 120.200 -0.059 0.000 2.150 21 E HA -0.136 4.126 4.350 -0.147 0.000 0.193 21 E C 2.385 178.872 176.600 -0.188 0.000 0.985 21 E CA 0.879 57.225 56.400 -0.090 0.000 0.814 21 E CB -0.278 29.372 29.700 -0.083 0.000 0.752 21 E HN 0.587 nan 8.360 nan 0.000 0.466 22 R N 0.395 120.656 120.500 -0.398 0.000 2.115 22 R HA -0.082 4.170 4.340 -0.147 0.000 0.226 22 R C 2.325 178.431 176.300 -0.323 0.000 1.100 22 R CA 0.921 56.605 56.100 -0.694 0.000 0.980 22 R CB -0.153 29.413 30.300 -1.223 0.000 0.875 22 R HN 0.076 nan 8.270 nan 0.000 0.445 23 Q N 1.651 121.231 119.800 -0.368 0.000 2.079 23 Q HA -0.114 4.138 4.340 -0.147 0.000 0.200 23 Q C 1.651 177.619 176.000 -0.053 0.000 0.974 23 Q CA 1.727 57.371 55.803 -0.265 0.000 0.840 23 Q CB 0.090 28.663 28.738 -0.276 0.000 0.898 23 Q HN 0.152 nan 8.270 nan 0.000 0.430 24 K N -0.295 120.115 120.400 0.016 0.000 2.057 24 K HA -0.113 4.119 4.320 -0.147 0.000 0.207 24 K C 2.041 178.738 176.600 0.161 0.000 1.049 24 K CA 1.109 57.492 56.287 0.160 0.000 0.931 24 K CB 0.002 32.597 32.500 0.159 0.000 0.714 24 K HN 0.022 nan 8.250 nan 0.000 0.440 25 K N 0.724 121.181 120.400 0.095 0.000 2.057 25 K HA -0.104 4.128 4.320 -0.147 0.000 0.206 25 K C 2.265 179.010 176.600 0.242 0.000 1.050 25 K CA 1.364 57.698 56.287 0.078 0.000 0.935 25 K CB -0.572 31.924 32.500 -0.008 0.000 0.715 25 K HN 0.202 nan 8.250 nan 0.000 0.439 26 V N -0.995 119.092 119.914 0.289 0.000 2.515 26 V HA -0.110 3.922 4.120 -0.147 0.000 0.250 26 V C 2.124 178.435 176.094 0.361 0.000 1.058 26 V CA 1.217 63.721 62.300 0.340 0.000 1.064 26 V CB -0.660 31.302 31.823 0.232 0.000 0.675 26 V HN 0.104 nan 8.190 nan 0.000 0.461 27 L N 1.835 123.224 121.223 0.278 0.000 2.217 27 L HA -0.071 4.181 4.340 -0.147 0.000 0.211 27 L C 2.987 180.050 176.870 0.322 0.000 1.107 27 L CA 1.572 56.596 54.840 0.307 0.000 0.783 27 L CB -0.640 41.458 42.059 0.065 0.000 0.919 27 L HN 0.641 nan 8.230 nan 0.000 0.442 28 S N -0.122 115.749 115.700 0.285 0.000 2.442 28 S HA -0.149 4.233 4.470 -0.147 0.000 0.236 28 S C 1.628 176.269 174.600 0.068 0.000 1.007 28 S CA 0.787 59.133 58.200 0.243 0.000 0.965 28 S CB -0.270 63.093 63.200 0.271 0.000 0.773 28 S HN 0.262 nan 8.310 nan 0.000 0.504 29 L N 0.031 121.233 121.223 -0.035 0.000 2.611 29 L HA 0.499 4.751 4.340 -0.147 0.000 0.229 29 L C 0.494 177.156 176.870 -0.347 0.000 1.137 29 L CA 0.437 55.040 54.840 -0.395 0.000 0.901 29 L CB -0.893 40.809 42.059 -0.594 0.000 1.098 29 L HN 0.348 nan 8.230 nan 0.000 0.456 30 F N -1.104 118.827 119.950 -0.032 0.000 2.684 30 F HA 0.260 4.699 4.527 -0.147 0.000 0.298 30 F C 0.751 176.489 175.800 -0.103 0.000 1.120 30 F CA -0.456 57.520 58.000 -0.040 0.000 1.332 30 F CB 0.456 39.437 39.000 -0.033 0.000 0.986 30 F HN -0.019 nan 8.300 nan 0.000 0.524 31 Q N 0.294 120.058 119.800 -0.060 0.000 2.245 31 Q HA 0.132 4.384 4.340 -0.147 0.000 0.256 31 Q C -0.028 175.765 176.000 -0.345 0.000 0.942 31 Q CA -0.489 55.132 55.803 -0.302 0.000 0.896 31 Q CB 1.275 29.554 28.738 -0.765 0.000 1.272 31 Q HN 0.219 nan 8.270 nan 0.000 0.442 32 D N 0.682 120.903 120.400 -0.298 0.000 2.706 32 D HA -0.185 4.367 4.640 -0.147 0.000 0.230 32 D C 0.893 177.135 176.300 -0.097 0.000 1.184 32 D CA 0.848 54.757 54.000 -0.151 0.000 0.628 32 D CB -0.531 40.240 40.800 -0.049 0.000 1.019 32 D HN 0.479 nan 8.370 nan 0.000 0.415 33 V N -2.361 117.506 119.914 -0.079 0.000 2.527 33 V HA -0.243 3.789 4.120 -0.147 0.000 0.255 33 V C 1.658 177.740 176.094 -0.019 0.000 1.081 33 V CA 2.141 64.415 62.300 -0.043 0.000 1.092 33 V CB -0.216 31.615 31.823 0.014 0.000 0.673 33 V HN 0.224 nan 8.190 nan 0.000 0.470 34 D N -0.473 119.904 120.400 -0.037 0.000 2.340 34 D HA 0.176 4.728 4.640 -0.147 0.000 0.220 34 D C 0.858 177.181 176.300 0.039 0.000 1.039 34 D CA 0.570 54.579 54.000 0.014 0.000 0.866 34 D CB 0.385 41.179 40.800 -0.010 0.000 0.913 34 D HN 0.725 nan 8.370 nan 0.000 0.523 35 Q N 0.001 119.809 119.800 0.013 0.000 2.423 35 Q HA 0.510 4.762 4.340 -0.147 0.000 0.278 35 Q C -1.242 174.818 176.000 0.101 0.000 1.097 35 Q CA -0.726 55.143 55.803 0.110 0.000 0.809 35 Q CB 2.199 31.015 28.738 0.131 0.000 1.391 35 Q HN -0.005 nan 8.270 nan 0.000 0.428 36 L N 2.338 123.634 121.223 0.122 0.000 2.322 36 L HA 0.483 4.734 4.340 -0.147 0.000 0.279 36 L C -0.495 176.437 176.870 0.104 0.000 1.036 36 L CA -0.725 54.210 54.840 0.159 0.000 0.807 36 L CB 1.473 43.622 42.059 0.149 0.000 1.226 36 L HN 0.565 nan 8.230 nan 0.000 0.433 37 N N 0.631 119.395 118.700 0.106 0.000 2.626 37 N HA 0.100 4.752 4.740 -0.147 0.000 0.249 37 N C 0.760 176.072 175.510 -0.330 0.000 1.021 37 N CA -0.299 52.719 53.050 -0.053 0.000 0.886 37 N CB 1.361 39.920 38.487 0.120 0.000 1.149 37 N HN 0.652 nan 8.380 nan 0.000 0.517 38 T N -0.317 113.916 114.554 -0.535 0.000 3.077 38 T HA -0.038 4.224 4.350 -0.147 0.000 0.269 38 T C 0.953 175.401 174.700 -0.421 0.000 1.146 38 T CA 0.823 62.413 62.100 -0.850 0.000 1.091 38 T CB 0.013 68.372 68.868 -0.847 0.000 0.892 38 T HN 0.323 nan 8.240 nan 0.000 0.533 39 N N 1.174 119.706 118.700 -0.280 0.000 2.424 39 N HA 0.062 4.714 4.740 -0.147 0.000 0.178 39 N C -0.282 175.136 175.510 -0.153 0.000 1.060 39 N CA 0.300 53.240 53.050 -0.182 0.000 0.901 39 N CB 0.049 38.444 38.487 -0.152 0.000 0.979 39 N HN 0.478 nan 8.380 nan 0.000 0.451 40 D N 0.663 120.938 120.400 -0.208 0.000 2.313 40 D HA 0.025 4.577 4.640 -0.147 0.000 0.247 40 D C 1.246 177.427 176.300 -0.198 0.000 1.094 40 D CA -0.149 53.746 54.000 -0.175 0.000 0.925 40 D CB 1.496 42.174 40.800 -0.203 0.000 1.188 40 D HN 0.061 nan 8.370 nan 0.000 0.430 41 E N 1.206 121.381 120.200 -0.042 0.000 2.110 41 E HA -0.258 4.004 4.350 -0.147 0.000 0.193 41 E C 1.577 178.187 176.600 0.017 0.000 0.988 41 E CA 0.997 57.407 56.400 0.017 0.000 0.804 41 E CB -0.112 29.645 29.700 0.094 0.000 0.745 41 E HN 0.687 nan 8.360 nan 0.000 0.458 42 Y N -0.862 119.488 120.300 0.084 0.000 2.315 42 Y HA -0.234 4.228 4.550 -0.147 0.000 0.288 42 Y C 1.928 177.777 175.900 -0.086 0.000 1.154 42 Y CA 1.247 59.327 58.100 -0.033 0.000 1.229 42 Y CB -1.147 37.248 38.460 -0.109 0.000 0.980 42 Y HN 0.137 nan 8.280 nan 0.000 0.540 43 Y N 1.767 121.645 120.300 -0.703 0.000 2.133 43 Y HA -0.155 4.307 4.550 -0.147 0.000 0.287 43 Y C 2.597 178.375 175.900 -0.203 0.000 1.134 43 Y CA 2.351 60.174 58.100 -0.461 0.000 1.133 43 Y CB -0.442 37.698 38.460 -0.533 0.000 0.987 43 Y HN 0.164 nan 8.280 nan 0.000 0.502 44 K N 0.789 121.198 120.400 0.014 0.000 2.032 44 K HA -0.161 4.071 4.320 -0.147 0.000 0.209 44 K C 1.887 178.458 176.600 -0.047 0.000 1.048 44 K CA 2.176 58.468 56.287 0.009 0.000 0.927 44 K CB -0.788 31.746 32.500 0.057 0.000 0.712 44 K HN 0.519 nan 8.250 nan 0.000 0.441 45 I N 0.117 120.671 120.570 -0.026 0.000 2.076 45 I HA -0.250 3.832 4.170 -0.147 0.000 0.237 45 I C 2.374 178.485 176.117 -0.010 0.000 1.059 45 I CA 1.758 63.056 61.300 -0.003 0.000 1.317 45 I CB -0.948 37.047 38.000 -0.008 0.000 1.037 45 I HN 0.455 nan 8.210 nan 0.000 0.398 46 G N 0.580 109.320 108.800 -0.100 0.000 2.442 46 G HA2 -0.300 3.571 3.960 -0.147 0.000 0.219 46 G HA3 -0.300 3.571 3.960 -0.147 0.000 0.219 46 G C 1.710 176.618 174.900 0.015 0.000 1.141 46 G CA 0.945 46.007 45.100 -0.063 0.000 0.763 46 G HN 0.345 nan 8.290 nan 0.000 0.554 47 K N 0.297 120.559 120.400 -0.230 0.000 2.057 47 K HA -0.113 4.119 4.320 -0.147 0.000 0.207 47 K C 1.363 178.042 176.600 0.130 0.000 1.049 47 K CA 1.671 57.832 56.287 -0.210 0.000 0.931 47 K CB -0.044 32.157 32.500 -0.498 0.000 0.714 47 K HN 0.174 nan 8.250 nan 0.000 0.440 48 D N -0.623 119.841 120.400 0.106 0.000 2.349 48 D HA -0.070 4.482 4.640 -0.147 0.000 0.214 48 D C -0.203 176.207 176.300 0.183 0.000 1.063 48 D CA -0.022 54.059 54.000 0.135 0.000 0.847 48 D CB -0.079 40.770 40.800 0.080 0.000 0.933 48 D HN 0.161 nan 8.370 nan 0.000 0.513 49 Y N 2.652 123.024 120.300 0.121 0.000 2.729 49 Y HA 0.011 4.473 4.550 -0.147 0.000 0.331 49 Y C 0.198 176.094 175.900 -0.007 0.000 1.208 49 Y CA -0.247 57.892 58.100 0.065 0.000 1.521 49 Y CB 0.311 38.819 38.460 0.079 0.000 1.233 49 Y HN -0.256 nan 8.280 nan 0.000 0.539 50 D N 7.254 127.307 120.400 -0.579 0.000 2.467 50 D HA 0.135 4.687 4.640 -0.147 0.000 0.220 50 D C 1.036 176.856 176.300 -0.799 0.000 1.103 50 D CA -0.034 53.652 54.000 -0.524 0.000 0.886 50 D CB 0.287 40.929 40.800 -0.264 0.000 1.025 50 D HN 0.764 nan 8.370 nan 0.000 0.514 51 I N 2.308 122.391 120.570 -0.812 0.000 2.179 51 I HA -0.254 3.828 4.170 -0.147 0.000 0.242 51 I C 2.186 178.133 176.117 -0.284 0.000 1.088 51 I CA 0.855 61.805 61.300 -0.583 0.000 1.357 51 I CB 0.013 37.687 38.000 -0.543 0.000 1.051 51 I HN 0.389 nan 8.210 nan 0.000 0.409 52 E N 1.509 121.567 120.200 -0.236 0.000 2.097 52 E HA -0.253 4.009 4.350 -0.147 0.000 0.196 52 E C 2.079 178.622 176.600 -0.096 0.000 1.000 52 E CA 1.884 58.208 56.400 -0.127 0.000 0.804 52 E CB -0.160 29.480 29.700 -0.099 0.000 0.740 52 E HN 0.453 nan 8.360 nan 0.000 0.454 53 A N -0.045 122.695 122.820 -0.133 0.000 2.014 53 A HA -0.085 4.147 4.320 -0.147 0.000 0.218 53 A C 1.493 179.039 177.584 -0.064 0.000 1.163 53 A CA 1.494 53.475 52.037 -0.093 0.000 0.652 53 A CB -0.343 18.593 19.000 -0.107 0.000 0.808 53 A HN 0.317 nan 8.150 nan 0.000 0.449 54 N N -0.672 117.983 118.700 -0.075 0.000 2.251 54 N HA 0.236 4.888 4.740 -0.147 0.000 0.217 54 N C 0.987 176.585 175.510 0.147 0.000 1.124 54 N CA -0.104 52.955 53.050 0.015 0.000 0.843 54 N CB -0.040 38.462 38.487 0.025 0.000 1.024 54 N HN 0.518 nan 8.380 nan 0.000 0.501 55 I N 0.411 121.060 120.570 0.132 0.000 2.381 55 I HA -0.316 3.766 4.170 -0.147 0.000 0.255 55 I C 0.705 176.948 176.117 0.210 0.000 1.140 55 I CA 1.462 62.885 61.300 0.205 0.000 1.404 55 I CB 0.185 38.223 38.000 0.062 0.000 1.075 55 I HN 0.165 nan 8.210 nan 0.000 0.433 56 D N 0.861 121.318 120.400 0.096 0.000 2.310 56 D HA -0.101 4.451 4.640 -0.147 0.000 0.212 56 D C 1.059 177.367 176.300 0.012 0.000 0.965 56 D CA 0.720 54.748 54.000 0.047 0.000 0.879 56 D CB -0.300 40.510 40.800 0.016 0.000 0.921 56 D HN 0.463 nan 8.370 nan 0.000 0.510 57 N N 0.115 118.786 118.700 -0.048 0.000 2.322 57 N HA -0.014 4.638 4.740 -0.147 0.000 0.216 57 N C -0.736 174.505 175.510 -0.449 0.000 1.144 57 N CA 0.090 52.997 53.050 -0.238 0.000 0.830 57 N CB 0.255 38.554 38.487 -0.313 0.000 1.034 57 N HN 0.233 nan 8.380 nan 0.000 0.484 58 Y N -0.542 119.771 120.300 0.022 0.000 2.391 58 Y HA 0.145 4.607 4.550 -0.147 0.000 0.341 58 Y C 1.682 177.577 175.900 -0.008 0.000 0.965 58 Y CA -0.983 57.136 58.100 0.031 0.000 1.067 58 Y CB 1.456 39.937 38.460 0.035 0.000 1.199 58 Y HN -0.062 nan 8.280 nan 0.000 0.450 59 T N -1.933 112.700 114.554 0.132 0.000 3.007 59 T HA -0.108 4.154 4.350 -0.147 0.000 0.270 59 T C 0.398 175.032 174.700 -0.110 0.000 1.107 59 T CA 1.085 63.198 62.100 0.022 0.000 1.118 59 T CB -0.272 68.623 68.868 0.045 0.000 0.889 59 T HN 0.567 nan 8.240 nan 0.000 0.506 60 N N 0.288 118.844 118.700 -0.241 0.000 2.623 60 N HA 0.326 4.978 4.740 -0.147 0.000 0.256 60 N C 0.794 176.165 175.510 -0.231 0.000 1.045 60 N CA -0.672 52.110 53.050 -0.447 0.000 0.863 60 N CB 0.944 38.680 38.487 -1.252 0.000 1.182 60 N HN 0.040 nan 8.380 nan 0.000 0.523 61 K N 1.569 121.899 120.400 -0.116 0.000 2.097 61 K HA -0.168 4.064 4.320 -0.147 0.000 0.205 61 K C 1.599 178.163 176.600 -0.060 0.000 1.050 61 K CA 0.873 57.126 56.287 -0.057 0.000 0.938 61 K CB 0.134 32.620 32.500 -0.025 0.000 0.718 61 K HN 0.472 nan 8.250 nan 0.000 0.442 62 K N 1.245 121.602 120.400 -0.072 0.000 2.057 62 K HA -0.130 4.102 4.320 -0.147 0.000 0.207 62 K C 2.127 178.722 176.600 -0.008 0.000 1.049 62 K CA 1.237 57.504 56.287 -0.033 0.000 0.931 62 K CB -0.101 32.381 32.500 -0.030 0.000 0.714 62 K HN 0.090 nan 8.250 nan 0.000 0.440 63 A N 0.761 123.549 122.820 -0.053 0.000 1.908 63 A HA -0.112 4.120 4.320 -0.147 0.000 0.218 63 A C 2.223 179.859 177.584 0.088 0.000 1.181 63 A CA 1.725 53.788 52.037 0.043 0.000 0.627 63 A CB -0.595 18.406 19.000 0.001 0.000 0.818 63 A HN 0.190 nan 8.150 nan 0.000 0.445 64 V N 0.051 119.951 119.914 -0.024 0.000 2.358 64 V HA -0.234 3.798 4.120 -0.147 0.000 0.246 64 V C 2.350 178.461 176.094 0.027 0.000 1.047 64 V CA 2.143 64.389 62.300 -0.089 0.000 1.035 64 V CB -0.848 30.808 31.823 -0.278 0.000 0.658 64 V HN 0.639 nan 8.190 nan 0.000 0.452 65 E N -0.084 120.128 120.200 0.019 0.000 2.110 65 E HA -0.216 4.046 4.350 -0.147 0.000 0.193 65 E C 1.913 178.557 176.600 0.073 0.000 0.988 65 E CA 1.320 57.741 56.400 0.035 0.000 0.804 65 E CB -0.178 29.533 29.700 0.018 0.000 0.745 65 E HN 0.596 nan 8.360 nan 0.000 0.458 66 D N 0.316 120.777 120.400 0.102 0.000 2.144 66 D HA -0.142 4.410 4.640 -0.147 0.000 0.200 66 D C 1.685 178.083 176.300 0.163 0.000 0.978 66 D CA 0.724 54.800 54.000 0.125 0.000 0.833 66 D CB -0.209 40.681 40.800 0.150 0.000 0.961 66 D HN 0.117 nan 8.370 nan 0.000 0.470 67 F N 1.439 121.438 119.950 0.082 0.000 2.113 67 F HA -0.103 4.336 4.527 -0.147 0.000 0.297 67 F C 2.185 178.055 175.800 0.116 0.000 1.103 67 F CA 1.028 59.095 58.000 0.113 0.000 1.248 67 F CB -0.320 38.687 39.000 0.011 0.000 0.999 67 F HN -0.157 nan 8.300 nan 0.000 0.475 68 L N 0.560 121.831 121.223 0.080 0.000 2.042 68 L HA -0.257 3.995 4.340 -0.147 0.000 0.210 68 L C 2.646 179.514 176.870 -0.004 0.000 1.076 68 L CA 1.933 56.780 54.840 0.011 0.000 0.749 68 L CB -0.777 41.315 42.059 0.055 0.000 0.893 68 L HN 0.169 nan 8.230 nan 0.000 0.432 69 K N 0.055 120.466 120.400 0.018 0.000 2.057 69 K HA -0.235 3.997 4.320 -0.147 0.000 0.207 69 K C 2.223 178.838 176.600 0.025 0.000 1.049 69 K CA 1.590 57.890 56.287 0.022 0.000 0.931 69 K CB -0.057 32.462 32.500 0.032 0.000 0.714 69 K HN 0.186 nan 8.250 nan 0.000 0.440 70 M N -0.337 119.285 119.600 0.036 0.000 2.156 70 M HA -0.169 4.223 4.480 -0.147 0.000 0.264 70 M C 1.976 178.415 176.300 0.232 0.000 1.067 70 M CA 1.462 56.826 55.300 0.107 0.000 1.131 70 M CB -0.153 32.528 32.600 0.134 0.000 1.368 70 M HN 0.257 nan 8.290 nan 0.000 0.416 71 Y N 0.529 120.756 120.300 -0.120 0.000 2.242 71 Y HA -0.179 4.282 4.550 -0.147 0.000 0.291 71 Y C 1.940 177.770 175.900 -0.116 0.000 1.137 71 Y CA 1.596 59.503 58.100 -0.321 0.000 1.181 71 Y CB -0.040 37.871 38.460 -0.916 0.000 0.989 71 Y HN 0.116 nan 8.280 nan 0.000 0.527 72 R N -1.297 119.127 120.500 -0.127 0.000 2.285 72 R HA -0.097 4.155 4.340 -0.147 0.000 0.213 72 R C 2.060 178.284 176.300 -0.127 0.000 1.068 72 R CA 1.078 57.079 56.100 -0.164 0.000 1.004 72 R CB -0.572 29.702 30.300 -0.044 0.000 0.873 72 R HN 0.360 nan 8.270 nan 0.000 0.467 73 C N -0.486 118.781 119.300 -0.054 0.000 2.533 73 C HA 0.335 4.707 4.460 -0.147 0.000 0.272 73 C C 1.008 176.009 174.990 0.018 0.000 1.371 73 C CA 0.787 59.800 59.018 -0.008 0.000 1.758 73 C CB -0.760 26.994 27.740 0.023 0.000 1.972 73 C HN 0.719 nan 8.230 nan 0.000 0.522 74 G N -0.430 108.386 108.800 0.027 0.000 2.640 74 G HA2 0.109 3.981 3.960 -0.147 0.000 0.686 74 G HA3 0.109 3.981 3.960 -0.147 0.000 0.686 74 G C -1.060 174.080 174.900 0.400 0.000 1.229 74 G CA -0.813 44.348 45.100 0.101 0.000 0.796 74 G HN 0.013 nan 8.290 nan 0.000 0.654 75 F N 0.036 119.981 119.950 -0.008 0.000 2.661 75 F HA 0.804 5.243 4.527 -0.147 0.000 0.347 75 F C 0.716 176.356 175.800 -0.267 0.000 1.086 75 F CA -1.328 56.684 58.000 0.020 0.000 1.016 75 F CB 1.374 40.420 39.000 0.078 0.000 1.368 75 F HN 0.645 nan 8.300 nan 0.000 0.505 76 L N 5.502 126.545 121.223 -0.301 0.000 2.578 76 L HA 0.194 4.446 4.340 -0.147 0.000 0.279 76 L C -2.213 174.492 176.870 -0.274 0.000 1.227 76 L CA -0.875 53.534 54.840 -0.718 0.000 0.900 76 L CB -0.368 41.567 42.059 -0.207 0.000 1.144 76 L HN 0.226 nan 8.230 nan 0.000 0.496 77 P HA 0.105 nan 4.420 nan 0.000 0.274 77 P C -1.070 176.247 177.300 0.029 0.000 1.246 77 P CA -0.508 62.561 63.100 -0.052 0.000 0.795 77 P CB 0.586 32.281 31.700 -0.010 0.000 1.006 78 K N 0.223 120.641 120.400 0.030 0.000 2.276 78 K HA 0.024 4.256 4.320 -0.147 0.000 0.259 78 K C 0.023 176.691 176.600 0.113 0.000 1.001 78 K CA 0.325 56.577 56.287 -0.060 0.000 0.927 78 K CB -0.239 32.091 32.500 -0.283 0.000 0.969 78 K HN 0.468 nan 8.250 nan 0.000 0.490 79 Y N -2.302 118.153 120.300 0.259 0.000 4.545 79 Y HA -0.386 4.077 4.550 -0.146 0.000 0.306 79 Y C 0.349 176.595 175.900 0.577 0.000 1.060 79 Y CA 0.837 59.161 58.100 0.374 0.000 1.834 79 Y CB -1.909 36.666 38.460 0.191 0.000 1.008 79 Y HN 0.713 nan 8.280 nan 0.000 0.436 80 N N 2.084 121.102 118.700 0.531 0.000 2.444 80 N HA 0.094 4.746 4.740 -0.147 0.000 0.255 80 N C 0.133 175.863 175.510 0.366 0.000 1.255 80 N CA -0.384 52.902 53.050 0.394 0.000 0.933 80 N CB 0.345 38.931 38.487 0.166 0.000 1.143 80 N HN 0.111 nan 8.380 nan 0.000 0.453 81 E N 1.104 121.442 120.200 0.230 0.000 2.354 81 E HA 0.076 4.338 4.350 -0.147 0.000 0.269 81 E C -1.073 175.768 176.600 0.401 0.000 1.036 81 E CA 0.121 56.665 56.400 0.241 0.000 0.876 81 E CB 0.729 30.402 29.700 -0.045 0.000 1.009 81 E HN 0.337 nan 8.360 nan 0.000 0.416 82 F N 1.657 121.847 119.950 0.400 0.000 2.469 82 F HA 0.379 4.818 4.527 -0.148 0.000 0.332 82 F C -0.407 175.628 175.800 0.391 0.000 1.103 82 F CA -0.469 57.746 58.000 0.358 0.000 0.979 82 F CB 1.540 40.706 39.000 0.277 0.000 1.137 82 F HN 0.190 nan 8.300 nan 0.000 0.463 83 S N 5.073 120.168 115.700 -1.007 0.000 2.614 83 S HA 0.268 4.650 4.470 -0.147 0.000 0.275 83 S C -0.081 173.804 174.600 -1.191 0.000 1.161 83 S CA -0.539 57.126 58.200 -0.892 0.000 0.969 83 S CB 1.591 64.508 63.200 -0.471 0.000 1.059 83 S HN 0.880 nan 8.310 nan 0.000 0.482 84 V N 5.461 124.721 119.914 -1.089 0.000 3.078 84 V HA 0.102 4.134 4.120 -0.147 0.000 0.265 84 V C 0.710 176.504 176.094 -0.499 0.000 1.122 84 V CA 1.513 63.361 62.300 -0.754 0.000 1.141 84 V CB -0.848 30.652 31.823 -0.539 0.000 0.735 84 V HN 0.853 nan 8.190 nan 0.000 0.498 85 F N -0.140 119.640 119.950 -0.284 0.000 2.773 85 F HA 0.277 4.716 4.527 -0.147 0.000 0.304 85 F C 0.987 176.424 175.800 -0.606 0.000 1.129 85 F CA -0.242 57.544 58.000 -0.356 0.000 1.378 85 F CB -0.308 38.406 39.000 -0.477 0.000 1.095 85 F HN 0.270 nan 8.300 nan 0.000 0.565 86 H N 0.029 118.920 119.070 -0.298 0.000 2.587 86 H HA 0.123 4.591 4.556 -0.147 0.000 0.325 86 H C 0.369 175.576 175.328 -0.202 0.000 1.012 86 H CA -0.748 55.116 56.048 -0.306 0.000 1.213 86 H CB 1.345 30.809 29.762 -0.497 0.000 1.431 86 H HN -0.016 nan 8.280 nan 0.000 0.492 87 D N 2.859 123.209 120.400 -0.084 0.000 2.633 87 D HA -0.245 4.307 4.640 -0.147 0.000 0.206 87 D C 1.761 178.024 176.300 -0.062 0.000 1.055 87 D CA 1.755 55.712 54.000 -0.070 0.000 0.903 87 D CB 0.274 41.030 40.800 -0.074 0.000 1.115 87 D HN 0.361 nan 8.370 nan 0.000 0.479 88 K N -0.221 120.150 120.400 -0.048 0.000 2.044 88 K HA -0.116 4.116 4.320 -0.147 0.000 0.210 88 K C 2.095 178.690 176.600 -0.009 0.000 1.049 88 K CA 0.582 56.843 56.287 -0.043 0.000 0.927 88 K CB -0.727 31.744 32.500 -0.047 0.000 0.713 88 K HN 0.081 nan 8.250 nan 0.000 0.443 89 L N 0.492 121.744 121.223 0.049 0.000 2.017 89 L HA -0.113 4.139 4.340 -0.147 0.000 0.208 89 L C 2.373 179.308 176.870 0.108 0.000 1.073 89 L CA 1.709 56.624 54.840 0.125 0.000 0.745 89 L CB -0.736 41.345 42.059 0.036 0.000 0.894 89 L HN 0.178 nan 8.230 nan 0.000 0.432 90 R N -0.320 120.151 120.500 -0.049 0.000 2.091 90 R HA -0.178 4.074 4.340 -0.147 0.000 0.238 90 R C 1.927 178.102 176.300 -0.207 0.000 1.136 90 R CA 1.757 57.771 56.100 -0.143 0.000 0.959 90 R CB -0.217 29.974 30.300 -0.181 0.000 0.856 90 R HN 0.370 nan 8.270 nan 0.000 0.437 91 D N 0.399 120.703 120.400 -0.160 0.000 2.117 91 D HA -0.167 4.385 4.640 -0.147 0.000 0.197 91 D C 1.741 177.945 176.300 -0.159 0.000 0.987 91 D CA 1.400 55.301 54.000 -0.164 0.000 0.829 91 D CB -0.186 40.545 40.800 -0.115 0.000 0.961 91 D HN 0.454 nan 8.370 nan 0.000 0.460 92 E N 0.654 120.730 120.200 -0.206 0.000 2.077 92 E HA -0.114 4.148 4.350 -0.147 0.000 0.193 92 E C 2.113 178.727 176.600 0.024 0.000 0.989 92 E CA 0.959 57.153 56.400 -0.344 0.000 0.800 92 E CB -0.030 29.194 29.700 -0.793 0.000 0.746 92 E HN 0.190 nan 8.360 nan 0.000 0.452 93 A N 1.098 123.931 122.820 0.022 0.000 1.930 93 A HA -0.147 4.085 4.320 -0.147 0.000 0.217 93 A C 2.149 179.690 177.584 -0.072 0.000 1.175 93 A CA 0.961 53.037 52.037 0.065 0.000 0.627 93 A CB -0.494 18.614 19.000 0.179 0.000 0.815 93 A HN 0.137 nan 8.150 nan 0.000 0.443 94 I N -0.340 120.037 120.570 -0.321 0.000 2.315 94 I HA -0.242 3.840 4.170 -0.147 0.000 0.248 94 I C 2.897 178.872 176.117 -0.237 0.000 1.117 94 I CA 0.942 61.911 61.300 -0.551 0.000 1.404 94 I CB -0.294 37.255 38.000 -0.751 0.000 1.071 94 I HN 0.362 nan 8.210 nan 0.000 0.419 95 A N 0.688 123.512 122.820 0.007 0.000 1.930 95 A HA -0.147 4.085 4.320 -0.147 0.000 0.217 95 A C 2.370 180.123 177.584 0.282 0.000 1.175 95 A CA 1.119 53.314 52.037 0.263 0.000 0.627 95 A CB -0.644 18.609 19.000 0.421 0.000 0.815 95 A HN 0.401 nan 8.150 nan 0.000 0.443 96 L N -1.630 119.719 121.223 0.210 0.000 2.027 96 L HA -0.127 4.125 4.340 -0.147 0.000 0.206 96 L C 2.445 179.034 176.870 -0.469 0.000 1.074 96 L CA 1.956 56.697 54.840 -0.166 0.000 0.745 96 L CB -0.406 41.614 42.059 -0.066 0.000 0.898 96 L HN 0.523 nan 8.230 nan 0.000 0.433 97 F N 0.431 120.189 119.950 -0.320 0.000 2.126 97 F HA -0.301 4.138 4.527 -0.147 0.000 0.299 97 F C 2.308 178.072 175.800 -0.061 0.000 1.096 97 F CA 2.006 59.878 58.000 -0.213 0.000 1.255 97 F CB -0.538 38.324 39.000 -0.231 0.000 0.997 97 F HN 0.194 nan 8.300 nan 0.000 0.479 98 H N -0.655 118.286 119.070 -0.216 0.000 2.353 98 H HA -0.160 4.308 4.556 -0.146 0.000 0.300 98 H C 2.453 177.726 175.328 -0.092 0.000 1.090 98 H CA 1.030 56.978 56.048 -0.167 0.000 1.327 98 H CB -0.214 29.680 29.762 0.221 0.000 1.383 98 H HN 0.281 nan 8.280 nan 0.000 0.508 99 L N 0.439 121.619 121.223 -0.072 0.000 2.042 99 L HA -0.217 4.035 4.340 -0.147 0.000 0.210 99 L C 1.692 178.641 176.870 0.131 0.000 1.076 99 L CA 1.662 56.376 54.840 -0.211 0.000 0.749 99 L CB -0.468 41.144 42.059 -0.746 0.000 0.893 99 L HN 0.249 nan 8.230 nan 0.000 0.432 100 F N -1.054 118.882 119.950 -0.023 0.000 2.163 100 F HA -0.188 4.251 4.527 -0.147 0.000 0.297 100 F C 2.571 178.343 175.800 -0.046 0.000 1.094 100 F CA 0.571 58.652 58.000 0.135 0.000 1.290 100 F CB -1.507 37.625 39.000 0.219 0.000 1.017 100 F HN 0.104 nan 8.300 nan 0.000 0.483 101 Y N -1.115 118.981 120.300 -0.341 0.000 2.242 101 Y HA -0.277 4.185 4.550 -0.147 0.000 0.291 101 Y C 1.805 177.490 175.900 -0.359 0.000 1.137 101 Y CA 1.516 59.248 58.100 -0.613 0.000 1.181 101 Y CB -0.332 37.376 38.460 -1.253 0.000 0.989 101 Y HN -0.043 nan 8.280 nan 0.000 0.527 102 Y N 0.102 120.399 120.300 -0.005 0.000 2.490 102 Y HA 0.337 4.799 4.550 -0.146 0.000 0.281 102 Y C 1.200 177.177 175.900 0.129 0.000 1.174 102 Y CA -0.339 57.762 58.100 0.002 0.000 1.295 102 Y CB -0.829 37.681 38.460 0.084 0.000 1.062 102 Y HN 0.054 nan 8.280 nan 0.000 0.522 103 A N 1.606 124.601 122.820 0.292 0.000 2.546 103 A HA 0.001 4.233 4.320 -0.147 0.000 0.243 103 A C 1.697 179.260 177.584 -0.036 0.000 1.063 103 A CA 0.001 52.080 52.037 0.070 0.000 0.757 103 A CB 0.216 19.292 19.000 0.126 0.000 0.991 103 A HN 0.638 nan 8.150 nan 0.000 0.503 104 K N 1.387 121.713 120.400 -0.123 0.000 2.147 104 K HA -0.117 4.115 4.320 -0.147 0.000 0.205 104 K C -0.117 176.460 176.600 -0.039 0.000 1.049 104 K CA 1.574 57.821 56.287 -0.068 0.000 0.936 104 K CB -0.212 32.239 32.500 -0.081 0.000 0.722 104 K HN 0.809 nan 8.250 nan 0.000 0.446 105 D N -2.036 118.347 120.400 -0.027 0.000 2.610 105 D HA 0.044 4.596 4.640 -0.147 0.000 0.271 105 D C 0.277 176.645 176.300 0.113 0.000 1.174 105 D CA -0.953 53.072 54.000 0.042 0.000 0.949 105 D CB -0.016 40.810 40.800 0.044 0.000 1.430 105 D HN -0.097 nan 8.370 nan 0.000 0.467 106 F N 0.848 120.821 119.950 0.038 0.000 2.120 106 F HA -0.189 4.250 4.527 -0.147 0.000 0.300 106 F C 1.554 177.441 175.800 0.145 0.000 1.095 106 F CA 1.952 60.026 58.000 0.122 0.000 1.249 106 F CB -0.139 38.901 39.000 0.066 0.000 0.995 106 F HN 0.265 nan 8.300 nan 0.000 0.480 107 D N -0.439 120.027 120.400 0.110 0.000 2.104 107 D HA -0.176 4.376 4.640 -0.147 0.000 0.194 107 D C 2.273 178.513 176.300 -0.100 0.000 0.994 107 D CA 2.172 56.170 54.000 -0.002 0.000 0.830 107 D CB -0.627 40.204 40.800 0.051 0.000 0.959 107 D HN 0.299 nan 8.370 nan 0.000 0.452 108 T N 0.641 115.140 114.554 -0.091 0.000 2.821 108 T HA -0.139 4.123 4.350 -0.147 0.000 0.267 108 T C 1.642 176.259 174.700 -0.138 0.000 1.046 108 T CA 0.557 62.562 62.100 -0.159 0.000 1.139 108 T CB -0.343 68.365 68.868 -0.266 0.000 0.871 108 T HN 0.122 nan 8.240 nan 0.000 0.454 109 F N 1.486 121.289 119.950 -0.245 0.000 2.051 109 F HA -0.127 4.312 4.527 -0.147 0.000 0.296 109 F C 2.137 177.706 175.800 -0.386 0.000 1.122 109 F CA 0.816 58.658 58.000 -0.263 0.000 1.201 109 F CB -1.046 37.778 39.000 -0.292 0.000 0.978 109 F HN 0.180 nan 8.300 nan 0.000 0.472 110 Y N 1.518 121.228 120.300 -0.983 0.000 2.151 110 Y HA -0.259 4.202 4.550 -0.147 0.000 0.284 110 Y C 2.403 177.884 175.900 -0.699 0.000 1.166 110 Y CA 2.506 60.012 58.100 -0.991 0.000 1.163 110 Y CB -0.619 37.371 38.460 -0.783 0.000 0.974 110 Y HN 0.123 nan 8.280 nan 0.000 0.511 111 K N -0.557 119.454 120.400 -0.648 0.000 2.097 111 K HA -0.130 4.102 4.320 -0.147 0.000 0.205 111 K C 2.268 178.343 176.600 -0.875 0.000 1.050 111 K CA 1.462 57.235 56.287 -0.856 0.000 0.938 111 K CB -0.225 31.666 32.500 -1.015 0.000 0.718 111 K HN 0.228 nan 8.250 nan 0.000 0.442 112 S N 0.961 116.305 115.700 -0.593 0.000 2.368 112 S HA -0.156 4.226 4.470 -0.147 0.000 0.225 112 S C 2.111 176.707 174.600 -0.005 0.000 1.030 112 S CA 1.307 59.439 58.200 -0.114 0.000 0.999 112 S CB -0.186 63.160 63.200 0.244 0.000 0.844 112 S HN 0.433 nan 8.310 nan 0.000 0.459 113 A N 1.339 123.830 122.820 -0.548 0.000 1.969 113 A HA 0.237 4.469 4.320 -0.147 0.000 0.218 113 A C 2.306 179.546 177.584 -0.573 0.000 1.169 113 A CA 1.472 53.112 52.037 -0.662 0.000 0.635 113 A CB -0.880 17.374 19.000 -1.243 0.000 0.810 113 A HN 0.497 nan 8.150 nan 0.000 0.445 114 A N -0.944 121.452 122.820 -0.706 0.000 1.898 114 A HA -0.012 4.220 4.320 -0.147 0.000 0.216 114 A C 2.020 179.397 177.584 -0.345 0.000 1.181 114 A CA 1.476 53.144 52.037 -0.614 0.000 0.620 114 A CB -0.742 17.873 19.000 -0.642 0.000 0.819 114 A HN 0.703 nan 8.150 nan 0.000 0.442 115 F N 1.160 120.939 119.950 -0.286 0.000 2.126 115 F HA -0.136 4.303 4.527 -0.146 0.000 0.299 115 F C 2.407 178.204 175.800 -0.005 0.000 1.096 115 F CA 1.448 59.431 58.000 -0.028 0.000 1.255 115 F CB -0.316 38.736 39.000 0.087 0.000 0.997 115 F HN 0.239 nan 8.300 nan 0.000 0.479 116 A N 0.271 123.078 122.820 -0.021 0.000 1.897 116 A HA -0.118 4.114 4.320 -0.147 0.000 0.215 116 A C 2.152 179.485 177.584 -0.419 0.000 1.181 116 A CA 1.431 53.440 52.037 -0.045 0.000 0.620 116 A CB -0.707 18.562 19.000 0.448 0.000 0.821 116 A HN 0.394 nan 8.150 nan 0.000 0.443 117 R N 0.108 120.051 120.500 -0.929 0.000 2.081 117 R HA -0.080 4.172 4.340 -0.147 0.000 0.235 117 R C 1.677 177.588 176.300 -0.649 0.000 1.131 117 R CA 2.245 57.555 56.100 -1.316 0.000 0.960 117 R CB -1.076 28.294 30.300 -1.550 0.000 0.856 117 R HN 0.257 nan 8.270 nan 0.000 0.436 118 V N 0.174 119.764 119.914 -0.540 0.000 2.453 118 V HA -0.145 3.887 4.120 -0.147 0.000 0.247 118 V C 1.953 177.674 176.094 -0.621 0.000 1.048 118 V CA 1.873 63.850 62.300 -0.537 0.000 1.049 118 V CB -0.561 30.825 31.823 -0.728 0.000 0.672 118 V HN 0.454 nan 8.190 nan 0.000 0.457 119 H N -1.280 117.502 119.070 -0.480 0.000 2.553 119 H HA 0.350 4.819 4.556 -0.146 0.000 0.276 119 H C 0.778 175.993 175.328 -0.188 0.000 0.979 119 H CA 0.217 56.039 56.048 -0.376 0.000 1.268 119 H CB 0.616 29.993 29.762 -0.641 0.000 1.450 119 H HN 0.303 nan 8.280 nan 0.000 0.527 120 L N 0.751 121.934 121.223 -0.067 0.000 2.376 120 L HA 0.205 4.457 4.340 -0.147 0.000 0.267 120 L C 1.044 177.937 176.870 0.038 0.000 1.035 120 L CA -0.907 53.961 54.840 0.048 0.000 0.800 120 L CB 0.930 43.069 42.059 0.133 0.000 1.290 120 L HN 0.107 nan 8.230 nan 0.000 0.462 121 N N 1.237 120.004 118.700 0.111 0.000 2.458 121 N HA -0.067 4.585 4.740 -0.147 0.000 0.258 121 N C 0.786 176.384 175.510 0.146 0.000 1.219 121 N CA -0.201 52.913 53.050 0.106 0.000 0.902 121 N CB 1.177 39.759 38.487 0.157 0.000 1.076 121 N HN 0.639 nan 8.380 nan 0.000 0.455 122 Q N 3.647 123.525 119.800 0.129 0.000 2.061 122 Q HA -0.134 4.118 4.340 -0.147 0.000 0.204 122 Q C 1.764 177.947 176.000 0.305 0.000 0.984 122 Q CA 2.041 57.961 55.803 0.196 0.000 0.846 122 Q CB -1.047 27.784 28.738 0.155 0.000 0.902 122 Q HN 0.800 nan 8.270 nan 0.000 0.421 123 G N 0.905 109.905 108.800 0.334 0.000 2.402 123 G HA2 -0.302 3.570 3.960 -0.147 0.000 0.216 123 G HA3 -0.302 3.570 3.960 -0.147 0.000 0.216 123 G C 1.465 176.428 174.900 0.105 0.000 1.162 123 G CA 0.753 46.106 45.100 0.422 0.000 0.777 123 G HN 0.454 nan 8.290 nan 0.000 0.539 124 Q N -0.715 119.004 119.800 -0.136 0.000 2.050 124 Q HA -0.114 4.138 4.340 -0.147 0.000 0.202 124 Q C 2.171 178.113 176.000 -0.097 0.000 0.980 124 Q CA 1.486 56.940 55.803 -0.581 0.000 0.840 124 Q CB -0.275 28.357 28.738 -0.177 0.000 0.898 124 Q HN 0.529 nan 8.270 nan 0.000 0.424 125 F N 0.457 120.417 119.950 0.017 0.000 2.102 125 F HA -0.179 4.259 4.527 -0.147 0.000 0.298 125 F C 1.639 177.563 175.800 0.206 0.000 1.105 125 F CA 1.223 59.283 58.000 0.100 0.000 1.239 125 F CB -0.200 38.798 39.000 -0.003 0.000 0.991 125 F HN 0.033 nan 8.300 nan 0.000 0.474 126 L N -0.656 120.508 121.223 -0.099 0.000 2.079 126 L HA -0.252 4.000 4.340 -0.147 0.000 0.210 126 L C 2.426 179.521 176.870 0.376 0.000 1.081 126 L CA 1.719 56.563 54.840 0.007 0.000 0.752 126 L CB -1.025 41.236 42.059 0.337 0.000 0.896 126 L HN 0.324 nan 8.230 nan 0.000 0.433 127 Y N 0.686 121.151 120.300 0.276 0.000 2.089 127 Y HA -0.308 4.154 4.550 -0.147 0.000 0.282 127 Y C 2.493 178.554 175.900 0.267 0.000 1.139 127 Y CA 1.535 59.844 58.100 0.349 0.000 1.123 127 Y CB -0.421 38.125 38.460 0.143 0.000 0.980 127 Y HN 0.092 nan 8.280 nan 0.000 0.493 128 A N -0.702 122.216 122.820 0.162 0.000 1.930 128 A HA -0.208 4.024 4.320 -0.147 0.000 0.217 128 A C 2.142 179.954 177.584 0.381 0.000 1.175 128 A CA 1.587 53.738 52.037 0.190 0.000 0.627 128 A CB -1.525 17.579 19.000 0.174 0.000 0.815 128 A HN 0.686 nan 8.150 nan 0.000 0.443 129 Y N -0.876 119.455 120.300 0.051 0.000 2.070 129 Y HA -0.277 4.185 4.550 -0.147 0.000 0.280 129 Y C 2.188 178.102 175.900 0.022 0.000 1.148 129 Y CA 1.602 59.611 58.100 -0.151 0.000 1.125 129 Y CB -1.085 36.834 38.460 -0.903 0.000 0.975 129 Y HN 0.423 nan 8.280 nan 0.000 0.492 130 Y N -0.179 120.146 120.300 0.041 0.000 2.102 130 Y HA -0.347 4.115 4.550 -0.147 0.000 0.280 130 Y C 2.538 178.359 175.900 -0.131 0.000 1.178 130 Y CA 2.184 60.293 58.100 0.016 0.000 1.146 130 Y CB -0.446 38.108 38.460 0.156 0.000 0.968 130 Y HN 0.108 nan 8.280 nan 0.000 0.504 131 I N -1.013 119.563 120.570 0.010 0.000 2.252 131 I HA -0.300 3.782 4.170 -0.147 0.000 0.245 131 I C 2.588 178.737 176.117 0.054 0.000 1.102 131 I CA 0.956 62.172 61.300 -0.140 0.000 1.385 131 I CB -0.650 37.098 38.000 -0.420 0.000 1.064 131 I HN 0.192 nan 8.210 nan 0.000 0.414 132 A N 1.269 124.221 122.820 0.219 0.000 1.902 132 A HA -0.170 4.062 4.320 -0.147 0.000 0.217 132 A C 2.285 179.808 177.584 -0.102 0.000 1.181 132 A CA 1.491 53.618 52.037 0.150 0.000 0.623 132 A CB -0.862 18.269 19.000 0.218 0.000 0.818 132 A HN 0.385 nan 8.150 nan 0.000 0.443 133 I N -0.054 120.424 120.570 -0.153 0.000 2.335 133 I HA -0.237 3.845 4.170 -0.147 0.000 0.251 133 I C 2.016 178.057 176.117 -0.127 0.000 1.129 133 I CA 0.799 61.977 61.300 -0.204 0.000 1.402 133 I CB -0.201 37.651 38.000 -0.247 0.000 1.069 133 I HN 0.276 nan 8.210 nan 0.000 0.424 134 I N 0.087 120.603 120.570 -0.091 0.000 2.333 134 I HA -0.163 3.919 4.170 -0.147 0.000 0.246 134 I C 2.470 178.666 176.117 0.133 0.000 1.106 134 I CA 1.282 62.559 61.300 -0.038 0.000 1.411 134 I CB -1.114 36.828 38.000 -0.097 0.000 1.082 134 I HN 0.303 nan 8.210 nan 0.000 0.420 135 Q N 0.757 120.644 119.800 0.144 0.000 2.137 135 Q HA 0.023 4.275 4.340 -0.147 0.000 0.198 135 Q C 1.019 177.201 176.000 0.303 0.000 0.960 135 Q CA 0.514 56.477 55.803 0.266 0.000 0.847 135 Q CB -0.275 28.590 28.738 0.213 0.000 0.915 135 Q HN 0.455 nan 8.270 nan 0.000 0.448 136 R N 1.447 122.030 120.500 0.140 0.000 2.537 136 R HA 0.062 4.314 4.340 -0.147 0.000 0.280 136 R C 1.344 177.669 176.300 0.041 0.000 1.058 136 R CA 0.097 56.202 56.100 0.007 0.000 1.057 136 R CB 0.549 30.703 30.300 -0.243 0.000 0.973 136 R HN 0.083 nan 8.270 nan 0.000 0.438 137 K N 1.490 121.900 120.400 0.016 0.000 2.097 137 K HA -0.143 4.089 4.320 -0.147 0.000 0.205 137 K C 1.113 177.753 176.600 0.066 0.000 1.050 137 K CA 1.764 58.074 56.287 0.037 0.000 0.938 137 K CB 0.052 32.544 32.500 -0.013 0.000 0.718 137 K HN 0.637 nan 8.250 nan 0.000 0.442 138 D N -0.231 120.185 120.400 0.026 0.000 2.371 138 D HA -0.096 4.456 4.640 -0.147 0.000 0.221 138 D C 1.076 177.393 176.300 0.027 0.000 0.986 138 D CA 0.933 54.957 54.000 0.040 0.000 0.899 138 D CB -0.232 40.598 40.800 0.050 0.000 0.902 138 D HN 0.140 nan 8.370 nan 0.000 0.530 139 T N -4.118 110.451 114.554 0.025 0.000 3.129 139 T HA 0.089 4.351 4.350 -0.147 0.000 0.267 139 T C 0.227 174.937 174.700 0.018 0.000 1.018 139 T CA -0.837 61.247 62.100 -0.026 0.000 0.903 139 T CB -0.944 67.889 68.868 -0.059 0.000 1.067 139 T HN 0.112 nan 8.240 nan 0.000 0.549 140 Y N 2.766 123.066 120.300 -0.001 0.000 2.729 140 Y HA 0.352 4.815 4.550 -0.146 0.000 0.331 140 Y C 1.435 177.398 175.900 0.106 0.000 1.208 140 Y CA 0.861 58.991 58.100 0.051 0.000 1.521 140 Y CB -0.340 38.157 38.460 0.062 0.000 1.233 140 Y HN 0.462 nan 8.280 nan 0.000 0.539 141 G N 5.414 113.877 108.800 -0.561 0.000 2.199 141 G HA2 -0.265 3.607 3.960 -0.147 0.000 0.254 141 G HA3 -0.265 3.607 3.960 -0.147 0.000 0.254 141 G C 0.010 174.920 174.900 0.017 0.000 0.982 141 G CA -0.050 44.826 45.100 -0.373 0.000 0.632 141 G HN 0.615 nan 8.290 nan 0.000 0.529 142 I N 1.905 122.422 120.570 -0.088 0.000 2.683 142 I HA 0.146 4.228 4.170 -0.147 0.000 0.286 142 I C 1.380 177.413 176.117 -0.141 0.000 1.175 142 I CA -0.175 60.996 61.300 -0.215 0.000 1.429 142 I CB 0.871 38.688 38.000 -0.305 0.000 1.371 142 I HN -0.048 nan 8.210 nan 0.000 0.569 143 V N 8.033 127.897 119.914 -0.084 0.000 2.572 143 V HA 0.088 4.120 4.120 -0.147 0.000 0.291 143 V C 0.571 176.554 176.094 -0.186 0.000 1.039 143 V CA -0.364 61.868 62.300 -0.113 0.000 1.055 143 V CB 0.782 32.566 31.823 -0.065 0.000 0.969 143 V HN 0.402 nan 8.190 nan 0.000 0.482 144 L N 7.992 129.090 121.223 -0.208 0.000 2.307 144 L HA 0.459 4.711 4.340 -0.147 0.000 0.282 144 L C -1.904 174.832 176.870 -0.224 0.000 1.051 144 L CA -1.740 52.957 54.840 -0.239 0.000 0.804 144 L CB 1.732 43.748 42.059 -0.070 0.000 1.197 144 L HN 0.463 nan 8.230 nan 0.000 0.431 145 P HA 0.093 nan 4.420 nan 0.000 0.271 145 P C -0.672 176.509 177.300 -0.198 0.000 1.218 145 P CA -0.462 62.407 63.100 -0.385 0.000 0.780 145 P CB 0.916 32.236 31.700 -0.633 0.000 0.901 146 A N 4.617 127.285 122.820 -0.252 0.000 2.540 146 A HA 0.131 4.363 4.320 -0.147 0.000 0.239 146 A C -1.223 176.021 177.584 -0.567 0.000 1.061 146 A CA -0.643 51.103 52.037 -0.486 0.000 0.758 146 A CB -1.131 17.231 19.000 -1.064 0.000 0.991 146 A HN 0.403 nan 8.150 nan 0.000 0.502 147 P HA -0.201 nan 4.420 nan 0.000 0.216 147 P C 0.856 177.795 177.300 -0.601 0.000 1.150 147 P CA 2.013 64.862 63.100 -0.418 0.000 0.837 147 P CB -0.170 31.243 31.700 -0.478 0.000 0.786 148 Y N -1.075 118.571 120.300 -1.091 0.000 2.421 148 Y HA 0.018 4.480 4.550 -0.147 0.000 0.292 148 Y C 2.181 177.793 175.900 -0.481 0.000 1.136 148 Y CA 0.598 57.873 58.100 -1.375 0.000 1.255 148 Y CB -1.449 35.968 38.460 -1.738 0.000 0.991 148 Y HN 0.024 nan 8.280 nan 0.000 0.552 149 E N 0.623 120.629 120.200 -0.323 0.000 2.158 149 E HA -0.093 4.169 4.350 -0.147 0.000 0.191 149 E C 1.758 178.361 176.600 0.006 0.000 0.982 149 E CA 0.762 57.175 56.400 0.022 0.000 0.823 149 E CB 0.127 29.803 29.700 -0.039 0.000 0.766 149 E HN 0.442 nan 8.360 nan 0.000 0.468 150 I N 0.118 120.623 120.570 -0.108 0.000 2.585 150 I HA -0.134 3.948 4.170 -0.147 0.000 0.254 150 I C 0.533 176.520 176.117 -0.217 0.000 1.129 150 I CA 0.990 62.190 61.300 -0.167 0.000 1.455 150 I CB -0.351 37.507 38.000 -0.236 0.000 1.111 150 I HN 0.092 nan 8.210 nan 0.000 0.433 151 Y N 1.954 122.319 120.300 0.108 0.000 2.602 151 Y HA 0.296 4.757 4.550 -0.148 0.000 0.373 151 Y C -1.354 174.701 175.900 0.259 0.000 0.960 151 Y CA -2.144 56.059 58.100 0.171 0.000 1.281 151 Y CB -0.328 38.231 38.460 0.166 0.000 1.308 151 Y HN 0.059 nan 8.280 nan 0.000 0.595 152 P HA -0.262 nan 4.420 nan 0.000 0.217 152 P C 1.062 178.517 177.300 0.259 0.000 1.148 152 P CA 1.726 65.039 63.100 0.354 0.000 0.828 152 P CB 0.431 32.309 31.700 0.296 0.000 0.783 153 E N 0.290 120.585 120.200 0.158 0.000 2.516 153 E HA -0.077 4.185 4.350 -0.147 0.000 0.199 153 E C 1.568 178.129 176.600 -0.065 0.000 1.069 153 E CA 0.537 56.948 56.400 0.018 0.000 0.876 153 E CB -0.889 28.800 29.700 -0.018 0.000 0.843 153 E HN 0.367 nan 8.360 nan 0.000 0.530 154 L N -1.122 120.102 121.223 0.003 0.000 2.858 154 L HA 0.296 4.548 4.340 -0.147 0.000 0.251 154 L C 0.784 177.449 176.870 -0.342 0.000 1.149 154 L CA -0.085 54.609 54.840 -0.243 0.000 0.955 154 L CB 0.181 42.017 42.059 -0.373 0.000 1.289 154 L HN -0.068 nan 8.230 nan 0.000 0.542 155 F N -1.148 118.795 119.950 -0.012 0.000 2.746 155 F HA 0.302 4.740 4.527 -0.149 0.000 0.320 155 F C 0.228 176.075 175.800 0.078 0.000 1.097 155 F CA -0.104 57.913 58.000 0.029 0.000 1.195 155 F CB 1.294 40.310 39.000 0.026 0.000 1.056 155 F HN -0.251 nan 8.300 nan 0.000 0.562 156 V N 0.891 120.918 119.914 0.189 0.000 2.760 156 V HA 0.414 4.446 4.120 -0.147 0.000 0.309 156 V C -0.741 175.333 176.094 -0.034 0.000 1.077 156 V CA -0.901 61.471 62.300 0.121 0.000 0.910 156 V CB 1.579 33.498 31.823 0.160 0.000 1.008 156 V HN -0.015 nan 8.190 nan 0.000 0.424 157 N N 3.807 122.478 118.700 -0.049 0.000 2.381 157 N HA 0.080 4.732 4.740 -0.147 0.000 0.241 157 N C 1.218 176.599 175.510 -0.216 0.000 1.279 157 N CA 0.484 53.461 53.050 -0.122 0.000 0.896 157 N CB 0.791 39.241 38.487 -0.063 0.000 1.118 157 N HN 0.742 nan 8.380 nan 0.000 0.438 158 I N -0.770 119.614 120.570 -0.311 0.000 2.423 158 I HA -0.228 3.854 4.170 -0.147 0.000 0.254 158 I C 1.787 177.575 176.117 -0.547 0.000 1.151 158 I CA 1.256 62.221 61.300 -0.559 0.000 1.421 158 I CB -0.557 37.010 38.000 -0.721 0.000 1.079 158 I HN 0.494 nan 8.210 nan 0.000 0.431 159 D N 1.162 121.410 120.400 -0.253 0.000 2.123 159 D HA -0.300 4.252 4.640 -0.147 0.000 0.196 159 D C 2.110 178.367 176.300 -0.072 0.000 0.992 159 D CA 2.374 56.319 54.000 -0.092 0.000 0.833 159 D CB -0.949 39.852 40.800 0.002 0.000 0.954 159 D HN 0.533 nan 8.370 nan 0.000 0.455 160 T N -1.438 113.052 114.554 -0.106 0.000 2.985 160 T HA -0.054 4.208 4.350 -0.147 0.000 0.266 160 T C 1.989 176.531 174.700 -0.263 0.000 1.076 160 T CA 1.752 63.795 62.100 -0.096 0.000 1.135 160 T CB -0.594 68.245 68.868 -0.049 0.000 0.890 160 T HN 0.096 nan 8.240 nan 0.000 0.480 161 T N 0.965 115.299 114.554 -0.367 0.000 2.746 161 T HA -0.032 4.230 4.350 -0.147 0.000 0.267 161 T C 1.409 175.725 174.700 -0.640 0.000 1.039 161 T CA 1.339 63.096 62.100 -0.571 0.000 1.142 161 T CB -0.472 68.007 68.868 -0.649 0.000 0.866 161 T HN 0.436 nan 8.240 nan 0.000 0.444 162 Y N 1.583 121.630 120.300 -0.422 0.000 2.293 162 Y HA 0.054 4.512 4.550 -0.154 0.000 0.291 162 Y C 2.304 178.136 175.900 -0.114 0.000 1.137 162 Y CA 0.118 58.077 58.100 -0.237 0.000 1.202 162 Y CB -0.503 37.916 38.460 -0.069 0.000 0.990 162 Y HN 0.214 nan 8.280 nan 0.000 0.537 163 K N -0.575 119.850 120.400 0.042 0.000 2.097 163 K HA -0.158 4.074 4.320 -0.147 0.000 0.206 163 K C 2.077 178.696 176.600 0.032 0.000 1.049 163 K CA 1.429 57.777 56.287 0.102 0.000 0.933 163 K CB -0.205 32.424 32.500 0.214 0.000 0.717 163 K HN 0.289 nan 8.250 nan 0.000 0.442 164 M N -0.437 118.990 119.600 -0.289 0.000 2.200 164 M HA -0.092 4.300 4.480 -0.147 0.000 0.265 164 M C 1.607 177.948 176.300 0.069 0.000 1.066 164 M CA 1.244 56.337 55.300 -0.344 0.000 1.127 164 M CB -0.139 32.138 32.600 -0.539 0.000 1.379 164 M HN 0.033 nan 8.290 nan 0.000 0.420 165 F N 0.470 120.426 119.950 0.010 0.000 2.134 165 F HA -0.130 4.306 4.527 -0.152 0.000 0.299 165 F C 2.593 178.406 175.800 0.022 0.000 1.097 165 F CA 1.236 59.268 58.000 0.053 0.000 1.264 165 F CB -1.179 37.887 39.000 0.110 0.000 1.001 165 F HN 0.148 nan 8.300 nan 0.000 0.479 166 R N 0.011 120.648 120.500 0.227 0.000 2.080 166 R HA -0.163 4.089 4.340 -0.147 0.000 0.236 166 R C 2.129 178.479 176.300 0.084 0.000 1.137 166 R CA 2.222 58.392 56.100 0.118 0.000 0.943 166 R CB -0.578 29.776 30.300 0.091 0.000 0.846 166 R HN 0.206 nan 8.270 nan 0.000 0.431 167 T N 0.948 115.557 114.554 0.093 0.000 2.684 167 T HA -0.183 4.079 4.350 -0.147 0.000 0.267 167 T C 1.711 176.392 174.700 -0.033 0.000 1.036 167 T CA 1.808 63.917 62.100 0.016 0.000 1.148 167 T CB -0.208 68.666 68.868 0.010 0.000 0.863 167 T HN 0.145 nan 8.240 nan 0.000 0.436 168 K N 1.004 121.414 120.400 0.016 0.000 2.097 168 K HA 0.120 4.352 4.320 -0.147 0.000 0.206 168 K C 2.169 178.776 176.600 0.012 0.000 1.049 168 K CA 1.330 57.627 56.287 0.017 0.000 0.933 168 K CB -0.415 32.136 32.500 0.085 0.000 0.717 168 K HN 0.339 nan 8.250 nan 0.000 0.442 169 M N 0.008 119.621 119.600 0.022 0.000 2.296 169 M HA -0.144 4.248 4.480 -0.147 0.000 0.265 169 M C 1.715 178.012 176.300 -0.004 0.000 1.064 169 M CA 1.492 56.790 55.300 -0.003 0.000 1.109 169 M CB -0.045 32.550 32.600 -0.008 0.000 1.396 169 M HN 0.179 nan 8.290 nan 0.000 0.430 170 Q N -0.305 119.497 119.800 0.003 0.000 2.424 170 Q HA -0.009 4.243 4.340 -0.147 0.000 0.204 170 Q C 0.149 176.151 176.000 0.003 0.000 0.933 170 Q CA -0.018 55.788 55.803 0.005 0.000 0.929 170 Q CB -0.007 28.741 28.738 0.017 0.000 1.037 170 Q HN 0.439 nan 8.270 nan 0.000 0.511 171 N N 0.111 118.805 118.700 -0.010 0.000 2.756 171 N HA -0.175 4.477 4.740 -0.147 0.000 0.248 171 N C -0.478 175.035 175.510 0.005 0.000 1.062 171 N CA 1.123 54.170 53.050 -0.006 0.000 0.696 171 N CB -1.126 37.366 38.487 0.008 0.000 0.946 171 N HN 0.506 nan 8.380 nan 0.000 0.548 172 G N -1.580 107.194 108.800 -0.044 0.000 2.343 172 G HA2 0.071 3.943 3.960 -0.147 0.000 0.562 172 G HA3 0.071 3.943 3.960 -0.147 0.000 0.562 172 G C -1.098 173.836 174.900 0.056 0.000 1.269 172 G CA -0.470 44.639 45.100 0.016 0.000 1.011 172 G HN 0.388 nan 8.290 nan 0.000 0.498 173 L N 0.813 122.145 121.223 0.181 0.000 2.292 173 L HA 0.463 4.715 4.340 -0.147 0.000 0.284 173 L C 1.546 178.484 176.870 0.114 0.000 1.065 173 L CA -0.726 54.208 54.840 0.157 0.000 0.806 173 L CB 1.324 43.512 42.059 0.215 0.000 1.175 173 L HN 0.556 nan 8.230 nan 0.000 0.431 174 I N 1.820 122.443 120.570 0.089 0.000 2.584 174 I HA -0.066 4.016 4.170 -0.147 0.000 0.255 174 I C 0.832 176.993 176.117 0.073 0.000 1.145 174 I CA 0.991 62.333 61.300 0.070 0.000 1.462 174 I CB 0.162 38.195 38.000 0.054 0.000 1.102 174 I HN 0.709 nan 8.210 nan 0.000 0.433 175 N N 0.930 119.682 118.700 0.088 0.000 2.725 175 N HA 0.160 4.812 4.740 -0.147 0.000 0.248 175 N C -1.991 173.581 175.510 0.102 0.000 1.402 175 N CA -1.214 51.887 53.050 0.085 0.000 0.766 175 N CB 1.114 39.651 38.487 0.084 0.000 1.223 175 N HN -0.171 nan 8.380 nan 0.000 0.515 176 P HA -0.255 nan 4.420 nan 0.000 0.217 176 P C 0.898 178.253 177.300 0.092 0.000 1.151 176 P CA 1.310 64.471 63.100 0.101 0.000 0.849 176 P CB 0.415 32.163 31.700 0.079 0.000 0.787 177 E N -0.144 120.100 120.200 0.073 0.000 2.110 177 E HA -0.136 4.126 4.350 -0.147 0.000 0.193 177 E C 2.103 178.739 176.600 0.061 0.000 0.988 177 E CA 1.102 57.536 56.400 0.056 0.000 0.804 177 E CB -0.341 29.383 29.700 0.040 0.000 0.745 177 E HN 0.152 nan 8.360 nan 0.000 0.458 178 A N 1.005 123.879 122.820 0.091 0.000 1.929 178 A HA 0.012 4.244 4.320 -0.147 0.000 0.216 178 A C 2.354 180.047 177.584 0.183 0.000 1.176 178 A CA 1.369 53.479 52.037 0.121 0.000 0.628 178 A CB -0.565 18.534 19.000 0.166 0.000 0.816 178 A HN 0.371 nan 8.150 nan 0.000 0.444 179 A N -0.292 122.664 122.820 0.227 0.000 1.978 179 A HA -0.043 4.189 4.320 -0.147 0.000 0.220 179 A C 2.132 179.865 177.584 0.248 0.000 1.170 179 A CA 1.763 53.985 52.037 0.309 0.000 0.636 179 A CB -0.933 18.200 19.000 0.221 0.000 0.810 179 A HN 0.417 nan 8.150 nan 0.000 0.448 180 V N 0.537 120.543 119.914 0.154 0.000 2.469 180 V HA -0.210 3.822 4.120 -0.147 0.000 0.251 180 V C 2.123 178.281 176.094 0.107 0.000 1.064 180 V CA 1.982 64.388 62.300 0.177 0.000 1.066 180 V CB -0.703 31.197 31.823 0.129 0.000 0.667 180 V HN 0.528 nan 8.190 nan 0.000 0.461 181 E N -0.969 119.156 120.200 -0.126 0.000 2.516 181 E HA -0.082 4.180 4.350 -0.147 0.000 0.199 181 E C 1.008 177.330 176.600 -0.462 0.000 1.069 181 E CA 0.753 56.933 56.400 -0.366 0.000 0.876 181 E CB -0.103 29.262 29.700 -0.559 0.000 0.843 181 E HN 0.840 nan 8.360 nan 0.000 0.530 182 Y N -0.906 119.494 120.300 0.167 0.000 2.612 182 Y HA 0.334 4.921 4.550 0.063 0.000 0.250 182 Y C 1.455 177.494 175.900 0.232 0.000 1.175 182 Y CA -0.024 58.181 58.100 0.175 0.000 1.205 182 Y CB 1.044 39.592 38.460 0.147 0.000 1.201 182 Y HN 0.064 nan 8.280 nan 0.000 0.532 183 G N 1.239 110.278 108.800 0.398 0.000 2.143 183 G HA2 -0.295 3.577 3.960 -0.147 0.000 0.249 183 G HA3 -0.295 3.577 3.960 -0.147 0.000 0.249 183 G C -0.119 174.915 174.900 0.223 0.000 0.981 183 G CA 0.008 45.326 45.100 0.364 0.000 0.665 183 G HN 0.349 nan 8.290 nan 0.000 0.528 184 I N 0.891 121.572 120.570 0.185 0.000 2.307 184 I HA 0.548 4.630 4.170 -0.147 0.000 0.289 184 I C 0.189 176.310 176.117 0.006 0.000 1.021 184 I CA -0.986 60.292 61.300 -0.036 0.000 1.224 184 I CB 1.567 39.592 38.000 0.042 0.000 1.376 184 I HN -0.100 nan 8.210 nan 0.000 0.470 185 V N 5.941 125.803 119.914 -0.087 0.000 2.914 185 V HA 0.411 4.443 4.120 -0.147 0.000 0.314 185 V C -0.265 175.775 176.094 -0.091 0.000 1.084 185 V CA -0.960 61.331 62.300 -0.015 0.000 0.963 185 V CB 2.618 34.472 31.823 0.051 0.000 1.025 185 V HN 0.590 nan 8.190 nan 0.000 0.432 186 K N 2.241 122.590 120.400 -0.084 0.000 2.235 186 K HA 0.557 4.789 4.320 -0.147 0.000 0.266 186 K C -0.774 175.742 176.600 -0.139 0.000 0.980 186 K CA -0.358 55.809 56.287 -0.200 0.000 0.849 186 K CB 1.031 33.391 32.500 -0.234 0.000 1.098 186 K HN 0.749 nan 8.250 nan 0.000 0.445 187 E N 4.258 124.374 120.200 -0.140 0.000 2.244 187 E HA 0.115 4.377 4.350 -0.147 0.000 0.260 187 E C -0.952 175.629 176.600 -0.031 0.000 0.884 187 E CA -0.573 55.779 56.400 -0.080 0.000 0.777 187 E CB 1.207 30.855 29.700 -0.087 0.000 1.197 187 E HN 0.739 nan 8.360 nan 0.000 0.416 188 D N 2.139 122.523 120.400 -0.026 0.000 3.955 188 D HA -0.278 4.274 4.640 -0.147 0.000 0.142 188 D C 0.243 176.526 176.300 -0.029 0.000 0.877 188 D CA 1.356 55.365 54.000 0.016 0.000 1.100 188 D CB -0.556 40.315 40.800 0.118 0.000 0.533 188 D HN 0.504 nan 8.370 nan 0.000 0.546 189 N N 0.068 118.774 118.700 0.010 0.000 2.214 189 N HA 0.185 4.837 4.740 -0.147 0.000 0.214 189 N C -0.825 174.513 175.510 -0.286 0.000 1.132 189 N CA 0.039 52.998 53.050 -0.151 0.000 0.856 189 N CB 0.285 38.684 38.487 -0.146 0.000 1.020 189 N HN 0.327 nan 8.380 nan 0.000 0.509 190 H N -1.052 117.929 119.070 -0.148 0.000 2.499 190 H HA 0.349 4.816 4.556 -0.149 0.000 0.340 190 H C -0.937 174.252 175.328 -0.231 0.000 1.148 190 H CA -0.418 55.577 56.048 -0.088 0.000 1.215 190 H CB 0.670 30.409 29.762 -0.038 0.000 1.529 190 H HN 0.028 nan 8.280 nan 0.000 0.510 191 Y N 1.051 121.406 120.300 0.093 0.000 2.369 191 Y HA 0.354 4.813 4.550 -0.152 0.000 0.337 191 Y C -0.342 175.470 175.900 -0.147 0.000 0.961 191 Y CA -0.736 57.334 58.100 -0.051 0.000 1.186 191 Y CB 0.911 39.389 38.460 0.030 0.000 1.139 191 Y HN 0.306 nan 8.280 nan 0.000 0.494 192 V N 4.714 124.506 119.914 -0.202 0.000 2.481 192 V HA 0.247 4.279 4.120 -0.147 0.000 0.286 192 V C -0.863 174.924 176.094 -0.511 0.000 1.042 192 V CA -1.003 61.127 62.300 -0.284 0.000 0.928 192 V CB 0.644 32.261 31.823 -0.343 0.000 0.986 192 V HN 0.538 nan 8.190 nan 0.000 0.462 193 Y N 3.439 123.628 120.300 -0.185 0.000 2.376 193 Y HA 0.476 4.930 4.550 -0.159 0.000 0.326 193 Y C -0.298 175.486 175.900 -0.194 0.000 0.970 193 Y CA -0.749 57.288 58.100 -0.105 0.000 1.248 193 Y CB 0.957 39.380 38.460 -0.061 0.000 1.117 193 Y HN 0.536 nan 8.280 nan 0.000 0.476 194 Y N 1.779 122.029 120.300 -0.084 0.000 2.496 194 Y HA 0.189 4.648 4.550 -0.152 0.000 0.334 194 Y C 0.761 176.681 175.900 0.032 0.000 1.080 194 Y CA 0.381 58.432 58.100 -0.081 0.000 1.355 194 Y CB 0.953 39.291 38.460 -0.203 0.000 1.193 194 Y HN 0.447 nan 8.280 nan 0.000 0.523 195 S N 4.858 120.621 115.700 0.105 0.000 2.640 195 S HA 0.356 4.738 4.470 -0.147 0.000 0.320 195 S C -0.623 173.942 174.600 -0.058 0.000 1.097 195 S CA -1.019 57.209 58.200 0.047 0.000 1.092 195 S CB -0.020 63.189 63.200 0.014 0.000 0.988 195 S HN 0.629 nan 8.310 nan 0.000 0.470 196 N N 2.890 121.584 118.700 -0.010 0.000 2.503 196 N HA 0.236 4.888 4.740 -0.147 0.000 0.267 196 N C -0.749 174.690 175.510 -0.119 0.000 1.214 196 N CA 0.131 53.146 53.050 -0.059 0.000 0.959 196 N CB 0.220 38.751 38.487 0.074 0.000 1.142 196 N HN 0.554 nan 8.380 nan 0.000 0.455 197 Y N 0.074 120.461 120.300 0.145 0.000 2.326 197 Y HA -0.033 4.432 4.550 -0.142 0.000 0.333 197 Y C 2.042 177.994 175.900 0.086 0.000 1.240 197 Y CA -0.494 57.678 58.100 0.120 0.000 1.365 197 Y CB 0.440 38.987 38.460 0.146 0.000 1.289 197 Y HN 0.549 nan 8.280 nan 0.000 0.548 198 S N 0.309 116.139 115.700 0.217 0.000 2.465 198 S HA -0.230 4.152 4.470 -0.147 0.000 0.241 198 S C 1.342 175.975 174.600 0.055 0.000 1.000 198 S CA 1.264 59.533 58.200 0.116 0.000 0.964 198 S CB -0.590 62.680 63.200 0.118 0.000 0.763 198 S HN 0.847 nan 8.310 nan 0.000 0.512 199 N N 2.478 121.206 118.700 0.047 0.000 2.573 199 N HA 0.043 4.695 4.740 -0.147 0.000 0.187 199 N C 1.167 176.680 175.510 0.005 0.000 1.107 199 N CA 1.002 54.011 53.050 -0.068 0.000 0.918 199 N CB -0.491 37.955 38.487 -0.068 0.000 0.966 199 N HN 0.614 nan 8.380 nan 0.000 0.448 200 A N -0.444 122.369 122.820 -0.013 0.000 2.345 200 A HA 0.363 4.595 4.320 -0.147 0.000 0.225 200 A C 1.482 179.012 177.584 -0.090 0.000 1.243 200 A CA -0.165 51.766 52.037 -0.177 0.000 0.875 200 A CB -0.123 18.813 19.000 -0.107 0.000 0.929 200 A HN 0.275 nan 8.150 nan 0.000 0.502 201 I N -3.111 117.449 120.570 -0.016 0.000 4.916 201 I HA 0.234 4.316 4.170 -0.147 0.000 0.335 201 I C 0.033 176.168 176.117 0.030 0.000 1.274 201 I CA 1.019 62.324 61.300 0.009 0.000 1.365 201 I CB 1.391 39.407 38.000 0.028 0.000 1.395 201 I HN 0.014 nan 8.210 nan 0.000 0.485 202 T N -0.574 114.007 114.554 0.045 0.000 3.193 202 T HA 0.325 4.587 4.350 -0.147 0.000 0.332 202 T C -2.019 172.700 174.700 0.031 0.000 1.208 202 T CA -0.189 61.958 62.100 0.079 0.000 1.080 202 T CB 0.659 69.603 68.868 0.127 0.000 1.180 202 T HN -0.025 nan 8.240 nan 0.000 0.469 203 Y N 5.735 125.996 120.300 -0.065 0.000 2.562 203 Y HA 0.287 4.748 4.550 -0.149 0.000 0.363 203 Y C 0.747 176.566 175.900 -0.135 0.000 0.991 203 Y CA -1.157 56.845 58.100 -0.162 0.000 1.121 203 Y CB -0.045 38.355 38.460 -0.100 0.000 1.159 203 Y HN 0.818 nan 8.280 nan 0.000 0.651 204 Y N -0.832 119.494 120.300 0.044 0.000 2.497 204 Y HA 0.081 4.541 4.550 -0.149 0.000 0.292 204 Y C 0.155 176.126 175.900 0.118 0.000 1.137 204 Y CA 0.417 58.542 58.100 0.043 0.000 1.285 204 Y CB -0.346 38.078 38.460 -0.059 0.000 0.991 204 Y HN 0.353 nan 8.280 nan 0.000 0.556 205 N N -0.901 117.755 118.700 -0.074 0.000 3.046 205 N HA 0.063 4.715 4.740 -0.147 0.000 0.243 205 N C -0.039 175.474 175.510 0.005 0.000 1.452 205 N CA -0.435 52.650 53.050 0.059 0.000 0.882 205 N CB 0.490 39.052 38.487 0.124 0.000 1.425 205 N HN 0.203 nan 8.380 nan 0.000 0.517 206 E N -0.909 119.347 120.200 0.093 0.000 2.265 206 E HA -0.162 4.100 4.350 -0.147 0.000 0.196 206 E C 0.275 176.889 176.600 0.024 0.000 0.996 206 E CA 0.944 57.420 56.400 0.126 0.000 0.832 206 E CB -0.213 29.558 29.700 0.118 0.000 0.756 206 E HN 0.560 nan 8.360 nan 0.000 0.491 207 E N 0.982 121.164 120.200 -0.030 0.000 2.333 207 E HA -0.149 4.113 4.350 -0.147 0.000 0.198 207 E C 1.911 178.430 176.600 -0.134 0.000 1.007 207 E CA 0.578 56.955 56.400 -0.038 0.000 0.845 207 E CB -0.080 29.638 29.700 0.029 0.000 0.766 207 E HN 0.389 nan 8.360 nan 0.000 0.507 208 Q N 0.447 120.038 119.800 -0.349 0.000 2.291 208 Q HA -0.159 4.093 4.340 -0.147 0.000 0.206 208 Q C 2.105 177.871 176.000 -0.390 0.000 0.976 208 Q CA 0.959 56.424 55.803 -0.564 0.000 0.875 208 Q CB -0.337 27.686 28.738 -1.192 0.000 0.927 208 Q HN 0.241 nan 8.270 nan 0.000 0.450 209 R N 0.100 120.494 120.500 -0.178 0.000 2.159 209 R HA -0.130 4.122 4.340 -0.147 0.000 0.237 209 R C 1.167 177.556 176.300 0.148 0.000 1.131 209 R CA 1.028 57.212 56.100 0.139 0.000 0.982 209 R CB -0.193 30.256 30.300 0.248 0.000 0.868 209 R HN 0.067 nan 8.270 nan 0.000 0.453 210 L N 0.591 121.801 121.223 -0.022 0.000 2.611 210 L HA 0.353 4.605 4.340 -0.147 0.000 0.229 210 L C 1.817 178.513 176.870 -0.289 0.000 1.137 210 L CA 0.831 55.556 54.840 -0.191 0.000 0.901 210 L CB -0.189 41.759 42.059 -0.185 0.000 1.098 210 L HN 0.347 nan 8.230 nan 0.000 0.456 211 A N -0.088 122.664 122.820 -0.113 0.000 1.986 211 A HA -0.283 3.949 4.320 -0.147 0.000 0.220 211 A C 2.102 179.487 177.584 -0.331 0.000 1.171 211 A CA 2.135 54.115 52.037 -0.096 0.000 0.640 211 A CB -0.939 18.086 19.000 0.042 0.000 0.811 211 A HN 0.611 nan 8.150 nan 0.000 0.451 212 Y N -3.178 116.928 120.300 -0.324 0.000 2.333 212 Y HA 0.020 4.481 4.550 -0.148 0.000 0.290 212 Y C 1.879 177.511 175.900 -0.446 0.000 1.144 212 Y CA 0.929 58.548 58.100 -0.802 0.000 1.228 212 Y CB -0.754 37.551 38.460 -0.257 0.000 0.985 212 Y HN 0.253 nan 8.280 nan 0.000 0.542 213 F N 2.200 121.529 119.950 -1.035 0.000 2.222 213 F HA 0.002 4.440 4.527 -0.147 0.000 0.285 213 F C 2.611 178.232 175.800 -0.297 0.000 1.068 213 F CA 1.876 59.519 58.000 -0.595 0.000 1.265 213 F CB -0.780 37.799 39.000 -0.702 0.000 1.087 213 F HN 0.077 nan 8.300 nan 0.000 0.511 214 T N -2.195 112.298 114.554 -0.101 0.000 2.897 214 T HA -0.171 4.091 4.350 -0.147 0.000 0.271 214 T C 1.357 176.000 174.700 -0.095 0.000 1.084 214 T CA 1.805 63.888 62.100 -0.029 0.000 1.123 214 T CB -0.508 68.433 68.868 0.121 0.000 0.865 214 T HN 0.473 nan 8.240 nan 0.000 0.496 215 E N 0.669 120.787 120.200 -0.136 0.000 2.498 215 E HA 0.168 4.430 4.350 -0.147 0.000 0.203 215 E C -0.185 176.432 176.600 0.028 0.000 1.013 215 E CA -0.362 56.032 56.400 -0.009 0.000 0.927 215 E CB 0.240 30.027 29.700 0.145 0.000 1.012 215 E HN 0.568 nan 8.360 nan 0.000 0.482 216 D N 1.015 121.332 120.400 -0.138 0.000 2.487 216 D HA -0.078 4.474 4.640 -0.147 0.000 0.243 216 D C 1.537 177.865 176.300 0.048 0.000 1.154 216 D CA 0.075 54.046 54.000 -0.047 0.000 0.876 216 D CB 0.665 41.355 40.800 -0.182 0.000 1.161 216 D HN 0.175 nan 8.370 nan 0.000 0.478 217 I N 1.418 122.039 120.570 0.085 0.000 2.361 217 I HA -0.019 4.063 4.170 -0.147 0.000 0.251 217 I C 1.886 178.073 176.117 0.116 0.000 1.133 217 I CA 1.130 62.491 61.300 0.102 0.000 1.413 217 I CB -0.516 37.238 38.000 -0.410 0.000 1.073 217 I HN 0.439 nan 8.210 nan 0.000 0.424 218 G N 1.755 110.551 108.800 -0.006 0.000 2.402 218 G HA2 -0.218 3.654 3.960 -0.147 0.000 0.216 218 G HA3 -0.218 3.654 3.960 -0.147 0.000 0.216 218 G C 1.596 176.634 174.900 0.231 0.000 1.162 218 G CA 0.933 46.111 45.100 0.130 0.000 0.777 218 G HN 0.390 nan 8.290 nan 0.000 0.539 219 L N 1.215 122.492 121.223 0.091 0.000 2.012 219 L HA -0.032 4.220 4.340 -0.147 0.000 0.210 219 L C 2.377 179.407 176.870 0.266 0.000 1.073 219 L CA 2.233 57.121 54.840 0.080 0.000 0.748 219 L CB -0.802 41.096 42.059 -0.269 0.000 0.891 219 L HN 0.208 nan 8.230 nan 0.000 0.431 220 N N -0.478 118.360 118.700 0.230 0.000 2.166 220 N HA -0.112 4.540 4.740 -0.147 0.000 0.186 220 N C 1.800 177.594 175.510 0.474 0.000 1.019 220 N CA 1.347 54.564 53.050 0.279 0.000 0.856 220 N CB -0.357 38.211 38.487 0.135 0.000 0.993 220 N HN 0.518 nan 8.380 nan 0.000 0.426 221 A N -0.003 123.163 122.820 0.576 0.000 1.930 221 A HA -0.172 4.060 4.320 -0.147 0.000 0.217 221 A C 1.975 179.882 177.584 0.538 0.000 1.175 221 A CA 0.960 53.281 52.037 0.473 0.000 0.627 221 A CB -0.953 18.293 19.000 0.410 0.000 0.815 221 A HN 0.481 nan 8.150 nan 0.000 0.443 222 Y N -1.071 119.531 120.300 0.504 0.000 2.207 222 Y HA -0.297 4.165 4.550 -0.147 0.000 0.287 222 Y C 2.045 178.331 175.900 0.644 0.000 1.156 222 Y CA 1.821 60.272 58.100 0.584 0.000 1.182 222 Y CB -0.614 38.115 38.460 0.448 0.000 0.979 222 Y HN 0.485 nan 8.280 nan 0.000 0.521 223 Y N -1.200 119.275 120.300 0.292 0.000 2.286 223 Y HA -0.195 4.267 4.550 -0.147 0.000 0.293 223 Y C 2.323 178.416 175.900 0.322 0.000 1.124 223 Y CA 1.033 59.271 58.100 0.231 0.000 1.178 223 Y CB -0.484 38.102 38.460 0.211 0.000 1.010 223 Y HN 0.183 nan 8.280 nan 0.000 0.536 224 F N -0.203 119.834 119.950 0.145 0.000 2.134 224 F HA -0.294 4.146 4.527 -0.145 0.000 0.299 224 F C 1.568 177.295 175.800 -0.122 0.000 1.097 224 F CA 1.521 59.487 58.000 -0.056 0.000 1.264 224 F CB -0.462 38.441 39.000 -0.160 0.000 1.001 224 F HN 0.010 nan 8.300 nan 0.000 0.479 225 F N -0.354 119.654 119.950 0.096 0.000 2.171 225 F HA -0.159 4.280 4.527 -0.146 0.000 0.300 225 F C 2.191 177.970 175.800 -0.034 0.000 1.090 225 F CA 1.284 59.297 58.000 0.020 0.000 1.293 225 F CB -1.453 37.739 39.000 0.319 0.000 1.013 225 F HN 0.099 nan 8.300 nan 0.000 0.486 226 F N 0.440 120.361 119.950 -0.049 0.000 2.120 226 F HA -0.276 4.163 4.527 -0.147 0.000 0.300 226 F C 2.709 178.305 175.800 -0.339 0.000 1.095 226 F CA 2.276 60.086 58.000 -0.316 0.000 1.249 226 F CB -0.886 37.618 39.000 -0.827 0.000 0.995 226 F HN 0.095 nan 8.300 nan 0.000 0.480 227 H N 0.754 119.371 119.070 -0.754 0.000 2.276 227 H HA -0.131 4.337 4.556 -0.147 0.000 0.301 227 H C 2.210 177.074 175.328 -0.774 0.000 1.073 227 H CA 2.739 58.172 56.048 -1.025 0.000 1.311 227 H CB -0.752 28.099 29.762 -1.519 0.000 1.379 227 H HN 0.413 nan 8.280 nan 0.000 0.494 228 I N -1.709 118.350 120.570 -0.850 0.000 2.614 228 I HA -0.174 3.908 4.170 -0.147 0.000 0.258 228 I C 2.130 177.993 176.117 -0.422 0.000 1.189 228 I CA 1.548 62.385 61.300 -0.772 0.000 1.462 228 I CB -0.617 36.953 38.000 -0.717 0.000 1.092 228 I HN 0.236 nan 8.210 nan 0.000 0.442 229 H N 1.862 120.741 119.070 -0.317 0.000 2.389 229 H HA 0.112 4.580 4.556 -0.147 0.000 0.299 229 H C 0.282 175.532 175.328 -0.129 0.000 1.081 229 H CA 1.149 57.157 56.048 -0.066 0.000 1.345 229 H CB 0.406 30.172 29.762 0.006 0.000 1.393 229 H HN 0.400 nan 8.280 nan 0.000 0.520 230 L N 1.039 122.108 121.223 -0.257 0.000 2.588 230 L HA 0.347 4.599 4.340 -0.147 0.000 0.256 230 L C -2.885 173.611 176.870 -0.623 0.000 1.083 230 L CA -1.524 53.115 54.840 -0.334 0.000 0.909 230 L CB 1.400 43.266 42.059 -0.322 0.000 1.121 230 L HN -0.189 nan 8.230 nan 0.000 0.470 231 P HA 0.142 nan 4.420 nan 0.000 0.267 231 P C 0.799 177.629 177.300 -0.784 0.000 1.200 231 P CA 0.007 62.362 63.100 -1.241 0.000 0.772 231 P CB 0.314 30.712 31.700 -2.170 0.000 0.855 232 F N 1.436 121.237 119.950 -0.249 0.000 2.216 232 F HA -0.084 4.355 4.527 -0.147 0.000 0.300 232 F C 1.654 177.490 175.800 0.060 0.000 1.085 232 F CA 0.452 58.464 58.000 0.021 0.000 1.326 232 F CB -1.405 37.760 39.000 0.274 0.000 1.027 232 F HN 0.388 nan 8.300 nan 0.000 0.497 233 W N -1.130 119.859 121.300 -0.519 0.000 2.800 233 W HA 0.076 4.648 4.660 -0.147 0.000 0.249 233 W C -0.053 176.489 176.519 0.040 0.000 1.294 233 W CA -0.702 56.532 57.345 -0.186 0.000 1.402 233 W CB -1.110 28.112 29.460 -0.397 0.000 1.126 233 W HN 0.137 nan 8.180 nan 0.000 0.652 234 W N 2.682 123.654 121.300 -0.547 0.000 2.578 234 W HA 0.450 5.023 4.660 -0.146 0.000 0.346 234 W C 0.317 176.715 176.519 -0.203 0.000 1.075 234 W CA -1.620 55.495 57.345 -0.383 0.000 1.233 234 W CB 1.310 30.236 29.460 -0.891 0.000 1.358 234 W HN -0.380 nan 8.180 nan 0.000 0.574 235 T N 2.266 116.606 114.554 -0.355 0.000 2.860 235 T HA 0.393 4.655 4.350 -0.147 0.000 0.299 235 T C 0.843 175.225 174.700 -0.529 0.000 1.045 235 T CA 0.355 62.232 62.100 -0.372 0.000 1.071 235 T CB 0.990 69.660 68.868 -0.329 0.000 0.985 235 T HN 0.569 nan 8.240 nan 0.000 0.537 236 A N 2.436 125.080 122.820 -0.292 0.000 2.251 236 A HA 0.223 4.455 4.320 -0.147 0.000 0.209 236 A C 1.830 179.299 177.584 -0.192 0.000 1.187 236 A CA 0.808 52.726 52.037 -0.199 0.000 0.823 236 A CB -0.666 18.261 19.000 -0.122 0.000 0.846 236 A HN 0.961 nan 8.150 nan 0.000 0.486 237 E N 1.611 121.636 120.200 -0.292 0.000 2.113 237 E HA -0.300 3.962 4.350 -0.147 0.000 0.210 237 E C 1.856 178.332 176.600 -0.206 0.000 1.040 237 E CA 2.213 58.482 56.400 -0.218 0.000 0.847 237 E CB -0.290 29.274 29.700 -0.227 0.000 0.755 237 E HN 0.628 nan 8.360 nan 0.000 0.459 238 K N -0.909 119.284 120.400 -0.344 0.000 2.127 238 K HA -0.216 4.016 4.320 -0.147 0.000 0.208 238 K C 1.144 177.514 176.600 -0.383 0.000 1.047 238 K CA 1.703 57.787 56.287 -0.338 0.000 0.927 238 K CB -0.345 31.901 32.500 -0.423 0.000 0.716 238 K HN 0.326 nan 8.250 nan 0.000 0.450 239 Y N 0.598 120.855 120.300 -0.071 0.000 2.496 239 Y HA 0.133 4.595 4.550 -0.147 0.000 0.313 239 Y C 1.619 177.493 175.900 -0.043 0.000 1.184 239 Y CA 0.067 58.147 58.100 -0.033 0.000 1.275 239 Y CB -0.037 38.395 38.460 -0.047 0.000 1.103 239 Y HN 0.377 nan 8.280 nan 0.000 0.513 240 G N 1.293 110.106 108.800 0.022 0.000 2.879 240 G HA2 -0.516 3.356 3.960 -0.147 0.000 0.353 240 G HA3 -0.516 3.356 3.960 -0.147 0.000 0.353 240 G C 1.536 176.450 174.900 0.025 0.000 1.182 240 G CA 1.248 46.357 45.100 0.015 0.000 0.957 240 G HN 0.425 nan 8.290 nan 0.000 0.587 241 N N 0.586 119.308 118.700 0.036 0.000 2.309 241 N HA -0.023 4.629 4.740 -0.147 0.000 0.182 241 N C 2.233 177.757 175.510 0.023 0.000 1.018 241 N CA 1.427 54.495 53.050 0.030 0.000 0.876 241 N CB -0.317 38.191 38.487 0.035 0.000 0.972 241 N HN 0.451 nan 8.380 nan 0.000 0.434 242 L N 2.210 123.444 121.223 0.018 0.000 2.081 242 L HA -0.169 4.083 4.340 -0.147 0.000 0.212 242 L C 2.228 179.073 176.870 -0.043 0.000 1.080 242 L CA 1.720 56.533 54.840 -0.045 0.000 0.754 242 L CB -0.537 41.440 42.059 -0.136 0.000 0.893 242 L HN 0.051 nan 8.230 nan 0.000 0.433 243 K N -0.530 119.857 120.400 -0.022 0.000 2.020 243 K HA -0.270 3.962 4.320 -0.147 0.000 0.212 243 K C 1.911 178.511 176.600 0.000 0.000 1.050 243 K CA 2.133 58.403 56.287 -0.027 0.000 0.929 243 K CB -0.104 32.378 32.500 -0.029 0.000 0.714 243 K HN 0.300 nan 8.250 nan 0.000 0.443 244 E N 0.049 120.260 120.200 0.018 0.000 2.268 244 E HA -0.107 4.155 4.350 -0.147 0.000 0.195 244 E C 1.053 177.692 176.600 0.065 0.000 0.995 244 E CA 1.077 57.502 56.400 0.041 0.000 0.836 244 E CB 0.125 29.851 29.700 0.043 0.000 0.763 244 E HN 0.235 nan 8.360 nan 0.000 0.491 245 R N -0.497 120.038 120.500 0.058 0.000 2.586 245 R HA 0.285 4.537 4.340 -0.147 0.000 0.336 245 R C 1.520 177.881 176.300 0.101 0.000 1.060 245 R CA -0.174 55.981 56.100 0.093 0.000 1.079 245 R CB 0.318 30.668 30.300 0.082 0.000 1.317 245 R HN -0.041 nan 8.270 nan 0.000 0.568 246 R N 0.460 121.002 120.500 0.070 0.000 2.083 246 R HA -0.116 4.136 4.340 -0.147 0.000 0.237 246 R C 1.959 178.389 176.300 0.215 0.000 1.137 246 R CA 1.972 58.117 56.100 0.074 0.000 0.951 246 R CB -0.392 29.921 30.300 0.022 0.000 0.851 246 R HN 0.355 nan 8.270 nan 0.000 0.434 247 G N 0.058 109.005 108.800 0.244 0.000 2.448 247 G HA2 -0.296 3.576 3.960 -0.147 0.000 0.219 247 G HA3 -0.296 3.576 3.960 -0.147 0.000 0.219 247 G C 1.229 176.469 174.900 0.567 0.000 1.127 247 G CA 0.745 46.094 45.100 0.416 0.000 0.766 247 G HN 0.476 nan 8.290 nan 0.000 0.552 248 E N -0.508 119.938 120.200 0.409 0.000 2.072 248 E HA -0.086 4.176 4.350 -0.147 0.000 0.191 248 E C 2.335 179.186 176.600 0.419 0.000 0.985 248 E CA 0.648 57.276 56.400 0.380 0.000 0.801 248 E CB -0.159 29.702 29.700 0.268 0.000 0.750 248 E HN 0.389 nan 8.360 nan 0.000 0.452 249 M N 0.090 119.912 119.600 0.371 0.000 2.200 249 M HA -0.169 4.223 4.480 -0.147 0.000 0.265 249 M C 1.965 178.603 176.300 0.563 0.000 1.066 249 M CA 1.366 56.914 55.300 0.414 0.000 1.127 249 M CB -0.495 32.230 32.600 0.207 0.000 1.379 249 M HN 0.196 nan 8.290 nan 0.000 0.420 250 Y N 0.509 121.085 120.300 0.460 0.000 2.097 250 Y HA -0.336 4.126 4.550 -0.146 0.000 0.282 250 Y C 2.531 178.769 175.900 0.563 0.000 1.152 250 Y CA 2.764 61.217 58.100 0.587 0.000 1.136 250 Y CB -0.861 37.967 38.460 0.613 0.000 0.975 250 Y HN 0.544 nan 8.280 nan 0.000 0.498 251 H N -1.217 118.133 119.070 0.467 0.000 2.321 251 H HA -0.259 4.210 4.556 -0.146 0.000 0.300 251 H C 2.163 177.574 175.328 0.139 0.000 1.087 251 H CA 2.350 58.417 56.048 0.033 0.000 1.319 251 H CB -0.983 28.427 29.762 -0.588 0.000 1.379 251 H HN 0.551 nan 8.280 nan 0.000 0.501 252 Y N -0.425 119.943 120.300 0.114 0.000 2.097 252 Y HA -0.289 4.174 4.550 -0.146 0.000 0.282 252 Y C 2.265 178.183 175.900 0.031 0.000 1.152 252 Y CA 1.898 60.056 58.100 0.096 0.000 1.136 252 Y CB -0.659 37.959 38.460 0.264 0.000 0.975 252 Y HN 0.310 nan 8.280 nan 0.000 0.498 253 F N -0.141 119.778 119.950 -0.052 0.000 2.069 253 F HA -0.319 4.119 4.527 -0.147 0.000 0.298 253 F C 1.894 177.407 175.800 -0.478 0.000 1.113 253 F CA 2.046 59.845 58.000 -0.335 0.000 1.214 253 F CB -1.088 37.584 39.000 -0.546 0.000 0.978 253 F HN 0.141 nan 8.300 nan 0.000 0.474 254 Y N 0.063 120.149 120.300 -0.356 0.000 2.200 254 Y HA -0.217 4.245 4.550 -0.147 0.000 0.290 254 Y C 2.427 178.080 175.900 -0.412 0.000 1.137 254 Y CA 1.646 59.483 58.100 -0.437 0.000 1.163 254 Y CB -0.743 37.512 38.460 -0.342 0.000 0.988 254 Y HN 0.177 nan 8.280 nan 0.000 0.518 255 D N -0.750 119.475 120.400 -0.292 0.000 2.097 255 D HA -0.195 4.357 4.640 -0.147 0.000 0.195 255 D C 2.063 178.207 176.300 -0.260 0.000 0.989 255 D CA 1.330 55.141 54.000 -0.316 0.000 0.827 255 D CB 0.087 40.589 40.800 -0.497 0.000 0.966 255 D HN 0.135 nan 8.370 nan 0.000 0.456 256 Q N -0.174 119.422 119.800 -0.340 0.000 2.084 256 Q HA -0.134 4.118 4.340 -0.147 0.000 0.202 256 Q C 2.271 178.199 176.000 -0.119 0.000 0.978 256 Q CA 0.665 56.338 55.803 -0.217 0.000 0.844 256 Q CB -0.661 27.805 28.738 -0.454 0.000 0.898 256 Q HN 0.367 nan 8.270 nan 0.000 0.426 257 L N 0.389 121.431 121.223 -0.301 0.000 1.994 257 L HA -0.161 4.091 4.340 -0.147 0.000 0.208 257 L C 2.025 178.878 176.870 -0.029 0.000 1.071 257 L CA 1.490 56.218 54.840 -0.187 0.000 0.745 257 L CB -0.933 40.874 42.059 -0.419 0.000 0.892 257 L HN 0.132 nan 8.230 nan 0.000 0.431 258 L N -0.487 120.711 121.223 -0.042 0.000 2.042 258 L HA -0.198 4.054 4.340 -0.147 0.000 0.210 258 L C 2.524 179.368 176.870 -0.042 0.000 1.076 258 L CA 2.191 57.056 54.840 0.041 0.000 0.749 258 L CB -1.796 40.248 42.059 -0.025 0.000 0.893 258 L HN 0.338 nan 8.230 nan 0.000 0.432 259 T N -1.341 113.096 114.554 -0.195 0.000 2.777 259 T HA -0.209 4.053 4.350 -0.147 0.000 0.266 259 T C 2.055 176.254 174.700 -0.835 0.000 1.040 259 T CA 1.396 63.251 62.100 -0.409 0.000 1.141 259 T CB -0.076 68.567 68.868 -0.374 0.000 0.868 259 T HN 0.099 nan 8.240 nan 0.000 0.444 260 R N 0.477 120.549 120.500 -0.713 0.000 2.096 260 R HA -0.059 4.193 4.340 -0.147 0.000 0.235 260 R C 2.027 178.009 176.300 -0.531 0.000 1.127 260 R CA 1.463 57.030 56.100 -0.888 0.000 0.968 260 R CB -1.052 28.820 30.300 -0.714 0.000 0.861 260 R HN 0.609 nan 8.270 nan 0.000 0.440 261 Y N -0.588 119.480 120.300 -0.386 0.000 2.242 261 Y HA -0.243 4.218 4.550 -0.147 0.000 0.291 261 Y C 1.995 177.667 175.900 -0.380 0.000 1.137 261 Y CA 1.907 59.756 58.100 -0.419 0.000 1.181 261 Y CB -0.434 37.866 38.460 -0.266 0.000 0.989 261 Y HN 0.257 nan 8.280 nan 0.000 0.527 262 Y N -0.457 119.579 120.300 -0.440 0.000 2.165 262 Y HA -0.321 4.141 4.550 -0.147 0.000 0.286 262 Y C 1.778 177.542 175.900 -0.228 0.000 1.155 262 Y CA 1.454 59.329 58.100 -0.376 0.000 1.164 262 Y CB -0.470 37.852 38.460 -0.231 0.000 0.978 262 Y HN 0.127 nan 8.280 nan 0.000 0.513 263 F N 0.928 120.583 119.950 -0.492 0.000 2.126 263 F HA -0.188 4.251 4.527 -0.147 0.000 0.299 263 F C 2.437 177.913 175.800 -0.539 0.000 1.096 263 F CA 1.687 59.397 58.000 -0.484 0.000 1.255 263 F CB -1.312 37.385 39.000 -0.504 0.000 0.997 263 F HN 0.173 nan 8.300 nan 0.000 0.479 264 E N 0.253 120.156 120.200 -0.495 0.000 2.110 264 E HA -0.155 4.107 4.350 -0.147 0.000 0.193 264 E C 2.343 178.608 176.600 -0.558 0.000 0.988 264 E CA 1.082 57.108 56.400 -0.624 0.000 0.804 264 E CB -0.080 28.966 29.700 -1.091 0.000 0.745 264 E HN 0.217 nan 8.360 nan 0.000 0.458 265 R N -0.441 119.675 120.500 -0.640 0.000 2.081 265 R HA -0.140 4.112 4.340 -0.147 0.000 0.235 265 R C 2.144 178.204 176.300 -0.399 0.000 1.131 265 R CA 1.105 56.905 56.100 -0.501 0.000 0.960 265 R CB -0.448 29.580 30.300 -0.453 0.000 0.856 265 R HN 0.183 nan 8.270 nan 0.000 0.436 266 L N 0.761 121.686 121.223 -0.496 0.000 1.970 266 L HA -0.197 4.055 4.340 -0.147 0.000 0.212 266 L C 2.652 179.037 176.870 -0.808 0.000 1.071 266 L CA 2.466 56.974 54.840 -0.553 0.000 0.751 266 L CB -1.406 40.280 42.059 -0.621 0.000 0.889 266 L HN 0.357 nan 8.230 nan 0.000 0.432 267 T N -3.726 110.226 114.554 -1.004 0.000 3.025 267 T HA -0.113 4.149 4.350 -0.147 0.000 0.270 267 T C 1.385 175.831 174.700 -0.423 0.000 1.126 267 T CA 1.139 62.588 62.100 -1.086 0.000 1.105 267 T CB -0.401 68.079 68.868 -0.647 0.000 0.884 267 T HN 0.310 nan 8.240 nan 0.000 0.522 268 N N 0.660 119.183 118.700 -0.296 0.000 2.203 268 N HA 0.218 4.870 4.740 -0.147 0.000 0.207 268 N C 1.268 176.735 175.510 -0.072 0.000 1.130 268 N CA 0.583 53.575 53.050 -0.096 0.000 0.861 268 N CB 0.691 39.144 38.487 -0.057 0.000 1.005 268 N HN 0.647 nan 8.380 nan 0.000 0.507 269 G N 1.411 110.140 108.800 -0.119 0.000 2.198 269 G HA2 -0.248 3.624 3.960 -0.147 0.000 0.260 269 G HA3 -0.248 3.624 3.960 -0.147 0.000 0.260 269 G C 0.576 175.454 174.900 -0.037 0.000 1.025 269 G CA 0.072 45.143 45.100 -0.049 0.000 0.769 269 G HN 0.371 nan 8.290 nan 0.000 0.507 270 L N 0.056 121.233 121.223 -0.077 0.000 2.628 270 L HA 0.391 4.643 4.340 -0.147 0.000 0.229 270 L C 1.947 178.803 176.870 -0.023 0.000 1.137 270 L CA 0.193 55.002 54.840 -0.052 0.000 0.909 270 L CB -0.490 41.513 42.059 -0.094 0.000 1.137 270 L HN 0.831 nan 8.230 nan 0.000 0.470 271 G N 1.088 109.888 108.800 -0.001 0.000 2.622 271 G HA2 -0.341 3.531 3.960 -0.147 0.000 0.272 271 G HA3 -0.341 3.531 3.960 -0.147 0.000 0.272 271 G C 0.298 175.303 174.900 0.175 0.000 1.308 271 G CA 0.017 45.170 45.100 0.088 0.000 0.919 271 G HN 0.381 nan 8.290 nan 0.000 0.565 272 T N -1.436 113.221 114.554 0.172 0.000 2.734 272 T HA 0.440 4.702 4.350 -0.147 0.000 0.314 272 T C 1.129 175.842 174.700 0.021 0.000 1.057 272 T CA 0.183 62.306 62.100 0.040 0.000 1.047 272 T CB 0.428 69.239 68.868 -0.095 0.000 0.991 272 T HN 0.835 nan 8.240 nan 0.000 0.540 273 I N 2.785 123.341 120.570 -0.023 0.000 2.517 273 I HA 0.179 4.261 4.170 -0.147 0.000 0.285 273 I C -1.855 174.279 176.117 0.029 0.000 1.106 273 I CA -1.956 59.381 61.300 0.062 0.000 1.402 273 I CB 0.194 38.244 38.000 0.083 0.000 1.399 273 I HN 0.504 nan 8.210 nan 0.000 0.535 274 P HA 0.035 nan 4.420 nan 0.000 0.266 274 P C -0.575 176.757 177.300 0.054 0.000 1.193 274 P CA 0.099 63.231 63.100 0.052 0.000 0.770 274 P CB 0.531 32.272 31.700 0.068 0.000 0.836 275 E N 1.346 121.556 120.200 0.016 0.000 2.222 275 E HA 0.537 4.798 4.350 -0.147 0.000 0.272 275 E C -0.515 176.098 176.600 0.021 0.000 0.982 275 E CA -0.472 55.893 56.400 -0.058 0.000 0.842 275 E CB 1.049 30.671 29.700 -0.131 0.000 1.144 275 E HN 0.391 nan 8.360 nan 0.000 0.397 276 F N -1.403 118.441 119.950 -0.176 0.000 2.706 276 F HA 0.693 5.133 4.527 -0.146 0.000 0.328 276 F C -0.618 175.044 175.800 -0.231 0.000 1.123 276 F CA -1.105 56.781 58.000 -0.189 0.000 0.978 276 F CB 1.385 40.236 39.000 -0.249 0.000 1.404 276 F HN 0.251 nan 8.300 nan 0.000 0.497 277 S N -0.668 115.045 115.700 0.021 0.000 2.536 277 S HA 0.346 4.728 4.470 -0.147 0.000 0.287 277 S C -0.808 173.866 174.600 0.123 0.000 1.101 277 S CA -0.748 57.436 58.200 -0.027 0.000 0.950 277 S CB 0.789 64.053 63.200 0.107 0.000 1.056 277 S HN 0.783 nan 8.310 nan 0.000 0.481 278 W N 2.094 123.536 121.300 0.237 0.000 2.825 278 W HA 0.142 4.713 4.660 -0.147 0.000 0.243 278 W C 0.210 176.621 176.519 -0.179 0.000 1.293 278 W CA -0.240 57.134 57.345 0.048 0.000 1.403 278 W CB -0.016 29.379 29.460 -0.108 0.000 1.134 278 W HN 0.747 nan 8.180 nan 0.000 0.666 279 Y N -0.733 119.711 120.300 0.240 0.000 2.636 279 Y HA 0.317 4.780 4.550 -0.146 0.000 0.260 279 Y C 0.518 176.437 175.900 0.031 0.000 1.177 279 Y CA -0.236 57.875 58.100 0.018 0.000 1.209 279 Y CB -0.101 38.292 38.460 -0.112 0.000 1.166 279 Y HN -0.352 nan 8.280 nan 0.000 0.531 280 S N -0.456 115.369 115.700 0.209 0.000 2.595 280 S HA 0.484 4.866 4.470 -0.147 0.000 0.281 280 S C -2.807 171.891 174.600 0.163 0.000 1.117 280 S CA -1.456 56.846 58.200 0.170 0.000 0.873 280 S CB 1.902 65.194 63.200 0.153 0.000 1.108 280 S HN -0.221 nan 8.310 nan 0.000 0.477 281 P HA 0.117 nan 4.420 nan 0.000 0.266 281 P C -1.086 176.310 177.300 0.160 0.000 1.195 281 P CA -0.213 62.989 63.100 0.170 0.000 0.768 281 P CB 0.298 32.149 31.700 0.251 0.000 0.838 282 V N 4.833 124.820 119.914 0.121 0.000 2.427 282 V HA 0.027 4.059 4.120 -0.147 0.000 0.268 282 V C 1.810 177.875 176.094 -0.048 0.000 1.046 282 V CA 0.169 62.490 62.300 0.036 0.000 0.970 282 V CB 0.579 32.407 31.823 0.010 0.000 1.001 282 V HN 0.643 nan 8.190 nan 0.000 0.476 283 K N 3.739 124.054 120.400 -0.140 0.000 1.973 283 K HA -0.118 4.114 4.320 -0.147 0.000 0.212 283 K C 1.051 177.361 176.600 -0.482 0.000 1.047 283 K CA 1.718 57.706 56.287 -0.497 0.000 0.937 283 K CB -0.111 32.213 32.500 -0.293 0.000 0.721 283 K HN 0.786 nan 8.250 nan 0.000 0.440 284 T N -0.094 114.335 114.554 -0.208 0.000 2.738 284 T HA 0.411 4.673 4.350 -0.147 0.000 0.294 284 T C 0.394 175.087 174.700 -0.011 0.000 0.914 284 T CA -0.682 61.369 62.100 -0.083 0.000 1.052 284 T CB 1.165 70.030 68.868 -0.005 0.000 0.897 284 T HN 0.306 nan 8.240 nan 0.000 0.522 285 G N 1.558 110.391 108.800 0.055 0.000 2.588 285 G HA2 0.503 4.375 3.960 -0.147 0.000 0.281 285 G HA3 0.503 4.375 3.960 -0.147 0.000 0.281 285 G C -1.001 174.013 174.900 0.191 0.000 1.236 285 G CA -0.685 44.444 45.100 0.050 0.000 0.969 285 G HN 0.996 nan 8.290 nan 0.000 0.504 286 H N -1.958 116.992 119.070 -0.200 0.000 2.954 286 H HA 0.493 4.962 4.556 -0.146 0.000 0.361 286 H C -2.001 173.003 175.328 -0.539 0.000 1.122 286 H CA -0.882 55.089 56.048 -0.128 0.000 1.217 286 H CB 1.431 31.174 29.762 -0.031 0.000 1.776 286 H HN 0.376 nan 8.280 nan 0.000 0.533 287 Y N 4.758 124.488 120.300 -0.950 0.000 2.646 287 Y HA 0.321 4.784 4.550 -0.146 0.000 0.334 287 Y C -2.344 173.197 175.900 -0.599 0.000 1.004 287 Y CA -2.506 55.173 58.100 -0.701 0.000 1.301 287 Y CB 1.255 39.275 38.460 -0.733 0.000 1.093 287 Y HN 0.518 nan 8.280 nan 0.000 0.530 288 P HA 0.129 nan 4.420 nan 0.000 0.271 288 P C -0.068 177.145 177.300 -0.144 0.000 1.226 288 P CA 0.099 63.086 63.100 -0.189 0.000 0.765 288 P CB 0.788 32.510 31.700 0.036 0.000 0.835 289 L N 3.767 124.901 121.223 -0.147 0.000 3.035 289 L HA 0.242 4.494 4.340 -0.147 0.000 0.232 289 L C -0.199 176.517 176.870 -0.257 0.000 1.341 289 L CA -0.132 54.626 54.840 -0.137 0.000 1.177 289 L CB -0.460 41.552 42.059 -0.078 0.000 1.555 289 L HN 0.265 nan 8.230 nan 0.000 0.473 290 L N -0.628 120.347 121.223 -0.413 0.000 2.301 290 L HA 0.714 4.966 4.340 -0.147 0.000 0.264 290 L C 0.055 176.640 176.870 -0.475 0.000 1.016 290 L CA -0.240 54.187 54.840 -0.690 0.000 0.821 290 L CB 2.175 43.350 42.059 -1.473 0.000 1.346 290 L HN -0.079 nan 8.230 nan 0.000 0.429 291 T N -0.516 113.877 114.554 -0.269 0.000 2.868 291 T HA 0.694 4.956 4.350 -0.147 0.000 0.306 291 T C -0.609 174.236 174.700 0.242 0.000 1.224 291 T CA -0.127 62.056 62.100 0.140 0.000 1.012 291 T CB 1.265 70.180 68.868 0.077 0.000 1.221 291 T HN 0.813 nan 8.240 nan 0.000 0.499 292 S N 1.722 117.585 115.700 0.271 0.000 2.718 292 S HA 0.497 4.879 4.470 -0.147 0.000 0.292 292 S C 0.399 175.034 174.600 0.057 0.000 1.125 292 S CA -0.506 57.768 58.200 0.124 0.000 1.013 292 S CB 0.297 63.566 63.200 0.115 0.000 1.192 292 S HN 0.670 nan 8.310 nan 0.000 0.535 293 Y N -0.581 119.787 120.300 0.113 0.000 2.561 293 Y HA 0.185 4.646 4.550 -0.149 0.000 0.291 293 Y C 1.074 176.737 175.900 -0.394 0.000 1.141 293 Y CA 0.471 58.495 58.100 -0.126 0.000 1.303 293 Y CB -0.490 37.840 38.460 -0.216 0.000 1.015 293 Y HN 0.661 nan 8.280 nan 0.000 0.547 294 Y N -2.464 117.943 120.300 0.178 0.000 2.423 294 Y HA 0.281 4.745 4.550 -0.144 0.000 0.257 294 Y C 0.896 176.817 175.900 0.035 0.000 1.087 294 Y CA 0.145 58.291 58.100 0.076 0.000 1.258 294 Y CB 1.008 39.482 38.460 0.024 0.000 1.237 294 Y HN -0.213 nan 8.280 nan 0.000 0.517 295 T N -0.219 114.437 114.554 0.170 0.000 2.830 295 T HA 0.416 4.678 4.350 -0.147 0.000 0.322 295 T C -3.147 171.639 174.700 0.144 0.000 1.501 295 T CA -1.903 60.266 62.100 0.116 0.000 1.036 295 T CB 1.524 70.424 68.868 0.054 0.000 1.379 295 T HN -0.373 nan 8.240 nan 0.000 0.493 296 P HA 0.425 nan 4.420 nan 0.000 0.274 296 P C -0.576 176.881 177.300 0.263 0.000 1.231 296 P CA -0.463 62.757 63.100 0.200 0.000 0.790 296 P CB 0.194 31.975 31.700 0.135 0.000 0.951 297 F N 0.354 120.317 119.950 0.022 0.000 2.545 297 F HA 0.074 4.514 4.527 -0.144 0.000 0.348 297 F C 1.527 177.326 175.800 -0.001 0.000 1.163 297 F CA 0.024 58.045 58.000 0.036 0.000 1.331 297 F CB -0.219 38.811 39.000 0.050 0.000 1.138 297 F HN 0.228 nan 8.300 nan 0.000 0.602 298 S N 2.157 117.913 115.700 0.094 0.000 2.585 298 S HA 0.400 4.782 4.470 -0.147 0.000 0.273 298 S C -0.638 173.924 174.600 -0.062 0.000 1.339 298 S CA -0.883 57.317 58.200 0.000 0.000 1.028 298 S CB 0.755 63.931 63.200 -0.041 0.000 0.906 298 S HN 0.604 nan 8.310 nan 0.000 0.528 299 Q N 0.787 120.480 119.800 -0.179 0.000 2.306 299 Q HA 0.492 4.744 4.340 -0.147 0.000 0.265 299 Q C -0.586 175.110 176.000 -0.507 0.000 1.022 299 Q CA -0.746 54.807 55.803 -0.417 0.000 0.853 299 Q CB 1.865 30.304 28.738 -0.498 0.000 1.327 299 Q HN 0.684 nan 8.270 nan 0.000 0.449 300 R N 3.113 123.229 120.500 -0.640 0.000 2.320 300 R HA 0.367 4.619 4.340 -0.147 0.000 0.319 300 R C -2.622 173.355 176.300 -0.539 0.000 0.969 300 R CA -1.861 53.864 56.100 -0.625 0.000 0.857 300 R CB 0.981 30.960 30.300 -0.536 0.000 1.160 300 R HN 0.462 nan 8.270 nan 0.000 0.491 301 P HA 0.022 nan 4.420 nan 0.000 0.273 301 P C -0.847 176.501 177.300 0.079 0.000 1.250 301 P CA -0.176 62.902 63.100 -0.035 0.000 0.793 301 P CB 0.872 32.658 31.700 0.143 0.000 1.011 302 N N -0.101 118.713 118.700 0.190 0.000 2.479 302 N HA 0.094 4.746 4.740 -0.147 0.000 0.257 302 N C -0.438 175.186 175.510 0.191 0.000 1.232 302 N CA -0.127 52.975 53.050 0.087 0.000 0.920 302 N CB -0.494 38.084 38.487 0.152 0.000 1.105 302 N HN 0.312 nan 8.380 nan 0.000 0.444 303 F N -0.219 119.828 119.950 0.161 0.000 3.039 303 F HA -0.248 4.191 4.527 -0.147 0.000 0.287 303 F C -0.282 175.622 175.800 0.175 0.000 0.956 303 F CA 0.166 58.253 58.000 0.145 0.000 0.971 303 F CB -2.338 36.734 39.000 0.120 0.000 0.943 303 F HN 0.488 nan 8.300 nan 0.000 0.766 304 Y N 2.218 122.585 120.300 0.112 0.000 2.496 304 Y HA 0.276 4.738 4.550 -0.146 0.000 0.334 304 Y C 0.798 176.759 175.900 0.103 0.000 1.080 304 Y CA -1.230 56.920 58.100 0.082 0.000 1.355 304 Y CB 0.302 38.769 38.460 0.010 0.000 1.193 304 Y HN 0.230 nan 8.280 nan 0.000 0.523 305 N N 5.927 124.464 118.700 -0.272 0.000 2.498 305 N HA -0.036 4.616 4.740 -0.147 0.000 0.277 305 N C 0.531 175.635 175.510 -0.677 0.000 1.208 305 N CA 0.282 53.157 53.050 -0.291 0.000 1.029 305 N CB 0.276 38.688 38.487 -0.125 0.000 1.403 305 N HN 0.701 nan 8.380 nan 0.000 0.500 306 V N 3.016 122.623 119.914 -0.511 0.000 2.548 306 V HA -0.103 3.929 4.120 -0.147 0.000 0.249 306 V C 0.644 176.681 176.094 -0.095 0.000 1.055 306 V CA 1.198 63.272 62.300 -0.376 0.000 1.065 306 V CB -0.855 30.980 31.823 0.019 0.000 0.681 306 V HN 0.779 nan 8.190 nan 0.000 0.462 307 H N 1.182 120.212 119.070 -0.066 0.000 2.970 307 H HA 0.401 4.869 4.556 -0.147 0.000 0.226 307 H C 0.441 175.814 175.328 0.075 0.000 1.909 307 H CA 0.112 56.191 56.048 0.051 0.000 1.388 307 H CB -0.669 29.171 29.762 0.130 0.000 1.773 307 H HN 0.590 nan 8.280 nan 0.000 0.559 308 S N 0.381 115.921 115.700 -0.266 0.000 2.704 308 S HA 0.145 4.527 4.470 -0.147 0.000 0.305 308 S C 1.336 175.343 174.600 -0.989 0.000 1.107 308 S CA -0.714 57.241 58.200 -0.408 0.000 0.993 308 S CB 1.758 64.791 63.200 -0.278 0.000 1.110 308 S HN 0.661 nan 8.310 nan 0.000 0.534 309 E N 0.910 120.426 120.200 -1.140 0.000 2.171 309 E HA -0.284 3.978 4.350 -0.147 0.000 0.197 309 E C 1.673 177.800 176.600 -0.788 0.000 0.997 309 E CA 1.885 57.412 56.400 -1.456 0.000 0.810 309 E CB -0.284 29.066 29.700 -0.584 0.000 0.738 309 E HN 0.872 nan 8.360 nan 0.000 0.467 310 E N -0.413 119.512 120.200 -0.459 0.000 2.204 310 E HA -0.159 4.103 4.350 -0.147 0.000 0.194 310 E C 1.217 177.681 176.600 -0.227 0.000 0.989 310 E CA 0.982 57.227 56.400 -0.258 0.000 0.824 310 E CB -0.069 29.538 29.700 -0.156 0.000 0.756 310 E HN 0.193 nan 8.360 nan 0.000 0.477 311 N N -0.327 118.206 118.700 -0.278 0.000 2.205 311 N HA 0.078 4.730 4.740 -0.147 0.000 0.201 311 N C 0.820 176.294 175.510 -0.062 0.000 1.128 311 N CA 0.013 52.967 53.050 -0.161 0.000 0.867 311 N CB 0.008 38.422 38.487 -0.122 0.000 0.996 311 N HN 0.357 nan 8.380 nan 0.000 0.503 312 Y N 1.543 121.761 120.300 -0.137 0.000 2.040 312 Y HA -0.239 4.223 4.550 -0.146 0.000 0.275 312 Y C 2.555 178.436 175.900 -0.033 0.000 1.171 312 Y CA 0.906 58.946 58.100 -0.101 0.000 1.123 312 Y CB 0.109 38.519 38.460 -0.084 0.000 0.963 312 Y HN 0.104 nan 8.280 nan 0.000 0.493 313 E N 1.217 121.503 120.200 0.144 0.000 2.072 313 E HA -0.188 4.074 4.350 -0.147 0.000 0.191 313 E C 1.832 178.467 176.600 0.059 0.000 0.985 313 E CA 1.257 57.710 56.400 0.088 0.000 0.801 313 E CB -0.070 29.658 29.700 0.046 0.000 0.750 313 E HN 0.477 nan 8.360 nan 0.000 0.452 314 K N 0.191 120.584 120.400 -0.012 0.000 2.057 314 K HA -0.099 4.133 4.320 -0.147 0.000 0.207 314 K C 2.380 178.937 176.600 -0.072 0.000 1.049 314 K CA 1.378 57.630 56.287 -0.058 0.000 0.931 314 K CB -0.152 32.256 32.500 -0.152 0.000 0.714 314 K HN 0.189 nan 8.250 nan 0.000 0.440 315 I N 0.943 121.443 120.570 -0.117 0.000 2.252 315 I HA -0.263 3.819 4.170 -0.147 0.000 0.245 315 I C 2.388 178.464 176.117 -0.069 0.000 1.102 315 I CA 1.184 62.345 61.300 -0.231 0.000 1.385 315 I CB -0.216 37.687 38.000 -0.162 0.000 1.064 315 I HN 0.140 nan 8.210 nan 0.000 0.414 316 R N 0.111 120.660 120.500 0.082 0.000 2.105 316 R HA -0.211 4.041 4.340 -0.147 0.000 0.239 316 R C 2.347 178.740 176.300 0.156 0.000 1.135 316 R CA 1.720 57.917 56.100 0.161 0.000 0.967 316 R CB -0.602 29.797 30.300 0.165 0.000 0.861 316 R HN 0.319 nan 8.270 nan 0.000 0.442 317 F N 1.688 121.648 119.950 0.016 0.000 2.113 317 F HA -0.129 4.310 4.527 -0.147 0.000 0.297 317 F C 1.919 177.778 175.800 0.098 0.000 1.103 317 F CA 1.328 59.357 58.000 0.049 0.000 1.248 317 F CB -0.314 38.679 39.000 -0.011 0.000 0.999 317 F HN -0.138 nan 8.300 nan 0.000 0.475 318 L N 0.206 121.334 121.223 -0.158 0.000 2.046 318 L HA -0.220 4.032 4.340 -0.147 0.000 0.208 318 L C 2.218 179.151 176.870 0.105 0.000 1.077 318 L CA 1.854 56.570 54.840 -0.205 0.000 0.747 318 L CB -0.918 40.722 42.059 -0.699 0.000 0.896 318 L HN 0.209 nan 8.230 nan 0.000 0.432 319 D N -0.005 120.463 120.400 0.114 0.000 2.117 319 D HA -0.168 4.384 4.640 -0.147 0.000 0.197 319 D C 2.164 178.593 176.300 0.215 0.000 0.987 319 D CA 1.361 55.534 54.000 0.288 0.000 0.829 319 D CB 0.129 41.141 40.800 0.353 0.000 0.961 319 D HN 0.237 nan 8.370 nan 0.000 0.460 320 A N -0.706 122.188 122.820 0.124 0.000 1.902 320 A HA -0.194 4.038 4.320 -0.147 0.000 0.217 320 A C 2.259 179.900 177.584 0.095 0.000 1.181 320 A CA 1.453 53.547 52.037 0.095 0.000 0.623 320 A CB -1.401 17.636 19.000 0.061 0.000 0.818 320 A HN 0.485 nan 8.150 nan 0.000 0.443 321 Y N 0.626 120.838 120.300 -0.147 0.000 2.207 321 Y HA -0.235 4.228 4.550 -0.146 0.000 0.287 321 Y C 2.395 178.298 175.900 0.005 0.000 1.156 321 Y CA 2.317 60.325 58.100 -0.153 0.000 1.182 321 Y CB -0.045 38.213 38.460 -0.338 0.000 0.979 321 Y HN 0.503 nan 8.280 nan 0.000 0.521 322 E N -0.735 119.638 120.200 0.289 0.000 2.112 322 E HA -0.154 4.108 4.350 -0.147 0.000 0.190 322 E C 1.928 178.628 176.600 0.166 0.000 0.979 322 E CA 0.801 57.348 56.400 0.245 0.000 0.814 322 E CB -0.244 29.670 29.700 0.356 0.000 0.762 322 E HN 0.554 nan 8.360 nan 0.000 0.460 323 N N 0.269 119.075 118.700 0.177 0.000 2.069 323 N HA -0.229 4.423 4.740 -0.147 0.000 0.191 323 N C 1.879 177.433 175.510 0.073 0.000 1.031 323 N CA 1.211 54.335 53.050 0.124 0.000 0.852 323 N CB -0.187 38.372 38.487 0.119 0.000 1.018 323 N HN 0.137 nan 8.380 nan 0.000 0.423 324 Y N 1.056 121.349 120.300 -0.013 0.000 2.069 324 Y HA -0.316 4.146 4.550 -0.147 0.000 0.278 324 Y C 2.215 178.058 175.900 -0.095 0.000 1.175 324 Y CA 1.730 59.786 58.100 -0.073 0.000 1.134 324 Y CB -0.810 37.580 38.460 -0.117 0.000 0.965 324 Y HN 0.044 nan 8.280 nan 0.000 0.498 325 F N -0.159 119.641 119.950 -0.249 0.000 2.102 325 F HA -0.219 4.221 4.527 -0.146 0.000 0.298 325 F C 2.295 177.970 175.800 -0.208 0.000 1.105 325 F CA 1.944 59.771 58.000 -0.289 0.000 1.239 325 F CB -0.813 38.117 39.000 -0.117 0.000 0.991 325 F HN -0.047 nan 8.300 nan 0.000 0.474 326 V N 0.279 120.178 119.914 -0.024 0.000 2.287 326 V HA -0.358 3.674 4.120 -0.147 0.000 0.248 326 V C 2.262 178.255 176.094 -0.167 0.000 1.053 326 V CA 2.348 64.633 62.300 -0.025 0.000 1.027 326 V CB -0.851 31.027 31.823 0.091 0.000 0.646 326 V HN 0.411 nan 8.190 nan 0.000 0.447 327 Q N -0.371 119.306 119.800 -0.205 0.000 2.167 327 Q HA -0.124 4.128 4.340 -0.147 0.000 0.202 327 Q C 2.413 178.187 176.000 -0.378 0.000 0.970 327 Q CA 1.553 57.216 55.803 -0.234 0.000 0.855 327 Q CB -0.383 28.241 28.738 -0.189 0.000 0.911 327 Q HN 0.686 nan 8.270 nan 0.000 0.438 328 A N 0.711 123.177 122.820 -0.590 0.000 1.902 328 A HA -0.167 4.065 4.320 -0.147 0.000 0.217 328 A C 1.985 179.101 177.584 -0.780 0.000 1.181 328 A CA 1.047 52.629 52.037 -0.758 0.000 0.623 328 A CB -0.446 17.976 19.000 -0.964 0.000 0.818 328 A HN 0.235 nan 8.150 nan 0.000 0.443 329 L N -0.727 120.046 121.223 -0.751 0.000 2.083 329 L HA -0.163 4.089 4.340 -0.147 0.000 0.209 329 L C 2.593 179.158 176.870 -0.508 0.000 1.083 329 L CA 2.215 56.591 54.840 -0.773 0.000 0.752 329 L CB -0.813 40.889 42.059 -0.596 0.000 0.899 329 L HN 0.493 nan 8.230 nan 0.000 0.433 330 Q N 0.341 119.970 119.800 -0.286 0.000 2.079 330 Q HA -0.182 4.070 4.340 -0.147 0.000 0.200 330 Q C 1.936 177.857 176.000 -0.132 0.000 0.974 330 Q CA 1.704 57.434 55.803 -0.121 0.000 0.840 330 Q CB -0.052 28.639 28.738 -0.079 0.000 0.898 330 Q HN 0.618 nan 8.270 nan 0.000 0.430 331 K N -2.133 118.144 120.400 -0.205 0.000 2.444 331 K HA 0.263 4.495 4.320 -0.147 0.000 0.193 331 K C 0.823 177.321 176.600 -0.170 0.000 1.024 331 K CA 0.633 56.821 56.287 -0.164 0.000 1.077 331 K CB 0.157 32.556 32.500 -0.168 0.000 0.833 331 K HN 0.199 nan 8.250 nan 0.000 0.517 332 G N 0.799 109.443 108.800 -0.259 0.000 2.143 332 G HA2 -0.251 3.621 3.960 -0.147 0.000 0.248 332 G HA3 -0.251 3.621 3.960 -0.147 0.000 0.248 332 G C -0.261 174.498 174.900 -0.235 0.000 0.991 332 G CA 0.304 45.271 45.100 -0.222 0.000 0.689 332 G HN 0.407 nan 8.290 nan 0.000 0.522 333 V N -0.470 119.182 119.914 -0.435 0.000 2.891 333 V HA 0.740 4.772 4.120 -0.147 0.000 0.304 333 V C -1.222 174.492 176.094 -0.633 0.000 1.171 333 V CA -1.414 60.601 62.300 -0.475 0.000 0.943 333 V CB 1.409 33.036 31.823 -0.328 0.000 1.037 333 V HN 0.369 nan 8.190 nan 0.000 0.427 334 F N 4.722 124.431 119.950 -0.401 0.000 2.390 334 F HA 0.554 4.993 4.527 -0.147 0.000 0.361 334 F C 0.783 176.372 175.800 -0.352 0.000 1.124 334 F CA -0.246 57.473 58.000 -0.469 0.000 1.149 334 F CB 0.894 39.415 39.000 -0.798 0.000 1.160 334 F HN 0.498 nan 8.300 nan 0.000 0.501 335 E N 1.384 121.589 120.200 0.008 0.000 2.250 335 E HA 0.657 4.919 4.350 -0.147 0.000 0.269 335 E C 0.395 177.077 176.600 0.137 0.000 1.018 335 E CA -0.455 55.957 56.400 0.020 0.000 0.873 335 E CB 1.692 31.381 29.700 -0.018 0.000 1.134 335 E HN 0.776 nan 8.360 nan 0.000 0.403 336 G N 0.501 109.313 108.800 0.020 0.000 2.728 336 G HA2 -0.262 3.610 3.960 -0.147 0.000 0.294 336 G HA3 -0.262 3.610 3.960 -0.147 0.000 0.294 336 G C -0.161 174.781 174.900 0.070 0.000 1.342 336 G CA -0.381 44.673 45.100 -0.076 0.000 0.866 336 G HN 0.649 nan 8.290 nan 0.000 0.534 337 F N -0.970 119.003 119.950 0.039 0.000 3.080 337 F HA -0.071 4.368 4.527 -0.147 0.000 0.292 337 F C 2.044 177.875 175.800 0.051 0.000 0.891 337 F CA 1.991 60.036 58.000 0.075 0.000 1.086 337 F CB -1.454 37.615 39.000 0.115 0.000 1.095 337 F HN 2.532 nan 8.300 nan 0.000 0.633 338 G N 0.802 109.674 108.800 0.120 0.000 2.323 338 G HA2 -0.035 3.837 3.960 -0.147 0.000 0.292 338 G HA3 -0.035 3.837 3.960 -0.147 0.000 0.292 338 G C -0.063 174.870 174.900 0.055 0.000 1.040 338 G CA 0.843 45.992 45.100 0.082 0.000 0.942 338 G HN 1.281 nan 8.290 nan 0.000 0.506 339 Q N -2.737 117.077 119.800 0.022 0.000 2.959 339 Q HA 0.595 4.847 4.340 -0.147 0.000 0.288 339 Q C -1.244 174.703 176.000 -0.088 0.000 0.911 339 Q CA -0.899 54.886 55.803 -0.031 0.000 0.800 339 Q CB 0.316 29.036 28.738 -0.029 0.000 1.645 339 Q HN 0.359 nan 8.270 nan 0.000 0.454 340 T N 1.792 116.264 114.554 -0.137 0.000 2.937 340 T HA 0.691 4.953 4.350 -0.147 0.000 0.297 340 T C -0.623 173.914 174.700 -0.272 0.000 0.991 340 T CA -0.564 61.411 62.100 -0.209 0.000 0.990 340 T CB 0.510 69.249 68.868 -0.216 0.000 0.991 340 T HN 0.517 nan 8.240 nan 0.000 0.440 341 I N -0.017 120.373 120.570 -0.299 0.000 2.647 341 I HA 0.643 4.725 4.170 -0.147 0.000 0.295 341 I C -1.057 174.893 176.117 -0.280 0.000 1.078 341 I CA -1.461 59.687 61.300 -0.253 0.000 1.048 341 I CB 1.541 39.469 38.000 -0.121 0.000 1.239 341 I HN 0.374 nan 8.210 nan 0.000 0.421 342 Y N 3.034 123.291 120.300 -0.073 0.000 2.298 342 Y HA 0.354 4.815 4.550 -0.147 0.000 0.329 342 Y C 1.383 177.258 175.900 -0.042 0.000 1.293 342 Y CA -0.599 57.438 58.100 -0.105 0.000 1.388 342 Y CB 0.808 39.232 38.460 -0.060 0.000 1.309 342 Y HN 0.507 nan 8.280 nan 0.000 0.544 343 L N 0.638 121.926 121.223 0.108 0.000 2.131 343 L HA -0.242 4.010 4.340 -0.147 0.000 0.210 343 L C 1.467 178.532 176.870 0.324 0.000 1.092 343 L CA 1.637 56.617 54.840 0.233 0.000 0.759 343 L CB -0.525 41.607 42.059 0.122 0.000 0.903 343 L HN 0.692 nan 8.230 nan 0.000 0.435 344 N N -1.496 117.325 118.700 0.202 0.000 2.461 344 N HA -0.092 4.560 4.740 -0.147 0.000 0.188 344 N C 0.524 176.137 175.510 0.171 0.000 1.134 344 N CA 0.078 53.220 53.050 0.153 0.000 0.878 344 N CB -0.584 37.946 38.487 0.071 0.000 0.972 344 N HN 0.232 nan 8.380 nan 0.000 0.456 345 D N 0.759 121.282 120.400 0.206 0.000 2.478 345 D HA -0.076 4.476 4.640 -0.147 0.000 0.234 345 D C 0.919 177.321 176.300 0.170 0.000 1.154 345 D CA 0.417 54.518 54.000 0.169 0.000 0.874 345 D CB 0.942 41.829 40.800 0.144 0.000 1.198 345 D HN 0.347 nan 8.370 nan 0.000 0.455 346 S N 2.931 118.709 115.700 0.130 0.000 2.474 346 S HA -0.134 4.248 4.470 -0.147 0.000 0.235 346 S C 1.377 176.062 174.600 0.142 0.000 0.997 346 S CA 0.771 59.048 58.200 0.128 0.000 0.949 346 S CB 0.083 63.339 63.200 0.093 0.000 0.766 346 S HN 0.468 nan 8.310 nan 0.000 0.517 347 K N 0.900 121.378 120.400 0.131 0.000 2.379 347 K HA 0.443 4.675 4.320 -0.147 0.000 0.194 347 K C 2.190 178.888 176.600 0.164 0.000 1.031 347 K CA 0.491 56.852 56.287 0.124 0.000 1.037 347 K CB -0.192 32.355 32.500 0.079 0.000 0.824 347 K HN 0.407 nan 8.250 nan 0.000 0.516 348 A N 1.854 124.805 122.820 0.219 0.000 1.859 348 A HA -0.312 3.920 4.320 -0.147 0.000 0.217 348 A C 1.971 179.713 177.584 0.263 0.000 1.198 348 A CA 2.258 54.468 52.037 0.290 0.000 0.629 348 A CB -0.848 18.448 19.000 0.494 0.000 0.830 348 A HN 0.350 nan 8.150 nan 0.000 0.446 349 N N -0.314 118.645 118.700 0.432 0.000 2.094 349 N HA -0.139 4.513 4.740 -0.147 0.000 0.191 349 N C 1.854 177.563 175.510 0.332 0.000 1.023 349 N CA 1.905 55.265 53.050 0.515 0.000 0.857 349 N CB -0.214 38.591 38.487 0.530 0.000 1.013 349 N HN 0.374 nan 8.380 nan 0.000 0.426 350 S N -1.005 114.837 115.700 0.235 0.000 2.428 350 S HA -0.029 4.353 4.470 -0.147 0.000 0.230 350 S C 1.444 176.052 174.600 0.013 0.000 1.014 350 S CA 0.383 58.675 58.200 0.153 0.000 0.957 350 S CB -0.346 62.928 63.200 0.122 0.000 0.784 350 S HN 0.446 nan 8.310 nan 0.000 0.499 351 F N 2.169 122.014 119.950 -0.176 0.000 2.084 351 F HA -0.094 4.345 4.527 -0.146 0.000 0.296 351 F C 2.326 177.822 175.800 -0.507 0.000 1.111 351 F CA 1.476 59.252 58.000 -0.373 0.000 1.224 351 F CB -0.817 37.898 39.000 -0.475 0.000 0.991 351 F HN 0.062 nan 8.300 nan 0.000 0.471 352 V N 0.765 120.285 119.914 -0.656 0.000 2.332 352 V HA -0.149 3.883 4.120 -0.147 0.000 0.248 352 V C 2.286 178.039 176.094 -0.569 0.000 1.055 352 V CA 2.488 64.320 62.300 -0.780 0.000 1.038 352 V CB -1.520 29.763 31.823 -0.900 0.000 0.651 352 V HN 0.455 nan 8.190 nan 0.000 0.450 353 G N 0.156 108.765 108.800 -0.318 0.000 2.421 353 G HA2 -0.271 3.601 3.960 -0.147 0.000 0.216 353 G HA3 -0.271 3.601 3.960 -0.147 0.000 0.216 353 G C 1.401 176.054 174.900 -0.411 0.000 1.171 353 G CA 0.951 46.002 45.100 -0.081 0.000 0.775 353 G HN 0.586 nan 8.290 nan 0.000 0.543 354 N N -0.424 118.060 118.700 -0.360 0.000 2.244 354 N HA -0.091 4.561 4.740 -0.147 0.000 0.183 354 N C 1.730 176.916 175.510 -0.540 0.000 1.016 354 N CA 0.906 53.727 53.050 -0.382 0.000 0.866 354 N CB -0.440 37.847 38.487 -0.333 0.000 0.980 354 N HN 0.509 nan 8.380 nan 0.000 0.430 355 Y N -0.202 119.522 120.300 -0.960 0.000 2.133 355 Y HA -0.135 4.327 4.550 -0.146 0.000 0.287 355 Y C 1.868 177.386 175.900 -0.636 0.000 1.134 355 Y CA 1.409 58.848 58.100 -1.102 0.000 1.133 355 Y CB -0.698 36.784 38.460 -1.630 0.000 0.987 355 Y HN 0.006 nan 8.280 nan 0.000 0.502 356 W N 0.806 121.789 121.300 -0.527 0.000 2.392 356 W HA -0.168 4.404 4.660 -0.147 0.000 0.279 356 W C 2.550 178.907 176.519 -0.271 0.000 1.225 356 W CA 1.470 58.567 57.345 -0.414 0.000 1.233 356 W CB -0.137 29.153 29.460 -0.283 0.000 1.122 356 W HN 0.185 nan 8.180 nan 0.000 0.561 357 Q N 0.368 120.086 119.800 -0.136 0.000 2.384 357 Q HA -0.053 4.199 4.340 -0.147 0.000 0.207 357 Q C 0.188 176.216 176.000 0.046 0.000 0.904 357 Q CA 0.757 56.590 55.803 0.049 0.000 0.933 357 Q CB 0.056 28.818 28.738 0.040 0.000 1.077 357 Q HN 0.049 nan 8.270 nan 0.000 0.522 358 D N 1.419 121.769 120.400 -0.083 0.000 2.708 358 D HA -0.187 4.365 4.640 -0.147 0.000 0.236 358 D C -0.882 175.522 176.300 0.173 0.000 1.146 358 D CA 0.974 54.985 54.000 0.018 0.000 0.662 358 D CB -1.159 39.724 40.800 0.137 0.000 1.059 358 D HN 0.652 nan 8.370 nan 0.000 0.428 359 N N -1.016 117.742 118.700 0.096 0.000 2.379 359 N HA 0.557 5.209 4.740 -0.147 0.000 0.260 359 N C 1.477 177.116 175.510 0.215 0.000 1.254 359 N CA -0.035 53.145 53.050 0.217 0.000 0.958 359 N CB 0.280 38.859 38.487 0.154 0.000 1.208 359 N HN 0.011 nan 8.380 nan 0.000 0.532 360 A N -0.423 122.540 122.820 0.239 0.000 1.933 360 A HA -0.180 4.052 4.320 -0.147 0.000 0.218 360 A C 1.388 179.068 177.584 0.160 0.000 1.175 360 A CA 1.631 53.821 52.037 0.254 0.000 0.628 360 A CB -0.832 18.289 19.000 0.203 0.000 0.814 360 A HN 0.751 nan 8.150 nan 0.000 0.444 361 D N -0.595 119.834 120.400 0.047 0.000 2.264 361 D HA -0.097 4.455 4.640 -0.147 0.000 0.208 361 D C 1.686 177.955 176.300 -0.052 0.000 0.966 361 D CA 0.839 54.837 54.000 -0.002 0.000 0.864 361 D CB -0.221 40.558 40.800 -0.035 0.000 0.933 361 D HN 0.414 nan 8.370 nan 0.000 0.499 362 L N -0.404 120.718 121.223 -0.167 0.000 2.201 362 L HA -0.155 4.097 4.340 -0.147 0.000 0.212 362 L C 1.073 177.704 176.870 -0.398 0.000 1.105 362 L CA 1.573 56.160 54.840 -0.422 0.000 0.775 362 L CB -0.276 41.330 42.059 -0.756 0.000 0.913 362 L HN -0.016 nan 8.230 nan 0.000 0.440 363 Y N -0.477 119.878 120.300 0.091 0.000 2.467 363 Y HA 0.487 4.949 4.550 -0.147 0.000 0.250 363 Y C 1.667 177.637 175.900 0.117 0.000 1.155 363 Y CA -0.259 57.929 58.100 0.148 0.000 1.249 363 Y CB -0.119 38.434 38.460 0.155 0.000 1.146 363 Y HN 0.107 nan 8.280 nan 0.000 0.524 364 G N 1.697 110.608 108.800 0.185 0.000 2.295 364 G HA2 -0.272 3.600 3.960 -0.147 0.000 0.287 364 G HA3 -0.272 3.600 3.960 -0.147 0.000 0.287 364 G C 0.016 175.004 174.900 0.147 0.000 1.055 364 G CA 0.662 45.842 45.100 0.134 0.000 0.922 364 G HN 0.517 nan 8.290 nan 0.000 0.503 365 E N -1.802 118.499 120.200 0.169 0.000 2.393 365 E HA 0.648 4.910 4.350 -0.147 0.000 0.265 365 E C 0.886 177.572 176.600 0.143 0.000 0.941 365 E CA -0.352 56.145 56.400 0.163 0.000 0.801 365 E CB 0.609 30.423 29.700 0.191 0.000 1.313 365 E HN 0.269 nan 8.360 nan 0.000 0.435 366 E N 0.080 120.386 120.200 0.176 0.000 2.216 366 E HA 0.067 4.329 4.350 -0.147 0.000 0.192 366 E C 0.676 177.482 176.600 0.344 0.000 0.973 366 E CA 0.533 57.047 56.400 0.191 0.000 0.851 366 E CB 0.465 30.323 29.700 0.263 0.000 0.804 366 E HN 0.337 nan 8.360 nan 0.000 0.477 367 V N -0.376 119.762 119.914 0.373 0.000 2.925 367 V HA 0.548 4.580 4.120 -0.147 0.000 0.311 367 V C -0.016 176.242 176.094 0.273 0.000 1.104 367 V CA -0.570 61.987 62.300 0.429 0.000 0.954 367 V CB 1.318 33.416 31.823 0.459 0.000 1.022 367 V HN 0.252 nan 8.190 nan 0.000 0.427 368 T N 1.460 116.181 114.554 0.278 0.000 2.860 368 T HA 0.519 4.781 4.350 -0.147 0.000 0.299 368 T C -0.126 174.573 174.700 -0.000 0.000 1.045 368 T CA -0.564 61.629 62.100 0.155 0.000 1.071 368 T CB 0.793 69.823 68.868 0.270 0.000 0.985 368 T HN 0.823 nan 8.240 nan 0.000 0.537 369 K N 1.463 121.729 120.400 -0.222 0.000 2.185 369 K HA 0.352 4.584 4.320 -0.147 0.000 0.240 369 K C 0.750 177.119 176.600 -0.385 0.000 0.983 369 K CA -1.041 55.023 56.287 -0.372 0.000 0.873 369 K CB 1.061 33.092 32.500 -0.780 0.000 1.118 369 K HN 0.535 nan 8.250 nan 0.000 0.441 370 D N 0.636 120.876 120.400 -0.267 0.000 2.123 370 D HA -0.182 4.370 4.640 -0.147 0.000 0.196 370 D C 1.694 177.911 176.300 -0.137 0.000 0.992 370 D CA 1.744 55.658 54.000 -0.144 0.000 0.833 370 D CB -0.264 40.505 40.800 -0.051 0.000 0.954 370 D HN 0.665 nan 8.370 nan 0.000 0.455 371 Y N 0.331 120.602 120.300 -0.047 0.000 2.616 371 Y HA 0.129 4.591 4.550 -0.147 0.000 0.296 371 Y C 0.555 176.428 175.900 -0.045 0.000 1.154 371 Y CA -0.011 58.056 58.100 -0.055 0.000 1.325 371 Y CB -0.890 37.538 38.460 -0.053 0.000 1.007 371 Y HN -0.150 nan 8.280 nan 0.000 0.542 372 Q N 2.527 122.159 119.800 -0.280 0.000 2.678 372 Q HA 0.135 4.387 4.340 -0.147 0.000 0.222 372 Q C -0.343 175.695 176.000 0.063 0.000 1.281 372 Q CA -0.291 55.448 55.803 -0.106 0.000 0.994 372 Q CB 0.303 28.799 28.738 -0.403 0.000 1.452 372 Q HN 0.328 nan 8.270 nan 0.000 0.570 373 R N 1.323 121.879 120.500 0.095 0.000 2.537 373 R HA 0.006 4.258 4.340 -0.147 0.000 0.281 373 R C -0.297 176.123 176.300 0.199 0.000 0.988 373 R CA 0.357 56.466 56.100 0.015 0.000 1.077 373 R CB 0.513 30.660 30.300 -0.255 0.000 0.932 373 R HN 0.334 nan 8.270 nan 0.000 0.409 374 S N 3.499 119.234 115.700 0.059 0.000 2.462 374 S HA 0.092 4.473 4.470 -0.147 0.000 0.294 374 S C 0.615 175.213 174.600 -0.003 0.000 1.144 374 S CA -0.836 57.397 58.200 0.055 0.000 1.088 374 S CB 0.888 64.077 63.200 -0.018 0.000 1.009 374 S HN 0.687 nan 8.310 nan 0.000 0.484 375 Y N 4.303 124.362 120.300 -0.401 0.000 2.145 375 Y HA -0.112 4.350 4.550 -0.146 0.000 0.286 375 Y C 1.980 177.731 175.900 -0.248 0.000 1.145 375 Y CA 2.399 60.178 58.100 -0.535 0.000 1.148 375 Y CB -0.223 37.555 38.460 -1.137 0.000 0.981 375 Y HN 0.872 nan 8.280 nan 0.000 0.507 376 E N 0.191 120.340 120.200 -0.084 0.000 2.058 376 E HA -0.230 4.032 4.350 -0.147 0.000 0.194 376 E C 2.261 178.673 176.600 -0.314 0.000 0.997 376 E CA 1.790 58.094 56.400 -0.160 0.000 0.801 376 E CB -0.287 29.434 29.700 0.035 0.000 0.746 376 E HN 0.548 nan 8.360 nan 0.000 0.450 377 I N 0.786 121.187 120.570 -0.283 0.000 2.226 377 I HA -0.246 3.836 4.170 -0.147 0.000 0.245 377 I C 2.373 178.263 176.117 -0.378 0.000 1.100 377 I CA 0.898 61.989 61.300 -0.348 0.000 1.374 377 I CB -0.252 37.628 38.000 -0.200 0.000 1.057 377 I HN 0.008 nan 8.210 nan 0.000 0.413 378 V N 0.990 120.705 119.914 -0.331 0.000 2.453 378 V HA -0.210 3.821 4.120 -0.147 0.000 0.247 378 V C 2.707 178.563 176.094 -0.397 0.000 1.048 378 V CA 1.745 63.841 62.300 -0.340 0.000 1.049 378 V CB -0.867 30.796 31.823 -0.268 0.000 0.672 378 V HN 0.461 nan 8.190 nan 0.000 0.457 379 A N 0.375 122.907 122.820 -0.480 0.000 1.902 379 A HA -0.225 4.007 4.320 -0.147 0.000 0.217 379 A C 2.366 179.798 177.584 -0.252 0.000 1.181 379 A CA 1.800 53.594 52.037 -0.404 0.000 0.623 379 A CB -0.474 18.272 19.000 -0.424 0.000 0.818 379 A HN 0.518 nan 8.150 nan 0.000 0.443 380 R N -0.807 119.486 120.500 -0.344 0.000 2.096 380 R HA -0.168 4.084 4.340 -0.147 0.000 0.235 380 R C 2.513 178.629 176.300 -0.306 0.000 1.127 380 R CA 1.527 57.412 56.100 -0.358 0.000 0.968 380 R CB -0.339 29.599 30.300 -0.604 0.000 0.861 380 R HN 0.765 nan 8.270 nan 0.000 0.440 381 Q N 0.677 120.284 119.800 -0.321 0.000 2.020 381 Q HA -0.148 4.104 4.340 -0.147 0.000 0.202 381 Q C 2.271 178.175 176.000 -0.160 0.000 0.982 381 Q CA 2.042 57.692 55.803 -0.255 0.000 0.838 381 Q CB -0.008 28.564 28.738 -0.277 0.000 0.899 381 Q HN 0.332 nan 8.270 nan 0.000 0.423 382 V N -0.544 119.280 119.914 -0.149 0.000 2.427 382 V HA -0.179 3.853 4.120 -0.147 0.000 0.248 382 V C 1.999 178.128 176.094 0.058 0.000 1.051 382 V CA 1.439 63.716 62.300 -0.038 0.000 1.048 382 V CB -0.451 31.326 31.823 -0.077 0.000 0.666 382 V HN 0.387 nan 8.190 nan 0.000 0.456 383 L N 1.016 122.245 121.223 0.010 0.000 2.141 383 L HA 0.063 4.315 4.340 -0.147 0.000 0.209 383 L C 2.782 179.584 176.870 -0.113 0.000 1.094 383 L CA 1.446 56.268 54.840 -0.031 0.000 0.763 383 L CB -1.137 40.859 42.059 -0.105 0.000 0.908 383 L HN 0.520 nan 8.230 nan 0.000 0.437 384 G N -0.942 107.782 108.800 -0.128 0.000 2.470 384 G HA2 -0.077 3.795 3.960 -0.147 0.000 0.220 384 G HA3 -0.077 3.795 3.960 -0.147 0.000 0.220 384 G C 1.221 176.012 174.900 -0.181 0.000 1.121 384 G CA 0.664 45.682 45.100 -0.137 0.000 0.766 384 G HN 0.519 nan 8.290 nan 0.000 0.553 385 A N -2.153 120.561 122.820 -0.178 0.000 2.979 385 A HA 0.047 4.279 4.320 -0.147 0.000 0.260 385 A C 1.173 178.680 177.584 -0.127 0.000 1.282 385 A CA 1.347 53.228 52.037 -0.260 0.000 0.971 385 A CB -1.912 16.604 19.000 -0.807 0.000 1.124 385 A HN 1.898 nan 8.150 nan 0.000 0.826 386 A N 0.424 123.201 122.820 -0.072 0.000 2.371 386 A HA 0.609 4.841 4.320 -0.147 0.000 0.257 386 A C -1.002 176.589 177.584 0.010 0.000 1.089 386 A CA -0.531 51.492 52.037 -0.023 0.000 0.794 386 A CB -0.030 18.975 19.000 0.008 0.000 1.029 386 A HN 0.561 nan 8.150 nan 0.000 0.488 387 P HA 0.200 nan 4.420 nan 0.000 0.274 387 P C -0.689 176.637 177.300 0.044 0.000 1.237 387 P CA -0.521 62.600 63.100 0.035 0.000 0.793 387 P CB 0.474 32.200 31.700 0.042 0.000 0.977 388 K N 1.401 121.818 120.400 0.028 0.000 2.485 388 K HA 0.172 4.404 4.320 -0.147 0.000 0.277 388 K C -2.146 174.499 176.600 0.076 0.000 0.990 388 K CA -1.181 55.123 56.287 0.029 0.000 0.994 388 K CB -1.260 31.235 32.500 -0.008 0.000 0.906 388 K HN 0.259 nan 8.250 nan 0.000 0.488 389 P HA -0.137 nan 4.420 nan 0.000 0.263 389 P C -0.222 177.169 177.300 0.151 0.000 1.175 389 P CA -0.002 63.197 63.100 0.165 0.000 0.761 389 P CB 0.241 32.030 31.700 0.147 0.000 0.794 390 F N 2.684 122.656 119.950 0.037 0.000 2.134 390 F HA -0.160 4.280 4.527 -0.145 0.000 0.299 390 F C 0.786 176.585 175.800 -0.000 0.000 1.097 390 F CA 1.761 59.767 58.000 0.011 0.000 1.264 390 F CB 0.243 39.245 39.000 0.003 0.000 1.001 390 F HN 0.425 nan 8.300 nan 0.000 0.479 391 D N -2.124 118.334 120.400 0.097 0.000 2.713 391 D HA 0.087 4.639 4.640 -0.147 0.000 0.306 391 D C 0.234 176.547 176.300 0.022 0.000 1.299 391 D CA -0.324 53.654 54.000 -0.038 0.000 0.823 391 D CB 0.403 41.163 40.800 -0.067 0.000 1.353 391 D HN 0.073 nan 8.370 nan 0.000 0.447 392 K N -0.555 119.790 120.400 -0.091 0.000 2.286 392 K HA -0.193 4.039 4.320 -0.147 0.000 0.203 392 K C 0.833 177.459 176.600 0.044 0.000 1.045 392 K CA 1.373 57.592 56.287 -0.114 0.000 0.935 392 K CB -0.444 31.874 32.500 -0.303 0.000 0.737 392 K HN 0.559 nan 8.250 nan 0.000 0.460 393 Y N 0.752 121.102 120.300 0.083 0.000 2.442 393 Y HA 0.143 4.605 4.550 -0.147 0.000 0.250 393 Y C 0.227 176.209 175.900 0.136 0.000 1.113 393 Y CA -0.694 57.471 58.100 0.109 0.000 1.273 393 Y CB 1.219 39.730 38.460 0.085 0.000 1.138 393 Y HN -0.069 nan 8.280 nan 0.000 0.522 394 T N 2.739 117.474 114.554 0.302 0.000 2.815 394 T HA 0.409 4.671 4.350 -0.147 0.000 0.289 394 T C -0.917 173.920 174.700 0.229 0.000 1.000 394 T CA -0.418 61.790 62.100 0.181 0.000 0.958 394 T CB 0.473 69.428 68.868 0.146 0.000 0.944 394 T HN 0.125 nan 8.240 nan 0.000 0.442 395 F N 0.267 120.181 119.950 -0.060 0.000 2.664 395 F HA 0.754 5.194 4.527 -0.145 0.000 0.317 395 F C -0.880 174.870 175.800 -0.084 0.000 1.108 395 F CA -1.917 56.028 58.000 -0.092 0.000 0.957 395 F CB 1.811 40.650 39.000 -0.269 0.000 1.365 395 F HN 0.389 nan 8.300 nan 0.000 0.475 396 M N 4.837 124.452 119.600 0.025 0.000 2.061 396 M HA 0.433 4.825 4.480 -0.147 0.000 0.346 396 M C -2.715 173.566 176.300 -0.032 0.000 1.112 396 M CA -2.023 53.224 55.300 -0.087 0.000 1.021 396 M CB 1.318 33.916 32.600 -0.005 0.000 1.530 396 M HN 0.435 nan 8.290 nan 0.000 0.437 397 P HA 0.164 nan 4.420 nan 0.000 0.275 397 P C -1.196 175.873 177.300 -0.384 0.000 1.228 397 P CA -0.149 62.783 63.100 -0.280 0.000 0.786 397 P CB 1.055 32.437 31.700 -0.529 0.000 0.927 398 S N 0.724 116.329 115.700 -0.159 0.000 2.726 398 S HA 0.608 4.990 4.470 -0.147 0.000 0.308 398 S C 1.270 176.019 174.600 0.249 0.000 1.115 398 S CA -0.244 57.983 58.200 0.046 0.000 0.965 398 S CB 1.191 64.387 63.200 -0.005 0.000 1.145 398 S HN 0.417 nan 8.310 nan 0.000 0.532 399 A N -0.106 122.937 122.820 0.372 0.000 2.067 399 A HA 0.111 4.343 4.320 -0.147 0.000 0.219 399 A C 1.595 179.291 177.584 0.188 0.000 1.158 399 A CA 0.870 53.136 52.037 0.381 0.000 0.661 399 A CB -0.812 18.343 19.000 0.259 0.000 0.801 399 A HN 0.630 nan 8.150 nan 0.000 0.452 400 L N -0.127 121.119 121.223 0.037 0.000 2.591 400 L HA 0.090 4.342 4.340 -0.147 0.000 0.228 400 L C 0.806 177.538 176.870 -0.230 0.000 1.133 400 L CA 0.957 55.737 54.840 -0.100 0.000 0.880 400 L CB -0.325 41.635 42.059 -0.166 0.000 1.033 400 L HN 0.285 nan 8.230 nan 0.000 0.450 401 D N -1.140 119.142 120.400 -0.197 0.000 2.350 401 D HA 0.080 4.632 4.640 -0.147 0.000 0.213 401 D C -0.178 175.854 176.300 -0.446 0.000 1.031 401 D CA 0.488 54.276 54.000 -0.353 0.000 0.861 401 D CB 0.456 40.859 40.800 -0.663 0.000 0.926 401 D HN 0.119 nan 8.370 nan 0.000 0.520 402 F N -1.017 119.056 119.950 0.205 0.000 2.556 402 F HA 0.238 4.678 4.527 -0.145 0.000 0.314 402 F C 0.601 176.471 175.800 0.117 0.000 1.106 402 F CA -1.052 57.037 58.000 0.148 0.000 0.911 402 F CB 0.915 39.967 39.000 0.087 0.000 1.190 402 F HN -0.272 nan 8.300 nan 0.000 0.448 403 Y N 0.623 121.121 120.300 0.329 0.000 2.421 403 Y HA -0.151 4.311 4.550 -0.147 0.000 0.292 403 Y C 2.328 178.394 175.900 0.277 0.000 1.136 403 Y CA 1.148 59.386 58.100 0.231 0.000 1.255 403 Y CB 0.042 38.508 38.460 0.011 0.000 0.991 403 Y HN 0.533 nan 8.280 nan 0.000 0.552 404 Q N -0.511 119.455 119.800 0.276 0.000 2.444 404 Q HA -0.010 4.242 4.340 -0.147 0.000 0.206 404 Q C 0.971 176.816 176.000 -0.259 0.000 0.948 404 Q CA 1.466 57.239 55.803 -0.051 0.000 0.946 404 Q CB -0.520 27.971 28.738 -0.413 0.000 1.027 404 Q HN 0.535 nan 8.270 nan 0.000 0.513 405 T N -4.934 109.596 114.554 -0.040 0.000 3.058 405 T HA 0.247 4.509 4.350 -0.147 0.000 0.278 405 T C 1.583 176.259 174.700 -0.040 0.000 0.974 405 T CA 0.224 62.283 62.100 -0.067 0.000 0.893 405 T CB 0.185 69.094 68.868 0.068 0.000 1.138 405 T HN 0.034 nan 8.240 nan 0.000 0.529 406 S N 2.060 117.733 115.700 -0.045 0.000 2.370 406 S HA -0.009 4.373 4.470 -0.147 0.000 0.226 406 S C 1.567 175.804 174.600 -0.606 0.000 1.033 406 S CA 1.153 59.207 58.200 -0.244 0.000 1.011 406 S CB -0.481 62.598 63.200 -0.202 0.000 0.852 406 S HN 0.303 nan 8.310 nan 0.000 0.457 407 L N 1.345 122.120 121.223 -0.747 0.000 2.549 407 L HA 0.070 4.322 4.340 -0.147 0.000 0.229 407 L C 2.141 178.897 176.870 -0.190 0.000 1.158 407 L CA 1.145 55.561 54.840 -0.707 0.000 0.842 407 L CB -0.597 41.175 42.059 -0.479 0.000 0.952 407 L HN 0.165 nan 8.230 nan 0.000 0.452 408 R N -1.058 119.337 120.500 -0.175 0.000 2.153 408 R HA -0.015 4.237 4.340 -0.147 0.000 0.218 408 R C 0.432 176.574 176.300 -0.263 0.000 1.072 408 R CA 0.305 56.358 56.100 -0.079 0.000 0.990 408 R CB 0.005 30.306 30.300 0.002 0.000 0.889 408 R HN 0.232 nan 8.270 nan 0.000 0.452 409 D N 0.202 120.369 120.400 -0.388 0.000 2.280 409 D HA 0.097 4.649 4.640 -0.147 0.000 0.243 409 D C -1.926 174.319 176.300 -0.091 0.000 1.129 409 D CA -2.381 51.299 54.000 -0.534 0.000 0.848 409 D CB 1.888 42.453 40.800 -0.392 0.000 1.107 409 D HN -0.185 nan 8.370 nan 0.000 0.471 410 P HA -0.126 nan 4.420 nan 0.000 0.216 410 P C 1.196 178.570 177.300 0.123 0.000 1.150 410 P CA 1.568 64.780 63.100 0.186 0.000 0.837 410 P CB 0.103 31.887 31.700 0.140 0.000 0.786 411 T N -4.255 110.283 114.554 -0.027 0.000 3.072 411 T HA -0.132 4.130 4.350 -0.147 0.000 0.266 411 T C 1.526 176.141 174.700 -0.141 0.000 1.127 411 T CA 0.269 62.286 62.100 -0.138 0.000 1.107 411 T CB -1.312 67.405 68.868 -0.252 0.000 0.910 411 T HN 0.026 nan 8.240 nan 0.000 0.513 412 F N 1.775 121.580 119.950 -0.240 0.000 2.102 412 F HA -0.022 4.417 4.527 -0.146 0.000 0.298 412 F C 1.846 177.470 175.800 -0.294 0.000 1.105 412 F CA 0.734 58.549 58.000 -0.309 0.000 1.239 412 F CB -0.501 38.174 39.000 -0.542 0.000 0.991 412 F HN 0.127 nan 8.300 nan 0.000 0.474 413 Y N 0.734 120.862 120.300 -0.288 0.000 2.242 413 Y HA -0.161 4.300 4.550 -0.147 0.000 0.291 413 Y C 2.634 178.385 175.900 -0.247 0.000 1.137 413 Y CA 1.586 59.449 58.100 -0.396 0.000 1.181 413 Y CB -1.090 37.039 38.460 -0.551 0.000 0.989 413 Y HN 0.159 nan 8.280 nan 0.000 0.527 414 Q N -0.359 119.441 119.800 -0.001 0.000 2.124 414 Q HA -0.189 4.063 4.340 -0.147 0.000 0.202 414 Q C 2.208 178.246 176.000 0.063 0.000 0.977 414 Q CA 1.558 57.397 55.803 0.060 0.000 0.850 414 Q CB -0.374 28.414 28.738 0.082 0.000 0.901 414 Q HN 0.426 nan 8.270 nan 0.000 0.429 415 L N -0.539 120.625 121.223 -0.099 0.000 1.976 415 L HA -0.184 4.068 4.340 -0.147 0.000 0.209 415 L C 1.799 178.430 176.870 -0.397 0.000 1.071 415 L CA 1.873 56.610 54.840 -0.171 0.000 0.746 415 L CB -0.680 41.151 42.059 -0.381 0.000 0.890 415 L HN 0.152 nan 8.230 nan 0.000 0.432 416 Y N -0.131 119.911 120.300 -0.430 0.000 2.439 416 Y HA -0.138 4.323 4.550 -0.147 0.000 0.292 416 Y C 2.626 178.316 175.900 -0.350 0.000 1.130 416 Y CA 1.505 59.305 58.100 -0.499 0.000 1.254 416 Y CB -0.663 37.314 38.460 -0.805 0.000 1.000 416 Y HN 0.462 nan 8.280 nan 0.000 0.554 417 N N 0.706 119.308 118.700 -0.164 0.000 2.270 417 N HA -0.185 4.467 4.740 -0.147 0.000 0.181 417 N C 2.152 177.530 175.510 -0.220 0.000 1.016 417 N CA 0.626 53.590 53.050 -0.144 0.000 0.870 417 N CB -0.044 38.389 38.487 -0.090 0.000 0.979 417 N HN 0.351 nan 8.380 nan 0.000 0.431 418 R N 0.724 121.070 120.500 -0.258 0.000 2.066 418 R HA -0.001 4.251 4.340 -0.147 0.000 0.232 418 R C 2.367 178.379 176.300 -0.480 0.000 1.131 418 R CA 0.859 56.728 56.100 -0.385 0.000 0.955 418 R CB -0.157 29.945 30.300 -0.330 0.000 0.851 418 R HN 0.226 nan 8.270 nan 0.000 0.432 419 I N 0.930 121.251 120.570 -0.416 0.000 2.179 419 I HA -0.288 3.794 4.170 -0.147 0.000 0.242 419 I C 2.019 177.905 176.117 -0.384 0.000 1.088 419 I CA 0.951 61.891 61.300 -0.599 0.000 1.357 419 I CB -0.199 37.526 38.000 -0.460 0.000 1.051 419 I HN 0.219 nan 8.210 nan 0.000 0.409 420 I N 0.963 121.443 120.570 -0.150 0.000 2.676 420 I HA -0.117 3.964 4.170 -0.147 0.000 0.259 420 I C 2.630 178.787 176.117 0.065 0.000 1.194 420 I CA 1.219 62.562 61.300 0.071 0.000 1.473 420 I CB -1.969 36.035 38.000 0.008 0.000 1.096 420 I HN 0.216 nan 8.210 nan 0.000 0.443 421 G N 0.184 108.899 108.800 -0.143 0.000 2.418 421 G HA2 -0.278 3.594 3.960 -0.147 0.000 0.217 421 G HA3 -0.278 3.594 3.960 -0.147 0.000 0.217 421 G C 1.556 176.438 174.900 -0.030 0.000 1.158 421 G CA 0.511 45.511 45.100 -0.166 0.000 0.771 421 G HN 0.256 nan 8.290 nan 0.000 0.545 422 Y N -0.700 119.603 120.300 0.004 0.000 2.242 422 Y HA 0.101 4.563 4.550 -0.147 0.000 0.291 422 Y C 2.373 178.522 175.900 0.414 0.000 1.137 422 Y CA 0.077 58.271 58.100 0.157 0.000 1.181 422 Y CB -0.664 37.690 38.460 -0.177 0.000 0.989 422 Y HN 0.184 nan 8.280 nan 0.000 0.527 423 F N 1.209 121.347 119.950 0.314 0.000 2.146 423 F HA -0.190 4.249 4.527 -0.147 0.000 0.298 423 F C 1.902 178.053 175.800 0.585 0.000 1.096 423 F CA 1.315 59.620 58.000 0.508 0.000 1.275 423 F CB -0.578 38.708 39.000 0.478 0.000 1.008 423 F HN 0.023 nan 8.300 nan 0.000 0.480 424 N N 0.048 119.176 118.700 0.713 0.000 2.309 424 N HA -0.135 4.517 4.740 -0.147 0.000 0.182 424 N C 1.815 177.686 175.510 0.602 0.000 1.018 424 N CA 0.826 54.256 53.050 0.633 0.000 0.876 424 N CB -0.400 38.301 38.487 0.357 0.000 0.972 424 N HN 0.493 nan 8.380 nan 0.000 0.434 425 Q N -0.379 119.766 119.800 0.574 0.000 2.046 425 Q HA -0.083 4.169 4.340 -0.147 0.000 0.200 425 Q C 1.739 178.157 176.000 0.696 0.000 0.975 425 Q CA 0.871 57.010 55.803 0.560 0.000 0.836 425 Q CB -0.247 28.831 28.738 0.567 0.000 0.896 425 Q HN 0.355 nan 8.270 nan 0.000 0.428 426 F N 2.129 122.456 119.950 0.628 0.000 2.120 426 F HA -0.218 4.221 4.527 -0.147 0.000 0.300 426 F C 1.677 177.794 175.800 0.529 0.000 1.095 426 F CA 1.526 59.852 58.000 0.543 0.000 1.249 426 F CB -0.080 39.279 39.000 0.599 0.000 0.995 426 F HN -0.146 nan 8.300 nan 0.000 0.480 427 K N 0.281 120.810 120.400 0.214 0.000 2.360 427 K HA -0.187 4.045 4.320 -0.147 0.000 0.201 427 K C 1.837 178.380 176.600 -0.096 0.000 1.046 427 K CA 1.336 57.577 56.287 -0.077 0.000 0.945 427 K CB -0.347 32.229 32.500 0.126 0.000 0.750 427 K HN 0.637 nan 8.250 nan 0.000 0.464 428 Q N -0.821 119.020 119.800 0.067 0.000 2.444 428 Q HA -0.066 4.186 4.340 -0.147 0.000 0.206 428 Q C 0.547 176.416 176.000 -0.219 0.000 0.948 428 Q CA 0.786 56.533 55.803 -0.093 0.000 0.946 428 Q CB 0.044 28.751 28.738 -0.052 0.000 1.027 428 Q HN 0.355 nan 8.270 nan 0.000 0.513 429 Y N 0.741 120.959 120.300 -0.138 0.000 2.457 429 Y HA 0.299 4.761 4.550 -0.147 0.000 0.263 429 Y C 0.692 176.490 175.900 -0.171 0.000 1.164 429 Y CA -0.196 57.830 58.100 -0.124 0.000 1.274 429 Y CB 0.598 39.014 38.460 -0.074 0.000 1.097 429 Y HN 0.024 nan 8.280 nan 0.000 0.523 430 L N -0.032 121.116 121.223 -0.124 0.000 2.400 430 L HA 0.301 4.553 4.340 -0.147 0.000 0.264 430 L C 0.353 177.135 176.870 -0.148 0.000 1.061 430 L CA -1.229 53.523 54.840 -0.147 0.000 0.799 430 L CB 0.758 42.681 42.059 -0.226 0.000 1.240 430 L HN -0.058 nan 8.230 nan 0.000 0.461 431 E N 3.223 123.357 120.200 -0.111 0.000 2.415 431 E HA 0.091 4.353 4.350 -0.147 0.000 0.260 431 E C -2.321 174.178 176.600 -0.168 0.000 1.016 431 E CA -1.111 55.226 56.400 -0.105 0.000 0.924 431 E CB 0.469 30.138 29.700 -0.052 0.000 0.961 431 E HN 0.151 nan 8.360 nan 0.000 0.459 432 P HA 0.082 nan 4.420 nan 0.000 0.278 432 P C -0.915 176.288 177.300 -0.162 0.000 1.238 432 P CA -0.244 62.692 63.100 -0.274 0.000 0.794 432 P CB 0.508 32.064 31.700 -0.239 0.000 0.955 433 H N 0.174 119.157 119.070 -0.144 0.000 3.107 433 H HA 0.093 4.561 4.556 -0.147 0.000 0.301 433 H C 1.200 176.474 175.328 -0.089 0.000 0.981 433 H CA -0.267 55.720 56.048 -0.102 0.000 1.443 433 H CB 0.247 29.920 29.762 -0.148 0.000 1.479 433 H HN 0.444 nan 8.280 nan 0.000 0.564 434 S N 2.870 118.619 115.700 0.081 0.000 2.608 434 S HA -0.008 4.374 4.470 -0.147 0.000 0.261 434 S C 1.236 175.863 174.600 0.044 0.000 1.314 434 S CA -0.936 57.287 58.200 0.039 0.000 0.992 434 S CB 1.394 64.618 63.200 0.039 0.000 0.935 434 S HN 0.654 nan 8.310 nan 0.000 0.564 435 Q N 0.584 120.407 119.800 0.040 0.000 2.172 435 Q HA -0.080 4.172 4.340 -0.147 0.000 0.200 435 Q C 2.043 178.103 176.000 0.101 0.000 0.964 435 Q CA 1.458 57.293 55.803 0.053 0.000 0.855 435 Q CB -0.536 28.229 28.738 0.044 0.000 0.918 435 Q HN 0.952 nan 8.270 nan 0.000 0.444 436 E N 1.178 121.439 120.200 0.102 0.000 2.051 436 E HA -0.184 4.078 4.350 -0.147 0.000 0.192 436 E C 1.635 178.319 176.600 0.141 0.000 0.991 436 E CA 1.036 57.520 56.400 0.139 0.000 0.799 436 E CB 0.188 29.946 29.700 0.097 0.000 0.748 436 E HN 0.253 nan 8.360 nan 0.000 0.449 437 K N 0.017 120.475 120.400 0.096 0.000 2.097 437 K HA -0.150 4.082 4.320 -0.147 0.000 0.206 437 K C 2.149 178.818 176.600 0.114 0.000 1.049 437 K CA 0.829 57.164 56.287 0.080 0.000 0.933 437 K CB -0.073 32.458 32.500 0.052 0.000 0.717 437 K HN 0.106 nan 8.250 nan 0.000 0.442 438 L N 0.652 121.950 121.223 0.125 0.000 2.217 438 L HA -0.067 4.185 4.340 -0.147 0.000 0.211 438 L C 1.184 178.242 176.870 0.312 0.000 1.107 438 L CA 1.216 56.166 54.840 0.184 0.000 0.783 438 L CB -0.797 41.301 42.059 0.066 0.000 0.919 438 L HN 0.243 nan 8.230 nan 0.000 0.442 439 H N -0.720 118.440 119.070 0.150 0.000 2.886 439 H HA -0.045 4.423 4.556 -0.147 0.000 0.329 439 H C -0.723 174.735 175.328 0.216 0.000 1.044 439 H CA -0.467 55.685 56.048 0.173 0.000 1.456 439 H CB 0.433 30.275 29.762 0.133 0.000 1.464 439 H HN -0.059 nan 8.280 nan 0.000 0.573 440 F N 7.628 127.673 119.950 0.159 0.000 2.291 440 F HA 0.121 4.560 4.527 -0.147 0.000 0.368 440 F C -0.472 175.212 175.800 -0.192 0.000 1.085 440 F CA -1.338 56.641 58.000 -0.035 0.000 1.165 440 F CB -0.275 38.725 39.000 0.001 0.000 1.429 440 F HN 0.373 nan 8.300 nan 0.000 0.503 441 V N 4.169 124.035 119.914 -0.080 0.000 2.475 441 V HA 0.458 4.490 4.120 -0.147 0.000 0.292 441 V C 0.930 176.960 176.094 -0.108 0.000 1.003 441 V CA 0.663 62.829 62.300 -0.224 0.000 1.120 441 V CB 0.006 31.730 31.823 -0.166 0.000 0.937 441 V HN 1.238 nan 8.190 nan 0.000 0.476 442 G N 2.725 111.462 108.800 -0.105 0.000 2.232 442 G HA2 -0.171 3.701 3.960 -0.147 0.000 0.226 442 G HA3 -0.171 3.701 3.960 -0.147 0.000 0.226 442 G C 0.044 174.812 174.900 -0.220 0.000 0.996 442 G CA -0.109 44.911 45.100 -0.133 0.000 0.626 442 G HN 1.393 nan 8.290 nan 0.000 0.509 443 V N 1.224 120.936 119.914 -0.337 0.000 2.483 443 V HA 0.756 4.788 4.120 -0.147 0.000 0.295 443 V C 0.227 176.261 176.094 -0.100 0.000 1.035 443 V CA -0.210 61.867 62.300 -0.372 0.000 0.896 443 V CB 1.781 33.079 31.823 -0.875 0.000 0.986 443 V HN 0.480 nan 8.190 nan 0.000 0.447 444 K N 2.956 123.321 120.400 -0.058 0.000 2.525 444 K HA 0.621 4.853 4.320 -0.147 0.000 0.254 444 K C -1.870 174.745 176.600 0.025 0.000 0.934 444 K CA -0.606 55.699 56.287 0.029 0.000 0.802 444 K CB 2.485 35.011 32.500 0.043 0.000 1.295 444 K HN 0.423 nan 8.250 nan 0.000 0.433 445 V N 5.113 125.074 119.914 0.078 0.000 2.320 445 V HA 0.103 4.135 4.120 -0.147 0.000 0.265 445 V C 0.813 176.912 176.094 0.008 0.000 1.048 445 V CA -0.624 61.697 62.300 0.035 0.000 0.865 445 V CB 0.801 32.689 31.823 0.108 0.000 1.043 445 V HN 0.779 nan 8.190 nan 0.000 0.474 446 N N 3.494 122.157 118.700 -0.062 0.000 2.216 446 N HA -0.028 4.624 4.740 -0.147 0.000 0.183 446 N C 0.615 175.993 175.510 -0.220 0.000 1.017 446 N CA 0.949 53.967 53.050 -0.054 0.000 0.861 446 N CB 0.093 38.558 38.487 -0.037 0.000 0.986 446 N HN 0.722 nan 8.380 nan 0.000 0.428 447 N N -1.386 117.023 118.700 -0.485 0.000 3.127 447 N HA 0.286 4.938 4.740 -0.147 0.000 0.239 447 N C -2.190 172.878 175.510 -0.737 0.000 1.407 447 N CA -0.427 52.143 53.050 -0.799 0.000 0.891 447 N CB 1.419 39.739 38.487 -0.277 0.000 1.447 447 N HN -0.320 nan 8.380 nan 0.000 0.507 448 V N 1.132 120.647 119.914 -0.666 0.000 2.733 448 V HA 0.601 4.633 4.120 -0.147 0.000 0.306 448 V C -0.925 175.172 176.094 0.005 0.000 1.084 448 V CA -0.663 61.520 62.300 -0.194 0.000 0.905 448 V CB 1.837 33.663 31.823 0.006 0.000 1.010 448 V HN 0.500 nan 8.190 nan 0.000 0.424 449 V N 5.016 124.946 119.914 0.027 0.000 2.540 449 V HA 0.617 4.649 4.120 -0.147 0.000 0.302 449 V C -0.507 175.616 176.094 0.047 0.000 1.035 449 V CA -0.667 61.659 62.300 0.044 0.000 0.873 449 V CB 2.111 33.951 31.823 0.029 0.000 0.992 449 V HN 0.595 nan 8.190 nan 0.000 0.428 450 V N 3.314 123.233 119.914 0.008 0.000 2.448 450 V HA 0.427 4.459 4.120 -0.147 0.000 0.295 450 V C -0.186 175.887 176.094 -0.036 0.000 1.025 450 V CA -0.813 61.458 62.300 -0.048 0.000 0.859 450 V CB 1.702 33.355 31.823 -0.283 0.000 0.988 450 V HN 0.828 nan 8.190 nan 0.000 0.431 451 D N 2.458 122.880 120.400 0.037 0.000 2.352 451 D HA 0.054 4.606 4.640 -0.147 0.000 0.238 451 D C 0.375 176.665 176.300 -0.016 0.000 1.286 451 D CA -0.015 54.012 54.000 0.044 0.000 0.923 451 D CB 0.618 41.490 40.800 0.121 0.000 1.146 451 D HN 0.480 nan 8.370 nan 0.000 0.471 452 K N 0.501 120.903 120.400 0.002 0.000 2.451 452 K HA 0.010 4.242 4.320 -0.147 0.000 0.280 452 K C -0.769 175.828 176.600 -0.005 0.000 1.020 452 K CA -0.392 55.892 56.287 -0.005 0.000 1.008 452 K CB 0.240 32.717 32.500 -0.038 0.000 0.917 452 K HN 0.107 nan 8.250 nan 0.000 0.478 453 L N 5.562 126.779 121.223 -0.010 0.000 2.257 453 L HA 0.299 4.551 4.340 -0.147 0.000 0.290 453 L C -0.762 176.186 176.870 0.129 0.000 1.044 453 L CA -0.288 54.510 54.840 -0.070 0.000 0.810 453 L CB 1.280 43.224 42.059 -0.190 0.000 1.193 453 L HN 0.321 nan 8.230 nan 0.000 0.425 454 V N 1.905 121.910 119.914 0.151 0.000 2.686 454 V HA 0.687 4.719 4.120 -0.147 0.000 0.306 454 V C 0.143 176.361 176.094 0.207 0.000 1.065 454 V CA -0.794 61.622 62.300 0.193 0.000 0.894 454 V CB 2.050 33.972 31.823 0.163 0.000 1.004 454 V HN 0.807 nan 8.190 nan 0.000 0.424 455 T N 1.222 115.858 114.554 0.137 0.000 2.952 455 T HA 0.973 5.235 4.350 -0.147 0.000 0.286 455 T C -0.727 173.912 174.700 -0.101 0.000 1.024 455 T CA -0.617 61.491 62.100 0.014 0.000 1.029 455 T CB 2.149 71.032 68.868 0.025 0.000 1.094 455 T HN 1.211 nan 8.240 nan 0.000 0.515 456 F N -1.857 117.904 119.950 -0.315 0.000 2.842 456 F HA 0.716 5.154 4.527 -0.148 0.000 0.319 456 F C -2.378 173.225 175.800 -0.328 0.000 1.159 456 F CA -2.173 55.554 58.000 -0.454 0.000 0.902 456 F CB 0.506 39.336 39.000 -0.284 0.000 1.311 456 F HN 0.532 nan 8.300 nan 0.000 0.453 457 F N 1.437 121.533 119.950 0.243 0.000 2.422 457 F HA 0.625 5.066 4.527 -0.143 0.000 0.333 457 F C -0.032 175.774 175.800 0.011 0.000 1.095 457 F CA -0.563 57.487 58.000 0.082 0.000 1.038 457 F CB 1.788 40.886 39.000 0.164 0.000 1.156 457 F HN 0.679 nan 8.300 nan 0.000 0.483 458 E N 2.212 122.520 120.200 0.181 0.000 2.275 458 E HA 0.275 4.537 4.350 -0.147 0.000 0.270 458 E C -1.580 175.095 176.600 0.126 0.000 0.882 458 E CA -0.815 55.651 56.400 0.110 0.000 0.758 458 E CB 1.094 30.968 29.700 0.291 0.000 1.195 458 E HN 0.438 nan 8.360 nan 0.000 0.419 459 Y N 2.375 122.752 120.300 0.128 0.000 2.811 459 Y HA 0.017 4.479 4.550 -0.146 0.000 0.334 459 Y C -0.347 175.677 175.900 0.207 0.000 1.247 459 Y CA 0.759 58.946 58.100 0.145 0.000 1.526 459 Y CB 0.132 38.655 38.460 0.105 0.000 1.284 459 Y HN 0.394 nan 8.280 nan 0.000 0.586 460 Y N 3.050 123.499 120.300 0.249 0.000 2.421 460 Y HA 0.392 4.854 4.550 -0.148 0.000 0.339 460 Y C -1.294 174.683 175.900 0.128 0.000 0.996 460 Y CA -1.177 57.026 58.100 0.171 0.000 1.046 460 Y CB 1.158 39.716 38.460 0.163 0.000 1.226 460 Y HN 0.576 nan 8.280 nan 0.000 0.445 461 D N 5.914 126.081 120.400 -0.388 0.000 2.269 461 D HA 0.458 5.010 4.640 -0.147 0.000 0.244 461 D C -1.149 175.026 176.300 -0.209 0.000 0.992 461 D CA 0.042 53.884 54.000 -0.262 0.000 0.894 461 D CB 2.055 42.701 40.800 -0.257 0.000 1.248 461 D HN 0.467 nan 8.370 nan 0.000 0.468 462 F N -1.451 118.448 119.950 -0.085 0.000 2.631 462 F HA 0.351 4.792 4.527 -0.143 0.000 0.308 462 F C -0.790 175.073 175.800 0.105 0.000 1.097 462 F CA -1.211 56.828 58.000 0.065 0.000 0.952 462 F CB 1.381 40.547 39.000 0.276 0.000 1.307 462 F HN -0.057 nan 8.300 nan 0.000 0.450 463 D N 2.435 123.035 120.400 0.333 0.000 2.346 463 D HA 0.362 4.914 4.640 -0.147 0.000 0.260 463 D C 0.269 176.737 176.300 0.279 0.000 1.252 463 D CA 0.344 54.482 54.000 0.230 0.000 0.895 463 D CB 1.482 42.441 40.800 0.265 0.000 1.097 463 D HN 0.838 nan 8.370 nan 0.000 0.489 464 A N 3.152 126.010 122.820 0.063 0.000 2.545 464 A HA 0.125 4.357 4.320 -0.147 0.000 0.277 464 A C 1.675 179.313 177.584 0.089 0.000 1.301 464 A CA -0.308 51.795 52.037 0.109 0.000 0.935 464 A CB 0.000 18.937 19.000 -0.105 0.000 1.093 464 A HN 0.531 nan 8.150 nan 0.000 0.519 465 T N 0.854 115.475 114.554 0.113 0.000 2.881 465 T HA -0.135 4.127 4.350 -0.147 0.000 0.270 465 T C 1.662 176.396 174.700 0.056 0.000 1.068 465 T CA 1.388 63.538 62.100 0.084 0.000 1.131 465 T CB -0.312 68.606 68.868 0.083 0.000 0.871 465 T HN 0.512 nan 8.240 nan 0.000 0.479 466 N N 0.976 119.715 118.700 0.064 0.000 2.430 466 N HA -0.069 4.583 4.740 -0.147 0.000 0.186 466 N C 1.821 177.343 175.510 0.021 0.000 1.032 466 N CA 0.903 53.966 53.050 0.021 0.000 0.893 466 N CB -0.421 38.089 38.487 0.038 0.000 0.957 466 N HN 0.398 nan 8.380 nan 0.000 0.442 467 T N 0.375 114.973 114.554 0.072 0.000 2.759 467 T HA -0.050 4.212 4.350 -0.147 0.000 0.269 467 T C 1.106 175.945 174.700 0.231 0.000 1.042 467 T CA 0.662 62.835 62.100 0.122 0.000 1.140 467 T CB 0.179 69.073 68.868 0.044 0.000 0.864 467 T HN -0.068 nan 8.240 nan 0.000 0.455 468 V N 0.757 120.760 119.914 0.148 0.000 2.973 468 V HA 0.443 4.475 4.120 -0.147 0.000 0.314 468 V C -0.534 175.567 176.094 0.011 0.000 1.066 468 V CA -0.960 61.462 62.300 0.202 0.000 1.021 468 V CB 1.335 33.265 31.823 0.178 0.000 1.076 468 V HN 0.193 nan 8.190 nan 0.000 0.462 469 F N 2.665 122.665 119.950 0.083 0.000 2.420 469 F HA 0.545 4.982 4.527 -0.150 0.000 0.342 469 F C 0.300 176.121 175.800 0.036 0.000 1.113 469 F CA -0.427 57.604 58.000 0.052 0.000 1.059 469 F CB 1.056 40.051 39.000 -0.007 0.000 1.128 469 F HN 0.148 nan 8.300 nan 0.000 0.475 470 L N 2.003 123.342 121.223 0.192 0.000 2.421 470 L HA 0.403 4.655 4.340 -0.147 0.000 0.263 470 L C 0.568 177.494 176.870 0.094 0.000 1.122 470 L CA -0.573 54.339 54.840 0.121 0.000 0.804 470 L CB 0.878 42.999 42.059 0.105 0.000 1.150 470 L HN 0.540 nan 8.230 nan 0.000 0.457 471 T N -0.092 114.490 114.554 0.046 0.000 2.882 471 T HA -0.004 4.258 4.350 -0.147 0.000 0.287 471 T C 1.095 175.794 174.700 -0.002 0.000 1.014 471 T CA -0.283 61.827 62.100 0.016 0.000 1.049 471 T CB 1.294 70.163 68.868 0.002 0.000 1.001 471 T HN 0.703 nan 8.240 nan 0.000 0.525 472 E N 1.067 121.257 120.200 -0.016 0.000 2.118 472 E HA -0.197 4.065 4.350 -0.147 0.000 0.195 472 E C 1.629 178.201 176.600 -0.047 0.000 0.992 472 E CA 1.265 57.645 56.400 -0.035 0.000 0.804 472 E CB 0.171 29.847 29.700 -0.040 0.000 0.741 472 E HN 0.501 nan 8.360 nan 0.000 0.458 473 E N 0.490 120.666 120.200 -0.040 0.000 2.107 473 E HA -0.164 4.098 4.350 -0.147 0.000 0.191 473 E C 1.923 178.489 176.600 -0.055 0.000 0.982 473 E CA 0.922 57.294 56.400 -0.046 0.000 0.809 473 E CB -0.092 29.587 29.700 -0.034 0.000 0.756 473 E HN 0.457 nan 8.360 nan 0.000 0.459 474 E N 0.623 120.796 120.200 -0.045 0.000 2.204 474 E HA -0.105 4.157 4.350 -0.147 0.000 0.195 474 E C 2.127 178.662 176.600 -0.108 0.000 0.990 474 E CA 0.450 56.816 56.400 -0.056 0.000 0.821 474 E CB -0.091 29.596 29.700 -0.021 0.000 0.750 474 E HN 0.206 nan 8.360 nan 0.000 0.477 475 L N 0.685 121.850 121.223 -0.097 0.000 2.376 475 L HA -0.101 4.151 4.340 -0.147 0.000 0.219 475 L C 2.068 178.827 176.870 -0.185 0.000 1.133 475 L CA 0.814 55.567 54.840 -0.145 0.000 0.816 475 L CB -0.093 41.920 42.059 -0.077 0.000 0.933 475 L HN 0.006 nan 8.230 nan 0.000 0.449 476 K N -1.198 119.119 120.400 -0.140 0.000 2.366 476 K HA -0.001 4.231 4.320 -0.147 0.000 0.198 476 K C 1.058 177.577 176.600 -0.136 0.000 1.044 476 K CA 0.418 56.629 56.287 -0.126 0.000 0.973 476 K CB 0.178 32.623 32.500 -0.091 0.000 0.767 476 K HN 0.147 nan 8.250 nan 0.000 0.475 477 T N 0.555 115.015 114.554 -0.156 0.000 2.870 477 T HA 0.217 4.479 4.350 -0.147 0.000 0.277 477 T C -1.141 173.423 174.700 -0.227 0.000 1.000 477 T CA -1.007 61.006 62.100 -0.145 0.000 0.982 477 T CB 0.917 69.728 68.868 -0.096 0.000 1.249 477 T HN 0.098 nan 8.240 nan 0.000 0.589 478 K N 1.149 121.450 120.400 -0.165 0.000 2.355 478 K HA 0.145 4.377 4.320 -0.147 0.000 0.270 478 K C -0.835 175.649 176.600 -0.193 0.000 1.003 478 K CA -0.281 55.902 56.287 -0.174 0.000 0.957 478 K CB -0.011 32.468 32.500 -0.034 0.000 0.939 478 K HN 0.532 nan 8.250 nan 0.000 0.482 479 Y N 2.274 122.568 120.300 -0.010 0.000 2.717 479 Y HA -0.044 4.417 4.550 -0.148 0.000 0.330 479 Y C -0.905 174.903 175.900 -0.153 0.000 1.217 479 Y CA -1.338 56.687 58.100 -0.125 0.000 1.506 479 Y CB 0.164 38.485 38.460 -0.231 0.000 1.268 479 Y HN 0.661 nan 8.280 nan 0.000 0.561 480 P HA -0.199 nan 4.420 nan 0.000 0.219 480 P C -0.376 176.961 177.300 0.061 0.000 1.150 480 P CA 1.652 64.760 63.100 0.013 0.000 0.814 480 P CB 0.082 31.795 31.700 0.022 0.000 0.787 481 H N -1.354 117.802 119.070 0.142 0.000 2.690 481 H HA -0.169 4.299 4.556 -0.147 0.000 0.309 481 H C 1.359 176.751 175.328 0.107 0.000 1.138 481 H CA 0.419 56.553 56.048 0.144 0.000 1.142 481 H CB -2.474 27.388 29.762 0.166 0.000 1.410 481 H HN 0.212 nan 8.280 nan 0.000 0.409 482 N N -0.008 118.766 118.700 0.123 0.000 2.135 482 N HA -0.045 4.607 4.740 -0.147 0.000 0.186 482 N C 0.108 175.755 175.510 0.227 0.000 1.027 482 N CA 0.825 53.929 53.050 0.091 0.000 0.849 482 N CB 0.270 38.834 38.487 0.129 0.000 1.002 482 N HN 0.207 nan 8.380 nan 0.000 0.425 483 L N 1.071 122.438 121.223 0.240 0.000 2.350 483 L HA 0.414 4.666 4.340 -0.147 0.000 0.275 483 L C 0.116 177.104 176.870 0.197 0.000 1.099 483 L CA 0.090 55.096 54.840 0.277 0.000 0.808 483 L CB 0.810 42.979 42.059 0.183 0.000 1.149 483 L HN 0.046 nan 8.230 nan 0.000 0.442 484 K N 1.465 121.971 120.400 0.176 0.000 2.471 484 K HA 0.577 4.809 4.320 -0.147 0.000 0.252 484 K C -1.364 175.159 176.600 -0.129 0.000 0.938 484 K CA -0.614 55.656 56.287 -0.028 0.000 0.796 484 K CB 2.637 35.105 32.500 -0.055 0.000 1.161 484 K HN 0.259 nan 8.250 nan 0.000 0.425 485 V N 3.721 123.360 119.914 -0.459 0.000 2.427 485 V HA 0.397 4.429 4.120 -0.147 0.000 0.286 485 V C -0.140 175.732 176.094 -0.370 0.000 1.034 485 V CA -0.595 61.420 62.300 -0.474 0.000 0.893 485 V CB 1.410 32.716 31.823 -0.862 0.000 0.982 485 V HN 0.648 nan 8.190 nan 0.000 0.452 486 R N 4.346 124.679 120.500 -0.279 0.000 2.437 486 R HA 0.664 4.916 4.340 -0.147 0.000 0.310 486 R C -1.100 175.165 176.300 -0.059 0.000 0.955 486 R CA -0.483 55.469 56.100 -0.248 0.000 0.851 486 R CB 1.401 31.320 30.300 -0.635 0.000 1.161 486 R HN 0.831 nan 8.270 nan 0.000 0.446 487 Q N 4.412 124.299 119.800 0.145 0.000 2.340 487 Q HA 0.412 4.664 4.340 -0.147 0.000 0.276 487 Q C -2.675 173.510 176.000 0.307 0.000 1.048 487 Q CA -2.345 53.568 55.803 0.183 0.000 0.832 487 Q CB 3.152 31.931 28.738 0.069 0.000 1.373 487 Q HN 0.480 nan 8.270 nan 0.000 0.409 488 P HA 0.144 nan 4.420 nan 0.000 0.276 488 P C -0.900 176.612 177.300 0.352 0.000 1.235 488 P CA -0.088 63.127 63.100 0.192 0.000 0.772 488 P CB 0.879 32.600 31.700 0.035 0.000 0.871 489 R N 2.159 122.897 120.500 0.397 0.000 2.670 489 R HA 0.391 4.643 4.340 -0.147 0.000 0.289 489 R C -0.190 176.349 176.300 0.398 0.000 0.965 489 R CA -1.428 54.926 56.100 0.424 0.000 0.899 489 R CB 1.682 32.108 30.300 0.210 0.000 1.173 489 R HN 0.390 nan 8.270 nan 0.000 0.456 490 L N 2.293 123.755 121.223 0.399 0.000 2.559 490 L HA 0.014 4.266 4.340 -0.147 0.000 0.282 490 L C -0.262 176.511 176.870 -0.162 0.000 1.232 490 L CA 1.331 56.167 54.840 -0.006 0.000 0.885 490 L CB -0.193 41.926 42.059 0.100 0.000 1.131 490 L HN 0.747 nan 8.230 nan 0.000 0.498 491 N N 1.136 119.561 118.700 -0.458 0.000 2.927 491 N HA 0.498 5.150 4.740 -0.147 0.000 0.248 491 N C -1.892 173.160 175.510 -0.764 0.000 1.443 491 N CA -0.759 51.939 53.050 -0.587 0.000 0.870 491 N CB 0.955 38.979 38.487 -0.772 0.000 1.444 491 N HN 0.838 nan 8.380 nan 0.000 0.519 492 H N -0.582 118.150 119.070 -0.563 0.000 2.985 492 H HA 0.328 4.795 4.556 -0.147 0.000 0.360 492 H C -1.438 173.948 175.328 0.096 0.000 1.221 492 H CA -0.682 55.236 56.048 -0.218 0.000 1.121 492 H CB 0.929 30.671 29.762 -0.033 0.000 1.854 492 H HN 0.482 nan 8.280 nan 0.000 0.551 493 Q N 1.095 121.055 119.800 0.267 0.000 2.299 493 Q HA 0.306 4.558 4.340 -0.147 0.000 0.246 493 Q C -2.324 173.792 176.000 0.193 0.000 0.935 493 Q CA -1.676 54.247 55.803 0.199 0.000 0.887 493 Q CB 0.961 29.821 28.738 0.204 0.000 1.223 493 Q HN 0.398 nan 8.270 nan 0.000 0.439 494 P HA -0.038 nan 4.420 nan 0.000 0.267 494 P C -1.258 176.115 177.300 0.122 0.000 1.200 494 P CA 0.340 63.417 63.100 -0.039 0.000 0.772 494 P CB 0.290 31.919 31.700 -0.119 0.000 0.855 495 F N -0.509 119.442 119.950 0.001 0.000 2.613 495 F HA 0.605 5.044 4.527 -0.147 0.000 0.310 495 F C -0.744 175.053 175.800 -0.005 0.000 1.085 495 F CA -1.131 56.876 58.000 0.011 0.000 0.945 495 F CB 1.278 40.304 39.000 0.043 0.000 1.298 495 F HN 0.035 nan 8.300 nan 0.000 0.455 496 N N 1.957 120.781 118.700 0.207 0.000 2.430 496 N HA 0.589 5.241 4.740 -0.147 0.000 0.298 496 N C -1.280 174.374 175.510 0.240 0.000 1.130 496 N CA -0.453 52.678 53.050 0.135 0.000 0.894 496 N CB 2.567 41.097 38.487 0.072 0.000 1.209 496 N HN 0.666 nan 8.380 nan 0.000 0.503 497 I N 2.015 122.727 120.570 0.238 0.000 2.411 497 I HA 0.213 4.295 4.170 -0.147 0.000 0.284 497 I C -0.733 175.483 176.117 0.165 0.000 1.012 497 I CA -0.686 60.764 61.300 0.250 0.000 1.119 497 I CB 1.081 39.319 38.000 0.396 0.000 1.261 497 I HN 0.209 nan 8.210 nan 0.000 0.448 498 N N 7.366 126.129 118.700 0.105 0.000 2.414 498 N HA 0.491 5.143 4.740 -0.147 0.000 0.256 498 N C -0.773 174.759 175.510 0.037 0.000 1.029 498 N CA -0.200 52.887 53.050 0.061 0.000 0.948 498 N CB 1.237 39.745 38.487 0.035 0.000 1.102 498 N HN 0.427 nan 8.380 nan 0.000 0.496 499 I N 0.840 121.430 120.570 0.033 0.000 2.354 499 I HA 0.226 4.308 4.170 -0.147 0.000 0.292 499 I C -0.255 175.838 176.117 -0.040 0.000 0.989 499 I CA -0.665 60.632 61.300 -0.004 0.000 1.188 499 I CB 1.295 39.317 38.000 0.036 0.000 1.342 499 I HN 0.367 nan 8.210 nan 0.000 0.457 500 D N 8.242 128.589 120.400 -0.088 0.000 2.303 500 D HA 0.513 5.065 4.640 -0.147 0.000 0.236 500 D C -0.913 175.342 176.300 -0.074 0.000 1.068 500 D CA -0.226 53.729 54.000 -0.076 0.000 0.830 500 D CB 1.294 42.036 40.800 -0.095 0.000 1.109 500 D HN 0.345 nan 8.370 nan 0.000 0.496 501 I N 2.666 123.209 120.570 -0.045 0.000 2.498 501 I HA 0.223 4.305 4.170 -0.147 0.000 0.290 501 I C -0.341 175.756 176.117 -0.032 0.000 1.032 501 I CA -1.009 60.267 61.300 -0.040 0.000 1.073 501 I CB 2.226 40.202 38.000 -0.039 0.000 1.251 501 I HN 0.074 nan 8.210 nan 0.000 0.426 502 K N 5.429 125.809 120.400 -0.034 0.000 2.367 502 K HA 0.762 4.994 4.320 -0.147 0.000 0.263 502 K C -1.074 175.494 176.600 -0.054 0.000 1.000 502 K CA -0.221 56.048 56.287 -0.030 0.000 0.891 502 K CB 1.382 33.873 32.500 -0.014 0.000 1.117 502 K HN 0.675 nan 8.250 nan 0.000 0.443 503 A N 3.261 126.044 122.820 -0.062 0.000 2.337 503 A HA 0.480 4.712 4.320 -0.147 0.000 0.331 503 A C -0.285 177.260 177.584 -0.065 0.000 1.137 503 A CA -0.625 51.355 52.037 -0.096 0.000 0.807 503 A CB 0.864 19.795 19.000 -0.116 0.000 1.250 503 A HN 0.772 nan 8.150 nan 0.000 0.468 504 D N -0.581 119.774 120.400 -0.074 0.000 2.269 504 D HA 0.153 4.705 4.640 -0.147 0.000 0.220 504 D C 0.988 177.265 176.300 -0.037 0.000 0.962 504 D CA 1.904 55.877 54.000 -0.045 0.000 0.884 504 D CB 0.158 40.935 40.800 -0.039 0.000 1.023 504 D HN 0.543 nan 8.370 nan 0.000 0.484 505 V N -2.191 117.693 119.914 -0.050 0.000 3.113 505 V HA 0.878 4.910 4.120 -0.147 0.000 0.316 505 V C -0.608 175.467 176.094 -0.032 0.000 1.125 505 V CA -1.423 60.859 62.300 -0.029 0.000 1.026 505 V CB 1.595 33.408 31.823 -0.016 0.000 1.080 505 V HN 0.019 nan 8.190 nan 0.000 0.444 506 A N 1.631 124.446 122.820 -0.009 0.000 2.301 506 A HA 0.882 5.114 4.320 -0.147 0.000 0.298 506 A C 0.303 177.902 177.584 0.025 0.000 1.185 506 A CA 0.313 52.350 52.037 0.001 0.000 0.830 506 A CB 0.114 19.118 19.000 0.005 0.000 1.112 506 A HN 1.803 nan 8.150 nan 0.000 0.508 507 T N -0.613 113.968 114.554 0.044 0.000 2.821 507 T HA 0.472 4.734 4.350 -0.147 0.000 0.306 507 T C -1.431 173.350 174.700 0.134 0.000 1.313 507 T CA -0.967 61.198 62.100 0.108 0.000 1.012 507 T CB 1.311 70.292 68.868 0.188 0.000 1.298 507 T HN 0.460 nan 8.240 nan 0.000 0.502 508 D N 1.115 121.619 120.400 0.173 0.000 2.312 508 D HA 0.569 5.121 4.640 -0.147 0.000 0.252 508 D C -0.189 176.255 176.300 0.239 0.000 1.150 508 D CA 0.010 54.122 54.000 0.187 0.000 0.870 508 D CB 1.569 42.546 40.800 0.294 0.000 1.153 508 D HN 0.888 nan 8.370 nan 0.000 0.457 509 A N 2.155 125.073 122.820 0.163 0.000 2.423 509 A HA 0.638 4.870 4.320 -0.147 0.000 0.304 509 A C -0.596 176.943 177.584 -0.075 0.000 1.104 509 A CA -0.689 51.430 52.037 0.138 0.000 0.757 509 A CB 1.514 20.683 19.000 0.281 0.000 1.313 509 A HN 0.329 nan 8.150 nan 0.000 0.423 510 V N 0.905 120.638 119.914 -0.301 0.000 2.483 510 V HA 0.636 4.668 4.120 -0.147 0.000 0.295 510 V C -0.291 175.534 176.094 -0.448 0.000 1.035 510 V CA -0.531 61.500 62.300 -0.449 0.000 0.896 510 V CB 1.348 32.653 31.823 -0.864 0.000 0.986 510 V HN 0.996 nan 8.190 nan 0.000 0.447 511 V N 5.355 125.005 119.914 -0.440 0.000 2.531 511 V HA 0.658 4.690 4.120 -0.147 0.000 0.301 511 V C -0.624 175.294 176.094 -0.294 0.000 1.034 511 V CA -0.469 61.581 62.300 -0.417 0.000 0.865 511 V CB 1.706 33.140 31.823 -0.649 0.000 0.995 511 V HN 0.942 nan 8.190 nan 0.000 0.424 512 K N 6.602 126.998 120.400 -0.005 0.000 2.259 512 K HA 0.698 4.930 4.320 -0.147 0.000 0.249 512 K C -1.292 175.359 176.600 0.086 0.000 0.942 512 K CA -0.719 55.584 56.287 0.026 0.000 0.816 512 K CB 2.675 35.236 32.500 0.102 0.000 1.155 512 K HN 0.664 nan 8.250 nan 0.000 0.428 513 I N 2.877 123.387 120.570 -0.100 0.000 2.436 513 I HA 0.398 4.480 4.170 -0.147 0.000 0.289 513 I C -1.019 174.955 176.117 -0.239 0.000 1.010 513 I CA -0.730 60.555 61.300 -0.024 0.000 1.098 513 I CB 0.881 38.850 38.000 -0.050 0.000 1.266 513 I HN 0.382 nan 8.210 nan 0.000 0.434 514 F N 5.341 125.305 119.950 0.024 0.000 2.579 514 F HA 0.606 5.045 4.527 -0.147 0.000 0.324 514 F C 0.033 175.758 175.800 -0.124 0.000 1.058 514 F CA -0.784 57.234 58.000 0.031 0.000 0.944 514 F CB 2.089 41.242 39.000 0.256 0.000 1.245 514 F HN 0.298 nan 8.300 nan 0.000 0.477 515 M N 1.704 121.353 119.600 0.082 0.000 2.243 515 M HA 0.767 5.159 4.480 -0.147 0.000 0.324 515 M C -0.863 175.444 176.300 0.011 0.000 1.031 515 M CA -0.118 55.046 55.300 -0.226 0.000 0.949 515 M CB 1.522 33.887 32.600 -0.392 0.000 1.615 515 M HN 0.751 nan 8.290 nan 0.000 0.430 516 G N 4.018 112.711 108.800 -0.178 0.000 2.680 516 G HA2 0.777 4.649 3.960 -0.147 0.000 0.290 516 G HA3 0.777 4.649 3.960 -0.147 0.000 0.290 516 G C -3.338 171.376 174.900 -0.311 0.000 1.355 516 G CA -1.205 43.563 45.100 -0.552 0.000 0.903 516 G HN 0.472 nan 8.290 nan 0.000 0.474 517 P HA 0.246 nan 4.420 nan 0.000 0.276 517 P C -0.180 176.995 177.300 -0.208 0.000 1.244 517 P CA -0.253 62.747 63.100 -0.165 0.000 0.801 517 P CB 2.570 34.242 31.700 -0.047 0.000 1.006 518 K N 1.623 121.818 120.400 -0.342 0.000 2.141 518 K HA 0.096 4.328 4.320 -0.147 0.000 0.202 518 K C -0.009 176.205 176.600 -0.643 0.000 1.045 518 K CA 1.260 57.225 56.287 -0.537 0.000 0.971 518 K CB -0.249 31.770 32.500 -0.802 0.000 0.795 518 K HN 0.429 nan 8.250 nan 0.000 0.459 519 Y N 0.756 120.952 120.300 -0.173 0.000 2.562 519 Y HA 0.313 4.775 4.550 -0.147 0.000 0.343 519 Y C 0.210 176.087 175.900 -0.038 0.000 1.025 519 Y CA -1.663 56.370 58.100 -0.111 0.000 1.082 519 Y CB 0.772 39.120 38.460 -0.187 0.000 1.264 519 Y HN 0.088 nan 8.280 nan 0.000 0.478 520 N N -0.321 118.505 118.700 0.210 0.000 2.366 520 N HA 0.039 4.691 4.740 -0.147 0.000 0.277 520 N C 0.700 176.317 175.510 0.178 0.000 1.275 520 N CA -0.115 53.050 53.050 0.192 0.000 0.964 520 N CB 0.141 38.731 38.487 0.171 0.000 1.167 520 N HN 0.795 nan 8.380 nan 0.000 0.568 521 E N -1.225 119.086 120.200 0.186 0.000 2.209 521 E HA -0.235 4.026 4.350 -0.147 0.000 0.196 521 E C 0.108 176.770 176.600 0.103 0.000 0.993 521 E CA 1.171 57.657 56.400 0.143 0.000 0.819 521 E CB -0.461 29.328 29.700 0.148 0.000 0.745 521 E HN 0.498 nan 8.360 nan 0.000 0.477 522 N N 0.372 119.154 118.700 0.137 0.000 2.336 522 N HA 0.062 4.714 4.740 -0.147 0.000 0.189 522 N C 0.960 176.515 175.510 0.074 0.000 1.113 522 N CA 0.883 54.026 53.050 0.155 0.000 0.858 522 N CB 1.156 39.802 38.487 0.265 0.000 0.970 522 N HN 0.470 nan 8.380 nan 0.000 0.471 523 G N 0.224 109.012 108.800 -0.020 0.000 2.176 523 G HA2 -0.260 3.612 3.960 -0.147 0.000 0.253 523 G HA3 -0.260 3.612 3.960 -0.147 0.000 0.253 523 G C -0.119 174.517 174.900 -0.439 0.000 0.979 523 G CA -0.297 44.614 45.100 -0.315 0.000 0.641 523 G HN 0.249 nan 8.290 nan 0.000 0.530 524 F N 0.952 120.892 119.950 -0.016 0.000 2.403 524 F HA 0.572 5.011 4.527 -0.147 0.000 0.326 524 F C -1.669 174.251 175.800 0.201 0.000 1.081 524 F CA -2.434 55.599 58.000 0.054 0.000 1.041 524 F CB 1.040 40.051 39.000 0.018 0.000 1.234 524 F HN -0.211 nan 8.300 nan 0.000 0.503 525 P HA -0.078 nan 4.420 nan 0.000 0.261 525 P C -0.236 177.141 177.300 0.128 0.000 1.173 525 P CA 0.339 63.571 63.100 0.219 0.000 0.760 525 P CB 0.300 32.091 31.700 0.152 0.000 0.783 526 I N 3.208 123.802 120.570 0.040 0.000 2.938 526 I HA 0.058 4.140 4.170 -0.147 0.000 0.285 526 I C 0.739 176.880 176.117 0.040 0.000 1.182 526 I CA 1.322 62.649 61.300 0.044 0.000 1.388 526 I CB 0.422 38.429 38.000 0.013 0.000 1.390 526 I HN 0.210 nan 8.210 nan 0.000 0.600 527 T N 6.441 121.032 114.554 0.061 0.000 2.840 527 T HA 0.363 4.625 4.350 -0.147 0.000 0.287 527 T C 1.168 175.929 174.700 0.102 0.000 0.991 527 T CA -0.503 61.629 62.100 0.053 0.000 0.964 527 T CB 0.876 69.769 68.868 0.042 0.000 0.954 527 T HN 0.424 nan 8.240 nan 0.000 0.438 528 L N 2.446 123.725 121.223 0.095 0.000 2.127 528 L HA -0.133 4.119 4.340 -0.147 0.000 0.211 528 L C 2.219 179.231 176.870 0.237 0.000 1.089 528 L CA 1.487 56.427 54.840 0.167 0.000 0.757 528 L CB -0.228 41.888 42.059 0.094 0.000 0.899 528 L HN 0.657 nan 8.230 nan 0.000 0.434 529 E N 0.029 120.323 120.200 0.157 0.000 2.153 529 E HA -0.144 4.118 4.350 -0.147 0.000 0.194 529 E C 1.520 178.300 176.600 0.300 0.000 0.988 529 E CA 1.028 57.535 56.400 0.178 0.000 0.811 529 E CB -0.058 29.687 29.700 0.075 0.000 0.746 529 E HN 0.472 nan 8.360 nan 0.000 0.466 530 N N -0.117 118.707 118.700 0.207 0.000 2.197 530 N HA 0.017 4.669 4.740 -0.147 0.000 0.201 530 N C -0.119 175.396 175.510 0.008 0.000 1.148 530 N CA 0.320 53.451 53.050 0.135 0.000 0.883 530 N CB 0.815 39.339 38.487 0.062 0.000 1.012 530 N HN 0.040 nan 8.380 nan 0.000 0.507 531 D N -0.142 120.298 120.400 0.067 0.000 2.535 531 D HA 0.057 4.609 4.640 -0.147 0.000 0.229 531 D C 1.542 177.897 176.300 0.091 0.000 1.238 531 D CA -0.343 53.656 54.000 -0.002 0.000 0.824 531 D CB -0.149 40.699 40.800 0.079 0.000 1.045 531 D HN 0.365 nan 8.370 nan 0.000 0.500 532 W N 1.306 122.711 121.300 0.175 0.000 2.392 532 W HA -0.115 4.458 4.660 -0.146 0.000 0.279 532 W C 1.208 177.862 176.519 0.224 0.000 1.225 532 W CA 0.482 57.937 57.345 0.183 0.000 1.233 532 W CB -0.864 28.688 29.460 0.153 0.000 1.122 532 W HN -0.030 nan 8.180 nan 0.000 0.561 533 M N 1.132 120.308 119.600 -0.707 0.000 2.618 533 M HA 0.187 4.578 4.480 -0.147 0.000 0.240 533 M C 0.472 176.652 176.300 -0.200 0.000 1.123 533 M CA 1.062 56.036 55.300 -0.544 0.000 1.060 533 M CB -1.026 30.984 32.600 -0.983 0.000 1.535 533 M HN -0.042 nan 8.290 nan 0.000 0.507 534 K N 0.674 121.016 120.400 -0.096 0.000 2.570 534 K HA 0.283 4.515 4.320 -0.147 0.000 0.210 534 K C -1.061 175.436 176.600 -0.172 0.000 1.048 534 K CA -0.183 56.043 56.287 -0.102 0.000 1.167 534 K CB 0.084 32.549 32.500 -0.060 0.000 0.892 534 K HN 0.148 nan 8.250 nan 0.000 0.480 535 F N 0.714 120.633 119.950 -0.052 0.000 2.388 535 F HA 0.242 4.681 4.527 -0.146 0.000 0.358 535 F C 0.038 176.008 175.800 0.282 0.000 1.122 535 F CA -1.372 56.636 58.000 0.013 0.000 1.056 535 F CB 0.577 39.218 39.000 -0.598 0.000 1.155 535 F HN -0.059 nan 8.300 nan 0.000 0.461 536 F N 4.224 124.319 119.950 0.242 0.000 2.413 536 F HA 0.217 4.656 4.527 -0.146 0.000 0.359 536 F C 0.583 176.496 175.800 0.188 0.000 1.122 536 F CA -0.805 57.276 58.000 0.135 0.000 1.160 536 F CB 0.248 39.291 39.000 0.072 0.000 1.146 536 F HN 0.491 nan 8.300 nan 0.000 0.514 537 E N 5.964 125.987 120.200 -0.296 0.000 2.324 537 E HA 0.069 4.331 4.350 -0.147 0.000 0.271 537 E C 0.275 176.410 176.600 -0.775 0.000 1.028 537 E CA 0.026 56.036 56.400 -0.651 0.000 0.890 537 E CB 0.693 30.119 29.700 -0.457 0.000 1.004 537 E HN 0.863 nan 8.360 nan 0.000 0.431 538 M N 2.333 121.568 119.600 -0.609 0.000 2.470 538 M HA 0.223 4.615 4.480 -0.147 0.000 0.262 538 M C -0.131 175.908 176.300 -0.435 0.000 1.211 538 M CA -0.092 54.975 55.300 -0.388 0.000 1.125 538 M CB 0.769 33.201 32.600 -0.279 0.000 1.480 538 M HN 0.350 nan 8.290 nan 0.000 0.541 539 D N -1.157 118.988 120.400 -0.425 0.000 2.602 539 D HA 0.383 4.935 4.640 -0.147 0.000 0.236 539 D C -2.211 174.145 176.300 0.095 0.000 1.209 539 D CA -0.026 53.891 54.000 -0.138 0.000 0.831 539 D CB 2.693 43.410 40.800 -0.139 0.000 1.478 539 D HN 0.017 nan 8.370 nan 0.000 0.438 540 W N 5.124 126.480 121.300 0.094 0.000 3.268 540 W HA 0.473 5.044 4.660 -0.147 0.000 0.330 540 W C -2.195 174.489 176.519 0.276 0.000 1.074 540 W CA -1.357 56.052 57.345 0.107 0.000 1.263 540 W CB 0.209 29.710 29.460 0.068 0.000 1.250 540 W HN 0.294 nan 8.180 nan 0.000 0.425 541 F N 2.175 122.344 119.950 0.365 0.000 2.678 541 F HA 0.695 5.134 4.527 -0.147 0.000 0.308 541 F C -0.345 175.510 175.800 0.091 0.000 1.118 541 F CA -1.068 57.026 58.000 0.157 0.000 0.959 541 F CB 0.702 39.774 39.000 0.120 0.000 1.305 541 F HN 0.143 nan 8.300 nan 0.000 0.443 542 T N -0.665 113.933 114.554 0.073 0.000 2.909 542 T HA 0.595 4.857 4.350 -0.147 0.000 0.289 542 T C -1.248 173.513 174.700 0.101 0.000 1.005 542 T CA -0.174 61.847 62.100 -0.131 0.000 1.084 542 T CB 1.116 69.711 68.868 -0.454 0.000 0.975 542 T HN 1.068 nan 8.240 nan 0.000 0.509 543 H N 0.042 119.069 119.070 -0.072 0.000 3.026 543 H HA 0.376 4.844 4.556 -0.147 0.000 0.352 543 H C -1.109 174.223 175.328 0.008 0.000 1.090 543 H CA -0.706 55.361 56.048 0.031 0.000 1.268 543 H CB 1.398 31.220 29.762 0.100 0.000 1.816 543 H HN 0.671 nan 8.280 nan 0.000 0.518 544 K N 5.214 125.409 120.400 -0.341 0.000 2.312 544 K HA 0.299 4.531 4.320 -0.147 0.000 0.287 544 K C -0.295 176.252 176.600 -0.089 0.000 1.062 544 K CA -0.207 55.985 56.287 -0.159 0.000 0.934 544 K CB 0.856 33.263 32.500 -0.154 0.000 1.027 544 K HN 0.423 nan 8.250 nan 0.000 0.478 545 I N 3.186 123.777 120.570 0.035 0.000 2.331 545 I HA 0.067 4.149 4.170 -0.147 0.000 0.292 545 I C 0.781 176.907 176.117 0.015 0.000 0.998 545 I CA -0.504 60.832 61.300 0.060 0.000 1.267 545 I CB 1.383 39.399 38.000 0.028 0.000 1.386 545 I HN 0.637 nan 8.210 nan 0.000 0.476 546 T N 3.740 118.306 114.554 0.020 0.000 2.907 546 T HA 0.469 4.731 4.350 -0.147 0.000 0.284 546 T C -2.575 172.124 174.700 -0.002 0.000 1.004 546 T CA -2.279 59.825 62.100 0.006 0.000 1.063 546 T CB 1.451 70.326 68.868 0.011 0.000 0.992 546 T HN 0.178 nan 8.240 nan 0.000 0.483 547 P HA 0.394 nan 4.420 nan 0.000 0.266 547 P C 0.995 178.290 177.300 -0.009 0.000 1.195 547 P CA 1.368 64.459 63.100 -0.014 0.000 0.768 547 P CB 0.150 31.845 31.700 -0.010 0.000 0.838 548 G N 1.775 110.567 108.800 -0.014 0.000 2.513 548 G HA2 -0.167 3.705 3.960 -0.147 0.000 0.227 548 G HA3 -0.167 3.705 3.960 -0.147 0.000 0.227 548 G C -0.720 174.175 174.900 -0.007 0.000 1.176 548 G CA -0.446 44.650 45.100 -0.008 0.000 0.967 548 G HN 0.658 nan 8.290 nan 0.000 0.587 549 Q N 1.269 121.068 119.800 -0.000 0.000 2.267 549 Q HA 0.651 4.903 4.340 -0.147 0.000 0.255 549 Q C -0.420 175.587 176.000 0.012 0.000 0.923 549 Q CA -0.101 55.703 55.803 0.002 0.000 0.925 549 Q CB 0.712 29.452 28.738 0.003 0.000 1.195 549 Q HN 0.610 nan 8.270 nan 0.000 0.417 550 N N 1.501 120.208 118.700 0.012 0.000 2.238 550 N HA 0.605 5.257 4.740 -0.147 0.000 0.302 550 N C -1.663 173.856 175.510 0.016 0.000 1.072 550 N CA -0.640 52.431 53.050 0.034 0.000 0.792 550 N CB 2.354 40.871 38.487 0.050 0.000 1.425 550 N HN 0.416 nan 8.380 nan 0.000 0.478 551 T N 1.537 116.107 114.554 0.027 0.000 2.985 551 T HA 0.475 4.737 4.350 -0.147 0.000 0.315 551 T C -0.347 174.355 174.700 0.005 0.000 1.001 551 T CA -0.367 61.738 62.100 0.008 0.000 1.016 551 T CB 0.167 69.043 68.868 0.013 0.000 0.993 551 T HN 0.264 nan 8.240 nan 0.000 0.454 552 I N 2.456 123.009 120.570 -0.028 0.000 2.437 552 I HA 0.593 4.675 4.170 -0.147 0.000 0.298 552 I C -0.364 175.764 176.117 0.019 0.000 0.984 552 I CA -1.171 60.104 61.300 -0.041 0.000 1.214 552 I CB 1.881 39.816 38.000 -0.110 0.000 1.365 552 I HN 0.228 nan 8.210 nan 0.000 0.469 553 V N 5.966 125.892 119.914 0.021 0.000 2.398 553 V HA 0.379 4.411 4.120 -0.147 0.000 0.282 553 V C -0.184 175.918 176.094 0.014 0.000 1.014 553 V CA -0.691 61.628 62.300 0.032 0.000 0.838 553 V CB 1.240 33.074 31.823 0.020 0.000 1.018 553 V HN 0.576 nan 8.190 nan 0.000 0.432 554 R N 3.674 124.212 120.500 0.064 0.000 2.265 554 R HA 0.389 4.641 4.340 -0.147 0.000 0.319 554 R C -0.206 176.117 176.300 0.039 0.000 1.006 554 R CA -0.219 55.910 56.100 0.048 0.000 0.880 554 R CB 1.452 31.869 30.300 0.194 0.000 1.077 554 R HN 0.734 nan 8.270 nan 0.000 0.454 555 N N 0.578 119.207 118.700 -0.118 0.000 2.473 555 N HA -0.015 4.637 4.740 -0.147 0.000 0.291 555 N C 0.871 175.964 175.510 -0.695 0.000 1.083 555 N CA 0.030 52.908 53.050 -0.287 0.000 0.951 555 N CB 1.276 39.636 38.487 -0.212 0.000 1.164 555 N HN 0.522 nan 8.380 nan 0.000 0.480 556 S N 2.977 117.963 115.700 -1.190 0.000 2.402 556 S HA -0.239 4.143 4.470 -0.147 0.000 0.233 556 S C 1.410 175.352 174.600 -1.096 0.000 1.030 556 S CA 1.389 58.380 58.200 -2.014 0.000 1.003 556 S CB -0.372 61.665 63.200 -1.938 0.000 0.813 556 S HN 0.762 nan 8.310 nan 0.000 0.477 557 N N 1.313 119.672 118.700 -0.568 0.000 2.520 557 N HA -0.028 4.624 4.740 -0.147 0.000 0.185 557 N C 1.313 176.742 175.510 -0.135 0.000 1.068 557 N CA 0.799 53.700 53.050 -0.248 0.000 0.911 557 N CB -0.154 38.251 38.487 -0.136 0.000 0.961 557 N HN 0.432 nan 8.380 nan 0.000 0.446 558 E N -0.990 119.087 120.200 -0.204 0.000 2.452 558 E HA 0.145 4.407 4.350 -0.147 0.000 0.197 558 E C -0.548 176.146 176.600 0.156 0.000 1.022 558 E CA -0.147 56.230 56.400 -0.038 0.000 0.890 558 E CB -0.001 29.646 29.700 -0.089 0.000 0.918 558 E HN 0.169 nan 8.360 nan 0.000 0.496 559 F N 1.371 121.365 119.950 0.073 0.000 2.569 559 F HA -0.093 4.346 4.527 -0.147 0.000 0.395 559 F C 1.890 177.770 175.800 0.133 0.000 1.028 559 F CA -0.493 57.596 58.000 0.149 0.000 1.158 559 F CB -0.281 38.908 39.000 0.315 0.000 1.023 559 F HN -0.134 nan 8.300 nan 0.000 0.547 560 V N 2.635 122.694 119.914 0.242 0.000 2.594 560 V HA -0.251 3.781 4.120 -0.147 0.000 0.253 560 V C 2.002 178.019 176.094 -0.128 0.000 1.069 560 V CA 1.262 63.647 62.300 0.141 0.000 1.082 560 V CB -0.705 31.210 31.823 0.154 0.000 0.680 560 V HN 0.643 nan 8.190 nan 0.000 0.469 561 I N -0.294 119.965 120.570 -0.518 0.000 2.454 561 I HA 0.037 4.119 4.170 -0.147 0.000 0.254 561 I C 1.154 176.651 176.117 -1.033 0.000 1.156 561 I CA 0.995 61.558 61.300 -1.228 0.000 1.433 561 I CB -1.174 35.889 38.000 -1.561 0.000 1.082 561 I HN 0.318 nan 8.210 nan 0.000 0.432 562 F N 1.294 121.285 119.950 0.068 0.000 2.497 562 F HA 0.478 4.917 4.527 -0.147 0.000 0.331 562 F C 0.683 176.681 175.800 0.329 0.000 1.060 562 F CA -1.002 57.121 58.000 0.205 0.000 0.989 562 F CB 0.852 39.954 39.000 0.170 0.000 1.245 562 F HN -0.171 nan 8.300 nan 0.000 0.486 563 K N -0.534 120.148 120.400 0.470 0.000 2.352 563 K HA 0.552 4.784 4.320 -0.147 0.000 0.240 563 K C -0.975 175.780 176.600 0.258 0.000 1.017 563 K CA -1.015 55.462 56.287 0.316 0.000 0.851 563 K CB 1.546 34.176 32.500 0.216 0.000 1.261 563 K HN 0.328 nan 8.250 nan 0.000 0.451 564 E N 1.219 121.545 120.200 0.211 0.000 2.345 564 E HA 0.108 4.370 4.350 -0.147 0.000 0.259 564 E C -0.544 176.177 176.600 0.201 0.000 1.117 564 E CA -0.297 56.227 56.400 0.208 0.000 0.913 564 E CB 0.558 30.377 29.700 0.199 0.000 1.057 564 E HN 0.507 nan 8.360 nan 0.000 0.432 565 D N 0.472 121.002 120.400 0.217 0.000 2.399 565 D HA 0.060 4.612 4.640 -0.147 0.000 0.241 565 D C 0.046 176.512 176.300 0.277 0.000 1.133 565 D CA 0.237 54.386 54.000 0.250 0.000 0.890 565 D CB 0.676 41.675 40.800 0.333 0.000 1.201 565 D HN 0.101 nan 8.370 nan 0.000 0.432 566 S N 0.290 116.179 115.700 0.315 0.000 2.589 566 S HA 0.275 4.657 4.470 -0.147 0.000 0.265 566 S C 0.385 175.138 174.600 0.254 0.000 1.342 566 S CA -0.505 57.842 58.200 0.245 0.000 1.005 566 S CB 0.499 63.825 63.200 0.211 0.000 0.909 566 S HN 0.211 nan 8.310 nan 0.000 0.555 567 L N 2.883 124.192 121.223 0.144 0.000 2.334 567 L HA 0.487 4.739 4.340 -0.147 0.000 0.273 567 L C -2.035 174.878 176.870 0.072 0.000 1.013 567 L CA -2.301 52.603 54.840 0.108 0.000 0.816 567 L CB 1.409 43.504 42.059 0.059 0.000 1.278 567 L HN 0.413 nan 8.230 nan 0.000 0.431 568 P HA 0.091 nan 4.420 nan 0.000 0.272 568 P C 0.244 177.536 177.300 -0.013 0.000 1.230 568 P CA -0.242 62.892 63.100 0.056 0.000 0.788 568 P CB 1.010 32.756 31.700 0.077 0.000 0.949 569 S N 0.877 116.548 115.700 -0.047 0.000 2.387 569 S HA -0.166 4.216 4.470 -0.147 0.000 0.230 569 S C 1.891 176.430 174.600 -0.101 0.000 1.035 569 S CA 2.259 60.382 58.200 -0.130 0.000 1.014 569 S CB -1.128 62.012 63.200 -0.099 0.000 0.836 569 S HN 0.791 nan 8.310 nan 0.000 0.466 570 T N 0.331 114.847 114.554 -0.064 0.000 2.833 570 T HA -0.045 4.217 4.350 -0.147 0.000 0.269 570 T C 1.476 176.219 174.700 0.071 0.000 1.054 570 T CA 1.014 63.123 62.100 0.014 0.000 1.135 570 T CB -0.250 68.578 68.868 -0.066 0.000 0.869 570 T HN 0.191 nan 8.240 nan 0.000 0.466 571 E N 0.860 121.075 120.200 0.024 0.000 2.216 571 E HA 0.123 4.385 4.350 -0.147 0.000 0.192 571 E C 2.066 178.675 176.600 0.016 0.000 0.988 571 E CA 0.285 56.702 56.400 0.029 0.000 0.834 571 E CB -0.407 29.305 29.700 0.021 0.000 0.772 571 E HN 0.377 nan 8.360 nan 0.000 0.479 572 L N -0.084 121.114 121.223 -0.043 0.000 2.056 572 L HA -0.157 4.095 4.340 -0.147 0.000 0.207 572 L C 2.046 178.878 176.870 -0.063 0.000 1.078 572 L CA 1.393 56.174 54.840 -0.100 0.000 0.749 572 L CB -0.789 41.129 42.059 -0.235 0.000 0.901 572 L HN 0.126 nan 8.230 nan 0.000 0.433 573 Y N 0.031 120.333 120.300 0.003 0.000 2.181 573 Y HA -0.227 4.234 4.550 -0.147 0.000 0.288 573 Y C 2.437 178.347 175.900 0.017 0.000 1.146 573 Y CA 1.272 59.380 58.100 0.013 0.000 1.164 573 Y CB -0.510 37.955 38.460 0.007 0.000 0.982 573 Y HN 0.148 nan 8.280 nan 0.000 0.515 574 K N -0.592 119.913 120.400 0.176 0.000 2.057 574 K HA -0.188 4.044 4.320 -0.147 0.000 0.207 574 K C 1.950 178.595 176.600 0.075 0.000 1.049 574 K CA 1.456 57.804 56.287 0.102 0.000 0.931 574 K CB -0.561 31.982 32.500 0.072 0.000 0.714 574 K HN 0.147 nan 8.250 nan 0.000 0.440 575 L N 1.258 122.518 121.223 0.061 0.000 2.201 575 L HA -0.083 4.169 4.340 -0.147 0.000 0.212 575 L C 1.863 178.762 176.870 0.049 0.000 1.105 575 L CA 1.254 56.119 54.840 0.041 0.000 0.775 575 L CB -0.179 41.896 42.059 0.026 0.000 0.913 575 L HN 0.167 nan 8.230 nan 0.000 0.440 576 L N -1.328 119.940 121.223 0.074 0.000 2.201 576 L HA -0.168 4.084 4.340 -0.147 0.000 0.212 576 L C 2.283 179.203 176.870 0.083 0.000 1.105 576 L CA 0.618 55.513 54.840 0.092 0.000 0.775 576 L CB -0.211 41.926 42.059 0.131 0.000 0.913 576 L HN 0.218 nan 8.230 nan 0.000 0.440 577 E N 0.527 120.775 120.200 0.080 0.000 2.204 577 E HA -0.179 4.083 4.350 -0.147 0.000 0.195 577 E C 1.429 178.052 176.600 0.040 0.000 0.990 577 E CA 1.091 57.527 56.400 0.060 0.000 0.821 577 E CB 0.110 29.843 29.700 0.055 0.000 0.750 577 E HN 0.317 nan 8.360 nan 0.000 0.477 578 K N -1.194 119.226 120.400 0.034 0.000 2.397 578 K HA 0.252 4.484 4.320 -0.147 0.000 0.202 578 K C 0.441 177.047 176.600 0.011 0.000 1.022 578 K CA 0.418 56.716 56.287 0.018 0.000 1.141 578 K CB 0.831 33.339 32.500 0.013 0.000 0.857 578 K HN 0.128 nan 8.250 nan 0.000 0.514 579 G N 2.462 111.274 108.800 0.020 0.000 2.298 579 G HA2 -0.294 3.578 3.960 -0.147 0.000 0.287 579 G HA3 -0.294 3.578 3.960 -0.147 0.000 0.287 579 G C -0.551 174.335 174.900 -0.023 0.000 1.075 579 G CA 0.365 45.469 45.100 0.006 0.000 0.960 579 G HN 0.284 nan 8.290 nan 0.000 0.502 580 K N -1.454 118.940 120.400 -0.010 0.000 2.512 580 K HA 0.786 5.018 4.320 -0.147 0.000 0.263 580 K C -0.259 176.333 176.600 -0.013 0.000 0.966 580 K CA -0.612 55.657 56.287 -0.030 0.000 0.851 580 K CB 3.203 35.694 32.500 -0.014 0.000 1.395 580 K HN 0.802 nan 8.250 nan 0.000 0.440 581 V N -1.838 118.057 119.914 -0.032 0.000 3.087 581 V HA 0.541 4.573 4.120 -0.147 0.000 0.306 581 V C -2.986 173.109 176.094 0.002 0.000 1.187 581 V CA -2.792 59.504 62.300 -0.006 0.000 0.999 581 V CB 1.748 33.573 31.823 0.003 0.000 1.049 581 V HN 0.503 nan 8.190 nan 0.000 0.431 582 P HA 0.180 nan 4.420 nan 0.000 0.264 582 P C 0.185 177.513 177.300 0.046 0.000 1.193 582 P CA 0.215 63.340 63.100 0.041 0.000 0.763 582 P CB 0.278 31.998 31.700 0.033 0.000 0.810 583 F N 3.660 123.578 119.950 -0.053 0.000 2.075 583 F HA -0.221 4.218 4.527 -0.147 0.000 0.297 583 F C 1.727 177.481 175.800 -0.077 0.000 1.113 583 F CA 1.920 59.880 58.000 -0.067 0.000 1.218 583 F CB -0.193 38.774 39.000 -0.055 0.000 0.984 583 F HN 0.263 nan 8.300 nan 0.000 0.472 584 D N -0.065 120.373 120.400 0.065 0.000 2.117 584 D HA -0.191 4.361 4.640 -0.147 0.000 0.198 584 D C 2.407 178.612 176.300 -0.158 0.000 0.982 584 D CA 1.354 55.311 54.000 -0.072 0.000 0.828 584 D CB -0.392 40.446 40.800 0.063 0.000 0.967 584 D HN 0.331 nan 8.370 nan 0.000 0.464 585 M N 0.047 119.605 119.600 -0.070 0.000 2.358 585 M HA -0.137 4.255 4.480 -0.147 0.000 0.264 585 M C 2.119 178.367 176.300 -0.087 0.000 1.064 585 M CA 0.792 56.056 55.300 -0.060 0.000 1.093 585 M CB 0.125 32.713 32.600 -0.020 0.000 1.401 585 M HN -0.094 nan 8.290 nan 0.000 0.440 586 S N -0.075 115.530 115.700 -0.159 0.000 2.427 586 S HA -0.021 4.361 4.470 -0.147 0.000 0.224 586 S C 1.397 175.843 174.600 -0.257 0.000 1.047 586 S CA 0.705 58.795 58.200 -0.182 0.000 0.953 586 S CB 0.140 63.212 63.200 -0.215 0.000 0.824 586 S HN 0.532 nan 8.310 nan 0.000 0.502 587 E N -0.365 119.563 120.200 -0.454 0.000 2.490 587 E HA 0.156 4.418 4.350 -0.147 0.000 0.209 587 E C -0.458 175.779 176.600 -0.605 0.000 0.971 587 E CA 0.114 56.212 56.400 -0.502 0.000 0.988 587 E CB 0.455 29.770 29.700 -0.643 0.000 1.029 587 E HN 0.335 nan 8.360 nan 0.000 0.496 588 D N 0.419 120.403 120.400 -0.693 0.000 2.819 588 D HA 0.063 4.615 4.640 -0.147 0.000 0.326 588 D C 0.765 176.585 176.300 -0.799 0.000 1.408 588 D CA -0.273 53.062 54.000 -1.108 0.000 0.811 588 D CB -0.119 39.867 40.800 -1.356 0.000 1.148 588 D HN 0.122 nan 8.370 nan 0.000 0.457 589 F N 0.191 119.846 119.950 -0.492 0.000 2.250 589 F HA 0.050 4.489 4.527 -0.147 0.000 0.301 589 F C 1.922 177.399 175.800 -0.538 0.000 1.077 589 F CA 0.988 58.640 58.000 -0.580 0.000 1.348 589 F CB -0.995 37.538 39.000 -0.777 0.000 1.040 589 F HN 0.003 nan 8.300 nan 0.000 0.509 590 G N -0.887 107.504 108.800 -0.682 0.000 2.712 590 G HA2 -0.020 3.852 3.960 -0.147 0.000 0.212 590 G HA3 -0.020 3.852 3.960 -0.147 0.000 0.212 590 G C 0.416 175.629 174.900 0.521 0.000 1.142 590 G CA -0.367 44.746 45.100 0.021 0.000 0.789 590 G HN 0.464 nan 8.290 nan 0.000 0.535 591 Y N -0.225 120.176 120.300 0.169 0.000 2.457 591 Y HA 0.146 4.608 4.550 -0.147 0.000 0.341 591 Y C 0.768 176.835 175.900 0.278 0.000 1.240 591 Y CA -1.320 56.940 58.100 0.266 0.000 1.437 591 Y CB 0.967 39.510 38.460 0.138 0.000 1.328 591 Y HN -0.117 nan 8.280 nan 0.000 0.588 592 L N 6.399 127.734 121.223 0.187 0.000 2.410 592 L HA 0.186 4.438 4.340 -0.147 0.000 0.273 592 L C -2.226 174.799 176.870 0.258 0.000 1.152 592 L CA -1.679 53.064 54.840 -0.162 0.000 0.855 592 L CB 0.640 42.498 42.059 -0.334 0.000 1.129 592 L HN 0.390 nan 8.230 nan 0.000 0.463 593 P HA 0.017 nan 4.420 nan 0.000 0.264 593 P C 0.012 177.449 177.300 0.228 0.000 1.193 593 P CA -0.090 63.148 63.100 0.230 0.000 0.763 593 P CB 0.213 32.003 31.700 0.150 0.000 0.810 594 K N 4.789 125.336 120.400 0.245 0.000 2.280 594 K HA -0.172 4.060 4.320 -0.147 0.000 0.202 594 K C 1.557 178.201 176.600 0.073 0.000 1.047 594 K CA 1.144 57.486 56.287 0.092 0.000 0.942 594 K CB -0.433 32.163 32.500 0.159 0.000 0.739 594 K HN 0.333 nan 8.250 nan 0.000 0.457 595 R N 1.003 121.544 120.500 0.069 0.000 2.328 595 R HA 0.004 4.256 4.340 -0.147 0.000 0.207 595 R C 1.324 177.664 176.300 0.066 0.000 1.056 595 R CA 0.957 57.081 56.100 0.039 0.000 1.016 595 R CB -0.271 30.006 30.300 -0.038 0.000 0.872 595 R HN 0.264 nan 8.270 nan 0.000 0.471 596 L N 0.862 122.103 121.223 0.030 0.000 2.766 596 L HA 0.282 4.534 4.340 -0.147 0.000 0.242 596 L C 1.968 178.804 176.870 -0.057 0.000 1.136 596 L CA -0.245 54.609 54.840 0.024 0.000 0.933 596 L CB 0.115 42.204 42.059 0.051 0.000 1.241 596 L HN 0.266 nan 8.230 nan 0.000 0.522 597 M N -0.772 118.678 119.600 -0.249 0.000 2.435 597 M HA -0.072 4.320 4.480 -0.147 0.000 0.262 597 M C -0.069 176.091 176.300 -0.234 0.000 1.065 597 M CA 1.652 56.707 55.300 -0.408 0.000 1.076 597 M CB 0.032 32.019 32.600 -1.021 0.000 1.403 597 M HN 0.035 nan 8.290 nan 0.000 0.454 598 L N 1.656 122.717 121.223 -0.270 0.000 2.346 598 L HA 0.654 4.906 4.340 -0.147 0.000 0.274 598 L C -2.322 174.426 176.870 -0.203 0.000 1.007 598 L CA -2.428 52.257 54.840 -0.258 0.000 0.818 598 L CB 1.846 43.734 42.059 -0.285 0.000 1.284 598 L HN -0.024 nan 8.230 nan 0.000 0.424 599 P HA 0.166 nan 4.420 nan 0.000 0.277 599 P C -0.666 176.541 177.300 -0.155 0.000 1.240 599 P CA -0.789 62.173 63.100 -0.229 0.000 0.798 599 P CB 0.812 32.327 31.700 -0.308 0.000 0.979 600 R N 1.057 121.487 120.500 -0.118 0.000 2.537 600 R HA 0.204 4.456 4.340 -0.147 0.000 0.281 600 R C 0.907 177.137 176.300 -0.116 0.000 0.988 600 R CA 0.448 56.439 56.100 -0.182 0.000 1.077 600 R CB -0.243 29.827 30.300 -0.384 0.000 0.932 600 R HN 0.675 nan 8.270 nan 0.000 0.409 601 G N 1.774 110.578 108.800 0.007 0.000 2.504 601 G HA2 0.309 4.181 3.960 -0.147 0.000 0.257 601 G HA3 0.309 4.181 3.960 -0.147 0.000 0.257 601 G C -0.689 174.299 174.900 0.146 0.000 1.451 601 G CA -0.009 45.148 45.100 0.095 0.000 1.059 601 G HN 0.722 nan 8.290 nan 0.000 0.550 602 T N -3.295 111.364 114.554 0.174 0.000 2.906 602 T HA 0.417 4.679 4.350 -0.147 0.000 0.295 602 T C 0.896 175.688 174.700 0.153 0.000 1.075 602 T CA -0.681 61.520 62.100 0.170 0.000 1.005 602 T CB 2.405 71.335 68.868 0.103 0.000 1.136 602 T HN 0.461 nan 8.240 nan 0.000 0.498 603 K N 0.836 121.301 120.400 0.108 0.000 2.074 603 K HA -0.103 4.129 4.320 -0.147 0.000 0.209 603 K C 2.056 178.749 176.600 0.156 0.000 1.048 603 K CA 1.982 58.348 56.287 0.131 0.000 0.926 603 K CB -0.872 31.651 32.500 0.039 0.000 0.713 603 K HN 0.817 nan 8.250 nan 0.000 0.444 604 G N -0.505 108.333 108.800 0.062 0.000 2.985 604 G HA2 0.244 4.116 3.960 -0.147 0.000 0.209 604 G HA3 0.244 4.116 3.960 -0.147 0.000 0.209 604 G C 0.121 174.953 174.900 -0.114 0.000 1.165 604 G CA 0.316 45.446 45.100 0.050 0.000 0.776 604 G HN 0.577 nan 8.290 nan 0.000 0.541 605 G N -0.810 107.803 108.800 -0.311 0.000 3.322 605 G HA2 -0.042 3.830 3.960 -0.147 0.000 0.686 605 G HA3 -0.042 3.830 3.960 -0.147 0.000 0.686 605 G C -0.759 173.933 174.900 -0.346 0.000 1.015 605 G CA -0.610 44.006 45.100 -0.806 0.000 0.826 605 G HN 0.518 nan 8.290 nan 0.000 0.538 606 F N 5.871 125.632 119.950 -0.314 0.000 2.420 606 F HA 0.687 5.127 4.527 -0.146 0.000 0.342 606 F C -1.525 174.120 175.800 -0.258 0.000 1.113 606 F CA -2.303 55.550 58.000 -0.245 0.000 1.059 606 F CB 2.057 40.950 39.000 -0.178 0.000 1.128 606 F HN 0.395 nan 8.300 nan 0.000 0.475 607 P HA 0.142 nan 4.420 nan 0.000 0.271 607 P C -1.257 175.675 177.300 -0.613 0.000 1.226 607 P CA 0.615 63.421 63.100 -0.491 0.000 0.765 607 P CB 0.692 32.146 31.700 -0.410 0.000 0.835 608 F N 0.516 120.384 119.950 -0.137 0.000 2.950 608 F HA 0.476 4.915 4.527 -0.147 0.000 0.327 608 F C -0.141 175.620 175.800 -0.064 0.000 1.197 608 F CA -0.350 57.557 58.000 -0.156 0.000 0.954 608 F CB 1.661 40.558 39.000 -0.171 0.000 1.442 608 F HN 0.317 nan 8.300 nan 0.000 0.509 609 Q N 0.696 120.651 119.800 0.258 0.000 2.295 609 Q HA 0.504 4.756 4.340 -0.147 0.000 0.268 609 Q C -2.250 173.997 176.000 0.411 0.000 1.010 609 Q CA -0.664 55.324 55.803 0.309 0.000 0.856 609 Q CB 2.221 31.103 28.738 0.240 0.000 1.349 609 Q HN 0.375 nan 8.270 nan 0.000 0.412 610 F N 1.284 121.341 119.950 0.177 0.000 2.377 610 F HA 0.669 5.107 4.527 -0.147 0.000 0.328 610 F C 0.106 176.026 175.800 0.199 0.000 1.094 610 F CA -0.839 57.281 58.000 0.200 0.000 1.093 610 F CB 1.996 41.109 39.000 0.188 0.000 1.214 610 F HN 0.462 nan 8.300 nan 0.000 0.518 611 V N 4.231 124.323 119.914 0.297 0.000 2.668 611 V HA 0.751 4.783 4.120 -0.147 0.000 0.304 611 V C -1.704 174.528 176.094 0.230 0.000 1.071 611 V CA -0.762 61.572 62.300 0.057 0.000 0.894 611 V CB 1.813 33.400 31.823 -0.393 0.000 1.008 611 V HN 0.679 nan 8.190 nan 0.000 0.425 612 V N 4.388 124.442 119.914 0.234 0.000 2.459 612 V HA 0.783 4.815 4.120 -0.147 0.000 0.295 612 V C -0.844 175.433 176.094 0.306 0.000 1.029 612 V CA -0.598 61.870 62.300 0.281 0.000 0.874 612 V CB 1.307 33.278 31.823 0.245 0.000 0.985 612 V HN 1.040 nan 8.190 nan 0.000 0.438 613 F N 4.968 125.005 119.950 0.146 0.000 2.518 613 F HA 0.787 5.225 4.527 -0.147 0.000 0.323 613 F C -0.776 175.127 175.800 0.171 0.000 1.129 613 F CA -0.863 57.207 58.000 0.116 0.000 0.920 613 F CB 2.069 41.081 39.000 0.020 0.000 1.160 613 F HN 0.707 nan 8.300 nan 0.000 0.440 614 V N 8.509 128.175 119.914 -0.414 0.000 2.588 614 V HA 0.674 4.706 4.120 -0.147 0.000 0.304 614 V C -1.854 174.036 176.094 -0.340 0.000 1.042 614 V CA -0.384 61.749 62.300 -0.278 0.000 0.877 614 V CB 1.487 33.284 31.823 -0.043 0.000 0.996 614 V HN 0.822 nan 8.190 nan 0.000 0.425 615 Y N 4.046 124.078 120.300 -0.448 0.000 2.638 615 Y HA 0.901 5.362 4.550 -0.147 0.000 0.339 615 Y C -3.016 172.450 175.900 -0.722 0.000 1.084 615 Y CA -3.442 54.265 58.100 -0.655 0.000 1.068 615 Y CB 1.268 39.480 38.460 -0.414 0.000 1.294 615 Y HN 0.386 nan 8.280 nan 0.000 0.480 616 P HA 0.004 nan 4.420 nan 0.000 0.267 616 P C -1.068 176.127 177.300 -0.176 0.000 1.205 616 P CA 0.432 63.162 63.100 -0.616 0.000 0.765 616 P CB 0.114 31.513 31.700 -0.502 0.000 0.828 617 F N 4.869 124.704 119.950 -0.191 0.000 2.424 617 F HA 0.217 4.656 4.527 -0.147 0.000 0.356 617 F C 0.847 176.626 175.800 -0.034 0.000 1.110 617 F CA -0.036 57.897 58.000 -0.112 0.000 1.161 617 F CB 0.371 39.328 39.000 -0.072 0.000 1.115 617 F HN 0.472 nan 8.300 nan 0.000 0.507 618 E N 1.854 121.669 120.200 -0.642 0.000 4.452 618 E HA 0.230 4.492 4.350 -0.147 0.000 0.189 618 E C -0.621 175.638 176.600 -0.568 0.000 1.163 618 E CA -0.836 55.224 56.400 -0.567 0.000 0.841 618 E CB 0.173 29.730 29.700 -0.238 0.000 2.367 618 E HN 0.369 nan 8.360 nan 0.000 0.483 619 S N -0.294 115.244 115.700 -0.270 0.000 2.552 619 S HA 0.125 4.507 4.470 -0.147 0.000 0.289 619 S C -0.249 174.286 174.600 -0.107 0.000 1.304 619 S CA 0.483 58.583 58.200 -0.167 0.000 1.063 619 S CB 0.053 63.197 63.200 -0.092 0.000 0.848 619 S HN 0.442 nan 8.310 nan 0.000 0.499 620 T N 3.561 118.077 114.554 -0.064 0.000 3.604 620 T HA 0.104 4.366 4.350 -0.147 0.000 0.305 620 T C 1.279 175.988 174.700 0.016 0.000 0.978 620 T CA -0.189 61.919 62.100 0.015 0.000 0.999 620 T CB 0.222 69.129 68.868 0.065 0.000 1.204 620 T HN 0.654 nan 8.240 nan 0.000 0.476 621 T N 1.371 115.925 114.554 -0.000 0.000 2.867 621 T HA 0.035 4.297 4.350 -0.147 0.000 0.268 621 T C 1.138 175.848 174.700 0.017 0.000 1.057 621 T CA 1.114 63.217 62.100 0.005 0.000 1.136 621 T CB -0.027 68.839 68.868 -0.003 0.000 0.874 621 T HN 0.280 nan 8.240 nan 0.000 0.466 622 K N 2.144 122.559 120.400 0.024 0.000 2.861 622 K HA 0.199 4.431 4.320 -0.147 0.000 0.210 622 K C 0.035 176.660 176.600 0.042 0.000 1.112 622 K CA -0.492 55.814 56.287 0.032 0.000 1.076 622 K CB 0.302 32.822 32.500 0.033 0.000 0.853 622 K HN 0.461 nan 8.250 nan 0.000 0.463 623 N N 0.515 119.239 118.700 0.041 0.000 2.326 623 N HA -0.022 4.630 4.740 -0.147 0.000 0.239 623 N C 0.200 175.728 175.510 0.030 0.000 1.301 623 N CA 0.161 53.235 53.050 0.040 0.000 0.909 623 N CB 0.760 39.264 38.487 0.028 0.000 1.156 623 N HN 0.062 nan 8.380 nan 0.000 0.462 624 L N 0.232 121.462 121.223 0.012 0.000 3.154 624 L HA 0.164 4.416 4.340 -0.147 0.000 0.266 624 L C 1.194 178.068 176.870 0.007 0.000 1.300 624 L CA -0.286 54.567 54.840 0.022 0.000 1.028 624 L CB 0.014 42.086 42.059 0.021 0.000 1.412 624 L HN 0.564 nan 8.230 nan 0.000 0.564 625 T N 0.521 115.072 114.554 -0.005 0.000 2.759 625 T HA -0.104 4.158 4.350 -0.147 0.000 0.269 625 T C -0.516 174.217 174.700 0.055 0.000 1.042 625 T CA 1.452 63.545 62.100 -0.011 0.000 1.140 625 T CB -0.600 68.268 68.868 0.001 0.000 0.864 625 T HN 0.263 nan 8.240 nan 0.000 0.455 626 P HA -0.062 nan 4.420 nan 0.000 0.219 626 P C 0.768 178.270 177.300 0.335 0.000 1.146 626 P CA 0.911 64.144 63.100 0.221 0.000 0.808 626 P CB 0.004 31.857 31.700 0.256 0.000 0.779 627 Y N -0.253 120.055 120.300 0.013 0.000 2.280 627 Y HA 0.102 4.564 4.550 -0.147 0.000 0.267 627 Y C 0.596 176.408 175.900 -0.147 0.000 1.070 627 Y CA 0.456 58.407 58.100 -0.248 0.000 1.079 627 Y CB 0.397 38.591 38.460 -0.443 0.000 1.026 627 Y HN -0.293 nan 8.280 nan 0.000 0.479 628 E N 1.531 121.552 120.200 -0.298 0.000 2.145 628 E HA 0.140 4.402 4.350 -0.147 0.000 0.270 628 E C 0.409 176.784 176.600 -0.375 0.000 0.906 628 E CA -0.405 55.746 56.400 -0.415 0.000 0.761 628 E CB 1.860 31.125 29.700 -0.724 0.000 1.116 628 E HN 0.360 nan 8.360 nan 0.000 0.408 629 K N 1.932 122.259 120.400 -0.122 0.000 2.059 629 K HA -0.164 4.067 4.320 -0.147 0.000 0.212 629 K C 1.823 178.344 176.600 -0.131 0.000 1.050 629 K CA 1.526 57.791 56.287 -0.037 0.000 0.927 629 K CB -0.553 32.024 32.500 0.128 0.000 0.714 629 K HN 0.546 nan 8.250 nan 0.000 0.447 630 F N 0.292 120.217 119.950 -0.043 0.000 2.494 630 F HA 0.039 4.478 4.527 -0.147 0.000 0.298 630 F C 1.070 176.452 175.800 -0.697 0.000 1.106 630 F CA 0.130 57.959 58.000 -0.284 0.000 1.452 630 F CB -0.925 37.950 39.000 -0.207 0.000 1.085 630 F HN -0.186 nan 8.300 nan 0.000 0.569 631 M N 2.539 121.712 119.600 -0.712 0.000 3.586 631 M HA 0.216 4.608 4.480 -0.147 0.000 0.225 631 M C -0.191 175.877 176.300 -0.386 0.000 1.428 631 M CA -0.327 54.623 55.300 -0.583 0.000 1.613 631 M CB -0.201 32.222 32.600 -0.294 0.000 1.063 631 M HN 0.231 nan 8.290 nan 0.000 0.593 632 I N -2.540 117.719 120.570 -0.518 0.000 3.864 632 I HA 0.432 4.514 4.170 -0.147 0.000 0.326 632 I C -0.290 175.856 176.117 0.049 0.000 1.444 632 I CA -0.051 61.142 61.300 -0.179 0.000 1.195 632 I CB -0.631 37.273 38.000 -0.161 0.000 1.124 632 I HN 0.165 nan 8.210 nan 0.000 0.407 633 D N -0.058 120.439 120.400 0.161 0.000 2.592 633 D HA 0.295 4.847 4.640 -0.147 0.000 0.263 633 D C 0.176 176.605 176.300 0.214 0.000 1.132 633 D CA -0.475 53.715 54.000 0.316 0.000 0.996 633 D CB 1.773 42.960 40.800 0.645 0.000 1.442 633 D HN -0.075 nan 8.370 nan 0.000 0.486 634 N N -0.362 118.425 118.700 0.146 0.000 2.388 634 N HA 0.005 4.657 4.740 -0.147 0.000 0.176 634 N C -0.229 175.297 175.510 0.027 0.000 1.062 634 N CA 0.331 53.419 53.050 0.065 0.000 0.895 634 N CB 0.268 38.761 38.487 0.010 0.000 1.018 634 N HN 0.098 nan 8.380 nan 0.000 0.456 635 K N 2.040 122.440 120.400 0.000 0.000 2.380 635 K HA 0.091 4.323 4.320 -0.147 0.000 0.267 635 K C -2.311 174.257 176.600 -0.054 0.000 0.990 635 K CA -1.292 54.871 56.287 -0.206 0.000 0.946 635 K CB -0.261 31.953 32.500 -0.477 0.000 0.937 635 K HN 0.222 nan 8.250 nan 0.000 0.491 636 P HA 0.029 nan 4.420 nan 0.000 0.268 636 P C -0.070 177.298 177.300 0.113 0.000 1.204 636 P CA -0.051 63.100 63.100 0.085 0.000 0.768 636 P CB 0.417 32.206 31.700 0.148 0.000 0.842 637 L N 2.479 123.764 121.223 0.102 0.000 2.628 637 L HA 0.104 4.356 4.340 -0.147 0.000 0.274 637 L C 1.776 178.726 176.870 0.133 0.000 1.209 637 L CA 1.142 55.952 54.840 -0.051 0.000 0.930 637 L CB -0.965 40.951 42.059 -0.239 0.000 1.183 637 L HN 0.878 nan 8.230 nan 0.000 0.492 638 G N 2.357 111.241 108.800 0.140 0.000 2.176 638 G HA2 -0.330 3.542 3.960 -0.147 0.000 0.232 638 G HA3 -0.330 3.542 3.960 -0.147 0.000 0.232 638 G C 0.015 175.143 174.900 0.379 0.000 0.986 638 G CA -0.407 44.978 45.100 0.476 0.000 0.643 638 G HN 0.597 nan 8.290 nan 0.000 0.522 639 Y N 2.793 123.109 120.300 0.028 0.000 2.811 639 Y HA 0.337 4.799 4.550 -0.147 0.000 0.334 639 Y C -1.030 174.723 175.900 -0.246 0.000 1.247 639 Y CA -0.104 57.899 58.100 -0.161 0.000 1.526 639 Y CB 1.005 39.290 38.460 -0.292 0.000 1.284 639 Y HN 0.087 nan 8.280 nan 0.000 0.586 640 P HA 0.081 nan 4.420 nan 0.000 0.259 640 P C -0.569 176.169 177.300 -0.936 0.000 1.530 640 P CA 0.398 62.576 63.100 -1.536 0.000 1.022 640 P CB -0.226 30.157 31.700 -2.196 0.000 1.514 641 F N 1.174 120.943 119.950 -0.302 0.000 2.850 641 F HA 0.144 4.583 4.527 -0.146 0.000 0.306 641 F C 1.593 177.570 175.800 0.294 0.000 1.162 641 F CA -0.624 57.341 58.000 -0.058 0.000 1.327 641 F CB -0.115 38.762 39.000 -0.206 0.000 0.953 641 F HN -0.045 nan 8.300 nan 0.000 0.507 642 D N 0.589 121.203 120.400 0.355 0.000 2.323 642 D HA -0.007 4.545 4.640 -0.147 0.000 0.209 642 D C 0.599 177.044 176.300 0.242 0.000 0.973 642 D CA 0.362 54.610 54.000 0.413 0.000 0.874 642 D CB 0.433 41.438 40.800 0.341 0.000 0.930 642 D HN 0.402 nan 8.370 nan 0.000 0.521 643 R N -1.204 119.196 120.500 -0.166 0.000 2.741 643 R HA 0.556 4.808 4.340 -0.147 0.000 0.274 643 R C -3.284 172.213 176.300 -1.339 0.000 1.029 643 R CA -1.590 53.977 56.100 -0.888 0.000 0.880 643 R CB -0.100 29.827 30.300 -0.621 0.000 1.264 643 R HN -0.291 nan 8.270 nan 0.000 0.465 644 P HA 0.075 nan 4.420 nan 0.000 0.269 644 P C -0.971 175.940 177.300 -0.648 0.000 1.215 644 P CA -0.566 61.810 63.100 -1.208 0.000 0.780 644 P CB 0.806 32.005 31.700 -0.833 0.000 0.898 645 V N 1.855 121.533 119.914 -0.394 0.000 2.769 645 V HA 0.249 4.281 4.120 -0.147 0.000 0.312 645 V C -0.378 175.618 176.094 -0.164 0.000 1.058 645 V CA -0.840 61.317 62.300 -0.238 0.000 0.952 645 V CB 1.624 33.348 31.823 -0.164 0.000 1.019 645 V HN 0.397 nan 8.190 nan 0.000 0.445 646 D N 3.632 123.963 120.400 -0.115 0.000 2.383 646 D HA -0.009 4.543 4.640 -0.147 0.000 0.275 646 D C 0.439 176.697 176.300 -0.069 0.000 1.344 646 D CA 0.695 54.645 54.000 -0.084 0.000 0.984 646 D CB 0.405 41.174 40.800 -0.051 0.000 1.104 646 D HN 0.748 nan 8.370 nan 0.000 0.524 647 T N 1.938 116.448 114.554 -0.074 0.000 2.867 647 T HA -0.000 4.262 4.350 -0.147 0.000 0.290 647 T C -0.112 174.546 174.700 -0.070 0.000 1.025 647 T CA 0.597 62.656 62.100 -0.067 0.000 1.146 647 T CB 0.176 69.005 68.868 -0.064 0.000 1.024 647 T HN 0.273 nan 8.240 nan 0.000 0.519 648 S N 2.720 118.370 115.700 -0.083 0.000 2.562 648 S HA 0.300 4.682 4.470 -0.147 0.000 0.274 648 S C 0.884 175.377 174.600 -0.177 0.000 1.160 648 S CA -0.465 57.670 58.200 -0.108 0.000 0.933 648 S CB 0.302 63.482 63.200 -0.033 0.000 1.100 648 S HN 1.018 nan 8.310 nan 0.000 0.468 649 C N 2.650 121.732 119.300 -0.363 0.000 2.576 649 C HA 0.512 4.884 4.460 -0.147 0.000 0.267 649 C C 0.085 174.779 174.990 -0.494 0.000 1.364 649 C CA -0.493 58.242 59.018 -0.473 0.000 1.723 649 C CB -2.219 25.143 27.740 -0.629 0.000 1.778 649 C HN 0.559 nan 8.230 nan 0.000 0.572 650 F N 2.032 121.963 119.950 -0.032 0.000 2.375 650 F HA 0.457 4.896 4.527 -0.147 0.000 0.361 650 F C 0.442 176.230 175.800 -0.021 0.000 1.117 650 F CA -1.590 56.394 58.000 -0.027 0.000 1.037 650 F CB 0.548 39.533 39.000 -0.024 0.000 1.192 650 F HN 0.049 nan 8.300 nan 0.000 0.452 651 K N 2.194 122.699 120.400 0.175 0.000 2.436 651 K HA 0.066 4.298 4.320 -0.147 0.000 0.275 651 K C 0.095 176.768 176.600 0.122 0.000 0.999 651 K CA -0.349 56.016 56.287 0.130 0.000 0.980 651 K CB 0.628 33.203 32.500 0.126 0.000 0.919 651 K HN 0.549 nan 8.250 nan 0.000 0.484 652 Q N 3.633 123.508 119.800 0.126 0.000 2.373 652 Q HA 0.103 4.355 4.340 -0.147 0.000 0.255 652 Q C -1.776 174.310 176.000 0.142 0.000 0.980 652 Q CA -1.508 54.350 55.803 0.091 0.000 0.882 652 Q CB 1.115 29.947 28.738 0.156 0.000 1.249 652 Q HN 0.409 nan 8.270 nan 0.000 0.438 653 P HA -0.099 nan 4.420 nan 0.000 0.225 653 P C -0.158 177.264 177.300 0.203 0.000 1.156 653 P CA 0.915 64.109 63.100 0.156 0.000 0.787 653 P CB 0.251 32.027 31.700 0.128 0.000 0.802 654 N N 0.335 119.178 118.700 0.237 0.000 2.346 654 N HA 0.099 4.751 4.740 -0.147 0.000 0.225 654 N C 0.148 175.802 175.510 0.240 0.000 1.144 654 N CA -0.138 53.038 53.050 0.210 0.000 0.837 654 N CB 0.004 38.635 38.487 0.240 0.000 1.069 654 N HN 0.269 nan 8.380 nan 0.000 0.487 655 I N -0.637 120.122 120.570 0.314 0.000 2.752 655 I HA 0.514 4.596 4.170 -0.147 0.000 0.295 655 I C -2.066 174.284 176.117 0.388 0.000 1.219 655 I CA -1.082 60.435 61.300 0.361 0.000 1.030 655 I CB 2.325 40.556 38.000 0.384 0.000 1.259 655 I HN -0.107 nan 8.210 nan 0.000 0.423 656 F N 6.810 126.843 119.950 0.139 0.000 2.574 656 F HA 0.583 5.022 4.527 -0.147 0.000 0.313 656 F C -1.823 174.044 175.800 0.112 0.000 1.130 656 F CA -0.488 57.628 58.000 0.192 0.000 0.936 656 F CB 1.581 40.677 39.000 0.160 0.000 1.219 656 F HN 0.181 nan 8.300 nan 0.000 0.445 657 F N 4.537 124.327 119.950 -0.267 0.000 2.436 657 F HA 0.652 5.090 4.527 -0.147 0.000 0.340 657 F C -0.285 175.460 175.800 -0.092 0.000 1.113 657 F CA -0.727 57.248 58.000 -0.042 0.000 1.022 657 F CB 1.707 40.680 39.000 -0.046 0.000 1.128 657 F HN 0.343 nan 8.300 nan 0.000 0.466 658 R N 2.208 122.912 120.500 0.340 0.000 2.476 658 R HA 0.372 4.624 4.340 -0.147 0.000 0.305 658 R C -1.562 174.881 176.300 0.237 0.000 0.965 658 R CA -0.666 55.620 56.100 0.310 0.000 0.867 658 R CB 0.615 31.160 30.300 0.409 0.000 1.176 658 R HN 0.451 nan 8.270 nan 0.000 0.447 659 D N 2.159 122.646 120.400 0.145 0.000 2.455 659 D HA 0.200 4.752 4.640 -0.147 0.000 0.241 659 D C -0.570 175.780 176.300 0.084 0.000 1.138 659 D CA 0.401 54.453 54.000 0.085 0.000 0.877 659 D CB 1.142 41.956 40.800 0.024 0.000 1.187 659 D HN 0.203 nan 8.370 nan 0.000 0.451 660 V N 1.279 121.245 119.914 0.087 0.000 3.007 660 V HA 0.514 4.546 4.120 -0.147 0.000 0.311 660 V C -0.653 175.473 176.094 0.053 0.000 1.120 660 V CA -0.508 61.824 62.300 0.054 0.000 0.980 660 V CB 2.524 34.384 31.823 0.061 0.000 1.033 660 V HN 0.537 nan 8.190 nan 0.000 0.429 661 S N 1.850 117.561 115.700 0.018 0.000 2.557 661 S HA 0.635 5.017 4.470 -0.147 0.000 0.291 661 S C -0.961 173.595 174.600 -0.073 0.000 1.116 661 S CA -0.463 57.692 58.200 -0.076 0.000 0.992 661 S CB 1.879 64.937 63.200 -0.236 0.000 1.028 661 S HN 0.476 nan 8.310 nan 0.000 0.484 662 V N 4.457 124.354 119.914 -0.027 0.000 2.333 662 V HA 0.399 4.431 4.120 -0.147 0.000 0.274 662 V C -1.058 174.999 176.094 -0.063 0.000 1.028 662 V CA -0.454 61.862 62.300 0.026 0.000 0.851 662 V CB -0.100 31.787 31.823 0.106 0.000 1.000 662 V HN 0.784 nan 8.190 nan 0.000 0.456 663 Y N 2.942 123.294 120.300 0.087 0.000 2.432 663 Y HA 0.546 5.008 4.550 -0.147 0.000 0.322 663 Y C 0.470 176.454 175.900 0.139 0.000 1.246 663 Y CA -0.620 57.541 58.100 0.103 0.000 1.268 663 Y CB 1.025 39.520 38.460 0.058 0.000 1.276 663 Y HN 0.574 nan 8.280 nan 0.000 0.499 664 H N 1.480 120.680 119.070 0.217 0.000 2.689 664 H HA 0.365 4.833 4.556 -0.147 0.000 0.346 664 H C -1.326 174.093 175.328 0.152 0.000 1.037 664 H CA -0.584 55.547 56.048 0.138 0.000 1.234 664 H CB 1.270 31.084 29.762 0.086 0.000 1.572 664 H HN 0.862 nan 8.280 nan 0.000 0.524 665 E N 2.152 122.148 120.200 -0.340 0.000 2.232 665 E HA 0.489 4.751 4.350 -0.147 0.000 0.265 665 E C 0.355 176.832 176.600 -0.205 0.000 1.001 665 E CA -0.438 55.862 56.400 -0.167 0.000 0.870 665 E CB 1.835 31.474 29.700 -0.101 0.000 1.175 665 E HN 0.901 nan 8.360 nan 0.000 0.407 666 G N 1.320 110.113 108.800 -0.012 0.000 2.697 666 G HA2 -0.287 3.585 3.960 -0.147 0.000 0.240 666 G HA3 -0.287 3.585 3.960 -0.147 0.000 0.240 666 G C -0.360 174.634 174.900 0.157 0.000 1.346 666 G CA -0.258 44.904 45.100 0.104 0.000 0.887 666 G HN 0.548 nan 8.290 nan 0.000 0.569 667 E N -0.817 119.453 120.200 0.118 0.000 2.452 667 E HA 0.291 4.553 4.350 -0.147 0.000 0.261 667 E C 0.970 177.717 176.600 0.244 0.000 0.987 667 E CA 0.488 56.864 56.400 -0.041 0.000 0.926 667 E CB 0.317 29.659 29.700 -0.598 0.000 0.934 667 E HN 0.545 nan 8.360 nan 0.000 0.452 668 Y N 4.081 124.358 120.300 -0.037 0.000 2.243 668 Y HA -0.070 4.392 4.550 -0.147 0.000 0.293 668 Y C 0.524 176.271 175.900 -0.256 0.000 1.124 668 Y CA 1.131 59.127 58.100 -0.173 0.000 1.159 668 Y CB 0.345 38.560 38.460 -0.409 0.000 1.008 668 Y HN 0.523 nan 8.280 nan 0.000 0.527 669 H N 0.080 119.046 119.070 -0.173 0.000 2.580 669 H HA 0.313 4.782 4.556 -0.146 0.000 0.322 669 H C 1.055 175.972 175.328 -0.685 0.000 1.082 669 H CA 0.144 55.877 56.048 -0.524 0.000 1.383 669 H CB 1.669 30.881 29.762 -0.916 0.000 1.450 669 H HN 0.430 nan 8.280 nan 0.000 0.505 670 A N 4.225 126.654 122.820 -0.651 0.000 1.933 670 A HA -0.214 4.018 4.320 -0.147 0.000 0.218 670 A C 1.820 179.267 177.584 -0.229 0.000 1.175 670 A CA 1.342 52.953 52.037 -0.709 0.000 0.628 670 A CB -0.928 17.596 19.000 -0.793 0.000 0.814 670 A HN 0.841 nan 8.150 nan 0.000 0.444 671 Y N -1.129 119.162 120.300 -0.015 0.000 2.403 671 Y HA -0.046 4.415 4.550 -0.147 0.000 0.291 671 Y C 1.770 177.671 175.900 0.000 0.000 1.143 671 Y CA 0.835 58.955 58.100 0.034 0.000 1.257 671 Y CB -0.437 38.054 38.460 0.052 0.000 0.984 671 Y HN 0.180 nan 8.280 nan 0.000 0.550 672 E N 0.614 120.621 120.200 -0.321 0.000 2.160 672 E HA -0.191 4.071 4.350 -0.147 0.000 0.195 672 E C 1.350 177.752 176.600 -0.330 0.000 0.991 672 E CA 1.201 57.416 56.400 -0.309 0.000 0.810 672 E CB -0.474 28.898 29.700 -0.547 0.000 0.742 672 E HN 0.702 nan 8.360 nan 0.000 0.466 673 Y N 0.462 120.653 120.300 -0.182 0.000 2.583 673 Y HA 0.019 4.480 4.550 -0.149 0.000 0.293 673 Y C 1.393 177.495 175.900 0.336 0.000 1.157 673 Y CA 0.441 58.461 58.100 -0.133 0.000 1.315 673 Y CB 0.056 38.380 38.460 -0.226 0.000 1.021 673 Y HN -0.000 nan 8.280 nan 0.000 0.536 674 N N -0.646 118.300 118.700 0.410 0.000 2.203 674 N HA 0.086 4.738 4.740 -0.147 0.000 0.207 674 N C -0.452 175.303 175.510 0.408 0.000 1.130 674 N CA 0.147 53.487 53.050 0.484 0.000 0.861 674 N CB 0.669 39.392 38.487 0.393 0.000 1.005 674 N HN -0.058 nan 8.380 nan 0.000 0.507 675 V N 2.618 122.682 119.914 0.250 0.000 2.488 675 V HA 0.101 4.133 4.120 -0.147 0.000 0.277 675 V C -1.198 174.736 176.094 -0.265 0.000 1.046 675 V CA -1.107 61.231 62.300 0.063 0.000 0.986 675 V CB 1.627 33.477 31.823 0.046 0.000 0.989 675 V HN -0.025 nan 8.190 nan 0.000 0.475 676 P HA -0.248 nan 4.420 nan 0.000 0.216 676 P C 1.580 178.352 177.300 -0.880 0.000 1.157 676 P CA 2.068 64.411 63.100 -1.261 0.000 0.880 676 P CB 0.179 31.535 31.700 -0.574 0.000 0.791 677 A N -2.034 120.541 122.820 -0.408 0.000 1.978 677 A HA -0.249 3.983 4.320 -0.147 0.000 0.220 677 A C 2.263 179.716 177.584 -0.219 0.000 1.170 677 A CA 1.675 53.564 52.037 -0.248 0.000 0.636 677 A CB -1.779 17.145 19.000 -0.127 0.000 0.810 677 A HN 0.228 nan 8.150 nan 0.000 0.448 678 Y N 0.138 120.263 120.300 -0.291 0.000 2.176 678 Y HA -0.059 4.401 4.550 -0.150 0.000 0.291 678 Y C 1.851 177.650 175.900 -0.168 0.000 1.122 678 Y CA 1.749 59.740 58.100 -0.180 0.000 1.128 678 Y CB -0.448 37.985 38.460 -0.044 0.000 1.005 678 Y HN 0.392 nan 8.280 nan 0.000 0.509 679 F N -1.824 118.123 119.950 -0.004 0.000 2.802 679 F HA 0.212 4.642 4.527 -0.162 0.000 0.300 679 F C 1.498 177.290 175.800 -0.012 0.000 1.168 679 F CA 0.626 58.586 58.000 -0.067 0.000 1.433 679 F CB -0.539 38.282 39.000 -0.299 0.000 1.115 679 F HN -0.126 nan 8.300 nan 0.000 0.582 680 S N -1.354 114.282 115.700 -0.107 0.000 2.556 680 S HA 0.135 4.517 4.470 -0.147 0.000 0.216 680 S C -0.432 174.231 174.600 0.105 0.000 0.970 680 S CA -0.053 58.166 58.200 0.032 0.000 0.912 680 S CB -0.478 62.640 63.200 -0.137 0.000 0.790 680 S HN 0.580 nan 8.310 nan 0.000 0.504 681 H N 0.000 118.970 119.070 -0.167 0.000 2.539 681 H HA 0.000 4.467 4.556 -0.149 0.000 0.296 681 H CA 0.000 55.948 56.048 -0.167 0.000 1.023 681 H CB 0.000 29.694 29.762 -0.113 0.000 1.292 681 H HN 0.000 nan 8.280 nan 0.000 0.496