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 1t90_1_C DATA FIRST_RESID 3 DATA SEQUENCE EIRKLKNYIN GEWVESKTDQ YEDVVNPATK EVLCQVPIST KEDIDYAAQT DATA SEQUENCE AAEAFKTWSK VAVPRRARIL FNFQQLLSQH KEELAHLITI ENGKNTKEAL DATA SEQUENCE GEVGRGIENV EFAAGAPSLM MGDSLASIAT DVEAANYRYP IGVVGGIAPF DATA SEQUENCE NFPMMVPCWM FPMAIALGNT FILKPSERTP LLTEKLVELF EKAGLPKGVF DATA SEQUENCE NVVYGAHDVV NGILEHPEIK AISFVGSKPV GEYVYKKGSE NLKRVQSLTG DATA SEQUENCE AKNHTIVLND ANLEDTVTNI VGAAFGSAGE RCMACAVVTV EEGIADEFMA DATA SEQUENCE KLQEKVADIK IGNGLDDGVF LGPVIREDNK KRTLSYIEKG LEEGARLVCD DATA SEQUENCE GRENVSDDGY FVGPTIFDNV TTEMTIWKDE IFAPVLSVIR VKNLKEAIEI DATA SEQUENCE ANKSEFANGA CLFTSNSNAI RYFRENIDAG MLGINLGVPA PMAFFPFSGW DATA SEQUENCE KSSFFGTLHA NGKDSVDFYT RKKVVTARYP APDF 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.572 176.600 -0.047 0.000 1.382 3 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 3 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 4 I N 2.772 123.306 120.570 -0.060 0.000 2.330 4 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 4 I C 0.668 176.735 176.117 -0.083 0.000 1.025 4 I CA -0.595 60.668 61.300 -0.063 0.000 1.197 4 I CB 0.810 38.774 38.000 -0.060 0.000 1.358 4 I HN -0.051 nan 8.210 nan 0.000 0.467 5 R N 5.759 126.215 120.500 -0.073 0.000 2.494 5 R HA -0.045 4.295 4.340 -0.000 0.000 0.291 5 R C -0.221 176.024 176.300 -0.091 0.000 0.953 5 R CA 0.443 56.494 56.100 -0.082 0.000 1.098 5 R CB 0.445 30.700 30.300 -0.076 0.000 0.911 5 R HN 0.447 nan 8.270 nan 0.000 0.407 6 K N 4.925 125.263 120.400 -0.103 0.000 2.248 6 K HA 0.150 4.470 4.320 -0.000 0.000 0.281 6 K C -0.502 176.112 176.600 0.023 0.000 1.054 6 K CA -0.752 55.488 56.287 -0.078 0.000 0.903 6 K CB 0.957 33.319 32.500 -0.231 0.000 1.077 6 K HN 0.286 nan 8.250 nan 0.000 0.474 7 L N 3.087 124.334 121.223 0.040 0.000 2.467 7 L HA 0.123 4.463 4.340 -0.000 0.000 0.270 7 L C 0.557 177.533 176.870 0.177 0.000 1.205 7 L CA 0.761 55.594 54.840 -0.011 0.000 0.828 7 L CB 0.086 41.992 42.059 -0.256 0.000 1.101 7 L HN 0.469 nan 8.230 nan 0.000 0.479 8 K N 1.398 121.953 120.400 0.260 0.000 2.295 8 K HA 0.432 4.752 4.320 -0.000 0.000 0.239 8 K C -0.716 176.296 176.600 0.688 0.000 0.991 8 K CA -0.904 55.634 56.287 0.418 0.000 0.845 8 K CB 1.470 34.204 32.500 0.390 0.000 1.197 8 K HN 0.530 nan 8.250 nan 0.000 0.441 9 N N 0.383 119.373 118.700 0.482 0.000 2.515 9 N HA 0.109 4.849 4.740 -0.000 0.000 0.279 9 N C -1.397 174.205 175.510 0.153 0.000 1.164 9 N CA -0.391 52.838 53.050 0.299 0.000 0.982 9 N CB 0.597 39.150 38.487 0.109 0.000 1.170 9 N HN 0.373 nan 8.380 nan 0.000 0.474 10 Y N 2.587 122.652 120.300 -0.392 0.000 2.417 10 Y HA 0.475 5.025 4.550 -0.000 0.000 0.336 10 Y C -1.094 174.464 175.900 -0.571 0.000 0.961 10 Y CA -0.534 57.066 58.100 -0.832 0.000 1.215 10 Y CB 0.194 37.766 38.460 -1.479 0.000 1.120 10 Y HN 0.351 nan 8.280 nan 0.000 0.499 11 I N 5.406 125.540 120.570 -0.726 0.000 2.533 11 I HA 0.195 4.364 4.170 -0.000 0.000 0.290 11 I C -0.071 175.647 176.117 -0.666 0.000 1.056 11 I CA -1.242 59.680 61.300 -0.630 0.000 1.057 11 I CB 1.862 39.532 38.000 -0.550 0.000 1.240 11 I HN 0.698 nan 8.210 nan 0.000 0.423 12 N N 4.589 122.940 118.700 -0.582 0.000 2.740 12 N HA -0.197 4.542 4.740 -0.000 0.000 0.248 12 N C 0.664 175.898 175.510 -0.459 0.000 1.062 12 N CA 1.398 54.190 53.050 -0.430 0.000 0.704 12 N CB -0.740 37.562 38.487 -0.308 0.000 0.968 12 N HN 1.180 nan 8.380 nan 0.000 0.547 13 G N -1.615 106.756 108.800 -0.715 0.000 2.175 13 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 13 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 13 G C -0.436 174.067 174.900 -0.662 0.000 0.982 13 G CA 0.694 45.446 45.100 -0.579 0.000 0.641 13 G HN 1.112 nan 8.290 nan 0.000 0.527 14 E N -0.641 118.995 120.200 -0.940 0.000 2.412 14 E HA 0.396 4.746 4.350 -0.000 0.000 0.279 14 E C -1.312 174.995 176.600 -0.487 0.000 0.984 14 E CA -1.476 54.630 56.400 -0.490 0.000 0.788 14 E CB 0.062 29.674 29.700 -0.147 0.000 1.277 14 E HN 0.248 nan 8.360 nan 0.000 0.455 15 W N 2.070 123.392 121.300 0.035 0.000 2.546 15 W HA 0.403 5.063 4.660 -0.000 0.000 0.323 15 W C 0.414 176.963 176.519 0.051 0.000 1.272 15 W CA -0.401 57.003 57.345 0.099 0.000 1.404 15 W CB 0.755 30.312 29.460 0.162 0.000 1.411 15 W HN 0.267 nan 8.180 nan 0.000 0.480 16 V N 4.222 124.262 119.914 0.210 0.000 2.732 16 V HA 0.378 4.498 4.120 -0.000 0.000 0.310 16 V C -0.037 176.183 176.094 0.209 0.000 1.053 16 V CA -0.922 61.479 62.300 0.169 0.000 0.957 16 V CB 1.727 33.623 31.823 0.122 0.000 1.018 16 V HN 0.516 nan 8.190 nan 0.000 0.452 17 E N 3.073 123.376 120.200 0.172 0.000 2.313 17 E HA 0.369 4.719 4.350 -0.000 0.000 0.272 17 E C -0.357 176.337 176.600 0.156 0.000 1.038 17 E CA -0.334 56.174 56.400 0.179 0.000 0.863 17 E CB 1.391 31.180 29.700 0.150 0.000 1.060 17 E HN 0.812 nan 8.360 nan 0.000 0.402 18 S N 2.264 118.063 115.700 0.165 0.000 2.584 18 S HA 0.134 4.604 4.470 -0.000 0.000 0.273 18 S C 0.051 174.706 174.600 0.092 0.000 1.311 18 S CA -0.467 57.797 58.200 0.107 0.000 1.034 18 S CB 0.528 63.754 63.200 0.042 0.000 0.939 18 S HN 0.486 nan 8.310 nan 0.000 0.513 19 K N 2.671 123.108 120.400 0.061 0.000 3.100 19 K HA 0.128 4.448 4.320 -0.000 0.000 0.256 19 K C 0.124 176.747 176.600 0.038 0.000 1.146 19 K CA -0.101 56.216 56.287 0.050 0.000 1.233 19 K CB 0.087 32.606 32.500 0.032 0.000 1.226 19 K HN 0.431 nan 8.250 nan 0.000 0.442 20 T N -0.422 114.152 114.554 0.033 0.000 2.912 20 T HA 0.173 4.523 4.350 -0.000 0.000 0.288 20 T C -0.006 174.737 174.700 0.072 0.000 1.030 20 T CA -0.744 61.355 62.100 -0.001 0.000 1.020 20 T CB 1.260 70.056 68.868 -0.119 0.000 1.056 20 T HN 0.100 nan 8.240 nan 0.000 0.480 21 D N 1.662 122.101 120.400 0.065 0.000 2.407 21 D HA 0.098 4.738 4.640 -0.000 0.000 0.208 21 D C 0.357 176.744 176.300 0.146 0.000 1.083 21 D CA 0.202 54.276 54.000 0.122 0.000 0.844 21 D CB 0.664 41.506 40.800 0.071 0.000 0.967 21 D HN 0.503 nan 8.370 nan 0.000 0.506 22 Q N 0.229 120.061 119.800 0.052 0.000 2.257 22 Q HA 0.364 4.704 4.340 -0.000 0.000 0.255 22 Q C -1.467 174.497 176.000 -0.061 0.000 0.920 22 Q CA -0.321 55.499 55.803 0.029 0.000 0.927 22 Q CB 1.122 29.842 28.738 -0.030 0.000 1.229 22 Q HN -0.017 nan 8.270 nan 0.000 0.433 23 Y N 0.917 121.215 120.300 -0.003 0.000 2.588 23 Y HA 0.363 4.913 4.550 -0.000 0.000 0.343 23 Y C -0.731 175.159 175.900 -0.017 0.000 1.065 23 Y CA -0.810 57.285 58.100 -0.008 0.000 1.038 23 Y CB 2.487 40.940 38.460 -0.011 0.000 1.297 23 Y HN 0.582 nan 8.280 nan 0.000 0.467 24 E N 0.951 121.233 120.200 0.137 0.000 2.266 24 E HA 0.285 4.635 4.350 -0.000 0.000 0.268 24 E C -1.826 174.807 176.600 0.056 0.000 0.879 24 E CA -0.940 55.497 56.400 0.063 0.000 0.762 24 E CB 1.289 30.998 29.700 0.016 0.000 1.199 24 E HN 0.489 nan 8.360 nan 0.000 0.422 25 D N 1.805 122.224 120.400 0.031 0.000 2.348 25 D HA 0.133 4.773 4.640 -0.000 0.000 0.253 25 D C -0.840 175.463 176.300 0.005 0.000 1.161 25 D CA -0.013 53.997 54.000 0.015 0.000 0.876 25 D CB 1.515 42.321 40.800 0.011 0.000 1.160 25 D HN 0.112 nan 8.370 nan 0.000 0.459 26 V N 3.717 123.628 119.914 -0.005 0.000 2.370 26 V HA 0.592 4.712 4.120 -0.000 0.000 0.283 26 V C -0.247 175.844 176.094 -0.006 0.000 1.023 26 V CA -0.492 61.802 62.300 -0.009 0.000 0.857 26 V CB 1.158 32.966 31.823 -0.025 0.000 0.985 26 V HN 0.325 nan 8.190 nan 0.000 0.443 27 V N 3.618 123.538 119.914 0.009 0.000 3.096 27 V HA 0.607 4.727 4.120 -0.000 0.000 0.319 27 V C -0.019 176.069 176.094 -0.010 0.000 1.103 27 V CA -0.868 61.436 62.300 0.006 0.000 1.016 27 V CB 1.789 33.637 31.823 0.041 0.000 1.090 27 V HN 1.017 nan 8.190 nan 0.000 0.449 28 N N 2.021 120.694 118.700 -0.045 0.000 2.437 28 N HA 0.380 5.120 4.740 -0.000 0.000 0.243 28 N C -1.906 173.522 175.510 -0.136 0.000 1.041 28 N CA -1.602 51.405 53.050 -0.072 0.000 0.940 28 N CB 1.586 40.029 38.487 -0.072 0.000 1.133 28 N HN 0.505 nan 8.380 nan 0.000 0.506 29 P HA -0.199 nan 4.420 nan 0.000 0.219 29 P C 0.342 177.360 177.300 -0.472 0.000 1.144 29 P CA 1.053 64.037 63.100 -0.194 0.000 0.806 29 P CB 0.241 31.902 31.700 -0.064 0.000 0.771 30 A N -1.637 120.996 122.820 -0.312 0.000 2.147 30 A HA 0.073 4.393 4.320 -0.000 0.000 0.211 30 A C 1.715 179.217 177.584 -0.138 0.000 1.160 30 A CA 1.569 53.451 52.037 -0.258 0.000 0.781 30 A CB -0.713 18.299 19.000 0.020 0.000 0.842 30 A HN 0.312 nan 8.150 nan 0.000 0.475 31 T N -5.503 108.944 114.554 -0.179 0.000 3.130 31 T HA 0.242 4.592 4.350 -0.000 0.000 0.288 31 T C 0.532 175.136 174.700 -0.160 0.000 0.936 31 T CA 0.497 62.528 62.100 -0.116 0.000 0.897 31 T CB -0.190 68.649 68.868 -0.049 0.000 1.178 31 T HN 0.352 nan 8.240 nan 0.000 0.543 32 K N 1.040 121.287 120.400 -0.255 0.000 3.349 32 K HA -0.135 4.185 4.320 -0.000 0.000 0.310 32 K C -0.588 175.963 176.600 -0.082 0.000 1.267 32 K CA 0.949 57.116 56.287 -0.200 0.000 0.920 32 K CB -1.095 31.292 32.500 -0.188 0.000 1.240 32 K HN 0.507 nan 8.250 nan 0.000 0.453 33 E N 1.123 121.280 120.200 -0.072 0.000 2.360 33 E HA 0.112 4.462 4.350 -0.000 0.000 0.269 33 E C 0.195 176.777 176.600 -0.030 0.000 1.022 33 E CA -0.146 56.230 56.400 -0.040 0.000 0.887 33 E CB 1.050 30.730 29.700 -0.034 0.000 0.990 33 E HN -0.029 nan 8.360 nan 0.000 0.426 34 V N 5.319 125.221 119.914 -0.021 0.000 2.427 34 V HA -0.003 4.117 4.120 -0.000 0.000 0.268 34 V C 1.588 177.669 176.094 -0.022 0.000 1.046 34 V CA 0.125 62.414 62.300 -0.017 0.000 0.970 34 V CB 0.270 32.084 31.823 -0.015 0.000 1.001 34 V HN 0.599 nan 8.190 nan 0.000 0.476 35 L N 4.540 125.748 121.223 -0.025 0.000 2.168 35 L HA 0.161 4.501 4.340 -0.000 0.000 0.203 35 L C 1.011 177.859 176.870 -0.036 0.000 1.078 35 L CA 0.868 55.691 54.840 -0.028 0.000 0.780 35 L CB 0.042 42.083 42.059 -0.029 0.000 0.939 35 L HN 0.895 nan 8.230 nan 0.000 0.451 36 C N -3.391 115.886 119.300 -0.040 0.000 3.253 36 C HA 0.468 4.928 4.460 -0.000 0.000 0.362 36 C C -1.319 173.649 174.990 -0.037 0.000 1.487 36 C CA -1.101 57.886 59.018 -0.050 0.000 1.179 36 C CB 1.517 29.215 27.740 -0.070 0.000 1.660 36 C HN 0.220 nan 8.230 nan 0.000 0.438 37 Q N 0.660 120.442 119.800 -0.030 0.000 2.333 37 Q HA 0.698 5.038 4.340 -0.000 0.000 0.267 37 Q C -1.154 174.914 176.000 0.114 0.000 1.012 37 Q CA -0.538 55.289 55.803 0.041 0.000 0.824 37 Q CB 2.393 31.128 28.738 -0.006 0.000 1.290 37 Q HN 0.630 nan 8.270 nan 0.000 0.449 38 V N 4.517 124.495 119.914 0.107 0.000 2.398 38 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 38 V C -2.105 173.972 176.094 -0.028 0.000 1.026 38 V CA -1.877 60.417 62.300 -0.010 0.000 0.868 38 V CB 1.238 32.999 31.823 -0.103 0.000 0.982 38 V HN 0.673 nan 8.190 nan 0.000 0.443 39 P HA 0.273 nan 4.420 nan 0.000 0.279 39 P C -0.638 176.481 177.300 -0.302 0.000 1.239 39 P CA -0.237 62.422 63.100 -0.735 0.000 0.789 39 P CB 1.261 32.610 31.700 -0.585 0.000 0.933 40 I N 1.695 122.076 120.570 -0.314 0.000 2.234 40 I HA 0.092 4.262 4.170 -0.000 0.000 0.287 40 I C 0.758 176.817 176.117 -0.097 0.000 1.131 40 I CA -0.258 60.966 61.300 -0.127 0.000 1.335 40 I CB -1.353 36.584 38.000 -0.105 0.000 1.511 40 I HN 0.228 nan 8.210 nan 0.000 0.588 41 S N 2.909 118.576 115.700 -0.055 0.000 2.536 41 S HA 0.010 4.480 4.470 -0.000 0.000 0.290 41 S C 1.048 175.651 174.600 0.005 0.000 1.302 41 S CA 0.235 58.427 58.200 -0.015 0.000 1.037 41 S CB 0.275 63.495 63.200 0.033 0.000 0.804 41 S HN 0.738 nan 8.310 nan 0.000 0.506 42 T N -0.566 113.997 114.554 0.015 0.000 2.912 42 T HA 0.411 4.761 4.350 -0.000 0.000 0.280 42 T C 0.730 175.456 174.700 0.044 0.000 0.989 42 T CA -1.007 61.108 62.100 0.026 0.000 0.995 42 T CB 0.814 69.695 68.868 0.022 0.000 1.077 42 T HN 0.487 nan 8.240 nan 0.000 0.531 43 K N -0.062 120.367 120.400 0.048 0.000 2.442 43 K HA -0.074 4.246 4.320 -0.000 0.000 0.198 43 K C 2.026 178.668 176.600 0.069 0.000 1.042 43 K CA 0.915 57.238 56.287 0.061 0.000 0.958 43 K CB -0.013 32.520 32.500 0.054 0.000 0.766 43 K HN 0.783 nan 8.250 nan 0.000 0.474 44 E N 1.223 121.458 120.200 0.058 0.000 2.107 44 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 44 E C 1.078 177.734 176.600 0.093 0.000 0.982 44 E CA 1.034 57.471 56.400 0.063 0.000 0.809 44 E CB 0.280 30.004 29.700 0.040 0.000 0.756 44 E HN 0.220 nan 8.360 nan 0.000 0.459 45 D N 0.656 121.107 120.400 0.085 0.000 2.149 45 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 45 D C 1.954 178.304 176.300 0.082 0.000 0.972 45 D CA 0.458 54.522 54.000 0.106 0.000 0.835 45 D CB 0.034 40.879 40.800 0.074 0.000 0.966 45 D HN 0.236 nan 8.370 nan 0.000 0.476 46 I N 1.820 122.427 120.570 0.061 0.000 2.286 46 I HA -0.201 3.968 4.170 -0.000 0.000 0.248 46 I C 1.559 177.701 176.117 0.043 0.000 1.115 46 I CA 1.327 62.646 61.300 0.032 0.000 1.392 46 I CB -0.570 37.463 38.000 0.055 0.000 1.065 46 I HN -0.115 nan 8.210 nan 0.000 0.418 47 D N -0.483 119.996 120.400 0.131 0.000 2.097 47 D HA -0.248 4.392 4.640 -0.000 0.000 0.197 47 D C 2.073 178.458 176.300 0.142 0.000 0.984 47 D CA 1.173 55.294 54.000 0.203 0.000 0.826 47 D CB -0.514 40.413 40.800 0.213 0.000 0.973 47 D HN 0.431 nan 8.370 nan 0.000 0.460 48 Y N 1.249 121.548 120.300 -0.001 0.000 2.128 48 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 48 Y C 2.298 178.153 175.900 -0.076 0.000 1.154 48 Y CA 1.581 59.662 58.100 -0.031 0.000 1.149 48 Y CB 0.031 38.471 38.460 -0.033 0.000 0.976 48 Y HN -0.035 nan 8.280 nan 0.000 0.505 49 A N 0.635 123.300 122.820 -0.257 0.000 1.933 49 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 49 A C 2.325 179.720 177.584 -0.314 0.000 1.175 49 A CA 1.807 53.614 52.037 -0.384 0.000 0.628 49 A CB -1.370 17.474 19.000 -0.260 0.000 0.814 49 A HN 0.645 nan 8.150 nan 0.000 0.444 50 A N -0.646 121.999 122.820 -0.291 0.000 1.873 50 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 50 A C 2.106 179.516 177.584 -0.290 0.000 1.186 50 A CA 1.549 53.337 52.037 -0.415 0.000 0.616 50 A CB -0.619 17.813 19.000 -0.946 0.000 0.823 50 A HN 0.629 nan 8.150 nan 0.000 0.442 51 Q N -0.743 118.960 119.800 -0.162 0.000 2.096 51 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 51 Q C 2.168 178.134 176.000 -0.057 0.000 0.982 51 Q CA 2.012 57.795 55.803 -0.034 0.000 0.850 51 Q CB -0.523 28.265 28.738 0.082 0.000 0.901 51 Q HN 0.650 nan 8.270 nan 0.000 0.422 52 T N 0.819 115.289 114.554 -0.141 0.000 2.674 52 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 52 T C 1.948 176.570 174.700 -0.129 0.000 1.039 52 T CA 1.306 63.299 62.100 -0.177 0.000 1.150 52 T CB -0.377 68.253 68.868 -0.396 0.000 0.864 52 T HN 0.433 nan 8.240 nan 0.000 0.427 53 A N 1.426 124.154 122.820 -0.154 0.000 1.908 53 A HA 0.098 4.417 4.320 -0.000 0.000 0.218 53 A C 2.613 180.199 177.584 0.004 0.000 1.181 53 A CA 1.935 53.918 52.037 -0.090 0.000 0.627 53 A CB -1.084 17.836 19.000 -0.132 0.000 0.818 53 A HN 0.515 nan 8.150 nan 0.000 0.445 54 A N -0.632 122.173 122.820 -0.025 0.000 1.972 54 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 54 A C 1.969 179.631 177.584 0.131 0.000 1.169 54 A CA 2.105 54.170 52.037 0.047 0.000 0.635 54 A CB -0.365 18.635 19.000 0.001 0.000 0.810 54 A HN 0.532 nan 8.150 nan 0.000 0.446 55 E N 0.284 120.526 120.200 0.069 0.000 2.028 55 E HA 0.031 4.381 4.350 -0.000 0.000 0.190 55 E C 2.073 178.724 176.600 0.084 0.000 0.984 55 E CA 1.525 57.965 56.400 0.067 0.000 0.800 55 E CB -0.578 29.139 29.700 0.029 0.000 0.758 55 E HN 0.401 nan 8.360 nan 0.000 0.448 56 A N -0.023 122.837 122.820 0.067 0.000 2.024 56 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 56 A C 2.223 179.915 177.584 0.179 0.000 1.164 56 A CA 1.374 53.459 52.037 0.078 0.000 0.643 56 A CB -1.040 17.966 19.000 0.010 0.000 0.806 56 A HN 0.492 nan 8.150 nan 0.000 0.451 57 F N 0.748 120.743 119.950 0.076 0.000 2.171 57 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 57 F C 2.086 177.956 175.800 0.117 0.000 1.090 57 F CA 1.991 60.070 58.000 0.133 0.000 1.293 57 F CB -0.083 38.968 39.000 0.086 0.000 1.013 57 F HN 0.132 nan 8.300 nan 0.000 0.486 58 K N -0.388 119.994 120.400 -0.031 0.000 2.103 58 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 58 K C 2.011 178.515 176.600 -0.159 0.000 1.048 58 K CA 2.107 58.313 56.287 -0.135 0.000 0.930 58 K CB -0.501 31.996 32.500 -0.004 0.000 0.716 58 K HN 0.497 nan 8.250 nan 0.000 0.444 59 T N -2.517 112.001 114.554 -0.061 0.000 3.033 59 T HA -0.081 4.269 4.350 -0.000 0.000 0.248 59 T C 1.611 176.302 174.700 -0.015 0.000 1.040 59 T CA -0.251 61.828 62.100 -0.035 0.000 1.133 59 T CB -0.463 68.416 68.868 0.020 0.000 0.895 59 T HN 0.446 nan 8.240 nan 0.000 0.465 60 W N 3.173 124.394 121.300 -0.131 0.000 2.338 60 W HA -0.204 4.455 4.660 -0.000 0.000 0.304 60 W C 2.206 178.642 176.519 -0.138 0.000 1.212 60 W CA 1.818 59.103 57.345 -0.100 0.000 1.264 60 W CB -0.339 29.097 29.460 -0.041 0.000 1.142 60 W HN 0.503 nan 8.180 nan 0.000 0.512 61 S N 0.331 115.812 115.700 -0.363 0.000 2.474 61 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 61 S C 1.470 175.846 174.600 -0.373 0.000 0.997 61 S CA 1.071 58.983 58.200 -0.479 0.000 0.949 61 S CB -0.403 62.304 63.200 -0.822 0.000 0.766 61 S HN 0.318 nan 8.310 nan 0.000 0.517 62 K N 0.735 120.946 120.400 -0.315 0.000 2.393 62 K HA 0.238 4.558 4.320 -0.000 0.000 0.193 62 K C -0.398 176.065 176.600 -0.229 0.000 1.026 62 K CA -0.003 56.152 56.287 -0.219 0.000 1.064 62 K CB 0.409 32.816 32.500 -0.156 0.000 0.833 62 K HN 0.242 nan 8.250 nan 0.000 0.521 63 V N 2.857 122.567 119.914 -0.339 0.000 2.415 63 V HA 0.110 4.230 4.120 -0.000 0.000 0.267 63 V C 0.457 176.338 176.094 -0.354 0.000 1.042 63 V CA -0.786 61.309 62.300 -0.341 0.000 1.000 63 V CB 0.349 31.878 31.823 -0.490 0.000 1.015 63 V HN 0.225 nan 8.190 nan 0.000 0.478 64 A N 4.662 127.351 122.820 -0.219 0.000 2.587 64 A HA 0.127 4.447 4.320 -0.000 0.000 0.235 64 A C 1.539 179.013 177.584 -0.184 0.000 1.044 64 A CA 0.708 52.642 52.037 -0.173 0.000 0.754 64 A CB 0.268 19.202 19.000 -0.110 0.000 0.968 64 A HN 1.112 nan 8.150 nan 0.000 0.509 65 V N 3.988 123.810 119.914 -0.153 0.000 2.439 65 V HA -0.164 3.955 4.120 -0.000 0.000 0.253 65 V C -0.446 175.614 176.094 -0.056 0.000 1.074 65 V CA 2.719 64.950 62.300 -0.115 0.000 1.076 65 V CB -1.087 30.689 31.823 -0.078 0.000 0.664 65 V HN 0.868 nan 8.190 nan 0.000 0.461 66 P HA -0.115 nan 4.420 nan 0.000 0.217 66 P C 1.718 179.022 177.300 0.007 0.000 1.150 66 P CA 1.549 64.645 63.100 -0.008 0.000 0.832 66 P CB -0.128 31.559 31.700 -0.021 0.000 0.787 67 R N -0.597 119.886 120.500 -0.028 0.000 2.090 67 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 67 R C 2.432 178.752 176.300 0.033 0.000 1.110 67 R CA 1.096 57.191 56.100 -0.008 0.000 0.973 67 R CB -0.322 29.950 30.300 -0.047 0.000 0.869 67 R HN 0.197 nan 8.270 nan 0.000 0.440 68 R N 0.373 120.853 120.500 -0.034 0.000 2.066 68 R HA -0.022 4.317 4.340 -0.000 0.000 0.232 68 R C 2.367 178.791 176.300 0.208 0.000 1.131 68 R CA 1.275 57.415 56.100 0.065 0.000 0.955 68 R CB -0.430 29.784 30.300 -0.143 0.000 0.851 68 R HN 0.168 nan 8.270 nan 0.000 0.432 69 A N 1.473 124.388 122.820 0.159 0.000 1.948 69 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 69 A C 2.167 179.983 177.584 0.388 0.000 1.177 69 A CA 1.678 53.857 52.037 0.238 0.000 0.636 69 A CB -0.451 18.680 19.000 0.219 0.000 0.815 69 A HN 0.144 nan 8.150 nan 0.000 0.449 70 R N 0.034 120.710 120.500 0.294 0.000 2.096 70 R HA -0.100 4.240 4.340 -0.000 0.000 0.240 70 R C 1.857 178.360 176.300 0.338 0.000 1.139 70 R CA 1.965 58.232 56.100 0.279 0.000 0.952 70 R CB -0.587 29.793 30.300 0.132 0.000 0.854 70 R HN 0.621 nan 8.270 nan 0.000 0.436 71 I N 0.030 120.783 120.570 0.305 0.000 2.361 71 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 71 I C 1.695 178.055 176.117 0.405 0.000 1.133 71 I CA 0.705 62.199 61.300 0.324 0.000 1.413 71 I CB -0.310 37.873 38.000 0.304 0.000 1.073 71 I HN 0.200 nan 8.210 nan 0.000 0.424 72 L N -0.171 121.280 121.223 0.379 0.000 2.141 72 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 72 L C 2.491 179.475 176.870 0.190 0.000 1.094 72 L CA 1.999 57.018 54.840 0.297 0.000 0.763 72 L CB -1.096 41.050 42.059 0.145 0.000 0.908 72 L HN 0.181 nan 8.230 nan 0.000 0.437 73 F N 0.684 120.735 119.950 0.168 0.000 2.134 73 F HA -0.188 4.339 4.527 -0.000 0.000 0.299 73 F C 2.344 178.227 175.800 0.138 0.000 1.097 73 F CA 1.546 59.617 58.000 0.119 0.000 1.264 73 F CB -0.495 38.559 39.000 0.090 0.000 1.001 73 F HN 0.272 nan 8.300 nan 0.000 0.479 74 N N -0.464 118.454 118.700 0.363 0.000 2.084 74 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 74 N C 1.966 177.664 175.510 0.314 0.000 1.030 74 N CA 1.208 54.434 53.050 0.294 0.000 0.849 74 N CB -0.468 38.185 38.487 0.276 0.000 1.012 74 N HN 0.203 nan 8.380 nan 0.000 0.423 75 F N 2.113 122.151 119.950 0.146 0.000 2.095 75 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 75 F C 2.913 178.701 175.800 -0.021 0.000 1.104 75 F CA 1.047 59.074 58.000 0.044 0.000 1.232 75 F CB 0.023 38.948 39.000 -0.126 0.000 0.987 75 F HN 0.090 nan 8.300 nan 0.000 0.475 76 Q N 0.638 120.419 119.800 -0.031 0.000 2.096 76 Q HA -0.301 4.039 4.340 -0.000 0.000 0.204 76 Q C 2.034 177.983 176.000 -0.086 0.000 0.982 76 Q CA 2.137 57.839 55.803 -0.169 0.000 0.850 76 Q CB -0.377 28.277 28.738 -0.139 0.000 0.901 76 Q HN 0.503 nan 8.270 nan 0.000 0.422 77 Q N -0.563 119.256 119.800 0.031 0.000 2.083 77 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 77 Q C 1.994 178.024 176.000 0.050 0.000 0.969 77 Q CA 0.756 56.590 55.803 0.052 0.000 0.838 77 Q CB -0.156 28.644 28.738 0.103 0.000 0.900 77 Q HN 0.276 nan 8.270 nan 0.000 0.436 78 L N -0.108 121.178 121.223 0.104 0.000 2.046 78 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 78 L C 1.972 178.940 176.870 0.162 0.000 1.077 78 L CA 1.308 56.258 54.840 0.184 0.000 0.747 78 L CB -1.314 40.913 42.059 0.280 0.000 0.896 78 L HN 0.320 nan 8.230 nan 0.000 0.432 79 L N -0.705 120.501 121.223 -0.029 0.000 2.012 79 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 79 L C 2.658 179.514 176.870 -0.023 0.000 1.073 79 L CA 1.554 56.339 54.840 -0.092 0.000 0.748 79 L CB -1.479 40.374 42.059 -0.343 0.000 0.891 79 L HN 0.227 nan 8.230 nan 0.000 0.431 80 S N -0.873 114.797 115.700 -0.050 0.000 2.370 80 S HA -0.252 4.218 4.470 -0.000 0.000 0.226 80 S C 1.823 176.397 174.600 -0.042 0.000 1.033 80 S CA 1.156 59.333 58.200 -0.038 0.000 1.011 80 S CB -0.281 62.900 63.200 -0.033 0.000 0.852 80 S HN 0.529 nan 8.310 nan 0.000 0.457 81 Q N -0.129 119.629 119.800 -0.070 0.000 2.291 81 Q HA -0.050 4.290 4.340 -0.000 0.000 0.205 81 Q C 0.595 176.396 176.000 -0.332 0.000 0.970 81 Q CA 0.836 56.520 55.803 -0.198 0.000 0.876 81 Q CB -0.033 28.546 28.738 -0.265 0.000 0.935 81 Q HN 0.643 nan 8.270 nan 0.000 0.455 82 H N -0.549 118.527 119.070 0.010 0.000 2.503 82 H HA 0.200 4.756 4.556 -0.000 0.000 0.296 82 H C 0.790 176.126 175.328 0.014 0.000 1.097 82 H CA -0.064 55.995 56.048 0.018 0.000 1.055 82 H CB 0.498 30.280 29.762 0.033 0.000 1.580 82 H HN 0.163 nan 8.280 nan 0.000 0.546 83 K N 0.658 121.093 120.400 0.059 0.000 2.063 83 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 83 K C 2.006 178.643 176.600 0.061 0.000 1.048 83 K CA 0.989 57.302 56.287 0.045 0.000 0.928 83 K CB 0.392 32.901 32.500 0.014 0.000 0.713 83 K HN 0.186 nan 8.250 nan 0.000 0.442 84 E N 1.547 121.780 120.200 0.056 0.000 2.077 84 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 84 E C 1.748 178.409 176.600 0.102 0.000 0.989 84 E CA 1.447 57.884 56.400 0.062 0.000 0.800 84 E CB 0.151 29.870 29.700 0.033 0.000 0.746 84 E HN 0.328 nan 8.360 nan 0.000 0.452 85 E N 0.291 120.562 120.200 0.119 0.000 2.031 85 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 85 E C 2.466 179.156 176.600 0.150 0.000 0.994 85 E CA 1.133 57.618 56.400 0.142 0.000 0.800 85 E CB -0.169 29.624 29.700 0.156 0.000 0.752 85 E HN 0.231 nan 8.360 nan 0.000 0.447 86 L N 0.726 122.022 121.223 0.122 0.000 2.013 86 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 86 L C 2.622 179.544 176.870 0.086 0.000 1.073 86 L CA 1.266 56.163 54.840 0.094 0.000 0.753 86 L CB -0.562 41.541 42.059 0.073 0.000 0.890 86 L HN 0.152 nan 8.230 nan 0.000 0.432 87 A N -0.821 122.051 122.820 0.088 0.000 1.933 87 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 87 A C 2.118 179.751 177.584 0.082 0.000 1.175 87 A CA 1.937 54.017 52.037 0.073 0.000 0.628 87 A CB -0.807 18.233 19.000 0.068 0.000 0.814 87 A HN 0.522 nan 8.150 nan 0.000 0.444 88 H N -0.434 118.654 119.070 0.030 0.000 2.293 88 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 88 H C 1.681 177.025 175.328 0.026 0.000 1.082 88 H CA 1.990 58.054 56.048 0.026 0.000 1.308 88 H CB -0.256 29.522 29.762 0.027 0.000 1.375 88 H HN 0.286 nan 8.280 nan 0.000 0.495 89 L N 0.187 121.426 121.223 0.026 0.000 2.079 89 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 89 L C 2.536 179.382 176.870 -0.041 0.000 1.081 89 L CA 1.428 56.256 54.840 -0.020 0.000 0.752 89 L CB -0.669 41.421 42.059 0.052 0.000 0.896 89 L HN 0.424 nan 8.230 nan 0.000 0.433 90 I N -1.575 118.989 120.570 -0.011 0.000 2.315 90 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 90 I C 2.264 178.360 176.117 -0.035 0.000 1.117 90 I CA 1.276 62.574 61.300 -0.003 0.000 1.404 90 I CB -0.518 37.493 38.000 0.018 0.000 1.071 90 I HN 0.262 nan 8.210 nan 0.000 0.419 91 T N 1.868 116.380 114.554 -0.070 0.000 2.668 91 T HA -0.123 4.226 4.350 -0.000 0.000 0.262 91 T C 1.929 176.568 174.700 -0.103 0.000 1.045 91 T CA 1.760 63.812 62.100 -0.079 0.000 1.152 91 T CB -0.331 68.489 68.868 -0.081 0.000 0.864 91 T HN 0.476 nan 8.240 nan 0.000 0.419 92 I N 0.018 120.475 120.570 -0.189 0.000 2.567 92 I HA -0.037 4.133 4.170 -0.000 0.000 0.257 92 I C 2.286 178.349 176.117 -0.090 0.000 1.184 92 I CA 1.725 62.929 61.300 -0.159 0.000 1.451 92 I CB -0.294 37.563 38.000 -0.238 0.000 1.089 92 I HN 0.265 nan 8.210 nan 0.000 0.441 93 E N 1.303 121.463 120.200 -0.066 0.000 2.201 93 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 93 E C 1.992 178.600 176.600 0.014 0.000 0.957 93 E CA 0.428 56.816 56.400 -0.020 0.000 0.858 93 E CB -0.001 29.696 29.700 -0.004 0.000 0.816 93 E HN 0.566 nan 8.360 nan 0.000 0.475 94 N N -0.730 117.981 118.700 0.018 0.000 2.439 94 N HA -0.006 4.734 4.740 -0.000 0.000 0.176 94 N C 1.299 176.830 175.510 0.034 0.000 1.029 94 N CA 1.523 54.610 53.050 0.062 0.000 0.886 94 N CB 1.211 39.727 38.487 0.047 0.000 1.057 94 N HN 0.297 nan 8.380 nan 0.000 0.437 95 G N 1.390 110.186 108.800 -0.007 0.000 2.339 95 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.209 95 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.209 95 G C -0.129 174.768 174.900 -0.005 0.000 1.015 95 G CA 0.249 45.341 45.100 -0.013 0.000 0.635 95 G HN 0.645 nan 8.290 nan 0.000 0.499 96 K N 1.987 122.373 120.400 -0.023 0.000 2.485 96 K HA 0.237 4.557 4.320 -0.000 0.000 0.277 96 K C 0.813 177.395 176.600 -0.031 0.000 0.990 96 K CA 0.278 56.540 56.287 -0.041 0.000 0.994 96 K CB 0.258 32.713 32.500 -0.075 0.000 0.906 96 K HN 0.745 nan 8.250 nan 0.000 0.488 97 N N 1.541 120.218 118.700 -0.038 0.000 2.297 97 N HA -0.074 4.666 4.740 -0.000 0.000 0.232 97 N C 0.237 175.735 175.510 -0.020 0.000 1.311 97 N CA -0.466 52.570 53.050 -0.023 0.000 0.897 97 N CB 0.403 38.870 38.487 -0.033 0.000 1.137 97 N HN 0.557 nan 8.380 nan 0.000 0.449 98 T N 0.037 114.592 114.554 0.001 0.000 2.685 98 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 98 T C 1.683 176.387 174.700 0.007 0.000 1.034 98 T CA 1.590 63.699 62.100 0.016 0.000 1.149 98 T CB -0.307 68.581 68.868 0.034 0.000 0.860 98 T HN 0.611 nan 8.240 nan 0.000 0.449 99 K N 0.900 121.295 120.400 -0.008 0.000 2.002 99 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 99 K C 2.318 178.908 176.600 -0.016 0.000 1.048 99 K CA 1.542 57.822 56.287 -0.011 0.000 0.930 99 K CB -0.050 32.436 32.500 -0.024 0.000 0.714 99 K HN 0.412 nan 8.250 nan 0.000 0.438 100 E N -0.032 120.144 120.200 -0.040 0.000 2.106 100 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 100 E C 2.007 178.610 176.600 0.005 0.000 0.984 100 E CA 0.946 57.327 56.400 -0.031 0.000 0.806 100 E CB -0.095 29.560 29.700 -0.075 0.000 0.750 100 E HN 0.439 nan 8.360 nan 0.000 0.458 101 A N 1.540 124.360 122.820 0.000 0.000 1.873 101 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 101 A C 2.151 179.752 177.584 0.030 0.000 1.186 101 A CA 0.904 52.952 52.037 0.018 0.000 0.616 101 A CB -0.515 18.492 19.000 0.011 0.000 0.823 101 A HN 0.138 nan 8.150 nan 0.000 0.442 102 L N 0.223 121.461 121.223 0.024 0.000 2.127 102 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 102 L C 2.504 179.386 176.870 0.020 0.000 1.089 102 L CA 1.829 56.684 54.840 0.023 0.000 0.757 102 L CB -1.399 40.672 42.059 0.021 0.000 0.899 102 L HN 0.405 nan 8.230 nan 0.000 0.434 103 G N -1.639 107.176 108.800 0.024 0.000 2.408 103 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 103 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 103 G C 1.538 176.459 174.900 0.034 0.000 1.150 103 G CA 0.642 45.758 45.100 0.027 0.000 0.776 103 G HN 0.478 nan 8.290 nan 0.000 0.542 104 E N 0.054 120.290 120.200 0.060 0.000 2.051 104 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 104 E C 2.669 179.275 176.600 0.011 0.000 0.991 104 E CA 1.066 57.508 56.400 0.070 0.000 0.799 104 E CB -0.076 29.712 29.700 0.146 0.000 0.748 104 E HN 0.227 nan 8.360 nan 0.000 0.449 105 V N 0.811 120.732 119.914 0.011 0.000 2.324 105 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 105 V C 2.405 178.475 176.094 -0.040 0.000 1.060 105 V CA 1.993 64.284 62.300 -0.015 0.000 1.042 105 V CB -1.067 30.756 31.823 0.001 0.000 0.650 105 V HN 0.509 nan 8.190 nan 0.000 0.450 106 G N 0.019 108.803 108.800 -0.026 0.000 2.418 106 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.217 106 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.217 106 G C 1.697 176.567 174.900 -0.051 0.000 1.158 106 G CA 0.613 45.692 45.100 -0.034 0.000 0.771 106 G HN 0.470 nan 8.290 nan 0.000 0.545 107 R N 0.275 120.745 120.500 -0.049 0.000 2.115 107 R HA 0.001 4.341 4.340 -0.000 0.000 0.226 107 R C 2.817 179.073 176.300 -0.073 0.000 1.100 107 R CA 0.895 56.957 56.100 -0.063 0.000 0.980 107 R CB -0.535 29.729 30.300 -0.060 0.000 0.875 107 R HN 0.350 nan 8.270 nan 0.000 0.445 108 G N 1.323 110.071 108.800 -0.088 0.000 2.448 108 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 108 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 108 G C 1.475 176.276 174.900 -0.164 0.000 1.135 108 G CA 0.187 45.216 45.100 -0.119 0.000 0.784 108 G HN 0.143 nan 8.290 nan 0.000 0.543 109 I N 0.292 120.770 120.570 -0.154 0.000 2.353 109 I HA -0.075 4.094 4.170 -0.000 0.000 0.248 109 I C 2.639 178.671 176.117 -0.141 0.000 1.119 109 I CA 0.811 61.998 61.300 -0.187 0.000 1.417 109 I CB -0.146 37.766 38.000 -0.148 0.000 1.078 109 I HN 0.218 nan 8.210 nan 0.000 0.421 110 E N 0.836 120.978 120.200 -0.097 0.000 2.118 110 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 110 E C 1.837 178.410 176.600 -0.046 0.000 0.992 110 E CA 0.969 57.328 56.400 -0.068 0.000 0.804 110 E CB -0.123 29.520 29.700 -0.095 0.000 0.741 110 E HN 0.488 nan 8.360 nan 0.000 0.458 111 N N 0.388 119.050 118.700 -0.063 0.000 2.120 111 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 111 N C 1.989 177.481 175.510 -0.030 0.000 1.024 111 N CA 1.053 54.094 53.050 -0.015 0.000 0.852 111 N CB -0.067 38.407 38.487 -0.022 0.000 1.003 111 N HN 0.035 nan 8.380 nan 0.000 0.424 112 V N 1.853 121.685 119.914 -0.137 0.000 2.358 112 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 112 V C 2.075 178.082 176.094 -0.145 0.000 1.047 112 V CA 1.491 63.690 62.300 -0.168 0.000 1.035 112 V CB -0.526 31.125 31.823 -0.285 0.000 0.658 112 V HN 0.280 nan 8.190 nan 0.000 0.452 113 E N -0.372 119.754 120.200 -0.124 0.000 2.085 113 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 113 E C 2.025 178.610 176.600 -0.025 0.000 0.994 113 E CA 1.791 58.117 56.400 -0.124 0.000 0.801 113 E CB -0.278 29.393 29.700 -0.049 0.000 0.743 113 E HN 0.678 nan 8.360 nan 0.000 0.453 114 F N 0.975 120.872 119.950 -0.088 0.000 2.134 114 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 114 F C 2.207 177.982 175.800 -0.040 0.000 1.097 114 F CA 1.109 59.090 58.000 -0.033 0.000 1.264 114 F CB 0.044 39.033 39.000 -0.017 0.000 1.001 114 F HN -0.024 nan 8.300 nan 0.000 0.479 115 A N 0.186 122.906 122.820 -0.165 0.000 2.066 115 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 115 A C 2.169 179.645 177.584 -0.178 0.000 1.157 115 A CA 1.079 52.976 52.037 -0.233 0.000 0.670 115 A CB -1.196 17.749 19.000 -0.092 0.000 0.804 115 A HN 0.470 nan 8.150 nan 0.000 0.453 116 A N -0.527 122.170 122.820 -0.206 0.000 2.121 116 A HA 0.227 4.547 4.320 -0.000 0.000 0.218 116 A C 1.887 179.411 177.584 -0.100 0.000 1.154 116 A CA 1.269 53.151 52.037 -0.258 0.000 0.679 116 A CB -0.694 17.834 19.000 -0.786 0.000 0.795 116 A HN 0.728 nan 8.150 nan 0.000 0.458 117 G N -1.258 107.466 108.800 -0.127 0.000 3.383 117 G HA2 0.362 4.322 3.960 -0.000 0.000 0.251 117 G HA3 0.362 4.322 3.960 -0.000 0.000 0.251 117 G C 1.156 175.999 174.900 -0.094 0.000 1.203 117 G CA 0.713 45.780 45.100 -0.054 0.000 0.852 117 G HN 0.566 nan 8.290 nan 0.000 0.531 118 A N 1.942 124.706 122.820 -0.094 0.000 1.948 118 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 118 A C 0.625 178.184 177.584 -0.042 0.000 1.177 118 A CA 1.692 53.681 52.037 -0.081 0.000 0.636 118 A CB -0.939 18.041 19.000 -0.032 0.000 0.815 118 A HN 0.375 nan 8.150 nan 0.000 0.449 119 P HA -0.139 nan 4.420 nan 0.000 0.215 119 P C 1.758 179.047 177.300 -0.018 0.000 1.163 119 P CA 1.983 65.076 63.100 -0.011 0.000 0.894 119 P CB -0.127 31.578 31.700 0.009 0.000 0.791 120 S N -1.135 114.555 115.700 -0.016 0.000 2.406 120 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 120 S C 1.755 176.339 174.600 -0.026 0.000 1.020 120 S CA 0.816 59.006 58.200 -0.017 0.000 0.965 120 S CB -0.982 62.213 63.200 -0.010 0.000 0.798 120 S HN 0.092 nan 8.310 nan 0.000 0.488 121 L N 0.636 121.830 121.223 -0.048 0.000 2.275 121 L HA 0.030 4.370 4.340 -0.000 0.000 0.215 121 L C 2.066 178.922 176.870 -0.025 0.000 1.119 121 L CA 0.884 55.692 54.840 -0.053 0.000 0.790 121 L CB -0.386 41.590 42.059 -0.138 0.000 0.919 121 L HN 0.357 nan 8.230 nan 0.000 0.443 122 M N -1.324 118.261 119.600 -0.026 0.000 2.502 122 M HA 0.089 4.569 4.480 -0.000 0.000 0.243 122 M C 0.468 176.753 176.300 -0.025 0.000 1.130 122 M CA 0.123 55.412 55.300 -0.019 0.000 1.055 122 M CB 0.227 32.809 32.600 -0.030 0.000 1.457 122 M HN 0.141 nan 8.290 nan 0.000 0.488 123 M N 1.050 120.634 119.600 -0.027 0.000 2.284 123 M HA 0.078 4.558 4.480 -0.000 0.000 0.351 123 M C 0.859 177.126 176.300 -0.055 0.000 1.443 123 M CA 0.035 55.312 55.300 -0.038 0.000 1.031 123 M CB -0.094 32.487 32.600 -0.032 0.000 1.893 123 M HN 0.133 nan 8.290 nan 0.000 0.456 124 G N 2.453 111.191 108.800 -0.103 0.000 2.532 124 G HA2 0.359 4.319 3.960 -0.000 0.000 0.291 124 G HA3 0.359 4.319 3.960 -0.000 0.000 0.291 124 G C -0.796 174.016 174.900 -0.146 0.000 1.349 124 G CA -0.696 44.322 45.100 -0.137 0.000 1.038 124 G HN 0.642 nan 8.290 nan 0.000 0.518 125 D N -0.227 120.083 120.400 -0.149 0.000 2.181 125 D HA 0.525 5.165 4.640 -0.000 0.000 0.248 125 D C -0.135 176.076 176.300 -0.149 0.000 1.020 125 D CA 0.049 53.980 54.000 -0.115 0.000 0.891 125 D CB 1.726 42.484 40.800 -0.071 0.000 1.187 125 D HN 0.414 nan 8.370 nan 0.000 0.443 126 S N 1.097 116.735 115.700 -0.103 0.000 2.548 126 S HA 0.640 5.109 4.470 -0.000 0.000 0.276 126 S C -1.223 173.352 174.600 -0.041 0.000 1.129 126 S CA -0.917 57.231 58.200 -0.087 0.000 0.931 126 S CB 1.543 64.691 63.200 -0.088 0.000 1.068 126 S HN 0.167 nan 8.310 nan 0.000 0.480 127 L N 2.126 123.334 121.223 -0.024 0.000 2.386 127 L HA 0.764 5.104 4.340 -0.000 0.000 0.271 127 L C 1.113 177.987 176.870 0.008 0.000 0.993 127 L CA -0.560 54.275 54.840 -0.008 0.000 0.819 127 L CB 1.506 43.560 42.059 -0.010 0.000 1.294 127 L HN 1.004 nan 8.230 nan 0.000 0.414 128 A N 2.152 124.981 122.820 0.014 0.000 1.929 128 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 128 A C 0.535 178.136 177.584 0.028 0.000 1.176 128 A CA 0.971 53.025 52.037 0.028 0.000 0.628 128 A CB -0.002 19.014 19.000 0.027 0.000 0.816 128 A HN 0.607 nan 8.150 nan 0.000 0.444 129 S N -1.400 114.309 115.700 0.016 0.000 2.689 129 S HA 0.435 4.905 4.470 -0.000 0.000 0.274 129 S C 0.255 174.857 174.600 0.003 0.000 1.176 129 S CA -0.273 57.934 58.200 0.012 0.000 1.014 129 S CB 1.369 64.578 63.200 0.016 0.000 1.071 129 S HN 0.502 nan 8.310 nan 0.000 0.478 130 I N -0.671 119.897 120.570 -0.003 0.000 4.057 130 I HA 0.772 4.942 4.170 -0.000 0.000 0.334 130 I C 0.440 176.554 176.117 -0.006 0.000 1.308 130 I CA -0.286 61.011 61.300 -0.005 0.000 1.125 130 I CB 0.259 38.253 38.000 -0.009 0.000 1.034 130 I HN 0.537 nan 8.210 nan 0.000 0.401 131 A N 0.469 123.285 122.820 -0.006 0.000 2.586 131 A HA 0.563 4.883 4.320 -0.000 0.000 0.290 131 A C -0.300 177.282 177.584 -0.003 0.000 1.086 131 A CA -0.459 51.574 52.037 -0.006 0.000 0.665 131 A CB 0.409 19.402 19.000 -0.012 0.000 1.279 131 A HN 0.060 nan 8.150 nan 0.000 0.423 132 T N 2.287 116.841 114.554 0.000 0.000 2.831 132 T HA 0.318 4.668 4.350 -0.000 0.000 0.291 132 T C -0.032 174.671 174.700 0.005 0.000 0.981 132 T CA 1.842 63.946 62.100 0.006 0.000 1.174 132 T CB -0.234 68.638 68.868 0.007 0.000 0.929 132 T HN 0.672 nan 8.240 nan 0.000 0.532 133 D N 0.505 120.915 120.400 0.016 0.000 3.077 133 D HA -0.144 4.496 4.640 -0.000 0.000 0.217 133 D C -0.339 175.954 176.300 -0.011 0.000 1.162 133 D CA 0.727 54.741 54.000 0.023 0.000 0.943 133 D CB -1.237 39.578 40.800 0.026 0.000 1.122 133 D HN 0.396 nan 8.370 nan 0.000 0.413 134 V N 0.922 120.821 119.914 -0.024 0.000 2.487 134 V HA 0.404 4.524 4.120 -0.000 0.000 0.298 134 V C 0.443 176.515 176.094 -0.038 0.000 1.028 134 V CA -0.764 61.499 62.300 -0.063 0.000 0.860 134 V CB 2.143 33.931 31.823 -0.059 0.000 0.991 134 V HN 0.100 nan 8.190 nan 0.000 0.427 135 E N 4.001 124.170 120.200 -0.051 0.000 2.281 135 E HA 0.934 5.284 4.350 -0.000 0.000 0.262 135 E C -0.742 175.850 176.600 -0.014 0.000 0.933 135 E CA -1.163 55.233 56.400 -0.006 0.000 0.809 135 E CB 2.751 32.481 29.700 0.049 0.000 1.242 135 E HN 0.746 nan 8.360 nan 0.000 0.418 136 A N 0.523 123.346 122.820 0.004 0.000 2.547 136 A HA 0.786 5.106 4.320 -0.000 0.000 0.297 136 A C -1.495 176.083 177.584 -0.009 0.000 1.056 136 A CA -0.160 51.880 52.037 0.004 0.000 0.688 136 A CB 1.868 20.864 19.000 -0.007 0.000 1.282 136 A HN 0.951 nan 8.150 nan 0.000 0.400 137 A N 2.076 124.888 122.820 -0.013 0.000 2.594 137 A HA 0.761 5.081 4.320 -0.000 0.000 0.296 137 A C -1.317 176.153 177.584 -0.191 0.000 1.061 137 A CA -0.535 51.416 52.037 -0.142 0.000 0.689 137 A CB 1.217 20.096 19.000 -0.202 0.000 1.280 137 A HN 1.679 nan 8.150 nan 0.000 0.406 138 N N -0.089 118.421 118.700 -0.316 0.000 2.362 138 N HA 0.795 5.535 4.740 -0.000 0.000 0.299 138 N C -1.420 173.835 175.510 -0.425 0.000 1.170 138 N CA -0.427 52.524 53.050 -0.166 0.000 0.825 138 N CB 0.898 39.374 38.487 -0.019 0.000 1.299 138 N HN 0.475 nan 8.380 nan 0.000 0.502 139 Y N -1.165 119.181 120.300 0.077 0.000 2.576 139 Y HA 0.532 5.082 4.550 -0.000 0.000 0.346 139 Y C 0.349 176.232 175.900 -0.029 0.000 1.018 139 Y CA -0.972 57.117 58.100 -0.018 0.000 1.050 139 Y CB 1.772 40.182 38.460 -0.083 0.000 1.280 139 Y HN 0.218 nan 8.280 nan 0.000 0.474 140 R N 0.992 121.478 120.500 -0.024 0.000 2.474 140 R HA 0.586 4.925 4.340 -0.000 0.000 0.295 140 R C -1.722 174.432 176.300 -0.244 0.000 0.980 140 R CA -0.806 55.286 56.100 -0.013 0.000 0.934 140 R CB 1.128 31.434 30.300 0.010 0.000 1.101 140 R HN 0.657 nan 8.270 nan 0.000 0.469 141 Y N 1.564 121.930 120.300 0.110 0.000 2.553 141 Y HA 0.361 4.911 4.550 -0.000 0.000 0.347 141 Y C -2.052 173.932 175.900 0.139 0.000 1.019 141 Y CA -2.591 55.574 58.100 0.109 0.000 1.032 141 Y CB 1.856 40.377 38.460 0.101 0.000 1.284 141 Y HN 0.467 nan 8.280 nan 0.000 0.466 142 P HA 0.192 nan 4.420 nan 0.000 0.274 142 P C 0.392 177.875 177.300 0.305 0.000 1.246 142 P CA -0.001 63.296 63.100 0.328 0.000 0.795 142 P CB 1.340 33.304 31.700 0.440 0.000 1.006 143 I N -3.279 117.375 120.570 0.141 0.000 3.968 143 I HA 0.380 4.550 4.170 -0.000 0.000 0.328 143 I C 1.088 177.033 176.117 -0.287 0.000 1.290 143 I CA 0.051 61.350 61.300 -0.002 0.000 1.163 143 I CB -0.259 37.724 38.000 -0.028 0.000 1.024 143 I HN 0.534 nan 8.210 nan 0.000 0.413 144 G N 1.429 109.819 108.800 -0.684 0.000 2.254 144 G HA2 -0.084 3.875 3.960 -0.000 0.000 0.193 144 G HA3 -0.084 3.875 3.960 -0.000 0.000 0.193 144 G C -0.759 173.664 174.900 -0.795 0.000 1.233 144 G CA -0.266 43.911 45.100 -1.539 0.000 1.290 144 G HN -0.006 nan 8.290 nan 0.000 0.517 145 V N 1.176 120.804 119.914 -0.476 0.000 2.465 145 V HA 0.616 4.736 4.120 -0.000 0.000 0.279 145 V C 0.421 176.394 176.094 -0.203 0.000 1.045 145 V CA -0.526 61.621 62.300 -0.256 0.000 0.938 145 V CB 1.204 32.893 31.823 -0.224 0.000 0.986 145 V HN 0.746 nan 8.190 nan 0.000 0.467 146 V N 3.517 123.312 119.914 -0.197 0.000 2.513 146 V HA 0.772 4.892 4.120 -0.000 0.000 0.299 146 V C 0.633 176.388 176.094 -0.565 0.000 1.035 146 V CA -0.349 61.815 62.300 -0.226 0.000 0.889 146 V CB 1.923 33.704 31.823 -0.070 0.000 0.988 146 V HN 0.975 nan 8.190 nan 0.000 0.440 147 G N 1.948 110.542 108.800 -0.343 0.000 2.388 147 G HA2 0.675 4.634 3.960 -0.000 0.000 0.330 147 G HA3 0.675 4.634 3.960 -0.000 0.000 0.330 147 G C -0.295 174.491 174.900 -0.191 0.000 1.142 147 G CA -0.422 44.460 45.100 -0.363 0.000 0.908 147 G HN 1.079 nan 8.290 nan 0.000 0.473 148 G N 0.135 108.851 108.800 -0.141 0.000 2.617 148 G HA2 0.593 4.553 3.960 -0.000 0.000 0.306 148 G HA3 0.593 4.553 3.960 -0.000 0.000 0.306 148 G C -0.952 174.107 174.900 0.264 0.000 1.360 148 G CA -0.628 44.650 45.100 0.297 0.000 0.983 148 G HN 0.651 nan 8.290 nan 0.000 0.496 149 I N 1.718 122.436 120.570 0.247 0.000 2.439 149 I HA 0.546 4.716 4.170 -0.000 0.000 0.285 149 I C 0.334 176.454 176.117 0.005 0.000 1.021 149 I CA -0.760 60.646 61.300 0.177 0.000 1.091 149 I CB 2.003 40.206 38.000 0.338 0.000 1.242 149 I HN 0.578 nan 8.210 nan 0.000 0.439 150 A N 8.703 131.549 122.820 0.042 0.000 2.320 150 A HA 0.940 5.260 4.320 -0.000 0.000 0.334 150 A C -2.629 174.937 177.584 -0.031 0.000 1.147 150 A CA -1.550 50.469 52.037 -0.029 0.000 0.820 150 A CB 1.087 20.114 19.000 0.045 0.000 1.218 150 A HN 0.431 nan 8.150 nan 0.000 0.482 151 P HA 0.327 nan 4.420 nan 0.000 0.281 151 P C 0.154 177.458 177.300 0.007 0.000 1.281 151 P CA -0.452 62.620 63.100 -0.047 0.000 0.811 151 P CB 0.692 32.298 31.700 -0.157 0.000 1.154 152 F N 0.611 120.577 119.950 0.026 0.000 2.512 152 F HA 0.036 4.563 4.527 -0.000 0.000 0.296 152 F C 1.690 177.483 175.800 -0.012 0.000 1.110 152 F CA 0.553 58.569 58.000 0.027 0.000 1.446 152 F CB -1.405 37.618 39.000 0.039 0.000 1.092 152 F HN 0.115 nan 8.300 nan 0.000 0.554 153 N N 0.777 118.794 118.700 -1.139 0.000 2.381 153 N HA -0.183 4.557 4.740 -0.000 0.000 0.182 153 N C -0.259 174.766 175.510 -0.809 0.000 1.025 153 N CA 0.933 53.375 53.050 -1.015 0.000 0.888 153 N CB -0.676 37.281 38.487 -0.884 0.000 0.965 153 N HN 0.445 nan 8.380 nan 0.000 0.438 154 F N 0.740 120.532 119.950 -0.263 0.000 2.769 154 F HA 0.375 4.902 4.527 -0.000 0.000 0.358 154 F C -1.699 174.002 175.800 -0.164 0.000 1.285 154 F CA -1.929 55.940 58.000 -0.218 0.000 1.199 154 F CB 2.000 40.803 39.000 -0.329 0.000 1.558 154 F HN -0.163 nan 8.300 nan 0.000 0.583 155 P HA -0.201 nan 4.420 nan 0.000 0.223 155 P C 1.166 178.518 177.300 0.088 0.000 1.144 155 P CA 1.540 64.689 63.100 0.082 0.000 0.783 155 P CB 0.529 32.282 31.700 0.087 0.000 0.771 156 M N -2.361 117.279 119.600 0.066 0.000 3.049 156 M HA 0.150 4.630 4.480 -0.000 0.000 0.234 156 M C 2.338 178.602 176.300 -0.060 0.000 1.632 156 M CA 0.272 55.599 55.300 0.044 0.000 1.259 156 M CB -0.214 32.411 32.600 0.041 0.000 1.199 156 M HN -0.298 nan 8.290 nan 0.000 0.580 157 M N 0.558 120.078 119.600 -0.134 0.000 2.082 157 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 157 M C 1.698 177.563 176.300 -0.725 0.000 1.071 157 M CA 2.156 57.247 55.300 -0.349 0.000 1.103 157 M CB -0.270 32.051 32.600 -0.466 0.000 1.307 157 M HN 0.266 nan 8.290 nan 0.000 0.409 158 V N 0.944 120.299 119.914 -0.933 0.000 2.332 158 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 158 V C -0.696 175.077 176.094 -0.535 0.000 1.055 158 V CA 2.117 63.628 62.300 -1.314 0.000 1.038 158 V CB -2.107 29.167 31.823 -0.916 0.000 0.651 158 V HN 0.394 nan 8.190 nan 0.000 0.450 159 P HA -0.096 nan 4.420 nan 0.000 0.217 159 P C 1.718 178.972 177.300 -0.078 0.000 1.150 159 P CA 1.420 64.582 63.100 0.104 0.000 0.832 159 P CB -0.176 31.710 31.700 0.310 0.000 0.787 160 C N -2.728 116.426 119.300 -0.243 0.000 2.437 160 C HA -0.046 4.414 4.460 -0.000 0.000 0.283 160 C C 2.167 177.021 174.990 -0.226 0.000 1.424 160 C CA 0.127 58.861 59.018 -0.474 0.000 1.782 160 C CB -2.091 25.472 27.740 -0.296 0.000 1.833 160 C HN 0.333 nan 8.230 nan 0.000 0.532 161 W N 0.674 121.821 121.300 -0.255 0.000 2.436 161 W HA 0.039 4.699 4.660 -0.000 0.000 0.284 161 W C 2.215 178.716 176.519 -0.030 0.000 1.225 161 W CA 0.790 58.048 57.345 -0.146 0.000 1.271 161 W CB -0.928 28.450 29.460 -0.137 0.000 1.114 161 W HN 0.384 nan 8.180 nan 0.000 0.559 162 M N -1.504 118.207 119.600 0.185 0.000 2.530 162 M HA 0.055 4.535 4.480 -0.000 0.000 0.245 162 M C 2.117 178.300 176.300 -0.195 0.000 1.198 162 M CA 1.187 56.636 55.300 0.248 0.000 1.225 162 M CB -1.364 31.519 32.600 0.471 0.000 1.232 162 M HN -0.111 nan 8.290 nan 0.000 0.494 163 F N 0.856 120.375 119.950 -0.719 0.000 2.186 163 F HA 0.127 4.654 4.527 -0.000 0.000 0.299 163 F C -0.974 174.546 175.800 -0.468 0.000 1.090 163 F CA 0.391 57.730 58.000 -1.101 0.000 1.307 163 F CB -2.855 35.316 39.000 -1.381 0.000 1.019 163 F HN 0.013 nan 8.300 nan 0.000 0.489 164 P HA -0.215 nan 4.420 nan 0.000 0.214 164 P C 1.966 179.218 177.300 -0.080 0.000 1.163 164 P CA 1.915 64.812 63.100 -0.339 0.000 0.883 164 P CB -0.148 31.284 31.700 -0.446 0.000 0.788 165 M N -0.205 119.358 119.600 -0.061 0.000 2.132 165 M HA -0.034 4.446 4.480 -0.000 0.000 0.263 165 M C 1.926 178.278 176.300 0.087 0.000 1.065 165 M CA 1.858 57.198 55.300 0.067 0.000 1.122 165 M CB -1.368 31.350 32.600 0.197 0.000 1.365 165 M HN -0.156 nan 8.290 nan 0.000 0.411 166 A N 0.146 122.906 122.820 -0.100 0.000 1.902 166 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 166 A C 2.225 179.844 177.584 0.058 0.000 1.181 166 A CA 1.988 53.843 52.037 -0.304 0.000 0.623 166 A CB -1.110 17.485 19.000 -0.675 0.000 0.818 166 A HN 0.604 nan 8.150 nan 0.000 0.443 167 I N -0.397 120.244 120.570 0.118 0.000 2.252 167 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 167 I C 2.906 179.310 176.117 0.478 0.000 1.102 167 I CA 0.966 62.439 61.300 0.289 0.000 1.385 167 I CB -0.291 37.785 38.000 0.127 0.000 1.064 167 I HN 0.359 nan 8.210 nan 0.000 0.414 168 A N 0.676 123.679 122.820 0.305 0.000 2.019 168 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 168 A C 2.135 179.820 177.584 0.169 0.000 1.164 168 A CA 1.178 53.370 52.037 0.259 0.000 0.644 168 A CB -0.665 18.422 19.000 0.145 0.000 0.805 168 A HN 0.433 nan 8.150 nan 0.000 0.449 169 L N -1.500 119.827 121.223 0.173 0.000 2.599 169 L HA 0.197 4.537 4.340 -0.000 0.000 0.230 169 L C 1.670 178.628 176.870 0.146 0.000 1.141 169 L CA 0.575 55.497 54.840 0.135 0.000 0.877 169 L CB -0.099 42.064 42.059 0.174 0.000 1.009 169 L HN 0.578 nan 8.230 nan 0.000 0.447 170 G N -0.532 108.396 108.800 0.213 0.000 2.184 170 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.206 170 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.206 170 G C 0.017 175.233 174.900 0.527 0.000 0.995 170 G CA -0.189 45.013 45.100 0.169 0.000 0.651 170 G HN 0.455 nan 8.290 nan 0.000 0.511 171 N N 0.844 119.856 118.700 0.520 0.000 2.463 171 N HA 0.604 5.344 4.740 -0.000 0.000 0.270 171 N C 0.437 176.234 175.510 0.479 0.000 1.205 171 N CA 0.434 53.776 53.050 0.487 0.000 0.974 171 N CB 0.873 39.485 38.487 0.209 0.000 1.197 171 N HN 0.388 nan 8.380 nan 0.000 0.504 172 T N -2.364 112.390 114.554 0.333 0.000 2.952 172 T HA 0.614 4.964 4.350 -0.000 0.000 0.286 172 T C -0.924 173.885 174.700 0.181 0.000 1.024 172 T CA -0.660 61.554 62.100 0.190 0.000 1.029 172 T CB 0.740 69.698 68.868 0.151 0.000 1.094 172 T HN 0.317 nan 8.240 nan 0.000 0.515 173 F N 0.245 120.198 119.950 0.005 0.000 2.576 173 F HA 0.711 5.238 4.527 -0.000 0.000 0.313 173 F C -1.312 174.503 175.800 0.025 0.000 1.078 173 F CA -1.432 56.601 58.000 0.055 0.000 0.921 173 F CB 1.748 40.849 39.000 0.169 0.000 1.232 173 F HN 0.538 nan 8.300 nan 0.000 0.459 174 I N 6.550 126.925 120.570 -0.326 0.000 2.439 174 I HA 0.311 4.481 4.170 -0.000 0.000 0.283 174 I C -1.475 174.557 176.117 -0.141 0.000 1.023 174 I CA -0.860 60.332 61.300 -0.181 0.000 1.100 174 I CB 1.754 39.618 38.000 -0.228 0.000 1.238 174 I HN 0.339 nan 8.210 nan 0.000 0.445 175 L N 7.541 128.847 121.223 0.138 0.000 2.317 175 L HA 0.476 4.815 4.340 -0.000 0.000 0.281 175 L C -0.361 176.544 176.870 0.058 0.000 1.024 175 L CA -0.079 54.923 54.840 0.269 0.000 0.810 175 L CB 1.244 43.560 42.059 0.428 0.000 1.240 175 L HN 0.455 nan 8.230 nan 0.000 0.427 176 K N 7.276 127.743 120.400 0.111 0.000 2.484 176 K HA 0.438 4.757 4.320 -0.000 0.000 0.226 176 K C -2.570 174.111 176.600 0.135 0.000 1.031 176 K CA -1.865 54.472 56.287 0.082 0.000 1.026 176 K CB 0.913 33.481 32.500 0.112 0.000 1.412 176 K HN 0.469 nan 8.250 nan 0.000 0.492 177 P HA -0.070 nan 4.420 nan 0.000 0.272 177 P C -0.258 177.173 177.300 0.219 0.000 1.254 177 P CA -0.245 62.971 63.100 0.193 0.000 0.795 177 P CB 0.637 32.483 31.700 0.244 0.000 1.022 178 S N 0.394 116.215 115.700 0.201 0.000 2.488 178 S HA 0.002 4.472 4.470 -0.000 0.000 0.278 178 S C 1.512 176.229 174.600 0.194 0.000 1.259 178 S CA -0.510 57.808 58.200 0.197 0.000 1.061 178 S CB -0.289 63.037 63.200 0.211 0.000 0.910 178 S HN 0.462 nan 8.310 nan 0.000 0.491 179 E N 5.699 126.000 120.200 0.168 0.000 2.396 179 E HA -0.197 4.153 4.350 -0.000 0.000 0.200 179 E C 1.258 177.900 176.600 0.070 0.000 1.023 179 E CA 1.006 57.476 56.400 0.117 0.000 0.857 179 E CB -0.131 29.622 29.700 0.089 0.000 0.775 179 E HN 0.754 nan 8.360 nan 0.000 0.525 180 R N 0.486 121.040 120.500 0.090 0.000 2.173 180 R HA 0.037 4.377 4.340 -0.000 0.000 0.208 180 R C 0.878 177.222 176.300 0.073 0.000 1.035 180 R CA 1.400 57.529 56.100 0.049 0.000 1.004 180 R CB 0.311 30.612 30.300 0.001 0.000 0.917 180 R HN 0.266 nan 8.270 nan 0.000 0.462 181 T N -1.813 112.817 114.554 0.126 0.000 3.585 181 T HA 0.266 4.616 4.350 -0.000 0.000 0.252 181 T C -2.196 172.583 174.700 0.133 0.000 1.382 181 T CA -1.452 60.720 62.100 0.120 0.000 1.584 181 T CB 1.447 70.409 68.868 0.157 0.000 0.892 181 T HN -0.085 nan 8.240 nan 0.000 0.671 182 P HA 0.131 nan 4.420 nan 0.000 0.226 182 P C 1.671 179.062 177.300 0.152 0.000 1.161 182 P CA 0.072 63.267 63.100 0.158 0.000 0.804 182 P CB 0.271 31.884 31.700 -0.145 0.000 0.829 183 L N -0.396 120.858 121.223 0.052 0.000 2.043 183 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 183 L C 2.729 179.658 176.870 0.098 0.000 1.075 183 L CA 1.135 56.002 54.840 0.045 0.000 0.752 183 L CB -1.127 40.936 42.059 0.008 0.000 0.891 183 L HN 0.005 nan 8.230 nan 0.000 0.432 184 L N -0.201 121.090 121.223 0.114 0.000 2.017 184 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 184 L C 2.448 179.422 176.870 0.174 0.000 1.073 184 L CA 2.192 57.108 54.840 0.125 0.000 0.745 184 L CB -1.041 41.086 42.059 0.114 0.000 0.894 184 L HN 0.285 nan 8.230 nan 0.000 0.432 185 T N -0.270 114.415 114.554 0.219 0.000 2.803 185 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 185 T C 1.718 176.572 174.700 0.257 0.000 1.052 185 T CA 1.574 63.821 62.100 0.245 0.000 1.136 185 T CB -0.094 68.918 68.868 0.240 0.000 0.864 185 T HN 0.438 nan 8.240 nan 0.000 0.467 186 E N 0.477 120.851 120.200 0.291 0.000 2.110 186 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 186 E C 2.286 179.023 176.600 0.227 0.000 0.988 186 E CA 0.868 57.450 56.400 0.302 0.000 0.804 186 E CB 0.073 29.828 29.700 0.090 0.000 0.745 186 E HN 0.083 nan 8.360 nan 0.000 0.458 187 K N 0.573 121.068 120.400 0.158 0.000 2.103 187 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 187 K C 2.203 178.910 176.600 0.179 0.000 1.052 187 K CA 0.633 56.992 56.287 0.120 0.000 0.945 187 K CB -0.293 32.256 32.500 0.081 0.000 0.722 187 K HN 0.239 nan 8.250 nan 0.000 0.443 188 L N 0.373 121.743 121.223 0.245 0.000 2.012 188 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 188 L C 2.421 179.523 176.870 0.387 0.000 1.073 188 L CA 0.970 56.037 54.840 0.378 0.000 0.748 188 L CB -0.674 41.656 42.059 0.452 0.000 0.891 188 L HN -0.110 nan 8.230 nan 0.000 0.431 189 V N 0.039 120.103 119.914 0.250 0.000 2.255 189 V HA -0.343 3.777 4.120 -0.000 0.000 0.247 189 V C 2.544 178.628 176.094 -0.016 0.000 1.051 189 V CA 2.210 64.499 62.300 -0.019 0.000 1.018 189 V CB -0.579 30.970 31.823 -0.457 0.000 0.641 189 V HN 0.545 nan 8.190 nan 0.000 0.445 190 E N 0.135 120.400 120.200 0.108 0.000 2.049 190 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 190 E C 2.176 178.860 176.600 0.139 0.000 1.007 190 E CA 1.959 58.435 56.400 0.127 0.000 0.809 190 E CB -0.209 29.568 29.700 0.128 0.000 0.749 190 E HN 0.593 nan 8.360 nan 0.000 0.450 191 L N -0.065 121.276 121.223 0.197 0.000 2.201 191 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 191 L C 2.505 179.620 176.870 0.408 0.000 1.105 191 L CA 0.726 55.738 54.840 0.286 0.000 0.775 191 L CB -0.368 41.877 42.059 0.311 0.000 0.913 191 L HN 0.245 nan 8.230 nan 0.000 0.440 192 F N 0.562 120.548 119.950 0.060 0.000 2.456 192 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 192 F C 2.526 178.222 175.800 -0.174 0.000 1.104 192 F CA 0.525 58.302 58.000 -0.371 0.000 1.435 192 F CB 0.393 38.950 39.000 -0.739 0.000 1.078 192 F HN 0.170 nan 8.300 nan 0.000 0.546 193 E N 0.737 120.980 120.200 0.072 0.000 2.076 193 E HA -0.183 4.166 4.350 -0.000 0.000 0.190 193 E C 1.972 178.615 176.600 0.071 0.000 0.979 193 E CA 0.792 57.197 56.400 0.009 0.000 0.807 193 E CB 0.079 29.791 29.700 0.018 0.000 0.761 193 E HN 0.304 nan 8.360 nan 0.000 0.454 194 K N 0.203 120.680 120.400 0.129 0.000 2.097 194 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 194 K C 2.104 178.802 176.600 0.163 0.000 1.049 194 K CA 0.939 57.312 56.287 0.144 0.000 0.933 194 K CB -0.107 32.493 32.500 0.167 0.000 0.717 194 K HN 0.130 nan 8.250 nan 0.000 0.442 195 A N 0.377 123.330 122.820 0.221 0.000 2.076 195 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 195 A C 1.572 179.256 177.584 0.167 0.000 1.160 195 A CA 1.727 53.917 52.037 0.255 0.000 0.653 195 A CB -0.440 18.808 19.000 0.414 0.000 0.801 195 A HN 0.490 nan 8.150 nan 0.000 0.455 196 G N -2.745 106.108 108.800 0.088 0.000 2.175 196 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.182 196 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.182 196 G C -0.036 174.843 174.900 -0.035 0.000 1.003 196 G CA -0.032 45.097 45.100 0.048 0.000 0.666 196 G HN 0.767 nan 8.290 nan 0.000 0.506 197 L N 3.460 124.569 121.223 -0.190 0.000 2.513 197 L HA 0.472 4.812 4.340 -0.000 0.000 0.272 197 L C -0.811 175.885 176.870 -0.290 0.000 1.187 197 L CA -1.496 53.086 54.840 -0.432 0.000 0.895 197 L CB 0.000 41.485 42.059 -0.957 0.000 1.147 197 L HN 0.126 nan 8.230 nan 0.000 0.483 198 P HA 0.091 nan 4.420 nan 0.000 0.272 198 P C -1.258 175.930 177.300 -0.186 0.000 1.240 198 P CA -0.609 62.410 63.100 -0.135 0.000 0.791 198 P CB 0.302 31.992 31.700 -0.016 0.000 0.978 199 K N -0.265 120.062 120.400 -0.122 0.000 2.414 199 K HA 0.237 4.557 4.320 -0.000 0.000 0.272 199 K C 0.968 177.463 176.600 -0.175 0.000 0.993 199 K CA 0.245 56.440 56.287 -0.152 0.000 0.964 199 K CB -0.771 31.650 32.500 -0.132 0.000 0.925 199 K HN 0.732 nan 8.250 nan 0.000 0.487 200 G N 1.051 109.715 108.800 -0.225 0.000 2.189 200 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.267 200 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.267 200 G C 0.615 175.405 174.900 -0.183 0.000 0.975 200 G CA 0.354 45.325 45.100 -0.213 0.000 0.644 200 G HN 0.440 nan 8.290 nan 0.000 0.537 201 V N -0.821 118.945 119.914 -0.247 0.000 2.599 201 V HA 0.372 4.492 4.120 -0.000 0.000 0.245 201 V C 0.929 176.927 176.094 -0.160 0.000 1.046 201 V CA 1.598 63.689 62.300 -0.349 0.000 1.065 201 V CB -0.088 31.229 31.823 -0.842 0.000 0.703 201 V HN 0.453 nan 8.190 nan 0.000 0.464 202 F N 2.629 122.384 119.950 -0.326 0.000 2.434 202 F HA 0.539 5.066 4.527 -0.000 0.000 0.355 202 F C -0.400 175.326 175.800 -0.125 0.000 1.115 202 F CA -1.774 56.088 58.000 -0.230 0.000 1.010 202 F CB 0.397 39.171 39.000 -0.376 0.000 1.234 202 F HN 0.040 nan 8.300 nan 0.000 0.439 203 N N 4.948 123.537 118.700 -0.186 0.000 2.362 203 N HA 0.520 5.259 4.740 -0.000 0.000 0.298 203 N C -1.453 173.799 175.510 -0.431 0.000 1.048 203 N CA -0.478 52.371 53.050 -0.333 0.000 0.858 203 N CB 2.903 41.231 38.487 -0.265 0.000 1.218 203 N HN 0.263 nan 8.380 nan 0.000 0.488 204 V N 2.140 121.766 119.914 -0.479 0.000 2.407 204 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 204 V C -0.216 175.644 176.094 -0.389 0.000 1.018 204 V CA -0.715 61.294 62.300 -0.484 0.000 0.842 204 V CB 1.812 33.254 31.823 -0.635 0.000 0.996 204 V HN 0.336 nan 8.190 nan 0.000 0.426 205 V N 5.965 125.702 119.914 -0.295 0.000 2.304 205 V HA 0.410 4.530 4.120 -0.000 0.000 0.278 205 V C -0.524 175.505 176.094 -0.109 0.000 1.018 205 V CA -0.780 61.418 62.300 -0.170 0.000 0.814 205 V CB 0.871 32.644 31.823 -0.085 0.000 1.021 205 V HN 0.726 nan 8.190 nan 0.000 0.440 206 Y N 3.121 123.452 120.300 0.052 0.000 2.397 206 Y HA 0.620 5.170 4.550 -0.000 0.000 0.335 206 Y C 1.231 177.146 175.900 0.025 0.000 1.213 206 Y CA 1.371 59.503 58.100 0.053 0.000 1.391 206 Y CB 1.329 39.826 38.460 0.062 0.000 1.293 206 Y HN 0.831 nan 8.280 nan 0.000 0.557 207 G N -0.450 108.480 108.800 0.216 0.000 2.398 207 G HA2 0.455 4.415 3.960 -0.000 0.000 0.251 207 G HA3 0.455 4.415 3.960 -0.000 0.000 0.251 207 G C -1.152 173.820 174.900 0.120 0.000 1.277 207 G CA -0.104 45.065 45.100 0.114 0.000 0.927 207 G HN 0.896 nan 8.290 nan 0.000 0.477 208 A N -2.049 120.837 122.820 0.109 0.000 3.077 208 A HA 0.710 5.030 4.320 -0.000 0.000 0.179 208 A C 1.165 178.905 177.584 0.260 0.000 0.929 208 A CA 0.965 53.105 52.037 0.171 0.000 1.294 208 A CB -0.834 18.200 19.000 0.056 0.000 1.984 208 A HN 0.834 nan 8.150 nan 0.000 0.732 209 H N 0.106 119.205 119.070 0.048 0.000 2.319 209 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 209 H C 1.264 176.624 175.328 0.053 0.000 1.092 209 H CA 1.298 57.372 56.048 0.043 0.000 1.302 209 H CB 0.019 29.785 29.762 0.007 0.000 1.373 209 H HN 0.517 nan 8.280 nan 0.000 0.497 210 D N 0.594 121.095 120.400 0.169 0.000 2.106 210 D HA -0.141 4.499 4.640 -0.000 0.000 0.191 210 D C 2.397 178.759 176.300 0.103 0.000 0.997 210 D CA 0.901 54.966 54.000 0.108 0.000 0.834 210 D CB -0.515 40.324 40.800 0.066 0.000 0.956 210 D HN 0.121 nan 8.370 nan 0.000 0.448 211 V N 0.588 120.564 119.914 0.103 0.000 2.287 211 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 211 V C 2.670 178.827 176.094 0.106 0.000 1.053 211 V CA 1.161 63.516 62.300 0.092 0.000 1.027 211 V CB -0.593 31.284 31.823 0.089 0.000 0.646 211 V HN 0.064 nan 8.190 nan 0.000 0.447 212 V N 0.770 120.767 119.914 0.138 0.000 2.252 212 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 212 V C 2.337 178.507 176.094 0.127 0.000 1.056 212 V CA 2.396 64.785 62.300 0.149 0.000 1.022 212 V CB -0.897 31.027 31.823 0.170 0.000 0.641 212 V HN 0.597 nan 8.190 nan 0.000 0.445 213 N N 0.672 119.448 118.700 0.127 0.000 2.166 213 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 213 N C 1.884 177.441 175.510 0.079 0.000 1.019 213 N CA 1.649 54.763 53.050 0.108 0.000 0.856 213 N CB -0.531 38.023 38.487 0.112 0.000 0.993 213 N HN 0.568 nan 8.380 nan 0.000 0.426 214 G N 1.388 110.239 108.800 0.085 0.000 2.422 214 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 214 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 214 G C 1.677 176.637 174.900 0.101 0.000 1.146 214 G CA 0.225 45.379 45.100 0.090 0.000 0.769 214 G HN 0.244 nan 8.290 nan 0.000 0.547 215 I N 0.202 120.818 120.570 0.077 0.000 2.252 215 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 215 I C 2.650 178.799 176.117 0.053 0.000 1.102 215 I CA 0.662 61.995 61.300 0.054 0.000 1.385 215 I CB -0.153 37.878 38.000 0.052 0.000 1.064 215 I HN 0.133 nan 8.210 nan 0.000 0.414 216 L N 0.160 121.412 121.223 0.047 0.000 2.093 216 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 216 L C 2.310 179.179 176.870 -0.001 0.000 1.085 216 L CA 1.438 56.283 54.840 0.008 0.000 0.755 216 L CB -0.426 41.619 42.059 -0.024 0.000 0.904 216 L HN 0.223 nan 8.230 nan 0.000 0.435 217 E N -1.945 118.265 120.200 0.017 0.000 2.230 217 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 217 E C 0.633 177.231 176.600 -0.002 0.000 0.987 217 E CA -0.060 56.337 56.400 -0.005 0.000 0.841 217 E CB 0.144 29.837 29.700 -0.012 0.000 0.783 217 E HN 0.288 nan 8.360 nan 0.000 0.481 218 H N 2.170 121.226 119.070 -0.023 0.000 2.929 218 H HA -0.004 4.552 4.556 -0.000 0.000 0.317 218 H C -1.580 173.725 175.328 -0.038 0.000 1.031 218 H CA -1.446 54.586 56.048 -0.027 0.000 1.466 218 H CB 1.132 30.877 29.762 -0.029 0.000 1.482 218 H HN 0.014 nan 8.280 nan 0.000 0.561 219 P HA -0.058 nan 4.420 nan 0.000 0.237 219 P C 0.716 178.084 177.300 0.114 0.000 1.178 219 P CA 0.605 63.748 63.100 0.073 0.000 0.766 219 P CB 0.620 32.318 31.700 -0.002 0.000 0.876 220 E N 0.079 120.431 120.200 0.253 0.000 2.318 220 E HA 0.102 4.451 4.350 -0.000 0.000 0.193 220 E C 1.050 177.607 176.600 -0.072 0.000 0.998 220 E CA 0.226 56.652 56.400 0.043 0.000 0.859 220 E CB 0.026 29.700 29.700 -0.043 0.000 0.812 220 E HN 0.426 nan 8.360 nan 0.000 0.492 221 I N 2.354 122.895 120.570 -0.049 0.000 2.260 221 I HA 0.052 4.222 4.170 -0.000 0.000 0.297 221 I C 0.895 176.976 176.117 -0.061 0.000 1.143 221 I CA -0.152 61.094 61.300 -0.090 0.000 1.271 221 I CB 0.486 38.440 38.000 -0.077 0.000 1.461 221 I HN -0.340 nan 8.210 nan 0.000 0.530 222 K N 3.874 124.219 120.400 -0.092 0.000 2.439 222 K HA 0.173 4.493 4.320 -0.000 0.000 0.197 222 K C 0.459 177.020 176.600 -0.065 0.000 1.041 222 K CA 0.234 56.474 56.287 -0.078 0.000 0.970 222 K CB 0.202 32.639 32.500 -0.106 0.000 0.773 222 K HN 0.661 nan 8.250 nan 0.000 0.479 223 A N 0.311 123.107 122.820 -0.040 0.000 2.486 223 A HA 0.700 5.020 4.320 -0.000 0.000 0.300 223 A C -1.269 176.409 177.584 0.157 0.000 1.048 223 A CA -0.731 51.314 52.037 0.014 0.000 0.696 223 A CB 1.206 20.150 19.000 -0.094 0.000 1.278 223 A HN 0.079 nan 8.150 nan 0.000 0.405 224 I N 1.203 121.963 120.570 0.317 0.000 2.466 224 I HA 0.394 4.563 4.170 -0.000 0.000 0.289 224 I C -0.276 176.150 176.117 0.515 0.000 1.026 224 I CA -0.424 61.082 61.300 0.344 0.000 1.078 224 I CB 2.406 40.545 38.000 0.232 0.000 1.249 224 I HN 0.488 nan 8.210 nan 0.000 0.429 225 S N 6.143 122.136 115.700 0.489 0.000 2.566 225 S HA 0.492 4.962 4.470 -0.000 0.000 0.324 225 S C -0.838 174.011 174.600 0.415 0.000 1.081 225 S CA -0.419 58.057 58.200 0.460 0.000 1.105 225 S CB 0.685 64.228 63.200 0.572 0.000 0.981 225 S HN 0.428 nan 8.310 nan 0.000 0.464 226 F N 4.250 124.358 119.950 0.264 0.000 2.482 226 F HA 0.731 5.258 4.527 -0.000 0.000 0.331 226 F C -0.986 174.958 175.800 0.239 0.000 1.115 226 F CA -0.645 57.498 58.000 0.237 0.000 0.955 226 F CB 1.024 40.154 39.000 0.218 0.000 1.136 226 F HN 0.256 nan 8.300 nan 0.000 0.452 227 V N 5.913 125.342 119.914 -0.809 0.000 2.482 227 V HA 0.914 5.034 4.120 -0.000 0.000 0.295 227 V C -0.061 175.493 176.094 -0.900 0.000 1.026 227 V CA 0.047 62.051 62.300 -0.494 0.000 0.856 227 V CB 0.734 32.438 31.823 -0.198 0.000 1.001 227 V HN 1.182 nan 8.190 nan 0.000 0.424 228 G N 2.979 111.538 108.800 -0.401 0.000 2.356 228 G HA2 0.442 4.402 3.960 -0.000 0.000 0.281 228 G HA3 0.442 4.402 3.960 -0.000 0.000 0.281 228 G C -0.398 174.647 174.900 0.242 0.000 1.246 228 G CA 0.025 45.074 45.100 -0.085 0.000 0.889 228 G HN 0.983 nan 8.290 nan 0.000 0.486 229 S N 0.053 115.900 115.700 0.244 0.000 2.576 229 S HA 0.221 4.691 4.470 -0.000 0.000 0.272 229 S C 1.448 176.213 174.600 0.275 0.000 1.352 229 S CA 0.802 59.097 58.200 0.157 0.000 1.021 229 S CB 1.584 64.845 63.200 0.102 0.000 0.887 229 S HN 0.863 nan 8.310 nan 0.000 0.542 230 K N 1.853 122.398 120.400 0.243 0.000 2.002 230 K HA -0.065 4.255 4.320 -0.000 0.000 0.209 230 K C -0.736 176.022 176.600 0.264 0.000 1.048 230 K CA 1.581 58.069 56.287 0.336 0.000 0.930 230 K CB -1.503 31.254 32.500 0.428 0.000 0.714 230 K HN 0.603 nan 8.250 nan 0.000 0.438 231 P HA -0.142 nan 4.420 nan 0.000 0.215 231 P C 1.723 179.053 177.300 0.051 0.000 1.157 231 P CA 1.312 64.472 63.100 0.100 0.000 0.874 231 P CB -0.129 31.614 31.700 0.072 0.000 0.790 232 V N 0.397 120.334 119.914 0.039 0.000 2.358 232 V HA -0.113 4.007 4.120 -0.000 0.000 0.246 232 V C 2.925 178.837 176.094 -0.304 0.000 1.047 232 V CA 2.355 64.611 62.300 -0.074 0.000 1.035 232 V CB -1.941 29.896 31.823 0.023 0.000 0.658 232 V HN 0.181 nan 8.190 nan 0.000 0.452 233 G N -0.493 108.161 108.800 -0.245 0.000 2.408 233 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 233 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 233 G C 1.522 176.380 174.900 -0.070 0.000 1.150 233 G CA 0.906 45.802 45.100 -0.339 0.000 0.776 233 G HN 0.594 nan 8.290 nan 0.000 0.542 234 E N -0.720 119.472 120.200 -0.013 0.000 2.106 234 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 234 E C 1.988 178.469 176.600 -0.199 0.000 0.984 234 E CA 0.702 56.914 56.400 -0.313 0.000 0.806 234 E CB -0.324 29.214 29.700 -0.270 0.000 0.750 234 E HN 0.557 nan 8.360 nan 0.000 0.458 235 Y N 0.501 120.670 120.300 -0.220 0.000 2.163 235 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 235 Y C 2.008 177.791 175.900 -0.196 0.000 1.136 235 Y CA 1.625 59.609 58.100 -0.192 0.000 1.147 235 Y CB -0.287 38.065 38.460 -0.181 0.000 0.987 235 Y HN -0.092 nan 8.280 nan 0.000 0.509 236 V N -0.005 119.768 119.914 -0.235 0.000 2.343 236 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 236 V C 2.064 178.028 176.094 -0.216 0.000 1.051 236 V CA 2.236 64.366 62.300 -0.283 0.000 1.036 236 V CB -1.122 30.500 31.823 -0.335 0.000 0.654 236 V HN 0.596 nan 8.190 nan 0.000 0.451 237 Y N 1.093 121.239 120.300 -0.256 0.000 2.145 237 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 237 Y C 2.522 178.279 175.900 -0.238 0.000 1.145 237 Y CA 1.889 59.868 58.100 -0.201 0.000 1.148 237 Y CB -0.172 38.140 38.460 -0.246 0.000 0.981 237 Y HN 0.159 nan 8.280 nan 0.000 0.507 238 K N -0.114 120.138 120.400 -0.246 0.000 2.002 238 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 238 K C 2.250 178.644 176.600 -0.344 0.000 1.048 238 K CA 1.397 57.513 56.287 -0.285 0.000 0.930 238 K CB -0.200 32.162 32.500 -0.229 0.000 0.714 238 K HN 0.074 nan 8.250 nan 0.000 0.438 239 K N 0.486 120.619 120.400 -0.445 0.000 2.032 239 K HA -0.136 4.184 4.320 -0.000 0.000 0.209 239 K C 2.254 178.677 176.600 -0.295 0.000 1.048 239 K CA 1.767 57.801 56.287 -0.422 0.000 0.927 239 K CB -0.594 31.516 32.500 -0.650 0.000 0.712 239 K HN 0.330 nan 8.250 nan 0.000 0.441 240 G N 0.210 108.835 108.800 -0.292 0.000 2.422 240 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 240 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 240 G C 1.621 176.380 174.900 -0.235 0.000 1.146 240 G CA 1.072 46.043 45.100 -0.215 0.000 0.769 240 G HN 0.284 nan 8.290 nan 0.000 0.547 241 S N 0.482 115.977 115.700 -0.342 0.000 2.406 241 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 241 S C 2.144 176.625 174.600 -0.198 0.000 1.020 241 S CA 0.791 58.807 58.200 -0.307 0.000 0.965 241 S CB -0.081 62.864 63.200 -0.424 0.000 0.798 241 S HN 0.333 nan 8.310 nan 0.000 0.488 242 E N 1.988 122.071 120.200 -0.194 0.000 2.153 242 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 242 E C 0.947 177.479 176.600 -0.114 0.000 0.988 242 E CA 0.669 56.984 56.400 -0.142 0.000 0.811 242 E CB -0.324 29.288 29.700 -0.146 0.000 0.746 242 E HN 0.427 nan 8.360 nan 0.000 0.466 243 N N 0.615 119.242 118.700 -0.121 0.000 2.370 243 N HA -0.019 4.721 4.740 -0.000 0.000 0.198 243 N C 0.017 175.480 175.510 -0.078 0.000 1.156 243 N CA -0.021 52.975 53.050 -0.090 0.000 0.839 243 N CB 0.381 38.819 38.487 -0.083 0.000 0.989 243 N HN -0.010 nan 8.380 nan 0.000 0.468 244 L N -0.054 121.115 121.223 -0.089 0.000 3.660 244 L HA -0.277 4.063 4.340 -0.000 0.000 0.440 244 L C 0.127 176.959 176.870 -0.064 0.000 1.262 244 L CA 1.178 55.974 54.840 -0.073 0.000 0.837 244 L CB -1.912 40.114 42.059 -0.054 0.000 1.689 244 L HN 0.385 nan 8.230 nan 0.000 0.890 245 K N -0.604 119.751 120.400 -0.075 0.000 2.422 245 K HA 0.749 5.069 4.320 -0.000 0.000 0.251 245 K C 0.109 176.684 176.600 -0.041 0.000 0.933 245 K CA -1.268 54.988 56.287 -0.053 0.000 0.798 245 K CB 1.855 34.330 32.500 -0.041 0.000 1.238 245 K HN 0.220 nan 8.250 nan 0.000 0.428 246 R N 0.753 121.245 120.500 -0.012 0.000 2.537 246 R HA 0.356 4.696 4.340 -0.000 0.000 0.280 246 R C -0.356 176.087 176.300 0.237 0.000 1.058 246 R CA -0.747 55.400 56.100 0.078 0.000 1.057 246 R CB 0.910 31.208 30.300 -0.004 0.000 0.973 246 R HN 0.488 nan 8.270 nan 0.000 0.438 247 V N 2.072 122.207 119.914 0.369 0.000 3.087 247 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 247 V C -1.760 174.601 176.094 0.446 0.000 1.187 247 V CA -0.769 61.801 62.300 0.451 0.000 0.999 247 V CB 2.347 34.279 31.823 0.181 0.000 1.049 247 V HN 1.081 nan 8.190 nan 0.000 0.431 248 Q N 2.891 122.854 119.800 0.272 0.000 2.285 248 Q HA 0.745 5.085 4.340 -0.000 0.000 0.269 248 Q C -1.515 174.660 176.000 0.291 0.000 1.030 248 Q CA -0.647 55.228 55.803 0.120 0.000 0.788 248 Q CB 2.218 30.764 28.738 -0.320 0.000 1.266 248 Q HN 0.615 nan 8.270 nan 0.000 0.438 249 S N 3.299 119.183 115.700 0.306 0.000 2.640 249 S HA 0.410 4.880 4.470 -0.000 0.000 0.320 249 S C -0.864 173.991 174.600 0.426 0.000 1.097 249 S CA -0.594 57.889 58.200 0.472 0.000 1.092 249 S CB 0.568 64.075 63.200 0.511 0.000 0.988 249 S HN 0.522 nan 8.310 nan 0.000 0.470 250 L N 4.297 125.799 121.223 0.464 0.000 2.259 250 L HA 0.391 4.731 4.340 -0.000 0.000 0.288 250 L C 1.143 178.225 176.870 0.352 0.000 1.051 250 L CA 0.120 55.219 54.840 0.431 0.000 0.824 250 L CB 0.416 42.740 42.059 0.441 0.000 1.206 250 L HN 0.743 nan 8.230 nan 0.000 0.429 251 T N -0.371 114.353 114.554 0.284 0.000 2.898 251 T HA 0.688 5.038 4.350 -0.000 0.000 0.283 251 T C 0.792 175.594 174.700 0.171 0.000 1.059 251 T CA -0.382 61.874 62.100 0.262 0.000 0.958 251 T CB 0.243 69.269 68.868 0.264 0.000 1.594 251 T HN 0.537 nan 8.240 nan 0.000 0.598 252 G N -0.280 108.599 108.800 0.133 0.000 2.825 252 G HA2 0.449 4.409 3.960 -0.000 0.000 0.241 252 G HA3 0.449 4.409 3.960 -0.000 0.000 0.241 252 G C -0.259 174.484 174.900 -0.263 0.000 1.239 252 G CA -0.140 44.884 45.100 -0.126 0.000 0.859 252 G HN 1.180 nan 8.290 nan 0.000 0.598 253 A N 0.188 122.660 122.820 -0.580 0.000 2.587 253 A HA 0.804 5.124 4.320 -0.000 0.000 0.293 253 A C -0.390 176.896 177.584 -0.498 0.000 1.087 253 A CA -0.649 51.159 52.037 -0.382 0.000 0.692 253 A CB 2.127 21.101 19.000 -0.043 0.000 1.291 253 A HN 0.496 nan 8.150 nan 0.000 0.407 254 K N 1.971 122.266 120.400 -0.175 0.000 3.200 254 K HA 0.167 4.487 4.320 -0.000 0.000 0.179 254 K C -1.048 175.632 176.600 0.134 0.000 1.153 254 K CA -0.342 55.900 56.287 -0.075 0.000 0.836 254 K CB 0.059 32.549 32.500 -0.016 0.000 1.051 254 K HN 0.822 nan 8.250 nan 0.000 0.594 255 N N 1.750 120.511 118.700 0.103 0.000 2.492 255 N HA 0.052 4.791 4.740 -0.000 0.000 0.262 255 N C -0.129 175.521 175.510 0.232 0.000 1.202 255 N CA 0.275 53.434 53.050 0.181 0.000 0.926 255 N CB 0.647 39.195 38.487 0.101 0.000 1.078 255 N HN 0.326 nan 8.380 nan 0.000 0.454 256 H N 0.331 119.455 119.070 0.089 0.000 2.472 256 H HA 0.324 4.880 4.556 -0.000 0.000 0.338 256 H C -0.216 175.184 175.328 0.119 0.000 1.133 256 H CA -0.341 55.779 56.048 0.120 0.000 1.216 256 H CB 1.650 31.514 29.762 0.169 0.000 1.497 256 H HN 0.311 nan 8.280 nan 0.000 0.500 257 T N 3.988 118.655 114.554 0.188 0.000 2.812 257 T HA 0.342 4.691 4.350 -0.000 0.000 0.282 257 T C 0.301 175.057 174.700 0.093 0.000 0.990 257 T CA -0.622 61.567 62.100 0.148 0.000 0.960 257 T CB 0.656 69.617 68.868 0.155 0.000 0.948 257 T HN 0.335 nan 8.240 nan 0.000 0.438 258 I N 3.432 124.022 120.570 0.033 0.000 2.321 258 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 258 I C -0.404 175.687 176.117 -0.043 0.000 0.998 258 I CA -0.878 60.405 61.300 -0.028 0.000 1.227 258 I CB 1.446 39.389 38.000 -0.094 0.000 1.368 258 I HN 0.224 nan 8.210 nan 0.000 0.466 259 V N 7.680 127.524 119.914 -0.117 0.000 2.334 259 V HA 0.395 4.515 4.120 -0.000 0.000 0.281 259 V C 0.243 176.252 176.094 -0.141 0.000 1.016 259 V CA -0.474 61.723 62.300 -0.171 0.000 0.832 259 V CB 1.348 32.862 31.823 -0.515 0.000 0.999 259 V HN 0.517 nan 8.190 nan 0.000 0.439 260 L N 3.421 124.598 121.223 -0.078 0.000 2.416 260 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 260 L C 1.475 178.315 176.870 -0.050 0.000 1.093 260 L CA -0.782 54.020 54.840 -0.062 0.000 0.801 260 L CB 0.812 42.841 42.059 -0.050 0.000 1.191 260 L HN 0.501 nan 8.230 nan 0.000 0.459 261 N N 1.354 120.032 118.700 -0.037 0.000 2.132 261 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 261 N C 0.927 176.430 175.510 -0.012 0.000 1.015 261 N CA 1.643 54.680 53.050 -0.023 0.000 0.864 261 N CB -0.331 38.146 38.487 -0.017 0.000 1.006 261 N HN 0.690 nan 8.380 nan 0.000 0.430 262 D N 0.010 120.403 120.400 -0.011 0.000 2.319 262 D HA 0.085 4.725 4.640 -0.000 0.000 0.230 262 D C 0.142 176.448 176.300 0.011 0.000 1.094 262 D CA -0.201 53.798 54.000 -0.001 0.000 0.856 262 D CB -0.323 40.473 40.800 -0.006 0.000 0.915 262 D HN 0.061 nan 8.370 nan 0.000 0.517 263 A N 0.900 123.728 122.820 0.015 0.000 2.445 263 A HA 0.113 4.433 4.320 -0.000 0.000 0.242 263 A C 0.521 178.136 177.584 0.052 0.000 1.075 263 A CA -0.503 51.564 52.037 0.049 0.000 0.777 263 A CB 0.158 19.184 19.000 0.044 0.000 1.013 263 A HN 0.271 nan 8.150 nan 0.000 0.493 264 N N 2.881 121.630 118.700 0.081 0.000 2.415 264 N HA 0.086 4.826 4.740 -0.000 0.000 0.250 264 N C 0.834 176.379 175.510 0.058 0.000 1.127 264 N CA -0.085 53.005 53.050 0.066 0.000 0.945 264 N CB 0.307 38.840 38.487 0.077 0.000 1.196 264 N HN 0.666 nan 8.380 nan 0.000 0.499 265 L N 2.154 123.403 121.223 0.044 0.000 2.042 265 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 265 L C 2.270 179.158 176.870 0.030 0.000 1.076 265 L CA 1.347 56.216 54.840 0.047 0.000 0.749 265 L CB -0.325 41.772 42.059 0.062 0.000 0.893 265 L HN 0.568 nan 8.230 nan 0.000 0.432 266 E N 0.968 121.185 120.200 0.028 0.000 2.013 266 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 266 E C 1.707 178.321 176.600 0.023 0.000 1.018 266 E CA 2.238 58.651 56.400 0.021 0.000 0.834 266 E CB -0.256 29.459 29.700 0.025 0.000 0.770 266 E HN 0.370 nan 8.360 nan 0.000 0.459 267 D N -0.473 119.954 120.400 0.045 0.000 2.149 267 D HA -0.141 4.498 4.640 -0.000 0.000 0.198 267 D C 1.997 178.318 176.300 0.034 0.000 0.990 267 D CA 1.922 55.966 54.000 0.073 0.000 0.839 267 D CB -0.667 40.207 40.800 0.123 0.000 0.948 267 D HN 0.317 nan 8.370 nan 0.000 0.460 268 T N 0.965 115.481 114.554 -0.064 0.000 2.674 268 T HA -0.096 4.253 4.350 -0.000 0.000 0.265 268 T C 2.352 176.869 174.700 -0.305 0.000 1.039 268 T CA 0.921 62.742 62.100 -0.464 0.000 1.150 268 T CB -0.444 68.143 68.868 -0.469 0.000 0.864 268 T HN -0.020 nan 8.240 nan 0.000 0.427 269 V N 1.622 121.491 119.914 -0.075 0.000 2.332 269 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 269 V C 2.785 178.857 176.094 -0.035 0.000 1.055 269 V CA 2.079 64.362 62.300 -0.028 0.000 1.038 269 V CB -1.197 30.595 31.823 -0.052 0.000 0.651 269 V HN 0.545 nan 8.190 nan 0.000 0.450 270 T N -0.070 114.476 114.554 -0.014 0.000 2.737 270 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 270 T C 1.867 176.607 174.700 0.067 0.000 1.038 270 T CA 1.518 63.638 62.100 0.033 0.000 1.144 270 T CB -0.378 68.521 68.868 0.051 0.000 0.866 270 T HN 0.468 nan 8.240 nan 0.000 0.434 271 N N 0.965 119.696 118.700 0.052 0.000 2.120 271 N HA -0.013 4.727 4.740 -0.000 0.000 0.188 271 N C 1.946 177.502 175.510 0.078 0.000 1.024 271 N CA 1.095 54.211 53.050 0.110 0.000 0.852 271 N CB -0.225 38.406 38.487 0.241 0.000 1.003 271 N HN 0.379 nan 8.380 nan 0.000 0.424 272 I N 0.681 121.239 120.570 -0.021 0.000 2.252 272 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 272 I C 2.227 178.337 176.117 -0.012 0.000 1.102 272 I CA 0.645 61.934 61.300 -0.018 0.000 1.385 272 I CB -0.208 37.779 38.000 -0.021 0.000 1.064 272 I HN -0.112 nan 8.210 nan 0.000 0.414 273 V N 1.097 121.035 119.914 0.040 0.000 2.332 273 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 273 V C 2.529 178.771 176.094 0.247 0.000 1.055 273 V CA 2.256 64.634 62.300 0.129 0.000 1.038 273 V CB -1.287 30.591 31.823 0.092 0.000 0.651 273 V HN 0.587 nan 8.190 nan 0.000 0.450 274 G N -0.810 108.154 108.800 0.273 0.000 2.403 274 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 274 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 274 G C 1.693 176.668 174.900 0.126 0.000 1.154 274 G CA 0.841 46.132 45.100 0.319 0.000 0.784 274 G HN 0.602 nan 8.290 nan 0.000 0.538 275 A N 0.662 123.516 122.820 0.058 0.000 2.014 275 A HA 0.481 4.801 4.320 -0.000 0.000 0.218 275 A C 2.593 180.118 177.584 -0.097 0.000 1.163 275 A CA 1.890 53.931 52.037 0.007 0.000 0.652 275 A CB -0.313 18.711 19.000 0.040 0.000 0.808 275 A HN 0.603 nan 8.150 nan 0.000 0.449 276 A N -1.725 120.949 122.820 -0.243 0.000 1.956 276 A HA 0.385 4.705 4.320 -0.000 0.000 0.212 276 A C 1.461 178.664 177.584 -0.636 0.000 1.188 276 A CA 0.940 52.636 52.037 -0.568 0.000 0.675 276 A CB -0.201 18.215 19.000 -0.974 0.000 0.845 276 A HN 0.423 nan 8.150 nan 0.000 0.455 277 F N -0.094 119.933 119.950 0.128 0.000 2.724 277 F HA 0.318 4.845 4.527 -0.000 0.000 0.306 277 F C 1.574 177.482 175.800 0.181 0.000 1.100 277 F CA -0.669 57.435 58.000 0.173 0.000 1.255 277 F CB -0.546 38.588 39.000 0.224 0.000 1.072 277 F HN 0.147 nan 8.300 nan 0.000 0.589 278 G N -0.422 108.507 108.800 0.214 0.000 2.554 278 G HA2 0.279 4.239 3.960 -0.000 0.000 0.238 278 G HA3 0.279 4.239 3.960 -0.000 0.000 0.238 278 G C 0.724 175.586 174.900 -0.063 0.000 1.259 278 G CA 0.199 45.270 45.100 -0.049 0.000 0.843 278 G HN 0.158 nan 8.290 nan 0.000 0.582 279 S N -0.419 115.212 115.700 -0.115 0.000 3.533 279 S HA -0.153 4.317 4.470 -0.000 0.000 0.347 279 S C 1.552 176.091 174.600 -0.102 0.000 1.101 279 S CA 1.373 59.496 58.200 -0.129 0.000 1.009 279 S CB -1.597 61.479 63.200 -0.208 0.000 0.916 279 S HN 2.623 nan 8.310 nan 0.000 0.496 280 A N -1.512 121.308 122.820 -0.000 0.000 2.798 280 A HA 0.049 4.369 4.320 -0.000 0.000 0.282 280 A C 2.201 179.770 177.584 -0.026 0.000 1.464 280 A CA 1.617 53.682 52.037 0.047 0.000 0.844 280 A CB -2.263 16.763 19.000 0.043 0.000 1.006 280 A HN 2.560 nan 8.150 nan 0.000 0.577 281 G N -1.768 106.983 108.800 -0.081 0.000 2.175 281 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.265 281 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.265 281 G C -0.070 174.519 174.900 -0.519 0.000 0.979 281 G CA 0.863 45.847 45.100 -0.193 0.000 0.663 281 G HN 1.266 nan 8.290 nan 0.000 0.533 282 E N 0.176 119.983 120.200 -0.655 0.000 2.110 282 E HA 0.450 4.800 4.350 -0.000 0.000 0.300 282 E C 0.555 176.490 176.600 -1.109 0.000 1.278 282 E CA -0.111 55.443 56.400 -1.410 0.000 1.365 282 E CB 0.304 29.623 29.700 -0.635 0.000 1.283 282 E HN 0.370 nan 8.360 nan 0.000 0.490 283 R N -0.039 119.979 120.500 -0.803 0.000 2.604 283 R HA 0.169 4.509 4.340 -0.000 0.000 0.281 283 R C 0.611 177.015 176.300 0.172 0.000 1.020 283 R CA -0.458 55.542 56.100 -0.167 0.000 0.899 283 R CB 0.798 31.059 30.300 -0.065 0.000 1.205 283 R HN 0.509 nan 8.270 nan 0.000 0.450 284 C N 2.455 121.977 119.300 0.371 0.000 2.449 284 C HA 0.138 4.597 4.460 -0.000 0.000 0.283 284 C C 1.249 176.390 174.990 0.252 0.000 1.453 284 C CA -0.011 59.214 59.018 0.345 0.000 1.779 284 C CB -0.249 27.725 27.740 0.389 0.000 1.779 284 C HN 0.601 nan 8.230 nan 0.000 0.546 285 M N 0.951 120.695 119.600 0.241 0.000 2.346 285 M HA 0.335 4.815 4.480 -0.000 0.000 0.280 285 M C 1.025 177.379 176.300 0.090 0.000 1.075 285 M CA -0.072 55.324 55.300 0.160 0.000 0.989 285 M CB -0.412 32.307 32.600 0.197 0.000 1.447 285 M HN 0.426 nan 8.290 nan 0.000 0.511 286 A N 0.810 123.661 122.820 0.052 0.000 2.477 286 A HA 0.124 4.444 4.320 -0.000 0.000 0.246 286 A C 0.310 177.880 177.584 -0.023 0.000 1.078 286 A CA -0.169 51.855 52.037 -0.022 0.000 0.770 286 A CB 0.082 19.018 19.000 -0.107 0.000 1.011 286 A HN 0.548 nan 8.150 nan 0.000 0.494 287 C N 3.320 122.592 119.300 -0.048 0.000 2.540 287 C HA 0.491 4.951 4.460 -0.000 0.000 0.377 287 C C 1.394 176.329 174.990 -0.093 0.000 1.274 287 C CA 0.126 59.120 59.018 -0.041 0.000 1.718 287 C CB -1.079 26.639 27.740 -0.036 0.000 2.391 287 C HN 0.926 nan 8.230 nan 0.000 0.565 288 A N 4.910 127.685 122.820 -0.075 0.000 2.014 288 A HA 0.428 4.748 4.320 -0.000 0.000 0.210 288 A C 0.500 178.016 177.584 -0.114 0.000 1.188 288 A CA 0.639 52.616 52.037 -0.101 0.000 0.731 288 A CB 0.147 19.082 19.000 -0.110 0.000 0.858 288 A HN 0.735 nan 8.150 nan 0.000 0.464 289 V N 0.103 119.913 119.914 -0.173 0.000 2.841 289 V HA 0.486 4.606 4.120 -0.000 0.000 0.310 289 V C -1.098 174.942 176.094 -0.089 0.000 1.090 289 V CA -0.670 61.516 62.300 -0.190 0.000 0.930 289 V CB 1.891 33.396 31.823 -0.530 0.000 1.014 289 V HN -0.001 nan 8.190 nan 0.000 0.425 290 V N 2.861 122.783 119.914 0.015 0.000 2.448 290 V HA 0.563 4.683 4.120 -0.000 0.000 0.295 290 V C 0.146 176.275 176.094 0.057 0.000 1.025 290 V CA -0.401 61.928 62.300 0.047 0.000 0.859 290 V CB 2.202 34.091 31.823 0.111 0.000 0.988 290 V HN 1.040 nan 8.190 nan 0.000 0.431 291 T N 2.003 116.587 114.554 0.049 0.000 2.874 291 T HA 0.591 4.940 4.350 -0.000 0.000 0.321 291 T C -0.589 174.091 174.700 -0.033 0.000 1.075 291 T CA -0.564 61.570 62.100 0.057 0.000 0.966 291 T CB 1.181 70.127 68.868 0.130 0.000 1.001 291 T HN 0.441 nan 8.240 nan 0.000 0.476 292 V N 2.718 122.591 119.914 -0.068 0.000 2.472 292 V HA 0.449 4.569 4.120 -0.000 0.000 0.290 292 V C 0.314 176.369 176.094 -0.065 0.000 1.037 292 V CA -0.844 61.363 62.300 -0.154 0.000 0.908 292 V CB 1.304 32.974 31.823 -0.255 0.000 0.985 292 V HN 1.016 nan 8.190 nan 0.000 0.454 293 E N 4.209 124.365 120.200 -0.073 0.000 2.392 293 E HA 0.092 4.442 4.350 -0.000 0.000 0.264 293 E C 0.822 177.412 176.600 -0.016 0.000 1.024 293 E CA -0.289 56.090 56.400 -0.035 0.000 0.903 293 E CB 0.794 30.470 29.700 -0.040 0.000 0.963 293 E HN 0.779 nan 8.360 nan 0.000 0.432 294 E N 2.930 123.128 120.200 -0.003 0.000 2.068 294 E HA -0.255 4.095 4.350 -0.000 0.000 0.207 294 E C 1.819 178.425 176.600 0.011 0.000 1.032 294 E CA 1.625 58.030 56.400 0.008 0.000 0.839 294 E CB -0.728 28.975 29.700 0.006 0.000 0.758 294 E HN 0.851 nan 8.360 nan 0.000 0.457 295 G N 0.953 109.755 108.800 0.003 0.000 2.475 295 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 295 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 295 G C 1.595 176.503 174.900 0.013 0.000 1.125 295 G CA 0.800 45.903 45.100 0.006 0.000 0.755 295 G HN 0.328 nan 8.290 nan 0.000 0.565 296 I N 0.030 120.607 120.570 0.012 0.000 4.018 296 I HA 0.363 4.532 4.170 -0.000 0.000 0.337 296 I C 2.608 178.767 176.117 0.070 0.000 1.327 296 I CA 0.544 61.861 61.300 0.029 0.000 1.100 296 I CB 0.240 38.242 38.000 0.005 0.000 1.025 296 I HN 0.177 nan 8.210 nan 0.000 0.396 297 A N 0.926 123.782 122.820 0.061 0.000 1.873 297 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 297 A C 1.863 179.533 177.584 0.143 0.000 1.193 297 A CA 2.299 54.404 52.037 0.113 0.000 0.629 297 A CB -0.626 18.419 19.000 0.075 0.000 0.826 297 A HN 0.430 nan 8.150 nan 0.000 0.447 298 D N -0.784 119.667 120.400 0.084 0.000 2.106 298 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 298 D C 1.896 178.232 176.300 0.059 0.000 0.997 298 D CA 1.705 55.742 54.000 0.061 0.000 0.834 298 D CB -0.475 40.347 40.800 0.036 0.000 0.956 298 D HN 0.734 nan 8.370 nan 0.000 0.448 299 E N -0.607 119.634 120.200 0.068 0.000 2.150 299 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 299 E C 2.021 178.667 176.600 0.078 0.000 0.985 299 E CA 0.304 56.737 56.400 0.056 0.000 0.814 299 E CB -0.122 29.610 29.700 0.053 0.000 0.752 299 E HN 0.166 nan 8.360 nan 0.000 0.466 300 F N 0.941 120.877 119.950 -0.023 0.000 2.102 300 F HA -0.216 4.310 4.527 -0.000 0.000 0.298 300 F C 2.060 177.843 175.800 -0.028 0.000 1.105 300 F CA 1.334 59.313 58.000 -0.034 0.000 1.239 300 F CB -0.144 38.835 39.000 -0.035 0.000 0.991 300 F HN 0.040 nan 8.300 nan 0.000 0.474 301 M N 0.468 120.009 119.600 -0.099 0.000 2.159 301 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 301 M C 2.522 178.709 176.300 -0.188 0.000 1.063 301 M CA 1.556 56.737 55.300 -0.199 0.000 1.110 301 M CB -2.051 30.532 32.600 -0.030 0.000 1.374 301 M HN 0.329 nan 8.290 nan 0.000 0.411 302 A N 0.359 123.114 122.820 -0.109 0.000 1.877 302 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 302 A C 2.292 179.801 177.584 -0.125 0.000 1.186 302 A CA 1.689 53.670 52.037 -0.092 0.000 0.620 302 A CB -0.541 18.429 19.000 -0.049 0.000 0.822 302 A HN 0.470 nan 8.150 nan 0.000 0.443 303 K N -0.981 119.335 120.400 -0.140 0.000 2.217 303 K HA -0.005 4.314 4.320 -0.000 0.000 0.202 303 K C 1.848 178.315 176.600 -0.220 0.000 1.051 303 K CA 0.976 57.177 56.287 -0.144 0.000 0.952 303 K CB -0.232 32.212 32.500 -0.092 0.000 0.736 303 K HN 0.408 nan 8.250 nan 0.000 0.453 304 L N 1.612 122.611 121.223 -0.372 0.000 2.056 304 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 304 L C 2.097 178.824 176.870 -0.238 0.000 1.078 304 L CA 1.685 56.278 54.840 -0.412 0.000 0.749 304 L CB -0.227 41.411 42.059 -0.701 0.000 0.901 304 L HN 0.116 nan 8.230 nan 0.000 0.433 305 Q N -0.621 119.055 119.800 -0.206 0.000 2.084 305 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 305 Q C 2.127 178.042 176.000 -0.141 0.000 0.978 305 Q CA 1.881 57.592 55.803 -0.153 0.000 0.844 305 Q CB -0.214 28.448 28.738 -0.127 0.000 0.898 305 Q HN 0.688 nan 8.270 nan 0.000 0.426 306 E N 1.068 121.189 120.200 -0.131 0.000 2.038 306 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 306 E C 1.913 178.437 176.600 -0.126 0.000 1.000 306 E CA 1.379 57.711 56.400 -0.113 0.000 0.803 306 E CB 0.067 29.711 29.700 -0.095 0.000 0.750 306 E HN -0.018 nan 8.360 nan 0.000 0.448 307 K N 0.251 120.569 120.400 -0.135 0.000 2.032 307 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 307 K C 1.982 178.467 176.600 -0.193 0.000 1.048 307 K CA 1.512 57.711 56.287 -0.147 0.000 0.927 307 K CB -0.454 31.966 32.500 -0.132 0.000 0.712 307 K HN 0.098 nan 8.250 nan 0.000 0.441 308 V N 0.750 120.552 119.914 -0.187 0.000 2.720 308 V HA -0.177 3.943 4.120 -0.000 0.000 0.256 308 V C 2.138 178.083 176.094 -0.249 0.000 1.082 308 V CA 1.714 63.869 62.300 -0.241 0.000 1.101 308 V CB -0.745 30.948 31.823 -0.217 0.000 0.693 308 V HN 0.449 nan 8.190 nan 0.000 0.479 309 A N -0.415 122.291 122.820 -0.191 0.000 2.119 309 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 309 A C 1.601 179.092 177.584 -0.155 0.000 1.153 309 A CA 1.306 53.246 52.037 -0.162 0.000 0.692 309 A CB -0.286 18.637 19.000 -0.127 0.000 0.799 309 A HN 0.513 nan 8.150 nan 0.000 0.458 310 D N -0.306 119.992 120.400 -0.170 0.000 2.325 310 D HA 0.199 4.839 4.640 -0.000 0.000 0.225 310 D C 0.006 176.199 176.300 -0.179 0.000 1.096 310 D CA 0.050 53.961 54.000 -0.149 0.000 0.844 310 D CB -0.020 40.704 40.800 -0.127 0.000 0.925 310 D HN 0.421 nan 8.370 nan 0.000 0.513 311 I N 1.374 121.802 120.570 -0.238 0.000 2.452 311 I HA 0.022 4.192 4.170 -0.000 0.000 0.287 311 I C 0.728 176.781 176.117 -0.106 0.000 1.079 311 I CA -0.080 61.070 61.300 -0.250 0.000 1.387 311 I CB 0.595 38.385 38.000 -0.349 0.000 1.404 311 I HN -0.428 nan 8.210 nan 0.000 0.522 312 K N 7.433 127.825 120.400 -0.015 0.000 2.258 312 K HA 0.522 4.842 4.320 -0.000 0.000 0.284 312 K C -0.603 176.004 176.600 0.012 0.000 1.051 312 K CA -0.393 55.887 56.287 -0.010 0.000 0.923 312 K CB 1.255 33.761 32.500 0.010 0.000 1.046 312 K HN 0.492 nan 8.250 nan 0.000 0.474 313 I N 1.876 122.403 120.570 -0.071 0.000 2.359 313 I HA 0.512 4.682 4.170 -0.000 0.000 0.294 313 I C 0.675 176.622 176.117 -0.283 0.000 0.987 313 I CA -0.337 60.889 61.300 -0.124 0.000 1.225 313 I CB 1.687 39.582 38.000 -0.176 0.000 1.366 313 I HN 0.817 nan 8.210 nan 0.000 0.466 314 G N 4.873 113.510 108.800 -0.272 0.000 2.336 314 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.286 314 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.286 314 G C -1.592 173.355 174.900 0.077 0.000 1.269 314 G CA -0.761 44.150 45.100 -0.315 0.000 0.873 314 G HN 0.506 nan 8.290 nan 0.000 0.494 315 N N 0.859 119.614 118.700 0.092 0.000 2.468 315 N HA 0.221 4.961 4.740 -0.000 0.000 0.265 315 N C 1.669 177.234 175.510 0.091 0.000 1.199 315 N CA 0.859 53.996 53.050 0.145 0.000 0.928 315 N CB 1.331 39.870 38.487 0.087 0.000 1.059 315 N HN 0.843 nan 8.380 nan 0.000 0.467 316 G N 3.705 112.557 108.800 0.087 0.000 2.501 316 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 316 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 316 G C 1.376 176.296 174.900 0.034 0.000 1.114 316 G CA 0.341 45.470 45.100 0.047 0.000 0.757 316 G HN 0.514 nan 8.290 nan 0.000 0.559 317 L N 0.770 122.017 121.223 0.040 0.000 2.109 317 L HA 0.128 4.467 4.340 -0.000 0.000 0.207 317 L C 0.531 177.427 176.870 0.045 0.000 1.086 317 L CA 0.422 55.293 54.840 0.051 0.000 0.760 317 L CB -1.007 41.093 42.059 0.068 0.000 0.910 317 L HN 0.114 nan 8.230 nan 0.000 0.437 318 D N 1.237 121.659 120.400 0.037 0.000 2.424 318 D HA 0.104 4.744 4.640 -0.000 0.000 0.244 318 D C 0.216 176.532 176.300 0.026 0.000 1.134 318 D CA -0.138 53.878 54.000 0.027 0.000 0.881 318 D CB 0.586 41.395 40.800 0.016 0.000 1.191 318 D HN 0.214 nan 8.370 nan 0.000 0.445 319 D N -0.343 120.071 120.400 0.024 0.000 2.358 319 D HA 0.343 4.983 4.640 -0.000 0.000 0.244 319 D C 1.324 177.640 176.300 0.027 0.000 1.163 319 D CA -0.194 53.821 54.000 0.026 0.000 0.945 319 D CB 0.850 41.664 40.800 0.023 0.000 1.152 319 D HN 0.504 nan 8.370 nan 0.000 0.451 320 G N -0.542 108.280 108.800 0.038 0.000 2.284 320 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.247 320 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.247 320 G C 0.234 175.172 174.900 0.064 0.000 1.012 320 G CA 0.298 45.425 45.100 0.045 0.000 0.618 320 G HN 0.677 nan 8.290 nan 0.000 0.521 321 V N 1.799 121.747 119.914 0.056 0.000 2.470 321 V HA 0.505 4.625 4.120 -0.000 0.000 0.276 321 V C 1.128 177.291 176.094 0.115 0.000 1.040 321 V CA 0.663 63.006 62.300 0.072 0.000 1.008 321 V CB 1.157 33.007 31.823 0.045 0.000 0.990 321 V HN 0.361 nan 8.190 nan 0.000 0.477 322 F N 5.450 125.404 119.950 0.008 0.000 2.298 322 F HA 0.349 4.876 4.527 -0.000 0.000 0.282 322 F C 0.691 176.517 175.800 0.043 0.000 1.045 322 F CA 0.377 58.392 58.000 0.024 0.000 1.280 322 F CB 0.480 39.490 39.000 0.017 0.000 1.114 322 F HN 0.358 nan 8.300 nan 0.000 0.546 323 L N 1.498 122.931 121.223 0.351 0.000 2.272 323 L HA 0.594 4.933 4.340 -0.000 0.000 0.289 323 L C 0.240 177.236 176.870 0.210 0.000 1.032 323 L CA -0.238 54.759 54.840 0.262 0.000 0.810 323 L CB 0.690 42.920 42.059 0.284 0.000 1.205 323 L HN 0.205 nan 8.230 nan 0.000 0.422 324 G N 5.042 113.957 108.800 0.193 0.000 2.543 324 G HA2 0.632 4.592 3.960 -0.000 0.000 0.267 324 G HA3 0.632 4.592 3.960 -0.000 0.000 0.267 324 G C -2.781 172.303 174.900 0.308 0.000 1.406 324 G CA -0.885 44.378 45.100 0.272 0.000 1.048 324 G HN 0.572 nan 8.290 nan 0.000 0.548 325 P HA 0.379 nan 4.420 nan 0.000 0.287 325 P C 0.088 177.358 177.300 -0.049 0.000 1.290 325 P CA -0.419 62.559 63.100 -0.203 0.000 0.889 325 P CB 1.943 33.089 31.700 -0.923 0.000 1.190 326 V N -0.107 119.806 119.914 -0.000 0.000 3.185 326 V HA 0.055 4.174 4.120 -0.000 0.000 0.305 326 V C 1.895 178.000 176.094 0.019 0.000 1.090 326 V CA -0.154 62.171 62.300 0.041 0.000 1.107 326 V CB -0.517 31.340 31.823 0.056 0.000 1.061 326 V HN 0.480 nan 8.190 nan 0.000 0.480 327 I N 0.360 120.905 120.570 -0.042 0.000 2.127 327 I HA -0.002 4.168 4.170 -0.000 0.000 0.241 327 I C 1.414 177.431 176.117 -0.167 0.000 1.075 327 I CA 1.556 62.751 61.300 -0.175 0.000 1.334 327 I CB -0.232 37.340 38.000 -0.713 0.000 1.040 327 I HN 0.919 nan 8.210 nan 0.000 0.405 328 R N -1.222 119.076 120.500 -0.337 0.000 2.888 328 R HA 0.247 4.587 4.340 -0.000 0.000 0.264 328 R C 0.952 176.690 176.300 -0.937 0.000 1.045 328 R CA -0.308 55.418 56.100 -0.623 0.000 0.962 328 R CB 1.215 31.265 30.300 -0.417 0.000 1.210 328 R HN 0.009 nan 8.270 nan 0.000 0.479 329 E N 0.632 120.025 120.200 -1.346 0.000 2.085 329 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 329 E C 0.949 177.333 176.600 -0.361 0.000 0.994 329 E CA 2.156 58.046 56.400 -0.849 0.000 0.801 329 E CB -0.119 29.269 29.700 -0.520 0.000 0.743 329 E HN 0.625 nan 8.360 nan 0.000 0.453 330 D N -0.325 119.897 120.400 -0.296 0.000 2.133 330 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 330 D C 1.328 177.562 176.300 -0.110 0.000 0.997 330 D CA 1.540 55.444 54.000 -0.159 0.000 0.840 330 D CB -0.220 40.498 40.800 -0.136 0.000 0.947 330 D HN 0.199 nan 8.370 nan 0.000 0.452 331 N N 0.400 119.018 118.700 -0.135 0.000 2.244 331 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 331 N C 1.682 177.195 175.510 0.005 0.000 1.016 331 N CA 0.662 53.688 53.050 -0.040 0.000 0.866 331 N CB -0.155 38.302 38.487 -0.050 0.000 0.980 331 N HN 0.274 nan 8.380 nan 0.000 0.430 332 K N 1.313 121.686 120.400 -0.044 0.000 2.097 332 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 332 K C 1.371 177.997 176.600 0.043 0.000 1.050 332 K CA 1.128 57.428 56.287 0.022 0.000 0.938 332 K CB 0.114 32.629 32.500 0.026 0.000 0.718 332 K HN 0.096 nan 8.250 nan 0.000 0.442 333 K N 0.263 120.669 120.400 0.009 0.000 2.057 333 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 333 K C 2.340 178.957 176.600 0.028 0.000 1.050 333 K CA 1.078 57.374 56.287 0.015 0.000 0.935 333 K CB -0.153 32.340 32.500 -0.012 0.000 0.715 333 K HN 0.120 nan 8.250 nan 0.000 0.439 334 R N 0.857 121.378 120.500 0.035 0.000 2.105 334 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 334 R C 1.896 178.294 176.300 0.164 0.000 1.135 334 R CA 1.819 57.947 56.100 0.047 0.000 0.967 334 R CB -0.193 30.168 30.300 0.101 0.000 0.861 334 R HN 0.148 nan 8.270 nan 0.000 0.442 335 T N 1.310 115.992 114.554 0.214 0.000 2.701 335 T HA -0.112 4.238 4.350 -0.000 0.000 0.263 335 T C 1.659 176.501 174.700 0.237 0.000 1.040 335 T CA 1.054 63.322 62.100 0.279 0.000 1.147 335 T CB -0.142 68.847 68.868 0.203 0.000 0.865 335 T HN 0.074 nan 8.240 nan 0.000 0.426 336 L N 1.247 122.561 121.223 0.152 0.000 2.131 336 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 336 L C 2.715 179.655 176.870 0.116 0.000 1.092 336 L CA 1.309 56.226 54.840 0.128 0.000 0.759 336 L CB -1.042 41.068 42.059 0.086 0.000 0.903 336 L HN 0.235 nan 8.230 nan 0.000 0.435 337 S N -1.684 114.056 115.700 0.067 0.000 2.368 337 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 337 S C 2.153 176.760 174.600 0.011 0.000 1.029 337 S CA 0.928 59.124 58.200 -0.008 0.000 0.988 337 S CB -0.329 62.803 63.200 -0.114 0.000 0.838 337 S HN 0.462 nan 8.310 nan 0.000 0.462 338 Y N 1.407 121.760 120.300 0.088 0.000 2.181 338 Y HA -0.043 4.507 4.550 -0.000 0.000 0.288 338 Y C 2.229 178.201 175.900 0.119 0.000 1.146 338 Y CA 1.508 59.660 58.100 0.086 0.000 1.164 338 Y CB -0.182 38.339 38.460 0.100 0.000 0.982 338 Y HN 0.276 nan 8.280 nan 0.000 0.515 339 I N -0.401 120.391 120.570 0.370 0.000 2.226 339 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 339 I C 2.237 178.576 176.117 0.370 0.000 1.100 339 I CA 1.375 62.959 61.300 0.472 0.000 1.374 339 I CB -0.299 37.905 38.000 0.339 0.000 1.057 339 I HN 0.183 nan 8.210 nan 0.000 0.413 340 E N 1.100 121.427 120.200 0.212 0.000 2.051 340 E HA -0.213 4.136 4.350 -0.000 0.000 0.192 340 E C 2.159 178.826 176.600 0.111 0.000 0.991 340 E CA 1.205 57.690 56.400 0.142 0.000 0.799 340 E CB -0.024 29.725 29.700 0.082 0.000 0.748 340 E HN 0.083 nan 8.360 nan 0.000 0.449 341 K N -0.329 120.121 120.400 0.084 0.000 2.097 341 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 341 K C 2.044 178.647 176.600 0.006 0.000 1.049 341 K CA 1.256 57.571 56.287 0.046 0.000 0.933 341 K CB -0.724 31.808 32.500 0.053 0.000 0.717 341 K HN 0.283 nan 8.250 nan 0.000 0.442 342 G N 1.329 110.082 108.800 -0.078 0.000 2.459 342 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 342 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 342 G C 1.733 176.572 174.900 -0.102 0.000 1.183 342 G CA 0.728 45.588 45.100 -0.400 0.000 0.776 342 G HN 0.239 nan 8.290 nan 0.000 0.552 343 L N 0.123 121.438 121.223 0.153 0.000 2.042 343 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 343 L C 2.782 179.712 176.870 0.100 0.000 1.076 343 L CA 1.579 56.540 54.840 0.200 0.000 0.749 343 L CB -0.363 41.822 42.059 0.210 0.000 0.893 343 L HN 0.335 nan 8.230 nan 0.000 0.432 344 E N 0.441 120.682 120.200 0.070 0.000 2.153 344 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 344 E C 1.654 178.275 176.600 0.034 0.000 0.988 344 E CA 1.075 57.504 56.400 0.048 0.000 0.811 344 E CB 0.134 29.857 29.700 0.039 0.000 0.746 344 E HN 0.557 nan 8.360 nan 0.000 0.466 345 E N -1.255 118.958 120.200 0.020 0.000 2.502 345 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 345 E C 0.918 177.528 176.600 0.018 0.000 1.062 345 E CA 0.355 56.764 56.400 0.014 0.000 0.867 345 E CB 0.514 30.214 29.700 0.000 0.000 0.888 345 E HN 0.453 nan 8.360 nan 0.000 0.510 346 G N 0.944 109.764 108.800 0.034 0.000 2.179 346 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 346 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 346 G C 0.354 175.294 174.900 0.067 0.000 0.990 346 G CA -0.138 44.990 45.100 0.046 0.000 0.646 346 G HN 0.433 nan 8.290 nan 0.000 0.517 347 A N 0.145 123.003 122.820 0.064 0.000 2.425 347 A HA 0.704 5.024 4.320 -0.000 0.000 0.249 347 A C 0.651 178.414 177.584 0.298 0.000 1.084 347 A CA 0.505 52.622 52.037 0.133 0.000 0.781 347 A CB 0.332 19.298 19.000 -0.056 0.000 1.019 347 A HN 0.745 nan 8.150 nan 0.000 0.490 348 R N 2.637 123.313 120.500 0.294 0.000 2.229 348 R HA 0.436 4.775 4.340 -0.000 0.000 0.328 348 R C -0.997 175.422 176.300 0.198 0.000 1.009 348 R CA -0.442 55.790 56.100 0.219 0.000 0.864 348 R CB 0.400 30.773 30.300 0.123 0.000 1.085 348 R HN 0.764 nan 8.270 nan 0.000 0.453 349 L N 5.713 126.965 121.223 0.049 0.000 2.369 349 L HA 0.071 4.411 4.340 -0.000 0.000 0.279 349 L C 0.690 177.470 176.870 -0.150 0.000 1.108 349 L CA -0.210 54.480 54.840 -0.251 0.000 0.852 349 L CB 1.477 43.383 42.059 -0.255 0.000 1.169 349 L HN 0.699 nan 8.230 nan 0.000 0.452 350 V N 3.214 123.027 119.914 -0.168 0.000 2.949 350 V HA -0.012 4.108 4.120 -0.000 0.000 0.245 350 V C 0.390 176.407 176.094 -0.128 0.000 1.086 350 V CA 0.509 62.748 62.300 -0.100 0.000 1.097 350 V CB 1.014 32.801 31.823 -0.059 0.000 0.762 350 V HN 0.817 nan 8.190 nan 0.000 0.470 351 C N 0.591 119.783 119.300 -0.181 0.000 2.551 351 C HA 0.525 4.985 4.460 -0.000 0.000 0.332 351 C C -1.365 173.499 174.990 -0.210 0.000 1.139 351 C CA -0.954 57.959 59.018 -0.174 0.000 1.328 351 C CB 0.757 28.397 27.740 -0.167 0.000 1.903 351 C HN 0.450 nan 8.230 nan 0.000 0.459 352 D N 2.572 122.873 120.400 -0.165 0.000 2.329 352 D HA 0.424 5.064 4.640 -0.000 0.000 0.232 352 D C 0.890 177.127 176.300 -0.106 0.000 1.088 352 D CA 0.106 54.020 54.000 -0.142 0.000 0.835 352 D CB 1.711 42.451 40.800 -0.101 0.000 1.078 352 D HN 0.839 nan 8.370 nan 0.000 0.495 353 G N 3.114 111.862 108.800 -0.087 0.000 3.042 353 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.212 353 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.212 353 G C 1.284 176.179 174.900 -0.009 0.000 1.166 353 G CA -0.140 44.926 45.100 -0.057 0.000 0.767 353 G HN 0.420 nan 8.290 nan 0.000 0.546 354 R N 0.433 120.932 120.500 -0.002 0.000 2.276 354 R HA 0.082 4.422 4.340 -0.000 0.000 0.203 354 R C 0.613 176.920 176.300 0.011 0.000 1.017 354 R CA 0.465 56.579 56.100 0.023 0.000 1.010 354 R CB 0.117 30.435 30.300 0.030 0.000 0.900 354 R HN 0.620 nan 8.270 nan 0.000 0.469 355 E N 0.248 120.441 120.200 -0.012 0.000 2.212 355 E HA 0.196 4.546 4.350 -0.000 0.000 0.270 355 E C -0.824 175.760 176.600 -0.026 0.000 0.956 355 E CA -0.811 55.578 56.400 -0.017 0.000 0.825 355 E CB 0.790 30.473 29.700 -0.028 0.000 1.167 355 E HN 0.032 nan 8.360 nan 0.000 0.400 356 N N -0.530 118.155 118.700 -0.025 0.000 2.738 356 N HA -0.184 4.555 4.740 -0.000 0.000 0.249 356 N C -0.841 174.644 175.510 -0.041 0.000 1.047 356 N CA 0.499 53.527 53.050 -0.037 0.000 0.707 356 N CB -1.230 37.225 38.487 -0.053 0.000 0.937 356 N HN 0.468 nan 8.380 nan 0.000 0.545 357 V N -2.470 117.437 119.914 -0.013 0.000 2.495 357 V HA 0.639 4.759 4.120 -0.000 0.000 0.298 357 V C 0.697 176.801 176.094 0.018 0.000 1.031 357 V CA -0.866 61.435 62.300 0.002 0.000 0.871 357 V CB 1.941 33.808 31.823 0.074 0.000 0.988 357 V HN 0.187 nan 8.190 nan 0.000 0.432 358 S N 1.671 117.349 115.700 -0.037 0.000 2.576 358 S HA 0.104 4.574 4.470 -0.000 0.000 0.272 358 S C 0.591 175.284 174.600 0.155 0.000 1.352 358 S CA 0.660 58.861 58.200 0.003 0.000 1.021 358 S CB 0.787 63.912 63.200 -0.126 0.000 0.887 358 S HN 1.085 nan 8.310 nan 0.000 0.542 359 D N 0.373 120.841 120.400 0.114 0.000 2.395 359 D HA 0.198 4.838 4.640 -0.000 0.000 0.213 359 D C 0.569 176.923 176.300 0.091 0.000 1.110 359 D CA -0.039 54.030 54.000 0.114 0.000 0.835 359 D CB 0.127 40.968 40.800 0.068 0.000 0.965 359 D HN 0.492 nan 8.370 nan 0.000 0.505 360 D N -0.210 120.265 120.400 0.126 0.000 2.144 360 D HA 0.035 4.675 4.640 -0.000 0.000 0.199 360 D C 1.178 177.470 176.300 -0.014 0.000 0.984 360 D CA 0.958 55.005 54.000 0.077 0.000 0.834 360 D CB 0.045 40.917 40.800 0.120 0.000 0.955 360 D HN 0.295 nan 8.370 nan 0.000 0.465 361 G N -1.530 107.284 108.800 0.022 0.000 3.105 361 G HA2 0.405 4.365 3.960 -0.000 0.000 0.277 361 G HA3 0.405 4.365 3.960 -0.000 0.000 0.277 361 G C -1.193 173.377 174.900 -0.550 0.000 1.375 361 G CA -0.870 43.908 45.100 -0.537 0.000 0.962 361 G HN 0.077 nan 8.290 nan 0.000 0.541 362 Y N 0.556 120.577 120.300 -0.466 0.000 2.851 362 Y HA 0.328 4.878 4.550 -0.000 0.000 0.369 362 Y C -0.252 175.451 175.900 -0.327 0.000 1.226 362 Y CA -0.666 57.263 58.100 -0.286 0.000 1.949 362 Y CB -0.525 37.803 38.460 -0.220 0.000 2.059 362 Y HN 0.056 nan 8.280 nan 0.000 0.420 363 F N 0.437 120.447 119.950 0.099 0.000 2.384 363 F HA 0.488 5.014 4.527 -0.000 0.000 0.338 363 F C 0.066 175.905 175.800 0.064 0.000 1.103 363 F CA -1.095 56.943 58.000 0.063 0.000 1.157 363 F CB 1.069 40.082 39.000 0.022 0.000 1.167 363 F HN -0.194 nan 8.300 nan 0.000 0.529 364 V N 2.307 122.380 119.914 0.265 0.000 2.612 364 V HA 0.554 4.674 4.120 -0.000 0.000 0.301 364 V C 0.250 176.415 176.094 0.117 0.000 1.059 364 V CA -1.108 61.288 62.300 0.159 0.000 0.886 364 V CB 1.467 33.372 31.823 0.137 0.000 1.007 364 V HN 0.952 nan 8.190 nan 0.000 0.426 365 G N 4.745 113.574 108.800 0.048 0.000 2.634 365 G HA2 0.501 4.461 3.960 -0.000 0.000 0.255 365 G HA3 0.501 4.461 3.960 -0.000 0.000 0.255 365 G C -2.441 172.398 174.900 -0.101 0.000 1.205 365 G CA -1.032 44.047 45.100 -0.034 0.000 0.884 365 G HN 0.538 nan 8.290 nan 0.000 0.549 366 P HA 0.189 nan 4.420 nan 0.000 0.269 366 P C -0.457 176.642 177.300 -0.335 0.000 1.209 366 P CA 0.153 62.921 63.100 -0.553 0.000 0.776 366 P CB 1.093 32.029 31.700 -1.274 0.000 0.876 367 T N 2.957 117.430 114.554 -0.135 0.000 2.893 367 T HA 0.624 4.974 4.350 -0.000 0.000 0.293 367 T C -0.218 174.524 174.700 0.070 0.000 1.027 367 T CA -0.284 61.777 62.100 -0.065 0.000 0.988 367 T CB 0.885 69.750 68.868 -0.005 0.000 1.043 367 T HN 0.458 nan 8.240 nan 0.000 0.461 368 I N 0.331 120.866 120.570 -0.058 0.000 2.534 368 I HA 0.770 4.940 4.170 -0.000 0.000 0.288 368 I C -1.815 174.243 176.117 -0.098 0.000 1.077 368 I CA -0.784 60.550 61.300 0.057 0.000 1.051 368 I CB 1.060 39.125 38.000 0.108 0.000 1.234 368 I HN 0.482 nan 8.210 nan 0.000 0.425 369 F N 4.255 124.262 119.950 0.095 0.000 2.432 369 F HA 0.633 5.159 4.527 -0.000 0.000 0.329 369 F C 0.379 176.225 175.800 0.077 0.000 1.076 369 F CA 0.071 58.119 58.000 0.081 0.000 1.018 369 F CB 1.384 40.439 39.000 0.091 0.000 1.201 369 F HN 0.595 nan 8.300 nan 0.000 0.489 370 D N -0.013 120.551 120.400 0.274 0.000 2.414 370 D HA 0.278 4.918 4.640 -0.000 0.000 0.241 370 D C -0.709 175.692 176.300 0.169 0.000 1.008 370 D CA -0.568 53.537 54.000 0.175 0.000 1.001 370 D CB 1.114 41.980 40.800 0.110 0.000 1.277 370 D HN 0.624 nan 8.370 nan 0.000 0.538 371 N N -0.425 118.344 118.700 0.116 0.000 2.714 371 N HA -0.188 4.551 4.740 -0.000 0.000 0.252 371 N C -0.104 175.451 175.510 0.075 0.000 1.014 371 N CA 0.476 53.577 53.050 0.084 0.000 0.735 371 N CB -1.019 37.514 38.487 0.076 0.000 0.924 371 N HN 0.284 nan 8.380 nan 0.000 0.540 372 V N -1.852 118.109 119.914 0.078 0.000 2.837 372 V HA 0.847 4.966 4.120 -0.000 0.000 0.310 372 V C 0.740 176.820 176.094 -0.024 0.000 1.059 372 V CA 0.143 62.471 62.300 0.047 0.000 1.004 372 V CB 1.993 33.870 31.823 0.090 0.000 1.045 372 V HN 0.243 nan 8.190 nan 0.000 0.465 373 T N -0.662 113.848 114.554 -0.075 0.000 2.907 373 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 373 T C 0.816 175.294 174.700 -0.370 0.000 1.066 373 T CA 0.128 62.111 62.100 -0.196 0.000 1.012 373 T CB 1.175 69.968 68.868 -0.127 0.000 1.184 373 T HN 1.224 nan 8.240 nan 0.000 0.522 374 T N -1.490 112.676 114.554 -0.646 0.000 3.163 374 T HA 0.055 4.405 4.350 -0.000 0.000 0.260 374 T C 0.989 175.523 174.700 -0.276 0.000 1.156 374 T CA 0.312 61.783 62.100 -1.049 0.000 1.072 374 T CB -0.315 67.813 68.868 -1.234 0.000 0.937 374 T HN 0.609 nan 8.240 nan 0.000 0.528 375 E N 1.037 121.161 120.200 -0.126 0.000 2.190 375 E HA 0.219 4.569 4.350 -0.000 0.000 0.191 375 E C 0.845 177.492 176.600 0.079 0.000 0.978 375 E CA 0.288 56.688 56.400 -0.001 0.000 0.839 375 E CB -0.131 29.559 29.700 -0.018 0.000 0.787 375 E HN 0.637 nan 8.360 nan 0.000 0.473 376 M N 0.814 120.465 119.600 0.085 0.000 2.243 376 M HA 0.059 4.539 4.480 -0.000 0.000 0.341 376 M C 1.385 177.807 176.300 0.203 0.000 1.130 376 M CA 0.156 55.525 55.300 0.115 0.000 1.162 376 M CB 0.613 33.251 32.600 0.064 0.000 1.497 376 M HN -0.218 nan 8.290 nan 0.000 0.456 377 T N 2.142 116.790 114.554 0.158 0.000 2.833 377 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 377 T C 1.531 176.344 174.700 0.188 0.000 1.054 377 T CA 1.338 63.555 62.100 0.195 0.000 1.135 377 T CB -0.425 68.560 68.868 0.195 0.000 0.869 377 T HN 0.756 nan 8.240 nan 0.000 0.466 378 I N -2.201 118.440 120.570 0.118 0.000 3.176 378 I HA 0.073 4.243 4.170 -0.000 0.000 0.275 378 I C 2.046 178.198 176.117 0.059 0.000 1.298 378 I CA 0.752 62.060 61.300 0.013 0.000 1.445 378 I CB -0.297 37.626 38.000 -0.128 0.000 1.075 378 I HN 0.245 nan 8.210 nan 0.000 0.482 379 W N 2.146 123.445 121.300 -0.002 0.000 2.699 379 W HA 0.179 4.839 4.660 -0.000 0.000 0.265 379 W C 2.088 178.668 176.519 0.103 0.000 1.210 379 W CA 0.307 57.674 57.345 0.037 0.000 1.414 379 W CB 0.305 29.794 29.460 0.050 0.000 1.043 379 W HN -0.229 nan 8.180 nan 0.000 0.599 380 K N 0.100 120.606 120.400 0.177 0.000 2.167 380 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 380 K C -0.336 176.295 176.600 0.052 0.000 1.052 380 K CA 0.754 57.073 56.287 0.054 0.000 0.956 380 K CB -0.197 32.452 32.500 0.248 0.000 0.735 380 K HN -0.061 nan 8.250 nan 0.000 0.451 381 D N 1.242 121.680 120.400 0.062 0.000 2.193 381 D HA 0.056 4.696 4.640 -0.000 0.000 0.249 381 D C -0.696 175.549 176.300 -0.092 0.000 1.034 381 D CA -0.263 53.778 54.000 0.069 0.000 0.902 381 D CB 1.194 42.069 40.800 0.126 0.000 1.182 381 D HN -0.006 nan 8.370 nan 0.000 0.436 382 E N 1.737 121.881 120.200 -0.093 0.000 2.105 382 E HA 0.134 4.484 4.350 -0.000 0.000 0.285 382 E C 0.584 177.092 176.600 -0.154 0.000 1.055 382 E CA -0.228 56.053 56.400 -0.199 0.000 0.843 382 E CB 0.396 29.892 29.700 -0.339 0.000 1.067 382 E HN 0.422 nan 8.360 nan 0.000 0.398 383 I N 4.418 124.860 120.570 -0.215 0.000 2.480 383 I HA -0.050 4.120 4.170 -0.000 0.000 0.251 383 I C 0.721 176.906 176.117 0.113 0.000 1.124 383 I CA 0.245 61.393 61.300 -0.254 0.000 1.444 383 I CB -0.038 37.754 38.000 -0.347 0.000 1.098 383 I HN 0.726 nan 8.210 nan 0.000 0.428 384 F N 1.069 120.974 119.950 -0.075 0.000 3.039 384 F HA -0.273 4.254 4.527 -0.000 0.000 0.287 384 F C 0.139 175.974 175.800 0.059 0.000 0.956 384 F CA 0.002 58.001 58.000 -0.002 0.000 0.971 384 F CB -0.750 38.272 39.000 0.036 0.000 0.943 384 F HN 0.217 nan 8.300 nan 0.000 0.766 385 A N 0.606 123.449 122.820 0.039 0.000 2.564 385 A HA 0.732 5.052 4.320 -0.000 0.000 0.291 385 A C -2.703 174.947 177.584 0.111 0.000 1.102 385 A CA -0.814 51.266 52.037 0.072 0.000 0.660 385 A CB 1.141 20.227 19.000 0.144 0.000 1.283 385 A HN -0.065 nan 8.150 nan 0.000 0.430 386 P HA 0.252 nan 4.420 nan 0.000 0.235 386 P C -0.830 176.720 177.300 0.417 0.000 1.720 386 P CA 0.501 63.831 63.100 0.382 0.000 1.003 386 P CB -0.411 31.477 31.700 0.313 0.000 1.968 387 V N 3.325 123.427 119.914 0.314 0.000 2.419 387 V HA 0.288 4.408 4.120 -0.000 0.000 0.287 387 V C 0.081 176.305 176.094 0.216 0.000 1.017 387 V CA -0.679 61.800 62.300 0.297 0.000 0.844 387 V CB 2.500 34.466 31.823 0.237 0.000 1.011 387 V HN 0.273 nan 8.190 nan 0.000 0.429 388 L N 3.997 125.381 121.223 0.268 0.000 2.313 388 L HA 0.656 4.995 4.340 -0.000 0.000 0.283 388 L C -0.057 176.939 176.870 0.211 0.000 1.013 388 L CA 0.048 54.967 54.840 0.131 0.000 0.816 388 L CB 2.000 44.086 42.059 0.045 0.000 1.236 388 L HN 0.638 nan 8.230 nan 0.000 0.419 389 S N 3.350 119.150 115.700 0.167 0.000 2.489 389 S HA 0.599 5.069 4.470 -0.000 0.000 0.291 389 S C -0.469 174.234 174.600 0.171 0.000 1.151 389 S CA -0.532 57.797 58.200 0.215 0.000 1.082 389 S CB 1.985 65.301 63.200 0.194 0.000 1.019 389 S HN 0.389 nan 8.310 nan 0.000 0.492 390 V N 4.153 124.179 119.914 0.188 0.000 2.555 390 V HA 0.569 4.689 4.120 -0.000 0.000 0.302 390 V C -0.520 175.659 176.094 0.142 0.000 1.038 390 V CA -0.584 61.818 62.300 0.171 0.000 0.887 390 V CB 1.514 33.458 31.823 0.201 0.000 0.991 390 V HN 0.784 nan 8.190 nan 0.000 0.434 391 I N 4.311 124.952 120.570 0.118 0.000 2.533 391 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 391 I C -0.149 176.008 176.117 0.067 0.000 1.056 391 I CA -0.697 60.654 61.300 0.084 0.000 1.057 391 I CB 2.143 40.187 38.000 0.073 0.000 1.240 391 I HN 0.452 nan 8.210 nan 0.000 0.423 392 R N 5.010 125.542 120.500 0.054 0.000 2.308 392 R HA 0.596 4.936 4.340 -0.000 0.000 0.305 392 R C -0.583 175.732 176.300 0.026 0.000 1.053 392 R CA -0.521 55.603 56.100 0.040 0.000 0.957 392 R CB 1.724 32.048 30.300 0.041 0.000 1.022 392 R HN 0.514 nan 8.270 nan 0.000 0.461 393 V N -0.498 119.428 119.914 0.020 0.000 3.046 393 V HA 0.358 4.478 4.120 -0.000 0.000 0.316 393 V C 0.882 176.981 176.094 0.009 0.000 1.104 393 V CA -0.975 61.335 62.300 0.018 0.000 1.006 393 V CB 2.181 34.022 31.823 0.030 0.000 1.058 393 V HN 0.779 nan 8.190 nan 0.000 0.440 394 K N 1.312 121.716 120.400 0.007 0.000 2.243 394 K HA 0.142 4.462 4.320 -0.000 0.000 0.201 394 K C 0.509 177.104 176.600 -0.007 0.000 1.051 394 K CA 1.316 57.603 56.287 -0.001 0.000 0.970 394 K CB 0.054 32.553 32.500 -0.001 0.000 0.755 394 K HN 1.037 nan 8.250 nan 0.000 0.465 395 N N -2.112 116.586 118.700 -0.004 0.000 3.356 395 N HA -0.085 4.655 4.740 -0.000 0.000 0.246 395 N C 0.203 175.714 175.510 0.001 0.000 1.480 395 N CA -0.621 52.420 53.050 -0.016 0.000 0.877 395 N CB 0.319 38.785 38.487 -0.035 0.000 1.431 395 N HN -0.141 nan 8.380 nan 0.000 0.500 396 L N 1.279 122.495 121.223 -0.012 0.000 2.081 396 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 396 L C 2.475 179.407 176.870 0.104 0.000 1.080 396 L CA 1.954 56.816 54.840 0.036 0.000 0.754 396 L CB -0.740 41.326 42.059 0.012 0.000 0.893 396 L HN 0.770 nan 8.230 nan 0.000 0.433 397 K N -0.544 119.885 120.400 0.049 0.000 2.026 397 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 397 K C 2.172 178.844 176.600 0.120 0.000 1.048 397 K CA 1.861 58.224 56.287 0.127 0.000 0.929 397 K CB -0.197 32.330 32.500 0.044 0.000 0.713 397 K HN 0.552 nan 8.250 nan 0.000 0.439 398 E N -0.152 120.090 120.200 0.071 0.000 2.106 398 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 398 E C 1.748 178.400 176.600 0.087 0.000 0.984 398 E CA 0.891 57.328 56.400 0.063 0.000 0.806 398 E CB -0.070 29.652 29.700 0.036 0.000 0.750 398 E HN 0.403 nan 8.360 nan 0.000 0.458 399 A N 1.365 124.246 122.820 0.101 0.000 1.865 399 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 399 A C 2.160 179.846 177.584 0.170 0.000 1.191 399 A CA 1.583 53.702 52.037 0.135 0.000 0.623 399 A CB -0.715 18.357 19.000 0.120 0.000 0.826 399 A HN 0.342 nan 8.150 nan 0.000 0.444 400 I N -0.367 120.312 120.570 0.182 0.000 2.286 400 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 400 I C 2.369 178.553 176.117 0.110 0.000 1.115 400 I CA 1.546 62.948 61.300 0.170 0.000 1.392 400 I CB -0.575 37.543 38.000 0.195 0.000 1.065 400 I HN 0.447 nan 8.210 nan 0.000 0.418 401 E N 1.013 121.277 120.200 0.107 0.000 2.153 401 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 401 E C 2.270 178.921 176.600 0.085 0.000 0.988 401 E CA 1.138 57.585 56.400 0.079 0.000 0.811 401 E CB -0.026 29.713 29.700 0.066 0.000 0.746 401 E HN 0.534 nan 8.360 nan 0.000 0.466 402 I N 1.057 121.692 120.570 0.109 0.000 2.233 402 I HA -0.199 3.971 4.170 -0.000 0.000 0.243 402 I C 2.595 178.850 176.117 0.230 0.000 1.093 402 I CA 0.763 62.160 61.300 0.161 0.000 1.380 402 I CB -0.316 37.793 38.000 0.182 0.000 1.067 402 I HN 0.062 nan 8.210 nan 0.000 0.413 403 A N 1.153 124.000 122.820 0.045 0.000 1.908 403 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 403 A C 1.969 179.471 177.584 -0.137 0.000 1.181 403 A CA 2.113 53.924 52.037 -0.377 0.000 0.627 403 A CB -0.739 18.145 19.000 -0.192 0.000 0.818 403 A HN 0.410 nan 8.150 nan 0.000 0.445 404 N N -0.498 118.202 118.700 0.000 0.000 2.381 404 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 404 N C 1.476 177.032 175.510 0.077 0.000 1.025 404 N CA 1.282 54.349 53.050 0.028 0.000 0.888 404 N CB -0.278 38.227 38.487 0.029 0.000 0.965 404 N HN 0.681 nan 8.380 nan 0.000 0.438 405 K N 0.393 120.888 120.400 0.159 0.000 2.288 405 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 405 K C 0.539 177.343 176.600 0.339 0.000 1.048 405 K CA 0.117 56.549 56.287 0.241 0.000 0.956 405 K CB 0.064 32.717 32.500 0.254 0.000 0.746 405 K HN -0.011 nan 8.250 nan 0.000 0.461 406 S N 0.934 116.799 115.700 0.275 0.000 2.572 406 S HA -0.036 4.434 4.470 -0.000 0.000 0.279 406 S C 0.994 175.555 174.600 -0.066 0.000 1.341 406 S CA -0.255 57.941 58.200 -0.007 0.000 1.043 406 S CB 1.056 64.163 63.200 -0.156 0.000 0.887 406 S HN 0.454 nan 8.310 nan 0.000 0.516 407 E N 3.356 123.425 120.200 -0.218 0.000 2.274 407 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 407 E C -0.388 175.967 176.600 -0.408 0.000 0.996 407 E CA 0.538 56.732 56.400 -0.344 0.000 0.840 407 E CB -0.141 29.257 29.700 -0.503 0.000 0.772 407 E HN 0.625 nan 8.360 nan 0.000 0.491 408 F N 0.879 120.782 119.950 -0.077 0.000 2.375 408 F HA 0.497 5.024 4.527 -0.000 0.000 0.333 408 F C 0.529 176.304 175.800 -0.041 0.000 1.104 408 F CA -0.505 57.458 58.000 -0.062 0.000 1.149 408 F CB 1.733 40.701 39.000 -0.052 0.000 1.190 408 F HN -0.015 nan 8.300 nan 0.000 0.533 409 A N 2.199 125.128 122.820 0.182 0.000 3.448 409 A HA 0.210 4.530 4.320 -0.000 0.000 0.232 409 A C 0.229 177.882 177.584 0.116 0.000 1.018 409 A CA -0.490 51.623 52.037 0.127 0.000 0.996 409 A CB -0.593 18.496 19.000 0.148 0.000 1.283 409 A HN 0.924 nan 8.150 nan 0.000 0.586 410 N N 0.344 119.104 118.700 0.100 0.000 2.124 410 N HA 0.134 4.873 4.740 -0.000 0.000 0.189 410 N C 0.955 176.436 175.510 -0.050 0.000 1.050 410 N CA 1.261 54.334 53.050 0.038 0.000 0.848 410 N CB 0.176 38.705 38.487 0.069 0.000 1.027 410 N HN 0.556 nan 8.380 nan 0.000 0.435 411 G N -0.893 107.899 108.800 -0.013 0.000 2.680 411 G HA2 0.728 4.688 3.960 -0.000 0.000 0.290 411 G HA3 0.728 4.688 3.960 -0.000 0.000 0.290 411 G C -1.929 173.003 174.900 0.054 0.000 1.355 411 G CA -0.267 44.812 45.100 -0.035 0.000 0.903 411 G HN 0.433 nan 8.290 nan 0.000 0.474 412 A N -1.167 121.708 122.820 0.092 0.000 2.604 412 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 412 A C -0.999 176.746 177.584 0.268 0.000 1.067 412 A CA -0.503 51.674 52.037 0.234 0.000 0.683 412 A CB 1.068 20.260 19.000 0.320 0.000 1.281 412 A HN 1.269 nan 8.150 nan 0.000 0.407 413 C N 0.445 119.850 119.300 0.176 0.000 2.779 413 C HA 0.890 5.350 4.460 -0.000 0.000 0.314 413 C C -0.987 173.810 174.990 -0.321 0.000 1.231 413 C CA -0.534 58.460 59.018 -0.040 0.000 1.652 413 C CB 1.411 29.169 27.740 0.030 0.000 2.198 413 C HN 0.987 nan 8.230 nan 0.000 0.483 414 L N 1.669 122.539 121.223 -0.589 0.000 2.476 414 L HA 0.661 5.000 4.340 -0.000 0.000 0.269 414 L C -1.667 174.868 176.870 -0.559 0.000 0.965 414 L CA -0.091 54.358 54.840 -0.652 0.000 0.845 414 L CB 0.760 42.138 42.059 -1.135 0.000 1.259 414 L HN 0.617 nan 8.230 nan 0.000 0.403 415 F N 4.256 124.070 119.950 -0.228 0.000 2.361 415 F HA 0.768 5.295 4.527 -0.000 0.000 0.364 415 F C 0.637 176.357 175.800 -0.135 0.000 1.120 415 F CA -0.017 57.894 58.000 -0.150 0.000 1.102 415 F CB 1.758 40.683 39.000 -0.125 0.000 1.183 415 F HN 0.611 nan 8.300 nan 0.000 0.476 416 T N 0.660 115.193 114.554 -0.035 0.000 2.676 416 T HA 0.276 4.626 4.350 -0.000 0.000 0.308 416 T C -0.316 174.362 174.700 -0.037 0.000 1.740 416 T CA -0.499 61.583 62.100 -0.030 0.000 0.982 416 T CB 1.186 70.017 68.868 -0.062 0.000 1.724 416 T HN 0.253 nan 8.240 nan 0.000 0.497 417 S N 1.086 116.773 115.700 -0.022 0.000 2.819 417 S HA 0.293 4.763 4.470 -0.000 0.000 0.249 417 S C 0.053 174.642 174.600 -0.018 0.000 1.030 417 S CA -0.419 57.770 58.200 -0.019 0.000 1.052 417 S CB -0.187 63.009 63.200 -0.006 0.000 1.017 417 S HN 0.613 nan 8.310 nan 0.000 0.576 418 N N 1.150 119.837 118.700 -0.021 0.000 2.420 418 N HA 0.221 4.961 4.740 -0.000 0.000 0.249 418 N C 0.971 176.478 175.510 -0.006 0.000 1.033 418 N CA -0.055 52.986 53.050 -0.014 0.000 0.944 418 N CB 0.677 39.154 38.487 -0.018 0.000 1.113 418 N HN -0.109 nan 8.380 nan 0.000 0.502 419 S N 2.799 118.498 115.700 -0.002 0.000 2.374 419 S HA -0.197 4.273 4.470 -0.000 0.000 0.227 419 S C 1.291 175.905 174.600 0.024 0.000 1.037 419 S CA 1.390 59.594 58.200 0.007 0.000 1.024 419 S CB -0.386 62.816 63.200 0.003 0.000 0.861 419 S HN 0.715 nan 8.310 nan 0.000 0.456 420 N N 1.477 120.190 118.700 0.022 0.000 2.188 420 N HA -0.012 4.728 4.740 -0.000 0.000 0.184 420 N C 1.983 177.537 175.510 0.072 0.000 1.018 420 N CA 0.899 53.972 53.050 0.039 0.000 0.858 420 N CB -0.268 38.227 38.487 0.012 0.000 0.989 420 N HN 0.416 nan 8.380 nan 0.000 0.426 421 A N 1.390 124.236 122.820 0.044 0.000 1.902 421 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 421 A C 2.138 179.809 177.584 0.145 0.000 1.181 421 A CA 0.990 53.069 52.037 0.069 0.000 0.623 421 A CB -0.620 18.383 19.000 0.005 0.000 0.818 421 A HN 0.176 nan 8.150 nan 0.000 0.443 422 I N -0.969 119.657 120.570 0.092 0.000 2.179 422 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 422 I C 2.742 178.958 176.117 0.164 0.000 1.088 422 I CA 1.783 63.156 61.300 0.122 0.000 1.357 422 I CB -0.341 37.687 38.000 0.046 0.000 1.051 422 I HN 0.390 nan 8.210 nan 0.000 0.409 423 R N 0.291 120.857 120.500 0.111 0.000 2.073 423 R HA -0.255 4.085 4.340 -0.000 0.000 0.234 423 R C 2.577 178.929 176.300 0.087 0.000 1.134 423 R CA 1.853 57.996 56.100 0.072 0.000 0.952 423 R CB -0.577 29.755 30.300 0.054 0.000 0.850 423 R HN 0.302 nan 8.270 nan 0.000 0.433 424 Y N 0.459 120.782 120.300 0.038 0.000 2.165 424 Y HA -0.295 4.255 4.550 0.000 0.000 0.286 424 Y C 1.955 177.893 175.900 0.064 0.000 1.155 424 Y CA 2.080 60.203 58.100 0.038 0.000 1.164 424 Y CB -0.493 37.995 38.460 0.047 0.000 0.978 424 Y HN 0.174 nan 8.280 nan 0.000 0.513 425 F N 1.031 121.038 119.950 0.096 0.000 2.075 425 F HA -0.195 4.332 4.527 -0.000 0.000 0.297 425 F C 2.666 178.413 175.800 -0.089 0.000 1.113 425 F CA 2.208 60.216 58.000 0.013 0.000 1.218 425 F CB -0.738 38.275 39.000 0.021 0.000 0.984 425 F HN -0.064 nan 8.300 nan 0.000 0.472 426 R N 0.306 120.672 120.500 -0.223 0.000 2.120 426 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 426 R C 1.962 178.059 176.300 -0.338 0.000 1.123 426 R CA 1.578 57.456 56.100 -0.370 0.000 0.975 426 R CB -0.320 29.874 30.300 -0.177 0.000 0.866 426 R HN 0.327 nan 8.270 nan 0.000 0.446 427 E N 0.176 120.213 120.200 -0.271 0.000 2.158 427 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 427 E C 1.062 177.471 176.600 -0.319 0.000 0.982 427 E CA 1.099 57.339 56.400 -0.268 0.000 0.823 427 E CB -0.083 29.483 29.700 -0.223 0.000 0.766 427 E HN 0.490 nan 8.360 nan 0.000 0.468 428 N N -0.267 118.191 118.700 -0.404 0.000 2.250 428 N HA 0.049 4.789 4.740 -0.000 0.000 0.190 428 N C 0.447 175.794 175.510 -0.271 0.000 1.116 428 N CA -0.184 52.653 53.050 -0.355 0.000 0.881 428 N CB 0.985 39.175 38.487 -0.496 0.000 1.006 428 N HN 0.020 nan 8.380 nan 0.000 0.491 429 I N 1.667 122.022 120.570 -0.358 0.000 2.588 429 I HA -0.047 4.123 4.170 -0.000 0.000 0.283 429 I C 0.372 176.338 176.117 -0.253 0.000 1.119 429 I CA 0.455 61.550 61.300 -0.341 0.000 1.419 429 I CB 0.848 38.407 38.000 -0.735 0.000 1.394 429 I HN 0.126 nan 8.210 nan 0.000 0.562 430 D N 5.491 125.813 120.400 -0.130 0.000 2.162 430 D HA 0.035 4.674 4.640 -0.000 0.000 0.203 430 D C 0.876 177.154 176.300 -0.037 0.000 0.967 430 D CA 0.530 54.510 54.000 -0.034 0.000 0.840 430 D CB 0.002 40.843 40.800 0.069 0.000 0.972 430 D HN 0.657 nan 8.370 nan 0.000 0.482 431 A N 0.121 122.900 122.820 -0.068 0.000 2.547 431 A HA 0.347 4.667 4.320 -0.000 0.000 0.233 431 A C 1.502 178.981 177.584 -0.176 0.000 1.067 431 A CA 0.787 52.785 52.037 -0.065 0.000 0.763 431 A CB 0.251 19.216 19.000 -0.058 0.000 1.007 431 A HN 0.258 nan 8.150 nan 0.000 0.506 432 G N 0.198 108.891 108.800 -0.179 0.000 2.921 432 G HA2 0.350 4.310 3.960 -0.000 0.000 0.213 432 G HA3 0.350 4.310 3.960 -0.000 0.000 0.213 432 G C 0.361 175.048 174.900 -0.356 0.000 1.143 432 G CA -0.151 44.767 45.100 -0.304 0.000 0.764 432 G HN 0.576 nan 8.290 nan 0.000 0.542 433 M N 1.854 121.259 119.600 -0.325 0.000 2.027 433 M HA 0.406 4.886 4.480 -0.000 0.000 0.329 433 M C -1.459 174.700 176.300 -0.234 0.000 0.971 433 M CA -0.585 54.496 55.300 -0.364 0.000 0.933 433 M CB 2.050 34.348 32.600 -0.502 0.000 1.392 433 M HN -0.175 nan 8.290 nan 0.000 0.394 434 L N 2.057 123.153 121.223 -0.211 0.000 2.325 434 L HA 0.825 5.164 4.340 -0.000 0.000 0.279 434 L C 0.519 177.351 176.870 -0.063 0.000 1.054 434 L CA -0.291 54.502 54.840 -0.078 0.000 0.804 434 L CB 1.726 43.724 42.059 -0.102 0.000 1.200 434 L HN 0.671 nan 8.230 nan 0.000 0.436 435 G N 3.663 112.465 108.800 0.004 0.000 2.666 435 G HA2 0.631 4.591 3.960 -0.000 0.000 0.303 435 G HA3 0.631 4.591 3.960 -0.000 0.000 0.303 435 G C -1.135 173.658 174.900 -0.178 0.000 1.412 435 G CA -0.297 44.748 45.100 -0.092 0.000 0.979 435 G HN 0.287 nan 8.290 nan 0.000 0.507 436 I N 2.402 122.847 120.570 -0.209 0.000 2.330 436 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 436 I C 0.186 176.059 176.117 -0.407 0.000 1.001 436 I CA -0.834 60.283 61.300 -0.306 0.000 1.193 436 I CB 0.887 38.784 38.000 -0.171 0.000 1.345 436 I HN 0.596 nan 8.210 nan 0.000 0.461 437 N N 4.599 122.829 118.700 -0.784 0.000 2.747 437 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 437 N C -0.821 174.436 175.510 -0.423 0.000 1.107 437 N CA 0.783 53.361 53.050 -0.787 0.000 0.707 437 N CB -0.933 37.407 38.487 -0.246 0.000 1.054 437 N HN 0.557 nan 8.380 nan 0.000 0.555 438 L N -1.272 119.669 121.223 -0.471 0.000 2.431 438 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 438 L C 1.694 178.627 176.870 0.105 0.000 0.978 438 L CA -0.537 54.268 54.840 -0.057 0.000 0.822 438 L CB 1.896 43.914 42.059 -0.069 0.000 1.310 438 L HN 0.034 nan 8.230 nan 0.000 0.409 439 G N 2.215 111.177 108.800 0.270 0.000 2.414 439 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.215 439 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.215 439 G C 0.470 175.454 174.900 0.141 0.000 1.188 439 G CA 0.511 45.772 45.100 0.267 0.000 0.783 439 G HN 0.278 nan 8.290 nan 0.000 0.537 440 V N 2.955 122.925 119.914 0.093 0.000 2.328 440 V HA 0.258 4.378 4.120 -0.000 0.000 0.278 440 V C -1.282 174.826 176.094 0.022 0.000 1.021 440 V CA -1.148 61.191 62.300 0.066 0.000 0.838 440 V CB 1.836 33.708 31.823 0.081 0.000 0.999 440 V HN 0.255 nan 8.190 nan 0.000 0.447 441 P HA 0.130 nan 4.420 nan 0.000 0.256 441 P C 0.427 177.640 177.300 -0.144 0.000 1.335 441 P CA 0.012 63.065 63.100 -0.079 0.000 0.808 441 P CB 0.334 31.986 31.700 -0.081 0.000 1.305 442 A N 2.991 125.761 122.820 -0.084 0.000 2.522 442 A HA 0.317 4.637 4.320 -0.000 0.000 0.256 442 A C -1.632 175.888 177.584 -0.106 0.000 1.086 442 A CA -0.822 51.163 52.037 -0.086 0.000 0.763 442 A CB -0.739 18.359 19.000 0.164 0.000 1.024 442 A HN 0.203 nan 8.150 nan 0.000 0.502 443 P HA 0.273 nan 4.420 nan 0.000 0.281 443 P C -0.120 177.105 177.300 -0.126 0.000 1.249 443 P CA -0.406 62.591 63.100 -0.172 0.000 0.810 443 P CB 0.684 32.219 31.700 -0.275 0.000 1.008 444 M N 1.235 120.725 119.600 -0.182 0.000 2.232 444 M HA 0.103 4.583 4.480 -0.000 0.000 0.321 444 M C 1.823 177.684 176.300 -0.731 0.000 1.101 444 M CA -0.167 54.826 55.300 -0.511 0.000 1.181 444 M CB 0.294 32.384 32.600 -0.849 0.000 1.432 444 M HN 0.473 nan 8.290 nan 0.000 0.457 445 A N 2.160 124.535 122.820 -0.743 0.000 2.009 445 A HA -0.198 4.122 4.320 -0.000 0.000 0.222 445 A C 1.357 178.321 177.584 -1.034 0.000 1.175 445 A CA 2.008 53.641 52.037 -0.674 0.000 0.651 445 A CB -1.029 17.725 19.000 -0.409 0.000 0.815 445 A HN 0.827 nan 8.150 nan 0.000 0.459 446 F N -3.267 116.095 119.950 -0.981 0.000 2.816 446 F HA 0.516 5.043 4.527 -0.000 0.000 0.302 446 F C 0.181 175.370 175.800 -1.018 0.000 1.178 446 F CA -0.994 56.086 58.000 -1.534 0.000 1.421 446 F CB -1.105 37.256 39.000 -1.065 0.000 1.114 446 F HN 0.039 nan 8.300 nan 0.000 0.573 447 F N 2.035 121.739 119.950 -0.410 0.000 2.546 447 F HA 0.534 5.061 4.527 -0.000 0.000 0.320 447 F C -2.258 173.387 175.800 -0.258 0.000 1.076 447 F CA -2.959 54.907 58.000 -0.223 0.000 0.928 447 F CB 2.068 40.947 39.000 -0.201 0.000 1.189 447 F HN -0.339 nan 8.300 nan 0.000 0.465 448 P HA 0.043 nan 4.420 nan 0.000 0.278 448 P C -0.655 176.534 177.300 -0.184 0.000 1.238 448 P CA -0.153 62.908 63.100 -0.066 0.000 0.794 448 P CB 0.758 32.463 31.700 0.008 0.000 0.955 449 F N 2.839 122.532 119.950 -0.429 0.000 2.619 449 F HA 0.067 4.594 4.527 -0.000 0.000 0.350 449 F C 0.686 176.101 175.800 -0.641 0.000 1.259 449 F CA 0.037 57.730 58.000 -0.513 0.000 1.204 449 F CB -0.404 38.181 39.000 -0.692 0.000 1.556 449 F HN 0.142 nan 8.300 nan 0.000 0.650 450 S N 2.749 117.949 115.700 -0.834 0.000 2.681 450 S HA 0.574 5.044 4.470 -0.000 0.000 0.313 450 S C 0.577 174.697 174.600 -0.801 0.000 1.137 450 S CA -0.464 56.924 58.200 -1.353 0.000 1.045 450 S CB 0.322 62.948 63.200 -0.957 0.000 1.208 450 S HN 0.610 nan 8.310 nan 0.000 0.523 451 G N 1.866 110.328 108.800 -0.562 0.000 2.537 451 G HA2 0.576 4.536 3.960 -0.000 0.000 0.297 451 G HA3 0.576 4.536 3.960 -0.000 0.000 0.297 451 G C -1.133 173.912 174.900 0.242 0.000 1.310 451 G CA -1.110 43.928 45.100 -0.104 0.000 1.027 451 G HN 0.710 nan 8.290 nan 0.000 0.505 452 W N -0.690 120.613 121.300 0.004 0.000 3.025 452 W HA 0.379 5.039 4.660 -0.000 0.000 0.343 452 W C -0.213 176.312 176.519 0.010 0.000 1.246 452 W CA -0.647 56.734 57.345 0.059 0.000 1.178 452 W CB 1.412 30.865 29.460 -0.012 0.000 1.463 452 W HN 0.790 nan 8.180 nan 0.000 0.578 453 K N -0.046 119.979 120.400 -0.625 0.000 1.882 453 K HA -0.278 4.042 4.320 -0.000 0.000 0.199 453 K C 0.895 177.222 176.600 -0.455 0.000 1.562 453 K CA 1.659 57.630 56.287 -0.526 0.000 0.515 453 K CB -1.652 30.688 32.500 -0.267 0.000 0.682 453 K HN 0.425 nan 8.250 nan 0.000 0.843 454 S N 0.658 116.153 115.700 -0.342 0.000 2.584 454 S HA -0.046 4.424 4.470 -0.000 0.000 0.240 454 S C 1.472 175.906 174.600 -0.278 0.000 0.975 454 S CA 1.253 59.233 58.200 -0.367 0.000 0.949 454 S CB -0.117 62.832 63.200 -0.419 0.000 0.761 454 S HN 0.407 nan 8.310 nan 0.000 0.536 455 S N 0.247 115.873 115.700 -0.123 0.000 2.524 455 S HA 0.308 4.778 4.470 -0.000 0.000 0.216 455 S C -0.078 174.521 174.600 -0.002 0.000 0.987 455 S CA -0.088 58.144 58.200 0.054 0.000 0.909 455 S CB 0.115 63.415 63.200 0.166 0.000 0.781 455 S HN 0.560 nan 8.310 nan 0.000 0.521 456 F N 0.911 120.593 119.950 -0.446 0.000 2.588 456 F HA 0.552 5.079 4.527 -0.000 0.000 0.314 456 F C -2.232 173.182 175.800 -0.642 0.000 1.134 456 F CA -1.805 55.988 58.000 -0.345 0.000 0.961 456 F CB 0.885 39.912 39.000 0.044 0.000 1.239 456 F HN -0.104 nan 8.300 nan 0.000 0.448 457 F N 5.031 124.321 119.950 -1.100 0.000 2.477 457 F HA 0.770 5.297 4.527 -0.000 0.000 0.335 457 F C 0.569 175.403 175.800 -1.610 0.000 1.130 457 F CA -0.227 56.992 58.000 -1.303 0.000 0.948 457 F CB 1.790 40.175 39.000 -1.024 0.000 1.154 457 F HN 0.890 nan 8.300 nan 0.000 0.439 458 G N 1.792 109.883 108.800 -1.182 0.000 2.293 458 G HA2 0.069 4.029 3.960 -0.000 0.000 0.282 458 G HA3 0.069 4.029 3.960 -0.000 0.000 0.282 458 G C -0.183 174.686 174.900 -0.051 0.000 1.299 458 G CA -0.167 44.680 45.100 -0.422 0.000 1.018 458 G HN 0.455 nan 8.290 nan 0.000 0.478 459 T N -0.248 114.460 114.554 0.256 0.000 3.114 459 T HA 0.375 4.725 4.350 -0.000 0.000 0.240 459 T C 0.968 175.785 174.700 0.194 0.000 0.983 459 T CA 0.550 62.816 62.100 0.278 0.000 1.151 459 T CB -0.001 68.993 68.868 0.211 0.000 0.974 459 T HN 0.386 nan 8.240 nan 0.000 0.442 460 L N 2.504 123.821 121.223 0.156 0.000 2.307 460 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 460 L C 0.243 176.979 176.870 -0.223 0.000 1.023 460 L CA -1.028 53.774 54.840 -0.063 0.000 0.810 460 L CB 1.238 43.355 42.059 0.097 0.000 1.231 460 L HN 0.330 nan 8.230 nan 0.000 0.423 461 H N 1.360 120.308 119.070 -0.203 0.000 2.408 461 H HA 0.437 4.993 4.556 -0.000 0.000 0.345 461 H C 0.035 175.231 175.328 -0.219 0.000 1.547 461 H CA -0.519 55.339 56.048 -0.317 0.000 1.447 461 H CB 0.929 30.431 29.762 -0.433 0.000 1.686 461 H HN 0.669 nan 8.280 nan 0.000 0.625 462 A N 0.042 122.830 122.820 -0.053 0.000 2.286 462 A HA 0.344 4.664 4.320 -0.000 0.000 0.286 462 A C 0.161 177.620 177.584 -0.208 0.000 1.097 462 A CA -0.222 51.729 52.037 -0.144 0.000 0.821 462 A CB -0.245 18.650 19.000 -0.174 0.000 1.076 462 A HN 0.968 nan 8.150 nan 0.000 0.490 463 N N -1.359 117.244 118.700 -0.163 0.000 6.259 463 N HA 0.021 4.760 4.740 -0.000 0.000 0.399 463 N C 0.430 175.938 175.510 -0.002 0.000 1.019 463 N CA 0.931 53.902 53.050 -0.132 0.000 2.057 463 N CB -0.636 37.609 38.487 -0.403 0.000 0.704 463 N HN 2.398 nan 8.380 nan 0.000 0.552 464 G N -0.252 108.529 108.800 -0.031 0.000 2.749 464 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.242 464 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.242 464 G C 0.296 175.390 174.900 0.324 0.000 1.364 464 G CA 0.614 45.724 45.100 0.016 0.000 0.888 464 G HN 0.733 nan 8.290 nan 0.000 0.566 465 K N -0.100 120.453 120.400 0.255 0.000 2.360 465 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 465 K C 1.862 178.554 176.600 0.155 0.000 1.046 465 K CA 1.423 57.840 56.287 0.218 0.000 0.945 465 K CB -0.116 32.474 32.500 0.150 0.000 0.750 465 K HN 0.462 nan 8.250 nan 0.000 0.464 466 D N 0.507 120.981 120.400 0.124 0.000 2.097 466 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 466 D C 2.073 178.430 176.300 0.094 0.000 0.989 466 D CA 1.787 55.842 54.000 0.091 0.000 0.827 466 D CB -0.289 40.541 40.800 0.051 0.000 0.966 466 D HN 0.170 nan 8.370 nan 0.000 0.456 467 S N -0.042 115.707 115.700 0.081 0.000 2.383 467 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 467 S C 2.214 176.880 174.600 0.111 0.000 1.030 467 S CA 1.201 59.416 58.200 0.026 0.000 1.002 467 S CB -0.806 62.462 63.200 0.113 0.000 0.829 467 S HN 0.111 nan 8.310 nan 0.000 0.467 468 V N 2.657 122.675 119.914 0.173 0.000 2.295 468 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 468 V C 2.376 178.574 176.094 0.174 0.000 1.049 468 V CA 2.374 64.780 62.300 0.177 0.000 1.024 468 V CB -1.022 30.867 31.823 0.110 0.000 0.648 468 V HN 0.425 nan 8.190 nan 0.000 0.447 469 D N -0.957 119.532 120.400 0.148 0.000 2.269 469 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 469 D C 1.690 178.083 176.300 0.155 0.000 0.963 469 D CA 0.733 54.816 54.000 0.139 0.000 0.864 469 D CB -0.176 40.698 40.800 0.124 0.000 0.936 469 D HN 0.463 nan 8.370 nan 0.000 0.505 470 F N -0.554 119.392 119.950 -0.005 0.000 2.456 470 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 470 F C 0.980 176.805 175.800 0.040 0.000 1.104 470 F CA 0.900 58.870 58.000 -0.050 0.000 1.435 470 F CB -0.003 38.872 39.000 -0.208 0.000 1.078 470 F HN 0.030 nan 8.300 nan 0.000 0.546 471 Y N 0.109 120.481 120.300 0.120 0.000 2.524 471 Y HA 0.192 4.742 4.550 -0.000 0.000 0.266 471 Y C 0.475 176.414 175.900 0.065 0.000 1.180 471 Y CA -0.195 57.949 58.100 0.073 0.000 1.244 471 Y CB 0.013 38.598 38.460 0.209 0.000 1.125 471 Y HN -0.061 nan 8.280 nan 0.000 0.524 472 T N -1.254 113.410 114.554 0.183 0.000 2.841 472 T HA 0.737 5.087 4.350 -0.000 0.000 0.296 472 T C -0.889 173.883 174.700 0.120 0.000 1.166 472 T CA -1.148 61.050 62.100 0.163 0.000 1.007 472 T CB 2.602 71.565 68.868 0.159 0.000 1.253 472 T HN 0.226 nan 8.240 nan 0.000 0.511 473 R N -0.150 120.442 120.500 0.154 0.000 2.795 473 R HA 0.775 5.115 4.340 -0.000 0.000 0.275 473 R C -1.281 175.137 176.300 0.197 0.000 0.981 473 R CA -1.019 55.162 56.100 0.135 0.000 0.917 473 R CB 1.444 31.807 30.300 0.104 0.000 1.202 473 R HN 0.661 nan 8.270 nan 0.000 0.469 474 K N 1.547 122.045 120.400 0.164 0.000 2.166 474 K HA 0.493 4.813 4.320 -0.000 0.000 0.245 474 K C -0.843 175.879 176.600 0.203 0.000 0.967 474 K CA -1.095 55.312 56.287 0.200 0.000 0.863 474 K CB 1.893 34.471 32.500 0.131 0.000 1.107 474 K HN 0.471 nan 8.250 nan 0.000 0.436 475 K N 1.127 121.693 120.400 0.278 0.000 2.443 475 K HA 0.368 4.688 4.320 -0.000 0.000 0.252 475 K C -1.580 175.169 176.600 0.249 0.000 0.933 475 K CA -0.795 55.630 56.287 0.230 0.000 0.792 475 K CB 2.593 35.236 32.500 0.239 0.000 1.185 475 K HN 0.282 nan 8.250 nan 0.000 0.425 476 V N 3.468 123.479 119.914 0.161 0.000 2.495 476 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 476 V C -1.182 174.994 176.094 0.136 0.000 1.031 476 V CA -0.574 61.807 62.300 0.135 0.000 0.871 476 V CB 1.748 33.612 31.823 0.069 0.000 0.988 476 V HN 0.476 nan 8.190 nan 0.000 0.432 477 V N 5.613 125.628 119.914 0.167 0.000 2.409 477 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 477 V C 0.089 176.228 176.094 0.074 0.000 1.020 477 V CA -0.326 62.056 62.300 0.137 0.000 0.848 477 V CB 1.887 33.838 31.823 0.212 0.000 0.990 477 V HN 0.960 nan 8.190 nan 0.000 0.430 478 T N 4.795 119.362 114.554 0.021 0.000 2.788 478 T HA 0.731 5.081 4.350 -0.000 0.000 0.296 478 T C -0.016 174.633 174.700 -0.085 0.000 1.009 478 T CA -0.227 61.858 62.100 -0.024 0.000 0.949 478 T CB 1.320 70.174 68.868 -0.023 0.000 0.946 478 T HN 0.891 nan 8.240 nan 0.000 0.453 479 A N 3.532 126.250 122.820 -0.170 0.000 2.374 479 A HA 0.837 5.157 4.320 -0.000 0.000 0.317 479 A C -0.294 176.969 177.584 -0.534 0.000 1.094 479 A CA -0.976 50.818 52.037 -0.405 0.000 0.765 479 A CB 1.295 19.930 19.000 -0.609 0.000 1.268 479 A HN 0.757 nan 8.150 nan 0.000 0.438 480 R N 1.510 121.685 120.500 -0.541 0.000 2.343 480 R HA 0.566 4.905 4.340 -0.000 0.000 0.320 480 R C -1.996 174.076 176.300 -0.381 0.000 0.956 480 R CA -0.258 55.632 56.100 -0.351 0.000 0.836 480 R CB 0.637 30.844 30.300 -0.154 0.000 1.151 480 R HN 0.749 nan 8.270 nan 0.000 0.450 481 Y N 5.188 125.496 120.300 0.014 0.000 2.705 481 Y HA 0.303 4.853 4.550 -0.000 0.000 0.355 481 Y C -1.945 173.960 175.900 0.009 0.000 1.039 481 Y CA -2.504 55.603 58.100 0.012 0.000 1.233 481 Y CB 1.533 40.004 38.460 0.018 0.000 1.103 481 Y HN 0.537 nan 8.280 nan 0.000 0.624 482 P HA -0.047 nan 4.420 nan 0.000 0.262 482 P C -0.108 177.228 177.300 0.060 0.000 1.182 482 P CA 0.170 63.311 63.100 0.068 0.000 0.761 482 P CB 0.712 32.434 31.700 0.037 0.000 0.795 483 A N 5.882 128.734 122.820 0.052 0.000 2.520 483 A HA 0.297 4.617 4.320 -0.000 0.000 0.245 483 A C -1.463 176.107 177.584 -0.024 0.000 1.072 483 A CA -0.705 51.363 52.037 0.052 0.000 0.761 483 A CB -1.013 18.032 19.000 0.077 0.000 1.004 483 A HN 0.449 nan 8.150 nan 0.000 0.499 484 P HA 0.270 nan 4.420 nan 0.000 0.274 484 P C -0.930 176.032 177.300 -0.564 0.000 1.246 484 P CA -0.403 62.495 63.100 -0.336 0.000 0.795 484 P CB 0.757 32.199 31.700 -0.431 0.000 1.006 485 D N 0.552 120.625 120.400 -0.545 0.000 2.175 485 D HA 0.423 5.063 4.640 -0.000 0.000 0.248 485 D C -0.166 175.756 176.300 -0.630 0.000 1.047 485 D CA 0.242 53.996 54.000 -0.409 0.000 0.883 485 D CB 0.805 41.499 40.800 -0.177 0.000 1.180 485 D HN 0.211 nan 8.370 nan 0.000 0.438 486 F N 0.000 119.953 119.950 0.005 0.000 2.286 486 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 486 F CA 0.000 58.002 58.000 0.003 0.000 1.383 486 F CB 0.000 39.002 39.000 0.002 0.000 1.145 486 F HN 0.000 nan 8.300 nan 0.000 0.574