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 1jrp_1_E DATA FIRST_RESID 1 DATA SEQUENCE MEIAFLLNGE TRRVRIEDPT QSLLELLRAE GLTGTKEGCN EGDCGACTVM DATA SEQUENCE IRDAAGSRAV NACLMMLPQI AGKALRTIEG IAAPDGRLHP VQQAMIDHHG DATA SEQUENCE SQCGFCTPGF IVSMAAAHDR DRKDYDDLLA GNLCRCTGYA PILRAAEAAA DATA SEQUENCE GEPPADWLQA DAAFTLXXXX XXXXXXXXPA FLPETSDALA DWYLAHPEAT DATA SEQUENCE LIAGGTDVSL WVTKALRDLP EVAFLSHCKD LAQIRETPDG YGIGAGVTIA DATA SEQUENCE ALRAFAEGPH PALAGLLRRF ASEQVRQVAT IGGNIANGSP IGDGPPALIA DATA SEQUENCE MGASLTLRRG QERRRMPLED FFLEYRKQDR RPGEFVESVT LPKSAPGLRC DATA SEQUENCE YKLSKRFDQD ISAVCGCLNL TLKGSKIETA RIAFGGMAGV PKRAAAFEAA DATA SEQUENCE LIGQDFREDT IAAALPLLAQ DFTPLSDMRA SAAYRMNAAQ AMALRYVREL DATA SEQUENCE SGEAVAVLEV MP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.036 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 E N 4.868 125.084 120.200 0.028 0.000 2.214 2 E HA 0.840 5.190 4.350 -0.000 0.000 0.274 2 E C -1.086 175.534 176.600 0.032 0.000 0.977 2 E CA -0.715 55.702 56.400 0.028 0.000 0.827 2 E CB 2.172 31.882 29.700 0.017 0.000 1.130 2 E HN 0.690 nan 8.360 nan 0.000 0.394 3 I N -1.282 119.320 120.570 0.052 0.000 3.095 3 I HA 0.859 5.029 4.170 -0.000 0.000 0.310 3 I C -1.566 174.606 176.117 0.092 0.000 1.196 3 I CA -0.909 60.439 61.300 0.080 0.000 0.985 3 I CB 2.231 40.300 38.000 0.115 0.000 1.250 3 I HN 0.510 nan 8.210 nan 0.000 0.446 4 A N 3.057 125.962 122.820 0.140 0.000 2.454 4 A HA 0.991 5.311 4.320 -0.000 0.000 0.302 4 A C -1.184 176.552 177.584 0.254 0.000 1.079 4 A CA -0.501 51.587 52.037 0.084 0.000 0.731 4 A CB 1.539 20.611 19.000 0.119 0.000 1.299 4 A HN 1.274 nan 8.150 nan 0.000 0.413 5 F N -0.916 119.068 119.950 0.058 0.000 2.769 5 F HA 0.628 5.155 4.527 -0.000 0.000 0.313 5 F C -1.906 173.654 175.800 -0.399 0.000 1.146 5 F CA -1.117 56.782 58.000 -0.170 0.000 0.934 5 F CB 0.710 39.642 39.000 -0.115 0.000 1.283 5 F HN 0.565 nan 8.300 nan 0.000 0.443 6 L N 2.584 123.484 121.223 -0.539 0.000 2.307 6 L HA 0.766 5.106 4.340 -0.000 0.000 0.282 6 L C -1.322 175.517 176.870 -0.052 0.000 1.051 6 L CA -0.717 53.826 54.840 -0.494 0.000 0.804 6 L CB 1.409 42.954 42.059 -0.857 0.000 1.197 6 L HN 0.772 nan 8.230 nan 0.000 0.431 7 L N 5.850 127.065 121.223 -0.014 0.000 2.324 7 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 7 L C -0.381 176.502 176.870 0.023 0.000 1.012 7 L CA 0.017 54.907 54.840 0.084 0.000 0.859 7 L CB 0.359 42.494 42.059 0.128 0.000 1.224 7 L HN 0.740 nan 8.230 nan 0.000 0.429 8 N N 4.402 123.115 118.700 0.021 0.000 2.705 8 N HA -0.224 4.516 4.740 -0.000 0.000 0.255 8 N C 1.053 176.580 175.510 0.027 0.000 1.008 8 N CA 1.259 54.328 53.050 0.032 0.000 0.742 8 N CB -1.059 37.446 38.487 0.030 0.000 0.906 8 N HN 1.132 nan 8.380 nan 0.000 0.541 9 G N -1.297 107.513 108.800 0.016 0.000 2.225 9 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.254 9 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.254 9 G C -0.023 174.876 174.900 -0.001 0.000 0.988 9 G CA 0.718 45.830 45.100 0.020 0.000 0.625 9 G HN 0.563 nan 8.290 nan 0.000 0.527 10 E N 0.516 120.701 120.200 -0.025 0.000 2.222 10 E HA 0.556 4.906 4.350 -0.000 0.000 0.267 10 E C -0.218 176.333 176.600 -0.082 0.000 0.963 10 E CA -0.259 56.120 56.400 -0.036 0.000 0.837 10 E CB 0.979 30.658 29.700 -0.035 0.000 1.183 10 E HN 0.177 nan 8.360 nan 0.000 0.403 11 T N 1.973 116.492 114.554 -0.057 0.000 2.817 11 T HA 0.478 4.828 4.350 -0.000 0.000 0.293 11 T C -0.214 174.386 174.700 -0.166 0.000 0.964 11 T CA -0.543 61.519 62.100 -0.064 0.000 1.085 11 T CB 0.793 69.678 68.868 0.027 0.000 0.921 11 T HN 0.174 nan 8.240 nan 0.000 0.502 12 R N 1.687 121.983 120.500 -0.339 0.000 2.538 12 R HA 0.416 4.756 4.340 -0.000 0.000 0.292 12 R C -1.005 174.975 176.300 -0.533 0.000 1.008 12 R CA -0.641 55.181 56.100 -0.464 0.000 0.896 12 R CB 1.099 30.991 30.300 -0.680 0.000 1.187 12 R HN 0.559 nan 8.270 nan 0.000 0.440 13 R N 2.839 123.167 120.500 -0.288 0.000 2.445 13 R HA 0.637 4.977 4.340 -0.000 0.000 0.308 13 R C -0.896 175.332 176.300 -0.121 0.000 0.961 13 R CA -1.003 54.991 56.100 -0.176 0.000 0.862 13 R CB 1.986 32.237 30.300 -0.083 0.000 1.144 13 R HN 0.255 nan 8.270 nan 0.000 0.447 14 V N 2.742 122.626 119.914 -0.049 0.000 2.709 14 V HA 0.413 4.533 4.120 -0.000 0.000 0.308 14 V C 0.164 176.283 176.094 0.043 0.000 1.062 14 V CA -1.045 61.267 62.300 0.020 0.000 0.901 14 V CB 2.405 34.293 31.823 0.109 0.000 1.003 14 V HN 0.634 nan 8.190 nan 0.000 0.425 15 R N 3.336 123.858 120.500 0.036 0.000 2.242 15 R HA 0.475 4.815 4.340 -0.000 0.000 0.334 15 R C -0.692 175.638 176.300 0.051 0.000 1.071 15 R CA -0.226 55.897 56.100 0.038 0.000 0.922 15 R CB 0.514 30.831 30.300 0.028 0.000 1.023 15 R HN 0.607 nan 8.270 nan 0.000 0.458 16 I N 3.877 124.482 120.570 0.057 0.000 2.337 16 I HA 0.017 4.187 4.170 -0.000 0.000 0.291 16 I C 1.103 177.255 176.117 0.059 0.000 1.046 16 I CA 0.333 61.672 61.300 0.064 0.000 1.324 16 I CB 1.090 39.135 38.000 0.075 0.000 1.409 16 I HN 0.624 nan 8.210 nan 0.000 0.494 17 E N 3.006 123.239 120.200 0.055 0.000 2.413 17 E HA 0.010 4.359 4.350 -0.000 0.000 0.203 17 E C -0.301 176.333 176.600 0.057 0.000 0.957 17 E CA 0.267 56.697 56.400 0.051 0.000 0.950 17 E CB 0.598 30.323 29.700 0.042 0.000 0.957 17 E HN 0.510 nan 8.360 nan 0.000 0.497 18 D N 0.618 121.056 120.400 0.063 0.000 2.505 18 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 18 D C -2.123 174.232 176.300 0.092 0.000 1.164 18 D CA -2.265 51.778 54.000 0.071 0.000 0.870 18 D CB 1.695 42.532 40.800 0.062 0.000 1.160 18 D HN -0.194 nan 8.370 nan 0.000 0.549 19 P HA 0.068 nan 4.420 nan 0.000 0.253 19 P C 0.761 178.203 177.300 0.237 0.000 1.260 19 P CA 0.231 63.447 63.100 0.195 0.000 0.800 19 P CB 0.619 32.446 31.700 0.211 0.000 1.162 20 T N -1.593 113.052 114.554 0.152 0.000 3.001 20 T HA 0.057 4.407 4.350 -0.000 0.000 0.251 20 T C 0.818 175.577 174.700 0.098 0.000 1.040 20 T CA -0.080 62.110 62.100 0.149 0.000 0.985 20 T CB -0.165 68.774 68.868 0.118 0.000 1.011 20 T HN 0.109 nan 8.240 nan 0.000 0.509 21 Q N 2.296 122.141 119.800 0.075 0.000 2.354 21 Q HA 0.066 4.406 4.340 -0.000 0.000 0.310 21 Q C 0.069 176.081 176.000 0.020 0.000 1.104 21 Q CA 0.032 55.861 55.803 0.045 0.000 0.968 21 Q CB 0.484 29.245 28.738 0.038 0.000 1.251 21 Q HN 0.480 nan 8.270 nan 0.000 0.411 22 S N 2.707 118.411 115.700 0.007 0.000 2.646 22 S HA 0.141 4.611 4.470 -0.000 0.000 0.276 22 S C 0.715 175.290 174.600 -0.042 0.000 1.222 22 S CA -0.835 57.353 58.200 -0.020 0.000 1.014 22 S CB 1.216 64.408 63.200 -0.013 0.000 0.991 22 S HN 0.749 nan 8.310 nan 0.000 0.533 23 L N 1.997 123.173 121.223 -0.077 0.000 2.046 23 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 23 L C 2.158 178.987 176.870 -0.068 0.000 1.077 23 L CA 1.830 56.608 54.840 -0.102 0.000 0.747 23 L CB -1.214 40.756 42.059 -0.148 0.000 0.896 23 L HN 0.870 nan 8.230 nan 0.000 0.432 24 L N -0.082 121.108 121.223 -0.055 0.000 2.043 24 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 24 L C 2.400 179.258 176.870 -0.020 0.000 1.075 24 L CA 2.033 56.850 54.840 -0.039 0.000 0.752 24 L CB -0.826 41.214 42.059 -0.031 0.000 0.891 24 L HN 0.485 nan 8.230 nan 0.000 0.432 25 E N -0.335 119.858 120.200 -0.011 0.000 2.107 25 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 25 E C 2.279 178.882 176.600 0.004 0.000 0.982 25 E CA 1.327 57.729 56.400 0.003 0.000 0.809 25 E CB -0.655 29.052 29.700 0.013 0.000 0.756 25 E HN 0.577 nan 8.360 nan 0.000 0.459 26 L N 1.367 122.589 121.223 -0.002 0.000 2.013 26 L HA -0.217 4.122 4.340 -0.000 0.000 0.212 26 L C 2.451 179.329 176.870 0.012 0.000 1.073 26 L CA 1.404 56.251 54.840 0.011 0.000 0.753 26 L CB -0.332 41.737 42.059 0.017 0.000 0.890 26 L HN 0.042 nan 8.230 nan 0.000 0.432 27 L N -0.738 120.482 121.223 -0.006 0.000 2.012 27 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 27 L C 2.803 179.676 176.870 0.005 0.000 1.073 27 L CA 1.693 56.532 54.840 -0.002 0.000 0.748 27 L CB -0.618 41.428 42.059 -0.021 0.000 0.891 27 L HN 0.244 nan 8.230 nan 0.000 0.431 28 R N -0.159 120.343 120.500 0.003 0.000 2.090 28 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 28 R C 2.469 178.778 176.300 0.015 0.000 1.110 28 R CA 1.099 57.204 56.100 0.008 0.000 0.973 28 R CB -0.514 29.793 30.300 0.011 0.000 0.869 28 R HN 0.341 nan 8.270 nan 0.000 0.440 29 A N 1.483 124.313 122.820 0.017 0.000 1.940 29 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 29 A C 1.787 179.383 177.584 0.021 0.000 1.176 29 A CA 1.308 53.357 52.037 0.020 0.000 0.631 29 A CB -0.211 18.803 19.000 0.023 0.000 0.814 29 A HN 0.153 nan 8.150 nan 0.000 0.446 30 E N -1.458 118.756 120.200 0.023 0.000 2.418 30 E HA 0.068 4.418 4.350 -0.000 0.000 0.197 30 E C 1.343 177.954 176.600 0.017 0.000 1.026 30 E CA 0.818 57.232 56.400 0.024 0.000 0.862 30 E CB -0.154 29.565 29.700 0.033 0.000 0.799 30 E HN 0.842 nan 8.360 nan 0.000 0.518 31 G N 0.866 109.675 108.800 0.015 0.000 2.179 31 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 31 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 31 G C 0.475 175.380 174.900 0.008 0.000 0.990 31 G CA 0.035 45.142 45.100 0.012 0.000 0.646 31 G HN 0.265 nan 8.290 nan 0.000 0.517 32 L N 2.077 123.304 121.223 0.007 0.000 2.672 32 L HA 0.207 4.547 4.340 -0.000 0.000 0.238 32 L C 2.102 178.967 176.870 -0.007 0.000 1.392 32 L CA 0.458 55.298 54.840 0.001 0.000 1.238 32 L CB -0.012 42.049 42.059 0.003 0.000 1.548 32 L HN 0.228 nan 8.230 nan 0.000 0.423 33 T N 0.062 114.614 114.554 -0.003 0.000 3.118 33 T HA -0.102 4.247 4.350 -0.000 0.000 0.269 33 T C 1.716 176.404 174.700 -0.021 0.000 1.166 33 T CA 1.329 63.427 62.100 -0.003 0.000 1.073 33 T CB -0.011 68.862 68.868 0.009 0.000 0.884 33 T HN 0.729 nan 8.240 nan 0.000 0.550 34 G N 0.293 109.074 108.800 -0.031 0.000 2.453 34 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.215 34 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.215 34 G C 0.713 175.558 174.900 -0.091 0.000 1.147 34 G CA 0.148 45.215 45.100 -0.055 0.000 0.802 34 G HN 0.479 nan 8.290 nan 0.000 0.535 35 T N 2.585 117.094 114.554 -0.076 0.000 2.834 35 T HA 0.336 4.686 4.350 -0.000 0.000 0.298 35 T C 0.062 174.688 174.700 -0.123 0.000 0.966 35 T CA 0.044 62.086 62.100 -0.097 0.000 1.141 35 T CB 1.287 70.113 68.868 -0.070 0.000 0.905 35 T HN 0.083 nan 8.240 nan 0.000 0.535 36 K N 2.549 122.827 120.400 -0.203 0.000 2.095 36 K HA 0.372 4.692 4.320 -0.000 0.000 0.252 36 K C 0.068 176.613 176.600 -0.093 0.000 0.977 36 K CA -0.741 55.398 56.287 -0.248 0.000 0.900 36 K CB 1.765 33.815 32.500 -0.751 0.000 1.060 36 K HN 0.679 nan 8.250 nan 0.000 0.449 37 E N 0.197 120.423 120.200 0.043 0.000 2.156 37 E HA 0.309 4.659 4.350 -0.000 0.000 0.279 37 E C -0.049 176.662 176.600 0.185 0.000 0.965 37 E CA -0.463 55.989 56.400 0.086 0.000 0.789 37 E CB 1.010 30.761 29.700 0.085 0.000 1.098 37 E HN 0.777 nan 8.360 nan 0.000 0.397 38 G N 2.390 111.273 108.800 0.138 0.000 2.692 38 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.201 38 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.201 38 G C 0.831 175.790 174.900 0.098 0.000 1.063 38 G CA 0.668 45.872 45.100 0.174 0.000 0.790 38 G HN 0.722 nan 8.290 nan 0.000 0.599 39 C N -3.042 116.297 119.300 0.065 0.000 4.498 39 C HA 0.427 4.887 4.460 -0.000 0.000 0.505 39 C C 1.078 176.090 174.990 0.038 0.000 1.553 39 C CA 0.310 59.355 59.018 0.046 0.000 2.306 39 C CB -0.662 27.100 27.740 0.037 0.000 3.422 39 C HN 0.380 nan 8.230 nan 0.000 0.612 40 N N 1.504 120.224 118.700 0.033 0.000 2.708 40 N HA -0.254 4.486 4.740 -0.000 0.000 0.251 40 N C 0.413 175.936 175.510 0.022 0.000 1.123 40 N CA 1.210 54.276 53.050 0.025 0.000 0.739 40 N CB -0.550 37.956 38.487 0.033 0.000 1.113 40 N HN 0.890 nan 8.380 nan 0.000 0.561 41 E N -1.520 118.690 120.200 0.017 0.000 2.702 41 E HA 0.179 4.529 4.350 -0.000 0.000 0.225 41 E C 1.088 177.690 176.600 0.003 0.000 0.942 41 E CA 0.627 57.036 56.400 0.016 0.000 1.210 41 E CB 0.448 30.162 29.700 0.024 0.000 1.143 41 E HN 0.470 nan 8.360 nan 0.000 0.544 42 G N 1.542 110.340 108.800 -0.004 0.000 2.241 42 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 42 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 42 G C 0.669 175.560 174.900 -0.016 0.000 0.998 42 G CA 0.610 45.700 45.100 -0.015 0.000 0.621 42 G HN 0.347 nan 8.290 nan 0.000 0.519 43 D N -0.561 119.835 120.400 -0.005 0.000 2.333 43 D HA 0.135 4.775 4.640 -0.000 0.000 0.208 43 D C 2.525 178.825 176.300 0.001 0.000 0.984 43 D CA 1.352 55.351 54.000 -0.002 0.000 0.873 43 D CB -0.112 40.694 40.800 0.009 0.000 0.935 43 D HN 0.739 nan 8.370 nan 0.000 0.521 44 C N -2.091 117.211 119.300 0.003 0.000 2.512 44 C HA 0.534 4.994 4.460 -0.000 0.000 0.276 44 C C 2.234 177.200 174.990 -0.040 0.000 1.368 44 C CA 0.377 59.400 59.018 0.009 0.000 1.755 44 C CB -0.365 27.400 27.740 0.042 0.000 2.008 44 C HN 0.372 nan 8.230 nan 0.000 0.511 45 G N 0.839 109.600 108.800 -0.064 0.000 2.234 45 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 45 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 45 G C 1.255 176.082 174.900 -0.122 0.000 0.987 45 G CA 0.708 45.736 45.100 -0.121 0.000 0.625 45 G HN 1.532 nan 8.290 nan 0.000 0.532 46 A N -0.060 122.714 122.820 -0.077 0.000 2.234 46 A HA 0.197 4.517 4.320 -0.000 0.000 0.216 46 A C 2.162 179.676 177.584 -0.117 0.000 1.167 46 A CA 2.313 54.294 52.037 -0.093 0.000 0.698 46 A CB -0.951 18.023 19.000 -0.043 0.000 0.779 46 A HN 1.821 nan 8.150 nan 0.000 0.475 47 C N -2.979 116.267 119.300 -0.090 0.000 2.976 47 C HA 0.399 4.859 4.460 -0.000 0.000 0.274 47 C C 0.613 175.553 174.990 -0.083 0.000 1.487 47 C CA -0.615 58.353 59.018 -0.083 0.000 1.789 47 C CB -1.722 25.984 27.740 -0.057 0.000 2.771 47 C HN 0.247 nan 8.230 nan 0.000 0.551 48 T N 3.078 117.576 114.554 -0.094 0.000 2.888 48 T HA 0.430 4.780 4.350 -0.000 0.000 0.301 48 T C 0.516 175.167 174.700 -0.081 0.000 1.001 48 T CA 0.617 62.663 62.100 -0.090 0.000 1.147 48 T CB 0.701 69.506 68.868 -0.104 0.000 0.931 48 T HN 0.760 nan 8.240 nan 0.000 0.541 49 V N 1.497 121.364 119.914 -0.078 0.000 3.164 49 V HA 0.738 4.858 4.120 -0.000 0.000 0.313 49 V C -0.453 175.599 176.094 -0.070 0.000 1.188 49 V CA -1.461 60.795 62.300 -0.074 0.000 1.058 49 V CB 2.233 34.006 31.823 -0.084 0.000 1.110 49 V HN 0.827 nan 8.190 nan 0.000 0.453 50 M N 2.595 122.157 119.600 -0.063 0.000 2.243 50 M HA 0.677 5.157 4.480 -0.000 0.000 0.324 50 M C -0.971 175.292 176.300 -0.063 0.000 1.031 50 M CA -0.733 54.533 55.300 -0.057 0.000 0.949 50 M CB 1.354 33.928 32.600 -0.044 0.000 1.615 50 M HN 0.865 nan 8.290 nan 0.000 0.430 51 I N 1.383 121.913 120.570 -0.066 0.000 2.822 51 I HA 0.741 4.911 4.170 -0.000 0.000 0.312 51 I C -0.891 175.199 176.117 -0.045 0.000 1.011 51 I CA -0.959 60.299 61.300 -0.070 0.000 1.105 51 I CB 1.892 39.838 38.000 -0.090 0.000 1.291 51 I HN 0.803 nan 8.210 nan 0.000 0.474 52 R N 2.144 122.624 120.500 -0.032 0.000 2.584 52 R HA 0.442 4.782 4.340 -0.000 0.000 0.276 52 R C -2.111 174.200 176.300 0.019 0.000 1.046 52 R CA -0.270 55.825 56.100 -0.008 0.000 0.906 52 R CB 2.054 32.356 30.300 0.004 0.000 1.215 52 R HN 1.034 nan 8.270 nan 0.000 0.449 53 D N 2.813 123.226 120.400 0.021 0.000 3.236 53 D HA 0.249 4.889 4.640 -0.000 0.000 0.325 53 D C 0.476 176.793 176.300 0.028 0.000 1.352 53 D CA -0.040 53.985 54.000 0.042 0.000 0.979 53 D CB 0.079 40.891 40.800 0.021 0.000 1.410 53 D HN 0.373 nan 8.370 nan 0.000 0.588 54 A N 0.103 122.938 122.820 0.024 0.000 1.908 54 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 54 A C 2.152 179.738 177.584 0.004 0.000 1.181 54 A CA 3.089 55.135 52.037 0.015 0.000 0.627 54 A CB -1.481 17.524 19.000 0.010 0.000 0.818 54 A HN 0.853 nan 8.150 nan 0.000 0.445 55 A N -1.886 120.930 122.820 -0.007 0.000 2.178 55 A HA 0.399 4.719 4.320 -0.000 0.000 0.218 55 A C 1.615 179.193 177.584 -0.011 0.000 1.157 55 A CA 1.815 53.844 52.037 -0.013 0.000 0.689 55 A CB -0.895 18.090 19.000 -0.025 0.000 0.787 55 A HN 2.061 nan 8.150 nan 0.000 0.465 56 G N -1.560 107.236 108.800 -0.006 0.000 2.301 56 G HA2 0.281 4.241 3.960 -0.000 0.000 0.194 56 G HA3 0.281 4.241 3.960 -0.000 0.000 0.194 56 G C -0.133 174.761 174.900 -0.009 0.000 1.266 56 G CA 0.194 45.290 45.100 -0.005 0.000 1.210 56 G HN 1.657 nan 8.290 nan 0.000 0.524 57 S N -0.527 115.165 115.700 -0.013 0.000 2.548 57 S HA 0.932 5.402 4.470 -0.000 0.000 0.286 57 S C -0.471 174.116 174.600 -0.023 0.000 1.098 57 S CA -0.396 57.794 58.200 -0.017 0.000 0.930 57 S CB 2.694 65.887 63.200 -0.011 0.000 1.070 57 S HN 1.125 nan 8.310 nan 0.000 0.480 58 R N 0.586 121.067 120.500 -0.031 0.000 2.817 58 R HA 0.859 5.199 4.340 -0.000 0.000 0.268 58 R C -1.243 175.034 176.300 -0.039 0.000 1.027 58 R CA -1.034 55.046 56.100 -0.033 0.000 0.928 58 R CB 1.502 31.779 30.300 -0.039 0.000 1.228 58 R HN 0.855 nan 8.270 nan 0.000 0.469 59 A N 0.897 123.695 122.820 -0.037 0.000 2.304 59 A HA 0.704 5.024 4.320 -0.000 0.000 0.323 59 A C -0.341 177.212 177.584 -0.052 0.000 1.195 59 A CA -0.611 51.399 52.037 -0.045 0.000 0.826 59 A CB 0.848 19.824 19.000 -0.039 0.000 1.184 59 A HN 0.635 nan 8.150 nan 0.000 0.496 60 V N 0.768 120.644 119.914 -0.063 0.000 3.130 60 V HA 0.551 4.671 4.120 -0.000 0.000 0.310 60 V C -0.751 175.300 176.094 -0.071 0.000 1.158 60 V CA -1.341 60.921 62.300 -0.065 0.000 1.029 60 V CB 2.132 33.911 31.823 -0.073 0.000 1.057 60 V HN 0.812 nan 8.190 nan 0.000 0.436 61 N N 2.355 121.016 118.700 -0.065 0.000 2.405 61 N HA 0.317 5.057 4.740 -0.000 0.000 0.260 61 N C 1.042 176.510 175.510 -0.070 0.000 1.152 61 N CA 0.272 53.283 53.050 -0.065 0.000 0.948 61 N CB 1.897 40.352 38.487 -0.053 0.000 1.111 61 N HN 1.035 nan 8.380 nan 0.000 0.485 62 A N 1.684 124.459 122.820 -0.074 0.000 2.178 62 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 62 A C 2.237 179.783 177.584 -0.064 0.000 1.157 62 A CA 0.769 52.758 52.037 -0.080 0.000 0.689 62 A CB -0.658 18.294 19.000 -0.081 0.000 0.787 62 A HN 0.932 nan 8.150 nan 0.000 0.465 63 C N -1.901 117.370 119.300 -0.049 0.000 2.467 63 C HA 0.201 4.660 4.460 -0.000 0.000 0.279 63 C C 2.064 177.033 174.990 -0.034 0.000 1.347 63 C CA 0.515 59.514 59.018 -0.032 0.000 1.748 63 C CB -1.464 26.265 27.740 -0.017 0.000 1.977 63 C HN 0.461 nan 8.230 nan 0.000 0.501 64 L N 0.372 121.568 121.223 -0.046 0.000 2.592 64 L HA 0.282 4.622 4.340 -0.000 0.000 0.227 64 L C 0.972 177.802 176.870 -0.066 0.000 1.127 64 L CA 0.247 55.057 54.840 -0.050 0.000 0.884 64 L CB -0.406 41.622 42.059 -0.051 0.000 1.065 64 L HN 0.523 nan 8.230 nan 0.000 0.457 65 M N 1.342 120.894 119.600 -0.081 0.000 2.311 65 M HA 0.486 4.966 4.480 -0.000 0.000 0.325 65 M C -0.753 175.469 176.300 -0.130 0.000 1.061 65 M CA -0.511 54.720 55.300 -0.115 0.000 0.957 65 M CB 2.016 34.533 32.600 -0.137 0.000 1.646 65 M HN -0.076 nan 8.290 nan 0.000 0.434 66 M N 3.449 122.952 119.600 -0.161 0.000 2.359 66 M HA 0.292 4.772 4.480 -0.000 0.000 0.322 66 M C 0.676 176.820 176.300 -0.260 0.000 1.166 66 M CA -0.715 54.490 55.300 -0.157 0.000 1.067 66 M CB 1.035 33.603 32.600 -0.053 0.000 1.523 66 M HN 0.864 nan 8.290 nan 0.000 0.467 67 L N 1.272 122.389 121.223 -0.177 0.000 1.963 67 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 67 L C -0.449 176.282 176.870 -0.232 0.000 1.076 67 L CA 2.313 57.045 54.840 -0.181 0.000 0.772 67 L CB -1.664 40.354 42.059 -0.069 0.000 0.892 67 L HN 0.586 nan 8.230 nan 0.000 0.435 68 P HA -0.268 nan 4.420 nan 0.000 0.219 68 P C 1.275 178.395 177.300 -0.299 0.000 1.151 68 P CA 1.599 64.539 63.100 -0.267 0.000 0.850 68 P CB -0.032 31.414 31.700 -0.423 0.000 0.784 69 Q N -1.078 118.435 119.800 -0.479 0.000 2.436 69 Q HA -0.057 4.282 4.340 -0.000 0.000 0.209 69 Q C 1.559 177.453 176.000 -0.177 0.000 0.965 69 Q CA 0.665 56.272 55.803 -0.328 0.000 0.910 69 Q CB -0.422 28.073 28.738 -0.405 0.000 0.980 69 Q HN 0.401 nan 8.270 nan 0.000 0.491 70 I N -3.387 117.074 120.570 -0.181 0.000 3.891 70 I HA 0.387 4.557 4.170 -0.000 0.000 0.331 70 I C 0.273 176.379 176.117 -0.018 0.000 1.406 70 I CA -0.721 60.476 61.300 -0.171 0.000 1.139 70 I CB 0.149 37.927 38.000 -0.371 0.000 1.056 70 I HN -0.196 nan 8.210 nan 0.000 0.399 71 A N 1.793 124.674 122.820 0.102 0.000 2.548 71 A HA 0.408 4.728 4.320 -0.000 0.000 0.247 71 A C 1.596 179.333 177.584 0.254 0.000 1.067 71 A CA 0.644 52.789 52.037 0.181 0.000 0.757 71 A CB -0.748 18.282 19.000 0.051 0.000 0.996 71 A HN 1.211 nan 8.150 nan 0.000 0.504 72 G N 1.951 110.946 108.800 0.325 0.000 2.168 72 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.257 72 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.257 72 G C 0.229 175.387 174.900 0.430 0.000 0.997 72 G CA 0.958 46.318 45.100 0.433 0.000 0.708 72 G HN 0.854 nan 8.290 nan 0.000 0.520 73 K N -0.504 120.051 120.400 0.259 0.000 2.280 73 K HA 0.819 5.138 4.320 -0.000 0.000 0.234 73 K C -0.054 176.540 176.600 -0.011 0.000 1.028 73 K CA -0.240 56.123 56.287 0.128 0.000 0.882 73 K CB 1.965 34.480 32.500 0.024 0.000 1.194 73 K HN 0.552 nan 8.250 nan 0.000 0.458 74 A N 1.344 124.138 122.820 -0.044 0.000 2.318 74 A HA 0.538 4.858 4.320 -0.000 0.000 0.324 74 A C -1.355 176.178 177.584 -0.085 0.000 1.170 74 A CA -0.598 51.355 52.037 -0.139 0.000 0.810 74 A CB 0.594 19.539 19.000 -0.093 0.000 1.198 74 A HN 0.468 nan 8.150 nan 0.000 0.484 75 L N 2.111 123.288 121.223 -0.078 0.000 2.333 75 L HA 0.787 5.126 4.340 -0.000 0.000 0.280 75 L C -0.282 176.567 176.870 -0.035 0.000 1.004 75 L CA -0.279 54.517 54.840 -0.073 0.000 0.820 75 L CB 1.512 43.502 42.059 -0.114 0.000 1.247 75 L HN 0.740 nan 8.230 nan 0.000 0.416 76 R N 2.067 122.546 120.500 -0.035 0.000 2.476 76 R HA 0.731 5.071 4.340 -0.000 0.000 0.305 76 R C -0.536 175.752 176.300 -0.021 0.000 0.965 76 R CA -0.123 55.972 56.100 -0.008 0.000 0.867 76 R CB 1.537 31.842 30.300 0.008 0.000 1.176 76 R HN 0.856 nan 8.270 nan 0.000 0.447 77 T N 0.236 114.783 114.554 -0.011 0.000 2.870 77 T HA 0.266 4.616 4.350 -0.000 0.000 0.277 77 T C 1.100 175.792 174.700 -0.013 0.000 1.000 77 T CA -0.763 61.323 62.100 -0.024 0.000 0.982 77 T CB 0.634 69.486 68.868 -0.026 0.000 1.249 77 T HN 0.388 nan 8.240 nan 0.000 0.589 78 I N 1.672 122.227 120.570 -0.024 0.000 2.208 78 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 78 I C 2.401 178.519 176.117 0.001 0.000 1.097 78 I CA 1.676 62.967 61.300 -0.016 0.000 1.363 78 I CB -0.716 37.266 38.000 -0.029 0.000 1.051 78 I HN 0.782 nan 8.210 nan 0.000 0.413 79 E N -0.098 120.100 120.200 -0.003 0.000 2.333 79 E HA -0.083 4.267 4.350 -0.000 0.000 0.198 79 E C 1.439 178.049 176.600 0.017 0.000 1.007 79 E CA 1.028 57.429 56.400 0.003 0.000 0.845 79 E CB -0.662 29.036 29.700 -0.003 0.000 0.766 79 E HN 0.594 nan 8.360 nan 0.000 0.507 80 G N 1.142 109.962 108.800 0.034 0.000 4.644 80 G HA2 0.317 4.277 3.960 -0.000 0.000 0.307 80 G HA3 0.317 4.277 3.960 -0.000 0.000 0.307 80 G C 0.770 175.752 174.900 0.137 0.000 1.331 80 G CA -0.411 44.725 45.100 0.060 0.000 1.059 80 G HN 0.029 nan 8.290 nan 0.000 0.590 81 I N 0.521 121.174 120.570 0.139 0.000 3.526 81 I HA 0.202 4.372 4.170 -0.000 0.000 0.294 81 I C 1.703 178.073 176.117 0.423 0.000 1.229 81 I CA 0.292 61.731 61.300 0.232 0.000 1.408 81 I CB 0.118 38.167 38.000 0.082 0.000 1.127 81 I HN 0.241 nan 8.210 nan 0.000 0.439 82 A N 1.354 124.299 122.820 0.209 0.000 2.371 82 A HA 0.617 4.937 4.320 -0.000 0.000 0.257 82 A C 0.529 177.949 177.584 -0.273 0.000 1.089 82 A CA -0.078 52.014 52.037 0.092 0.000 0.794 82 A CB 0.296 19.284 19.000 -0.021 0.000 1.029 82 A HN 0.268 nan 8.150 nan 0.000 0.488 83 A N 2.603 124.789 122.820 -1.056 0.000 2.366 83 A HA 0.544 4.864 4.320 -0.000 0.000 0.249 83 A C -1.333 175.801 177.584 -0.750 0.000 1.084 83 A CA -1.073 49.844 52.037 -1.866 0.000 0.794 83 A CB -0.387 16.957 19.000 -2.758 0.000 1.034 83 A HN 0.593 nan 8.150 nan 0.000 0.491 84 P HA -0.172 nan 4.420 nan 0.000 0.217 84 P C 0.403 177.571 177.300 -0.220 0.000 1.148 84 P CA 1.850 64.789 63.100 -0.268 0.000 0.828 84 P CB -0.180 31.411 31.700 -0.182 0.000 0.783 85 D N -2.396 117.854 120.400 -0.250 0.000 2.338 85 D HA 0.164 4.804 4.640 -0.000 0.000 0.239 85 D C 1.339 177.544 176.300 -0.158 0.000 1.095 85 D CA 0.500 54.400 54.000 -0.168 0.000 0.888 85 D CB -0.844 39.876 40.800 -0.134 0.000 0.899 85 D HN 0.193 nan 8.370 nan 0.000 0.525 86 G N 0.255 108.942 108.800 -0.190 0.000 2.225 86 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.254 86 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.254 86 G C 0.446 175.265 174.900 -0.136 0.000 0.988 86 G CA -0.189 44.828 45.100 -0.139 0.000 0.625 86 G HN 0.434 nan 8.290 nan 0.000 0.527 87 R N 0.396 120.786 120.500 -0.183 0.000 2.538 87 R HA 0.403 4.743 4.340 -0.000 0.000 0.282 87 R C 1.148 177.405 176.300 -0.071 0.000 1.009 87 R CA -0.035 55.990 56.100 -0.125 0.000 1.063 87 R CB 0.151 30.363 30.300 -0.147 0.000 0.945 87 R HN 0.385 nan 8.270 nan 0.000 0.414 88 L N 2.507 123.744 121.223 0.022 0.000 2.472 88 L HA 0.099 4.439 4.340 -0.000 0.000 0.260 88 L C 0.977 177.993 176.870 0.243 0.000 1.209 88 L CA -0.217 54.685 54.840 0.104 0.000 0.817 88 L CB 0.197 42.305 42.059 0.081 0.000 1.106 88 L HN 0.541 nan 8.230 nan 0.000 0.479 89 H N 2.158 121.350 119.070 0.204 0.000 2.582 89 H HA 0.148 4.704 4.556 -0.000 0.000 0.345 89 H C -2.036 173.323 175.328 0.052 0.000 1.104 89 H CA -1.989 54.186 56.048 0.212 0.000 1.390 89 H CB 1.810 31.667 29.762 0.159 0.000 1.461 89 H HN 0.274 nan 8.280 nan 0.000 0.551 90 P HA -0.265 nan 4.420 nan 0.000 0.219 90 P C 1.818 179.232 177.300 0.189 0.000 1.161 90 P CA 1.659 64.771 63.100 0.020 0.000 0.909 90 P CB 0.202 31.830 31.700 -0.119 0.000 0.793 91 V N -0.573 119.571 119.914 0.383 0.000 2.278 91 V HA -0.364 3.756 4.120 -0.000 0.000 0.251 91 V C 2.512 178.672 176.094 0.110 0.000 1.062 91 V CA 2.175 64.583 62.300 0.180 0.000 1.038 91 V CB -1.354 30.482 31.823 0.021 0.000 0.646 91 V HN 0.246 nan 8.190 nan 0.000 0.447 92 Q N -1.014 118.862 119.800 0.127 0.000 2.014 92 Q HA -0.301 4.039 4.340 -0.000 0.000 0.207 92 Q C 2.435 178.473 176.000 0.064 0.000 0.993 92 Q CA 1.853 57.705 55.803 0.081 0.000 0.850 92 Q CB -0.393 28.402 28.738 0.094 0.000 0.916 92 Q HN 0.509 nan 8.270 nan 0.000 0.417 93 Q N 0.161 120.006 119.800 0.075 0.000 2.112 93 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 93 Q C 2.120 178.147 176.000 0.045 0.000 0.987 93 Q CA 1.737 57.565 55.803 0.042 0.000 0.858 93 Q CB -0.507 28.257 28.738 0.044 0.000 0.905 93 Q HN 0.437 nan 8.270 nan 0.000 0.420 94 A N 0.918 123.789 122.820 0.086 0.000 1.849 94 A HA -0.235 4.084 4.320 -0.000 0.000 0.217 94 A C 2.092 179.744 177.584 0.114 0.000 1.202 94 A CA 2.244 54.363 52.037 0.137 0.000 0.629 94 A CB -0.636 18.426 19.000 0.103 0.000 0.834 94 A HN 0.340 nan 8.150 nan 0.000 0.447 95 M N -0.227 119.404 119.600 0.051 0.000 2.106 95 M HA -0.166 4.314 4.480 -0.000 0.000 0.259 95 M C 2.209 178.497 176.300 -0.021 0.000 1.068 95 M CA 1.469 56.779 55.300 0.017 0.000 1.100 95 M CB -1.413 31.184 32.600 -0.004 0.000 1.351 95 M HN 0.487 nan 8.290 nan 0.000 0.404 96 I N 0.140 120.688 120.570 -0.038 0.000 2.179 96 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 96 I C 1.835 177.801 176.117 -0.252 0.000 1.088 96 I CA 1.390 62.621 61.300 -0.115 0.000 1.357 96 I CB -0.975 36.974 38.000 -0.086 0.000 1.051 96 I HN 0.244 nan 8.210 nan 0.000 0.409 97 D N -0.166 120.105 120.400 -0.214 0.000 2.219 97 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 97 D C 1.869 177.814 176.300 -0.592 0.000 0.970 97 D CA 1.237 55.005 54.000 -0.388 0.000 0.851 97 D CB -0.295 40.291 40.800 -0.357 0.000 0.943 97 D HN 0.447 nan 8.370 nan 0.000 0.488 98 H N -0.026 118.938 119.070 -0.176 0.000 2.529 98 H HA 0.061 4.617 4.556 -0.000 0.000 0.277 98 H C -0.026 175.332 175.328 0.051 0.000 1.004 98 H CA 0.131 56.154 56.048 -0.043 0.000 1.167 98 H CB 0.061 29.809 29.762 -0.023 0.000 1.445 98 H HN 0.292 nan 8.280 nan 0.000 0.554 99 H N -0.535 118.553 119.070 0.029 0.000 2.756 99 H HA -0.115 4.441 4.556 -0.000 0.000 0.315 99 H C 1.326 176.648 175.328 -0.011 0.000 1.210 99 H CA 0.728 56.778 56.048 0.003 0.000 1.150 99 H CB -1.755 28.006 29.762 -0.003 0.000 1.463 99 H HN 0.550 nan 8.280 nan 0.000 0.427 100 G N 0.204 109.030 108.800 0.043 0.000 3.314 100 G HA2 0.257 4.217 3.960 -0.000 0.000 0.238 100 G HA3 0.257 4.217 3.960 -0.000 0.000 0.238 100 G C 0.487 175.343 174.900 -0.074 0.000 1.184 100 G CA 0.643 45.721 45.100 -0.037 0.000 0.806 100 G HN 0.551 nan 8.290 nan 0.000 0.536 101 S N -1.461 114.230 115.700 -0.015 0.000 2.536 101 S HA 0.561 5.031 4.470 -0.000 0.000 0.271 101 S C -0.117 174.491 174.600 0.014 0.000 1.134 101 S CA -0.626 57.566 58.200 -0.013 0.000 0.897 101 S CB 2.306 65.507 63.200 0.001 0.000 1.094 101 S HN 0.145 nan 8.310 nan 0.000 0.473 102 Q N 1.016 120.822 119.800 0.011 0.000 2.361 102 Q HA 0.127 4.467 4.340 -0.000 0.000 0.182 102 Q C 2.160 178.178 176.000 0.029 0.000 0.650 102 Q CA 0.707 56.520 55.803 0.016 0.000 0.842 102 Q CB -0.418 28.318 28.738 -0.004 0.000 1.211 102 Q HN 0.968 nan 8.270 nan 0.000 0.502 103 C N -0.257 119.065 119.300 0.038 0.000 2.467 103 C HA 0.467 4.927 4.460 -0.000 0.000 0.279 103 C C 1.797 176.845 174.990 0.097 0.000 1.347 103 C CA 0.708 59.759 59.018 0.056 0.000 1.748 103 C CB -0.597 27.174 27.740 0.051 0.000 1.977 103 C HN 0.822 nan 8.230 nan 0.000 0.501 104 G N -0.397 108.468 108.800 0.109 0.000 2.313 104 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.215 104 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.215 104 G C 0.558 175.551 174.900 0.156 0.000 1.023 104 G CA 0.463 45.631 45.100 0.114 0.000 0.626 104 G HN 0.449 nan 8.290 nan 0.000 0.503 105 F N 2.164 122.135 119.950 0.035 0.000 2.216 105 F HA -0.056 4.471 4.527 -0.000 0.000 0.300 105 F C 2.865 178.703 175.800 0.065 0.000 1.085 105 F CA 2.486 60.511 58.000 0.041 0.000 1.326 105 F CB -0.171 38.848 39.000 0.031 0.000 1.027 105 F HN 0.619 nan 8.300 nan 0.000 0.497 106 C N -2.454 116.963 119.300 0.195 0.000 2.697 106 C HA 0.170 4.630 4.460 -0.000 0.000 0.267 106 C C 2.396 177.525 174.990 0.231 0.000 1.278 106 C CA 0.424 59.559 59.018 0.195 0.000 1.708 106 C CB -1.568 26.381 27.740 0.349 0.000 1.860 106 C HN 0.330 nan 8.230 nan 0.000 0.589 107 T N 3.086 117.726 114.554 0.143 0.000 2.701 107 T HA -0.042 4.308 4.350 -0.000 0.000 0.263 107 T C -0.315 174.447 174.700 0.102 0.000 1.040 107 T CA 2.356 64.543 62.100 0.145 0.000 1.147 107 T CB -1.177 67.731 68.868 0.067 0.000 0.865 107 T HN 0.392 nan 8.240 nan 0.000 0.426 108 P HA -0.073 nan 4.420 nan 0.000 0.216 108 P C 1.660 178.949 177.300 -0.019 0.000 1.150 108 P CA 1.221 64.306 63.100 -0.025 0.000 0.843 108 P CB -0.468 31.181 31.700 -0.086 0.000 0.787 109 G N -1.387 107.390 108.800 -0.039 0.000 2.433 109 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 109 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 109 G C 1.354 176.221 174.900 -0.054 0.000 1.186 109 G CA 0.495 45.544 45.100 -0.084 0.000 0.779 109 G HN 0.170 nan 8.290 nan 0.000 0.543 110 F N 0.649 120.594 119.950 -0.009 0.000 2.069 110 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 110 F C 2.726 178.518 175.800 -0.014 0.000 1.113 110 F CA 0.720 58.726 58.000 0.010 0.000 1.214 110 F CB -0.167 38.850 39.000 0.029 0.000 0.978 110 F HN -0.012 nan 8.300 nan 0.000 0.474 111 I N 0.029 120.698 120.570 0.164 0.000 2.074 111 I HA -0.329 3.841 4.170 -0.000 0.000 0.238 111 I C 2.513 178.619 176.117 -0.017 0.000 1.037 111 I CA 1.410 62.735 61.300 0.041 0.000 1.301 111 I CB -1.657 36.346 38.000 0.005 0.000 1.016 111 I HN -0.027 nan 8.210 nan 0.000 0.400 112 V N 0.220 120.118 119.914 -0.026 0.000 2.250 112 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 112 V C 2.735 178.808 176.094 -0.036 0.000 1.060 112 V CA 2.397 64.667 62.300 -0.050 0.000 1.030 112 V CB -0.924 30.868 31.823 -0.052 0.000 0.643 112 V HN 0.418 nan 8.190 nan 0.000 0.445 113 S N -1.328 114.361 115.700 -0.019 0.000 2.383 113 S HA -0.220 4.250 4.470 -0.000 0.000 0.229 113 S C 1.940 176.575 174.600 0.059 0.000 1.030 113 S CA 1.970 60.171 58.200 0.001 0.000 1.002 113 S CB -0.286 62.896 63.200 -0.030 0.000 0.829 113 S HN 0.460 nan 8.310 nan 0.000 0.467 114 M N 0.499 120.149 119.600 0.085 0.000 2.059 114 M HA -0.104 4.376 4.480 -0.000 0.000 0.259 114 M C 2.503 178.843 176.300 0.066 0.000 1.072 114 M CA 1.586 56.958 55.300 0.119 0.000 1.117 114 M CB -0.745 31.916 32.600 0.101 0.000 1.320 114 M HN 0.433 nan 8.290 nan 0.000 0.408 115 A N 0.633 123.402 122.820 -0.085 0.000 1.859 115 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 115 A C 2.369 179.942 177.584 -0.019 0.000 1.198 115 A CA 2.433 54.348 52.037 -0.203 0.000 0.629 115 A CB -1.286 17.466 19.000 -0.412 0.000 0.830 115 A HN 0.540 nan 8.150 nan 0.000 0.446 116 A N -0.399 122.410 122.820 -0.020 0.000 1.948 116 A HA 0.048 4.368 4.320 -0.000 0.000 0.220 116 A C 2.473 180.088 177.584 0.051 0.000 1.177 116 A CA 2.476 54.519 52.037 0.010 0.000 0.636 116 A CB -1.030 17.965 19.000 -0.008 0.000 0.815 116 A HN 1.240 nan 8.150 nan 0.000 0.449 117 A N -1.635 121.232 122.820 0.079 0.000 1.969 117 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 117 A C 2.108 179.770 177.584 0.129 0.000 1.169 117 A CA 1.667 53.755 52.037 0.084 0.000 0.635 117 A CB -0.818 18.251 19.000 0.114 0.000 0.810 117 A HN 0.753 nan 8.150 nan 0.000 0.445 118 H N -0.116 118.993 119.070 0.066 0.000 2.357 118 H HA -0.145 4.410 4.556 -0.000 0.000 0.301 118 H C 1.745 177.095 175.328 0.038 0.000 1.082 118 H CA 1.937 58.035 56.048 0.083 0.000 1.342 118 H CB -0.301 29.549 29.762 0.146 0.000 1.389 118 H HN 0.472 nan 8.280 nan 0.000 0.511 119 D N 0.352 120.897 120.400 0.242 0.000 2.228 119 D HA -0.145 4.495 4.640 -0.000 0.000 0.203 119 D C 1.364 177.691 176.300 0.045 0.000 0.988 119 D CA 1.001 55.081 54.000 0.134 0.000 0.864 119 D CB -0.065 40.771 40.800 0.061 0.000 0.928 119 D HN 0.277 nan 8.370 nan 0.000 0.469 120 R N -0.267 120.244 120.500 0.018 0.000 2.633 120 R HA 0.123 4.463 4.340 -0.000 0.000 0.348 120 R C -0.279 175.992 176.300 -0.048 0.000 1.100 120 R CA 0.022 56.111 56.100 -0.018 0.000 1.068 120 R CB 0.212 30.499 30.300 -0.021 0.000 1.351 120 R HN 0.032 nan 8.270 nan 0.000 0.575 121 D N 1.353 121.708 120.400 -0.075 0.000 2.739 121 D HA -0.201 4.439 4.640 -0.000 0.000 0.230 121 D C -0.420 175.817 176.300 -0.105 0.000 1.167 121 D CA 0.753 54.682 54.000 -0.119 0.000 0.640 121 D CB -0.037 40.696 40.800 -0.112 0.000 1.045 121 D HN -0.017 nan 8.370 nan 0.000 0.421 122 R N 0.120 120.562 120.500 -0.096 0.000 2.539 122 R HA 0.317 4.657 4.340 -0.000 0.000 0.275 122 R C 1.002 177.136 176.300 -0.277 0.000 1.077 122 R CA 0.123 56.136 56.100 -0.146 0.000 1.097 122 R CB 0.846 31.077 30.300 -0.115 0.000 1.018 122 R HN 0.258 nan 8.270 nan 0.000 0.483 123 K N 0.908 121.079 120.400 -0.382 0.000 2.564 123 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 123 K C -0.639 175.513 176.600 -0.748 0.000 1.086 123 K CA -0.025 55.856 56.287 -0.678 0.000 1.062 123 K CB 0.876 33.198 32.500 -0.297 0.000 0.849 123 K HN 0.484 nan 8.250 nan 0.000 0.529 124 D N 0.391 120.487 120.400 -0.506 0.000 2.639 124 D HA 0.027 4.666 4.640 -0.000 0.000 0.233 124 D C 0.549 176.713 176.300 -0.227 0.000 1.161 124 D CA -0.501 53.323 54.000 -0.293 0.000 1.003 124 D CB -0.250 40.457 40.800 -0.154 0.000 1.034 124 D HN 0.084 nan 8.370 nan 0.000 0.514 125 Y N 0.733 121.037 120.300 0.007 0.000 2.114 125 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 125 Y C 1.870 177.779 175.900 0.015 0.000 1.165 125 Y CA 1.235 59.348 58.100 0.022 0.000 1.148 125 Y CB -0.097 38.379 38.460 0.027 0.000 0.972 125 Y HN 0.190 nan 8.280 nan 0.000 0.504 126 D N -0.063 120.418 120.400 0.135 0.000 2.158 126 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 126 D C 1.587 177.907 176.300 0.032 0.000 0.995 126 D CA 1.594 55.629 54.000 0.059 0.000 0.846 126 D CB -0.332 40.481 40.800 0.021 0.000 0.941 126 D HN 0.420 nan 8.370 nan 0.000 0.456 127 D N -0.325 120.084 120.400 0.016 0.000 2.149 127 D HA -0.056 4.583 4.640 -0.000 0.000 0.206 127 D C 2.214 178.523 176.300 0.016 0.000 0.967 127 D CA 0.067 54.071 54.000 0.006 0.000 0.848 127 D CB -0.107 40.687 40.800 -0.011 0.000 0.998 127 D HN 0.061 nan 8.370 nan 0.000 0.474 128 L N 0.727 121.961 121.223 0.017 0.000 2.129 128 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 128 L C 2.197 179.099 176.870 0.054 0.000 1.087 128 L CA 1.326 56.186 54.840 0.032 0.000 0.757 128 L CB -0.943 41.143 42.059 0.046 0.000 0.896 128 L HN 0.104 nan 8.230 nan 0.000 0.434 129 L N -2.017 119.262 121.223 0.093 0.000 2.640 129 L HA 0.184 4.524 4.340 -0.000 0.000 0.230 129 L C 2.366 179.247 176.870 0.019 0.000 1.123 129 L CA 0.274 55.168 54.840 0.089 0.000 0.900 129 L CB -0.484 41.736 42.059 0.269 0.000 1.146 129 L HN 0.092 nan 8.230 nan 0.000 0.484 130 A N 1.184 124.008 122.820 0.006 0.000 1.940 130 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 130 A C 2.160 179.728 177.584 -0.027 0.000 1.190 130 A CA 2.086 54.113 52.037 -0.016 0.000 0.647 130 A CB -1.099 17.902 19.000 0.000 0.000 0.821 130 A HN 0.451 nan 8.150 nan 0.000 0.457 131 G N -0.992 107.782 108.800 -0.043 0.000 3.061 131 G HA2 0.176 4.136 3.960 -0.000 0.000 0.208 131 G HA3 0.176 4.136 3.960 -0.000 0.000 0.208 131 G C -0.126 174.692 174.900 -0.137 0.000 1.175 131 G CA 0.070 45.131 45.100 -0.066 0.000 0.812 131 G HN 0.533 nan 8.290 nan 0.000 0.523 132 N N 0.230 118.805 118.700 -0.208 0.000 2.518 132 N HA 0.469 5.209 4.740 -0.000 0.000 0.254 132 N C -0.709 174.763 175.510 -0.063 0.000 0.979 132 N CA -0.359 52.405 53.050 -0.477 0.000 0.930 132 N CB 2.062 39.655 38.487 -1.491 0.000 1.152 132 N HN -0.020 nan 8.380 nan 0.000 0.505 133 L N 0.878 122.155 121.223 0.089 0.000 2.334 133 L HA 0.600 4.939 4.340 -0.000 0.000 0.277 133 L C -0.089 177.013 176.870 0.387 0.000 1.075 133 L CA -0.856 54.177 54.840 0.322 0.000 0.804 133 L CB 1.220 43.401 42.059 0.202 0.000 1.174 133 L HN 0.526 nan 8.230 nan 0.000 0.438 134 C N 2.902 122.422 119.300 0.368 0.000 2.547 134 C HA 0.523 4.982 4.460 -0.000 0.000 0.313 134 C C 0.932 175.852 174.990 -0.116 0.000 1.191 134 C CA -0.636 58.442 59.018 0.100 0.000 1.474 134 C CB 1.777 29.542 27.740 0.043 0.000 2.081 134 C HN 0.999 nan 8.230 nan 0.000 0.476 135 R N 2.418 122.894 120.500 -0.040 0.000 2.237 135 R HA 0.216 4.556 4.340 -0.000 0.000 0.195 135 R C 1.674 177.919 176.300 -0.091 0.000 0.956 135 R CA 1.752 57.821 56.100 -0.051 0.000 1.029 135 R CB -0.707 29.593 30.300 0.000 0.000 0.972 135 R HN 0.906 nan 8.270 nan 0.000 0.493 136 C N -0.898 118.347 119.300 -0.091 0.000 2.476 136 C HA 0.046 4.506 4.460 -0.000 0.000 0.278 136 C C 2.367 177.287 174.990 -0.118 0.000 1.274 136 C CA 1.160 60.128 59.018 -0.083 0.000 1.713 136 C CB -0.810 26.902 27.740 -0.047 0.000 2.039 136 C HN 0.659 nan 8.230 nan 0.000 0.484 137 T N -2.863 111.578 114.554 -0.189 0.000 3.022 137 T HA 0.401 4.750 4.350 -0.000 0.000 0.250 137 T C 1.557 176.154 174.700 -0.172 0.000 1.060 137 T CA 1.278 63.280 62.100 -0.165 0.000 1.013 137 T CB 0.050 68.808 68.868 -0.183 0.000 0.982 137 T HN 1.064 nan 8.240 nan 0.000 0.508 138 G N 0.501 109.141 108.800 -0.265 0.000 2.176 138 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.253 138 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.253 138 G C 0.597 175.515 174.900 0.030 0.000 0.979 138 G CA 0.404 45.443 45.100 -0.102 0.000 0.641 138 G HN 0.615 nan 8.290 nan 0.000 0.530 139 Y N -2.171 118.109 120.300 -0.033 0.000 2.802 139 Y HA -0.403 4.147 4.550 -0.000 0.000 0.485 139 Y C 2.948 178.806 175.900 -0.069 0.000 1.190 139 Y CA 2.891 60.958 58.100 -0.056 0.000 2.757 139 Y CB -1.916 36.549 38.460 0.009 0.000 0.919 139 Y HN 1.277 nan 8.280 nan 0.000 0.540 140 A N 0.402 123.293 122.820 0.118 0.000 1.929 140 A HA -0.279 4.041 4.320 -0.000 0.000 0.221 140 A C -0.262 177.320 177.584 -0.004 0.000 1.211 140 A CA 2.774 54.838 52.037 0.045 0.000 0.657 140 A CB -1.856 17.166 19.000 0.036 0.000 0.827 140 A HN 0.523 nan 8.150 nan 0.000 0.462 141 P HA -0.070 nan 4.420 nan 0.000 0.219 141 P C 1.474 178.733 177.300 -0.069 0.000 1.150 141 P CA 0.859 63.954 63.100 -0.009 0.000 0.814 141 P CB -0.179 31.531 31.700 0.016 0.000 0.787 142 I N -0.845 119.662 120.570 -0.105 0.000 2.202 142 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 142 I C 2.526 178.536 176.117 -0.178 0.000 1.091 142 I CA 1.095 62.289 61.300 -0.177 0.000 1.368 142 I CB -0.820 36.995 38.000 -0.308 0.000 1.058 142 I HN -0.083 nan 8.210 nan 0.000 0.410 143 L N 0.990 122.131 121.223 -0.137 0.000 2.051 143 L HA -0.302 4.038 4.340 -0.000 0.000 0.214 143 L C 2.930 179.647 176.870 -0.254 0.000 1.076 143 L CA 1.727 56.449 54.840 -0.197 0.000 0.758 143 L CB -0.307 41.699 42.059 -0.090 0.000 0.890 143 L HN 0.232 nan 8.230 nan 0.000 0.433 144 R N -0.608 119.762 120.500 -0.216 0.000 2.080 144 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 144 R C 2.314 178.336 176.300 -0.463 0.000 1.137 144 R CA 1.603 57.505 56.100 -0.330 0.000 0.943 144 R CB -0.586 29.517 30.300 -0.329 0.000 0.846 144 R HN 0.505 nan 8.270 nan 0.000 0.431 145 A N 1.055 123.660 122.820 -0.358 0.000 1.940 145 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 145 A C 2.355 179.808 177.584 -0.218 0.000 1.176 145 A CA 1.745 53.626 52.037 -0.260 0.000 0.631 145 A CB -0.681 18.276 19.000 -0.072 0.000 0.814 145 A HN 0.442 nan 8.150 nan 0.000 0.446 146 A N -0.258 122.380 122.820 -0.303 0.000 1.877 146 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 146 A C 1.943 179.338 177.584 -0.314 0.000 1.186 146 A CA 1.751 53.548 52.037 -0.401 0.000 0.620 146 A CB -0.554 17.858 19.000 -0.979 0.000 0.822 146 A HN 0.634 nan 8.150 nan 0.000 0.443 147 E N -0.439 119.565 120.200 -0.326 0.000 2.051 147 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 147 E C 2.172 178.733 176.600 -0.064 0.000 0.991 147 E CA 0.957 57.270 56.400 -0.145 0.000 0.799 147 E CB -0.273 29.353 29.700 -0.123 0.000 0.748 147 E HN 0.604 nan 8.360 nan 0.000 0.449 148 A N 0.615 123.369 122.820 -0.111 0.000 2.172 148 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 148 A C 1.998 179.608 177.584 0.043 0.000 1.154 148 A CA 1.330 53.350 52.037 -0.028 0.000 0.701 148 A CB -0.152 18.833 19.000 -0.026 0.000 0.789 148 A HN 0.253 nan 8.150 nan 0.000 0.465 149 A N -1.438 121.419 122.820 0.063 0.000 2.390 149 A HA 0.624 4.944 4.320 -0.000 0.000 0.232 149 A C 1.916 179.625 177.584 0.209 0.000 1.233 149 A CA 0.880 53.008 52.037 0.150 0.000 0.907 149 A CB -0.295 18.816 19.000 0.185 0.000 0.967 149 A HN 0.731 nan 8.150 nan 0.000 0.512 150 A N -0.036 122.861 122.820 0.128 0.000 2.016 150 A HA 0.278 4.598 4.320 -0.000 0.000 0.217 150 A C 1.821 179.419 177.584 0.024 0.000 1.162 150 A CA 1.155 53.234 52.037 0.070 0.000 0.662 150 A CB -0.750 18.309 19.000 0.098 0.000 0.812 150 A HN 0.780 nan 8.150 nan 0.000 0.450 151 G N 0.400 109.231 108.800 0.051 0.000 3.392 151 G HA2 0.408 4.368 3.960 -0.000 0.000 0.247 151 G HA3 0.408 4.368 3.960 -0.000 0.000 0.247 151 G C -0.173 174.758 174.900 0.052 0.000 1.161 151 G CA -0.104 45.018 45.100 0.036 0.000 1.739 151 G HN 0.372 nan 8.290 nan 0.000 0.619 152 E N -0.065 120.179 120.200 0.072 0.000 2.372 152 E HA 0.219 4.569 4.350 -0.000 0.000 0.279 152 E C -2.928 173.736 176.600 0.108 0.000 0.946 152 E CA -1.674 54.785 56.400 0.098 0.000 0.769 152 E CB 2.471 32.248 29.700 0.129 0.000 1.230 152 E HN -0.072 nan 8.360 nan 0.000 0.442 153 P HA 0.177 nan 4.420 nan 0.000 0.267 153 P C -2.424 174.921 177.300 0.076 0.000 1.205 153 P CA -0.989 62.134 63.100 0.038 0.000 0.765 153 P CB -0.432 31.274 31.700 0.010 0.000 0.828 154 P HA -0.048 nan 4.420 nan 0.000 0.268 154 P C -0.310 176.867 177.300 -0.205 0.000 1.189 154 P CA 0.485 63.653 63.100 0.113 0.000 0.771 154 P CB 0.278 31.999 31.700 0.035 0.000 0.822 155 A N 2.164 124.684 122.820 -0.501 0.000 2.409 155 A HA 0.166 4.485 4.320 -0.000 0.000 0.262 155 A C 1.080 178.312 177.584 -0.587 0.000 1.113 155 A CA -0.193 51.281 52.037 -0.940 0.000 0.790 155 A CB -0.175 17.606 19.000 -2.031 0.000 1.046 155 A HN 0.661 nan 8.150 nan 0.000 0.496 156 D N 1.562 121.789 120.400 -0.289 0.000 2.117 156 D HA -0.260 4.380 4.640 -0.000 0.000 0.197 156 D C 1.349 177.651 176.300 0.004 0.000 0.987 156 D CA 1.674 55.641 54.000 -0.056 0.000 0.829 156 D CB -0.526 40.318 40.800 0.072 0.000 0.961 156 D HN 0.846 nan 8.370 nan 0.000 0.460 157 W N 1.152 122.461 121.300 0.015 0.000 2.392 157 W HA 0.075 4.735 4.660 -0.000 0.000 0.279 157 W C 1.375 177.914 176.519 0.033 0.000 1.225 157 W CA 0.204 57.562 57.345 0.022 0.000 1.233 157 W CB -0.585 28.886 29.460 0.018 0.000 1.122 157 W HN -0.046 nan 8.180 nan 0.000 0.561 158 L N 1.188 122.213 121.223 -0.329 0.000 2.240 158 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 158 L C 2.765 179.606 176.870 -0.049 0.000 1.106 158 L CA 1.320 56.075 54.840 -0.141 0.000 0.793 158 L CB -0.692 41.219 42.059 -0.247 0.000 0.927 158 L HN 0.210 nan 8.230 nan 0.000 0.446 159 Q N 0.086 119.850 119.800 -0.060 0.000 2.269 159 Q HA 0.010 4.350 4.340 -0.000 0.000 0.201 159 Q C 2.319 178.337 176.000 0.030 0.000 0.946 159 Q CA 0.953 56.748 55.803 -0.013 0.000 0.877 159 Q CB -0.344 28.381 28.738 -0.022 0.000 0.963 159 Q HN 0.395 nan 8.270 nan 0.000 0.472 160 A N 2.095 124.948 122.820 0.055 0.000 2.139 160 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 160 A C 1.272 178.907 177.584 0.084 0.000 1.159 160 A CA 1.719 53.802 52.037 0.076 0.000 0.662 160 A CB -0.466 18.594 19.000 0.100 0.000 0.796 160 A HN 0.236 nan 8.150 nan 0.000 0.463 161 D N -0.094 120.353 120.400 0.078 0.000 2.350 161 D HA 0.067 4.707 4.640 -0.000 0.000 0.216 161 D C 2.023 178.388 176.300 0.108 0.000 0.968 161 D CA 0.932 54.983 54.000 0.085 0.000 0.894 161 D CB -0.274 40.556 40.800 0.050 0.000 0.909 161 D HN 0.485 nan 8.370 nan 0.000 0.520 162 A N 1.189 124.058 122.820 0.082 0.000 1.917 162 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 162 A C 2.089 179.733 177.584 0.100 0.000 1.182 162 A CA 1.728 53.811 52.037 0.078 0.000 0.633 162 A CB -0.589 18.441 19.000 0.050 0.000 0.819 162 A HN 0.231 nan 8.150 nan 0.000 0.448 163 A N -1.648 121.234 122.820 0.103 0.000 2.223 163 A HA 0.391 4.711 4.320 -0.000 0.000 0.222 163 A C 0.310 177.977 177.584 0.139 0.000 1.317 163 A CA -0.153 51.940 52.037 0.093 0.000 0.985 163 A CB -0.943 18.102 19.000 0.075 0.000 0.858 163 A HN 0.505 nan 8.150 nan 0.000 0.496 164 F N -1.030 118.934 119.950 0.023 0.000 2.425 164 F HA 0.436 4.963 4.527 -0.000 0.000 0.331 164 F C 1.292 177.105 175.800 0.022 0.000 1.085 164 F CA 0.427 58.442 58.000 0.025 0.000 1.028 164 F CB 1.248 40.268 39.000 0.035 0.000 1.177 164 F HN 0.103 nan 8.300 nan 0.000 0.487 165 T N 4.044 117.813 114.554 -1.308 0.000 4.210 165 T HA -0.195 4.155 4.350 -0.000 0.000 0.329 165 T C -0.528 173.954 174.700 -0.364 0.000 0.793 165 T CA 1.404 62.947 62.100 -0.928 0.000 1.935 165 T CB -1.516 66.903 68.868 -0.747 0.000 1.918 165 T HN 0.501 nan 8.240 nan 0.000 0.875 180 A N 0.628 123.478 122.820 0.050 0.000 2.586 180 A HA 0.555 4.875 4.320 -0.000 0.000 0.296 180 A C -1.962 175.619 177.584 -0.005 0.000 1.040 180 A CA -0.660 51.378 52.037 0.002 0.000 0.701 180 A CB 0.622 19.599 19.000 -0.038 0.000 1.277 180 A HN 0.361 nan 8.150 nan 0.000 0.413 181 F N 1.225 120.956 119.950 -0.365 0.000 2.412 181 F HA 0.690 5.216 4.527 -0.000 0.000 0.348 181 F C -0.446 175.111 175.800 -0.404 0.000 1.102 181 F CA -1.048 56.629 58.000 -0.539 0.000 1.196 181 F CB 1.163 39.416 39.000 -1.244 0.000 1.144 181 F HN 0.288 nan 8.300 nan 0.000 0.541 182 L N 8.341 129.016 121.223 -0.912 0.000 2.556 182 L HA 0.353 4.692 4.340 -0.000 0.000 0.243 182 L C -2.136 174.207 176.870 -0.879 0.000 1.331 182 L CA -1.579 52.808 54.840 -0.756 0.000 0.927 182 L CB 0.537 42.377 42.059 -0.365 0.000 1.219 182 L HN 0.444 nan 8.230 nan 0.000 0.490 183 P HA -0.001 nan 4.420 nan 0.000 0.265 183 P C -0.118 177.006 177.300 -0.293 0.000 1.187 183 P CA 0.214 62.900 63.100 -0.690 0.000 0.766 183 P CB 1.177 32.547 31.700 -0.550 0.000 0.820 184 E N 0.244 120.359 120.200 -0.141 0.000 2.447 184 E HA 0.064 4.414 4.350 -0.000 0.000 0.204 184 E C 0.486 177.073 176.600 -0.022 0.000 0.977 184 E CA 0.632 56.996 56.400 -0.059 0.000 0.950 184 E CB 0.526 30.204 29.700 -0.036 0.000 0.975 184 E HN 0.622 nan 8.360 nan 0.000 0.496 185 T N -2.669 111.879 114.554 -0.010 0.000 2.900 185 T HA 0.295 4.645 4.350 -0.000 0.000 0.303 185 T C 0.811 175.543 174.700 0.053 0.000 1.142 185 T CA -0.657 61.459 62.100 0.027 0.000 1.007 185 T CB 1.818 70.715 68.868 0.047 0.000 1.156 185 T HN -0.281 nan 8.240 nan 0.000 0.490 186 S N 0.921 116.670 115.700 0.081 0.000 2.419 186 S HA -0.130 4.340 4.470 -0.000 0.000 0.235 186 S C 1.392 176.109 174.600 0.194 0.000 1.019 186 S CA 1.444 59.735 58.200 0.151 0.000 0.982 186 S CB -0.469 62.840 63.200 0.181 0.000 0.789 186 S HN 0.780 nan 8.310 nan 0.000 0.490 187 D N 1.822 122.311 120.400 0.149 0.000 2.077 187 D HA 0.034 4.674 4.640 -0.000 0.000 0.196 187 D C 2.273 178.691 176.300 0.196 0.000 0.986 187 D CA 1.351 55.448 54.000 0.161 0.000 0.829 187 D CB -0.674 40.196 40.800 0.116 0.000 0.983 187 D HN 0.337 nan 8.370 nan 0.000 0.453 188 A N 0.623 123.550 122.820 0.178 0.000 1.948 188 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 188 A C 2.096 179.884 177.584 0.340 0.000 1.177 188 A CA 1.312 53.497 52.037 0.247 0.000 0.636 188 A CB -0.767 18.367 19.000 0.223 0.000 0.815 188 A HN 0.259 nan 8.150 nan 0.000 0.449 189 L N -0.275 121.087 121.223 0.233 0.000 1.948 189 L HA -0.041 4.299 4.340 -0.000 0.000 0.212 189 L C 2.750 179.828 176.870 0.345 0.000 1.074 189 L CA 2.525 57.491 54.840 0.211 0.000 0.753 189 L CB -1.234 40.780 42.059 -0.076 0.000 0.888 189 L HN 0.342 nan 8.230 nan 0.000 0.432 190 A N -0.698 122.350 122.820 0.380 0.000 1.958 190 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 190 A C 1.929 179.749 177.584 0.393 0.000 1.178 190 A CA 2.148 54.515 52.037 0.550 0.000 0.642 190 A CB -1.088 18.210 19.000 0.497 0.000 0.816 190 A HN 0.661 nan 8.150 nan 0.000 0.453 191 D N -1.415 119.177 120.400 0.321 0.000 2.106 191 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 191 D C 1.560 178.029 176.300 0.281 0.000 0.988 191 D CA 1.552 55.702 54.000 0.249 0.000 0.845 191 D CB -0.774 40.154 40.800 0.213 0.000 0.990 191 D HN 0.752 nan 8.370 nan 0.000 0.448 192 W N 0.265 121.658 121.300 0.156 0.000 2.331 192 W HA -0.306 4.354 4.660 -0.000 0.000 0.291 192 W C 2.212 178.929 176.519 0.329 0.000 1.214 192 W CA 1.260 58.690 57.345 0.141 0.000 1.228 192 W CB -0.279 29.094 29.460 -0.145 0.000 1.135 192 W HN 0.026 nan 8.180 nan 0.000 0.537 193 Y N 0.485 121.011 120.300 0.377 0.000 2.153 193 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 193 Y C 2.311 178.207 175.900 -0.007 0.000 1.127 193 Y CA 1.784 59.987 58.100 0.171 0.000 1.131 193 Y CB -1.366 37.263 38.460 0.281 0.000 0.995 193 Y HN 0.003 nan 8.280 nan 0.000 0.505 194 L N 0.937 122.200 121.223 0.068 0.000 2.103 194 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 194 L C 2.211 178.943 176.870 -0.229 0.000 1.080 194 L CA 2.461 57.240 54.840 -0.101 0.000 0.764 194 L CB -1.369 40.690 42.059 -0.000 0.000 0.890 194 L HN 0.272 nan 8.230 nan 0.000 0.435 195 A N -2.346 120.293 122.820 -0.301 0.000 2.072 195 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 195 A C 0.810 177.860 177.584 -0.890 0.000 1.156 195 A CA 0.672 52.361 52.037 -0.581 0.000 0.701 195 A CB -0.482 18.105 19.000 -0.688 0.000 0.816 195 A HN 0.688 nan 8.150 nan 0.000 0.458 196 H N -0.516 118.244 119.070 -0.516 0.000 2.336 196 H HA 0.176 4.731 4.556 -0.000 0.000 0.230 196 H C -2.062 173.082 175.328 -0.308 0.000 1.426 196 H CA -1.506 54.248 56.048 -0.491 0.000 1.359 196 H CB 0.420 29.670 29.762 -0.854 0.000 1.555 196 H HN 0.349 nan 8.280 nan 0.000 0.512 197 P HA -0.179 nan 4.420 nan 0.000 0.218 197 P C 1.156 178.434 177.300 -0.036 0.000 1.146 197 P CA 1.192 64.100 63.100 -0.320 0.000 0.813 197 P CB 0.636 32.194 31.700 -0.236 0.000 0.778 198 E N -0.477 119.737 120.200 0.024 0.000 2.479 198 E HA 0.255 4.605 4.350 -0.000 0.000 0.193 198 E C 0.705 177.402 176.600 0.161 0.000 1.049 198 E CA -0.296 56.155 56.400 0.086 0.000 0.870 198 E CB -0.490 29.232 29.700 0.035 0.000 0.944 198 E HN 0.151 nan 8.360 nan 0.000 0.492 199 A N -0.204 122.750 122.820 0.223 0.000 2.429 199 A HA 0.208 4.528 4.320 -0.000 0.000 0.242 199 A C 0.287 178.025 177.584 0.257 0.000 1.088 199 A CA 0.158 52.348 52.037 0.254 0.000 0.784 199 A CB 0.275 19.477 19.000 0.337 0.000 1.038 199 A HN 0.136 nan 8.150 nan 0.000 0.501 200 T N 2.396 117.069 114.554 0.197 0.000 2.733 200 T HA 0.444 4.794 4.350 -0.000 0.000 0.294 200 T C -0.118 174.611 174.700 0.048 0.000 0.956 200 T CA -0.017 62.175 62.100 0.152 0.000 0.987 200 T CB -0.044 68.914 68.868 0.151 0.000 0.920 200 T HN 0.395 nan 8.240 nan 0.000 0.470 201 L N 5.227 126.453 121.223 0.006 0.000 2.278 201 L HA 0.478 4.818 4.340 -0.000 0.000 0.287 201 L C -0.056 176.755 176.870 -0.098 0.000 1.072 201 L CA -0.445 54.333 54.840 -0.103 0.000 0.819 201 L CB 0.417 42.372 42.059 -0.174 0.000 1.176 201 L HN 0.505 nan 8.230 nan 0.000 0.435 202 I N 2.619 123.112 120.570 -0.128 0.000 2.354 202 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 202 I C 0.644 176.793 176.117 0.053 0.000 0.989 202 I CA -0.013 61.269 61.300 -0.030 0.000 1.188 202 I CB 1.890 39.922 38.000 0.053 0.000 1.342 202 I HN 0.771 nan 8.210 nan 0.000 0.457 203 A N 4.976 127.801 122.820 0.009 0.000 2.579 203 A HA 0.448 4.768 4.320 -0.000 0.000 0.220 203 A C 1.834 179.411 177.584 -0.011 0.000 2.352 203 A CA 0.793 52.829 52.037 -0.003 0.000 1.183 203 A CB -1.203 17.787 19.000 -0.018 0.000 1.311 203 A HN 0.700 nan 8.150 nan 0.000 0.534 204 G N -1.654 107.130 108.800 -0.027 0.000 2.395 204 G HA2 0.325 4.285 3.960 -0.000 0.000 0.214 204 G HA3 0.325 4.285 3.960 -0.000 0.000 0.214 204 G C 1.281 176.152 174.900 -0.048 0.000 1.177 204 G CA 1.185 46.261 45.100 -0.039 0.000 0.794 204 G HN 2.030 nan 8.290 nan 0.000 0.532 205 G N -0.873 107.892 108.800 -0.058 0.000 2.132 205 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.234 205 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.234 205 G C 1.180 176.016 174.900 -0.107 0.000 0.989 205 G CA 1.388 46.436 45.100 -0.087 0.000 0.676 205 G HN 1.324 nan 8.290 nan 0.000 0.522 206 T N -3.683 110.822 114.554 -0.081 0.000 3.088 206 T HA 0.194 4.544 4.350 -0.000 0.000 0.259 206 T C 1.372 176.014 174.700 -0.098 0.000 1.122 206 T CA 1.577 63.636 62.100 -0.068 0.000 1.095 206 T CB 0.266 69.120 68.868 -0.023 0.000 0.930 206 T HN 0.093 nan 8.240 nan 0.000 0.508 207 D N 0.276 120.582 120.400 -0.156 0.000 2.388 207 D HA 0.217 4.857 4.640 -0.000 0.000 0.208 207 D C 2.019 178.008 176.300 -0.518 0.000 1.035 207 D CA 0.223 54.105 54.000 -0.196 0.000 0.875 207 D CB 0.604 41.335 40.800 -0.116 0.000 0.984 207 D HN 0.272 nan 8.370 nan 0.000 0.508 208 V N 1.049 120.578 119.914 -0.641 0.000 2.649 208 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 208 V C 2.292 178.016 176.094 -0.617 0.000 1.054 208 V CA 1.493 63.126 62.300 -1.112 0.000 1.073 208 V CB -0.169 31.229 31.823 -0.709 0.000 0.699 208 V HN 0.151 nan 8.190 nan 0.000 0.463 209 S N 0.929 116.464 115.700 -0.276 0.000 2.399 209 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 209 S C 1.898 176.494 174.600 -0.007 0.000 1.022 209 S CA 1.159 59.306 58.200 -0.087 0.000 0.983 209 S CB -0.512 62.661 63.200 -0.044 0.000 0.803 209 S HN 0.514 nan 8.310 nan 0.000 0.480 210 L N -0.592 120.621 121.223 -0.017 0.000 2.187 210 L HA -0.098 4.242 4.340 -0.000 0.000 0.213 210 L C 2.456 179.495 176.870 0.281 0.000 1.100 210 L CA 1.089 55.998 54.840 0.114 0.000 0.765 210 L CB -0.898 41.236 42.059 0.126 0.000 0.904 210 L HN 0.394 nan 8.230 nan 0.000 0.437 211 W N 0.260 121.580 121.300 0.034 0.000 2.355 211 W HA -0.151 4.509 4.660 -0.000 0.000 0.309 211 W C 2.662 179.200 176.519 0.032 0.000 1.206 211 W CA 1.336 58.700 57.345 0.033 0.000 1.284 211 W CB -1.328 28.153 29.460 0.036 0.000 1.145 211 W HN 0.124 nan 8.180 nan 0.000 0.502 212 V N 0.048 120.126 119.914 0.274 0.000 2.535 212 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 212 V C 1.986 178.150 176.094 0.117 0.000 1.045 212 V CA 2.645 65.045 62.300 0.167 0.000 1.058 212 V CB -0.865 31.036 31.823 0.131 0.000 0.689 212 V HN 0.208 nan 8.190 nan 0.000 0.461 213 T N -2.982 111.635 114.554 0.105 0.000 3.035 213 T HA 0.113 4.463 4.350 -0.000 0.000 0.259 213 T C 1.824 176.570 174.700 0.076 0.000 1.078 213 T CA 0.825 62.970 62.100 0.075 0.000 1.132 213 T CB -0.065 68.837 68.868 0.057 0.000 0.900 213 T HN 0.472 nan 8.240 nan 0.000 0.480 214 K N 0.907 121.365 120.400 0.097 0.000 2.344 214 K HA 0.465 4.785 4.320 -0.000 0.000 0.200 214 K C 2.483 179.130 176.600 0.078 0.000 1.132 214 K CA 0.822 57.158 56.287 0.082 0.000 0.935 214 K CB -0.215 32.334 32.500 0.082 0.000 1.089 214 K HN 0.340 nan 8.250 nan 0.000 0.496 215 A N 1.561 124.440 122.820 0.099 0.000 2.206 215 A HA 0.085 4.405 4.320 -0.000 0.000 0.211 215 A C 1.038 178.656 177.584 0.058 0.000 1.158 215 A CA 0.304 52.380 52.037 0.065 0.000 0.761 215 A CB -0.568 18.459 19.000 0.046 0.000 0.801 215 A HN 0.381 nan 8.150 nan 0.000 0.473 216 L N -1.611 119.658 121.223 0.076 0.000 3.843 216 L HA -0.244 4.096 4.340 -0.000 0.000 0.411 216 L C 0.800 177.708 176.870 0.063 0.000 1.205 216 L CA 0.229 55.108 54.840 0.065 0.000 0.945 216 L CB -1.564 40.522 42.059 0.046 0.000 1.929 216 L HN 0.552 nan 8.230 nan 0.000 0.934 217 R N 0.534 121.085 120.500 0.085 0.000 2.583 217 R HA 0.362 4.702 4.340 -0.000 0.000 0.268 217 R C 0.030 176.388 176.300 0.095 0.000 1.101 217 R CA -0.341 55.804 56.100 0.074 0.000 1.180 217 R CB 0.820 31.160 30.300 0.066 0.000 1.128 217 R HN 0.132 nan 8.270 nan 0.000 0.568 218 D N 1.700 122.149 120.400 0.082 0.000 2.863 218 D HA 0.240 4.880 4.640 -0.000 0.000 0.245 218 D C -1.497 174.857 176.300 0.090 0.000 1.211 218 D CA -0.455 53.595 54.000 0.084 0.000 0.888 218 D CB 1.149 41.985 40.800 0.060 0.000 1.483 218 D HN 0.323 nan 8.370 nan 0.000 0.533 219 L N 4.396 125.683 121.223 0.106 0.000 2.298 219 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 219 L C -2.213 174.706 176.870 0.082 0.000 1.013 219 L CA -1.589 53.318 54.840 0.112 0.000 0.824 219 L CB 1.648 43.797 42.059 0.149 0.000 1.221 219 L HN 0.199 nan 8.230 nan 0.000 0.418 220 P HA 0.391 nan 4.420 nan 0.000 0.287 220 P C -1.039 176.308 177.300 0.079 0.000 1.290 220 P CA -0.824 62.316 63.100 0.066 0.000 0.889 220 P CB 1.197 32.931 31.700 0.058 0.000 1.190 221 E N -0.836 119.415 120.200 0.085 0.000 3.117 221 E HA -0.049 4.301 4.350 -0.000 0.000 0.156 221 E C -1.692 175.000 176.600 0.154 0.000 1.699 221 E CA 0.253 56.731 56.400 0.130 0.000 0.728 221 E CB -1.232 28.534 29.700 0.110 0.000 1.091 221 E HN 0.164 nan 8.360 nan 0.000 0.369 222 V N 1.476 121.454 119.914 0.106 0.000 2.925 222 V HA 0.964 5.083 4.120 -0.000 0.000 0.311 222 V C -0.159 175.812 176.094 -0.205 0.000 1.104 222 V CA -0.182 62.083 62.300 -0.058 0.000 0.954 222 V CB 2.123 33.813 31.823 -0.222 0.000 1.022 222 V HN 0.698 nan 8.190 nan 0.000 0.427 223 A N 3.106 125.712 122.820 -0.356 0.000 2.427 223 A HA 0.859 5.179 4.320 -0.000 0.000 0.298 223 A C -1.355 175.894 177.584 -0.558 0.000 1.036 223 A CA -0.396 51.327 52.037 -0.523 0.000 0.701 223 A CB 1.104 19.812 19.000 -0.487 0.000 1.250 223 A HN 0.640 nan 8.150 nan 0.000 0.412 224 F N 2.933 122.732 119.950 -0.251 0.000 2.371 224 F HA 0.274 4.801 4.527 -0.000 0.000 0.363 224 F C 1.286 176.959 175.800 -0.211 0.000 1.122 224 F CA -0.482 57.410 58.000 -0.181 0.000 1.129 224 F CB 1.328 40.264 39.000 -0.106 0.000 1.173 224 F HN 0.536 nan 8.300 nan 0.000 0.489 225 L N 1.509 122.723 121.223 -0.016 0.000 2.376 225 L HA -0.098 4.241 4.340 -0.000 0.000 0.219 225 L C 2.050 178.884 176.870 -0.061 0.000 1.133 225 L CA 0.612 55.400 54.840 -0.087 0.000 0.816 225 L CB -0.721 41.275 42.059 -0.105 0.000 0.933 225 L HN 0.627 nan 8.230 nan 0.000 0.449 226 S N -1.889 113.774 115.700 -0.062 0.000 2.595 226 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 226 S C 1.218 175.643 174.600 -0.291 0.000 0.974 226 S CA 0.457 58.544 58.200 -0.187 0.000 0.942 226 S CB -0.594 62.452 63.200 -0.257 0.000 0.766 226 S HN 0.504 nan 8.310 nan 0.000 0.536 227 H N -0.189 118.822 119.070 -0.100 0.000 2.568 227 H HA 0.309 4.865 4.556 -0.000 0.000 0.302 227 H C -0.547 174.724 175.328 -0.095 0.000 1.065 227 H CA -0.408 55.582 56.048 -0.097 0.000 1.140 227 H CB -0.188 29.509 29.762 -0.109 0.000 1.474 227 H HN 0.377 nan 8.280 nan 0.000 0.545 228 C N 2.304 121.594 119.300 -0.017 0.000 2.250 228 C HA 0.140 4.600 4.460 -0.000 0.000 0.380 228 C C 1.817 176.797 174.990 -0.016 0.000 1.075 228 C CA -0.846 58.160 59.018 -0.021 0.000 1.577 228 C CB -0.361 27.356 27.740 -0.038 0.000 1.608 228 C HN 0.529 nan 8.230 nan 0.000 0.477 229 K N 1.648 122.042 120.400 -0.009 0.000 2.127 229 K HA -0.234 4.086 4.320 -0.000 0.000 0.212 229 K C 1.514 178.109 176.600 -0.009 0.000 1.050 229 K CA 2.163 58.442 56.287 -0.014 0.000 0.929 229 K CB -0.104 32.392 32.500 -0.005 0.000 0.715 229 K HN 0.761 nan 8.250 nan 0.000 0.457 230 D N 0.664 121.065 120.400 0.002 0.000 2.378 230 D HA -0.133 4.507 4.640 -0.000 0.000 0.227 230 D C 1.499 177.808 176.300 0.016 0.000 1.012 230 D CA 0.543 54.549 54.000 0.010 0.000 0.905 230 D CB -0.148 40.665 40.800 0.022 0.000 0.895 230 D HN 0.231 nan 8.370 nan 0.000 0.532 231 L N -0.634 120.595 121.223 0.010 0.000 2.556 231 L HA 0.328 4.668 4.340 -0.000 0.000 0.226 231 L C 1.096 177.964 176.870 -0.004 0.000 1.089 231 L CA 0.250 55.103 54.840 0.023 0.000 0.864 231 L CB 0.231 42.307 42.059 0.029 0.000 1.067 231 L HN 0.038 nan 8.230 nan 0.000 0.477 232 A N -0.041 122.765 122.820 -0.023 0.000 3.106 232 A HA 0.366 4.686 4.320 -0.000 0.000 0.306 232 A C -0.352 177.201 177.584 -0.052 0.000 1.192 232 A CA -0.372 51.639 52.037 -0.043 0.000 0.994 232 A CB -0.108 18.861 19.000 -0.052 0.000 1.107 232 A HN 0.180 nan 8.150 nan 0.000 0.585 233 Q N 0.025 119.793 119.800 -0.052 0.000 2.306 233 Q HA 0.560 4.900 4.340 -0.000 0.000 0.265 233 Q C -0.806 175.134 176.000 -0.099 0.000 1.022 233 Q CA -0.295 55.472 55.803 -0.060 0.000 0.853 233 Q CB 2.153 30.870 28.738 -0.035 0.000 1.327 233 Q HN 0.545 nan 8.270 nan 0.000 0.449 234 I N 2.181 122.680 120.570 -0.119 0.000 2.330 234 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 234 I C -0.013 176.055 176.117 -0.082 0.000 1.001 234 I CA -0.467 60.715 61.300 -0.196 0.000 1.193 234 I CB 1.077 38.870 38.000 -0.345 0.000 1.345 234 I HN 0.201 nan 8.210 nan 0.000 0.461 235 R N 4.609 125.086 120.500 -0.039 0.000 2.480 235 R HA 0.316 4.656 4.340 -0.000 0.000 0.306 235 R C -0.586 175.772 176.300 0.097 0.000 0.958 235 R CA -0.725 55.391 56.100 0.027 0.000 0.861 235 R CB 2.341 32.645 30.300 0.006 0.000 1.171 235 R HN 0.545 nan 8.270 nan 0.000 0.445 236 E N 1.818 122.095 120.200 0.128 0.000 2.259 236 E HA 0.119 4.469 4.350 -0.000 0.000 0.281 236 E C -0.741 175.852 176.600 -0.012 0.000 1.037 236 E CA 0.118 56.580 56.400 0.103 0.000 0.854 236 E CB 1.083 30.866 29.700 0.137 0.000 1.051 236 E HN 0.331 nan 8.360 nan 0.000 0.409 237 T N 4.040 118.539 114.554 -0.091 0.000 2.940 237 T HA 0.327 4.676 4.350 -0.000 0.000 0.288 237 T C -1.792 172.841 174.700 -0.111 0.000 1.045 237 T CA -1.691 60.362 62.100 -0.079 0.000 1.018 237 T CB 1.345 70.177 68.868 -0.060 0.000 1.151 237 T HN 0.465 nan 8.240 nan 0.000 0.529 238 P HA -0.027 nan 4.420 nan 0.000 0.217 238 P C -0.229 177.022 177.300 -0.082 0.000 1.150 238 P CA 1.269 64.328 63.100 -0.068 0.000 0.832 238 P CB 0.010 31.684 31.700 -0.044 0.000 0.787 239 D N -1.332 119.020 120.400 -0.080 0.000 2.739 239 D HA 0.513 5.153 4.640 -0.000 0.000 0.335 239 D C 0.509 176.766 176.300 -0.072 0.000 1.216 239 D CA -0.614 53.345 54.000 -0.068 0.000 0.808 239 D CB 0.476 41.252 40.800 -0.038 0.000 1.121 239 D HN 0.264 nan 8.370 nan 0.000 0.499 240 G N -0.471 108.240 108.800 -0.149 0.000 2.384 240 G HA2 0.046 4.006 3.960 -0.000 0.000 0.668 240 G HA3 0.046 4.006 3.960 -0.000 0.000 0.668 240 G C -1.527 173.262 174.900 -0.186 0.000 1.280 240 G CA -1.290 43.733 45.100 -0.128 0.000 0.992 240 G HN 0.131 nan 8.290 nan 0.000 0.512 241 Y N -0.111 120.246 120.300 0.095 0.000 2.420 241 Y HA 0.598 5.148 4.550 -0.000 0.000 0.334 241 Y C 1.080 176.959 175.900 -0.034 0.000 1.094 241 Y CA 0.134 58.267 58.100 0.055 0.000 1.126 241 Y CB 2.332 40.882 38.460 0.150 0.000 1.217 241 Y HN 0.899 nan 8.280 nan 0.000 0.462 242 G N 3.214 112.067 108.800 0.089 0.000 2.428 242 G HA2 0.576 4.536 3.960 -0.000 0.000 0.320 242 G HA3 0.576 4.536 3.960 -0.000 0.000 0.320 242 G C -0.972 173.885 174.900 -0.072 0.000 1.098 242 G CA -0.468 44.631 45.100 -0.001 0.000 0.984 242 G HN 0.572 nan 8.290 nan 0.000 0.444 243 I N 2.923 123.442 120.570 -0.085 0.000 2.328 243 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 243 I C 1.158 177.227 176.117 -0.081 0.000 1.012 243 I CA -0.697 60.528 61.300 -0.126 0.000 1.195 243 I CB 1.678 39.589 38.000 -0.148 0.000 1.350 243 I HN 0.486 nan 8.210 nan 0.000 0.464 244 G N 3.641 112.396 108.800 -0.075 0.000 2.554 244 G HA2 0.287 4.247 3.960 -0.000 0.000 0.238 244 G HA3 0.287 4.247 3.960 -0.000 0.000 0.238 244 G C 0.968 175.849 174.900 -0.031 0.000 1.259 244 G CA 0.096 45.172 45.100 -0.040 0.000 0.843 244 G HN 0.821 nan 8.290 nan 0.000 0.582 245 A N 1.250 124.071 122.820 0.002 0.000 1.969 245 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 245 A C 2.331 179.915 177.584 0.000 0.000 1.169 245 A CA 1.795 53.839 52.037 0.012 0.000 0.635 245 A CB -0.304 18.732 19.000 0.060 0.000 0.810 245 A HN 1.087 nan 8.150 nan 0.000 0.445 246 G N -0.749 108.047 108.800 -0.007 0.000 3.181 246 G HA2 0.360 4.320 3.960 -0.000 0.000 0.219 246 G HA3 0.360 4.320 3.960 -0.000 0.000 0.219 246 G C 0.219 175.090 174.900 -0.047 0.000 1.182 246 G CA -0.006 45.078 45.100 -0.027 0.000 0.791 246 G HN 0.211 nan 8.290 nan 0.000 0.537 247 V N 2.044 121.925 119.914 -0.055 0.000 2.614 247 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 247 V C 1.051 177.101 176.094 -0.074 0.000 1.049 247 V CA -0.171 62.084 62.300 -0.075 0.000 1.038 247 V CB 1.118 32.881 31.823 -0.101 0.000 0.980 247 V HN 0.419 nan 8.190 nan 0.000 0.481 248 T N 3.921 118.431 114.554 -0.073 0.000 2.897 248 T HA 0.319 4.669 4.350 -0.000 0.000 0.294 248 T C 1.368 176.013 174.700 -0.092 0.000 1.004 248 T CA -0.711 61.347 62.100 -0.070 0.000 1.106 248 T CB 0.797 69.629 68.868 -0.059 0.000 0.949 248 T HN 0.345 nan 8.240 nan 0.000 0.520 249 I N 1.835 122.332 120.570 -0.122 0.000 2.248 249 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 249 I C 2.872 178.913 176.117 -0.127 0.000 1.107 249 I CA 1.856 63.030 61.300 -0.211 0.000 1.373 249 I CB -2.031 35.758 38.000 -0.352 0.000 1.055 249 I HN 0.896 nan 8.210 nan 0.000 0.418 250 A N 1.290 124.068 122.820 -0.070 0.000 1.851 250 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 250 A C 2.674 180.234 177.584 -0.040 0.000 1.195 250 A CA 2.545 54.555 52.037 -0.044 0.000 0.622 250 A CB -1.035 17.947 19.000 -0.029 0.000 0.831 250 A HN 0.431 nan 8.150 nan 0.000 0.444 251 A N -0.459 122.335 122.820 -0.042 0.000 1.869 251 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 251 A C 2.132 179.711 177.584 -0.008 0.000 1.203 251 A CA 2.105 54.125 52.037 -0.028 0.000 0.638 251 A CB -0.939 18.033 19.000 -0.047 0.000 0.831 251 A HN 1.007 nan 8.150 nan 0.000 0.450 252 L N -0.244 120.952 121.223 -0.045 0.000 2.263 252 L HA -0.145 4.195 4.340 -0.000 0.000 0.216 252 L C 2.294 179.185 176.870 0.035 0.000 1.111 252 L CA 2.320 57.151 54.840 -0.016 0.000 0.773 252 L CB -0.675 41.334 42.059 -0.084 0.000 0.906 252 L HN 0.497 nan 8.230 nan 0.000 0.439 253 R N -0.972 119.520 120.500 -0.013 0.000 2.073 253 R HA -0.041 4.299 4.340 -0.000 0.000 0.229 253 R C 2.217 178.522 176.300 0.009 0.000 1.120 253 R CA 1.143 57.235 56.100 -0.013 0.000 0.967 253 R CB -0.276 30.006 30.300 -0.030 0.000 0.862 253 R HN 0.475 nan 8.270 nan 0.000 0.436 254 A N 0.551 123.382 122.820 0.018 0.000 1.858 254 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 254 A C 1.997 179.595 177.584 0.024 0.000 1.190 254 A CA 1.354 53.398 52.037 0.011 0.000 0.617 254 A CB -0.892 18.115 19.000 0.011 0.000 0.827 254 A HN 0.542 nan 8.150 nan 0.000 0.443 255 F N 1.176 121.075 119.950 -0.086 0.000 2.202 255 F HA -0.091 4.436 4.527 -0.000 0.000 0.301 255 F C 2.212 177.943 175.800 -0.115 0.000 1.082 255 F CA 1.342 59.275 58.000 -0.113 0.000 1.313 255 F CB -0.167 38.752 39.000 -0.135 0.000 1.024 255 F HN 0.215 nan 8.300 nan 0.000 0.495 256 A N -0.402 122.375 122.820 -0.072 0.000 2.167 256 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 256 A C 1.996 179.474 177.584 -0.178 0.000 1.151 256 A CA 1.036 52.984 52.037 -0.148 0.000 0.735 256 A CB -0.806 18.220 19.000 0.043 0.000 0.802 256 A HN 0.529 nan 8.150 nan 0.000 0.467 257 E N -0.090 120.015 120.200 -0.159 0.000 2.130 257 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 257 E C 1.942 178.450 176.600 -0.154 0.000 0.998 257 E CA 1.367 57.695 56.400 -0.120 0.000 0.806 257 E CB -0.266 29.378 29.700 -0.092 0.000 0.738 257 E HN 0.576 nan 8.360 nan 0.000 0.459 258 G N 0.611 109.265 108.800 -0.244 0.000 2.551 258 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.214 258 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.214 258 G C -0.862 173.886 174.900 -0.253 0.000 1.250 258 G CA 0.540 45.496 45.100 -0.239 0.000 0.825 258 G HN 0.293 nan 8.290 nan 0.000 0.549 259 P HA 0.141 nan 4.420 nan 0.000 0.245 259 P C -0.240 176.704 177.300 -0.593 0.000 1.206 259 P CA 0.764 63.598 63.100 -0.444 0.000 0.781 259 P CB 0.391 31.774 31.700 -0.528 0.000 0.994 260 H N -1.397 117.578 119.070 -0.158 0.000 2.806 260 H HA 0.200 4.756 4.556 -0.000 0.000 0.218 260 H C -2.021 173.262 175.328 -0.075 0.000 1.392 260 H CA -1.322 54.676 56.048 -0.083 0.000 1.358 260 H CB 1.012 30.737 29.762 -0.062 0.000 1.944 260 H HN -0.010 nan 8.280 nan 0.000 0.530 261 P HA -0.170 nan 4.420 nan 0.000 0.215 261 P C 1.643 178.963 177.300 0.033 0.000 1.157 261 P CA 1.827 64.928 63.100 0.002 0.000 0.874 261 P CB 0.317 32.010 31.700 -0.012 0.000 0.790 262 A N -0.557 122.296 122.820 0.056 0.000 1.908 262 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 262 A C 2.211 179.822 177.584 0.045 0.000 1.181 262 A CA 1.681 53.751 52.037 0.056 0.000 0.627 262 A CB -1.720 17.317 19.000 0.062 0.000 0.818 262 A HN 0.163 nan 8.150 nan 0.000 0.445 263 L N -0.175 121.074 121.223 0.044 0.000 2.042 263 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 263 L C 2.709 179.587 176.870 0.013 0.000 1.076 263 L CA 2.262 57.108 54.840 0.011 0.000 0.749 263 L CB -0.870 41.177 42.059 -0.020 0.000 0.893 263 L HN 0.369 nan 8.230 nan 0.000 0.432 264 A N -0.612 122.219 122.820 0.018 0.000 1.883 264 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 264 A C 2.371 179.963 177.584 0.014 0.000 1.186 264 A CA 1.683 53.723 52.037 0.004 0.000 0.624 264 A CB -1.662 17.332 19.000 -0.011 0.000 0.822 264 A HN 0.537 nan 8.150 nan 0.000 0.444 265 G N 0.233 109.047 108.800 0.024 0.000 2.672 265 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 265 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 265 G C 1.467 176.399 174.900 0.053 0.000 1.238 265 G CA 1.566 46.688 45.100 0.036 0.000 0.791 265 G HN 0.518 nan 8.290 nan 0.000 0.606 266 L N 0.981 122.243 121.223 0.065 0.000 1.934 266 L HA -0.077 4.263 4.340 -0.000 0.000 0.227 266 L C 2.794 179.721 176.870 0.095 0.000 1.084 266 L CA 1.815 56.708 54.840 0.087 0.000 0.790 266 L CB -1.086 41.019 42.059 0.076 0.000 0.896 266 L HN 0.310 nan 8.230 nan 0.000 0.437 267 L N -0.268 120.987 121.223 0.052 0.000 2.468 267 L HA -0.276 4.064 4.340 -0.000 0.000 0.225 267 L C 2.650 179.578 176.870 0.096 0.000 1.139 267 L CA 1.216 56.083 54.840 0.044 0.000 0.792 267 L CB -0.815 41.190 42.059 -0.090 0.000 0.916 267 L HN 0.435 nan 8.230 nan 0.000 0.446 268 R N 1.096 121.640 120.500 0.074 0.000 2.115 268 R HA -0.092 4.247 4.340 -0.000 0.000 0.230 268 R C 1.299 177.655 176.300 0.093 0.000 1.111 268 R CA 1.049 57.185 56.100 0.060 0.000 0.976 268 R CB 0.105 30.422 30.300 0.029 0.000 0.870 268 R HN 0.353 nan 8.270 nan 0.000 0.445 269 R N -0.271 120.304 120.500 0.125 0.000 2.893 269 R HA 0.096 4.436 4.340 -0.000 0.000 0.317 269 R C -0.940 175.470 176.300 0.184 0.000 1.239 269 R CA -0.286 55.894 56.100 0.134 0.000 1.128 269 R CB 0.156 30.532 30.300 0.126 0.000 1.377 269 R HN 0.023 nan 8.270 nan 0.000 0.583 270 F N 1.388 121.356 119.950 0.030 0.000 2.332 270 F HA 0.437 4.964 4.527 -0.000 0.000 0.368 270 F C 0.721 176.533 175.800 0.020 0.000 1.110 270 F CA -0.271 57.746 58.000 0.028 0.000 1.087 270 F CB 0.381 39.395 39.000 0.024 0.000 1.235 270 F HN 0.349 nan 8.300 nan 0.000 0.470 271 A N 3.126 125.893 122.820 -0.089 0.000 5.584 271 A HA -0.178 4.142 4.320 -0.000 0.000 0.303 271 A C 0.255 177.866 177.584 0.045 0.000 1.923 271 A CA 1.129 53.136 52.037 -0.050 0.000 0.717 271 A CB -2.091 16.878 19.000 -0.050 0.000 1.281 271 A HN 1.622 nan 8.150 nan 0.000 0.379 272 S N -1.728 114.002 115.700 0.049 0.000 2.709 272 S HA 0.649 5.119 4.470 -0.000 0.000 0.302 272 S C 0.419 175.046 174.600 0.044 0.000 1.127 272 S CA 0.603 58.825 58.200 0.037 0.000 0.905 272 S CB 1.788 64.990 63.200 0.004 0.000 1.151 272 S HN 1.220 nan 8.310 nan 0.000 0.510 273 E N 0.746 120.959 120.200 0.022 0.000 2.049 273 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 273 E C 1.875 178.477 176.600 0.003 0.000 1.007 273 E CA 1.987 58.395 56.400 0.012 0.000 0.809 273 E CB -0.599 29.099 29.700 -0.003 0.000 0.749 273 E HN 0.707 nan 8.360 nan 0.000 0.450 274 Q N -0.899 118.893 119.800 -0.013 0.000 2.248 274 Q HA -0.117 4.223 4.340 -0.000 0.000 0.208 274 Q C 2.000 177.992 176.000 -0.013 0.000 0.984 274 Q CA 1.486 57.274 55.803 -0.026 0.000 0.875 274 Q CB 0.042 28.753 28.738 -0.045 0.000 0.910 274 Q HN 0.205 nan 8.270 nan 0.000 0.433 275 V N -0.815 119.106 119.914 0.013 0.000 2.581 275 V HA -0.059 4.061 4.120 -0.000 0.000 0.240 275 V C 1.959 178.092 176.094 0.065 0.000 1.054 275 V CA 0.874 63.193 62.300 0.031 0.000 1.076 275 V CB -0.268 31.576 31.823 0.036 0.000 0.748 275 V HN 0.191 nan 8.190 nan 0.000 0.474 276 R N 0.141 120.700 120.500 0.097 0.000 2.133 276 R HA -0.220 4.120 4.340 -0.000 0.000 0.247 276 R C 2.252 178.566 176.300 0.023 0.000 1.151 276 R CA 1.528 57.686 56.100 0.097 0.000 0.971 276 R CB -0.254 30.097 30.300 0.085 0.000 0.866 276 R HN 0.472 nan 8.270 nan 0.000 0.447 277 Q N -0.198 119.604 119.800 0.003 0.000 2.508 277 Q HA -0.089 4.251 4.340 -0.000 0.000 0.214 277 Q C 1.764 177.744 176.000 -0.034 0.000 0.979 277 Q CA 1.389 57.178 55.803 -0.022 0.000 0.911 277 Q CB 0.495 29.215 28.738 -0.031 0.000 0.969 277 Q HN 0.447 nan 8.270 nan 0.000 0.504 278 V N -5.522 114.378 119.914 -0.023 0.000 3.332 278 V HA 0.457 4.577 4.120 -0.000 0.000 0.263 278 V C 0.784 176.866 176.094 -0.020 0.000 1.562 278 V CA 0.225 62.500 62.300 -0.042 0.000 1.040 278 V CB -0.217 31.570 31.823 -0.061 0.000 0.857 278 V HN -0.007 nan 8.190 nan 0.000 0.428 279 A N 2.424 125.257 122.820 0.022 0.000 2.531 279 A HA 0.540 4.860 4.320 -0.000 0.000 0.236 279 A C 0.640 178.237 177.584 0.022 0.000 1.062 279 A CA 1.048 53.121 52.037 0.060 0.000 0.760 279 A CB -0.259 18.852 19.000 0.184 0.000 0.995 279 A HN 1.194 nan 8.150 nan 0.000 0.501 280 T N -0.391 114.176 114.554 0.022 0.000 2.932 280 T HA 0.511 4.861 4.350 -0.000 0.000 0.289 280 T C 0.808 175.511 174.700 0.005 0.000 1.039 280 T CA -0.213 61.882 62.100 -0.010 0.000 1.024 280 T CB 1.042 69.904 68.868 -0.010 0.000 1.090 280 T HN 0.594 nan 8.240 nan 0.000 0.496 281 I N 1.375 121.928 120.570 -0.029 0.000 2.761 281 I HA 0.192 4.362 4.170 -0.000 0.000 0.261 281 I C 2.162 178.299 176.117 0.034 0.000 1.198 281 I CA 1.248 62.537 61.300 -0.019 0.000 1.482 281 I CB -0.630 37.336 38.000 -0.057 0.000 1.100 281 I HN 0.931 nan 8.210 nan 0.000 0.445 282 G N 0.437 109.253 108.800 0.027 0.000 2.639 282 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 282 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 282 G C 1.629 176.584 174.900 0.092 0.000 1.267 282 G CA 0.791 45.922 45.100 0.050 0.000 0.801 282 G HN 0.493 nan 8.290 nan 0.000 0.592 283 G N 0.886 109.734 108.800 0.080 0.000 2.649 283 G HA2 -0.440 3.519 3.960 -0.000 0.000 0.220 283 G HA3 -0.440 3.519 3.960 -0.000 0.000 0.220 283 G C 1.725 176.715 174.900 0.150 0.000 1.189 283 G CA 1.406 46.564 45.100 0.096 0.000 0.777 283 G HN 0.539 nan 8.290 nan 0.000 0.602 284 N N 0.259 119.058 118.700 0.165 0.000 2.132 284 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 284 N C 2.312 177.975 175.510 0.254 0.000 1.015 284 N CA 1.440 54.629 53.050 0.231 0.000 0.864 284 N CB -0.149 38.504 38.487 0.276 0.000 1.006 284 N HN 0.472 nan 8.380 nan 0.000 0.430 285 I N 0.570 121.289 120.570 0.248 0.000 2.339 285 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 285 I C 2.492 178.861 176.117 0.419 0.000 1.096 285 I CA 0.601 62.116 61.300 0.357 0.000 1.408 285 I CB -0.275 37.885 38.000 0.267 0.000 1.092 285 I HN 0.074 nan 8.210 nan 0.000 0.423 286 A N 0.998 124.006 122.820 0.315 0.000 1.908 286 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 286 A C 2.023 179.782 177.584 0.291 0.000 1.181 286 A CA 2.399 54.635 52.037 0.331 0.000 0.627 286 A CB -0.942 18.199 19.000 0.235 0.000 0.818 286 A HN 0.472 nan 8.150 nan 0.000 0.445 287 N N -0.626 118.226 118.700 0.254 0.000 2.192 287 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 287 N C 1.204 176.867 175.510 0.256 0.000 1.013 287 N CA 2.094 55.285 53.050 0.236 0.000 0.863 287 N CB -0.368 38.238 38.487 0.198 0.000 0.990 287 N HN 0.837 nan 8.380 nan 0.000 0.430 288 G N -1.223 107.776 108.800 0.331 0.000 2.143 288 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 288 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 288 G C 0.017 175.075 174.900 0.264 0.000 0.991 288 G CA 0.674 45.998 45.100 0.373 0.000 0.689 288 G HN 0.647 nan 8.290 nan 0.000 0.522 289 S N 0.823 116.647 115.700 0.207 0.000 2.565 289 S HA 0.545 5.015 4.470 -0.000 0.000 0.276 289 S C -0.191 174.453 174.600 0.073 0.000 1.326 289 S CA -0.521 57.773 58.200 0.157 0.000 1.045 289 S CB 1.278 64.559 63.200 0.136 0.000 0.918 289 S HN 0.161 nan 8.310 nan 0.000 0.505 290 P HA 0.109 nan 4.420 nan 0.000 0.245 290 P C 0.538 177.834 177.300 -0.006 0.000 1.212 290 P CA 0.557 63.654 63.100 -0.004 0.000 0.774 290 P CB -0.158 31.549 31.700 0.012 0.000 0.999 291 I N -2.360 118.222 120.570 0.019 0.000 4.154 291 I HA 0.238 4.408 4.170 -0.000 0.000 0.334 291 I C 1.119 177.250 176.117 0.023 0.000 1.371 291 I CA -0.409 60.899 61.300 0.014 0.000 1.110 291 I CB -0.204 37.802 38.000 0.010 0.000 1.085 291 I HN -0.188 nan 8.210 nan 0.000 0.398 292 G N 1.592 110.417 108.800 0.041 0.000 2.391 292 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.234 292 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.234 292 G C 0.306 175.275 174.900 0.114 0.000 1.284 292 G CA 0.017 45.172 45.100 0.092 0.000 0.873 292 G HN 0.210 nan 8.290 nan 0.000 0.549 293 D N 1.703 122.234 120.400 0.219 0.000 2.277 293 D HA -0.029 4.611 4.640 -0.000 0.000 0.209 293 D C 2.483 178.918 176.300 0.225 0.000 0.970 293 D CA 0.942 55.081 54.000 0.233 0.000 0.874 293 D CB -0.026 40.969 40.800 0.324 0.000 0.982 293 D HN 0.512 nan 8.370 nan 0.000 0.504 294 G N 2.629 111.597 108.800 0.280 0.000 2.679 294 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 294 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 294 G C -0.786 174.171 174.900 0.094 0.000 1.267 294 G CA 0.927 46.103 45.100 0.126 0.000 0.799 294 G HN 0.230 nan 8.290 nan 0.000 0.606 295 P HA -0.151 nan 4.420 nan 0.000 0.219 295 P C -1.257 176.072 177.300 0.048 0.000 1.161 295 P CA 2.740 65.901 63.100 0.101 0.000 0.909 295 P CB -0.848 30.866 31.700 0.024 0.000 0.793 296 P HA -0.221 nan 4.420 nan 0.000 0.212 296 P C 1.452 178.735 177.300 -0.028 0.000 1.178 296 P CA 2.274 65.364 63.100 -0.016 0.000 0.915 296 P CB -0.768 30.918 31.700 -0.024 0.000 0.788 297 A N 0.011 122.818 122.820 -0.021 0.000 1.885 297 A HA -0.274 4.046 4.320 -0.000 0.000 0.215 297 A C 2.230 179.798 177.584 -0.028 0.000 1.255 297 A CA 2.485 54.501 52.037 -0.035 0.000 0.692 297 A CB -1.840 17.147 19.000 -0.022 0.000 0.842 297 A HN 0.082 nan 8.150 nan 0.000 0.465 298 L N -0.910 120.304 121.223 -0.014 0.000 2.077 298 L HA -0.352 3.988 4.340 -0.000 0.000 0.231 298 L C 2.619 179.497 176.870 0.013 0.000 1.100 298 L CA 2.306 57.142 54.840 -0.006 0.000 0.819 298 L CB -1.045 41.029 42.059 0.025 0.000 0.913 298 L HN 0.504 nan 8.230 nan 0.000 0.446 299 I N -0.290 120.304 120.570 0.040 0.000 2.145 299 I HA -0.355 3.815 4.170 -0.000 0.000 0.244 299 I C 2.810 178.934 176.117 0.012 0.000 1.075 299 I CA 1.555 62.884 61.300 0.049 0.000 1.332 299 I CB -0.454 37.588 38.000 0.069 0.000 1.033 299 I HN 0.314 nan 8.210 nan 0.000 0.410 300 A N 0.987 123.793 122.820 -0.022 0.000 1.902 300 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 300 A C 2.231 179.801 177.584 -0.024 0.000 1.181 300 A CA 1.817 53.826 52.037 -0.046 0.000 0.623 300 A CB -0.696 18.247 19.000 -0.095 0.000 0.818 300 A HN 0.616 nan 8.150 nan 0.000 0.443 301 M N -0.965 118.624 119.600 -0.018 0.000 2.654 301 M HA 0.382 4.861 4.480 -0.000 0.000 0.217 301 M C 0.906 177.215 176.300 0.015 0.000 1.183 301 M CA 0.598 55.899 55.300 0.001 0.000 0.991 301 M CB -0.801 31.788 32.600 -0.019 0.000 1.749 301 M HN 0.545 nan 8.290 nan 0.000 0.475 302 G N 1.649 110.458 108.800 0.015 0.000 2.395 302 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.300 302 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.300 302 G C 0.274 175.191 174.900 0.028 0.000 0.998 302 G CA 0.332 45.447 45.100 0.025 0.000 1.046 302 G HN 1.016 nan 8.290 nan 0.000 0.513 303 A N -0.460 122.374 122.820 0.025 0.000 2.267 303 A HA 0.898 5.217 4.320 -0.000 0.000 0.271 303 A C 0.939 178.538 177.584 0.026 0.000 1.131 303 A CA 0.719 52.770 52.037 0.023 0.000 0.818 303 A CB 0.678 19.685 19.000 0.012 0.000 1.118 303 A HN 2.100 nan 8.150 nan 0.000 0.501 304 S N -1.462 114.246 115.700 0.012 0.000 2.599 304 S HA 0.721 5.191 4.470 -0.000 0.000 0.287 304 S C -1.000 173.582 174.600 -0.030 0.000 1.105 304 S CA -0.607 57.591 58.200 -0.002 0.000 0.899 304 S CB 1.308 64.504 63.200 -0.006 0.000 1.100 304 S HN 1.612 nan 8.310 nan 0.000 0.482 305 L N 0.624 121.808 121.223 -0.064 0.000 2.370 305 L HA 0.831 5.171 4.340 -0.000 0.000 0.266 305 L C -1.044 175.734 176.870 -0.154 0.000 1.002 305 L CA 0.054 54.818 54.840 -0.127 0.000 0.818 305 L CB 2.360 44.295 42.059 -0.206 0.000 1.325 305 L HN 0.869 nan 8.230 nan 0.000 0.418 306 T N 5.193 119.645 114.554 -0.170 0.000 2.864 306 T HA 0.553 4.903 4.350 -0.000 0.000 0.299 306 T C -0.199 174.375 174.700 -0.210 0.000 1.011 306 T CA -0.340 61.664 62.100 -0.159 0.000 0.975 306 T CB 0.536 69.335 68.868 -0.116 0.000 0.962 306 T HN 0.466 nan 8.240 nan 0.000 0.448 307 L N 2.767 123.859 121.223 -0.218 0.000 2.469 307 L HA 0.765 5.105 4.340 -0.000 0.000 0.253 307 L C 0.396 177.103 176.870 -0.271 0.000 1.143 307 L CA -1.043 53.649 54.840 -0.246 0.000 0.804 307 L CB 0.755 42.701 42.059 -0.187 0.000 1.214 307 L HN 0.518 nan 8.230 nan 0.000 0.476 308 R N 0.975 121.251 120.500 -0.373 0.000 2.560 308 R HA 0.353 4.693 4.340 -0.000 0.000 0.267 308 R C -1.489 174.614 176.300 -0.327 0.000 1.150 308 R CA -0.649 55.216 56.100 -0.392 0.000 0.997 308 R CB 1.245 31.227 30.300 -0.530 0.000 1.250 308 R HN 0.625 nan 8.270 nan 0.000 0.433 309 R N 3.634 124.068 120.500 -0.109 0.000 2.507 309 R HA 0.384 4.724 4.340 -0.000 0.000 0.298 309 R C 0.127 176.453 176.300 0.044 0.000 1.087 309 R CA 0.554 56.662 56.100 0.014 0.000 0.917 309 R CB 1.306 31.602 30.300 -0.007 0.000 1.173 309 R HN 0.946 nan 8.270 nan 0.000 0.472 310 G N 3.442 112.316 108.800 0.123 0.000 2.815 310 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.326 310 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.326 310 G C 0.516 175.466 174.900 0.083 0.000 1.191 310 G CA 0.735 45.900 45.100 0.109 0.000 0.965 310 G HN 0.602 nan 8.290 nan 0.000 0.564 311 Q N 0.226 120.051 119.800 0.042 0.000 2.245 311 Q HA 0.200 4.540 4.340 -0.000 0.000 0.236 311 Q C 0.597 176.598 176.000 0.001 0.000 0.842 311 Q CA -0.288 55.532 55.803 0.028 0.000 0.945 311 Q CB 0.563 29.317 28.738 0.026 0.000 1.122 311 Q HN 0.567 nan 8.270 nan 0.000 0.506 312 E N 1.196 121.391 120.200 -0.008 0.000 2.416 312 E HA 0.179 4.529 4.350 -0.000 0.000 0.254 312 E C -0.322 176.249 176.600 -0.048 0.000 1.241 312 E CA 0.307 56.692 56.400 -0.025 0.000 0.969 312 E CB 0.552 30.237 29.700 -0.025 0.000 0.999 312 E HN -0.004 nan 8.360 nan 0.000 0.481 313 R N 0.651 121.119 120.500 -0.053 0.000 2.867 313 R HA 0.187 4.527 4.340 -0.000 0.000 0.288 313 R C -0.384 175.876 176.300 -0.068 0.000 1.360 313 R CA -0.246 55.808 56.100 -0.076 0.000 1.042 313 R CB 0.881 31.142 30.300 -0.065 0.000 1.287 313 R HN 0.364 nan 8.270 nan 0.000 0.404 314 R N 1.169 121.622 120.500 -0.078 0.000 2.584 314 R HA 0.477 4.817 4.340 -0.000 0.000 0.253 314 R C -0.114 176.141 176.300 -0.075 0.000 1.251 314 R CA -0.545 55.517 56.100 -0.064 0.000 1.129 314 R CB 0.643 30.909 30.300 -0.057 0.000 1.239 314 R HN 0.344 nan 8.270 nan 0.000 0.595 315 R N 1.057 121.519 120.500 -0.064 0.000 3.179 315 R HA 0.099 4.438 4.340 -0.000 0.000 0.288 315 R C -1.290 174.983 176.300 -0.046 0.000 1.263 315 R CA -0.130 55.930 56.100 -0.066 0.000 1.013 315 R CB 0.443 30.711 30.300 -0.053 0.000 1.379 315 R HN 0.635 nan 8.270 nan 0.000 0.367 316 M N 1.243 120.811 119.600 -0.053 0.000 2.821 316 M HA 0.716 5.196 4.480 -0.000 0.000 0.304 316 M C -2.638 173.655 176.300 -0.012 0.000 1.233 316 M CA -2.399 52.890 55.300 -0.020 0.000 0.851 316 M CB 1.568 34.169 32.600 0.003 0.000 1.723 316 M HN 0.030 nan 8.290 nan 0.000 0.493 317 P HA 0.121 nan 4.420 nan 0.000 0.270 317 P C 0.832 178.173 177.300 0.069 0.000 1.242 317 P CA -0.220 62.902 63.100 0.037 0.000 0.768 317 P CB 0.307 32.035 31.700 0.047 0.000 0.820 318 L N 4.996 126.264 121.223 0.075 0.000 2.064 318 L HA -0.334 4.006 4.340 -0.000 0.000 0.234 318 L C 2.379 179.411 176.870 0.269 0.000 1.103 318 L CA 2.417 57.347 54.840 0.149 0.000 0.824 318 L CB -0.996 41.169 42.059 0.177 0.000 0.919 318 L HN 0.500 nan 8.230 nan 0.000 0.447 319 E N -0.845 119.509 120.200 0.257 0.000 2.187 319 E HA -0.320 4.030 4.350 -0.000 0.000 0.199 319 E C 1.615 178.415 176.600 0.333 0.000 1.004 319 E CA 2.199 58.798 56.400 0.333 0.000 0.813 319 E CB -1.227 28.595 29.700 0.204 0.000 0.736 319 E HN 0.700 nan 8.360 nan 0.000 0.468 320 D N -0.373 120.152 120.400 0.209 0.000 2.392 320 D HA -0.054 4.586 4.640 -0.000 0.000 0.228 320 D C 0.849 177.248 176.300 0.165 0.000 1.003 320 D CA 0.317 54.412 54.000 0.158 0.000 0.917 320 D CB -0.311 40.551 40.800 0.103 0.000 0.890 320 D HN 0.159 nan 8.370 nan 0.000 0.532 321 F N 0.002 119.896 119.950 -0.093 0.000 2.789 321 F HA 0.243 4.770 4.527 -0.000 0.000 0.300 321 F C -0.426 175.091 175.800 -0.472 0.000 1.132 321 F CA -0.352 57.444 58.000 -0.341 0.000 1.404 321 F CB -0.025 38.609 39.000 -0.610 0.000 1.114 321 F HN -0.244 nan 8.300 nan 0.000 0.584 322 F N 1.429 121.380 119.950 0.002 0.000 2.325 322 F HA 0.308 4.835 4.527 -0.000 0.000 0.369 322 F C 0.728 176.506 175.800 -0.037 0.000 1.095 322 F CA -0.643 57.296 58.000 -0.101 0.000 1.082 322 F CB 0.844 39.848 39.000 0.006 0.000 1.289 322 F HN -0.228 nan 8.300 nan 0.000 0.462 323 L N 0.877 122.128 121.223 0.047 0.000 2.062 323 L HA 0.225 4.565 4.340 -0.000 0.000 0.202 323 L C 0.380 177.298 176.870 0.079 0.000 1.079 323 L CA 0.913 55.784 54.840 0.051 0.000 0.755 323 L CB -0.125 41.935 42.059 0.002 0.000 0.913 323 L HN 0.439 nan 8.230 nan 0.000 0.445 324 E N -1.607 118.635 120.200 0.070 0.000 2.408 324 E HA 0.201 4.551 4.350 -0.000 0.000 0.275 324 E C -1.586 175.093 176.600 0.132 0.000 0.935 324 E CA -0.971 55.489 56.400 0.099 0.000 0.775 324 E CB 1.978 31.719 29.700 0.069 0.000 1.277 324 E HN -0.016 nan 8.360 nan 0.000 0.455 325 Y N 3.063 123.386 120.300 0.039 0.000 2.887 325 Y HA -0.198 4.352 4.550 -0.000 0.000 0.350 325 Y C 0.559 176.480 175.900 0.034 0.000 1.294 325 Y CA 0.742 58.865 58.100 0.039 0.000 1.622 325 Y CB -0.142 38.335 38.460 0.029 0.000 1.201 325 Y HN 0.595 nan 8.280 nan 0.000 0.546 326 R N 2.163 122.511 120.500 -0.254 0.000 3.739 326 R HA -0.189 4.151 4.340 -0.000 0.000 0.338 326 R C -0.866 175.330 176.300 -0.173 0.000 1.151 326 R CA 0.910 56.780 56.100 -0.384 0.000 0.873 326 R CB -1.487 28.368 30.300 -0.742 0.000 1.455 326 R HN 0.696 nan 8.270 nan 0.000 0.502 327 K N 0.799 121.145 120.400 -0.089 0.000 2.587 327 K HA 0.320 4.640 4.320 -0.000 0.000 0.256 327 K C -1.292 175.229 176.600 -0.131 0.000 0.974 327 K CA -0.401 55.836 56.287 -0.084 0.000 0.855 327 K CB 1.341 33.806 32.500 -0.059 0.000 1.292 327 K HN -0.028 nan 8.250 nan 0.000 0.444 328 Q N 1.110 120.782 119.800 -0.214 0.000 2.416 328 Q HA 0.340 4.679 4.340 -0.000 0.000 0.279 328 Q C -1.157 174.677 176.000 -0.276 0.000 1.101 328 Q CA -0.837 54.681 55.803 -0.475 0.000 0.830 328 Q CB 1.497 29.633 28.738 -1.004 0.000 1.402 328 Q HN 0.522 nan 8.270 nan 0.000 0.445 329 D N 1.280 121.525 120.400 -0.259 0.000 2.671 329 D HA 0.071 4.710 4.640 -0.000 0.000 0.228 329 D C -0.902 175.537 176.300 0.231 0.000 1.102 329 D CA 0.161 54.194 54.000 0.055 0.000 1.044 329 D CB -0.101 40.802 40.800 0.171 0.000 1.113 329 D HN 0.295 nan 8.370 nan 0.000 0.480 330 R N 1.530 122.123 120.500 0.156 0.000 2.628 330 R HA 0.435 4.775 4.340 -0.000 0.000 0.288 330 R C -0.687 175.680 176.300 0.111 0.000 0.980 330 R CA -0.820 55.407 56.100 0.211 0.000 0.891 330 R CB 1.333 31.815 30.300 0.302 0.000 1.188 330 R HN 0.001 nan 8.270 nan 0.000 0.450 331 R N 3.643 124.196 120.500 0.088 0.000 2.604 331 R HA 0.390 4.730 4.340 -0.000 0.000 0.287 331 R C -2.469 173.842 176.300 0.017 0.000 0.970 331 R CA -2.370 53.752 56.100 0.037 0.000 0.946 331 R CB 1.201 31.509 30.300 0.013 0.000 1.127 331 R HN 0.517 nan 8.270 nan 0.000 0.473 332 P HA -0.167 nan 4.420 nan 0.000 0.257 332 P C 0.815 178.012 177.300 -0.172 0.000 1.144 332 P CA 1.653 64.701 63.100 -0.086 0.000 0.761 332 P CB 0.057 31.707 31.700 -0.083 0.000 0.734 333 G N 2.110 110.675 108.800 -0.391 0.000 2.225 333 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 333 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 333 G C 0.237 175.002 174.900 -0.226 0.000 0.988 333 G CA -0.024 44.680 45.100 -0.660 0.000 0.625 333 G HN 0.589 nan 8.290 nan 0.000 0.527 334 E N 0.250 120.466 120.200 0.026 0.000 2.373 334 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 334 E C -0.040 176.865 176.600 0.508 0.000 1.032 334 E CA -0.489 56.021 56.400 0.184 0.000 0.889 334 E CB 0.199 29.954 29.700 0.092 0.000 0.984 334 E HN 0.609 nan 8.360 nan 0.000 0.425 335 F N 0.918 121.043 119.950 0.291 0.000 2.601 335 F HA 0.477 5.003 4.527 -0.000 0.000 0.309 335 F C -1.327 174.523 175.800 0.082 0.000 1.089 335 F CA -1.308 56.827 58.000 0.225 0.000 0.940 335 F CB 0.544 39.656 39.000 0.186 0.000 1.273 335 F HN 0.058 nan 8.300 nan 0.000 0.450 336 V N 2.488 122.529 119.914 0.212 0.000 2.521 336 V HA 0.124 4.244 4.120 -0.000 0.000 0.286 336 V C 0.675 176.806 176.094 0.061 0.000 1.034 336 V CA 0.674 62.972 62.300 -0.002 0.000 1.045 336 V CB 0.991 32.823 31.823 0.014 0.000 0.974 336 V HN 1.037 nan 8.190 nan 0.000 0.480 337 E N 3.741 123.884 120.200 -0.094 0.000 2.485 337 E HA 0.220 4.570 4.350 -0.000 0.000 0.213 337 E C 0.339 176.928 176.600 -0.018 0.000 0.923 337 E CA 0.571 56.963 56.400 -0.013 0.000 1.054 337 E CB 0.906 30.537 29.700 -0.114 0.000 1.077 337 E HN 0.785 nan 8.360 nan 0.000 0.509 338 S N -0.910 114.753 115.700 -0.062 0.000 2.688 338 S HA 0.443 4.912 4.470 -0.000 0.000 0.269 338 S C -0.945 173.613 174.600 -0.070 0.000 1.060 338 S CA -0.460 57.708 58.200 -0.053 0.000 0.844 338 S CB 1.050 64.223 63.200 -0.045 0.000 1.095 338 S HN 0.431 nan 8.310 nan 0.000 0.466 339 V N -1.388 118.493 119.914 -0.055 0.000 3.102 339 V HA 0.995 5.115 4.120 -0.000 0.000 0.312 339 V C -0.620 175.456 176.094 -0.030 0.000 1.135 339 V CA -0.711 61.560 62.300 -0.048 0.000 1.022 339 V CB 1.420 33.222 31.823 -0.035 0.000 1.056 339 V HN 1.168 nan 8.190 nan 0.000 0.436 340 T N 2.775 117.323 114.554 -0.011 0.000 2.916 340 T HA 0.762 5.112 4.350 -0.000 0.000 0.298 340 T C -0.745 173.981 174.700 0.045 0.000 1.031 340 T CA -0.406 61.705 62.100 0.018 0.000 0.993 340 T CB 1.403 70.276 68.868 0.009 0.000 1.045 340 T HN 0.726 nan 8.240 nan 0.000 0.454 341 L N 3.442 124.728 121.223 0.105 0.000 2.342 341 L HA 0.627 4.967 4.340 -0.000 0.000 0.271 341 L C -2.246 174.754 176.870 0.218 0.000 1.008 341 L CA -2.759 52.161 54.840 0.133 0.000 0.818 341 L CB 1.423 43.555 42.059 0.121 0.000 1.296 341 L HN 0.334 nan 8.230 nan 0.000 0.427 342 P HA -0.009 nan 4.420 nan 0.000 0.271 342 P C -0.257 177.215 177.300 0.287 0.000 1.238 342 P CA -0.231 62.973 63.100 0.174 0.000 0.794 342 P CB 0.928 32.723 31.700 0.158 0.000 0.959 343 K N -0.498 119.976 120.400 0.123 0.000 2.155 343 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 343 K C 1.205 177.891 176.600 0.143 0.000 1.052 343 K CA 1.178 57.523 56.287 0.098 0.000 0.948 343 K CB -0.084 32.383 32.500 -0.055 0.000 0.728 343 K HN 0.628 nan 8.250 nan 0.000 0.448 344 S N -1.799 113.966 115.700 0.108 0.000 2.587 344 S HA 0.613 5.083 4.470 -0.000 0.000 0.269 344 S C -1.863 172.796 174.600 0.099 0.000 1.154 344 S CA -0.288 57.913 58.200 0.001 0.000 0.824 344 S CB 2.066 65.235 63.200 -0.052 0.000 1.118 344 S HN 0.078 nan 8.310 nan 0.000 0.462 345 A N 2.666 125.534 122.820 0.080 0.000 3.024 345 A HA 0.580 4.900 4.320 -0.000 0.000 0.251 345 A C -2.479 175.155 177.584 0.083 0.000 1.267 345 A CA -0.590 51.517 52.037 0.116 0.000 1.050 345 A CB -0.046 19.076 19.000 0.203 0.000 1.400 345 A HN 0.547 nan 8.150 nan 0.000 0.756 346 P HA -0.174 nan 4.420 nan 0.000 0.217 346 P C 1.801 179.124 177.300 0.038 0.000 1.148 346 P CA 2.282 65.392 63.100 0.017 0.000 0.834 346 P CB 0.271 31.968 31.700 -0.004 0.000 0.783 347 G N -0.962 107.869 108.800 0.052 0.000 2.484 347 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.218 347 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.218 347 G C 0.522 175.516 174.900 0.157 0.000 1.130 347 G CA -0.157 44.996 45.100 0.089 0.000 0.784 347 G HN 0.205 nan 8.290 nan 0.000 0.543 348 L N 0.546 121.836 121.223 0.112 0.000 2.593 348 L HA 0.301 4.641 4.340 -0.000 0.000 0.287 348 L C 0.330 177.269 176.870 0.115 0.000 1.243 348 L CA 0.389 55.287 54.840 0.097 0.000 0.890 348 L CB 0.227 42.335 42.059 0.082 0.000 1.134 348 L HN 0.191 nan 8.230 nan 0.000 0.502 349 R N 2.606 123.164 120.500 0.097 0.000 2.651 349 R HA 0.628 4.968 4.340 -0.000 0.000 0.278 349 R C -1.676 174.496 176.300 -0.213 0.000 1.010 349 R CA -0.336 55.782 56.100 0.030 0.000 0.896 349 R CB 1.491 31.894 30.300 0.172 0.000 1.211 349 R HN 0.712 nan 8.270 nan 0.000 0.456 350 C N 3.634 122.842 119.300 -0.154 0.000 2.397 350 C HA 0.502 4.962 4.460 -0.000 0.000 0.325 350 C C -1.163 173.901 174.990 0.123 0.000 1.201 350 C CA -0.902 58.020 59.018 -0.160 0.000 1.377 350 C CB 0.355 28.083 27.740 -0.020 0.000 2.038 350 C HN 0.747 nan 8.230 nan 0.000 0.457 351 Y N 1.633 121.961 120.300 0.046 0.000 2.331 351 Y HA 0.489 5.039 4.550 -0.000 0.000 0.338 351 Y C 0.285 176.224 175.900 0.065 0.000 0.992 351 Y CA -0.799 57.340 58.100 0.064 0.000 1.121 351 Y CB 1.289 39.791 38.460 0.070 0.000 1.184 351 Y HN 0.557 nan 8.280 nan 0.000 0.469 352 K N 3.711 124.258 120.400 0.244 0.000 2.235 352 K HA 0.517 4.837 4.320 -0.000 0.000 0.266 352 K C -1.864 174.833 176.600 0.162 0.000 0.980 352 K CA -0.770 55.621 56.287 0.173 0.000 0.849 352 K CB 1.045 33.640 32.500 0.159 0.000 1.098 352 K HN 0.549 nan 8.250 nan 0.000 0.445 353 L N 3.852 125.148 121.223 0.121 0.000 2.343 353 L HA 0.531 4.870 4.340 -0.000 0.000 0.278 353 L C -1.282 175.634 176.870 0.077 0.000 0.996 353 L CA 0.254 55.153 54.840 0.099 0.000 0.831 353 L CB 1.419 43.519 42.059 0.068 0.000 1.232 353 L HN 0.850 nan 8.230 nan 0.000 0.413 354 S N 3.493 119.220 115.700 0.045 0.000 2.851 354 S HA 0.550 5.020 4.470 -0.000 0.000 0.313 354 S C 0.547 175.118 174.600 -0.049 0.000 1.163 354 S CA -0.863 57.343 58.200 0.010 0.000 0.850 354 S CB 1.569 64.772 63.200 0.004 0.000 1.245 354 S HN 0.507 nan 8.310 nan 0.000 0.558 355 K N -0.173 120.189 120.400 -0.063 0.000 2.098 355 K HA 0.184 4.504 4.320 -0.000 0.000 0.203 355 K C 0.825 177.324 176.600 -0.168 0.000 1.051 355 K CA 0.580 56.805 56.287 -0.104 0.000 0.957 355 K CB 0.155 32.609 32.500 -0.076 0.000 0.738 355 K HN 0.424 nan 8.250 nan 0.000 0.447 356 R N -0.821 119.597 120.500 -0.137 0.000 2.832 356 R HA 0.208 4.548 4.340 -0.000 0.000 0.271 356 R C 0.427 176.649 176.300 -0.131 0.000 0.996 356 R CA -0.405 55.598 56.100 -0.161 0.000 0.977 356 R CB 0.796 31.068 30.300 -0.047 0.000 1.168 356 R HN -0.097 nan 8.270 nan 0.000 0.482 357 F N 0.072 120.029 119.950 0.013 0.000 2.128 357 F HA -0.040 4.486 4.527 -0.000 0.000 0.295 357 F C 0.580 176.387 175.800 0.012 0.000 1.100 357 F CA 0.608 58.617 58.000 0.015 0.000 1.260 357 F CB 0.247 39.254 39.000 0.010 0.000 1.009 357 F HN 0.391 nan 8.300 nan 0.000 0.476 358 D N 0.256 120.784 120.400 0.213 0.000 2.193 358 D HA 0.169 4.809 4.640 -0.000 0.000 0.249 358 D C -0.247 176.091 176.300 0.063 0.000 1.034 358 D CA -0.309 53.759 54.000 0.114 0.000 0.902 358 D CB 1.124 41.967 40.800 0.072 0.000 1.182 358 D HN -0.020 nan 8.370 nan 0.000 0.436 359 Q N 1.114 120.940 119.800 0.042 0.000 2.443 359 Q HA -0.235 4.105 4.340 -0.000 0.000 0.362 359 Q C -1.713 174.288 176.000 0.002 0.000 1.423 359 Q CA 0.773 56.582 55.803 0.011 0.000 1.037 359 Q CB -0.859 27.884 28.738 0.009 0.000 1.208 359 Q HN 0.436 nan 8.270 nan 0.000 0.334 360 D N 1.011 121.408 120.400 -0.005 0.000 2.736 360 D HA 0.481 5.121 4.640 -0.000 0.000 0.223 360 D C -0.659 175.625 176.300 -0.026 0.000 1.231 360 D CA -0.514 53.480 54.000 -0.010 0.000 0.818 360 D CB 1.113 41.915 40.800 0.005 0.000 1.587 360 D HN 0.349 nan 8.370 nan 0.000 0.463 361 I N 1.228 121.780 120.570 -0.029 0.000 2.662 361 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 361 I C 0.534 176.645 176.117 -0.009 0.000 1.046 361 I CA -0.233 61.046 61.300 -0.036 0.000 1.361 361 I CB 1.172 39.153 38.000 -0.032 0.000 1.429 361 I HN 0.229 nan 8.210 nan 0.000 0.558 362 S N 3.736 119.435 115.700 -0.001 0.000 2.565 362 S HA 0.258 4.728 4.470 -0.000 0.000 0.274 362 S C 0.853 175.467 174.600 0.022 0.000 1.309 362 S CA -0.482 57.732 58.200 0.024 0.000 1.043 362 S CB 1.667 64.889 63.200 0.036 0.000 0.939 362 S HN 0.749 nan 8.310 nan 0.000 0.504 363 A N 2.589 125.432 122.820 0.038 0.000 2.021 363 A HA 0.423 4.743 4.320 -0.000 0.000 0.216 363 A C 0.369 177.955 177.584 0.004 0.000 1.163 363 A CA 0.413 52.473 52.037 0.039 0.000 0.676 363 A CB 0.186 19.250 19.000 0.106 0.000 0.818 363 A HN 0.622 nan 8.150 nan 0.000 0.453 364 V N -0.847 119.074 119.914 0.013 0.000 2.781 364 V HA 0.187 4.307 4.120 -0.000 0.000 0.289 364 V C -1.239 174.899 176.094 0.074 0.000 1.275 364 V CA -0.959 61.344 62.300 0.006 0.000 0.936 364 V CB 0.762 32.559 31.823 -0.043 0.000 1.074 364 V HN 0.275 nan 8.190 nan 0.000 0.444 365 C N 4.452 123.810 119.300 0.096 0.000 2.273 365 C HA 0.862 5.322 4.460 -0.000 0.000 0.328 365 C C 0.895 175.949 174.990 0.108 0.000 1.275 365 C CA 0.213 59.294 59.018 0.104 0.000 1.704 365 C CB -0.241 27.544 27.740 0.075 0.000 2.326 365 C HN 1.158 nan 8.230 nan 0.000 0.517 366 G N 4.937 113.780 108.800 0.071 0.000 2.422 366 G HA2 0.573 4.533 3.960 -0.000 0.000 0.317 366 G HA3 0.573 4.533 3.960 -0.000 0.000 0.317 366 G C -0.966 173.727 174.900 -0.345 0.000 1.210 366 G CA -0.168 44.830 45.100 -0.171 0.000 0.930 366 G HN 0.891 nan 8.290 nan 0.000 0.468 367 C N 3.119 122.119 119.300 -0.501 0.000 2.301 367 C HA 0.642 5.102 4.460 -0.000 0.000 0.323 367 C C -0.274 174.466 174.990 -0.416 0.000 1.265 367 C CA -0.626 58.163 59.018 -0.381 0.000 1.503 367 C CB -0.194 27.404 27.740 -0.236 0.000 2.195 367 C HN 0.599 nan 8.230 nan 0.000 0.477 368 L N 4.181 125.159 121.223 -0.408 0.000 2.346 368 L HA 0.634 4.974 4.340 -0.000 0.000 0.274 368 L C -0.135 176.586 176.870 -0.249 0.000 1.007 368 L CA 0.064 54.633 54.840 -0.452 0.000 0.818 368 L CB 1.241 42.786 42.059 -0.856 0.000 1.284 368 L HN 0.575 nan 8.230 nan 0.000 0.424 369 N N 3.172 121.723 118.700 -0.249 0.000 2.571 369 N HA 0.479 5.219 4.740 -0.000 0.000 0.286 369 N C -1.891 173.587 175.510 -0.052 0.000 1.138 369 N CA -0.251 52.768 53.050 -0.053 0.000 0.859 369 N CB 1.011 39.480 38.487 -0.029 0.000 1.414 369 N HN 0.476 nan 8.380 nan 0.000 0.529 370 L N 1.880 123.135 121.223 0.052 0.000 2.346 370 L HA 0.605 4.945 4.340 -0.000 0.000 0.274 370 L C -0.083 176.757 176.870 -0.049 0.000 1.007 370 L CA -0.708 54.119 54.840 -0.022 0.000 0.818 370 L CB 2.177 44.218 42.059 -0.030 0.000 1.284 370 L HN 0.363 nan 8.230 nan 0.000 0.424 371 T N 3.437 117.945 114.554 -0.077 0.000 2.829 371 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 371 T C -0.222 174.411 174.700 -0.110 0.000 0.999 371 T CA -0.509 61.545 62.100 -0.078 0.000 0.983 371 T CB 1.753 70.595 68.868 -0.043 0.000 0.968 371 T HN 0.263 nan 8.240 nan 0.000 0.446 372 L N 2.347 123.497 121.223 -0.120 0.000 2.331 372 L HA 0.642 4.981 4.340 -0.000 0.000 0.275 372 L C 0.255 177.086 176.870 -0.064 0.000 1.022 372 L CA -1.113 53.653 54.840 -0.122 0.000 0.812 372 L CB 1.359 43.319 42.059 -0.164 0.000 1.257 372 L HN 0.378 nan 8.230 nan 0.000 0.435 373 K N 1.884 122.257 120.400 -0.045 0.000 2.526 373 K HA 0.367 4.687 4.320 -0.000 0.000 0.214 373 K C -0.073 176.520 176.600 -0.011 0.000 1.088 373 K CA -0.358 55.916 56.287 -0.023 0.000 1.058 373 K CB 0.303 32.794 32.500 -0.015 0.000 1.653 373 K HN 0.671 nan 8.250 nan 0.000 0.521 374 G N 2.167 110.960 108.800 -0.012 0.000 2.628 374 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.259 374 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.259 374 G C 0.483 175.398 174.900 0.025 0.000 0.091 374 G CA 1.026 46.129 45.100 0.005 0.000 1.170 374 G HN 1.364 nan 8.290 nan 0.000 0.558 375 S N 0.422 116.153 115.700 0.051 0.000 2.723 375 S HA -0.279 4.190 4.470 -0.000 0.000 0.261 375 S C 0.834 175.489 174.600 0.092 0.000 1.294 375 S CA 2.738 60.992 58.200 0.090 0.000 1.467 375 S CB -0.981 62.259 63.200 0.067 0.000 1.849 375 S HN 1.247 nan 8.310 nan 0.000 0.672 376 K N 0.721 121.148 120.400 0.046 0.000 2.316 376 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 376 K C -0.237 176.362 176.600 -0.002 0.000 0.934 376 K CA -0.722 55.586 56.287 0.035 0.000 0.802 376 K CB 1.242 33.754 32.500 0.020 0.000 1.171 376 K HN 0.413 nan 8.250 nan 0.000 0.426 377 I N 3.840 124.413 120.570 0.006 0.000 2.347 377 I HA -0.003 4.167 4.170 -0.000 0.000 0.294 377 I C 1.357 177.451 176.117 -0.038 0.000 1.090 377 I CA -0.145 61.133 61.300 -0.036 0.000 1.314 377 I CB 0.654 38.650 38.000 -0.007 0.000 1.423 377 I HN 0.575 nan 8.210 nan 0.000 0.503 378 E N 4.209 124.378 120.200 -0.051 0.000 2.011 378 E HA 0.017 4.367 4.350 -0.000 0.000 0.191 378 E C 0.460 177.038 176.600 -0.036 0.000 0.980 378 E CA 1.223 57.601 56.400 -0.037 0.000 0.814 378 E CB 0.254 29.932 29.700 -0.036 0.000 0.775 378 E HN 0.562 nan 8.360 nan 0.000 0.454 379 T N -0.515 114.013 114.554 -0.043 0.000 2.932 379 T HA 0.729 5.079 4.350 -0.000 0.000 0.289 379 T C -0.720 173.951 174.700 -0.049 0.000 1.039 379 T CA -0.456 61.621 62.100 -0.037 0.000 1.024 379 T CB 2.022 70.874 68.868 -0.028 0.000 1.090 379 T HN 0.147 nan 8.240 nan 0.000 0.496 380 A N 2.291 125.084 122.820 -0.045 0.000 2.969 380 A HA 0.437 4.757 4.320 -0.000 0.000 0.303 380 A C -0.244 177.313 177.584 -0.045 0.000 1.198 380 A CA -0.768 51.233 52.037 -0.060 0.000 0.819 380 A CB 0.516 19.469 19.000 -0.078 0.000 1.385 380 A HN 0.628 nan 8.150 nan 0.000 0.479 381 R N 1.843 122.316 120.500 -0.044 0.000 2.288 381 R HA 0.414 4.754 4.340 -0.000 0.000 0.330 381 R C -0.879 175.382 176.300 -0.065 0.000 1.069 381 R CA 0.308 56.389 56.100 -0.033 0.000 0.941 381 R CB 0.443 30.727 30.300 -0.028 0.000 0.998 381 R HN 0.611 nan 8.270 nan 0.000 0.452 382 I N 2.295 122.848 120.570 -0.028 0.000 2.447 382 I HA 0.398 4.567 4.170 -0.000 0.000 0.287 382 I C -0.260 175.819 176.117 -0.064 0.000 1.023 382 I CA -0.663 60.594 61.300 -0.071 0.000 1.083 382 I CB 1.973 40.015 38.000 0.070 0.000 1.245 382 I HN 0.556 nan 8.210 nan 0.000 0.434 383 A N 6.394 129.062 122.820 -0.254 0.000 2.413 383 A HA 0.944 5.264 4.320 -0.000 0.000 0.307 383 A C -1.448 175.839 177.584 -0.494 0.000 1.087 383 A CA -0.364 51.571 52.037 -0.170 0.000 0.750 383 A CB 1.377 20.326 19.000 -0.084 0.000 1.296 383 A HN 0.544 nan 8.150 nan 0.000 0.423 384 F N -0.162 119.805 119.950 0.028 0.000 2.591 384 F HA 0.602 5.129 4.527 -0.000 0.000 0.309 384 F C 0.693 176.458 175.800 -0.059 0.000 1.098 384 F CA -0.352 57.604 58.000 -0.074 0.000 0.937 384 F CB 2.713 41.561 39.000 -0.252 0.000 1.250 384 F HN 0.783 nan 8.300 nan 0.000 0.447 385 G N 0.029 108.918 108.800 0.148 0.000 2.356 385 G HA2 0.477 4.437 3.960 -0.000 0.000 0.322 385 G HA3 0.477 4.437 3.960 -0.000 0.000 0.322 385 G C 0.581 175.497 174.900 0.028 0.000 1.125 385 G CA -0.180 44.954 45.100 0.057 0.000 0.885 385 G HN 1.362 nan 8.290 nan 0.000 0.467 386 G N 1.665 110.462 108.800 -0.005 0.000 2.179 386 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 386 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 386 G C 1.043 175.888 174.900 -0.091 0.000 0.977 386 G CA 0.654 45.731 45.100 -0.039 0.000 0.641 386 G HN 0.546 nan 8.290 nan 0.000 0.533 387 M N 0.108 119.627 119.600 -0.134 0.000 2.431 387 M HA 0.632 5.112 4.480 -0.000 0.000 0.237 387 M C 0.968 177.275 176.300 0.013 0.000 1.130 387 M CA 0.949 56.113 55.300 -0.228 0.000 1.002 387 M CB -0.369 31.758 32.600 -0.789 0.000 1.524 387 M HN 1.170 nan 8.290 nan 0.000 0.482 388 A N -1.218 121.628 122.820 0.043 0.000 2.552 388 A HA 0.632 4.952 4.320 -0.000 0.000 0.308 388 A C 0.781 178.362 177.584 -0.006 0.000 1.114 388 A CA -0.056 52.014 52.037 0.055 0.000 0.610 388 A CB -0.732 18.360 19.000 0.153 0.000 1.402 388 A HN 0.194 nan 8.150 nan 0.000 0.563 389 G N -1.140 107.661 108.800 0.003 0.000 2.625 389 G HA2 0.406 4.366 3.960 -0.000 0.000 0.214 389 G HA3 0.406 4.366 3.960 -0.000 0.000 0.214 389 G C 0.501 175.472 174.900 0.119 0.000 1.132 389 G CA 1.581 46.688 45.100 0.012 0.000 0.782 389 G HN 1.903 nan 8.290 nan 0.000 0.538 390 V N -0.912 119.047 119.914 0.076 0.000 3.242 390 V HA 0.632 4.752 4.120 -0.000 0.000 0.298 390 V C -2.767 173.319 176.094 -0.013 0.000 1.352 390 V CA -2.139 60.184 62.300 0.039 0.000 1.052 390 V CB 2.763 34.647 31.823 0.101 0.000 1.101 390 V HN -0.056 nan 8.190 nan 0.000 0.446 391 P HA 0.475 nan 4.420 nan 0.000 0.281 391 P C -1.754 175.560 177.300 0.023 0.000 1.252 391 P CA -0.122 62.919 63.100 -0.098 0.000 0.778 391 P CB 0.533 32.052 31.700 -0.301 0.000 0.895 392 K N 1.702 122.205 120.400 0.172 0.000 2.536 392 K HA 0.564 4.884 4.320 -0.000 0.000 0.269 392 K C -0.550 176.201 176.600 0.250 0.000 0.965 392 K CA -1.144 55.255 56.287 0.185 0.000 0.860 392 K CB 1.891 34.479 32.500 0.146 0.000 1.423 392 K HN 0.116 nan 8.250 nan 0.000 0.438 393 R N 0.327 120.928 120.500 0.167 0.000 2.649 393 R HA 0.322 4.662 4.340 -0.000 0.000 0.270 393 R C 0.138 176.568 176.300 0.217 0.000 1.105 393 R CA -0.119 56.088 56.100 0.179 0.000 1.193 393 R CB 0.846 31.208 30.300 0.104 0.000 1.120 393 R HN 0.794 nan 8.270 nan 0.000 0.561 394 A N 1.284 124.281 122.820 0.295 0.000 2.988 394 A HA 0.306 4.626 4.320 -0.000 0.000 0.288 394 A C 1.431 179.116 177.584 0.168 0.000 1.385 394 A CA 0.409 52.624 52.037 0.298 0.000 1.001 394 A CB -0.607 18.768 19.000 0.624 0.000 1.071 394 A HN 0.878 nan 8.150 nan 0.000 0.608 395 A N 1.087 123.946 122.820 0.065 0.000 1.883 395 A HA -0.274 4.046 4.320 -0.000 0.000 0.269 395 A C 2.532 180.155 177.584 0.065 0.000 2.559 395 A CA 3.162 55.225 52.037 0.044 0.000 0.908 395 A CB -1.491 17.510 19.000 0.001 0.000 0.807 395 A HN 1.691 nan 8.150 nan 0.000 0.505 396 A N -2.554 120.298 122.820 0.054 0.000 1.997 396 A HA -0.075 4.245 4.320 -0.000 0.000 0.221 396 A C 2.045 179.711 177.584 0.138 0.000 1.172 396 A CA 2.249 54.332 52.037 0.075 0.000 0.645 396 A CB -0.685 18.355 19.000 0.067 0.000 0.813 396 A HN 0.911 nan 8.150 nan 0.000 0.454 397 F N 0.505 120.484 119.950 0.049 0.000 2.060 397 F HA -0.068 4.459 4.527 -0.000 0.000 0.295 397 F C 2.236 178.074 175.800 0.063 0.000 1.120 397 F CA 1.783 59.830 58.000 0.079 0.000 1.205 397 F CB -0.728 38.358 39.000 0.143 0.000 0.986 397 F HN 0.365 nan 8.300 nan 0.000 0.470 398 E N 0.346 120.580 120.200 0.056 0.000 2.055 398 E HA -0.363 3.987 4.350 -0.000 0.000 0.209 398 E C 2.258 178.796 176.600 -0.102 0.000 1.036 398 E CA 1.514 57.883 56.400 -0.051 0.000 0.849 398 E CB -0.766 28.950 29.700 0.026 0.000 0.767 398 E HN 0.466 nan 8.360 nan 0.000 0.461 399 A N 1.671 124.465 122.820 -0.043 0.000 1.862 399 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 399 A C 2.397 179.939 177.584 -0.069 0.000 1.251 399 A CA 2.499 54.512 52.037 -0.040 0.000 0.673 399 A CB -1.225 17.769 19.000 -0.010 0.000 0.843 399 A HN 0.377 nan 8.150 nan 0.000 0.458 400 A N -1.943 120.836 122.820 -0.069 0.000 2.285 400 A HA 0.094 4.414 4.320 -0.000 0.000 0.214 400 A C 1.768 179.284 177.584 -0.113 0.000 1.188 400 A CA 1.507 53.505 52.037 -0.066 0.000 0.707 400 A CB -0.465 18.515 19.000 -0.033 0.000 0.771 400 A HN 0.467 nan 8.150 nan 0.000 0.488 401 L N -0.783 120.340 121.223 -0.167 0.000 2.298 401 L HA 0.335 4.675 4.340 -0.000 0.000 0.209 401 L C 0.917 177.737 176.870 -0.083 0.000 1.084 401 L CA 0.556 55.290 54.840 -0.178 0.000 0.816 401 L CB -0.252 41.627 42.059 -0.299 0.000 0.967 401 L HN 0.347 nan 8.230 nan 0.000 0.460 402 I N -0.492 120.039 120.570 -0.066 0.000 2.754 402 I HA 0.224 4.394 4.170 -0.000 0.000 0.285 402 I C 1.653 177.758 176.117 -0.021 0.000 1.166 402 I CA 0.822 62.098 61.300 -0.039 0.000 1.417 402 I CB 0.242 38.221 38.000 -0.034 0.000 1.382 402 I HN 0.429 nan 8.210 nan 0.000 0.588 403 G N 3.499 112.293 108.800 -0.011 0.000 2.284 403 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.261 403 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.261 403 G C 0.450 175.357 174.900 0.011 0.000 0.997 403 G CA -0.240 44.860 45.100 -0.000 0.000 0.621 403 G HN 0.572 nan 8.290 nan 0.000 0.534 404 Q N 0.961 120.770 119.800 0.014 0.000 2.382 404 Q HA 0.312 4.652 4.340 -0.000 0.000 0.229 404 Q C -0.257 175.780 176.000 0.062 0.000 1.006 404 Q CA -0.304 55.516 55.803 0.029 0.000 0.916 404 Q CB 0.482 29.232 28.738 0.020 0.000 1.235 404 Q HN 0.350 nan 8.270 nan 0.000 0.512 405 D N 1.155 121.596 120.400 0.068 0.000 2.390 405 D HA 0.016 4.655 4.640 -0.000 0.000 0.249 405 D C -0.424 175.974 176.300 0.164 0.000 1.144 405 D CA 0.021 54.081 54.000 0.100 0.000 0.880 405 D CB 0.213 41.052 40.800 0.064 0.000 1.182 405 D HN 0.280 nan 8.370 nan 0.000 0.451 406 F N 4.408 124.372 119.950 0.025 0.000 2.662 406 F HA 0.133 4.659 4.527 -0.000 0.000 0.365 406 F C 0.617 176.443 175.800 0.045 0.000 1.222 406 F CA -0.074 57.951 58.000 0.041 0.000 1.315 406 F CB -0.426 38.603 39.000 0.048 0.000 1.711 406 F HN 0.081 nan 8.300 nan 0.000 0.651 407 R N 1.086 121.510 120.500 -0.127 0.000 2.923 407 R HA 0.218 4.558 4.340 -0.000 0.000 0.252 407 R C 1.391 177.572 176.300 -0.198 0.000 1.130 407 R CA -0.518 55.476 56.100 -0.176 0.000 1.043 407 R CB 1.306 31.572 30.300 -0.056 0.000 1.205 407 R HN 0.455 nan 8.270 nan 0.000 0.495 408 E N 0.747 120.859 120.200 -0.146 0.000 2.031 408 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 408 E C 0.793 177.375 176.600 -0.029 0.000 0.994 408 E CA 2.274 58.621 56.400 -0.088 0.000 0.800 408 E CB -0.052 29.613 29.700 -0.058 0.000 0.752 408 E HN 0.668 nan 8.360 nan 0.000 0.447 409 D N 0.307 120.697 120.400 -0.018 0.000 2.182 409 D HA -0.242 4.398 4.640 -0.000 0.000 0.201 409 D C 2.055 178.368 176.300 0.022 0.000 0.986 409 D CA 2.113 56.118 54.000 0.007 0.000 0.847 409 D CB -1.195 39.609 40.800 0.007 0.000 0.942 409 D HN 0.458 nan 8.370 nan 0.000 0.467 410 T N -0.725 113.838 114.554 0.015 0.000 2.737 410 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 410 T C 2.125 176.858 174.700 0.055 0.000 1.038 410 T CA 0.881 63.000 62.100 0.031 0.000 1.144 410 T CB -0.551 68.335 68.868 0.030 0.000 0.866 410 T HN 0.106 nan 8.240 nan 0.000 0.434 411 I N 2.839 123.449 120.570 0.067 0.000 2.118 411 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 411 I C 3.265 179.486 176.117 0.173 0.000 1.070 411 I CA 1.577 62.966 61.300 0.147 0.000 1.327 411 I CB -1.818 36.273 38.000 0.152 0.000 1.034 411 I HN 0.401 nan 8.210 nan 0.000 0.405 412 A N 1.306 124.190 122.820 0.106 0.000 1.894 412 A HA -0.292 4.028 4.320 -0.000 0.000 0.220 412 A C 2.436 180.081 177.584 0.102 0.000 1.237 412 A CA 2.973 55.063 52.037 0.089 0.000 0.660 412 A CB -1.071 17.960 19.000 0.052 0.000 0.835 412 A HN 0.500 nan 8.150 nan 0.000 0.461 413 A N -1.376 121.497 122.820 0.087 0.000 2.206 413 A HA 0.437 4.757 4.320 -0.000 0.000 0.211 413 A C 2.033 179.686 177.584 0.115 0.000 1.158 413 A CA 1.399 53.484 52.037 0.081 0.000 0.761 413 A CB -0.585 18.448 19.000 0.055 0.000 0.801 413 A HN 1.165 nan 8.150 nan 0.000 0.473 414 A N -0.662 122.264 122.820 0.177 0.000 2.238 414 A HA 0.362 4.682 4.320 -0.000 0.000 0.210 414 A C 1.776 179.629 177.584 0.448 0.000 1.179 414 A CA 0.146 52.337 52.037 0.257 0.000 0.827 414 A CB -0.372 18.722 19.000 0.157 0.000 0.856 414 A HN 0.432 nan 8.150 nan 0.000 0.488 415 L N -0.091 121.313 121.223 0.301 0.000 2.012 415 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 415 L C -0.528 176.371 176.870 0.049 0.000 1.073 415 L CA 1.535 56.449 54.840 0.124 0.000 0.748 415 L CB -1.517 40.567 42.059 0.042 0.000 0.891 415 L HN 0.201 nan 8.230 nan 0.000 0.431 416 P HA -0.184 nan 4.420 nan 0.000 0.218 416 P C 1.803 179.141 177.300 0.064 0.000 1.146 416 P CA 1.284 64.411 63.100 0.046 0.000 0.813 416 P CB -0.021 31.708 31.700 0.048 0.000 0.778 417 L N -1.699 119.606 121.223 0.136 0.000 2.261 417 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 417 L C 2.378 179.327 176.870 0.131 0.000 1.114 417 L CA 1.151 56.090 54.840 0.164 0.000 0.777 417 L CB -0.928 41.292 42.059 0.268 0.000 0.910 417 L HN -0.017 nan 8.230 nan 0.000 0.440 418 L N -0.645 120.606 121.223 0.046 0.000 2.131 418 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 418 L C 2.692 179.612 176.870 0.082 0.000 1.092 418 L CA 0.949 55.798 54.840 0.016 0.000 0.759 418 L CB -0.568 41.352 42.059 -0.230 0.000 0.903 418 L HN 0.282 nan 8.230 nan 0.000 0.435 419 A N -1.077 121.758 122.820 0.025 0.000 2.178 419 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 419 A C 2.138 179.740 177.584 0.029 0.000 1.157 419 A CA 1.361 53.412 52.037 0.024 0.000 0.689 419 A CB -0.224 18.779 19.000 0.005 0.000 0.787 419 A HN 0.530 nan 8.150 nan 0.000 0.465 420 Q N -1.253 118.561 119.800 0.025 0.000 2.390 420 Q HA -0.033 4.306 4.340 -0.000 0.000 0.216 420 Q C 0.878 176.834 176.000 -0.074 0.000 0.916 420 Q CA 0.534 56.332 55.803 -0.009 0.000 0.911 420 Q CB 0.205 28.946 28.738 0.005 0.000 1.035 420 Q HN 0.584 nan 8.270 nan 0.000 0.541 421 D N -0.206 120.131 120.400 -0.105 0.000 2.219 421 D HA -0.043 4.597 4.640 -0.000 0.000 0.205 421 D C -0.150 175.681 176.300 -0.781 0.000 0.970 421 D CA 1.141 54.880 54.000 -0.436 0.000 0.851 421 D CB 0.289 40.801 40.800 -0.480 0.000 0.943 421 D HN 0.040 nan 8.370 nan 0.000 0.488 422 F N -1.043 118.864 119.950 -0.071 0.000 2.613 422 F HA 0.325 4.852 4.527 -0.000 0.000 0.310 422 F C 0.004 175.750 175.800 -0.090 0.000 1.085 422 F CA -0.826 57.117 58.000 -0.095 0.000 0.945 422 F CB 2.356 41.254 39.000 -0.170 0.000 1.298 422 F HN -0.526 nan 8.300 nan 0.000 0.455 423 T N 2.578 117.218 114.554 0.144 0.000 3.135 423 T HA 0.374 4.724 4.350 -0.000 0.000 0.357 423 T C -2.699 172.017 174.700 0.026 0.000 1.112 423 T CA -0.995 61.135 62.100 0.051 0.000 1.290 423 T CB 0.620 69.502 68.868 0.023 0.000 1.018 423 T HN 0.166 nan 8.240 nan 0.000 0.527 424 P HA 0.584 nan 4.420 nan 0.000 0.278 424 P C -0.391 176.886 177.300 -0.039 0.000 1.258 424 P CA -0.848 62.228 63.100 -0.039 0.000 0.811 424 P CB 0.801 32.440 31.700 -0.102 0.000 1.063 425 L N -0.113 121.082 121.223 -0.047 0.000 2.657 425 L HA 0.503 4.843 4.340 -0.000 0.000 0.240 425 L C 0.628 177.480 176.870 -0.029 0.000 1.151 425 L CA -0.034 54.781 54.840 -0.041 0.000 0.831 425 L CB 0.066 42.090 42.059 -0.058 0.000 1.539 425 L HN 0.356 nan 8.230 nan 0.000 0.511 426 S N -0.757 114.929 115.700 -0.024 0.000 2.526 426 S HA 0.720 5.190 4.470 -0.000 0.000 0.293 426 S C -1.335 173.254 174.600 -0.018 0.000 1.092 426 S CA -0.636 57.556 58.200 -0.015 0.000 0.980 426 S CB 2.041 65.233 63.200 -0.012 0.000 1.048 426 S HN 0.691 nan 8.310 nan 0.000 0.483 427 D N 0.766 121.157 120.400 -0.015 0.000 2.946 427 D HA 0.146 4.786 4.640 -0.000 0.000 0.337 427 D C 1.113 177.403 176.300 -0.017 0.000 1.332 427 D CA -0.701 53.289 54.000 -0.016 0.000 0.935 427 D CB -0.432 40.357 40.800 -0.018 0.000 1.440 427 D HN 0.418 nan 8.370 nan 0.000 0.540 428 M N -0.173 119.418 119.600 -0.016 0.000 2.279 428 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 428 M C 1.208 177.492 176.300 -0.027 0.000 1.062 428 M CA 1.499 56.787 55.300 -0.021 0.000 1.099 428 M CB -1.069 31.522 32.600 -0.015 0.000 1.394 428 M HN 0.426 nan 8.290 nan 0.000 0.426 429 R N 1.141 121.630 120.500 -0.019 0.000 2.193 429 R HA 0.401 4.741 4.340 -0.000 0.000 0.213 429 R C 0.389 176.676 176.300 -0.021 0.000 1.055 429 R CA 0.838 56.928 56.100 -0.018 0.000 0.995 429 R CB 0.096 30.395 30.300 -0.002 0.000 0.893 429 R HN 0.619 nan 8.270 nan 0.000 0.459 430 A N -0.311 122.501 122.820 -0.012 0.000 2.592 430 A HA 0.284 4.604 4.320 -0.000 0.000 0.300 430 A C -0.802 176.799 177.584 0.028 0.000 0.994 430 A CA -0.837 51.204 52.037 0.006 0.000 0.707 430 A CB 0.421 19.520 19.000 0.164 0.000 1.273 430 A HN 0.121 nan 8.150 nan 0.000 0.413 431 S N 1.255 116.971 115.700 0.028 0.000 2.592 431 S HA 0.602 5.072 4.470 -0.000 0.000 0.271 431 S C 1.464 176.104 174.600 0.066 0.000 1.326 431 S CA 0.210 58.430 58.200 0.034 0.000 1.024 431 S CB 1.443 64.655 63.200 0.021 0.000 0.921 431 S HN 2.260 nan 8.310 nan 0.000 0.527 432 A N 2.960 125.793 122.820 0.022 0.000 1.869 432 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 432 A C 2.474 180.061 177.584 0.006 0.000 1.203 432 A CA 2.403 54.440 52.037 0.000 0.000 0.638 432 A CB -1.850 17.143 19.000 -0.011 0.000 0.831 432 A HN 1.496 nan 8.150 nan 0.000 0.450 433 A N -1.470 121.363 122.820 0.022 0.000 1.869 433 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 433 A C 2.183 179.794 177.584 0.044 0.000 1.203 433 A CA 2.094 54.144 52.037 0.021 0.000 0.638 433 A CB -1.143 17.874 19.000 0.028 0.000 0.831 433 A HN 0.881 nan 8.150 nan 0.000 0.450 434 Y N 0.286 120.554 120.300 -0.053 0.000 2.114 434 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 434 Y C 2.573 178.427 175.900 -0.075 0.000 1.165 434 Y CA 2.345 60.411 58.100 -0.056 0.000 1.148 434 Y CB -0.407 38.023 38.460 -0.049 0.000 0.972 434 Y HN 0.277 nan 8.280 nan 0.000 0.504 435 R N -0.912 119.553 120.500 -0.059 0.000 2.103 435 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 435 R C 2.237 178.366 176.300 -0.285 0.000 1.142 435 R CA 2.031 58.010 56.100 -0.201 0.000 0.960 435 R CB -0.393 29.840 30.300 -0.112 0.000 0.858 435 R HN 0.428 nan 8.270 nan 0.000 0.439 436 M N 0.832 120.305 119.600 -0.212 0.000 2.101 436 M HA -0.179 4.301 4.480 -0.000 0.000 0.259 436 M C 1.847 178.003 176.300 -0.240 0.000 1.083 436 M CA 1.754 56.915 55.300 -0.231 0.000 1.114 436 M CB -0.839 31.677 32.600 -0.140 0.000 1.281 436 M HN 0.051 nan 8.290 nan 0.000 0.422 437 N N -0.007 118.588 118.700 -0.175 0.000 2.144 437 N HA -0.239 4.501 4.740 -0.000 0.000 0.195 437 N C 1.471 176.851 175.510 -0.218 0.000 1.006 437 N CA 2.046 55.002 53.050 -0.157 0.000 0.880 437 N CB -0.142 38.286 38.487 -0.099 0.000 1.018 437 N HN 0.525 nan 8.380 nan 0.000 0.443 438 A N 0.682 123.296 122.820 -0.345 0.000 1.873 438 A HA 0.072 4.392 4.320 -0.000 0.000 0.215 438 A C 2.489 179.946 177.584 -0.211 0.000 1.186 438 A CA 1.873 53.703 52.037 -0.345 0.000 0.616 438 A CB -1.001 17.674 19.000 -0.540 0.000 0.823 438 A HN 0.471 nan 8.150 nan 0.000 0.442 439 A N -0.742 121.914 122.820 -0.274 0.000 1.883 439 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 439 A C 2.114 179.612 177.584 -0.143 0.000 1.186 439 A CA 1.900 53.789 52.037 -0.246 0.000 0.624 439 A CB -0.694 17.842 19.000 -0.773 0.000 0.822 439 A HN 0.634 nan 8.150 nan 0.000 0.444 440 Q N -0.679 118.997 119.800 -0.206 0.000 2.062 440 Q HA -0.217 4.123 4.340 -0.000 0.000 0.209 440 Q C 2.435 178.407 176.000 -0.047 0.000 0.996 440 Q CA 1.985 57.698 55.803 -0.150 0.000 0.859 440 Q CB -0.488 28.171 28.738 -0.131 0.000 0.920 440 Q HN 0.702 nan 8.270 nan 0.000 0.415 441 A N 0.600 123.391 122.820 -0.048 0.000 1.917 441 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 441 A C 2.054 179.679 177.584 0.069 0.000 1.182 441 A CA 1.838 53.873 52.037 -0.002 0.000 0.633 441 A CB -0.668 18.311 19.000 -0.033 0.000 0.819 441 A HN 0.382 nan 8.150 nan 0.000 0.448 442 M N -0.704 118.964 119.600 0.113 0.000 2.144 442 M HA -0.262 4.218 4.480 -0.000 0.000 0.260 442 M C 2.502 179.001 176.300 0.333 0.000 1.067 442 M CA 1.522 56.996 55.300 0.290 0.000 1.095 442 M CB -0.586 32.241 32.600 0.378 0.000 1.365 442 M HN 0.558 nan 8.290 nan 0.000 0.406 443 A N 0.738 123.690 122.820 0.220 0.000 1.835 443 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 443 A C 2.053 179.802 177.584 0.275 0.000 1.199 443 A CA 1.455 53.645 52.037 0.255 0.000 0.615 443 A CB -1.034 18.090 19.000 0.206 0.000 0.838 443 A HN 0.436 nan 8.150 nan 0.000 0.444 444 L N -0.436 120.894 121.223 0.179 0.000 2.051 444 L HA -0.300 4.040 4.340 -0.000 0.000 0.214 444 L C 2.818 179.776 176.870 0.147 0.000 1.076 444 L CA 2.174 57.094 54.840 0.133 0.000 0.758 444 L CB -0.554 41.549 42.059 0.074 0.000 0.890 444 L HN 0.597 nan 8.230 nan 0.000 0.433 445 R N -0.595 120.000 120.500 0.159 0.000 2.080 445 R HA -0.289 4.051 4.340 -0.000 0.000 0.236 445 R C 2.468 178.915 176.300 0.245 0.000 1.137 445 R CA 2.161 58.336 56.100 0.125 0.000 0.943 445 R CB -0.908 29.384 30.300 -0.014 0.000 0.846 445 R HN 0.267 nan 8.270 nan 0.000 0.431 446 Y N 1.510 121.991 120.300 0.302 0.000 2.096 446 Y HA -0.343 4.207 4.550 -0.000 0.000 0.278 446 Y C 2.120 178.148 175.900 0.214 0.000 1.192 446 Y CA 2.474 60.758 58.100 0.307 0.000 1.143 446 Y CB -0.334 38.296 38.460 0.283 0.000 0.963 446 Y HN 0.012 nan 8.280 nan 0.000 0.505 447 V N 0.195 120.282 119.914 0.287 0.000 2.216 447 V HA -0.348 3.772 4.120 -0.000 0.000 0.242 447 V C 2.302 178.375 176.094 -0.035 0.000 1.042 447 V CA 2.201 64.494 62.300 -0.011 0.000 0.991 447 V CB -1.153 30.570 31.823 -0.165 0.000 0.633 447 V HN 0.291 nan 8.190 nan 0.000 0.449 448 R N 0.010 120.505 120.500 -0.008 0.000 2.191 448 R HA -0.327 4.013 4.340 -0.000 0.000 0.248 448 R C 2.449 178.743 176.300 -0.010 0.000 1.127 448 R CA 2.583 58.676 56.100 -0.012 0.000 0.943 448 R CB -0.657 29.645 30.300 0.003 0.000 0.891 448 R HN 0.731 nan 8.270 nan 0.000 0.439 449 E N 0.733 120.938 120.200 0.009 0.000 2.021 449 E HA -0.219 4.131 4.350 -0.000 0.000 0.200 449 E C 2.113 178.689 176.600 -0.039 0.000 1.015 449 E CA 1.431 57.826 56.400 -0.007 0.000 0.824 449 E CB -0.126 29.596 29.700 0.037 0.000 0.762 449 E HN 0.289 nan 8.360 nan 0.000 0.454 450 L N 0.808 121.974 121.223 -0.095 0.000 2.129 450 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 450 L C 2.403 179.283 176.870 0.018 0.000 1.087 450 L CA 1.369 56.174 54.840 -0.059 0.000 0.757 450 L CB -0.448 41.589 42.059 -0.036 0.000 0.896 450 L HN 0.204 nan 8.230 nan 0.000 0.434 451 S N 0.014 115.719 115.700 0.009 0.000 2.859 451 S HA 0.157 4.627 4.470 -0.000 0.000 0.245 451 S C 1.341 175.940 174.600 -0.002 0.000 1.008 451 S CA 0.209 58.414 58.200 0.009 0.000 1.089 451 S CB -0.468 62.716 63.200 -0.027 0.000 0.798 451 S HN 0.589 nan 8.310 nan 0.000 0.477 452 G N 0.783 109.581 108.800 -0.004 0.000 2.233 452 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.270 452 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.270 452 G C -0.165 174.729 174.900 -0.009 0.000 1.011 452 G CA 0.669 45.766 45.100 -0.006 0.000 0.762 452 G HN 0.802 nan 8.290 nan 0.000 0.511 453 E N 0.030 120.223 120.200 -0.011 0.000 2.280 453 E HA 0.693 5.042 4.350 -0.000 0.000 0.264 453 E C 0.607 177.200 176.600 -0.013 0.000 1.064 453 E CA -0.318 56.075 56.400 -0.011 0.000 0.900 453 E CB 0.914 30.606 29.700 -0.013 0.000 1.123 453 E HN 0.661 nan 8.360 nan 0.000 0.418 454 A N 2.421 125.234 122.820 -0.013 0.000 2.328 454 A HA 0.435 4.755 4.320 -0.000 0.000 0.284 454 A C -0.023 177.550 177.584 -0.019 0.000 1.160 454 A CA -0.483 51.545 52.037 -0.015 0.000 0.818 454 A CB 1.130 20.123 19.000 -0.012 0.000 1.087 454 A HN 0.464 nan 8.150 nan 0.000 0.504 455 V N 1.343 121.241 119.914 -0.027 0.000 3.643 455 V HA 0.245 4.365 4.120 -0.000 0.000 0.271 455 V C 0.648 176.708 176.094 -0.057 0.000 1.698 455 V CA 0.679 62.956 62.300 -0.039 0.000 1.113 455 V CB 0.079 31.875 31.823 -0.044 0.000 0.930 455 V HN 1.128 nan 8.190 nan 0.000 0.395 456 A N 0.004 122.793 122.820 -0.051 0.000 2.258 456 A HA 0.612 4.931 4.320 -0.000 0.000 0.316 456 A C 0.969 178.527 177.584 -0.043 0.000 1.279 456 A CA -0.018 51.983 52.037 -0.059 0.000 0.876 456 A CB 1.506 20.468 19.000 -0.063 0.000 1.170 456 A HN 0.021 nan 8.150 nan 0.000 0.520 457 V N 3.245 123.148 119.914 -0.019 0.000 2.380 457 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 457 V C 2.258 178.311 176.094 -0.068 0.000 1.063 457 V CA 2.282 64.581 62.300 -0.001 0.000 1.055 457 V CB -0.580 31.298 31.823 0.091 0.000 0.657 457 V HN 0.872 nan 8.190 nan 0.000 0.455 458 L N -0.573 120.555 121.223 -0.158 0.000 2.456 458 L HA -0.098 4.242 4.340 -0.000 0.000 0.224 458 L C 2.012 178.801 176.870 -0.135 0.000 1.148 458 L CA 1.053 55.752 54.840 -0.236 0.000 0.825 458 L CB -0.325 41.518 42.059 -0.361 0.000 0.937 458 L HN 0.430 nan 8.230 nan 0.000 0.450 459 E N -0.990 119.158 120.200 -0.087 0.000 2.474 459 E HA 0.074 4.424 4.350 -0.000 0.000 0.195 459 E C -0.015 176.560 176.600 -0.041 0.000 1.039 459 E CA -0.224 56.141 56.400 -0.058 0.000 0.881 459 E CB 0.736 30.409 29.700 -0.045 0.000 0.970 459 E HN 0.129 nan 8.360 nan 0.000 0.486 460 V N 3.211 123.103 119.914 -0.037 0.000 2.461 460 V HA 0.112 4.232 4.120 -0.000 0.000 0.275 460 V C 0.236 176.319 176.094 -0.018 0.000 1.047 460 V CA -0.091 62.197 62.300 -0.021 0.000 0.955 460 V CB 0.829 32.646 31.823 -0.011 0.000 0.988 460 V HN 0.197 nan 8.190 nan 0.000 0.471 461 M N 5.554 125.146 119.600 -0.013 0.000 2.367 461 M HA 0.525 5.005 4.480 -0.000 0.000 0.339 461 M C -1.783 174.516 176.300 -0.003 0.000 1.177 461 M CA -1.876 53.419 55.300 -0.009 0.000 1.068 461 M CB 0.102 32.696 32.600 -0.009 0.000 1.602 461 M HN 0.398 nan 8.290 nan 0.000 0.457 462 P HA 0.000 nan 4.420 nan 0.000 0.216 462 P CA 0.000 63.103 63.100 0.005 0.000 0.800 462 P CB 0.000 31.705 31.700 0.008 0.000 0.726