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 1mo9_1_A DATA FIRST_RESID 2 DATA SEQUENCE KVWNARNDHL TINQWATRID EILEAPDGGE VIYNVDENDP REYDAIFIGG DATA SEQUENCE GAAGRFGSAY LRAMGGRQLI VDRWPFLGGS cPHNAcVPHH LFSDCAAELM DATA SEQUENCE LARTFSGQYW FPDMTEKVVG IKEVVDLFRA GRNGPHGIMN FQSKEQLNLE DATA SEQUENCE YILNCPAKVI DNHTVEAAGK VFKAKNLILA VGAGPGTLDV PGVNAKGVFD DATA SEQUENCE HATLVEELDY EPGSTVVVVG GSKTAVEYGC FFNATGRRTV MLVRTEPLKL DATA SEQUENCE IKDNETRAYV LDRMKEQGME IISGSNVTRI EEDANGRVQA VVAMTPNGEM DATA SEQUENCE RIETDFVFLG LGEQPRSAEL AKILGLDLGP KGEVLVNEYL QTSVPNVYAV DATA SEQUENCE GDLIGGPMEM FKARKSGCYA ARNVMGEKIS YTPKNYPDFL HTHYEVSFLG DATA SEQUENCE MGEEEARAAG HEIVTIKMPP DTENGLNVAL PASDRTMLYA FGKGTAHMSG DATA SEQUENCE FQKIVIDAKT RKVLGAHHVG YGAKDAFQYL NVLIKQGLTV DELGDMDELF DATA SEQUENCE LNPTHFIQLS RLRAGSKNLV SL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.663 176.600 0.104 0.000 0.988 2 K CA 0.000 56.329 56.287 0.070 0.000 0.838 2 K CB 0.000 32.542 32.500 0.070 0.000 1.064 3 V N 4.495 124.467 119.914 0.097 0.000 2.384 3 V HA 0.431 4.566 4.120 0.025 0.000 0.287 3 V C -0.354 175.863 176.094 0.205 0.000 1.020 3 V CA -0.854 61.520 62.300 0.123 0.000 0.850 3 V CB 1.238 33.060 31.823 -0.002 0.000 0.987 3 V HN 0.689 nan 8.190 nan 0.000 0.436 4 W N 6.409 127.759 121.300 0.082 0.000 2.332 4 W HA 0.409 5.079 4.660 0.017 0.000 0.306 4 W C 0.125 176.725 176.519 0.136 0.000 1.149 4 W CA -1.219 56.178 57.345 0.086 0.000 1.271 4 W CB 0.625 30.141 29.460 0.093 0.000 1.243 4 W HN 0.574 nan 8.180 nan 0.000 0.459 5 N N 4.846 123.597 118.700 0.085 0.000 2.415 5 N HA 0.198 4.953 4.740 0.025 0.000 0.250 5 N C 0.354 175.645 175.510 -0.366 0.000 1.127 5 N CA 0.407 53.427 53.050 -0.050 0.000 0.945 5 N CB 1.185 39.708 38.487 0.061 0.000 1.196 5 N HN 0.580 nan 8.380 nan 0.000 0.499 6 A N 3.677 126.038 122.820 -0.765 0.000 2.275 6 A HA 0.049 4.384 4.320 0.025 0.000 0.212 6 A C 2.009 179.348 177.584 -0.407 0.000 1.201 6 A CA -0.083 51.425 52.037 -0.882 0.000 0.843 6 A CB -0.033 18.069 19.000 -1.496 0.000 0.873 6 A HN 0.598 nan 8.150 nan 0.000 0.492 7 R N 1.640 121.973 120.500 -0.278 0.000 2.113 7 R HA -0.129 4.226 4.340 0.025 0.000 0.244 7 R C 0.778 176.946 176.300 -0.220 0.000 1.142 7 R CA 2.267 58.237 56.100 -0.217 0.000 0.953 7 R CB -0.434 29.797 30.300 -0.116 0.000 0.860 7 R HN 0.484 nan 8.270 nan 0.000 0.438 8 N N 0.695 119.298 118.700 -0.162 0.000 2.268 8 N HA 0.024 4.779 4.740 0.025 0.000 0.204 8 N C -0.861 174.493 175.510 -0.260 0.000 1.124 8 N CA 0.156 53.121 53.050 -0.142 0.000 0.838 8 N CB 0.306 38.793 38.487 0.001 0.000 0.994 8 N HN 0.214 nan 8.380 nan 0.000 0.489 9 D N 0.056 120.251 120.400 -0.341 0.000 2.193 9 D HA 0.236 4.891 4.640 0.025 0.000 0.249 9 D C 0.081 176.069 176.300 -0.520 0.000 1.034 9 D CA 0.136 54.004 54.000 -0.220 0.000 0.902 9 D CB 1.000 41.837 40.800 0.061 0.000 1.182 9 D HN 0.098 nan 8.370 nan 0.000 0.436 10 H N 2.104 121.220 119.070 0.076 0.000 2.448 10 H HA 0.210 4.783 4.556 0.029 0.000 0.237 10 H C -0.389 175.003 175.328 0.107 0.000 1.391 10 H CA -0.536 55.577 56.048 0.108 0.000 1.477 10 H CB 0.256 30.077 29.762 0.097 0.000 1.520 10 H HN 0.066 nan 8.280 nan 0.000 0.502 11 L N 2.094 123.357 121.223 0.067 0.000 2.452 11 L HA 0.075 4.430 4.340 0.025 0.000 0.267 11 L C 1.609 178.619 176.870 0.233 0.000 1.188 11 L CA 0.156 54.956 54.840 -0.066 0.000 0.821 11 L CB 0.583 42.237 42.059 -0.675 0.000 1.102 11 L HN 0.490 nan 8.230 nan 0.000 0.470 12 T N -1.316 113.331 114.554 0.155 0.000 2.788 12 T HA 0.351 4.717 4.350 0.025 0.000 0.280 12 T C 1.500 176.316 174.700 0.194 0.000 0.984 12 T CA -0.504 61.682 62.100 0.143 0.000 0.972 12 T CB 0.438 69.316 68.868 0.017 0.000 1.039 12 T HN 0.391 nan 8.240 nan 0.000 0.530 13 I N 1.050 121.575 120.570 -0.075 0.000 2.163 13 I HA -0.204 3.981 4.170 0.025 0.000 0.243 13 I C 2.618 178.813 176.117 0.130 0.000 1.085 13 I CA 1.717 63.035 61.300 0.029 0.000 1.347 13 I CB -0.557 37.322 38.000 -0.202 0.000 1.044 13 I HN 0.726 nan 8.210 nan 0.000 0.408 14 N N -0.064 118.660 118.700 0.040 0.000 2.331 14 N HA -0.170 4.585 4.740 0.025 0.000 0.180 14 N C 1.798 177.352 175.510 0.073 0.000 1.019 14 N CA 0.627 53.704 53.050 0.045 0.000 0.881 14 N CB 0.008 38.494 38.487 -0.001 0.000 0.972 14 N HN 0.451 nan 8.380 nan 0.000 0.435 15 Q N -0.329 119.511 119.800 0.067 0.000 2.123 15 Q HA -0.106 4.249 4.340 0.025 0.000 0.199 15 Q C 1.406 177.452 176.000 0.076 0.000 0.966 15 Q CA 1.041 56.855 55.803 0.020 0.000 0.845 15 Q CB -0.067 28.642 28.738 -0.049 0.000 0.907 15 Q HN 0.504 nan 8.270 nan 0.000 0.439 16 W N 0.636 122.012 121.300 0.127 0.000 2.381 16 W HA -0.161 4.510 4.660 0.017 0.000 0.301 16 W C 2.503 179.098 176.519 0.128 0.000 1.205 16 W CA 0.903 58.351 57.345 0.172 0.000 1.285 16 W CB -0.065 29.523 29.460 0.213 0.000 1.133 16 W HN 0.164 nan 8.180 nan 0.000 0.521 17 A N -0.270 122.751 122.820 0.335 0.000 1.883 17 A HA -0.238 4.098 4.320 0.025 0.000 0.217 17 A C 1.812 179.489 177.584 0.155 0.000 1.186 17 A CA 2.535 54.690 52.037 0.196 0.000 0.624 17 A CB -1.321 17.736 19.000 0.094 0.000 0.822 17 A HN 0.241 nan 8.150 nan 0.000 0.444 18 T N -0.851 113.773 114.554 0.117 0.000 2.777 18 T HA -0.125 4.240 4.350 0.025 0.000 0.266 18 T C 2.126 176.877 174.700 0.085 0.000 1.040 18 T CA 1.676 63.818 62.100 0.071 0.000 1.141 18 T CB -0.224 68.661 68.868 0.028 0.000 0.868 18 T HN 0.491 nan 8.240 nan 0.000 0.444 19 R N 1.265 121.830 120.500 0.108 0.000 2.081 19 R HA 0.077 4.432 4.340 0.025 0.000 0.235 19 R C 2.161 178.587 176.300 0.209 0.000 1.131 19 R CA 1.374 57.534 56.100 0.100 0.000 0.960 19 R CB -0.977 29.355 30.300 0.053 0.000 0.856 19 R HN 0.449 nan 8.270 nan 0.000 0.436 20 I N 0.339 121.099 120.570 0.316 0.000 2.226 20 I HA -0.242 3.943 4.170 0.025 0.000 0.245 20 I C 1.958 178.206 176.117 0.218 0.000 1.100 20 I CA 1.830 63.318 61.300 0.312 0.000 1.374 20 I CB -0.470 37.729 38.000 0.331 0.000 1.057 20 I HN 0.282 nan 8.210 nan 0.000 0.413 21 D N 0.978 121.478 120.400 0.166 0.000 2.104 21 D HA -0.224 4.431 4.640 0.025 0.000 0.194 21 D C 2.044 178.408 176.300 0.107 0.000 0.994 21 D CA 1.577 55.649 54.000 0.119 0.000 0.830 21 D CB 0.054 40.898 40.800 0.073 0.000 0.959 21 D HN 0.328 nan 8.370 nan 0.000 0.452 22 E N -0.237 120.018 120.200 0.091 0.000 2.058 22 E HA -0.165 4.200 4.350 0.025 0.000 0.194 22 E C 2.415 179.067 176.600 0.087 0.000 0.997 22 E CA 0.969 57.409 56.400 0.066 0.000 0.801 22 E CB -0.128 29.590 29.700 0.030 0.000 0.746 22 E HN 0.444 nan 8.360 nan 0.000 0.450 23 I N 0.951 121.593 120.570 0.119 0.000 2.286 23 I HA -0.268 3.918 4.170 0.025 0.000 0.248 23 I C 2.345 178.550 176.117 0.148 0.000 1.115 23 I CA 0.913 62.296 61.300 0.139 0.000 1.392 23 I CB -0.176 37.940 38.000 0.192 0.000 1.065 23 I HN 0.119 nan 8.210 nan 0.000 0.418 24 L N 0.222 121.545 121.223 0.167 0.000 2.141 24 L HA -0.163 4.192 4.340 0.025 0.000 0.209 24 L C 2.102 179.065 176.870 0.154 0.000 1.094 24 L CA 1.078 56.027 54.840 0.183 0.000 0.763 24 L CB -0.332 41.852 42.059 0.209 0.000 0.908 24 L HN 0.249 nan 8.230 nan 0.000 0.437 25 E N 0.116 120.390 120.200 0.123 0.000 2.474 25 E HA 0.171 4.536 4.350 0.025 0.000 0.195 25 E C 0.658 177.309 176.600 0.085 0.000 1.039 25 E CA 0.075 56.536 56.400 0.101 0.000 0.881 25 E CB 0.130 29.879 29.700 0.082 0.000 0.970 25 E HN 0.253 nan 8.360 nan 0.000 0.486 26 A N 2.783 125.655 122.820 0.086 0.000 2.522 26 A HA 0.192 4.528 4.320 0.025 0.000 0.256 26 A C -1.352 176.274 177.584 0.071 0.000 1.086 26 A CA -0.863 51.216 52.037 0.070 0.000 0.763 26 A CB 0.224 19.266 19.000 0.071 0.000 1.024 26 A HN -0.110 nan 8.150 nan 0.000 0.502 27 P HA -0.180 nan 4.420 nan 0.000 0.216 27 P C 0.594 177.927 177.300 0.055 0.000 1.150 27 P CA 1.774 64.907 63.100 0.056 0.000 0.837 27 P CB 0.071 31.799 31.700 0.046 0.000 0.786 28 D N -2.550 117.882 120.400 0.052 0.000 2.349 28 D HA 0.098 4.753 4.640 0.025 0.000 0.224 28 D C 1.434 177.769 176.300 0.059 0.000 1.029 28 D CA 0.848 54.878 54.000 0.050 0.000 0.879 28 D CB -0.694 40.132 40.800 0.044 0.000 0.906 28 D HN 0.253 nan 8.370 nan 0.000 0.528 29 G N -1.182 107.660 108.800 0.071 0.000 2.238 29 G HA2 0.101 4.076 3.960 0.025 0.000 0.217 29 G HA3 0.101 4.076 3.960 0.025 0.000 0.217 29 G C 0.792 175.749 174.900 0.095 0.000 0.996 29 G CA 0.075 45.224 45.100 0.081 0.000 0.632 29 G HN 1.352 nan 8.290 nan 0.000 0.503 30 G N -0.165 108.688 108.800 0.089 0.000 2.699 30 G HA2 0.391 4.366 3.960 0.025 0.000 0.686 30 G HA3 0.391 4.366 3.960 0.025 0.000 0.686 30 G C -0.182 174.788 174.900 0.116 0.000 1.301 30 G CA 0.696 45.858 45.100 0.103 0.000 0.816 30 G HN 1.831 nan 8.290 nan 0.000 0.595 31 E N -0.572 119.710 120.200 0.136 0.000 2.374 31 E HA 0.545 4.910 4.350 0.025 0.000 0.260 31 E C 0.164 176.899 176.600 0.226 0.000 1.101 31 E CA -0.856 55.647 56.400 0.171 0.000 0.907 31 E CB 1.395 31.207 29.700 0.187 0.000 1.014 31 E HN 0.547 nan 8.360 nan 0.000 0.427 32 V N 2.750 122.799 119.914 0.226 0.000 2.649 32 V HA 0.141 4.276 4.120 0.025 0.000 0.292 32 V C 0.378 176.664 176.094 0.321 0.000 1.055 32 V CA -0.329 62.111 62.300 0.233 0.000 1.023 32 V CB 0.771 32.710 31.823 0.193 0.000 0.992 32 V HN 0.559 nan 8.190 nan 0.000 0.480 33 I N 5.141 125.891 120.570 0.299 0.000 2.291 33 I HA 0.249 4.435 4.170 0.025 0.000 0.290 33 I C -0.893 175.323 176.117 0.165 0.000 1.050 33 I CA -0.315 61.145 61.300 0.266 0.000 1.245 33 I CB 0.388 38.593 38.000 0.341 0.000 1.405 33 I HN 0.576 nan 8.210 nan 0.000 0.478 34 Y N 7.003 127.246 120.300 -0.095 0.000 2.417 34 Y HA 0.323 4.907 4.550 0.056 0.000 0.336 34 Y C -0.040 175.724 175.900 -0.227 0.000 0.961 34 Y CA -0.603 57.439 58.100 -0.098 0.000 1.215 34 Y CB 0.747 39.186 38.460 -0.035 0.000 1.120 34 Y HN 0.537 nan 8.280 nan 0.000 0.499 35 N N 5.290 123.699 118.700 -0.486 0.000 2.904 35 N HA 0.363 5.119 4.740 0.025 0.000 0.257 35 N C -2.240 172.930 175.510 -0.566 0.000 1.363 35 N CA -0.199 52.513 53.050 -0.564 0.000 0.856 35 N CB 0.530 38.477 38.487 -0.900 0.000 1.166 35 N HN 0.276 nan 8.380 nan 0.000 0.499 36 V N 1.101 120.718 119.914 -0.495 0.000 2.680 36 V HA 0.335 4.471 4.120 0.025 0.000 0.309 36 V C -0.424 175.606 176.094 -0.106 0.000 1.052 36 V CA -0.990 61.120 62.300 -0.318 0.000 0.908 36 V CB 1.907 33.495 31.823 -0.392 0.000 1.001 36 V HN 0.410 nan 8.190 nan 0.000 0.431 37 D N 3.012 123.383 120.400 -0.047 0.000 2.422 37 D HA 0.127 4.783 4.640 0.025 0.000 0.227 37 D C 1.012 177.328 176.300 0.027 0.000 1.190 37 D CA -0.108 53.881 54.000 -0.019 0.000 0.905 37 D CB 0.990 41.769 40.800 -0.034 0.000 1.034 37 D HN 0.493 nan 8.370 nan 0.000 0.507 38 E N 2.421 122.655 120.200 0.058 0.000 2.478 38 E HA -0.068 4.297 4.350 0.025 0.000 0.198 38 E C 0.519 177.142 176.600 0.039 0.000 1.046 38 E CA 0.325 56.773 56.400 0.081 0.000 0.870 38 E CB 0.268 30.032 29.700 0.107 0.000 0.818 38 E HN 0.483 nan 8.360 nan 0.000 0.527 39 N N 0.910 119.620 118.700 0.016 0.000 2.254 39 N HA -0.051 4.704 4.740 0.025 0.000 0.190 39 N C 0.021 175.522 175.510 -0.015 0.000 1.107 39 N CA 0.096 53.148 53.050 0.003 0.000 0.869 39 N CB 0.414 38.902 38.487 0.003 0.000 0.983 39 N HN 0.054 nan 8.380 nan 0.000 0.487 40 D N 2.101 122.484 120.400 -0.029 0.000 2.325 40 D HA 0.108 4.764 4.640 0.025 0.000 0.251 40 D C -1.378 174.878 176.300 -0.073 0.000 1.196 40 D CA -1.624 52.342 54.000 -0.057 0.000 0.866 40 D CB 1.576 42.328 40.800 -0.080 0.000 1.101 40 D HN 0.099 nan 8.370 nan 0.000 0.476 41 P HA 0.052 nan 4.420 nan 0.000 0.245 41 P C 0.097 177.346 177.300 -0.084 0.000 1.206 41 P CA -0.037 63.027 63.100 -0.061 0.000 0.781 41 P CB 0.543 32.219 31.700 -0.039 0.000 0.994 42 R N 1.235 121.670 120.500 -0.109 0.000 2.643 42 R HA 0.169 4.524 4.340 0.025 0.000 0.270 42 R C 0.514 176.708 176.300 -0.177 0.000 1.061 42 R CA -0.040 55.990 56.100 -0.116 0.000 1.107 42 R CB 0.407 30.642 30.300 -0.108 0.000 0.999 42 R HN 0.242 nan 8.270 nan 0.000 0.460 43 E N 1.297 121.432 120.200 -0.108 0.000 2.390 43 E HA 0.007 4.373 4.350 0.025 0.000 0.261 43 E C -0.832 175.712 176.600 -0.092 0.000 1.076 43 E CA -0.103 56.251 56.400 -0.078 0.000 0.905 43 E CB 0.463 30.166 29.700 0.006 0.000 0.984 43 E HN 0.322 nan 8.360 nan 0.000 0.427 44 Y N 1.671 122.011 120.300 0.066 0.000 2.377 44 Y HA -0.031 4.534 4.550 0.024 0.000 0.330 44 Y C 1.251 177.183 175.900 0.054 0.000 1.108 44 Y CA 0.113 58.249 58.100 0.060 0.000 1.308 44 Y CB 0.582 39.085 38.460 0.072 0.000 1.216 44 Y HN 0.555 nan 8.280 nan 0.000 0.518 45 D N 2.146 122.667 120.400 0.202 0.000 2.194 45 D HA 0.101 4.756 4.640 0.025 0.000 0.204 45 D C 0.137 176.492 176.300 0.093 0.000 0.964 45 D CA 0.999 55.073 54.000 0.123 0.000 0.846 45 D CB 0.414 41.267 40.800 0.089 0.000 0.962 45 D HN 0.508 nan 8.370 nan 0.000 0.490 46 A N 0.218 123.099 122.820 0.101 0.000 2.566 46 A HA 0.562 4.897 4.320 0.025 0.000 0.297 46 A C -1.325 176.223 177.584 -0.060 0.000 1.059 46 A CA -0.587 51.415 52.037 -0.058 0.000 0.691 46 A CB 1.228 20.058 19.000 -0.284 0.000 1.282 46 A HN 0.003 nan 8.150 nan 0.000 0.401 47 I N 1.711 122.190 120.570 -0.152 0.000 2.378 47 I HA 0.407 4.593 4.170 0.025 0.000 0.291 47 I C -1.195 174.826 176.117 -0.159 0.000 0.992 47 I CA -0.373 60.843 61.300 -0.139 0.000 1.154 47 I CB 1.364 39.269 38.000 -0.158 0.000 1.315 47 I HN 0.558 nan 8.210 nan 0.000 0.448 48 F N 6.425 126.308 119.950 -0.111 0.000 2.405 48 F HA 0.350 4.889 4.527 0.021 0.000 0.355 48 F C 0.350 176.103 175.800 -0.080 0.000 1.121 48 F CA -0.641 57.317 58.000 -0.070 0.000 1.112 48 F CB 0.852 39.819 39.000 -0.056 0.000 1.126 48 F HN 0.174 nan 8.300 nan 0.000 0.481 49 I N 4.008 124.622 120.570 0.075 0.000 2.269 49 I HA 0.450 4.635 4.170 0.025 0.000 0.293 49 I C 0.543 176.686 176.117 0.043 0.000 1.106 49 I CA -0.311 61.003 61.300 0.024 0.000 1.248 49 I CB -0.468 37.528 38.000 -0.007 0.000 1.444 49 I HN 0.684 nan 8.210 nan 0.000 0.497 50 G N 3.904 112.719 108.800 0.026 0.000 2.841 50 G HA2 0.112 4.087 3.960 0.025 0.000 0.684 50 G HA3 0.112 4.087 3.960 0.025 0.000 0.684 50 G C -0.045 174.869 174.900 0.024 0.000 1.273 50 G CA -0.529 44.578 45.100 0.011 0.000 0.811 50 G HN 0.863 nan 8.290 nan 0.000 0.631 51 G N 0.401 109.186 108.800 -0.025 0.000 4.331 51 G HA2 0.688 4.663 3.960 0.025 0.000 0.299 51 G HA3 0.688 4.663 3.960 0.025 0.000 0.299 51 G C 0.861 175.754 174.900 -0.013 0.000 1.158 51 G CA 0.987 46.049 45.100 -0.063 0.000 0.916 51 G HN 1.319 nan 8.290 nan 0.000 0.553 52 G N 0.005 108.837 108.800 0.054 0.000 2.504 52 G HA2 0.439 4.414 3.960 0.025 0.000 0.257 52 G HA3 0.439 4.414 3.960 0.025 0.000 0.257 52 G C 1.545 176.514 174.900 0.115 0.000 1.451 52 G CA 0.440 45.610 45.100 0.116 0.000 1.059 52 G HN 0.428 nan 8.290 nan 0.000 0.550 53 A N -0.622 122.273 122.820 0.125 0.000 1.892 53 A HA 0.056 4.391 4.320 0.025 0.000 0.218 53 A C 2.748 180.409 177.584 0.129 0.000 1.188 53 A CA 3.089 55.197 52.037 0.120 0.000 0.631 53 A CB -1.081 17.932 19.000 0.021 0.000 0.822 53 A HN 1.259 nan 8.150 nan 0.000 0.447 54 A N -0.877 121.994 122.820 0.084 0.000 1.873 54 A HA 0.195 4.530 4.320 0.025 0.000 0.215 54 A C 2.435 180.102 177.584 0.138 0.000 1.186 54 A CA 1.858 53.957 52.037 0.103 0.000 0.616 54 A CB -1.348 17.705 19.000 0.088 0.000 0.823 54 A HN 0.756 nan 8.150 nan 0.000 0.442 55 G N -0.916 107.948 108.800 0.106 0.000 2.408 55 G HA2 -0.194 3.781 3.960 0.025 0.000 0.217 55 G HA3 -0.194 3.781 3.960 0.025 0.000 0.217 55 G C 1.765 176.490 174.900 -0.292 0.000 1.150 55 G CA 0.931 46.035 45.100 0.006 0.000 0.776 55 G HN 0.512 nan 8.290 nan 0.000 0.542 56 R N -0.868 119.567 120.500 -0.108 0.000 2.062 56 R HA 0.072 4.428 4.340 0.025 0.000 0.229 56 R C 2.270 178.473 176.300 -0.162 0.000 1.128 56 R CA 0.903 56.910 56.100 -0.155 0.000 0.960 56 R CB -0.331 29.941 30.300 -0.048 0.000 0.855 56 R HN 0.382 nan 8.270 nan 0.000 0.432 57 F N -0.222 119.661 119.950 -0.110 0.000 2.146 57 F HA -0.027 4.515 4.527 0.025 0.000 0.298 57 F C 2.398 178.173 175.800 -0.041 0.000 1.096 57 F CA 1.448 59.421 58.000 -0.045 0.000 1.275 57 F CB -0.483 38.518 39.000 0.003 0.000 1.008 57 F HN 0.214 nan 8.300 nan 0.000 0.480 58 G N -1.162 107.685 108.800 0.077 0.000 2.418 58 G HA2 -0.241 3.734 3.960 0.025 0.000 0.217 58 G HA3 -0.241 3.734 3.960 0.025 0.000 0.217 58 G C 1.854 176.683 174.900 -0.119 0.000 1.158 58 G CA 1.135 46.298 45.100 0.106 0.000 0.771 58 G HN 0.319 nan 8.290 nan 0.000 0.545 59 S N 0.860 116.146 115.700 -0.690 0.000 2.368 59 S HA 0.021 4.506 4.470 0.025 0.000 0.224 59 S C 2.806 177.283 174.600 -0.205 0.000 1.029 59 S CA 1.153 58.998 58.200 -0.592 0.000 0.988 59 S CB -0.359 62.416 63.200 -0.708 0.000 0.838 59 S HN 0.585 nan 8.310 nan 0.000 0.462 60 A N 0.177 122.875 122.820 -0.204 0.000 1.908 60 A HA -0.139 4.197 4.320 0.025 0.000 0.218 60 A C 1.968 179.504 177.584 -0.080 0.000 1.181 60 A CA 1.549 53.485 52.037 -0.169 0.000 0.627 60 A CB -0.903 17.924 19.000 -0.288 0.000 0.818 60 A HN 0.570 nan 8.150 nan 0.000 0.445 61 Y N -0.379 119.869 120.300 -0.086 0.000 2.200 61 Y HA -0.073 4.491 4.550 0.024 0.000 0.290 61 Y C 2.139 178.034 175.900 -0.009 0.000 1.137 61 Y CA 1.642 59.726 58.100 -0.027 0.000 1.163 61 Y CB -0.192 38.281 38.460 0.022 0.000 0.988 61 Y HN 0.291 nan 8.280 nan 0.000 0.518 62 L N -0.191 121.155 121.223 0.204 0.000 2.046 62 L HA -0.243 4.112 4.340 0.025 0.000 0.208 62 L C 2.596 179.500 176.870 0.057 0.000 1.077 62 L CA 1.784 56.721 54.840 0.162 0.000 0.747 62 L CB -0.277 41.921 42.059 0.232 0.000 0.896 62 L HN 0.101 nan 8.230 nan 0.000 0.432 63 R N 0.171 120.678 120.500 0.012 0.000 2.092 63 R HA -0.098 4.257 4.340 0.025 0.000 0.231 63 R C 2.113 178.372 176.300 -0.069 0.000 1.119 63 R CA 1.564 57.649 56.100 -0.025 0.000 0.970 63 R CB -0.638 29.634 30.300 -0.048 0.000 0.864 63 R HN 0.485 nan 8.270 nan 0.000 0.440 64 A N 0.079 122.825 122.820 -0.125 0.000 1.972 64 A HA -0.114 4.221 4.320 0.025 0.000 0.219 64 A C 2.022 179.506 177.584 -0.166 0.000 1.169 64 A CA 1.584 53.511 52.037 -0.184 0.000 0.635 64 A CB -0.418 18.390 19.000 -0.320 0.000 0.810 64 A HN 0.403 nan 8.150 nan 0.000 0.446 65 M N -1.358 118.162 119.600 -0.133 0.000 2.618 65 M HA 0.139 4.634 4.480 0.025 0.000 0.240 65 M C 1.333 177.612 176.300 -0.035 0.000 1.123 65 M CA 0.830 56.087 55.300 -0.073 0.000 1.060 65 M CB 0.167 32.767 32.600 0.000 0.000 1.535 65 M HN 0.639 nan 8.290 nan 0.000 0.507 66 G N 0.194 108.972 108.800 -0.036 0.000 2.157 66 G HA2 -0.166 3.809 3.960 0.025 0.000 0.239 66 G HA3 -0.166 3.809 3.960 0.025 0.000 0.239 66 G C 0.221 175.118 174.900 -0.005 0.000 0.982 66 G CA -0.256 44.830 45.100 -0.023 0.000 0.650 66 G HN 0.614 nan 8.290 nan 0.000 0.527 67 G N -0.872 107.936 108.800 0.013 0.000 2.522 67 G HA2 0.635 4.611 3.960 0.025 0.000 0.304 67 G HA3 0.635 4.611 3.960 0.025 0.000 0.304 67 G C -0.175 174.754 174.900 0.048 0.000 1.210 67 G CA -0.388 44.734 45.100 0.035 0.000 0.960 67 G HN 0.467 nan 8.290 nan 0.000 0.497 68 R N -0.075 120.468 120.500 0.071 0.000 2.514 68 R HA 0.493 4.848 4.340 0.025 0.000 0.301 68 R C -0.692 175.765 176.300 0.262 0.000 0.962 68 R CA -0.553 55.611 56.100 0.106 0.000 0.882 68 R CB 1.323 31.619 30.300 -0.006 0.000 1.143 68 R HN 0.680 nan 8.270 nan 0.000 0.452 69 Q N 2.996 122.976 119.800 0.299 0.000 2.528 69 Q HA 0.604 4.959 4.340 0.025 0.000 0.289 69 Q C -1.833 174.267 176.000 0.166 0.000 1.091 69 Q CA -1.000 54.989 55.803 0.309 0.000 0.797 69 Q CB 1.794 30.707 28.738 0.291 0.000 1.466 69 Q HN 0.413 nan 8.270 nan 0.000 0.436 70 L N 0.618 121.809 121.223 -0.054 0.000 2.470 70 L HA 0.671 5.026 4.340 0.025 0.000 0.268 70 L C -1.897 174.895 176.870 -0.130 0.000 0.964 70 L CA -0.571 54.080 54.840 -0.315 0.000 0.839 70 L CB 1.975 43.463 42.059 -0.952 0.000 1.276 70 L HN 0.877 nan 8.230 nan 0.000 0.403 71 I N 4.976 125.475 120.570 -0.117 0.000 2.412 71 I HA 0.614 4.799 4.170 0.025 0.000 0.296 71 I C -0.857 175.196 176.117 -0.106 0.000 0.987 71 I CA -0.925 60.339 61.300 -0.061 0.000 1.180 71 I CB 2.012 39.961 38.000 -0.086 0.000 1.340 71 I HN 0.298 nan 8.210 nan 0.000 0.455 72 V N 5.008 124.872 119.914 -0.084 0.000 2.531 72 V HA 0.459 4.595 4.120 0.025 0.000 0.301 72 V C -0.778 175.270 176.094 -0.077 0.000 1.034 72 V CA -0.559 61.686 62.300 -0.091 0.000 0.865 72 V CB 1.953 33.721 31.823 -0.093 0.000 0.995 72 V HN 0.671 nan 8.190 nan 0.000 0.424 73 D N 2.956 123.301 120.400 -0.092 0.000 2.819 73 D HA 0.318 4.973 4.640 0.025 0.000 0.232 73 D C 0.795 177.016 176.300 -0.131 0.000 1.160 73 D CA -0.627 53.300 54.000 -0.122 0.000 0.858 73 D CB 2.645 43.353 40.800 -0.153 0.000 1.610 73 D HN 0.624 nan 8.370 nan 0.000 0.481 74 R N 1.522 121.914 120.500 -0.181 0.000 2.236 74 R HA 0.042 4.397 4.340 0.025 0.000 0.208 74 R C 0.455 176.645 176.300 -0.183 0.000 1.036 74 R CA 0.059 56.046 56.100 -0.188 0.000 1.001 74 R CB 0.206 30.355 30.300 -0.252 0.000 0.896 74 R HN 0.251 nan 8.270 nan 0.000 0.464 75 W N 2.224 123.302 121.300 -0.370 0.000 2.303 75 W HA 0.266 4.940 4.660 0.024 0.000 0.334 75 W C -1.795 174.383 176.519 -0.568 0.000 1.197 75 W CA -2.667 54.309 57.345 -0.615 0.000 1.262 75 W CB 0.957 29.658 29.460 -1.265 0.000 1.153 75 W HN -0.100 nan 8.180 nan 0.000 0.596 76 P HA 0.001 nan 4.420 nan 0.000 0.255 76 P C -0.630 176.632 177.300 -0.063 0.000 1.301 76 P CA 0.586 63.671 63.100 -0.025 0.000 0.817 76 P CB -0.187 31.605 31.700 0.154 0.000 1.259 77 F N -1.933 117.896 119.950 -0.202 0.000 2.643 77 F HA 0.631 5.177 4.527 0.032 0.000 0.314 77 F C -1.049 174.557 175.800 -0.322 0.000 1.096 77 F CA -1.968 55.821 58.000 -0.351 0.000 0.953 77 F CB 0.545 39.200 39.000 -0.575 0.000 1.345 77 F HN -0.397 nan 8.300 nan 0.000 0.468 78 L N 0.644 121.796 121.223 -0.118 0.000 2.358 78 L HA 0.753 5.108 4.340 0.025 0.000 0.268 78 L C 0.854 177.793 176.870 0.114 0.000 1.032 78 L CA -0.201 54.561 54.840 -0.131 0.000 0.805 78 L CB 1.605 43.478 42.059 -0.310 0.000 1.253 78 L HN 1.158 nan 8.230 nan 0.000 0.452 79 G N 0.048 108.917 108.800 0.115 0.000 2.316 79 G HA2 0.050 4.025 3.960 0.025 0.000 0.203 79 G HA3 0.050 4.025 3.960 0.025 0.000 0.203 79 G C 0.574 175.623 174.900 0.249 0.000 0.999 79 G CA -0.170 45.043 45.100 0.188 0.000 0.649 79 G HN 1.423 nan 8.290 nan 0.000 0.489 80 G N -0.119 108.874 108.800 0.322 0.000 2.562 80 G HA2 0.069 4.044 3.960 0.025 0.000 0.250 80 G HA3 0.069 4.044 3.960 0.025 0.000 0.250 80 G C 1.515 176.712 174.900 0.496 0.000 1.269 80 G CA 2.241 47.595 45.100 0.424 0.000 0.919 80 G HN 2.012 nan 8.290 nan 0.000 0.574 81 S N -1.033 114.974 115.700 0.511 0.000 2.382 81 S HA -0.161 4.324 4.470 0.025 0.000 0.228 81 S C 2.528 177.329 174.600 0.335 0.000 1.027 81 S CA 2.390 60.884 58.200 0.490 0.000 0.991 81 S CB -1.043 62.437 63.200 0.467 0.000 0.823 81 S HN 1.797 nan 8.310 nan 0.000 0.469 82 c N 3.614 122.362 118.600 0.246 0.000 2.367 82 c HA -0.031 4.554 4.570 0.025 0.000 0.276 82 c C 0.097 174.287 174.090 0.167 0.000 1.195 82 c CA 1.718 58.153 56.329 0.176 0.000 1.756 82 c CB -1.389 41.197 42.510 0.126 0.000 2.046 82 c HN 0.586 nan 8.230 nan 0.000 0.453 83 P HA -0.084 nan 4.420 nan 0.000 0.222 83 P C 0.879 178.290 177.300 0.185 0.000 1.153 83 P CA 1.790 64.965 63.100 0.124 0.000 0.798 83 P CB -0.295 31.459 31.700 0.089 0.000 0.796 84 H N 1.248 120.389 119.070 0.119 0.000 2.431 84 H HA 0.023 4.596 4.556 0.029 0.000 0.295 84 H C 1.036 176.562 175.328 0.329 0.000 1.038 84 H CA 1.859 57.955 56.048 0.080 0.000 1.360 84 H CB 0.165 29.765 29.762 -0.269 0.000 1.433 84 H HN 0.176 nan 8.280 nan 0.000 0.536 85 N N -1.943 116.963 118.700 0.343 0.000 2.036 85 N HA 0.227 4.982 4.740 0.025 0.000 0.224 85 N C -0.082 175.670 175.510 0.403 0.000 1.381 85 N CA 0.406 53.658 53.050 0.337 0.000 0.746 85 N CB 0.221 38.949 38.487 0.402 0.000 1.213 85 N HN 0.227 nan 8.380 nan 0.000 0.524 86 A N 0.384 123.370 122.820 0.277 0.000 2.939 86 A HA 0.386 4.721 4.320 0.025 0.000 0.207 86 A C 1.748 179.437 177.584 0.176 0.000 1.881 86 A CA 0.500 52.656 52.037 0.199 0.000 1.796 86 A CB -0.770 18.318 19.000 0.147 0.000 1.411 86 A HN 0.375 nan 8.150 nan 0.000 0.422 87 c N -0.081 118.631 118.600 0.186 0.000 2.413 87 c HA -0.004 4.582 4.570 0.025 0.000 0.277 87 c C 2.398 176.563 174.090 0.126 0.000 1.265 87 c CA 0.804 57.292 56.329 0.265 0.000 1.752 87 c CB -1.748 40.892 42.510 0.218 0.000 1.998 87 c HN 0.339 nan 8.230 nan 0.000 0.489 88 V N 3.106 123.021 119.914 0.002 0.000 2.261 88 V HA -0.142 3.993 4.120 0.025 0.000 0.246 88 V C 0.488 176.393 176.094 -0.315 0.000 1.047 88 V CA 2.721 64.964 62.300 -0.094 0.000 1.015 88 V CB -1.875 29.951 31.823 0.004 0.000 0.642 88 V HN 0.387 nan 8.190 nan 0.000 0.446 89 P HA -0.207 nan 4.420 nan 0.000 0.218 89 P C 1.503 178.007 177.300 -1.326 0.000 1.149 89 P CA 2.006 64.235 63.100 -1.452 0.000 0.817 89 P CB -0.219 30.262 31.700 -2.031 0.000 0.785 90 H N 0.708 119.376 119.070 -0.671 0.000 2.319 90 H HA -0.188 4.383 4.556 0.025 0.000 0.299 90 H C 2.006 177.023 175.328 -0.518 0.000 1.092 90 H CA 1.820 57.581 56.048 -0.477 0.000 1.302 90 H CB -1.349 28.405 29.762 -0.013 0.000 1.373 90 H HN 0.236 nan 8.280 nan 0.000 0.497 91 H N -0.825 117.815 119.070 -0.717 0.000 2.428 91 H HA -0.068 4.503 4.556 0.025 0.000 0.296 91 H C 2.289 177.318 175.328 -0.499 0.000 1.062 91 H CA 1.072 56.732 56.048 -0.647 0.000 1.350 91 H CB 0.093 29.595 29.762 -0.433 0.000 1.403 91 H HN 0.355 nan 8.280 nan 0.000 0.533 92 L N 0.551 121.499 121.223 -0.458 0.000 2.056 92 L HA -0.114 4.241 4.340 0.025 0.000 0.207 92 L C 2.022 178.661 176.870 -0.385 0.000 1.078 92 L CA 1.402 56.003 54.840 -0.398 0.000 0.749 92 L CB -0.873 40.910 42.059 -0.460 0.000 0.901 92 L HN 0.094 nan 8.230 nan 0.000 0.433 93 F N -0.449 119.120 119.950 -0.635 0.000 2.146 93 F HA -0.211 4.332 4.527 0.025 0.000 0.298 93 F C 2.694 178.139 175.800 -0.590 0.000 1.096 93 F CA 0.753 58.163 58.000 -0.983 0.000 1.275 93 F CB -0.656 37.491 39.000 -1.422 0.000 1.008 93 F HN 0.308 nan 8.300 nan 0.000 0.480 94 S N -0.396 115.094 115.700 -0.351 0.000 2.402 94 S HA -0.193 4.292 4.470 0.025 0.000 0.229 94 S C 1.458 175.928 174.600 -0.217 0.000 1.021 94 S CA 1.444 59.432 58.200 -0.353 0.000 0.974 94 S CB -0.532 62.146 63.200 -0.870 0.000 0.800 94 S HN 0.227 nan 8.310 nan 0.000 0.484 95 D N 1.205 121.479 120.400 -0.210 0.000 2.117 95 D HA -0.023 4.633 4.640 0.025 0.000 0.197 95 D C 1.992 178.282 176.300 -0.015 0.000 0.987 95 D CA 1.093 55.038 54.000 -0.092 0.000 0.829 95 D CB -0.679 40.068 40.800 -0.087 0.000 0.961 95 D HN 0.466 nan 8.370 nan 0.000 0.460 96 C N 0.525 119.830 119.300 0.009 0.000 2.429 96 C HA -0.004 4.471 4.460 0.025 0.000 0.277 96 C C 2.836 177.927 174.990 0.169 0.000 1.262 96 C CA 0.708 59.798 59.018 0.121 0.000 1.733 96 C CB -1.055 26.822 27.740 0.228 0.000 2.010 96 C HN 0.366 nan 8.230 nan 0.000 0.483 97 A N 0.618 123.545 122.820 0.178 0.000 1.902 97 A HA 0.023 4.359 4.320 0.025 0.000 0.217 97 A C 2.359 180.055 177.584 0.186 0.000 1.181 97 A CA 2.184 54.328 52.037 0.179 0.000 0.623 97 A CB -0.887 18.152 19.000 0.065 0.000 0.818 97 A HN 0.576 nan 8.150 nan 0.000 0.443 98 A N -0.611 122.289 122.820 0.133 0.000 1.898 98 A HA -0.109 4.226 4.320 0.025 0.000 0.216 98 A C 1.952 179.581 177.584 0.075 0.000 1.181 98 A CA 1.589 53.707 52.037 0.134 0.000 0.620 98 A CB -0.386 18.678 19.000 0.107 0.000 0.819 98 A HN 0.445 nan 8.150 nan 0.000 0.442 99 E N 0.013 120.249 120.200 0.061 0.000 2.106 99 E HA -0.096 4.269 4.350 0.025 0.000 0.192 99 E C 2.025 178.683 176.600 0.097 0.000 0.984 99 E CA 0.747 57.192 56.400 0.075 0.000 0.806 99 E CB -0.360 29.390 29.700 0.083 0.000 0.750 99 E HN 0.661 nan 8.360 nan 0.000 0.458 100 L N 0.330 121.611 121.223 0.098 0.000 2.093 100 L HA -0.076 4.279 4.340 0.025 0.000 0.208 100 L C 2.683 179.572 176.870 0.033 0.000 1.085 100 L CA 0.822 55.706 54.840 0.074 0.000 0.755 100 L CB -0.277 41.828 42.059 0.076 0.000 0.904 100 L HN 0.151 nan 8.230 nan 0.000 0.435 101 M N -0.508 119.122 119.600 0.049 0.000 2.159 101 M HA -0.238 4.258 4.480 0.025 0.000 0.263 101 M C 2.207 178.509 176.300 0.004 0.000 1.063 101 M CA 1.699 56.982 55.300 -0.027 0.000 1.110 101 M CB 0.027 32.587 32.600 -0.067 0.000 1.374 101 M HN 0.230 nan 8.290 nan 0.000 0.411 102 L N 0.869 122.130 121.223 0.062 0.000 2.017 102 L HA -0.056 4.299 4.340 0.025 0.000 0.208 102 L C 2.509 179.232 176.870 -0.246 0.000 1.073 102 L CA 2.284 57.129 54.840 0.008 0.000 0.745 102 L CB -1.038 41.016 42.059 -0.008 0.000 0.894 102 L HN 0.340 nan 8.230 nan 0.000 0.432 103 A N -0.474 122.241 122.820 -0.176 0.000 1.902 103 A HA -0.222 4.114 4.320 0.025 0.000 0.217 103 A C 2.421 179.881 177.584 -0.208 0.000 1.181 103 A CA 1.880 53.788 52.037 -0.214 0.000 0.623 103 A CB -0.561 18.498 19.000 0.098 0.000 0.818 103 A HN 0.520 nan 8.150 nan 0.000 0.443 104 R N -1.141 119.275 120.500 -0.140 0.000 2.115 104 R HA -0.050 4.305 4.340 0.025 0.000 0.226 104 R C 2.163 178.334 176.300 -0.215 0.000 1.100 104 R CA 1.603 57.620 56.100 -0.138 0.000 0.980 104 R CB -0.555 29.679 30.300 -0.110 0.000 0.875 104 R HN 0.517 nan 8.270 nan 0.000 0.445 105 T N 0.294 114.672 114.554 -0.293 0.000 2.821 105 T HA -0.071 4.294 4.350 0.025 0.000 0.267 105 T C 0.787 175.051 174.700 -0.727 0.000 1.046 105 T CA 1.169 62.979 62.100 -0.484 0.000 1.139 105 T CB -0.056 68.514 68.868 -0.496 0.000 0.871 105 T HN 0.123 nan 8.240 nan 0.000 0.454 106 F N 1.489 121.231 119.950 -0.347 0.000 2.837 106 F HA 0.410 4.952 4.527 0.025 0.000 0.298 106 F C 1.019 176.658 175.800 -0.270 0.000 1.161 106 F CA -0.708 57.083 58.000 -0.349 0.000 1.353 106 F CB 0.123 38.796 39.000 -0.546 0.000 0.951 106 F HN -0.065 nan 8.300 nan 0.000 0.508 107 S N 0.659 116.290 115.700 -0.114 0.000 2.563 107 S HA 0.297 4.782 4.470 0.025 0.000 0.294 107 S C 1.395 175.997 174.600 0.003 0.000 1.279 107 S CA 1.002 59.183 58.200 -0.030 0.000 1.069 107 S CB 0.182 63.350 63.200 -0.053 0.000 0.828 107 S HN 0.951 nan 8.310 nan 0.000 0.497 108 G N 3.462 112.288 108.800 0.043 0.000 2.168 108 G HA2 -0.240 3.736 3.960 0.025 0.000 0.263 108 G HA3 -0.240 3.736 3.960 0.025 0.000 0.263 108 G C -0.060 174.824 174.900 -0.027 0.000 0.977 108 G CA 0.633 45.742 45.100 0.014 0.000 0.659 108 G HN 0.766 nan 8.290 nan 0.000 0.533 109 Q N -1.298 118.493 119.800 -0.015 0.000 2.306 109 Q HA 0.627 4.982 4.340 0.025 0.000 0.265 109 Q C 0.895 176.800 176.000 -0.158 0.000 1.022 109 Q CA -0.853 54.809 55.803 -0.235 0.000 0.853 109 Q CB 1.428 29.995 28.738 -0.285 0.000 1.327 109 Q HN 0.445 nan 8.270 nan 0.000 0.449 110 Y N -1.241 119.065 120.300 0.011 0.000 2.850 110 Y HA -0.437 4.129 4.550 0.025 0.000 0.469 110 Y C 1.022 176.913 175.900 -0.016 0.000 1.165 110 Y CA 1.637 59.717 58.100 -0.034 0.000 2.638 110 Y CB -1.226 37.090 38.460 -0.240 0.000 1.196 110 Y HN 0.897 nan 8.280 nan 0.000 0.625 111 W N -0.343 120.985 121.300 0.047 0.000 3.290 111 W HA 0.500 5.175 4.660 0.025 0.000 0.287 111 W C -0.437 175.984 176.519 -0.162 0.000 1.288 111 W CA -0.855 56.415 57.345 -0.125 0.000 1.725 111 W CB -0.532 28.781 29.460 -0.244 0.000 1.103 111 W HN 0.051 nan 8.180 nan 0.000 0.670 112 F N 5.018 124.793 119.950 -0.291 0.000 2.456 112 F HA 0.314 4.856 4.527 0.025 0.000 0.358 112 F C -1.126 174.655 175.800 -0.032 0.000 1.095 112 F CA -2.645 55.254 58.000 -0.168 0.000 1.216 112 F CB 0.056 38.934 39.000 -0.204 0.000 1.125 112 F HN -0.253 nan 8.300 nan 0.000 0.549 113 P HA 0.006 nan 4.420 nan 0.000 0.276 113 P C -0.769 176.588 177.300 0.095 0.000 1.261 113 P CA -0.444 62.726 63.100 0.118 0.000 0.800 113 P CB 0.846 32.609 31.700 0.105 0.000 1.066 114 D N 1.412 121.845 120.400 0.056 0.000 2.358 114 D HA 0.051 4.707 4.640 0.025 0.000 0.258 114 D C 0.799 177.113 176.300 0.024 0.000 1.223 114 D CA 0.131 54.149 54.000 0.030 0.000 0.886 114 D CB 0.266 41.076 40.800 0.017 0.000 1.120 114 D HN 0.084 nan 8.370 nan 0.000 0.482 115 M N 2.601 122.207 119.600 0.011 0.000 2.371 115 M HA -0.009 4.487 4.480 0.025 0.000 0.246 115 M C 1.710 178.001 176.300 -0.015 0.000 1.103 115 M CA 0.117 55.417 55.300 0.000 0.000 1.010 115 M CB -0.615 31.979 32.600 -0.009 0.000 1.457 115 M HN 0.304 nan 8.290 nan 0.000 0.486 116 T N 1.958 116.502 114.554 -0.018 0.000 2.594 116 T HA -0.215 4.150 4.350 0.025 0.000 0.266 116 T C 1.030 175.718 174.700 -0.020 0.000 1.070 116 T CA 1.754 63.840 62.100 -0.023 0.000 1.166 116 T CB -0.161 68.695 68.868 -0.019 0.000 0.862 116 T HN 0.504 nan 8.240 nan 0.000 0.436 117 E N 0.387 120.578 120.200 -0.014 0.000 2.736 117 E HA 0.215 4.580 4.350 0.025 0.000 0.208 117 E C -0.303 176.289 176.600 -0.013 0.000 0.996 117 E CA -0.274 56.118 56.400 -0.014 0.000 1.104 117 E CB 0.577 30.271 29.700 -0.010 0.000 1.111 117 E HN 0.080 nan 8.360 nan 0.000 0.455 118 K N 1.342 121.734 120.400 -0.013 0.000 2.234 118 K HA 0.249 4.584 4.320 0.025 0.000 0.277 118 K C -1.049 175.536 176.600 -0.024 0.000 1.038 118 K CA -0.517 55.763 56.287 -0.012 0.000 0.888 118 K CB 1.003 33.503 32.500 -0.000 0.000 1.091 118 K HN -0.138 nan 8.250 nan 0.000 0.467 119 V N 5.778 125.674 119.914 -0.029 0.000 2.357 119 V HA 0.309 4.444 4.120 0.025 0.000 0.284 119 V C -0.377 175.686 176.094 -0.052 0.000 1.018 119 V CA -1.064 61.206 62.300 -0.049 0.000 0.841 119 V CB 1.552 33.343 31.823 -0.053 0.000 0.991 119 V HN 0.573 nan 8.190 nan 0.000 0.437 120 V N 3.830 123.704 119.914 -0.067 0.000 2.686 120 V HA 0.372 4.507 4.120 0.025 0.000 0.295 120 V C 1.179 177.221 176.094 -0.086 0.000 1.055 120 V CA -0.046 62.220 62.300 -0.057 0.000 1.050 120 V CB 1.362 33.155 31.823 -0.051 0.000 0.984 120 V HN 0.961 nan 8.190 nan 0.000 0.482 121 G N 3.502 112.270 108.800 -0.054 0.000 2.360 121 G HA2 0.359 4.334 3.960 0.025 0.000 0.279 121 G HA3 0.359 4.334 3.960 0.025 0.000 0.279 121 G C 0.779 175.638 174.900 -0.069 0.000 1.189 121 G CA -0.363 44.694 45.100 -0.071 0.000 0.941 121 G HN 0.739 nan 8.290 nan 0.000 0.445 122 I N 1.751 122.232 120.570 -0.149 0.000 2.252 122 I HA -0.158 4.027 4.170 0.025 0.000 0.245 122 I C 2.738 178.811 176.117 -0.075 0.000 1.102 122 I CA 1.153 62.381 61.300 -0.120 0.000 1.385 122 I CB -0.029 37.785 38.000 -0.309 0.000 1.064 122 I HN 0.563 nan 8.210 nan 0.000 0.414 123 K N 1.185 121.500 120.400 -0.141 0.000 2.097 123 K HA -0.209 4.126 4.320 0.025 0.000 0.206 123 K C 1.948 178.543 176.600 -0.008 0.000 1.049 123 K CA 1.431 57.662 56.287 -0.094 0.000 0.933 123 K CB 0.021 32.451 32.500 -0.117 0.000 0.717 123 K HN 0.314 nan 8.250 nan 0.000 0.442 124 E N -0.062 120.140 120.200 0.002 0.000 2.077 124 E HA -0.167 4.198 4.350 0.025 0.000 0.193 124 E C 1.928 178.573 176.600 0.075 0.000 0.989 124 E CA 1.425 57.845 56.400 0.034 0.000 0.800 124 E CB 0.117 29.833 29.700 0.028 0.000 0.746 124 E HN 0.144 nan 8.360 nan 0.000 0.452 125 V N 0.676 120.656 119.914 0.110 0.000 2.379 125 V HA -0.182 3.953 4.120 0.025 0.000 0.245 125 V C 2.326 178.560 176.094 0.233 0.000 1.044 125 V CA 1.044 63.448 62.300 0.173 0.000 1.036 125 V CB -0.190 31.779 31.823 0.243 0.000 0.664 125 V HN 0.111 nan 8.190 nan 0.000 0.453 126 V N 0.238 120.270 119.914 0.196 0.000 2.427 126 V HA -0.230 3.905 4.120 0.025 0.000 0.248 126 V C 2.240 178.475 176.094 0.235 0.000 1.051 126 V CA 2.045 64.512 62.300 0.278 0.000 1.048 126 V CB -0.644 31.273 31.823 0.158 0.000 0.666 126 V HN 0.540 nan 8.190 nan 0.000 0.456 127 D N -0.186 120.292 120.400 0.131 0.000 2.178 127 D HA -0.118 4.538 4.640 0.025 0.000 0.202 127 D C 1.928 178.266 176.300 0.063 0.000 0.974 127 D CA 0.926 54.974 54.000 0.081 0.000 0.841 127 D CB -0.187 40.642 40.800 0.050 0.000 0.953 127 D HN 0.378 nan 8.370 nan 0.000 0.478 128 L N -0.072 121.205 121.223 0.089 0.000 2.046 128 L HA -0.084 4.271 4.340 0.025 0.000 0.208 128 L C 2.059 178.956 176.870 0.046 0.000 1.077 128 L CA 1.445 56.320 54.840 0.059 0.000 0.747 128 L CB -0.792 41.313 42.059 0.077 0.000 0.896 128 L HN 0.009 nan 8.230 nan 0.000 0.432 129 F N 0.346 120.283 119.950 -0.021 0.000 2.102 129 F HA -0.207 4.335 4.527 0.025 0.000 0.298 129 F C 2.528 178.271 175.800 -0.096 0.000 1.105 129 F CA 1.626 59.575 58.000 -0.086 0.000 1.239 129 F CB -0.171 38.772 39.000 -0.095 0.000 0.991 129 F HN -0.018 nan 8.300 nan 0.000 0.474 130 R N 0.304 120.655 120.500 -0.249 0.000 2.105 130 R HA -0.140 4.215 4.340 0.025 0.000 0.239 130 R C 2.386 178.512 176.300 -0.289 0.000 1.135 130 R CA 1.209 57.111 56.100 -0.331 0.000 0.967 130 R CB -0.760 29.496 30.300 -0.072 0.000 0.861 130 R HN 0.420 nan 8.270 nan 0.000 0.442 131 A N 0.037 122.749 122.820 -0.180 0.000 2.014 131 A HA -0.004 4.331 4.320 0.025 0.000 0.218 131 A C 1.971 179.450 177.584 -0.174 0.000 1.163 131 A CA 1.531 53.488 52.037 -0.133 0.000 0.652 131 A CB -0.196 18.762 19.000 -0.069 0.000 0.808 131 A HN 0.456 nan 8.150 nan 0.000 0.449 132 G N -0.611 108.039 108.800 -0.250 0.000 3.228 132 G HA2 0.137 4.112 3.960 0.025 0.000 0.245 132 G HA3 0.137 4.112 3.960 0.025 0.000 0.245 132 G C 1.291 175.973 174.900 -0.364 0.000 1.051 132 G CA 0.403 45.358 45.100 -0.242 0.000 0.809 132 G HN 0.634 nan 8.290 nan 0.000 0.531 133 R N 0.370 120.509 120.500 -0.602 0.000 2.237 133 R HA 0.065 4.420 4.340 0.025 0.000 0.219 133 R C 1.297 177.133 176.300 -0.773 0.000 1.080 133 R CA 0.966 56.598 56.100 -0.780 0.000 0.995 133 R CB -0.321 29.264 30.300 -1.193 0.000 0.875 133 R HN 0.053 nan 8.270 nan 0.000 0.462 134 N N 0.937 119.364 118.700 -0.456 0.000 2.512 134 N HA -0.045 4.710 4.740 0.025 0.000 0.183 134 N C 1.661 177.066 175.510 -0.175 0.000 1.073 134 N CA 1.117 54.010 53.050 -0.261 0.000 0.911 134 N CB 0.054 38.507 38.487 -0.057 0.000 0.964 134 N HN 0.499 nan 8.380 nan 0.000 0.447 135 G N 2.267 110.943 108.800 -0.206 0.000 2.453 135 G HA2 -0.156 3.819 3.960 0.025 0.000 0.215 135 G HA3 -0.156 3.819 3.960 0.025 0.000 0.215 135 G C -0.711 174.118 174.900 -0.117 0.000 1.201 135 G CA 0.492 45.519 45.100 -0.121 0.000 0.784 135 G HN 0.305 nan 8.290 nan 0.000 0.545 136 P HA -0.087 nan 4.420 nan 0.000 0.216 136 P C 1.417 178.680 177.300 -0.062 0.000 1.150 136 P CA 1.099 64.115 63.100 -0.140 0.000 0.837 136 P CB -0.049 31.534 31.700 -0.196 0.000 0.786 137 H N -0.977 117.989 119.070 -0.172 0.000 2.353 137 H HA -0.028 4.545 4.556 0.028 0.000 0.300 137 H C 2.248 177.537 175.328 -0.066 0.000 1.090 137 H CA 1.735 57.673 56.048 -0.184 0.000 1.327 137 H CB -1.302 28.268 29.762 -0.321 0.000 1.383 137 H HN 0.120 nan 8.280 nan 0.000 0.508 138 G N 0.651 109.526 108.800 0.125 0.000 2.418 138 G HA2 -0.179 3.796 3.960 0.025 0.000 0.217 138 G HA3 -0.179 3.796 3.960 0.025 0.000 0.217 138 G C 1.883 176.858 174.900 0.125 0.000 1.158 138 G CA 0.843 46.050 45.100 0.177 0.000 0.771 138 G HN 0.358 nan 8.290 nan 0.000 0.545 139 I N 0.469 121.087 120.570 0.079 0.000 2.286 139 I HA -0.156 4.029 4.170 0.025 0.000 0.248 139 I C 2.826 179.000 176.117 0.096 0.000 1.115 139 I CA 0.741 62.100 61.300 0.098 0.000 1.392 139 I CB -0.209 37.821 38.000 0.049 0.000 1.065 139 I HN 0.105 nan 8.210 nan 0.000 0.418 140 M N 0.255 119.869 119.600 0.024 0.000 2.132 140 M HA -0.178 4.317 4.480 0.025 0.000 0.263 140 M C 1.973 178.173 176.300 -0.167 0.000 1.065 140 M CA 1.759 57.038 55.300 -0.035 0.000 1.122 140 M CB -1.564 31.032 32.600 -0.007 0.000 1.365 140 M HN 0.336 nan 8.290 nan 0.000 0.411 141 N N -0.579 117.930 118.700 -0.317 0.000 2.142 141 N HA -0.163 4.593 4.740 0.025 0.000 0.186 141 N C 1.719 176.934 175.510 -0.492 0.000 1.023 141 N CA 1.002 53.637 53.050 -0.690 0.000 0.852 141 N CB -0.133 37.520 38.487 -1.389 0.000 0.998 141 N HN 0.189 nan 8.380 nan 0.000 0.424 142 F N 2.275 121.996 119.950 -0.382 0.000 2.084 142 F HA -0.155 4.387 4.527 0.026 0.000 0.296 142 F C 2.741 178.562 175.800 0.035 0.000 1.111 142 F CA 1.358 59.366 58.000 0.013 0.000 1.224 142 F CB -0.419 38.697 39.000 0.193 0.000 0.991 142 F HN -0.035 nan 8.300 nan 0.000 0.471 143 Q N 0.086 119.958 119.800 0.119 0.000 2.061 143 Q HA -0.201 4.155 4.340 0.025 0.000 0.204 143 Q C 2.246 178.166 176.000 -0.132 0.000 0.984 143 Q CA 2.298 58.098 55.803 -0.005 0.000 0.846 143 Q CB -0.252 28.532 28.738 0.078 0.000 0.902 143 Q HN 0.481 nan 8.270 nan 0.000 0.421 144 S N 0.527 116.165 115.700 -0.104 0.000 2.368 144 S HA -0.161 4.325 4.470 0.025 0.000 0.225 144 S C 1.762 176.354 174.600 -0.012 0.000 1.030 144 S CA 1.532 59.691 58.200 -0.068 0.000 0.999 144 S CB -0.170 62.986 63.200 -0.075 0.000 0.844 144 S HN 0.348 nan 8.310 nan 0.000 0.459 145 K N 0.767 121.169 120.400 0.003 0.000 2.044 145 K HA -0.007 4.328 4.320 0.025 0.000 0.204 145 K C 1.792 178.302 176.600 -0.150 0.000 1.045 145 K CA 0.971 57.220 56.287 -0.063 0.000 0.951 145 K CB 0.035 32.533 32.500 -0.004 0.000 0.738 145 K HN 0.089 nan 8.250 nan 0.000 0.443 146 E N 0.483 120.504 120.200 -0.299 0.000 2.170 146 E HA -0.100 4.265 4.350 0.025 0.000 0.191 146 E C 1.894 178.332 176.600 -0.270 0.000 0.981 146 E CA 1.050 57.246 56.400 -0.340 0.000 0.830 146 E CB 0.236 29.516 29.700 -0.701 0.000 0.775 146 E HN 0.459 nan 8.360 nan 0.000 0.470 147 Q N -0.370 119.266 119.800 -0.274 0.000 2.390 147 Q HA 0.224 4.580 4.340 0.025 0.000 0.216 147 Q C 1.992 177.923 176.000 -0.116 0.000 0.916 147 Q CA 0.192 55.907 55.803 -0.147 0.000 0.911 147 Q CB 0.592 29.276 28.738 -0.091 0.000 1.035 147 Q HN 0.159 nan 8.270 nan 0.000 0.541 148 L N 0.686 121.832 121.223 -0.128 0.000 2.607 148 L HA 0.146 4.501 4.340 0.025 0.000 0.228 148 L C -0.281 176.525 176.870 -0.107 0.000 1.123 148 L CA -0.172 54.595 54.840 -0.122 0.000 0.890 148 L CB 0.086 42.058 42.059 -0.145 0.000 1.103 148 L HN 0.199 nan 8.230 nan 0.000 0.468 149 N N 1.105 119.743 118.700 -0.104 0.000 2.727 149 N HA -0.172 4.583 4.740 0.025 0.000 0.249 149 N C -0.337 175.119 175.510 -0.091 0.000 1.048 149 N CA 0.772 53.766 53.050 -0.093 0.000 0.714 149 N CB -1.620 36.821 38.487 -0.077 0.000 0.959 149 N HN 0.336 nan 8.380 nan 0.000 0.544 150 L N 0.402 121.572 121.223 -0.089 0.000 2.399 150 L HA 0.307 4.662 4.340 0.025 0.000 0.266 150 L C 0.966 177.750 176.870 -0.143 0.000 1.114 150 L CA -0.346 54.452 54.840 -0.070 0.000 0.804 150 L CB 0.897 42.949 42.059 -0.011 0.000 1.146 150 L HN 0.011 nan 8.230 nan 0.000 0.451 151 E N 1.532 121.660 120.200 -0.120 0.000 2.191 151 E HA 0.497 4.862 4.350 0.025 0.000 0.278 151 E C -1.676 174.825 176.600 -0.166 0.000 0.972 151 E CA -0.468 55.798 56.400 -0.224 0.000 0.804 151 E CB 1.798 31.440 29.700 -0.096 0.000 1.110 151 E HN 0.393 nan 8.360 nan 0.000 0.394 152 Y N -0.448 119.700 120.300 -0.252 0.000 2.624 152 Y HA 0.586 5.147 4.550 0.019 0.000 0.334 152 Y C -1.445 174.283 175.900 -0.287 0.000 1.155 152 Y CA -1.311 56.630 58.100 -0.265 0.000 1.046 152 Y CB 0.864 39.192 38.460 -0.220 0.000 1.316 152 Y HN 0.323 nan 8.280 nan 0.000 0.457 153 I N 4.024 124.601 120.570 0.011 0.000 2.439 153 I HA 0.461 4.646 4.170 0.025 0.000 0.285 153 I C -0.991 175.150 176.117 0.040 0.000 1.021 153 I CA -0.565 60.736 61.300 0.001 0.000 1.091 153 I CB 1.507 39.467 38.000 -0.066 0.000 1.242 153 I HN 0.535 nan 8.210 nan 0.000 0.439 154 L N 5.110 126.385 121.223 0.087 0.000 2.313 154 L HA 0.535 4.891 4.340 0.025 0.000 0.268 154 L C 0.619 177.525 176.870 0.060 0.000 1.010 154 L CA -0.879 53.969 54.840 0.015 0.000 0.814 154 L CB 1.108 43.141 42.059 -0.043 0.000 1.304 154 L HN 0.643 nan 8.230 nan 0.000 0.441 155 N N -0.000 118.708 118.700 0.014 0.000 2.754 155 N HA -0.201 4.555 4.740 0.025 0.000 0.248 155 N C -1.108 174.431 175.510 0.048 0.000 1.093 155 N CA 0.556 53.634 53.050 0.047 0.000 0.699 155 N CB -0.799 37.758 38.487 0.116 0.000 1.016 155 N HN 0.701 nan 8.380 nan 0.000 0.552 156 C N 0.335 119.644 119.300 0.015 0.000 2.716 156 C HA 0.578 5.053 4.460 0.025 0.000 0.366 156 C C -2.559 172.422 174.990 -0.014 0.000 1.073 156 C CA -1.342 57.691 59.018 0.024 0.000 1.260 156 C CB 1.053 28.834 27.740 0.067 0.000 1.755 156 C HN 0.292 nan 8.230 nan 0.000 0.475 157 P HA 0.316 nan 4.420 nan 0.000 0.271 157 P C -0.684 176.605 177.300 -0.019 0.000 1.216 157 P CA 0.265 63.338 63.100 -0.045 0.000 0.776 157 P CB 0.664 32.338 31.700 -0.043 0.000 0.881 158 A N 3.535 126.337 122.820 -0.030 0.000 2.354 158 A HA 0.325 4.660 4.320 0.025 0.000 0.269 158 A C -0.019 177.564 177.584 -0.001 0.000 1.109 158 A CA -0.244 51.787 52.037 -0.010 0.000 0.800 158 A CB 0.076 19.061 19.000 -0.025 0.000 1.045 158 A HN 0.442 nan 8.150 nan 0.000 0.489 159 K N 2.587 122.999 120.400 0.021 0.000 2.530 159 K HA 0.372 4.707 4.320 0.025 0.000 0.230 159 K C -1.099 175.517 176.600 0.027 0.000 1.002 159 K CA -0.453 55.846 56.287 0.020 0.000 1.014 159 K CB 1.529 34.046 32.500 0.029 0.000 1.286 159 K HN 0.473 nan 8.250 nan 0.000 0.480 160 V N 4.689 124.611 119.914 0.013 0.000 2.529 160 V HA 0.001 4.137 4.120 0.025 0.000 0.292 160 V C 1.503 177.607 176.094 0.018 0.000 1.028 160 V CA 0.514 62.822 62.300 0.013 0.000 1.074 160 V CB 0.400 32.221 31.823 -0.003 0.000 0.958 160 V HN 0.698 nan 8.190 nan 0.000 0.481 161 I N 2.703 123.290 120.570 0.028 0.000 2.685 161 I HA 0.142 4.327 4.170 0.025 0.000 0.251 161 I C 0.632 176.764 176.117 0.025 0.000 1.102 161 I CA 0.706 62.024 61.300 0.029 0.000 1.442 161 I CB 0.297 38.323 38.000 0.042 0.000 1.194 161 I HN 0.898 nan 8.210 nan 0.000 0.448 162 D N -1.764 118.652 120.400 0.028 0.000 2.838 162 D HA 0.001 4.656 4.640 0.025 0.000 0.334 162 D C -0.106 176.187 176.300 -0.012 0.000 1.315 162 D CA -0.677 53.334 54.000 0.019 0.000 0.917 162 D CB -0.281 40.547 40.800 0.046 0.000 1.435 162 D HN 0.119 nan 8.370 nan 0.000 0.517 163 N N -1.626 117.040 118.700 -0.056 0.000 2.609 163 N HA -0.100 4.655 4.740 0.025 0.000 0.190 163 N C 0.070 175.334 175.510 -0.411 0.000 1.157 163 N CA 0.566 53.490 53.050 -0.210 0.000 0.918 163 N CB -0.268 38.062 38.487 -0.261 0.000 0.978 163 N HN 0.372 nan 8.380 nan 0.000 0.448 164 H N -1.737 117.352 119.070 0.031 0.000 3.367 164 H HA 0.237 4.807 4.556 0.023 0.000 0.257 164 H C -0.810 174.553 175.328 0.058 0.000 1.201 164 H CA -0.241 55.834 56.048 0.044 0.000 1.102 164 H CB 1.253 31.042 29.762 0.044 0.000 1.656 164 H HN 0.103 nan 8.280 nan 0.000 0.662 165 T N 1.081 115.713 114.554 0.131 0.000 2.921 165 T HA 0.568 4.933 4.350 0.025 0.000 0.297 165 T C -0.856 173.899 174.700 0.093 0.000 1.013 165 T CA -0.685 61.487 62.100 0.120 0.000 0.990 165 T CB 2.435 71.365 68.868 0.102 0.000 1.023 165 T HN -0.130 nan 8.240 nan 0.000 0.447 166 V N 2.025 122.015 119.914 0.126 0.000 2.760 166 V HA 0.507 4.642 4.120 0.025 0.000 0.309 166 V C -0.309 175.898 176.094 0.188 0.000 1.077 166 V CA -0.941 61.429 62.300 0.117 0.000 0.910 166 V CB 2.148 34.016 31.823 0.074 0.000 1.008 166 V HN 0.918 nan 8.190 nan 0.000 0.424 167 E N 2.562 122.846 120.200 0.139 0.000 2.216 167 E HA 0.764 5.129 4.350 0.025 0.000 0.279 167 E C -0.726 175.982 176.600 0.180 0.000 0.997 167 E CA -0.426 56.068 56.400 0.157 0.000 0.817 167 E CB 1.760 31.512 29.700 0.087 0.000 1.096 167 E HN 0.960 nan 8.360 nan 0.000 0.393 168 A N 2.745 125.729 122.820 0.273 0.000 2.513 168 A HA 0.578 4.913 4.320 0.025 0.000 0.296 168 A C -0.093 177.679 177.584 0.312 0.000 1.052 168 A CA 0.077 52.261 52.037 0.245 0.000 0.714 168 A CB 1.172 20.280 19.000 0.181 0.000 1.279 168 A HN 1.179 nan 8.150 nan 0.000 0.397 169 A N 0.890 123.837 122.820 0.212 0.000 2.832 169 A HA 0.285 4.620 4.320 0.025 0.000 0.280 169 A C 2.113 179.770 177.584 0.122 0.000 1.464 169 A CA 2.125 54.278 52.037 0.192 0.000 0.804 169 A CB -1.784 17.407 19.000 0.318 0.000 1.020 169 A HN 3.196 nan 8.150 nan 0.000 0.563 170 G N -2.281 106.579 108.800 0.099 0.000 2.162 170 G HA2 -0.283 3.692 3.960 0.025 0.000 0.260 170 G HA3 -0.283 3.692 3.960 0.025 0.000 0.260 170 G C 0.047 174.960 174.900 0.022 0.000 0.976 170 G CA 1.280 46.408 45.100 0.046 0.000 0.655 170 G HN 1.222 nan 8.290 nan 0.000 0.533 171 K N -0.654 119.780 120.400 0.057 0.000 2.340 171 K HA 0.701 5.036 4.320 0.025 0.000 0.244 171 K C -0.507 176.007 176.600 -0.144 0.000 0.973 171 K CA -0.965 55.268 56.287 -0.089 0.000 0.828 171 K CB 2.933 35.337 32.500 -0.160 0.000 1.226 171 K HN 0.019 nan 8.250 nan 0.000 0.437 172 V N 2.845 122.582 119.914 -0.295 0.000 2.398 172 V HA 0.432 4.568 4.120 0.025 0.000 0.286 172 V C -0.989 174.888 176.094 -0.363 0.000 1.026 172 V CA -0.682 61.511 62.300 -0.178 0.000 0.868 172 V CB 0.429 32.207 31.823 -0.074 0.000 0.982 172 V HN 0.523 nan 8.190 nan 0.000 0.443 173 F N 3.590 123.583 119.950 0.070 0.000 2.508 173 F HA 0.646 5.170 4.527 -0.005 0.000 0.325 173 F C 0.400 176.258 175.800 0.097 0.000 1.090 173 F CA -0.847 57.210 58.000 0.095 0.000 0.945 173 F CB 1.765 40.780 39.000 0.026 0.000 1.156 173 F HN 0.202 nan 8.300 nan 0.000 0.463 174 K N 1.756 122.348 120.400 0.320 0.000 2.156 174 K HA 0.919 5.254 4.320 0.025 0.000 0.250 174 K C -0.900 175.880 176.600 0.299 0.000 0.955 174 K CA -0.798 55.636 56.287 0.244 0.000 0.855 174 K CB 2.162 34.763 32.500 0.167 0.000 1.101 174 K HN 0.768 nan 8.250 nan 0.000 0.434 175 A N 1.370 124.341 122.820 0.252 0.000 2.604 175 A HA 0.350 4.685 4.320 0.025 0.000 0.295 175 A C 0.136 177.888 177.584 0.280 0.000 1.067 175 A CA -0.627 51.561 52.037 0.251 0.000 0.683 175 A CB 1.140 20.245 19.000 0.174 0.000 1.281 175 A HN 0.627 nan 8.150 nan 0.000 0.407 176 K N 0.335 120.872 120.400 0.229 0.000 2.211 176 K HA 0.013 4.348 4.320 0.025 0.000 0.203 176 K C 0.148 176.914 176.600 0.277 0.000 1.050 176 K CA 1.125 57.562 56.287 0.250 0.000 0.945 176 K CB -0.001 32.586 32.500 0.145 0.000 0.732 176 K HN 0.641 nan 8.250 nan 0.000 0.451 177 N N -0.206 118.580 118.700 0.144 0.000 2.610 177 N HA 0.329 5.084 4.740 0.025 0.000 0.264 177 N C -1.375 174.115 175.510 -0.033 0.000 1.348 177 N CA -0.594 52.490 53.050 0.057 0.000 0.819 177 N CB 2.051 40.595 38.487 0.095 0.000 1.521 177 N HN -0.145 nan 8.380 nan 0.000 0.497 178 L N 1.441 122.632 121.223 -0.054 0.000 2.362 178 L HA 0.623 4.978 4.340 0.025 0.000 0.271 178 L C -0.552 176.252 176.870 -0.110 0.000 1.002 178 L CA -0.742 54.034 54.840 -0.108 0.000 0.818 178 L CB 2.049 44.055 42.059 -0.088 0.000 1.298 178 L HN 0.387 nan 8.230 nan 0.000 0.420 179 I N 4.089 124.497 120.570 -0.270 0.000 2.420 179 I HA 0.295 4.480 4.170 0.025 0.000 0.282 179 I C -0.470 175.579 176.117 -0.112 0.000 1.019 179 I CA -0.442 60.704 61.300 -0.257 0.000 1.130 179 I CB 1.663 39.235 38.000 -0.713 0.000 1.262 179 I HN 0.356 nan 8.210 nan 0.000 0.454 180 L N 6.425 127.640 121.223 -0.013 0.000 2.315 180 L HA 0.495 4.850 4.340 0.025 0.000 0.283 180 L C 0.690 177.591 176.870 0.051 0.000 1.089 180 L CA -0.092 54.756 54.840 0.013 0.000 0.833 180 L CB 0.835 42.899 42.059 0.008 0.000 1.170 180 L HN 0.722 nan 8.230 nan 0.000 0.442 181 A N 3.138 125.999 122.820 0.067 0.000 3.045 181 A HA 0.359 4.694 4.320 0.025 0.000 0.244 181 A C 0.676 178.292 177.584 0.054 0.000 0.917 181 A CA -0.280 51.810 52.037 0.087 0.000 1.075 181 A CB 0.248 19.346 19.000 0.164 0.000 1.202 181 A HN 0.584 nan 8.150 nan 0.000 0.486 182 V N -2.852 117.077 119.914 0.023 0.000 3.623 182 V HA 0.492 4.627 4.120 0.025 0.000 0.271 182 V C 1.277 177.372 176.094 0.001 0.000 1.248 182 V CA 0.527 62.825 62.300 -0.005 0.000 1.156 182 V CB -1.500 30.306 31.823 -0.028 0.000 0.870 182 V HN 1.737 nan 8.190 nan 0.000 0.453 183 G N 0.449 109.263 108.800 0.023 0.000 2.564 183 G HA2 0.157 4.133 3.960 0.025 0.000 0.273 183 G HA3 0.157 4.133 3.960 0.025 0.000 0.273 183 G C 0.054 174.967 174.900 0.022 0.000 1.242 183 G CA 0.286 45.404 45.100 0.031 0.000 0.951 183 G HN 1.954 nan 8.290 nan 0.000 0.564 184 A N -1.330 121.513 122.820 0.038 0.000 2.515 184 A HA 1.006 5.341 4.320 0.025 0.000 0.296 184 A C 0.292 177.915 177.584 0.066 0.000 1.094 184 A CA 0.680 52.739 52.037 0.036 0.000 0.718 184 A CB 1.517 20.534 19.000 0.028 0.000 1.307 184 A HN 2.446 nan 8.150 nan 0.000 0.408 185 G N -0.255 108.578 108.800 0.054 0.000 2.489 185 G HA2 0.662 4.637 3.960 0.025 0.000 0.327 185 G HA3 0.662 4.637 3.960 0.025 0.000 0.327 185 G C -3.121 171.833 174.900 0.091 0.000 1.189 185 G CA -1.893 43.250 45.100 0.073 0.000 0.962 185 G HN 0.450 nan 8.290 nan 0.000 0.486 186 P HA 0.151 nan 4.420 nan 0.000 0.264 186 P C 0.608 177.923 177.300 0.025 0.000 1.183 186 P CA 0.260 63.414 63.100 0.090 0.000 0.763 186 P CB 0.750 32.455 31.700 0.008 0.000 0.807 187 G N 1.541 110.348 108.800 0.011 0.000 2.476 187 G HA2 0.470 4.446 3.960 0.025 0.000 0.269 187 G HA3 0.470 4.446 3.960 0.025 0.000 0.269 187 G C -0.547 174.329 174.900 -0.039 0.000 1.195 187 G CA -0.007 45.085 45.100 -0.014 0.000 0.843 187 G HN 0.483 nan 8.290 nan 0.000 0.545 188 T N -0.153 114.378 114.554 -0.039 0.000 2.864 188 T HA 0.626 4.991 4.350 0.025 0.000 0.289 188 T C -0.673 174.000 174.700 -0.045 0.000 1.082 188 T CA -0.651 61.418 62.100 -0.052 0.000 1.009 188 T CB 1.040 69.879 68.868 -0.048 0.000 1.234 188 T HN 0.310 nan 8.240 nan 0.000 0.526 189 L N 2.105 123.298 121.223 -0.050 0.000 2.325 189 L HA 0.475 4.830 4.340 0.025 0.000 0.278 189 L C -0.387 176.462 176.870 -0.036 0.000 1.023 189 L CA -0.804 54.012 54.840 -0.041 0.000 0.811 189 L CB 1.596 43.629 42.059 -0.044 0.000 1.249 189 L HN 0.636 nan 8.230 nan 0.000 0.431 190 D N 3.071 123.454 120.400 -0.028 0.000 2.767 190 D HA 0.328 4.984 4.640 0.025 0.000 0.241 190 D C -0.813 175.473 176.300 -0.024 0.000 1.187 190 D CA -0.100 53.885 54.000 -0.025 0.000 0.999 190 D CB 0.228 41.016 40.800 -0.020 0.000 1.042 190 D HN 0.228 nan 8.370 nan 0.000 0.510 191 V N -0.427 119.471 119.914 -0.028 0.000 3.078 191 V HA 0.753 4.888 4.120 0.025 0.000 0.311 191 V C -2.792 173.285 176.094 -0.028 0.000 1.138 191 V CA -2.439 59.846 62.300 -0.025 0.000 1.007 191 V CB 1.710 33.518 31.823 -0.025 0.000 1.045 191 V HN -0.038 nan 8.190 nan 0.000 0.432 192 P HA 0.409 nan 4.420 nan 0.000 0.268 192 P C 0.922 178.205 177.300 -0.030 0.000 1.204 192 P CA 1.784 64.869 63.100 -0.025 0.000 0.768 192 P CB 0.870 32.558 31.700 -0.020 0.000 0.842 193 G N 1.749 110.529 108.800 -0.033 0.000 2.179 193 G HA2 -0.301 3.675 3.960 0.025 0.000 0.260 193 G HA3 -0.301 3.675 3.960 0.025 0.000 0.260 193 G C 0.938 175.806 174.900 -0.053 0.000 0.977 193 G CA 0.141 45.217 45.100 -0.040 0.000 0.641 193 G HN 0.532 nan 8.290 nan 0.000 0.533 194 V N 0.229 120.111 119.914 -0.054 0.000 2.867 194 V HA -0.015 4.120 4.120 0.025 0.000 0.260 194 V C 1.824 177.867 176.094 -0.085 0.000 1.099 194 V CA 2.747 65.006 62.300 -0.069 0.000 1.122 194 V CB -0.354 31.433 31.823 -0.061 0.000 0.708 194 V HN 0.579 nan 8.190 nan 0.000 0.490 195 N N 0.351 119.007 118.700 -0.073 0.000 2.268 195 N HA 0.378 5.134 4.740 0.025 0.000 0.204 195 N C 0.309 175.766 175.510 -0.088 0.000 1.124 195 N CA 0.387 53.389 53.050 -0.080 0.000 0.838 195 N CB 0.335 38.788 38.487 -0.057 0.000 0.994 195 N HN 0.517 nan 8.380 nan 0.000 0.489 196 A N 1.060 123.826 122.820 -0.090 0.000 2.425 196 A HA 0.150 4.485 4.320 0.025 0.000 0.242 196 A C 0.275 177.784 177.584 -0.125 0.000 1.077 196 A CA -0.142 51.843 52.037 -0.087 0.000 0.781 196 A CB 0.365 19.323 19.000 -0.071 0.000 1.020 196 A HN 0.199 nan 8.150 nan 0.000 0.494 197 K N 0.208 120.542 120.400 -0.109 0.000 2.401 197 K HA 0.393 4.728 4.320 0.025 0.000 0.278 197 K C 1.041 177.566 176.600 -0.126 0.000 1.018 197 K CA 0.986 57.195 56.287 -0.130 0.000 0.981 197 K CB 0.410 32.859 32.500 -0.085 0.000 0.933 197 K HN 1.338 nan 8.250 nan 0.000 0.477 198 G N 0.849 109.544 108.800 -0.176 0.000 2.201 198 G HA2 -0.211 3.765 3.960 0.025 0.000 0.212 198 G HA3 -0.211 3.765 3.960 0.025 0.000 0.212 198 G C -0.171 174.644 174.900 -0.141 0.000 0.994 198 G CA -0.403 44.754 45.100 0.095 0.000 0.644 198 G HN 0.409 nan 8.290 nan 0.000 0.508 199 V N 1.673 121.328 119.914 -0.432 0.000 2.370 199 V HA 0.795 4.930 4.120 0.025 0.000 0.279 199 V C -0.139 175.605 176.094 -0.584 0.000 1.029 199 V CA -0.304 61.782 62.300 -0.357 0.000 0.870 199 V CB 0.861 32.544 31.823 -0.234 0.000 0.984 199 V HN 0.231 nan 8.190 nan 0.000 0.451 200 F N 2.566 122.424 119.950 -0.153 0.000 2.620 200 F HA 0.707 5.249 4.527 0.024 0.000 0.320 200 F C -0.096 175.522 175.800 -0.304 0.000 1.069 200 F CA -0.917 57.027 58.000 -0.094 0.000 0.953 200 F CB 2.068 41.122 39.000 0.089 0.000 1.322 200 F HN 0.636 nan 8.300 nan 0.000 0.479 201 D N -2.394 117.981 120.400 -0.041 0.000 2.614 201 D HA 0.173 4.828 4.640 0.025 0.000 0.264 201 D C 0.806 177.078 176.300 -0.047 0.000 1.092 201 D CA -0.549 53.223 54.000 -0.379 0.000 1.071 201 D CB 0.204 40.860 40.800 -0.240 0.000 1.443 201 D HN 0.622 nan 8.370 nan 0.000 0.528 202 H N -0.621 118.430 119.070 -0.032 0.000 2.426 202 H HA -0.129 4.442 4.556 0.025 0.000 0.298 202 H C 1.334 176.834 175.328 0.287 0.000 1.107 202 H CA 1.843 58.035 56.048 0.241 0.000 1.298 202 H CB -0.431 29.390 29.762 0.099 0.000 1.377 202 H HN 0.433 nan 8.280 nan 0.000 0.519 203 A N 1.380 123.862 122.820 -0.564 0.000 1.854 203 A HA -0.128 4.207 4.320 0.025 0.000 0.214 203 A C 2.755 180.403 177.584 0.106 0.000 1.192 203 A CA 2.282 54.190 52.037 -0.216 0.000 0.611 203 A CB -1.105 17.736 19.000 -0.264 0.000 0.832 203 A HN 0.683 nan 8.150 nan 0.000 0.442 204 T N -1.933 112.706 114.554 0.142 0.000 2.995 204 T HA -0.059 4.306 4.350 0.025 0.000 0.269 204 T C 1.717 176.686 174.700 0.449 0.000 1.091 204 T CA 1.248 63.523 62.100 0.292 0.000 1.128 204 T CB -0.406 68.625 68.868 0.272 0.000 0.891 204 T HN 0.172 nan 8.240 nan 0.000 0.492 205 L N 2.560 124.038 121.223 0.425 0.000 2.042 205 L HA 0.033 4.389 4.340 0.025 0.000 0.210 205 L C 2.342 179.348 176.870 0.227 0.000 1.076 205 L CA 1.712 56.717 54.840 0.275 0.000 0.749 205 L CB -0.502 41.826 42.059 0.449 0.000 0.893 205 L HN 0.395 nan 8.230 nan 0.000 0.432 206 V N -4.252 115.841 119.914 0.298 0.000 3.577 206 V HA 0.209 4.345 4.120 0.025 0.000 0.294 206 V C 1.350 177.584 176.094 0.235 0.000 1.317 206 V CA 0.549 63.029 62.300 0.300 0.000 1.169 206 V CB -0.453 31.606 31.823 0.394 0.000 1.011 206 V HN 0.424 nan 8.190 nan 0.000 0.426 207 E N 0.837 121.182 120.200 0.241 0.000 2.444 207 E HA 0.174 4.540 4.350 0.025 0.000 0.209 207 E C 1.038 177.779 176.600 0.235 0.000 0.806 207 E CA 0.506 57.042 56.400 0.226 0.000 1.240 207 E CB 0.609 30.457 29.700 0.246 0.000 1.238 207 E HN 0.786 nan 8.360 nan 0.000 0.591 208 E N 0.798 121.182 120.200 0.306 0.000 2.660 208 E HA 0.131 4.496 4.350 0.025 0.000 0.216 208 E C -0.164 176.705 176.600 0.448 0.000 0.986 208 E CA -0.210 56.408 56.400 0.362 0.000 1.037 208 E CB 0.738 30.670 29.700 0.388 0.000 1.041 208 E HN -0.120 nan 8.360 nan 0.000 0.480 209 L N 3.272 124.645 121.223 0.250 0.000 2.454 209 L HA 0.094 4.449 4.340 0.025 0.000 0.284 209 L C 0.087 177.022 176.870 0.109 0.000 1.139 209 L CA 0.237 55.117 54.840 0.066 0.000 0.911 209 L CB 0.133 42.051 42.059 -0.235 0.000 1.262 209 L HN -0.013 nan 8.230 nan 0.000 0.453 210 D N 2.989 123.545 120.400 0.261 0.000 2.424 210 D HA 0.104 4.759 4.640 0.025 0.000 0.220 210 D C -0.340 176.129 176.300 0.281 0.000 1.150 210 D CA -0.090 54.049 54.000 0.232 0.000 0.831 210 D CB -0.350 40.595 40.800 0.242 0.000 0.981 210 D HN 0.451 nan 8.370 nan 0.000 0.500 211 Y N -2.353 117.996 120.300 0.082 0.000 2.670 211 Y HA 0.686 5.251 4.550 0.025 0.000 0.334 211 Y C -1.246 174.645 175.900 -0.015 0.000 1.185 211 Y CA -1.720 56.408 58.100 0.046 0.000 1.053 211 Y CB 0.900 39.405 38.460 0.076 0.000 1.298 211 Y HN -0.226 nan 8.280 nan 0.000 0.459 212 E N 3.003 123.181 120.200 -0.036 0.000 2.115 212 E HA 0.510 4.875 4.350 0.025 0.000 0.282 212 E C -2.732 173.779 176.600 -0.149 0.000 0.987 212 E CA -2.547 53.736 56.400 -0.195 0.000 0.797 212 E CB 1.000 30.651 29.700 -0.082 0.000 1.086 212 E HN 0.468 nan 8.360 nan 0.000 0.397 213 P HA 0.087 nan 4.420 nan 0.000 0.269 213 P C 0.063 177.315 177.300 -0.079 0.000 1.211 213 P CA 0.128 63.064 63.100 -0.274 0.000 0.781 213 P CB 0.705 31.884 31.700 -0.867 0.000 0.877 214 G N 0.128 108.955 108.800 0.045 0.000 2.489 214 G HA2 0.167 4.143 3.960 0.025 0.000 0.271 214 G HA3 0.167 4.143 3.960 0.025 0.000 0.271 214 G C 1.085 175.977 174.900 -0.013 0.000 1.427 214 G CA 0.161 45.281 45.100 0.033 0.000 1.057 214 G HN 0.510 nan 8.290 nan 0.000 0.532 215 S N -2.038 113.663 115.700 0.002 0.000 2.522 215 S HA 0.108 4.593 4.470 0.025 0.000 0.227 215 S C 0.794 175.396 174.600 0.004 0.000 0.986 215 S CA 0.819 59.014 58.200 -0.008 0.000 0.929 215 S CB -0.033 63.166 63.200 -0.002 0.000 0.769 215 S HN 0.408 nan 8.310 nan 0.000 0.529 216 T N 1.685 116.257 114.554 0.030 0.000 2.861 216 T HA 0.661 5.026 4.350 0.025 0.000 0.287 216 T C -1.080 173.673 174.700 0.089 0.000 1.003 216 T CA -0.558 61.572 62.100 0.050 0.000 0.977 216 T CB 2.006 70.904 68.868 0.050 0.000 0.996 216 T HN 0.034 nan 8.240 nan 0.000 0.448 217 V N 3.043 123.016 119.914 0.098 0.000 2.588 217 V HA 0.554 4.689 4.120 0.025 0.000 0.304 217 V C -0.505 175.659 176.094 0.117 0.000 1.042 217 V CA -0.784 61.603 62.300 0.145 0.000 0.877 217 V CB 2.093 33.991 31.823 0.125 0.000 0.996 217 V HN 0.703 nan 8.190 nan 0.000 0.425 218 V N 5.232 125.199 119.914 0.088 0.000 2.417 218 V HA 0.509 4.644 4.120 0.025 0.000 0.291 218 V C -0.271 175.884 176.094 0.103 0.000 1.024 218 V CA -0.531 61.817 62.300 0.081 0.000 0.861 218 V CB 1.977 33.829 31.823 0.048 0.000 0.985 218 V HN 0.617 nan 8.190 nan 0.000 0.436 219 V N 5.785 125.794 119.914 0.159 0.000 2.417 219 V HA 0.445 4.580 4.120 0.025 0.000 0.291 219 V C -0.172 176.008 176.094 0.143 0.000 1.024 219 V CA -0.615 61.824 62.300 0.232 0.000 0.861 219 V CB 2.010 34.025 31.823 0.321 0.000 0.985 219 V HN 0.599 nan 8.190 nan 0.000 0.436 220 V N 4.394 124.371 119.914 0.104 0.000 2.350 220 V HA 0.929 5.064 4.120 0.025 0.000 0.276 220 V C 0.583 176.706 176.094 0.049 0.000 1.028 220 V CA 0.470 62.799 62.300 0.047 0.000 0.860 220 V CB 0.605 32.425 31.823 -0.004 0.000 0.990 220 V HN 1.301 nan 8.190 nan 0.000 0.453 221 G N 3.678 112.508 108.800 0.049 0.000 2.484 221 G HA2 0.331 4.307 3.960 0.025 0.000 0.685 221 G HA3 0.331 4.307 3.960 0.025 0.000 0.685 221 G C 0.096 175.032 174.900 0.060 0.000 1.294 221 G CA -0.319 44.807 45.100 0.044 0.000 0.879 221 G HN 1.144 nan 8.290 nan 0.000 0.646 222 G N -0.628 108.198 108.800 0.043 0.000 3.735 222 G HA2 0.552 4.528 3.960 0.025 0.000 0.283 222 G HA3 0.552 4.528 3.960 0.025 0.000 0.283 222 G C 0.768 175.692 174.900 0.039 0.000 1.007 222 G CA 1.474 46.600 45.100 0.044 0.000 0.821 222 G HN 1.468 nan 8.290 nan 0.000 0.505 223 S N -0.143 115.580 115.700 0.038 0.000 2.606 223 S HA 0.177 4.662 4.470 0.025 0.000 0.257 223 S C 1.819 176.436 174.600 0.027 0.000 1.327 223 S CA -0.060 58.156 58.200 0.026 0.000 0.984 223 S CB 0.920 64.128 63.200 0.013 0.000 0.941 223 S HN 0.303 nan 8.310 nan 0.000 0.576 224 K N 0.413 120.816 120.400 0.006 0.000 2.044 224 K HA -0.112 4.223 4.320 0.025 0.000 0.210 224 K C 2.227 178.810 176.600 -0.028 0.000 1.049 224 K CA 2.090 58.366 56.287 -0.017 0.000 0.927 224 K CB -0.802 31.654 32.500 -0.073 0.000 0.713 224 K HN 0.631 nan 8.250 nan 0.000 0.443 225 T N 1.087 115.619 114.554 -0.037 0.000 2.684 225 T HA -0.186 4.179 4.350 0.025 0.000 0.267 225 T C 1.993 176.769 174.700 0.126 0.000 1.036 225 T CA 1.492 63.589 62.100 -0.004 0.000 1.148 225 T CB -0.320 68.513 68.868 -0.058 0.000 0.863 225 T HN 0.375 nan 8.240 nan 0.000 0.436 226 A N 0.885 123.787 122.820 0.137 0.000 1.883 226 A HA -0.071 4.264 4.320 0.025 0.000 0.217 226 A C 2.602 180.282 177.584 0.161 0.000 1.186 226 A CA 1.559 53.724 52.037 0.214 0.000 0.624 226 A CB -1.036 18.059 19.000 0.158 0.000 0.822 226 A HN 0.363 nan 8.150 nan 0.000 0.444 227 V N -0.089 119.885 119.914 0.100 0.000 2.358 227 V HA -0.259 3.876 4.120 0.025 0.000 0.246 227 V C 2.414 178.531 176.094 0.039 0.000 1.047 227 V CA 2.310 64.652 62.300 0.070 0.000 1.035 227 V CB -0.887 30.973 31.823 0.062 0.000 0.658 227 V HN 0.644 nan 8.190 nan 0.000 0.452 228 E N -0.864 119.364 120.200 0.047 0.000 2.051 228 E HA -0.227 4.138 4.350 0.025 0.000 0.192 228 E C 2.133 178.683 176.600 -0.083 0.000 0.991 228 E CA 1.915 58.321 56.400 0.009 0.000 0.799 228 E CB -0.276 29.383 29.700 -0.069 0.000 0.748 228 E HN 0.724 nan 8.360 nan 0.000 0.449 229 Y N 0.025 120.150 120.300 -0.292 0.000 2.263 229 Y HA -0.093 4.472 4.550 0.025 0.000 0.292 229 Y C 2.544 177.988 175.900 -0.759 0.000 1.130 229 Y CA 0.622 58.326 58.100 -0.660 0.000 1.179 229 Y CB -0.334 37.537 38.460 -0.981 0.000 0.998 229 Y HN 0.123 nan 8.280 nan 0.000 0.532 230 G N -0.799 107.931 108.800 -0.116 0.000 2.440 230 G HA2 -0.276 3.699 3.960 0.025 0.000 0.218 230 G HA3 -0.276 3.699 3.960 0.025 0.000 0.218 230 G C 1.602 176.479 174.900 -0.039 0.000 1.154 230 G CA 1.340 46.472 45.100 0.054 0.000 0.767 230 G HN 0.449 nan 8.290 nan 0.000 0.552 231 C N -0.161 119.054 119.300 -0.143 0.000 2.435 231 C HA 0.072 4.547 4.460 0.025 0.000 0.279 231 C C 2.397 177.241 174.990 -0.243 0.000 1.321 231 C CA 0.509 59.338 59.018 -0.315 0.000 1.752 231 C CB -1.165 26.190 27.740 -0.641 0.000 1.959 231 C HN 0.481 nan 8.230 nan 0.000 0.500 232 F N 1.471 121.177 119.950 -0.406 0.000 2.084 232 F HA -0.059 4.483 4.527 0.026 0.000 0.296 232 F C 1.883 177.540 175.800 -0.238 0.000 1.111 232 F CA 1.524 59.291 58.000 -0.388 0.000 1.224 232 F CB -0.816 37.806 39.000 -0.630 0.000 0.991 232 F HN 0.154 nan 8.300 nan 0.000 0.471 233 F N 1.048 120.761 119.950 -0.394 0.000 2.126 233 F HA -0.195 4.347 4.527 0.025 0.000 0.299 233 F C 2.457 178.087 175.800 -0.283 0.000 1.096 233 F CA 1.585 59.325 58.000 -0.434 0.000 1.255 233 F CB -1.921 37.008 39.000 -0.117 0.000 0.997 233 F HN 0.185 nan 8.300 nan 0.000 0.479 234 N N 0.496 119.225 118.700 0.048 0.000 2.120 234 N HA -0.163 4.592 4.740 0.025 0.000 0.188 234 N C 1.829 177.357 175.510 0.029 0.000 1.024 234 N CA 1.482 54.574 53.050 0.070 0.000 0.852 234 N CB -0.323 38.259 38.487 0.158 0.000 1.003 234 N HN 0.143 nan 8.380 nan 0.000 0.424 235 A N -0.441 122.402 122.820 0.038 0.000 2.019 235 A HA -0.137 4.199 4.320 0.025 0.000 0.219 235 A C 2.200 179.730 177.584 -0.091 0.000 1.164 235 A CA 2.035 54.090 52.037 0.030 0.000 0.644 235 A CB -1.457 17.603 19.000 0.100 0.000 0.805 235 A HN 0.643 nan 8.150 nan 0.000 0.449 236 T N -4.037 110.379 114.554 -0.230 0.000 3.113 236 T HA 0.336 4.701 4.350 0.025 0.000 0.263 236 T C 1.288 175.909 174.700 -0.131 0.000 1.143 236 T CA 1.197 63.159 62.100 -0.229 0.000 1.090 236 T CB -0.216 68.422 68.868 -0.383 0.000 0.922 236 T HN 1.742 nan 8.240 nan 0.000 0.521 237 G N 1.003 109.746 108.800 -0.094 0.000 2.145 237 G HA2 -0.151 3.824 3.960 0.025 0.000 0.176 237 G HA3 -0.151 3.824 3.960 0.025 0.000 0.176 237 G C -0.143 174.726 174.900 -0.053 0.000 1.013 237 G CA -0.549 44.514 45.100 -0.062 0.000 0.689 237 G HN 0.680 nan 8.290 nan 0.000 0.506 238 R N -0.279 120.192 120.500 -0.048 0.000 2.637 238 R HA 0.561 4.916 4.340 0.025 0.000 0.291 238 R C 0.547 176.853 176.300 0.009 0.000 0.963 238 R CA -1.024 55.060 56.100 -0.027 0.000 0.901 238 R CB 1.481 31.751 30.300 -0.049 0.000 1.160 238 R HN 0.222 nan 8.270 nan 0.000 0.457 239 R N 1.636 122.144 120.500 0.015 0.000 2.458 239 R HA 0.033 4.388 4.340 0.025 0.000 0.303 239 R C -1.005 175.328 176.300 0.056 0.000 1.013 239 R CA 0.700 56.818 56.100 0.030 0.000 1.026 239 R CB 0.392 30.706 30.300 0.024 0.000 0.948 239 R HN 0.502 nan 8.270 nan 0.000 0.417 240 T N 4.470 119.067 114.554 0.073 0.000 2.786 240 T HA 0.300 4.665 4.350 0.025 0.000 0.283 240 T C -0.755 174.002 174.700 0.096 0.000 0.992 240 T CA -0.582 61.583 62.100 0.109 0.000 0.954 240 T CB 1.640 70.597 68.868 0.148 0.000 0.934 240 T HN 0.303 nan 8.240 nan 0.000 0.440 241 V N 5.100 125.071 119.914 0.096 0.000 2.384 241 V HA 0.450 4.585 4.120 0.025 0.000 0.287 241 V C -0.043 176.106 176.094 0.092 0.000 1.020 241 V CA -0.727 61.619 62.300 0.077 0.000 0.850 241 V CB 1.434 33.292 31.823 0.058 0.000 0.987 241 V HN 0.865 nan 8.190 nan 0.000 0.436 242 M N 5.961 125.611 119.600 0.084 0.000 2.129 242 M HA 0.490 4.986 4.480 0.025 0.000 0.348 242 M C -0.854 175.483 176.300 0.062 0.000 1.116 242 M CA -0.333 55.020 55.300 0.088 0.000 1.022 242 M CB 1.363 34.016 32.600 0.088 0.000 1.599 242 M HN 0.438 nan 8.290 nan 0.000 0.449 243 L N 4.927 126.186 121.223 0.060 0.000 2.315 243 L HA 0.373 4.728 4.340 0.025 0.000 0.278 243 L C -0.552 176.340 176.870 0.035 0.000 1.088 243 L CA -0.718 54.146 54.840 0.039 0.000 0.899 243 L CB 0.403 42.481 42.059 0.032 0.000 1.277 243 L HN 0.398 nan 8.230 nan 0.000 0.431 244 V N 3.466 123.398 119.914 0.030 0.000 2.465 244 V HA 0.188 4.323 4.120 0.025 0.000 0.279 244 V C 1.356 177.458 176.094 0.014 0.000 1.045 244 V CA -0.342 61.972 62.300 0.024 0.000 0.938 244 V CB 1.640 33.476 31.823 0.022 0.000 0.986 244 V HN 0.744 nan 8.190 nan 0.000 0.467 245 R N 2.388 122.895 120.500 0.011 0.000 2.075 245 R HA -0.099 4.256 4.340 0.025 0.000 0.232 245 R C 1.532 177.833 176.300 0.003 0.000 1.126 245 R CA 2.061 58.164 56.100 0.005 0.000 0.963 245 R CB 0.101 30.403 30.300 0.003 0.000 0.858 245 R HN 0.986 nan 8.270 nan 0.000 0.435 246 T N -2.333 112.223 114.554 0.003 0.000 1.878 246 T HA 0.254 4.619 4.350 0.025 0.000 0.182 246 T C -0.063 174.636 174.700 -0.001 0.000 0.686 246 T CA -0.779 61.321 62.100 -0.000 0.000 1.483 246 T CB 0.188 69.055 68.868 -0.002 0.000 3.294 246 T HN -0.130 nan 8.240 nan 0.000 0.405 247 E N 3.150 123.348 120.200 -0.005 0.000 2.175 247 E HA 0.405 4.770 4.350 0.025 0.000 0.278 247 E C -2.479 174.117 176.600 -0.007 0.000 0.969 247 E CA -2.463 53.932 56.400 -0.009 0.000 0.796 247 E CB 1.455 31.146 29.700 -0.015 0.000 1.104 247 E HN 0.440 nan 8.360 nan 0.000 0.395 248 P HA 0.061 nan 4.420 nan 0.000 0.271 248 P C 0.211 177.503 177.300 -0.013 0.000 1.220 248 P CA -0.051 63.048 63.100 -0.001 0.000 0.768 248 P CB 0.629 32.332 31.700 0.004 0.000 0.848 249 L N 0.962 122.179 121.223 -0.009 0.000 3.660 249 L HA -0.260 4.096 4.340 0.025 0.000 0.440 249 L C 1.510 178.342 176.870 -0.063 0.000 1.262 249 L CA 0.430 55.253 54.840 -0.028 0.000 0.837 249 L CB -1.418 40.626 42.059 -0.026 0.000 1.689 249 L HN 0.515 nan 8.230 nan 0.000 0.890 250 K N 0.036 120.407 120.400 -0.047 0.000 2.209 250 K HA -0.089 4.246 4.320 0.025 0.000 0.204 250 K C 1.888 178.433 176.600 -0.092 0.000 1.048 250 K CA 1.111 57.363 56.287 -0.058 0.000 0.940 250 K CB 0.016 32.498 32.500 -0.031 0.000 0.729 250 K HN 0.486 nan 8.250 nan 0.000 0.451 251 L N 1.126 122.293 121.223 -0.092 0.000 2.127 251 L HA -0.126 4.230 4.340 0.025 0.000 0.211 251 L C 1.033 177.656 176.870 -0.412 0.000 1.089 251 L CA 0.790 55.552 54.840 -0.131 0.000 0.757 251 L CB -0.277 41.776 42.059 -0.009 0.000 0.899 251 L HN 0.164 nan 8.230 nan 0.000 0.434 252 I N 0.561 120.855 120.570 -0.461 0.000 2.293 252 I HA -0.034 4.152 4.170 0.025 0.000 0.299 252 I C 1.192 177.127 176.117 -0.302 0.000 1.153 252 I CA 0.076 61.024 61.300 -0.587 0.000 1.302 252 I CB 0.519 38.289 38.000 -0.382 0.000 1.460 252 I HN 0.106 nan 8.210 nan 0.000 0.552 253 K N 2.644 122.897 120.400 -0.245 0.000 2.097 253 K HA -0.135 4.200 4.320 0.025 0.000 0.205 253 K C 0.523 177.034 176.600 -0.149 0.000 1.050 253 K CA 0.883 57.090 56.287 -0.134 0.000 0.938 253 K CB -0.104 32.362 32.500 -0.056 0.000 0.718 253 K HN 0.504 nan 8.250 nan 0.000 0.442 254 D N 0.838 121.094 120.400 -0.241 0.000 2.382 254 D HA 0.004 4.659 4.640 0.025 0.000 0.259 254 D C 0.433 176.629 176.300 -0.173 0.000 1.224 254 D CA 0.221 54.048 54.000 -0.289 0.000 0.894 254 D CB 0.490 40.915 40.800 -0.625 0.000 1.127 254 D HN 0.065 nan 8.370 nan 0.000 0.487 255 N N 2.692 121.320 118.700 -0.120 0.000 2.069 255 N HA -0.192 4.563 4.740 0.025 0.000 0.191 255 N C 1.113 176.559 175.510 -0.107 0.000 1.031 255 N CA 0.915 53.908 53.050 -0.095 0.000 0.852 255 N CB 0.096 38.541 38.487 -0.068 0.000 1.018 255 N HN 0.585 nan 8.380 nan 0.000 0.423 256 E N 0.041 120.179 120.200 -0.102 0.000 2.077 256 E HA -0.139 4.226 4.350 0.025 0.000 0.193 256 E C 1.879 178.286 176.600 -0.321 0.000 0.989 256 E CA 1.248 57.540 56.400 -0.181 0.000 0.800 256 E CB -0.044 29.609 29.700 -0.078 0.000 0.746 256 E HN 0.369 nan 8.360 nan 0.000 0.452 257 T N 0.669 115.143 114.554 -0.133 0.000 2.746 257 T HA -0.164 4.202 4.350 0.025 0.000 0.267 257 T C 1.833 176.500 174.700 -0.056 0.000 1.039 257 T CA 1.083 63.161 62.100 -0.036 0.000 1.142 257 T CB -0.143 68.807 68.868 0.136 0.000 0.866 257 T HN 0.121 nan 8.240 nan 0.000 0.444 258 R N 0.837 121.287 120.500 -0.084 0.000 2.081 258 R HA -0.050 4.305 4.340 0.025 0.000 0.235 258 R C 2.629 178.886 176.300 -0.071 0.000 1.131 258 R CA 1.410 57.466 56.100 -0.074 0.000 0.960 258 R CB -0.449 29.794 30.300 -0.094 0.000 0.856 258 R HN 0.380 nan 8.270 nan 0.000 0.436 259 A N 0.012 122.771 122.820 -0.101 0.000 1.902 259 A HA -0.234 4.101 4.320 0.025 0.000 0.217 259 A C 2.004 179.521 177.584 -0.112 0.000 1.181 259 A CA 1.405 53.380 52.037 -0.104 0.000 0.623 259 A CB -0.885 18.044 19.000 -0.118 0.000 0.818 259 A HN 0.608 nan 8.150 nan 0.000 0.443 260 Y N 0.619 120.750 120.300 -0.282 0.000 2.145 260 Y HA -0.200 4.365 4.550 0.025 0.000 0.286 260 Y C 2.390 178.190 175.900 -0.166 0.000 1.145 260 Y CA 2.068 59.998 58.100 -0.283 0.000 1.148 260 Y CB -0.349 37.832 38.460 -0.464 0.000 0.981 260 Y HN 0.071 nan 8.280 nan 0.000 0.507 261 V N 0.506 120.415 119.914 -0.009 0.000 2.287 261 V HA -0.345 3.791 4.120 0.025 0.000 0.248 261 V C 2.456 178.523 176.094 -0.046 0.000 1.053 261 V CA 2.164 64.459 62.300 -0.009 0.000 1.027 261 V CB -0.850 31.014 31.823 0.068 0.000 0.646 261 V HN 0.449 nan 8.190 nan 0.000 0.447 262 L N -0.297 120.896 121.223 -0.050 0.000 2.046 262 L HA -0.176 4.180 4.340 0.025 0.000 0.208 262 L C 2.400 179.229 176.870 -0.069 0.000 1.077 262 L CA 1.523 56.340 54.840 -0.039 0.000 0.747 262 L CB -0.726 41.310 42.059 -0.039 0.000 0.896 262 L HN 0.341 nan 8.230 nan 0.000 0.432 263 D N -0.292 120.029 120.400 -0.130 0.000 2.117 263 D HA -0.139 4.516 4.640 0.025 0.000 0.197 263 D C 2.375 178.580 176.300 -0.158 0.000 0.987 263 D CA 0.886 54.797 54.000 -0.149 0.000 0.829 263 D CB -0.111 40.574 40.800 -0.192 0.000 0.961 263 D HN 0.129 nan 8.370 nan 0.000 0.460 264 R N 0.065 120.426 120.500 -0.232 0.000 2.092 264 R HA 0.032 4.387 4.340 0.025 0.000 0.231 264 R C 2.372 178.656 176.300 -0.027 0.000 1.119 264 R CA 0.491 56.497 56.100 -0.157 0.000 0.970 264 R CB -0.596 29.602 30.300 -0.171 0.000 0.864 264 R HN 0.343 nan 8.270 nan 0.000 0.440 265 M N 0.486 120.105 119.600 0.031 0.000 2.117 265 M HA -0.150 4.345 4.480 0.025 0.000 0.262 265 M C 2.047 178.370 176.300 0.039 0.000 1.065 265 M CA 1.732 57.096 55.300 0.105 0.000 1.114 265 M CB -0.213 32.455 32.600 0.113 0.000 1.361 265 M HN 0.003 nan 8.290 nan 0.000 0.408 266 K N -0.096 120.303 120.400 -0.002 0.000 2.148 266 K HA -0.185 4.151 4.320 0.025 0.000 0.204 266 K C 1.842 178.421 176.600 -0.035 0.000 1.050 266 K CA 1.156 57.434 56.287 -0.015 0.000 0.942 266 K CB -0.185 32.298 32.500 -0.028 0.000 0.724 266 K HN 0.391 nan 8.250 nan 0.000 0.446 267 E N 0.848 121.015 120.200 -0.055 0.000 2.204 267 E HA -0.185 4.181 4.350 0.025 0.000 0.194 267 E C 1.537 178.087 176.600 -0.083 0.000 0.989 267 E CA 0.817 57.178 56.400 -0.065 0.000 0.824 267 E CB 0.278 29.942 29.700 -0.060 0.000 0.756 267 E HN 0.171 nan 8.360 nan 0.000 0.477 268 Q N -0.776 118.962 119.800 -0.103 0.000 2.482 268 Q HA 0.043 4.398 4.340 0.025 0.000 0.209 268 Q C 1.175 177.133 176.000 -0.071 0.000 0.961 268 Q CA 0.969 56.681 55.803 -0.151 0.000 0.945 268 Q CB 1.070 29.618 28.738 -0.316 0.000 1.012 268 Q HN 0.500 nan 8.270 nan 0.000 0.515 269 G N 0.225 109.004 108.800 -0.035 0.000 2.179 269 G HA2 -0.236 3.740 3.960 0.025 0.000 0.220 269 G HA3 -0.236 3.740 3.960 0.025 0.000 0.220 269 G C 0.179 175.090 174.900 0.017 0.000 0.990 269 G CA -0.031 45.061 45.100 -0.013 0.000 0.646 269 G HN 0.237 nan 8.290 nan 0.000 0.517 270 M N 1.104 120.728 119.600 0.039 0.000 2.228 270 M HA 0.367 4.862 4.480 0.025 0.000 0.351 270 M C 0.200 176.525 176.300 0.042 0.000 1.233 270 M CA 0.571 55.908 55.300 0.062 0.000 1.129 270 M CB 0.559 33.218 32.600 0.098 0.000 1.604 270 M HN 0.194 nan 8.290 nan 0.000 0.457 271 E N 4.018 124.245 120.200 0.045 0.000 2.113 271 E HA 0.452 4.817 4.350 0.025 0.000 0.273 271 E C -1.054 175.569 176.600 0.039 0.000 0.924 271 E CA -0.254 56.166 56.400 0.033 0.000 0.764 271 E CB 1.390 31.108 29.700 0.030 0.000 1.104 271 E HN 0.547 nan 8.360 nan 0.000 0.406 272 I N 4.793 125.381 120.570 0.030 0.000 2.330 272 I HA 0.343 4.528 4.170 0.025 0.000 0.289 272 I C -0.254 175.875 176.117 0.021 0.000 1.001 272 I CA -0.655 60.663 61.300 0.030 0.000 1.193 272 I CB 0.900 38.916 38.000 0.026 0.000 1.345 272 I HN 0.384 nan 8.210 nan 0.000 0.461 273 I N 5.467 126.051 120.570 0.024 0.000 2.355 273 I HA 0.267 4.452 4.170 0.025 0.000 0.288 273 I C 0.224 176.349 176.117 0.014 0.000 0.999 273 I CA -0.160 61.150 61.300 0.016 0.000 1.163 273 I CB 1.486 39.496 38.000 0.018 0.000 1.316 273 I HN 0.519 nan 8.210 nan 0.000 0.454 274 S N 3.639 119.344 115.700 0.007 0.000 2.632 274 S HA 0.431 4.916 4.470 0.025 0.000 0.271 274 S C 0.988 175.589 174.600 0.003 0.000 1.260 274 S CA -0.014 58.189 58.200 0.004 0.000 1.010 274 S CB 1.389 64.588 63.200 -0.001 0.000 0.965 274 S HN 1.051 nan 8.310 nan 0.000 0.534 275 G N 1.744 110.545 108.800 0.002 0.000 2.390 275 G HA2 -0.231 3.744 3.960 0.025 0.000 0.299 275 G HA3 -0.231 3.744 3.960 0.025 0.000 0.299 275 G C 0.068 174.969 174.900 0.002 0.000 1.002 275 G CA 0.439 45.539 45.100 0.001 0.000 0.979 275 G HN 1.041 nan 8.290 nan 0.000 0.513 276 S N -1.173 114.529 115.700 0.004 0.000 2.501 276 S HA 0.768 5.253 4.470 0.025 0.000 0.301 276 S C -0.493 174.109 174.600 0.003 0.000 1.096 276 S CA -0.950 57.253 58.200 0.005 0.000 1.063 276 S CB 2.307 65.513 63.200 0.009 0.000 1.042 276 S HN 0.353 nan 8.310 nan 0.000 0.494 277 N N 0.656 119.356 118.700 0.001 0.000 2.430 277 N HA 0.413 5.169 4.740 0.025 0.000 0.290 277 N C -1.246 174.261 175.510 -0.004 0.000 1.063 277 N CA -0.672 52.377 53.050 -0.002 0.000 0.883 277 N CB 1.878 40.362 38.487 -0.004 0.000 1.465 277 N HN 0.519 nan 8.380 nan 0.000 0.493 278 V N 1.328 121.238 119.914 -0.006 0.000 2.673 278 V HA 0.045 4.180 4.120 0.025 0.000 0.303 278 V C 1.399 177.486 176.094 -0.011 0.000 1.046 278 V CA 0.728 63.023 62.300 -0.008 0.000 1.126 278 V CB 0.840 32.655 31.823 -0.013 0.000 0.934 278 V HN 0.998 nan 8.190 nan 0.000 0.487 279 T N 1.912 116.460 114.554 -0.010 0.000 2.978 279 T HA 0.265 4.631 4.350 0.025 0.000 0.248 279 T C 0.573 175.265 174.700 -0.013 0.000 1.018 279 T CA -0.136 61.957 62.100 -0.011 0.000 1.026 279 T CB 0.372 69.235 68.868 -0.008 0.000 1.032 279 T HN 0.583 nan 8.240 nan 0.000 0.485 280 R N -0.085 120.407 120.500 -0.014 0.000 2.634 280 R HA 0.556 4.911 4.340 0.025 0.000 0.263 280 R C -2.203 174.086 176.300 -0.018 0.000 1.060 280 R CA -0.777 55.314 56.100 -0.016 0.000 0.898 280 R CB 1.403 31.695 30.300 -0.014 0.000 1.253 280 R HN 0.249 nan 8.270 nan 0.000 0.461 281 I N 3.355 123.911 120.570 -0.023 0.000 2.359 281 I HA 0.243 4.428 4.170 0.025 0.000 0.284 281 I C -0.065 176.038 176.117 -0.023 0.000 1.018 281 I CA -0.587 60.698 61.300 -0.025 0.000 1.173 281 I CB 1.783 39.761 38.000 -0.037 0.000 1.326 281 I HN 0.518 nan 8.210 nan 0.000 0.462 282 E N 6.055 126.246 120.200 -0.016 0.000 2.360 282 E HA 0.176 4.541 4.350 0.025 0.000 0.269 282 E C -0.586 176.003 176.600 -0.018 0.000 1.022 282 E CA -0.027 56.364 56.400 -0.015 0.000 0.887 282 E CB 1.018 30.712 29.700 -0.009 0.000 0.990 282 E HN 0.502 nan 8.360 nan 0.000 0.426 283 E N 2.246 122.433 120.200 -0.021 0.000 2.195 283 E HA 0.107 4.473 4.350 0.025 0.000 0.271 283 E C -0.879 175.708 176.600 -0.021 0.000 0.923 283 E CA -0.823 55.562 56.400 -0.025 0.000 0.790 283 E CB 1.274 30.956 29.700 -0.029 0.000 1.155 283 E HN 0.458 nan 8.360 nan 0.000 0.402 284 D N 0.689 121.074 120.400 -0.024 0.000 2.478 284 D HA 0.201 4.856 4.640 0.025 0.000 0.269 284 D C 0.682 176.969 176.300 -0.022 0.000 1.232 284 D CA -0.581 53.407 54.000 -0.021 0.000 1.059 284 D CB 0.450 41.236 40.800 -0.022 0.000 1.104 284 D HN 0.365 nan 8.370 nan 0.000 0.566 285 A N -0.416 122.393 122.820 -0.019 0.000 2.172 285 A HA -0.143 4.192 4.320 0.025 0.000 0.216 285 A C 1.292 178.864 177.584 -0.020 0.000 1.154 285 A CA 0.769 52.795 52.037 -0.017 0.000 0.701 285 A CB -0.729 18.263 19.000 -0.013 0.000 0.789 285 A HN 0.494 nan 8.150 nan 0.000 0.465 286 N N -0.802 117.883 118.700 -0.026 0.000 2.336 286 N HA 0.166 4.921 4.740 0.025 0.000 0.189 286 N C 1.109 176.597 175.510 -0.037 0.000 1.113 286 N CA 0.948 53.980 53.050 -0.031 0.000 0.858 286 N CB 0.449 38.913 38.487 -0.038 0.000 0.970 286 N HN 0.591 nan 8.380 nan 0.000 0.471 287 G N 1.026 109.804 108.800 -0.036 0.000 2.143 287 G HA2 -0.296 3.679 3.960 0.025 0.000 0.249 287 G HA3 -0.296 3.679 3.960 0.025 0.000 0.249 287 G C -0.025 174.843 174.900 -0.054 0.000 0.981 287 G CA -0.218 44.858 45.100 -0.040 0.000 0.665 287 G HN 0.329 nan 8.290 nan 0.000 0.528 288 R N -0.265 120.199 120.500 -0.061 0.000 2.540 288 R HA 0.588 4.943 4.340 0.025 0.000 0.287 288 R C 0.458 176.727 176.300 -0.051 0.000 0.980 288 R CA -0.890 55.164 56.100 -0.077 0.000 0.966 288 R CB 1.939 32.170 30.300 -0.115 0.000 1.106 288 R HN 0.063 nan 8.270 nan 0.000 0.480 289 V N 2.938 122.829 119.914 -0.040 0.000 2.694 289 V HA -0.125 4.010 4.120 0.025 0.000 0.306 289 V C 1.345 177.439 176.094 -0.000 0.000 1.054 289 V CA 0.722 63.012 62.300 -0.016 0.000 1.161 289 V CB 0.757 32.580 31.823 -0.000 0.000 0.916 289 V HN 0.950 nan 8.190 nan 0.000 0.490 290 Q N 3.665 123.465 119.800 -0.000 0.000 2.288 290 Q HA 0.614 4.969 4.340 0.025 0.000 0.256 290 Q C 0.261 176.269 176.000 0.014 0.000 0.835 290 Q CA 0.471 56.279 55.803 0.007 0.000 0.958 290 Q CB 1.164 29.901 28.738 -0.002 0.000 1.125 290 Q HN 0.818 nan 8.270 nan 0.000 0.513 291 A N 0.273 123.098 122.820 0.009 0.000 2.597 291 A HA 0.625 4.961 4.320 0.025 0.000 0.292 291 A C -1.643 175.944 177.584 0.004 0.000 1.057 291 A CA -0.562 51.481 52.037 0.010 0.000 0.674 291 A CB 1.873 20.878 19.000 0.007 0.000 1.278 291 A HN 0.057 nan 8.150 nan 0.000 0.416 292 V N 0.764 120.682 119.914 0.007 0.000 2.540 292 V HA 0.621 4.756 4.120 0.025 0.000 0.302 292 V C -0.548 175.547 176.094 0.002 0.000 1.035 292 V CA -0.582 61.718 62.300 0.002 0.000 0.873 292 V CB 1.613 33.439 31.823 0.005 0.000 0.992 292 V HN 0.779 nan 8.190 nan 0.000 0.428 293 V N 3.530 123.442 119.914 -0.002 0.000 2.495 293 V HA 0.945 5.081 4.120 0.025 0.000 0.298 293 V C 0.173 176.266 176.094 -0.002 0.000 1.031 293 V CA -0.271 62.029 62.300 -0.001 0.000 0.871 293 V CB 1.569 33.390 31.823 -0.004 0.000 0.988 293 V HN 1.084 nan 8.190 nan 0.000 0.432 294 A N 4.711 127.531 122.820 0.000 0.000 2.572 294 A HA 0.919 5.254 4.320 0.025 0.000 0.295 294 A C -1.028 176.556 177.584 0.000 0.000 1.072 294 A CA -0.724 51.313 52.037 -0.000 0.000 0.691 294 A CB 1.866 20.868 19.000 0.003 0.000 1.291 294 A HN 0.785 nan 8.150 nan 0.000 0.404 295 M N 1.892 121.491 119.600 -0.001 0.000 2.233 295 M HA 0.643 5.138 4.480 0.025 0.000 0.355 295 M C 0.265 176.565 176.300 0.000 0.000 1.191 295 M CA 0.258 55.557 55.300 -0.001 0.000 1.101 295 M CB 0.992 33.590 32.600 -0.003 0.000 1.592 295 M HN 1.117 nan 8.290 nan 0.000 0.461 296 T N 1.667 116.221 114.554 0.000 0.000 2.804 296 T HA 0.681 5.047 4.350 0.025 0.000 0.290 296 T C -2.502 172.197 174.700 -0.001 0.000 1.099 296 T CA -1.389 60.712 62.100 0.001 0.000 1.011 296 T CB 1.091 69.960 68.868 0.002 0.000 1.291 296 T HN 0.474 nan 8.240 nan 0.000 0.523 297 P HA 0.123 nan 4.420 nan 0.000 0.228 297 P C 0.220 177.518 177.300 -0.003 0.000 1.151 297 P CA 0.742 63.841 63.100 -0.003 0.000 0.770 297 P CB -0.150 31.548 31.700 -0.003 0.000 0.786 298 N N -0.708 117.991 118.700 -0.002 0.000 2.389 298 N HA 0.383 5.139 4.740 0.025 0.000 0.260 298 N C 0.325 175.834 175.510 -0.002 0.000 1.191 298 N CA 0.333 53.381 53.050 -0.002 0.000 0.885 298 N CB 0.457 38.943 38.487 -0.002 0.000 1.162 298 N HN 0.005 nan 8.380 nan 0.000 0.512 299 G N 0.522 109.321 108.800 -0.002 0.000 2.710 299 G HA2 -0.229 3.747 3.960 0.025 0.000 0.668 299 G HA3 -0.229 3.747 3.960 0.025 0.000 0.668 299 G C -0.766 174.134 174.900 -0.001 0.000 1.320 299 G CA -0.895 44.204 45.100 -0.002 0.000 0.860 299 G HN 0.323 nan 8.290 nan 0.000 0.538 300 E N -0.177 120.023 120.200 -0.001 0.000 2.384 300 E HA 0.445 4.811 4.350 0.025 0.000 0.266 300 E C 0.864 177.465 176.600 0.001 0.000 1.012 300 E CA 0.140 56.539 56.400 -0.001 0.000 0.901 300 E CB 0.229 29.928 29.700 -0.002 0.000 0.967 300 E HN 0.776 nan 8.360 nan 0.000 0.435 301 M N 3.250 122.851 119.600 0.002 0.000 2.591 301 M HA 0.539 5.035 4.480 0.025 0.000 0.306 301 M C -1.027 175.276 176.300 0.004 0.000 1.190 301 M CA -0.991 54.311 55.300 0.004 0.000 0.889 301 M CB 2.320 34.923 32.600 0.006 0.000 1.728 301 M HN 0.334 nan 8.290 nan 0.000 0.458 302 R N 2.808 123.312 120.500 0.005 0.000 2.513 302 R HA 0.752 5.107 4.340 0.025 0.000 0.301 302 R C -2.117 174.189 176.300 0.010 0.000 0.968 302 R CA -0.442 55.662 56.100 0.006 0.000 0.872 302 R CB 1.568 31.870 30.300 0.004 0.000 1.177 302 R HN 0.973 nan 8.270 nan 0.000 0.444 303 I N 3.513 124.090 120.570 0.013 0.000 2.410 303 I HA 0.257 4.442 4.170 0.025 0.000 0.286 303 I C -0.178 175.952 176.117 0.021 0.000 1.009 303 I CA -0.747 60.564 61.300 0.019 0.000 1.111 303 I CB 2.063 40.078 38.000 0.025 0.000 1.262 303 I HN 0.507 nan 8.210 nan 0.000 0.443 304 E N 4.180 124.393 120.200 0.022 0.000 2.316 304 E HA 0.416 4.782 4.350 0.025 0.000 0.275 304 E C -0.267 176.356 176.600 0.037 0.000 1.029 304 E CA 0.078 56.493 56.400 0.024 0.000 0.871 304 E CB 1.538 31.250 29.700 0.019 0.000 1.022 304 E HN 0.544 nan 8.360 nan 0.000 0.418 305 T N 1.062 115.644 114.554 0.046 0.000 2.827 305 T HA 0.113 4.478 4.350 0.025 0.000 0.328 305 T C -1.538 173.217 174.700 0.092 0.000 1.598 305 T CA -0.760 61.386 62.100 0.076 0.000 1.043 305 T CB 1.079 69.998 68.868 0.084 0.000 1.447 305 T HN 0.554 nan 8.240 nan 0.000 0.491 306 D N 1.226 121.717 120.400 0.152 0.000 2.535 306 D HA 0.278 4.933 4.640 0.025 0.000 0.229 306 D C -0.340 176.186 176.300 0.377 0.000 1.238 306 D CA -0.155 53.953 54.000 0.180 0.000 0.824 306 D CB -0.025 40.856 40.800 0.135 0.000 1.045 306 D HN 0.253 nan 8.370 nan 0.000 0.500 307 F N 0.870 120.909 119.950 0.148 0.000 2.689 307 F HA 0.482 5.024 4.527 0.025 0.000 0.332 307 F C -2.017 173.852 175.800 0.114 0.000 1.209 307 F CA -0.886 57.230 58.000 0.192 0.000 1.028 307 F CB 1.679 40.728 39.000 0.081 0.000 1.291 307 F HN -0.215 nan 8.300 nan 0.000 0.500 308 V N 6.916 126.634 119.914 -0.326 0.000 2.540 308 V HA 0.447 4.582 4.120 0.025 0.000 0.302 308 V C -1.146 174.744 176.094 -0.339 0.000 1.035 308 V CA -0.862 61.277 62.300 -0.267 0.000 0.873 308 V CB 1.862 33.616 31.823 -0.115 0.000 0.992 308 V HN 0.631 nan 8.190 nan 0.000 0.428 309 F N 5.531 125.275 119.950 -0.343 0.000 2.449 309 F HA 0.668 5.210 4.527 0.025 0.000 0.342 309 F C -0.532 175.255 175.800 -0.022 0.000 1.127 309 F CA -0.648 57.261 58.000 -0.150 0.000 0.975 309 F CB 1.183 40.215 39.000 0.052 0.000 1.146 309 F HN 0.319 nan 8.300 nan 0.000 0.444 310 L N 6.160 126.979 121.223 -0.674 0.000 2.265 310 L HA 0.446 4.801 4.340 0.025 0.000 0.288 310 L C 0.686 177.193 176.870 -0.604 0.000 1.058 310 L CA -0.565 54.005 54.840 -0.450 0.000 0.809 310 L CB 1.232 43.104 42.059 -0.312 0.000 1.179 310 L HN 0.924 nan 8.230 nan 0.000 0.429 311 G N 5.130 113.807 108.800 -0.204 0.000 4.804 311 G HA2 0.466 4.441 3.960 0.025 0.000 0.310 311 G HA3 0.466 4.441 3.960 0.025 0.000 0.310 311 G C -0.045 174.834 174.900 -0.036 0.000 1.389 311 G CA -0.298 44.767 45.100 -0.059 0.000 1.106 311 G HN 0.347 nan 8.290 nan 0.000 0.595 312 L N 0.314 121.495 121.223 -0.069 0.000 2.454 312 L HA 0.612 4.967 4.340 0.025 0.000 0.256 312 L C 1.358 178.213 176.870 -0.025 0.000 1.136 312 L CA -1.033 53.784 54.840 -0.038 0.000 0.804 312 L CB 0.744 42.776 42.059 -0.046 0.000 1.181 312 L HN 0.268 nan 8.230 nan 0.000 0.469 313 G N 0.201 108.991 108.800 -0.016 0.000 2.432 313 G HA2 0.146 4.121 3.960 0.025 0.000 0.239 313 G HA3 0.146 4.121 3.960 0.025 0.000 0.239 313 G C -0.347 174.550 174.900 -0.004 0.000 1.291 313 G CA -0.233 44.860 45.100 -0.012 0.000 0.863 313 G HN 0.599 nan 8.290 nan 0.000 0.560 314 E N 0.225 120.425 120.200 -0.001 0.000 2.373 314 E HA 0.201 4.566 4.350 0.025 0.000 0.267 314 E C -0.018 176.589 176.600 0.013 0.000 1.032 314 E CA -0.034 56.379 56.400 0.021 0.000 0.889 314 E CB 0.600 30.311 29.700 0.019 0.000 0.984 314 E HN 0.291 nan 8.360 nan 0.000 0.425 315 Q N 4.065 123.876 119.800 0.019 0.000 2.333 315 Q HA 0.365 4.720 4.340 0.025 0.000 0.265 315 Q C -2.268 173.737 176.000 0.007 0.000 0.989 315 Q CA -2.541 53.267 55.803 0.007 0.000 0.842 315 Q CB 1.145 29.884 28.738 0.002 0.000 1.262 315 Q HN 0.371 nan 8.270 nan 0.000 0.451 316 P HA -0.058 nan 4.420 nan 0.000 0.261 316 P C -0.281 177.017 177.300 -0.003 0.000 1.173 316 P CA 0.413 63.513 63.100 0.000 0.000 0.760 316 P CB 0.430 32.128 31.700 -0.003 0.000 0.783 317 R N 2.202 122.699 120.500 -0.005 0.000 4.138 317 R HA 0.089 4.444 4.340 0.025 0.000 0.206 317 R C 0.872 177.163 176.300 -0.015 0.000 1.667 317 R CA 0.152 56.243 56.100 -0.014 0.000 1.481 317 R CB -0.370 29.915 30.300 -0.025 0.000 1.388 317 R HN 0.540 nan 8.270 nan 0.000 0.776 318 S N -0.962 114.730 115.700 -0.013 0.000 2.502 318 S HA 0.070 4.555 4.470 0.025 0.000 0.215 318 S C 1.964 176.556 174.600 -0.014 0.000 1.009 318 S CA 0.182 58.374 58.200 -0.012 0.000 0.908 318 S CB 0.550 63.744 63.200 -0.010 0.000 0.801 318 S HN 0.418 nan 8.310 nan 0.000 0.505 319 A N 2.666 125.477 122.820 -0.015 0.000 1.859 319 A HA -0.239 4.096 4.320 0.025 0.000 0.218 319 A C 2.153 179.729 177.584 -0.015 0.000 1.209 319 A CA 2.067 54.095 52.037 -0.014 0.000 0.639 319 A CB -1.224 17.767 19.000 -0.015 0.000 0.835 319 A HN 0.664 nan 8.150 nan 0.000 0.450 320 E N -0.502 119.688 120.200 -0.017 0.000 2.051 320 E HA -0.160 4.205 4.350 0.025 0.000 0.192 320 E C 2.014 178.605 176.600 -0.016 0.000 0.991 320 E CA 1.203 57.593 56.400 -0.017 0.000 0.799 320 E CB -0.236 29.453 29.700 -0.020 0.000 0.748 320 E HN 0.603 nan 8.360 nan 0.000 0.449 321 L N 0.294 121.506 121.223 -0.017 0.000 2.083 321 L HA -0.164 4.191 4.340 0.025 0.000 0.209 321 L C 2.619 179.479 176.870 -0.016 0.000 1.083 321 L CA 1.027 55.857 54.840 -0.017 0.000 0.752 321 L CB -0.420 41.629 42.059 -0.018 0.000 0.899 321 L HN 0.236 nan 8.230 nan 0.000 0.433 322 A N -0.033 122.778 122.820 -0.015 0.000 1.930 322 A HA -0.241 4.094 4.320 0.025 0.000 0.217 322 A C 2.407 179.983 177.584 -0.013 0.000 1.175 322 A CA 1.869 53.898 52.037 -0.015 0.000 0.627 322 A CB -0.389 18.603 19.000 -0.013 0.000 0.815 322 A HN 0.348 nan 8.150 nan 0.000 0.443 323 K N -0.237 120.156 120.400 -0.012 0.000 2.025 323 K HA -0.056 4.279 4.320 0.025 0.000 0.207 323 K C 1.826 178.421 176.600 -0.009 0.000 1.049 323 K CA 1.496 57.777 56.287 -0.010 0.000 0.933 323 K CB -0.290 32.205 32.500 -0.009 0.000 0.714 323 K HN 0.483 nan 8.250 nan 0.000 0.438 324 I N 1.002 121.567 120.570 -0.009 0.000 2.202 324 I HA -0.267 3.919 4.170 0.025 0.000 0.242 324 I C 2.044 178.155 176.117 -0.010 0.000 1.091 324 I CA 1.181 62.476 61.300 -0.008 0.000 1.368 324 I CB -0.056 37.939 38.000 -0.008 0.000 1.058 324 I HN 0.171 nan 8.210 nan 0.000 0.410 325 L N -0.077 121.137 121.223 -0.015 0.000 2.477 325 L HA 0.241 4.596 4.340 0.025 0.000 0.220 325 L C 1.299 178.157 176.870 -0.019 0.000 1.106 325 L CA 0.505 55.333 54.840 -0.021 0.000 0.851 325 L CB -0.210 41.830 42.059 -0.030 0.000 0.994 325 L HN 0.469 nan 8.230 nan 0.000 0.462 326 G N 1.331 110.121 108.800 -0.016 0.000 2.248 326 G HA2 -0.241 3.734 3.960 0.025 0.000 0.252 326 G HA3 -0.241 3.734 3.960 0.025 0.000 0.252 326 G C -0.047 174.842 174.900 -0.018 0.000 1.085 326 G CA -0.369 44.722 45.100 -0.015 0.000 0.845 326 G HN 0.167 nan 8.290 nan 0.000 0.494 327 L N 0.401 121.612 121.223 -0.020 0.000 2.380 327 L HA 0.332 4.687 4.340 0.025 0.000 0.273 327 L C 0.275 177.135 176.870 -0.018 0.000 1.138 327 L CA -0.774 54.052 54.840 -0.022 0.000 0.832 327 L CB 0.487 42.533 42.059 -0.022 0.000 1.124 327 L HN 0.043 nan 8.230 nan 0.000 0.454 328 D N 3.709 124.098 120.400 -0.018 0.000 2.390 328 D HA 0.424 5.079 4.640 0.025 0.000 0.249 328 D C -0.175 176.117 176.300 -0.014 0.000 1.144 328 D CA 0.203 54.194 54.000 -0.015 0.000 0.880 328 D CB 1.076 41.867 40.800 -0.015 0.000 1.182 328 D HN 0.230 nan 8.370 nan 0.000 0.451 329 L N 0.968 122.184 121.223 -0.012 0.000 2.319 329 L HA 0.639 4.994 4.340 0.025 0.000 0.267 329 L C 1.156 178.020 176.870 -0.010 0.000 1.011 329 L CA -1.108 53.726 54.840 -0.010 0.000 0.818 329 L CB 1.829 43.883 42.059 -0.010 0.000 1.316 329 L HN 0.303 nan 8.230 nan 0.000 0.432 330 G N -0.098 108.697 108.800 -0.009 0.000 2.535 330 G HA2 0.389 4.364 3.960 0.025 0.000 0.303 330 G HA3 0.389 4.364 3.960 0.025 0.000 0.303 330 G C -1.696 173.200 174.900 -0.008 0.000 1.237 330 G CA -0.894 44.201 45.100 -0.009 0.000 0.986 330 G HN 0.497 nan 8.290 nan 0.000 0.494 331 P HA -0.072 nan 4.420 nan 0.000 0.219 331 P C 0.783 178.079 177.300 -0.007 0.000 1.146 331 P CA 1.209 64.305 63.100 -0.007 0.000 0.808 331 P CB 0.291 31.987 31.700 -0.006 0.000 0.779 332 K N -1.148 119.248 120.400 -0.007 0.000 2.397 332 K HA 0.326 4.661 4.320 0.025 0.000 0.202 332 K C 1.142 177.737 176.600 -0.007 0.000 1.022 332 K CA 0.494 56.777 56.287 -0.007 0.000 1.141 332 K CB 0.055 32.551 32.500 -0.006 0.000 0.857 332 K HN 0.125 nan 8.250 nan 0.000 0.514 333 G N 2.528 111.323 108.800 -0.008 0.000 2.175 333 G HA2 -0.269 3.707 3.960 0.025 0.000 0.244 333 G HA3 -0.269 3.707 3.960 0.025 0.000 0.244 333 G C -0.067 174.828 174.900 -0.008 0.000 0.982 333 G CA 0.183 45.278 45.100 -0.008 0.000 0.641 333 G HN 0.461 nan 8.290 nan 0.000 0.527 334 E N 1.012 121.207 120.200 -0.008 0.000 2.398 334 E HA 0.379 4.745 4.350 0.025 0.000 0.263 334 E C 0.171 176.766 176.600 -0.007 0.000 1.046 334 E CA -0.377 56.019 56.400 -0.007 0.000 0.908 334 E CB 1.636 31.331 29.700 -0.009 0.000 0.963 334 E HN 0.309 nan 8.360 nan 0.000 0.431 335 V N 3.945 123.855 119.914 -0.005 0.000 2.488 335 V HA 0.073 4.208 4.120 0.025 0.000 0.277 335 V C 0.698 176.788 176.094 -0.006 0.000 1.046 335 V CA -0.373 61.923 62.300 -0.006 0.000 0.986 335 V CB 0.397 32.219 31.823 -0.003 0.000 0.989 335 V HN 0.511 nan 8.190 nan 0.000 0.475 336 L N 6.484 127.701 121.223 -0.010 0.000 2.380 336 L HA 0.552 4.907 4.340 0.025 0.000 0.273 336 L C -0.067 176.796 176.870 -0.012 0.000 1.138 336 L CA -0.101 54.732 54.840 -0.011 0.000 0.832 336 L CB 1.131 43.182 42.059 -0.013 0.000 1.124 336 L HN 0.625 nan 8.230 nan 0.000 0.454 337 V N -0.593 119.316 119.914 -0.009 0.000 3.114 337 V HA 0.580 4.715 4.120 0.025 0.000 0.308 337 V C -0.525 175.564 176.094 -0.008 0.000 1.168 337 V CA -1.139 61.158 62.300 -0.005 0.000 1.015 337 V CB 1.828 33.664 31.823 0.021 0.000 1.050 337 V HN 0.823 nan 8.190 nan 0.000 0.433 338 N N 1.134 119.835 118.700 0.002 0.000 2.443 338 N HA 0.200 4.955 4.740 0.025 0.000 0.294 338 N C 0.775 176.244 175.510 -0.069 0.000 1.289 338 N CA -0.001 53.040 53.050 -0.014 0.000 0.966 338 N CB -0.065 38.452 38.487 0.050 0.000 1.122 338 N HN 0.904 nan 8.380 nan 0.000 0.569 339 E N -1.726 118.339 120.200 -0.226 0.000 2.516 339 E HA -0.142 4.223 4.350 0.025 0.000 0.199 339 E C -0.084 176.302 176.600 -0.358 0.000 1.069 339 E CA 0.787 56.987 56.400 -0.335 0.000 0.876 339 E CB -0.539 28.897 29.700 -0.440 0.000 0.843 339 E HN 0.640 nan 8.360 nan 0.000 0.530 340 Y N 0.439 120.816 120.300 0.129 0.000 2.555 340 Y HA 0.240 4.805 4.550 0.025 0.000 0.259 340 Y C 0.412 176.470 175.900 0.263 0.000 1.179 340 Y CA -0.629 57.589 58.100 0.198 0.000 1.230 340 Y CB 0.627 39.188 38.460 0.167 0.000 1.146 340 Y HN -0.101 nan 8.280 nan 0.000 0.526 341 L N -0.499 120.881 121.223 0.261 0.000 4.291 341 L HA -0.320 4.035 4.340 0.025 0.000 0.413 341 L C -0.257 176.719 176.870 0.177 0.000 1.162 341 L CA 0.819 55.814 54.840 0.258 0.000 0.961 341 L CB -2.544 39.730 42.059 0.358 0.000 2.095 341 L HN 0.446 nan 8.230 nan 0.000 0.838 342 Q N 0.256 120.057 119.800 0.001 0.000 2.267 342 Q HA 0.471 4.826 4.340 0.025 0.000 0.255 342 Q C 1.158 177.066 176.000 -0.153 0.000 0.923 342 Q CA 0.334 55.951 55.803 -0.310 0.000 0.925 342 Q CB 1.543 30.098 28.738 -0.305 0.000 1.195 342 Q HN 0.438 nan 8.270 nan 0.000 0.417 343 T N -1.877 112.572 114.554 -0.175 0.000 2.771 343 T HA 0.073 4.439 4.350 0.025 0.000 0.290 343 T C 1.352 175.999 174.700 -0.087 0.000 1.005 343 T CA -0.113 61.932 62.100 -0.092 0.000 0.944 343 T CB 0.674 69.497 68.868 -0.074 0.000 1.147 343 T HN 0.619 nan 8.240 nan 0.000 0.534 344 S N -1.188 114.477 115.700 -0.057 0.000 2.555 344 S HA 0.112 4.597 4.470 0.025 0.000 0.230 344 S C 0.562 175.131 174.600 -0.052 0.000 0.978 344 S CA -0.377 57.796 58.200 -0.045 0.000 0.934 344 S CB -0.530 62.652 63.200 -0.030 0.000 0.766 344 S HN 0.559 nan 8.310 nan 0.000 0.533 345 V N 3.447 123.320 119.914 -0.068 0.000 2.427 345 V HA 0.407 4.542 4.120 0.025 0.000 0.286 345 V C -2.472 173.565 176.094 -0.095 0.000 1.034 345 V CA -2.329 59.930 62.300 -0.069 0.000 0.893 345 V CB 1.074 32.858 31.823 -0.066 0.000 0.982 345 V HN 0.129 nan 8.190 nan 0.000 0.452 346 P HA 0.058 nan 4.420 nan 0.000 0.262 346 P C 0.423 177.665 177.300 -0.097 0.000 1.182 346 P CA 0.477 63.539 63.100 -0.064 0.000 0.761 346 P CB 0.084 31.780 31.700 -0.006 0.000 0.795 347 N N -0.436 118.208 118.700 -0.092 0.000 2.741 347 N HA -0.138 4.617 4.740 0.025 0.000 0.251 347 N C -0.888 174.586 175.510 -0.060 0.000 1.112 347 N CA 0.697 53.723 53.050 -0.040 0.000 0.750 347 N CB -1.307 37.178 38.487 -0.002 0.000 1.119 347 N HN 0.174 nan 8.380 nan 0.000 0.561 348 V N 1.550 121.376 119.914 -0.147 0.000 2.444 348 V HA 0.440 4.576 4.120 0.025 0.000 0.294 348 V C -0.221 175.791 176.094 -0.138 0.000 1.022 348 V CA -0.632 61.620 62.300 -0.079 0.000 0.850 348 V CB 1.270 33.035 31.823 -0.096 0.000 0.992 348 V HN 0.039 nan 8.190 nan 0.000 0.426 349 Y N 2.269 122.528 120.300 -0.068 0.000 2.534 349 Y HA 0.843 5.407 4.550 0.024 0.000 0.329 349 Y C 0.438 176.318 175.900 -0.033 0.000 1.154 349 Y CA -0.842 57.238 58.100 -0.033 0.000 1.192 349 Y CB 1.968 40.409 38.460 -0.033 0.000 1.275 349 Y HN 0.689 nan 8.280 nan 0.000 0.491 350 A N 1.200 124.112 122.820 0.153 0.000 2.422 350 A HA 0.867 5.202 4.320 0.025 0.000 0.302 350 A C -1.216 176.433 177.584 0.108 0.000 1.041 350 A CA -0.558 51.533 52.037 0.091 0.000 0.708 350 A CB 0.993 20.020 19.000 0.045 0.000 1.257 350 A HN 0.853 nan 8.150 nan 0.000 0.414 351 V N -0.808 119.160 119.914 0.090 0.000 3.182 351 V HA 1.008 5.143 4.120 0.025 0.000 0.308 351 V C 0.692 176.820 176.094 0.055 0.000 1.240 351 V CA -0.021 62.331 62.300 0.088 0.000 1.063 351 V CB 0.726 32.617 31.823 0.113 0.000 1.076 351 V HN 2.848 nan 8.190 nan 0.000 0.446 352 G N 0.887 109.706 108.800 0.032 0.000 2.552 352 G HA2 -0.242 3.733 3.960 0.025 0.000 0.265 352 G HA3 -0.242 3.733 3.960 0.025 0.000 0.265 352 G C 0.150 175.039 174.900 -0.019 0.000 1.234 352 G CA 0.842 45.940 45.100 -0.004 0.000 0.944 352 G HN 1.075 nan 8.290 nan 0.000 0.568 353 D N -0.155 120.234 120.400 -0.019 0.000 2.263 353 D HA -0.005 4.650 4.640 0.025 0.000 0.208 353 D C 2.451 178.747 176.300 -0.007 0.000 0.971 353 D CA 1.069 55.056 54.000 -0.021 0.000 0.867 353 D CB -0.098 40.697 40.800 -0.007 0.000 0.929 353 D HN 0.359 nan 8.370 nan 0.000 0.492 354 L N 0.911 122.137 121.223 0.005 0.000 2.191 354 L HA -0.055 4.300 4.340 0.025 0.000 0.212 354 L C 1.704 178.576 176.870 0.003 0.000 1.103 354 L CA 1.218 56.062 54.840 0.007 0.000 0.769 354 L CB -0.304 41.764 42.059 0.015 0.000 0.908 354 L HN 0.141 nan 8.230 nan 0.000 0.438 355 I N -3.385 117.187 120.570 0.003 0.000 3.861 355 I HA 0.537 4.722 4.170 0.025 0.000 0.329 355 I C 0.936 177.046 176.117 -0.013 0.000 1.321 355 I CA 0.126 61.426 61.300 0.000 0.000 1.126 355 I CB -0.795 37.212 38.000 0.013 0.000 1.018 355 I HN 0.216 nan 8.210 nan 0.000 0.407 356 G N 0.943 109.732 108.800 -0.018 0.000 2.548 356 G HA2 -0.064 3.912 3.960 0.025 0.000 0.208 356 G HA3 -0.064 3.912 3.960 0.025 0.000 0.208 356 G C 0.013 174.889 174.900 -0.040 0.000 1.308 356 G CA -0.565 44.521 45.100 -0.024 0.000 0.924 356 G HN 0.714 nan 8.290 nan 0.000 0.540 357 G N 0.629 109.410 108.800 -0.033 0.000 2.572 357 G HA2 0.675 4.650 3.960 0.025 0.000 0.261 357 G HA3 0.675 4.650 3.960 0.025 0.000 0.261 357 G C -1.515 173.354 174.900 -0.051 0.000 1.197 357 G CA 0.066 45.140 45.100 -0.042 0.000 0.870 357 G HN 0.775 nan 8.290 nan 0.000 0.548 358 P HA 0.178 nan 4.420 nan 0.000 0.276 358 P C -0.461 176.711 177.300 -0.214 0.000 1.230 358 P CA -0.117 62.909 63.100 -0.123 0.000 0.776 358 P CB 1.037 32.623 31.700 -0.192 0.000 0.888 359 M N 3.110 122.618 119.600 -0.154 0.000 2.664 359 M HA 0.192 4.687 4.480 0.025 0.000 0.332 359 M C 0.211 176.389 176.300 -0.204 0.000 1.354 359 M CA 0.256 55.461 55.300 -0.159 0.000 1.399 359 M CB 0.186 32.733 32.600 -0.089 0.000 1.224 359 M HN 0.234 nan 8.290 nan 0.000 0.479 360 E N 1.373 121.358 120.200 -0.358 0.000 2.416 360 E HA 0.374 4.739 4.350 0.025 0.000 0.273 360 E C 0.383 176.742 176.600 -0.401 0.000 0.935 360 E CA -0.662 55.507 56.400 -0.385 0.000 0.784 360 E CB 1.613 30.945 29.700 -0.614 0.000 1.301 360 E HN 0.446 nan 8.360 nan 0.000 0.454 361 M N 0.420 119.891 119.600 -0.216 0.000 2.159 361 M HA -0.069 4.426 4.480 0.025 0.000 0.263 361 M C 2.093 178.256 176.300 -0.227 0.000 1.063 361 M CA 1.469 56.667 55.300 -0.169 0.000 1.110 361 M CB -1.024 31.538 32.600 -0.063 0.000 1.374 361 M HN 0.570 nan 8.290 nan 0.000 0.411 362 F N 0.635 120.508 119.950 -0.127 0.000 2.171 362 F HA -0.098 4.444 4.527 0.026 0.000 0.300 362 F C 2.179 177.898 175.800 -0.134 0.000 1.090 362 F CA 1.239 59.153 58.000 -0.145 0.000 1.293 362 F CB -1.059 37.879 39.000 -0.103 0.000 1.013 362 F HN -0.049 nan 8.300 nan 0.000 0.486 363 K N 1.571 121.388 120.400 -0.971 0.000 2.025 363 K HA -0.016 4.319 4.320 0.025 0.000 0.207 363 K C 2.301 178.760 176.600 -0.235 0.000 1.049 363 K CA 1.352 57.331 56.287 -0.514 0.000 0.933 363 K CB -0.841 31.231 32.500 -0.713 0.000 0.714 363 K HN 0.399 nan 8.250 nan 0.000 0.438 364 A N 1.521 124.185 122.820 -0.259 0.000 1.858 364 A HA -0.179 4.156 4.320 0.025 0.000 0.216 364 A C 2.292 179.803 177.584 -0.120 0.000 1.190 364 A CA 1.720 53.674 52.037 -0.139 0.000 0.617 364 A CB -0.485 18.447 19.000 -0.114 0.000 0.827 364 A HN 0.363 nan 8.150 nan 0.000 0.443 365 R N -0.299 120.075 120.500 -0.210 0.000 2.073 365 R HA -0.099 4.256 4.340 0.025 0.000 0.234 365 R C 2.298 178.516 176.300 -0.136 0.000 1.134 365 R CA 1.730 57.673 56.100 -0.261 0.000 0.952 365 R CB -0.301 29.565 30.300 -0.724 0.000 0.850 365 R HN 0.505 nan 8.270 nan 0.000 0.433 366 K N 0.372 120.652 120.400 -0.200 0.000 2.057 366 K HA -0.094 4.241 4.320 0.025 0.000 0.206 366 K C 2.353 178.688 176.600 -0.441 0.000 1.050 366 K CA 1.719 57.825 56.287 -0.303 0.000 0.935 366 K CB -0.099 32.108 32.500 -0.490 0.000 0.715 366 K HN 0.197 nan 8.250 nan 0.000 0.439 367 S N 0.533 115.988 115.700 -0.408 0.000 2.382 367 S HA -0.113 4.372 4.470 0.025 0.000 0.228 367 S C 2.280 176.882 174.600 0.002 0.000 1.027 367 S CA 1.152 59.233 58.200 -0.197 0.000 0.991 367 S CB -0.915 62.310 63.200 0.042 0.000 0.823 367 S HN 0.382 nan 8.310 nan 0.000 0.469 368 G N 0.641 109.464 108.800 0.039 0.000 2.418 368 G HA2 -0.200 3.775 3.960 0.025 0.000 0.217 368 G HA3 -0.200 3.775 3.960 0.025 0.000 0.217 368 G C 1.553 176.544 174.900 0.150 0.000 1.158 368 G CA 1.085 46.275 45.100 0.150 0.000 0.771 368 G HN 0.638 nan 8.290 nan 0.000 0.545 369 C N -0.641 118.709 119.300 0.082 0.000 2.440 369 C HA 0.063 4.538 4.460 0.025 0.000 0.278 369 C C 2.457 177.368 174.990 -0.132 0.000 1.295 369 C CA 0.279 59.258 59.018 -0.065 0.000 1.738 369 C CB -1.102 26.494 27.740 -0.241 0.000 1.987 369 C HN 0.508 nan 8.230 nan 0.000 0.492 370 Y N 1.607 121.762 120.300 -0.241 0.000 2.242 370 Y HA -0.059 4.506 4.550 0.025 0.000 0.291 370 Y C 2.636 178.498 175.900 -0.064 0.000 1.137 370 Y CA 1.175 59.181 58.100 -0.156 0.000 1.181 370 Y CB -1.036 37.349 38.460 -0.125 0.000 0.989 370 Y HN 0.277 nan 8.280 nan 0.000 0.527 371 A N -0.047 122.832 122.820 0.099 0.000 1.902 371 A HA -0.105 4.231 4.320 0.025 0.000 0.217 371 A C 2.486 179.920 177.584 -0.250 0.000 1.181 371 A CA 1.750 53.737 52.037 -0.083 0.000 0.623 371 A CB -1.199 17.763 19.000 -0.063 0.000 0.818 371 A HN 0.375 nan 8.150 nan 0.000 0.443 372 A N -0.027 122.754 122.820 -0.065 0.000 1.908 372 A HA -0.192 4.143 4.320 0.025 0.000 0.218 372 A C 2.238 179.815 177.584 -0.012 0.000 1.181 372 A CA 1.659 53.702 52.037 0.010 0.000 0.627 372 A CB -0.467 18.653 19.000 0.199 0.000 0.818 372 A HN 0.567 nan 8.150 nan 0.000 0.445 373 R N -0.491 119.987 120.500 -0.036 0.000 2.092 373 R HA -0.114 4.242 4.340 0.025 0.000 0.231 373 R C 1.966 178.257 176.300 -0.014 0.000 1.119 373 R CA 1.652 57.740 56.100 -0.019 0.000 0.970 373 R CB -0.430 29.794 30.300 -0.127 0.000 0.864 373 R HN 0.646 nan 8.270 nan 0.000 0.440 374 N N -0.104 118.582 118.700 -0.023 0.000 2.142 374 N HA -0.121 4.634 4.740 0.025 0.000 0.186 374 N C 1.626 177.128 175.510 -0.013 0.000 1.023 374 N CA 0.955 54.024 53.050 0.032 0.000 0.852 374 N CB -0.015 38.578 38.487 0.177 0.000 0.998 374 N HN -0.064 nan 8.380 nan 0.000 0.424 375 V N 0.729 120.543 119.914 -0.168 0.000 2.490 375 V HA -0.141 3.994 4.120 0.025 0.000 0.250 375 V C 1.554 177.638 176.094 -0.016 0.000 1.061 375 V CA 1.183 63.407 62.300 -0.127 0.000 1.064 375 V CB -0.311 31.368 31.823 -0.241 0.000 0.670 375 V HN 0.425 nan 8.190 nan 0.000 0.461 376 M N -0.411 119.187 119.600 -0.003 0.000 2.568 376 M HA 0.268 4.764 4.480 0.025 0.000 0.226 376 M C 1.635 177.950 176.300 0.025 0.000 1.148 376 M CA 0.878 56.193 55.300 0.025 0.000 1.007 376 M CB -0.735 31.891 32.600 0.045 0.000 1.651 376 M HN 0.510 nan 8.290 nan 0.000 0.488 377 G N 0.951 109.766 108.800 0.024 0.000 2.175 377 G HA2 -0.244 3.731 3.960 0.025 0.000 0.244 377 G HA3 -0.244 3.731 3.960 0.025 0.000 0.244 377 G C 0.106 175.016 174.900 0.017 0.000 0.982 377 G CA 0.256 45.369 45.100 0.021 0.000 0.641 377 G HN 0.533 nan 8.290 nan 0.000 0.527 378 E N 0.898 121.111 120.200 0.020 0.000 2.014 378 E HA 0.429 4.794 4.350 0.025 0.000 0.275 378 E C 0.460 177.077 176.600 0.028 0.000 0.997 378 E CA -0.744 55.668 56.400 0.020 0.000 0.804 378 E CB 0.188 29.899 29.700 0.017 0.000 1.090 378 E HN 0.294 nan 8.360 nan 0.000 0.401 379 K N 5.807 126.221 120.400 0.022 0.000 2.382 379 K HA 0.140 4.476 4.320 0.025 0.000 0.286 379 K C -0.808 175.872 176.600 0.134 0.000 1.062 379 K CA 0.113 56.418 56.287 0.030 0.000 1.000 379 K CB 0.279 32.754 32.500 -0.042 0.000 0.954 379 K HN 0.610 nan 8.250 nan 0.000 0.470 380 I N 3.479 124.202 120.570 0.254 0.000 2.644 380 I HA 0.162 4.347 4.170 0.025 0.000 0.291 380 I C -0.912 175.488 176.117 0.471 0.000 1.180 380 I CA -0.384 61.086 61.300 0.283 0.000 1.040 380 I CB 2.037 40.073 38.000 0.061 0.000 1.255 380 I HN 0.800 nan 8.210 nan 0.000 0.422 381 S N 6.033 121.964 115.700 0.385 0.000 2.616 381 S HA 0.572 5.057 4.470 0.025 0.000 0.277 381 S C -1.030 173.773 174.600 0.338 0.000 1.234 381 S CA -0.409 57.909 58.200 0.196 0.000 1.028 381 S CB 1.754 64.919 63.200 -0.058 0.000 0.988 381 S HN 0.573 nan 8.310 nan 0.000 0.522 382 Y N 1.342 121.642 120.300 -0.001 0.000 2.331 382 Y HA 0.501 5.066 4.550 0.025 0.000 0.326 382 Y C -0.905 174.921 175.900 -0.125 0.000 1.020 382 Y CA -0.695 57.310 58.100 -0.157 0.000 1.136 382 Y CB 1.732 39.947 38.460 -0.407 0.000 1.157 382 Y HN 1.010 nan 8.280 nan 0.000 0.444 383 T N 4.643 118.867 114.554 -0.550 0.000 3.089 383 T HA 0.463 4.829 4.350 0.025 0.000 0.340 383 T C -3.035 171.367 174.700 -0.497 0.000 1.008 383 T CA -1.905 59.907 62.100 -0.480 0.000 1.096 383 T CB 1.001 69.744 68.868 -0.209 0.000 1.024 383 T HN 0.378 nan 8.240 nan 0.000 0.477 384 P HA 0.313 nan 4.420 nan 0.000 0.260 384 P C -0.489 176.878 177.300 0.112 0.000 1.185 384 P CA 0.060 63.044 63.100 -0.194 0.000 0.763 384 P CB 0.331 31.960 31.700 -0.117 0.000 0.776 385 K N 2.778 123.299 120.400 0.203 0.000 2.572 385 K HA 0.225 4.560 4.320 0.025 0.000 0.263 385 K C -0.916 175.692 176.600 0.013 0.000 0.932 385 K CA -0.676 55.665 56.287 0.091 0.000 0.838 385 K CB 1.022 33.525 32.500 0.005 0.000 1.366 385 K HN 0.271 nan 8.250 nan 0.000 0.425 386 N N 2.174 120.761 118.700 -0.188 0.000 2.696 386 N HA -0.230 4.526 4.740 0.025 0.000 0.256 386 N C -1.405 174.012 175.510 -0.156 0.000 1.031 386 N CA 1.381 54.311 53.050 -0.200 0.000 0.730 386 N CB -1.483 36.950 38.487 -0.090 0.000 0.894 386 N HN 0.499 nan 8.380 nan 0.000 0.544 387 Y N -1.313 118.948 120.300 -0.065 0.000 2.457 387 Y HA 0.846 5.412 4.550 0.026 0.000 0.333 387 Y C -2.182 173.650 175.900 -0.113 0.000 1.119 387 Y CA -2.687 55.302 58.100 -0.185 0.000 1.143 387 Y CB 0.362 38.593 38.460 -0.383 0.000 1.230 387 Y HN -0.067 nan 8.280 nan 0.000 0.469 388 P HA 0.283 nan 4.420 nan 0.000 0.276 388 P C -1.164 176.211 177.300 0.126 0.000 1.261 388 P CA 0.095 63.240 63.100 0.074 0.000 0.800 388 P CB 1.715 33.453 31.700 0.065 0.000 1.066 389 D N -1.018 119.348 120.400 -0.057 0.000 2.596 389 D HA 0.670 5.325 4.640 0.025 0.000 0.262 389 D C -1.503 174.404 176.300 -0.656 0.000 1.210 389 D CA -0.290 53.593 54.000 -0.195 0.000 0.873 389 D CB 1.630 42.409 40.800 -0.035 0.000 1.408 389 D HN 0.356 nan 8.370 nan 0.000 0.441 390 F N 0.050 119.633 119.950 -0.611 0.000 2.807 390 F HA 0.724 5.266 4.527 0.025 0.000 0.316 390 F C -2.429 173.283 175.800 -0.146 0.000 1.162 390 F CA -1.054 56.620 58.000 -0.543 0.000 0.910 390 F CB 0.475 39.243 39.000 -0.387 0.000 1.314 390 F HN 0.346 nan 8.300 nan 0.000 0.454 391 L N -0.367 120.759 121.223 -0.162 0.000 2.671 391 L HA 0.660 5.015 4.340 0.025 0.000 0.259 391 L C -1.893 175.017 176.870 0.068 0.000 1.021 391 L CA -0.810 53.920 54.840 -0.182 0.000 0.871 391 L CB 1.911 43.982 42.059 0.020 0.000 1.472 391 L HN 0.799 nan 8.230 nan 0.000 0.410 392 H N -0.072 119.112 119.070 0.190 0.000 2.492 392 H HA 0.737 5.308 4.556 0.025 0.000 0.345 392 H C -0.504 174.891 175.328 0.111 0.000 1.136 392 H CA 0.214 56.383 56.048 0.202 0.000 1.202 392 H CB 2.271 32.148 29.762 0.193 0.000 1.524 392 H HN 1.009 nan 8.280 nan 0.000 0.506 393 T N -1.479 113.225 114.554 0.251 0.000 1.594 393 T HA 0.094 4.460 4.350 0.025 0.000 0.179 393 T C 0.983 175.681 174.700 -0.003 0.000 0.686 393 T CA -0.324 61.838 62.100 0.102 0.000 1.183 393 T CB 0.547 69.535 68.868 0.200 0.000 3.378 393 T HN 0.626 nan 8.240 nan 0.000 0.412 394 H N -0.453 118.716 119.070 0.166 0.000 2.575 394 H HA 0.381 4.952 4.556 0.026 0.000 0.267 394 H C -0.360 174.997 175.328 0.050 0.000 0.966 394 H CA 0.097 56.180 56.048 0.058 0.000 1.165 394 H CB 0.369 30.086 29.762 -0.075 0.000 1.433 394 H HN 0.368 nan 8.280 nan 0.000 0.544 395 Y N 0.820 121.279 120.300 0.265 0.000 2.659 395 Y HA 0.280 4.845 4.550 0.025 0.000 0.333 395 Y C 0.298 176.274 175.900 0.126 0.000 1.064 395 Y CA -1.048 57.087 58.100 0.058 0.000 1.141 395 Y CB 1.498 39.912 38.460 -0.077 0.000 1.316 395 Y HN -0.137 nan 8.280 nan 0.000 0.509 396 E N 0.810 121.116 120.200 0.177 0.000 2.174 396 E HA 0.485 4.850 4.350 0.025 0.000 0.282 396 E C -1.484 175.185 176.600 0.115 0.000 0.992 396 E CA -0.535 55.955 56.400 0.149 0.000 0.803 396 E CB 1.534 31.302 29.700 0.114 0.000 1.090 396 E HN 0.210 nan 8.360 nan 0.000 0.396 397 V N 3.071 123.073 119.914 0.147 0.000 2.378 397 V HA 0.293 4.428 4.120 0.025 0.000 0.288 397 V C -0.447 175.726 176.094 0.132 0.000 1.016 397 V CA -0.611 61.806 62.300 0.196 0.000 0.840 397 V CB 1.552 33.554 31.823 0.298 0.000 0.994 397 V HN 0.588 nan 8.190 nan 0.000 0.431 398 S N 5.450 121.122 115.700 -0.047 0.000 2.503 398 S HA 0.940 5.425 4.470 0.025 0.000 0.301 398 S C -0.774 173.686 174.600 -0.233 0.000 1.087 398 S CA -0.525 57.363 58.200 -0.520 0.000 1.042 398 S CB 1.448 63.860 63.200 -1.313 0.000 1.043 398 S HN 0.652 nan 8.310 nan 0.000 0.489 399 F N 0.658 120.606 119.950 -0.004 0.000 2.665 399 F HA 0.837 5.379 4.527 0.025 0.000 0.308 399 F C -1.507 174.462 175.800 0.282 0.000 1.112 399 F CA -1.453 56.702 58.000 0.258 0.000 0.972 399 F CB 0.750 39.925 39.000 0.293 0.000 1.295 399 F HN 0.479 nan 8.300 nan 0.000 0.440 400 L N 0.160 121.576 121.223 0.321 0.000 2.622 400 L HA 1.063 5.418 4.340 0.025 0.000 0.258 400 L C 0.056 176.927 176.870 0.001 0.000 0.996 400 L CA -0.144 54.775 54.840 0.133 0.000 0.858 400 L CB 1.377 43.465 42.059 0.048 0.000 1.449 400 L HN 1.824 nan 8.230 nan 0.000 0.411 401 G N 0.583 109.376 108.800 -0.012 0.000 2.569 401 G HA2 -0.179 3.796 3.960 0.025 0.000 0.259 401 G HA3 -0.179 3.796 3.960 0.025 0.000 0.259 401 G C -0.290 174.636 174.900 0.043 0.000 1.263 401 G CA 0.184 45.264 45.100 -0.033 0.000 0.928 401 G HN 0.913 nan 8.290 nan 0.000 0.572 402 M N 1.282 120.902 119.600 0.034 0.000 2.314 402 M HA 0.530 5.025 4.480 0.025 0.000 0.342 402 M C 1.192 177.615 176.300 0.206 0.000 1.171 402 M CA 0.173 55.519 55.300 0.078 0.000 1.098 402 M CB 1.369 33.963 32.600 -0.010 0.000 1.559 402 M HN 0.945 nan 8.290 nan 0.000 0.459 403 G N 0.408 109.279 108.800 0.119 0.000 2.562 403 G HA2 0.124 4.099 3.960 0.025 0.000 0.275 403 G HA3 0.124 4.099 3.960 0.025 0.000 0.275 403 G C 0.415 175.310 174.900 -0.007 0.000 1.196 403 G CA -0.336 44.751 45.100 -0.021 0.000 0.908 403 G HN 0.941 nan 8.290 nan 0.000 0.524 404 E N -0.325 119.846 120.200 -0.049 0.000 2.023 404 E HA -0.179 4.186 4.350 0.025 0.000 0.196 404 E C 2.211 178.807 176.600 -0.006 0.000 1.003 404 E CA 1.736 58.130 56.400 -0.011 0.000 0.809 404 E CB 0.038 29.734 29.700 -0.006 0.000 0.755 404 E HN 0.592 nan 8.360 nan 0.000 0.449 405 E N 0.628 120.817 120.200 -0.018 0.000 2.077 405 E HA -0.222 4.143 4.350 0.025 0.000 0.193 405 E C 1.896 178.498 176.600 0.003 0.000 0.989 405 E CA 1.398 57.793 56.400 -0.008 0.000 0.800 405 E CB -0.183 29.506 29.700 -0.019 0.000 0.746 405 E HN 0.369 nan 8.360 nan 0.000 0.452 406 E N 0.470 120.669 120.200 -0.002 0.000 2.085 406 E HA -0.248 4.117 4.350 0.025 0.000 0.194 406 E C 1.969 178.588 176.600 0.033 0.000 0.994 406 E CA 1.190 57.597 56.400 0.011 0.000 0.801 406 E CB -0.130 29.574 29.700 0.007 0.000 0.743 406 E HN 0.258 nan 8.360 nan 0.000 0.453 407 A N 1.358 124.192 122.820 0.023 0.000 1.902 407 A HA -0.166 4.170 4.320 0.025 0.000 0.217 407 A C 2.209 179.864 177.584 0.118 0.000 1.181 407 A CA 1.478 53.534 52.037 0.031 0.000 0.623 407 A CB -0.457 18.517 19.000 -0.044 0.000 0.818 407 A HN 0.200 nan 8.150 nan 0.000 0.443 408 R N -0.656 119.887 120.500 0.071 0.000 2.092 408 R HA -0.041 4.314 4.340 0.025 0.000 0.231 408 R C 2.361 178.696 176.300 0.058 0.000 1.119 408 R CA 1.107 57.248 56.100 0.068 0.000 0.970 408 R CB -0.423 29.900 30.300 0.038 0.000 0.864 408 R HN 0.507 nan 8.270 nan 0.000 0.440 409 A N 1.063 123.912 122.820 0.047 0.000 2.067 409 A HA 0.014 4.349 4.320 0.025 0.000 0.219 409 A C 2.109 179.718 177.584 0.043 0.000 1.158 409 A CA 1.343 53.400 52.037 0.033 0.000 0.661 409 A CB -0.210 18.803 19.000 0.022 0.000 0.801 409 A HN 0.349 nan 8.150 nan 0.000 0.452 410 A N -1.801 121.071 122.820 0.088 0.000 2.238 410 A HA 0.411 4.747 4.320 0.025 0.000 0.208 410 A C 1.758 179.358 177.584 0.027 0.000 1.177 410 A CA 1.189 53.290 52.037 0.107 0.000 0.804 410 A CB -0.810 18.332 19.000 0.237 0.000 0.823 410 A HN 1.771 nan 8.150 nan 0.000 0.482 411 G N -1.500 107.310 108.800 0.016 0.000 2.175 411 G HA2 -0.235 3.741 3.960 0.025 0.000 0.244 411 G HA3 -0.235 3.741 3.960 0.025 0.000 0.244 411 G C 0.010 174.848 174.900 -0.105 0.000 0.982 411 G CA 0.315 45.375 45.100 -0.066 0.000 0.641 411 G HN 0.723 nan 8.290 nan 0.000 0.527 412 H N 0.793 119.861 119.070 -0.003 0.000 2.652 412 H HA 0.520 5.091 4.556 0.025 0.000 0.349 412 H C 0.414 175.740 175.328 -0.003 0.000 1.099 412 H CA 0.349 56.395 56.048 -0.004 0.000 1.417 412 H CB 1.062 30.821 29.762 -0.004 0.000 1.457 412 H HN 0.403 nan 8.280 nan 0.000 0.568 413 E N 4.136 124.401 120.200 0.109 0.000 2.200 413 E HA 0.341 4.706 4.350 0.025 0.000 0.283 413 E C -0.631 176.012 176.600 0.071 0.000 1.015 413 E CA -0.503 55.935 56.400 0.063 0.000 0.819 413 E CB 0.466 30.186 29.700 0.035 0.000 1.081 413 E HN 0.607 nan 8.360 nan 0.000 0.397 414 I N 1.288 121.889 120.570 0.050 0.000 3.239 414 I HA 0.745 4.930 4.170 0.025 0.000 0.314 414 I C -0.900 175.228 176.117 0.019 0.000 1.126 414 I CA -1.194 60.125 61.300 0.032 0.000 0.973 414 I CB 1.959 39.972 38.000 0.022 0.000 1.252 414 I HN 0.327 nan 8.210 nan 0.000 0.463 415 V N -0.828 119.091 119.914 0.008 0.000 3.114 415 V HA 0.906 5.041 4.120 0.025 0.000 0.308 415 V C -0.435 175.659 176.094 -0.000 0.000 1.168 415 V CA -0.119 62.185 62.300 0.007 0.000 1.015 415 V CB 1.328 33.154 31.823 0.004 0.000 1.050 415 V HN 1.100 nan 8.190 nan 0.000 0.433 416 T N -0.452 114.105 114.554 0.005 0.000 2.906 416 T HA 0.833 5.198 4.350 0.025 0.000 0.295 416 T C -0.882 173.820 174.700 0.004 0.000 1.075 416 T CA -0.634 61.466 62.100 0.001 0.000 1.005 416 T CB 1.954 70.834 68.868 0.020 0.000 1.136 416 T HN 0.829 nan 8.240 nan 0.000 0.498 417 I N 2.184 122.752 120.570 -0.004 0.000 2.447 417 I HA 0.513 4.698 4.170 0.025 0.000 0.287 417 I C -0.259 175.876 176.117 0.030 0.000 1.023 417 I CA -0.824 60.488 61.300 0.020 0.000 1.083 417 I CB 1.771 39.789 38.000 0.030 0.000 1.245 417 I HN 0.849 nan 8.210 nan 0.000 0.434 418 K N 5.832 126.243 120.400 0.019 0.000 2.430 418 K HA 0.802 5.138 4.320 0.025 0.000 0.268 418 K C -1.531 175.042 176.600 -0.044 0.000 1.043 418 K CA -1.063 55.193 56.287 -0.051 0.000 0.899 418 K CB 2.684 35.096 32.500 -0.148 0.000 1.472 418 K HN 0.250 nan 8.250 nan 0.000 0.451 419 M N 1.521 121.026 119.600 -0.158 0.000 2.322 419 M HA 0.388 4.883 4.480 0.025 0.000 0.286 419 M C -2.855 173.347 176.300 -0.163 0.000 1.111 419 M CA -2.191 53.066 55.300 -0.072 0.000 0.941 419 M CB 2.082 34.711 32.600 0.049 0.000 1.671 419 M HN 0.607 nan 8.290 nan 0.000 0.470 420 P HA 0.426 nan 4.420 nan 0.000 0.276 420 P C -2.777 174.564 177.300 0.069 0.000 1.261 420 P CA -1.330 61.804 63.100 0.057 0.000 0.800 420 P CB -0.510 31.245 31.700 0.093 0.000 1.066 421 P HA 0.054 nan 4.420 nan 0.000 0.269 421 P C -0.131 177.212 177.300 0.073 0.000 1.215 421 P CA 0.360 63.493 63.100 0.056 0.000 0.780 421 P CB 0.127 31.852 31.700 0.040 0.000 0.898 422 D N 1.740 122.182 120.400 0.070 0.000 2.422 422 D HA 0.133 4.789 4.640 0.025 0.000 0.227 422 D C -0.237 176.092 176.300 0.049 0.000 1.190 422 D CA 0.205 54.247 54.000 0.070 0.000 0.905 422 D CB 0.099 40.940 40.800 0.069 0.000 1.034 422 D HN 0.372 nan 8.370 nan 0.000 0.507 423 T N -0.504 114.078 114.554 0.046 0.000 2.716 423 T HA 0.243 4.608 4.350 0.025 0.000 0.286 423 T C 1.113 175.831 174.700 0.029 0.000 1.052 423 T CA -0.676 61.444 62.100 0.034 0.000 1.024 423 T CB 1.462 70.349 68.868 0.031 0.000 1.349 423 T HN 0.216 nan 8.240 nan 0.000 0.525 424 E N 0.152 120.365 120.200 0.022 0.000 2.153 424 E HA -0.152 4.213 4.350 0.025 0.000 0.194 424 E C 1.505 178.116 176.600 0.018 0.000 0.988 424 E CA 1.424 57.834 56.400 0.017 0.000 0.811 424 E CB -0.300 29.407 29.700 0.013 0.000 0.746 424 E HN 0.678 nan 8.360 nan 0.000 0.466 425 N N -0.339 118.375 118.700 0.023 0.000 2.515 425 N HA 0.034 4.790 4.740 0.025 0.000 0.185 425 N C 0.971 176.504 175.510 0.037 0.000 1.109 425 N CA 0.021 53.087 53.050 0.026 0.000 0.903 425 N CB 0.304 38.808 38.487 0.028 0.000 0.969 425 N HN 0.244 nan 8.380 nan 0.000 0.450 426 G N 1.798 110.624 108.800 0.043 0.000 2.614 426 G HA2 -0.362 3.613 3.960 0.025 0.000 0.303 426 G HA3 -0.362 3.613 3.960 0.025 0.000 0.303 426 G C 0.610 175.563 174.900 0.089 0.000 1.270 426 G CA 0.234 45.370 45.100 0.060 0.000 0.988 426 G HN 0.198 nan 8.290 nan 0.000 0.551 427 L N 1.437 122.728 121.223 0.114 0.000 2.465 427 L HA 0.085 4.440 4.340 0.025 0.000 0.224 427 L C 1.353 178.324 176.870 0.168 0.000 1.145 427 L CA 0.444 55.387 54.840 0.172 0.000 0.834 427 L CB -0.370 41.839 42.059 0.250 0.000 0.944 427 L HN 0.362 nan 8.230 nan 0.000 0.451 428 N N 1.553 120.326 118.700 0.121 0.000 3.115 428 N HA 0.087 4.842 4.740 0.025 0.000 0.305 428 N C -0.343 175.215 175.510 0.080 0.000 1.305 428 N CA 0.243 53.359 53.050 0.112 0.000 1.154 428 N CB 0.091 38.618 38.487 0.067 0.000 1.454 428 N HN 0.149 nan 8.380 nan 0.000 0.551 429 V N -4.199 115.764 119.914 0.082 0.000 3.078 429 V HA 0.697 4.833 4.120 0.025 0.000 0.311 429 V C 0.649 176.766 176.094 0.038 0.000 1.138 429 V CA -1.284 61.043 62.300 0.044 0.000 1.007 429 V CB 1.528 33.376 31.823 0.041 0.000 1.045 429 V HN -0.015 nan 8.190 nan 0.000 0.432 430 A N 2.583 125.393 122.820 -0.016 0.000 2.223 430 A HA 0.574 4.909 4.320 0.025 0.000 0.222 430 A C 0.258 177.856 177.584 0.023 0.000 1.317 430 A CA 0.451 52.459 52.037 -0.049 0.000 0.985 430 A CB -1.249 17.621 19.000 -0.217 0.000 0.858 430 A HN 0.759 nan 8.150 nan 0.000 0.496 431 L N -0.160 121.098 121.223 0.058 0.000 2.424 431 L HA 0.423 4.778 4.340 0.025 0.000 0.258 431 L C -2.489 174.438 176.870 0.095 0.000 0.995 431 L CA -2.401 52.490 54.840 0.085 0.000 0.821 431 L CB 3.103 45.191 42.059 0.048 0.000 1.383 431 L HN 0.001 nan 8.230 nan 0.000 0.410 432 P HA 0.357 nan 4.420 nan 0.000 0.274 432 P C -1.409 176.043 177.300 0.252 0.000 1.256 432 P CA -0.252 62.992 63.100 0.240 0.000 0.795 432 P CB 1.554 33.371 31.700 0.194 0.000 1.038 433 A N 0.358 123.401 122.820 0.371 0.000 2.577 433 A HA 0.664 4.999 4.320 0.025 0.000 0.297 433 A C -0.531 177.171 177.584 0.196 0.000 1.060 433 A CA -0.119 52.066 52.037 0.247 0.000 0.697 433 A CB 0.778 19.903 19.000 0.209 0.000 1.281 433 A HN 0.742 nan 8.150 nan 0.000 0.402 434 S N 0.244 116.024 115.700 0.133 0.000 2.806 434 S HA 0.458 4.943 4.470 0.025 0.000 0.294 434 S C -1.549 173.089 174.600 0.064 0.000 1.239 434 S CA -0.858 57.368 58.200 0.042 0.000 1.052 434 S CB 0.094 63.306 63.200 0.020 0.000 1.332 434 S HN 0.652 nan 8.310 nan 0.000 0.516 435 D N 1.930 122.351 120.400 0.036 0.000 2.487 435 D HA 0.227 4.882 4.640 0.025 0.000 0.243 435 D C 0.438 176.801 176.300 0.104 0.000 1.154 435 D CA 0.489 54.514 54.000 0.042 0.000 0.876 435 D CB 0.107 40.920 40.800 0.021 0.000 1.161 435 D HN 0.536 nan 8.370 nan 0.000 0.478 436 R N 0.623 121.157 120.500 0.057 0.000 3.840 436 R HA -0.159 4.196 4.340 0.025 0.000 0.464 436 R C 1.023 177.428 176.300 0.175 0.000 0.986 436 R CA 1.503 57.622 56.100 0.031 0.000 1.305 436 R CB -2.749 27.505 30.300 -0.078 0.000 1.950 436 R HN 0.661 nan 8.270 nan 0.000 0.526 437 T N -4.317 110.381 114.554 0.240 0.000 3.058 437 T HA 0.268 4.633 4.350 0.025 0.000 0.278 437 T C 1.554 176.409 174.700 0.258 0.000 0.974 437 T CA -0.376 61.943 62.100 0.366 0.000 0.893 437 T CB 0.149 69.281 68.868 0.440 0.000 1.138 437 T HN -0.149 nan 8.240 nan 0.000 0.529 438 M N 1.385 121.069 119.600 0.139 0.000 2.132 438 M HA 0.213 4.709 4.480 0.025 0.000 0.263 438 M C 2.067 178.457 176.300 0.149 0.000 1.065 438 M CA 1.155 56.542 55.300 0.146 0.000 1.122 438 M CB -1.363 31.240 32.600 0.005 0.000 1.365 438 M HN 0.318 nan 8.290 nan 0.000 0.411 439 L N -1.528 119.670 121.223 -0.041 0.000 2.046 439 L HA -0.240 4.115 4.340 0.025 0.000 0.208 439 L C 2.500 179.491 176.870 0.202 0.000 1.077 439 L CA 1.461 56.204 54.840 -0.161 0.000 0.747 439 L CB -0.820 40.895 42.059 -0.573 0.000 0.896 439 L HN 0.228 nan 8.230 nan 0.000 0.432 440 Y N -0.493 120.017 120.300 0.350 0.000 2.181 440 Y HA -0.275 4.290 4.550 0.025 0.000 0.288 440 Y C 2.695 178.757 175.900 0.269 0.000 1.146 440 Y CA 0.521 58.833 58.100 0.353 0.000 1.164 440 Y CB -0.351 38.267 38.460 0.264 0.000 0.982 440 Y HN 0.183 nan 8.280 nan 0.000 0.515 441 A N -0.271 122.800 122.820 0.417 0.000 1.933 441 A HA -0.183 4.153 4.320 0.025 0.000 0.218 441 A C 1.649 179.323 177.584 0.150 0.000 1.175 441 A CA 1.623 53.824 52.037 0.273 0.000 0.628 441 A CB -0.895 18.281 19.000 0.293 0.000 0.814 441 A HN 0.479 nan 8.150 nan 0.000 0.444 442 F N -0.270 119.772 119.950 0.152 0.000 2.746 442 F HA 0.276 4.818 4.527 0.025 0.000 0.297 442 F C 1.745 177.651 175.800 0.177 0.000 1.113 442 F CA -0.223 57.853 58.000 0.126 0.000 1.367 442 F CB -0.305 38.731 39.000 0.061 0.000 1.111 442 F HN 0.203 nan 8.300 nan 0.000 0.590 443 G N 0.740 109.794 108.800 0.423 0.000 2.594 443 G HA2 0.050 4.025 3.960 0.025 0.000 0.243 443 G HA3 0.050 4.025 3.960 0.025 0.000 0.243 443 G C -0.284 174.808 174.900 0.320 0.000 1.229 443 G CA -0.556 44.836 45.100 0.487 0.000 0.843 443 G HN 0.064 nan 8.290 nan 0.000 0.578 444 K N 0.648 121.214 120.400 0.276 0.000 2.402 444 K HA 0.344 4.679 4.320 0.025 0.000 0.285 444 K C 1.296 177.979 176.600 0.138 0.000 1.054 444 K CA 0.764 57.154 56.287 0.170 0.000 1.001 444 K CB -0.137 32.443 32.500 0.133 0.000 0.946 444 K HN 1.044 nan 8.250 nan 0.000 0.473 445 G N 2.971 111.848 108.800 0.129 0.000 2.168 445 G HA2 -0.317 3.659 3.960 0.025 0.000 0.263 445 G HA3 -0.317 3.659 3.960 0.025 0.000 0.263 445 G C 0.557 175.588 174.900 0.219 0.000 0.977 445 G CA 0.976 46.158 45.100 0.136 0.000 0.659 445 G HN 0.755 nan 8.290 nan 0.000 0.533 446 T N -3.205 111.461 114.554 0.186 0.000 3.054 446 T HA 0.612 4.978 4.350 0.025 0.000 0.255 446 T C 2.333 177.062 174.700 0.048 0.000 1.035 446 T CA 1.226 63.380 62.100 0.090 0.000 0.941 446 T CB 0.428 69.395 68.868 0.164 0.000 1.026 446 T HN 1.297 nan 8.240 nan 0.000 0.533 447 A N 3.377 126.297 122.820 0.167 0.000 1.958 447 A HA -0.257 4.079 4.320 0.025 0.000 0.221 447 A C 2.269 179.928 177.584 0.126 0.000 1.178 447 A CA 1.958 54.084 52.037 0.148 0.000 0.642 447 A CB -1.238 17.837 19.000 0.126 0.000 0.816 447 A HN 0.904 nan 8.150 nan 0.000 0.453 448 H N -1.430 117.699 119.070 0.098 0.000 2.489 448 H HA 0.018 4.589 4.556 0.025 0.000 0.293 448 H C 1.481 176.900 175.328 0.153 0.000 1.066 448 H CA 1.423 57.539 56.048 0.114 0.000 1.305 448 H CB -0.620 29.176 29.762 0.056 0.000 1.386 448 H HN 0.549 nan 8.280 nan 0.000 0.551 449 M N 1.503 120.833 119.600 -0.450 0.000 2.561 449 M HA 0.016 4.511 4.480 0.025 0.000 0.238 449 M C 1.836 178.155 176.300 0.032 0.000 1.131 449 M CA 0.538 55.654 55.300 -0.307 0.000 1.046 449 M CB 0.279 32.426 32.600 -0.755 0.000 1.532 449 M HN 0.306 nan 8.290 nan 0.000 0.497 450 S N -0.433 115.362 115.700 0.157 0.000 2.555 450 S HA 0.315 4.800 4.470 0.025 0.000 0.230 450 S C 0.975 175.679 174.600 0.174 0.000 0.978 450 S CA 0.307 58.670 58.200 0.272 0.000 0.934 450 S CB -0.348 62.997 63.200 0.242 0.000 0.766 450 S HN 0.613 nan 8.310 nan 0.000 0.533 451 G N 0.061 108.895 108.800 0.056 0.000 2.381 451 G HA2 0.260 4.235 3.960 0.025 0.000 0.672 451 G HA3 0.260 4.235 3.960 0.025 0.000 0.672 451 G C -1.371 173.258 174.900 -0.453 0.000 1.324 451 G CA -0.584 44.378 45.100 -0.230 0.000 0.975 451 G HN 0.744 nan 8.290 nan 0.000 0.593 452 F N 0.908 120.376 119.950 -0.803 0.000 2.628 452 F HA 0.772 5.314 4.527 0.025 0.000 0.309 452 F C -0.575 174.989 175.800 -0.394 0.000 1.108 452 F CA -0.088 57.493 58.000 -0.699 0.000 0.971 452 F CB 2.015 40.322 39.000 -1.155 0.000 1.279 452 F HN 1.055 nan 8.300 nan 0.000 0.441 453 Q N 4.599 123.804 119.800 -0.991 0.000 2.522 453 Q HA 0.537 4.893 4.340 0.025 0.000 0.285 453 Q C -2.216 173.562 176.000 -0.370 0.000 0.982 453 Q CA -1.265 54.297 55.803 -0.401 0.000 0.805 453 Q CB 3.171 31.874 28.738 -0.059 0.000 1.457 453 Q HN 0.731 nan 8.270 nan 0.000 0.394 454 K N 1.779 122.234 120.400 0.093 0.000 2.572 454 K HA 0.483 4.818 4.320 0.025 0.000 0.263 454 K C -1.746 174.857 176.600 0.004 0.000 0.932 454 K CA -0.662 55.656 56.287 0.052 0.000 0.838 454 K CB 1.884 34.384 32.500 0.000 0.000 1.366 454 K HN 0.822 nan 8.250 nan 0.000 0.425 455 I N 0.299 120.755 120.570 -0.189 0.000 2.603 455 I HA 0.588 4.774 4.170 0.025 0.000 0.300 455 I C -0.763 175.277 176.117 -0.128 0.000 1.017 455 I CA -1.226 59.865 61.300 -0.348 0.000 1.098 455 I CB 2.037 39.654 38.000 -0.638 0.000 1.279 455 I HN 0.121 nan 8.210 nan 0.000 0.437 456 V N 6.233 126.092 119.914 -0.092 0.000 2.398 456 V HA 0.521 4.656 4.120 0.025 0.000 0.286 456 V C 0.012 176.052 176.094 -0.089 0.000 1.026 456 V CA -0.314 61.959 62.300 -0.046 0.000 0.868 456 V CB 1.533 33.361 31.823 0.009 0.000 0.982 456 V HN 0.549 nan 8.190 nan 0.000 0.443 457 I N 3.295 123.825 120.570 -0.068 0.000 2.569 457 I HA 0.392 4.578 4.170 0.025 0.000 0.296 457 I C -0.274 175.820 176.117 -0.038 0.000 1.028 457 I CA -0.587 60.673 61.300 -0.066 0.000 1.082 457 I CB 2.112 40.080 38.000 -0.054 0.000 1.264 457 I HN 0.523 nan 8.210 nan 0.000 0.429 458 D N 4.433 124.814 120.400 -0.032 0.000 2.343 458 D HA 0.182 4.837 4.640 0.025 0.000 0.255 458 D C 0.877 177.192 176.300 0.025 0.000 1.187 458 D CA 0.040 54.054 54.000 0.025 0.000 0.875 458 D CB 1.929 42.774 40.800 0.074 0.000 1.136 458 D HN 0.722 nan 8.370 nan 0.000 0.469 459 A N 5.423 128.262 122.820 0.032 0.000 1.978 459 A HA -0.182 4.153 4.320 0.025 0.000 0.220 459 A C 1.919 179.515 177.584 0.019 0.000 1.170 459 A CA 1.173 53.222 52.037 0.020 0.000 0.636 459 A CB -0.004 19.009 19.000 0.021 0.000 0.810 459 A HN 0.494 nan 8.150 nan 0.000 0.448 460 K N -0.802 119.614 120.400 0.027 0.000 2.141 460 K HA -0.013 4.322 4.320 0.025 0.000 0.202 460 K C 2.152 178.763 176.600 0.018 0.000 1.045 460 K CA 1.762 58.061 56.287 0.020 0.000 0.971 460 K CB -1.220 31.292 32.500 0.019 0.000 0.795 460 K HN 0.634 nan 8.250 nan 0.000 0.459 461 T N -1.310 113.260 114.554 0.027 0.000 3.067 461 T HA 0.074 4.439 4.350 0.025 0.000 0.261 461 T C 0.710 175.415 174.700 0.010 0.000 1.110 461 T CA 0.142 62.255 62.100 0.021 0.000 1.113 461 T CB -0.019 68.868 68.868 0.033 0.000 0.917 461 T HN 0.259 nan 8.240 nan 0.000 0.499 462 R N 0.275 120.779 120.500 0.007 0.000 3.989 462 R HA -0.119 4.236 4.340 0.025 0.000 0.377 462 R C -0.484 175.805 176.300 -0.019 0.000 1.158 462 R CA 0.899 56.995 56.100 -0.006 0.000 1.035 462 R CB -1.925 28.372 30.300 -0.005 0.000 1.557 462 R HN 0.490 nan 8.270 nan 0.000 0.551 463 K N 1.123 121.511 120.400 -0.018 0.000 2.185 463 K HA 0.348 4.683 4.320 0.025 0.000 0.271 463 K C 0.301 176.861 176.600 -0.068 0.000 1.013 463 K CA -0.458 55.806 56.287 -0.037 0.000 0.943 463 K CB 1.477 33.961 32.500 -0.026 0.000 0.998 463 K HN -0.184 nan 8.250 nan 0.000 0.468 464 V N 4.968 124.828 119.914 -0.090 0.000 2.470 464 V HA 0.010 4.145 4.120 0.025 0.000 0.276 464 V C 1.165 177.175 176.094 -0.140 0.000 1.040 464 V CA 0.128 62.349 62.300 -0.131 0.000 1.008 464 V CB 0.418 32.142 31.823 -0.165 0.000 0.990 464 V HN 0.683 nan 8.190 nan 0.000 0.477 465 L N 4.176 125.308 121.223 -0.153 0.000 2.513 465 L HA 0.502 4.858 4.340 0.025 0.000 0.222 465 L C 1.008 177.796 176.870 -0.136 0.000 1.096 465 L CA 0.564 55.304 54.840 -0.167 0.000 0.857 465 L CB 0.161 42.074 42.059 -0.242 0.000 1.026 465 L HN 0.791 nan 8.230 nan 0.000 0.469 466 G N -0.257 108.456 108.800 -0.146 0.000 2.632 466 G HA2 0.668 4.643 3.960 0.025 0.000 0.292 466 G HA3 0.668 4.643 3.960 0.025 0.000 0.292 466 G C -2.100 172.605 174.900 -0.324 0.000 1.465 466 G CA 0.045 45.046 45.100 -0.165 0.000 0.824 466 G HN -0.010 nan 8.290 nan 0.000 0.509 467 A N 1.258 123.750 122.820 -0.547 0.000 2.422 467 A HA 0.920 5.255 4.320 0.025 0.000 0.302 467 A C -1.164 176.159 177.584 -0.436 0.000 1.041 467 A CA -0.731 51.009 52.037 -0.495 0.000 0.708 467 A CB 1.480 20.147 19.000 -0.555 0.000 1.257 467 A HN 0.843 nan 8.150 nan 0.000 0.414 468 H N 1.733 121.074 119.070 0.452 0.000 2.865 468 H HA 0.531 5.103 4.556 0.025 0.000 0.362 468 H C -1.563 174.095 175.328 0.549 0.000 1.114 468 H CA -0.386 55.968 56.048 0.509 0.000 1.208 468 H CB 2.073 32.028 29.762 0.322 0.000 1.727 468 H HN 0.836 nan 8.280 nan 0.000 0.534 469 H N 1.498 120.773 119.070 0.342 0.000 3.029 469 H HA 0.353 4.924 4.556 0.025 0.000 0.358 469 H C -1.916 173.431 175.328 0.032 0.000 1.129 469 H CA -0.438 55.696 56.048 0.142 0.000 1.230 469 H CB 1.928 31.742 29.762 0.087 0.000 1.827 469 H HN 0.373 nan 8.280 nan 0.000 0.530 470 V N 4.785 124.417 119.914 -0.471 0.000 2.483 470 V HA 0.681 4.816 4.120 0.025 0.000 0.297 470 V C 0.558 176.268 176.094 -0.639 0.000 1.027 470 V CA 0.394 62.483 62.300 -0.351 0.000 0.855 470 V CB 1.017 32.719 31.823 -0.202 0.000 0.995 470 V HN 1.077 nan 8.190 nan 0.000 0.424 471 G N 4.091 112.665 108.800 -0.377 0.000 2.530 471 G HA2 0.229 4.205 3.960 0.025 0.000 0.081 471 G HA3 0.229 4.205 3.960 0.025 0.000 0.081 471 G C -1.843 172.817 174.900 -0.400 0.000 1.062 471 G CA -0.346 44.583 45.100 -0.286 0.000 1.108 471 G HN 0.455 nan 8.290 nan 0.000 0.466 472 Y N -0.511 120.008 120.300 0.365 0.000 2.544 472 Y HA 0.520 5.085 4.550 0.025 0.000 0.342 472 Y C 0.867 176.848 175.900 0.134 0.000 1.062 472 Y CA 0.268 58.512 58.100 0.241 0.000 1.023 472 Y CB 2.398 40.980 38.460 0.202 0.000 1.308 472 Y HN 1.973 nan 8.280 nan 0.000 0.457 473 G N 0.320 109.237 108.800 0.196 0.000 2.143 473 G HA2 -0.212 3.763 3.960 0.025 0.000 0.249 473 G HA3 -0.212 3.763 3.960 0.025 0.000 0.249 473 G C 0.533 175.385 174.900 -0.080 0.000 0.981 473 G CA 0.525 45.657 45.100 0.052 0.000 0.665 473 G HN 1.193 nan 8.290 nan 0.000 0.528 474 A N -0.424 122.266 122.820 -0.218 0.000 2.167 474 A HA 0.517 4.852 4.320 0.025 0.000 0.208 474 A C 1.862 179.338 177.584 -0.180 0.000 1.198 474 A CA 1.666 53.503 52.037 -0.333 0.000 0.863 474 A CB -0.113 18.287 19.000 -0.999 0.000 0.904 474 A HN 0.499 nan 8.150 nan 0.000 0.484 475 K N 0.596 120.838 120.400 -0.264 0.000 2.034 475 K HA -0.305 4.030 4.320 0.025 0.000 0.214 475 K C 1.569 178.071 176.600 -0.164 0.000 1.051 475 K CA 2.342 58.434 56.287 -0.325 0.000 0.931 475 K CB -0.343 31.872 32.500 -0.474 0.000 0.715 475 K HN 0.355 nan 8.250 nan 0.000 0.446 476 D N -0.585 119.751 120.400 -0.106 0.000 2.123 476 D HA -0.116 4.539 4.640 0.025 0.000 0.196 476 D C 1.719 178.052 176.300 0.056 0.000 0.992 476 D CA 1.476 55.455 54.000 -0.034 0.000 0.833 476 D CB -0.056 40.766 40.800 0.036 0.000 0.954 476 D HN 0.419 nan 8.370 nan 0.000 0.455 477 A N -0.557 122.340 122.820 0.129 0.000 1.933 477 A HA -0.128 4.207 4.320 0.025 0.000 0.218 477 A C 1.890 179.580 177.584 0.176 0.000 1.175 477 A CA 0.849 53.008 52.037 0.204 0.000 0.628 477 A CB -0.985 18.097 19.000 0.136 0.000 0.814 477 A HN 0.286 nan 8.150 nan 0.000 0.444 478 F N 0.554 120.455 119.950 -0.083 0.000 2.269 478 F HA -0.178 4.364 4.527 0.025 0.000 0.301 478 F C 2.587 178.300 175.800 -0.145 0.000 1.082 478 F CA 1.498 59.446 58.000 -0.087 0.000 1.360 478 F CB -0.523 38.416 39.000 -0.101 0.000 1.041 478 F HN 0.372 nan 8.300 nan 0.000 0.512 479 Q N -1.309 118.424 119.800 -0.111 0.000 2.050 479 Q HA -0.219 4.136 4.340 0.025 0.000 0.202 479 Q C 1.978 177.753 176.000 -0.375 0.000 0.980 479 Q CA 2.114 57.710 55.803 -0.346 0.000 0.840 479 Q CB -0.478 27.863 28.738 -0.663 0.000 0.898 479 Q HN 0.492 nan 8.270 nan 0.000 0.424 480 Y N -0.240 120.053 120.300 -0.011 0.000 2.314 480 Y HA -0.106 4.460 4.550 0.025 0.000 0.294 480 Y C 2.092 177.960 175.900 -0.053 0.000 1.119 480 Y CA 0.101 58.186 58.100 -0.024 0.000 1.179 480 Y CB -0.092 38.359 38.460 -0.015 0.000 1.025 480 Y HN 0.090 nan 8.280 nan 0.000 0.541 481 L N 1.015 122.258 121.223 0.033 0.000 2.083 481 L HA -0.222 4.134 4.340 0.025 0.000 0.209 481 L C 1.838 178.634 176.870 -0.123 0.000 1.083 481 L CA 1.805 56.597 54.840 -0.080 0.000 0.752 481 L CB -0.962 40.960 42.059 -0.229 0.000 0.899 481 L HN 0.172 nan 8.230 nan 0.000 0.433 482 N N -1.004 117.615 118.700 -0.135 0.000 2.166 482 N HA -0.170 4.585 4.740 0.025 0.000 0.186 482 N C 1.721 177.190 175.510 -0.069 0.000 1.019 482 N CA 1.583 54.563 53.050 -0.118 0.000 0.856 482 N CB -0.150 38.278 38.487 -0.098 0.000 0.993 482 N HN 0.265 nan 8.380 nan 0.000 0.426 483 V N 0.663 120.556 119.914 -0.036 0.000 2.343 483 V HA -0.192 3.943 4.120 0.025 0.000 0.247 483 V C 2.258 178.349 176.094 -0.004 0.000 1.051 483 V CA 1.315 63.613 62.300 -0.003 0.000 1.036 483 V CB -0.545 31.302 31.823 0.039 0.000 0.654 483 V HN 0.337 nan 8.190 nan 0.000 0.451 484 L N -0.754 120.466 121.223 -0.006 0.000 2.083 484 L HA -0.163 4.193 4.340 0.025 0.000 0.209 484 L C 2.345 179.194 176.870 -0.036 0.000 1.083 484 L CA 1.596 56.428 54.840 -0.013 0.000 0.752 484 L CB -0.459 41.593 42.059 -0.012 0.000 0.899 484 L HN 0.259 nan 8.230 nan 0.000 0.433 485 I N -0.319 120.213 120.570 -0.063 0.000 2.315 485 I HA -0.270 3.916 4.170 0.025 0.000 0.248 485 I C 2.382 178.465 176.117 -0.056 0.000 1.117 485 I CA 1.276 62.528 61.300 -0.079 0.000 1.404 485 I CB -0.238 37.688 38.000 -0.123 0.000 1.071 485 I HN 0.221 nan 8.210 nan 0.000 0.419 486 K N 0.457 120.831 120.400 -0.044 0.000 2.283 486 K HA -0.156 4.179 4.320 0.025 0.000 0.202 486 K C 1.832 178.424 176.600 -0.013 0.000 1.048 486 K CA 0.927 57.198 56.287 -0.027 0.000 0.948 486 K CB -0.104 32.386 32.500 -0.018 0.000 0.742 486 K HN 0.477 nan 8.250 nan 0.000 0.458 487 Q N -0.417 119.376 119.800 -0.011 0.000 2.451 487 Q HA 0.014 4.369 4.340 0.025 0.000 0.206 487 Q C 0.508 176.504 176.000 -0.007 0.000 0.947 487 Q CA 0.531 56.333 55.803 -0.003 0.000 0.937 487 Q CB 0.610 29.349 28.738 0.002 0.000 1.025 487 Q HN 0.496 nan 8.270 nan 0.000 0.511 488 G N 1.354 110.144 108.800 -0.017 0.000 2.173 488 G HA2 -0.199 3.776 3.960 0.025 0.000 0.174 488 G HA3 -0.199 3.776 3.960 0.025 0.000 0.174 488 G C -0.452 174.434 174.900 -0.023 0.000 1.025 488 G CA -0.477 44.612 45.100 -0.018 0.000 0.706 488 G HN 0.215 nan 8.290 nan 0.000 0.499 489 L N 2.568 123.770 121.223 -0.034 0.000 2.559 489 L HA 0.545 4.900 4.340 0.025 0.000 0.274 489 L C 1.218 178.063 176.870 -0.042 0.000 1.205 489 L CA 1.205 56.022 54.840 -0.038 0.000 0.907 489 L CB 0.372 42.400 42.059 -0.052 0.000 1.153 489 L HN 0.590 nan 8.230 nan 0.000 0.490 490 T N 1.227 115.763 114.554 -0.030 0.000 2.936 490 T HA 0.284 4.649 4.350 0.025 0.000 0.282 490 T C 0.999 175.681 174.700 -0.030 0.000 1.003 490 T CA -0.174 61.908 62.100 -0.029 0.000 1.005 490 T CB 1.380 70.239 68.868 -0.016 0.000 1.097 490 T HN 0.427 nan 8.240 nan 0.000 0.532 491 V N 0.905 120.802 119.914 -0.029 0.000 2.490 491 V HA -0.134 4.001 4.120 0.025 0.000 0.250 491 V C 1.720 177.809 176.094 -0.010 0.000 1.061 491 V CA 2.462 64.747 62.300 -0.024 0.000 1.064 491 V CB -1.125 30.685 31.823 -0.022 0.000 0.670 491 V HN 0.959 nan 8.190 nan 0.000 0.461 492 D N -0.300 120.095 120.400 -0.008 0.000 2.117 492 D HA -0.162 4.493 4.640 0.025 0.000 0.198 492 D C 2.130 178.429 176.300 -0.001 0.000 0.982 492 D CA 1.581 55.580 54.000 -0.003 0.000 0.828 492 D CB -0.151 40.647 40.800 -0.003 0.000 0.967 492 D HN 0.591 nan 8.370 nan 0.000 0.464 493 E N 0.012 120.210 120.200 -0.005 0.000 2.150 493 E HA -0.128 4.237 4.350 0.025 0.000 0.193 493 E C 1.829 178.430 176.600 0.001 0.000 0.985 493 E CA 0.275 56.673 56.400 -0.003 0.000 0.814 493 E CB -0.002 29.694 29.700 -0.007 0.000 0.752 493 E HN 0.146 nan 8.360 nan 0.000 0.466 494 L N 0.695 121.918 121.223 0.000 0.000 2.056 494 L HA -0.019 4.336 4.340 0.025 0.000 0.207 494 L C 2.195 179.082 176.870 0.027 0.000 1.078 494 L CA 2.038 56.886 54.840 0.013 0.000 0.749 494 L CB -0.860 41.203 42.059 0.007 0.000 0.901 494 L HN 0.094 nan 8.230 nan 0.000 0.433 495 G N -1.539 107.273 108.800 0.020 0.000 2.471 495 G HA2 -0.196 3.779 3.960 0.025 0.000 0.219 495 G HA3 -0.196 3.779 3.960 0.025 0.000 0.219 495 G C 1.148 176.056 174.900 0.015 0.000 1.125 495 G CA 0.633 45.746 45.100 0.022 0.000 0.775 495 G HN 0.423 nan 8.290 nan 0.000 0.548 496 D N 0.266 120.672 120.400 0.011 0.000 2.355 496 D HA 0.088 4.743 4.640 0.025 0.000 0.218 496 D C 1.425 177.730 176.300 0.009 0.000 1.004 496 D CA 0.201 54.205 54.000 0.007 0.000 0.880 496 D CB 0.182 40.984 40.800 0.004 0.000 0.911 496 D HN 0.334 nan 8.370 nan 0.000 0.528 497 M N 0.533 120.142 119.600 0.015 0.000 2.114 497 M HA 0.086 4.581 4.480 0.025 0.000 0.293 497 M C 0.103 176.414 176.300 0.018 0.000 1.201 497 M CA 0.035 55.345 55.300 0.016 0.000 1.107 497 M CB 0.726 33.339 32.600 0.022 0.000 1.405 497 M HN -0.305 nan 8.290 nan 0.000 0.486 498 D N 2.216 122.626 120.400 0.017 0.000 2.373 498 D HA 0.128 4.783 4.640 0.025 0.000 0.227 498 D C -0.275 176.045 176.300 0.034 0.000 1.091 498 D CA -0.188 53.824 54.000 0.020 0.000 0.840 498 D CB 0.678 41.485 40.800 0.013 0.000 1.060 498 D HN 0.429 nan 8.370 nan 0.000 0.502 499 E N 2.266 122.496 120.200 0.050 0.000 2.349 499 E HA 0.236 4.602 4.350 0.025 0.000 0.262 499 E C -0.587 176.072 176.600 0.097 0.000 1.088 499 E CA -0.547 55.902 56.400 0.082 0.000 0.899 499 E CB 1.520 31.290 29.700 0.116 0.000 1.044 499 E HN 0.348 nan 8.360 nan 0.000 0.420 500 L N 2.860 124.150 121.223 0.113 0.000 2.387 500 L HA 0.315 4.670 4.340 0.025 0.000 0.259 500 L C -0.464 176.506 176.870 0.166 0.000 1.050 500 L CA -0.804 54.101 54.840 0.108 0.000 0.922 500 L CB 0.153 42.243 42.059 0.053 0.000 1.280 500 L HN 0.443 nan 8.230 nan 0.000 0.449 501 F N 2.566 122.539 119.950 0.037 0.000 2.429 501 F HA 0.309 4.852 4.527 0.025 0.000 0.348 501 F C 0.088 175.917 175.800 0.048 0.000 1.109 501 F CA -0.224 57.809 58.000 0.055 0.000 1.232 501 F CB 0.849 39.875 39.000 0.044 0.000 1.157 501 F HN 0.141 nan 8.300 nan 0.000 0.564 502 L N 5.736 126.694 121.223 -0.441 0.000 2.331 502 L HA 0.182 4.537 4.340 0.025 0.000 0.278 502 L C -0.418 176.297 176.870 -0.259 0.000 1.106 502 L CA -0.174 54.099 54.840 -0.945 0.000 0.824 502 L CB 0.357 41.936 42.059 -0.800 0.000 1.142 502 L HN 0.575 nan 8.230 nan 0.000 0.443 503 N N 3.270 121.949 118.700 -0.035 0.000 2.399 503 N HA 0.445 5.200 4.740 0.025 0.000 0.295 503 N C -2.415 172.993 175.510 -0.170 0.000 1.048 503 N CA -2.405 50.640 53.050 -0.008 0.000 0.886 503 N CB 0.889 39.421 38.487 0.075 0.000 1.185 503 N HN 0.124 nan 8.380 nan 0.000 0.487 504 P HA -0.139 nan 4.420 nan 0.000 0.216 504 P C -0.015 177.051 177.300 -0.390 0.000 1.157 504 P CA 1.985 64.978 63.100 -0.178 0.000 0.880 504 P CB -0.010 31.604 31.700 -0.143 0.000 0.791 505 T N -3.037 111.229 114.554 -0.480 0.000 2.767 505 T HA 0.247 4.612 4.350 0.025 0.000 0.284 505 T C 0.419 174.764 174.700 -0.591 0.000 0.973 505 T CA -0.560 61.073 62.100 -0.778 0.000 0.996 505 T CB 0.489 68.788 68.868 -0.949 0.000 0.927 505 T HN 0.142 nan 8.240 nan 0.000 0.456 506 H N 2.432 121.289 119.070 -0.355 0.000 2.517 506 H HA 0.197 4.768 4.556 0.026 0.000 0.282 506 H C 0.795 176.157 175.328 0.057 0.000 1.023 506 H CA -0.718 55.299 56.048 -0.051 0.000 1.169 506 H CB -0.155 29.637 29.762 0.050 0.000 1.454 506 H HN 0.591 nan 8.280 nan 0.000 0.556 507 F N 0.986 121.010 119.950 0.122 0.000 2.120 507 F HA -0.204 4.338 4.527 0.025 0.000 0.300 507 F C 2.338 178.166 175.800 0.046 0.000 1.095 507 F CA 0.573 58.608 58.000 0.058 0.000 1.249 507 F CB -1.113 37.889 39.000 0.003 0.000 0.995 507 F HN 0.147 nan 8.300 nan 0.000 0.480 508 I N 0.222 120.929 120.570 0.229 0.000 2.090 508 I HA -0.310 3.875 4.170 0.025 0.000 0.236 508 I C 2.816 178.992 176.117 0.099 0.000 1.064 508 I CA 1.807 63.188 61.300 0.135 0.000 1.324 508 I CB -0.718 37.342 38.000 0.100 0.000 1.044 508 I HN 0.201 nan 8.210 nan 0.000 0.399 509 Q N 1.313 121.169 119.800 0.094 0.000 2.167 509 Q HA -0.160 4.195 4.340 0.025 0.000 0.202 509 Q C 2.144 178.169 176.000 0.042 0.000 0.970 509 Q CA 1.615 57.441 55.803 0.038 0.000 0.855 509 Q CB -0.693 28.034 28.738 -0.018 0.000 0.911 509 Q HN 0.536 nan 8.270 nan 0.000 0.438 510 L N 1.112 122.388 121.223 0.089 0.000 2.093 510 L HA -0.092 4.263 4.340 0.025 0.000 0.208 510 L C 2.575 179.483 176.870 0.064 0.000 1.085 510 L CA 1.108 55.996 54.840 0.080 0.000 0.755 510 L CB -0.407 41.731 42.059 0.133 0.000 0.904 510 L HN 0.172 nan 8.230 nan 0.000 0.435 511 S N -0.399 115.347 115.700 0.076 0.000 2.368 511 S HA -0.190 4.295 4.470 0.025 0.000 0.225 511 S C 2.066 176.681 174.600 0.025 0.000 1.030 511 S CA 1.130 59.356 58.200 0.043 0.000 0.999 511 S CB -0.250 62.975 63.200 0.042 0.000 0.844 511 S HN 0.334 nan 8.310 nan 0.000 0.459 512 R N 0.860 121.375 120.500 0.025 0.000 2.120 512 R HA 0.006 4.361 4.340 0.025 0.000 0.234 512 R C 1.932 178.234 176.300 0.003 0.000 1.123 512 R CA 0.971 57.077 56.100 0.010 0.000 0.975 512 R CB -0.307 29.996 30.300 0.004 0.000 0.866 512 R HN 0.369 nan 8.270 nan 0.000 0.446 513 L N -0.032 121.193 121.223 0.004 0.000 2.275 513 L HA -0.093 4.262 4.340 0.025 0.000 0.215 513 L C 2.109 178.981 176.870 0.002 0.000 1.119 513 L CA 0.867 55.707 54.840 -0.001 0.000 0.790 513 L CB -0.098 41.961 42.059 -0.001 0.000 0.919 513 L HN 0.103 nan 8.230 nan 0.000 0.443 514 R N -0.834 119.670 120.500 0.007 0.000 2.344 514 R HA 0.252 4.607 4.340 0.025 0.000 0.209 514 R C 2.040 178.342 176.300 0.003 0.000 0.886 514 R CA 0.776 56.879 56.100 0.005 0.000 1.040 514 R CB -0.236 30.068 30.300 0.008 0.000 1.114 514 R HN 0.135 nan 8.270 nan 0.000 0.547 515 A N 0.755 123.577 122.820 0.003 0.000 2.076 515 A HA -0.050 4.285 4.320 0.025 0.000 0.220 515 A C 2.067 179.651 177.584 0.000 0.000 1.160 515 A CA 1.681 53.719 52.037 0.001 0.000 0.653 515 A CB -0.765 18.236 19.000 0.002 0.000 0.801 515 A HN 0.336 nan 8.150 nan 0.000 0.455 516 G N -0.894 107.906 108.800 -0.000 0.000 2.598 516 G HA2 0.162 4.138 3.960 0.025 0.000 0.215 516 G HA3 0.162 4.138 3.960 0.025 0.000 0.215 516 G C 0.651 175.551 174.900 -0.000 0.000 1.131 516 G CA 0.742 45.841 45.100 -0.001 0.000 0.785 516 G HN 0.441 nan 8.290 nan 0.000 0.539 517 S N -0.476 115.224 115.700 0.000 0.000 2.541 517 S HA 0.330 4.815 4.470 0.025 0.000 0.283 517 S C 0.858 175.459 174.600 0.001 0.000 1.196 517 S CA -0.671 57.530 58.200 0.001 0.000 1.062 517 S CB 2.097 65.298 63.200 0.002 0.000 1.009 517 S HN 0.237 nan 8.310 nan 0.000 0.502 518 K N 1.374 121.775 120.400 0.001 0.000 2.155 518 K HA 0.039 4.374 4.320 0.025 0.000 0.203 518 K C -0.120 176.482 176.600 0.002 0.000 1.052 518 K CA 0.764 57.052 56.287 0.002 0.000 0.948 518 K CB 0.030 32.532 32.500 0.002 0.000 0.728 518 K HN 0.406 nan 8.250 nan 0.000 0.448 519 N N 1.768 120.469 118.700 0.003 0.000 2.501 519 N HA 0.181 4.937 4.740 0.025 0.000 0.245 519 N C -0.585 174.927 175.510 0.004 0.000 0.974 519 N CA -0.130 52.923 53.050 0.004 0.000 0.941 519 N CB 1.073 39.562 38.487 0.004 0.000 1.122 519 N HN 0.015 nan 8.380 nan 0.000 0.507 520 L N 1.487 122.713 121.223 0.004 0.000 2.461 520 L HA 0.265 4.620 4.340 0.025 0.000 0.272 520 L C 0.192 177.065 176.870 0.006 0.000 1.197 520 L CA -0.162 54.681 54.840 0.004 0.000 0.836 520 L CB 0.451 42.511 42.059 0.002 0.000 1.105 520 L HN 0.052 nan 8.230 nan 0.000 0.477 521 V N 1.478 121.396 119.914 0.006 0.000 2.709 521 V HA 0.257 4.392 4.120 0.025 0.000 0.308 521 V C 0.026 176.126 176.094 0.010 0.000 1.062 521 V CA -0.710 61.595 62.300 0.008 0.000 0.901 521 V CB 2.017 33.844 31.823 0.008 0.000 1.003 521 V HN 0.831 nan 8.190 nan 0.000 0.425 522 S N 3.481 119.188 115.700 0.012 0.000 2.573 522 S HA 0.465 4.950 4.470 0.025 0.000 0.277 522 S C -0.227 174.384 174.600 0.017 0.000 1.346 522 S CA 0.049 58.258 58.200 0.015 0.000 1.034 522 S CB 0.768 63.979 63.200 0.018 0.000 0.879 522 S HN 0.547 nan 8.310 nan 0.000 0.528 523 L N 0.000 121.236 121.223 0.021 0.000 2.949 523 L HA 0.000 4.355 4.340 0.025 0.000 0.249 523 L CA 0.000 54.854 54.840 0.024 0.000 0.813 523 L CB 0.000 42.074 42.059 0.026 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502