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 1tug_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFA DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.567 177.584 -0.028 0.000 1.274 1 A CA 0.000 51.980 52.037 -0.095 0.000 0.836 1 A CB 0.000 18.945 19.000 -0.092 0.000 0.831 2 N N 1.112 119.800 118.700 -0.021 0.000 2.482 2 N HA 0.450 5.190 4.740 -0.000 0.000 0.260 2 N C -1.419 174.137 175.510 0.077 0.000 1.236 2 N CA -0.734 52.335 53.050 0.032 0.000 0.938 2 N CB 0.617 39.126 38.487 0.037 0.000 1.128 2 N HN 0.250 nan 8.380 nan 0.000 0.448 3 P HA -0.112 nan 4.420 nan 0.000 0.225 3 P C 0.749 178.089 177.300 0.067 0.000 1.148 3 P CA 1.088 64.224 63.100 0.060 0.000 0.779 3 P CB 0.250 31.975 31.700 0.042 0.000 0.780 4 L N -2.687 118.585 121.223 0.083 0.000 2.616 4 L HA 0.155 4.495 4.340 -0.000 0.000 0.229 4 L C 1.116 178.030 176.870 0.074 0.000 1.110 4 L CA -0.527 54.351 54.840 0.065 0.000 0.884 4 L CB -0.296 41.801 42.059 0.063 0.000 1.115 4 L HN -0.066 nan 8.230 nan 0.000 0.481 5 Y N 2.196 122.488 120.300 -0.014 0.000 2.810 5 Y HA -0.184 4.366 4.550 -0.000 0.000 0.332 5 Y C 0.860 176.733 175.900 -0.045 0.000 1.243 5 Y CA 0.059 58.147 58.100 -0.021 0.000 1.537 5 Y CB 0.391 38.842 38.460 -0.014 0.000 1.265 5 Y HN 0.199 nan 8.280 nan 0.000 0.572 6 Q N 1.973 121.345 119.800 -0.714 0.000 2.468 6 Q HA -0.258 4.082 4.340 -0.000 0.000 0.256 6 Q C -0.838 174.909 176.000 -0.422 0.000 0.984 6 Q CA 1.207 56.611 55.803 -0.665 0.000 1.110 6 Q CB -1.177 27.073 28.738 -0.813 0.000 1.527 6 Q HN 0.668 nan 8.270 nan 0.000 0.535 7 K N 0.382 120.618 120.400 -0.273 0.000 2.098 7 K HA 0.422 4.742 4.320 -0.000 0.000 0.258 7 K C -0.128 176.331 176.600 -0.235 0.000 0.973 7 K CA -0.663 55.471 56.287 -0.255 0.000 0.898 7 K CB 0.696 33.137 32.500 -0.099 0.000 1.057 7 K HN 0.215 nan 8.250 nan 0.000 0.447 8 H N 1.134 120.186 119.070 -0.030 0.000 2.646 8 H HA 0.185 4.741 4.556 -0.000 0.000 0.325 8 H C -0.109 175.221 175.328 0.003 0.000 1.075 8 H CA -0.459 55.579 56.048 -0.017 0.000 1.421 8 H CB 0.623 30.371 29.762 -0.023 0.000 1.461 8 H HN 0.179 nan 8.280 nan 0.000 0.525 9 I N 5.269 125.919 120.570 0.134 0.000 2.361 9 I HA 0.016 4.186 4.170 -0.000 0.000 0.282 9 I C 0.165 176.340 176.117 0.096 0.000 1.075 9 I CA -0.122 61.239 61.300 0.103 0.000 1.205 9 I CB 0.109 38.170 38.000 0.102 0.000 1.406 9 I HN 0.701 nan 8.210 nan 0.000 0.481 10 I N 1.953 122.572 120.570 0.080 0.000 3.300 10 I HA 0.156 4.325 4.170 -0.000 0.000 0.279 10 I C 1.058 177.211 176.117 0.061 0.000 1.172 10 I CA 0.677 62.011 61.300 0.056 0.000 1.431 10 I CB -0.077 37.940 38.000 0.028 0.000 1.240 10 I HN 0.448 nan 8.210 nan 0.000 0.453 11 S N -0.352 115.385 115.700 0.061 0.000 2.595 11 S HA 0.483 4.953 4.470 -0.000 0.000 0.281 11 S C 0.377 175.018 174.600 0.068 0.000 1.117 11 S CA -0.465 57.773 58.200 0.063 0.000 0.873 11 S CB 1.706 64.933 63.200 0.045 0.000 1.108 11 S HN 0.016 nan 8.310 nan 0.000 0.477 12 I N 3.214 123.829 120.570 0.074 0.000 2.676 12 I HA 0.096 4.265 4.170 -0.000 0.000 0.259 12 I C 1.597 177.751 176.117 0.063 0.000 1.194 12 I CA 1.072 62.417 61.300 0.075 0.000 1.473 12 I CB -0.347 37.703 38.000 0.083 0.000 1.096 12 I HN 0.609 nan 8.210 nan 0.000 0.443 13 N N 0.452 119.183 118.700 0.052 0.000 2.457 13 N HA -0.098 4.642 4.740 -0.000 0.000 0.180 13 N C 1.062 176.590 175.510 0.030 0.000 1.050 13 N CA 0.773 53.846 53.050 0.039 0.000 0.906 13 N CB -0.146 38.359 38.487 0.031 0.000 0.968 13 N HN 0.307 nan 8.380 nan 0.000 0.445 14 D N -0.318 120.102 120.400 0.035 0.000 2.349 14 D HA 0.074 4.713 4.640 -0.000 0.000 0.215 14 D C 0.161 176.481 176.300 0.032 0.000 1.016 14 D CA 0.223 54.241 54.000 0.030 0.000 0.870 14 D CB 0.538 41.358 40.800 0.034 0.000 0.917 14 D HN 0.240 nan 8.370 nan 0.000 0.524 15 L N 0.981 122.228 121.223 0.041 0.000 2.307 15 L HA 0.256 4.596 4.340 -0.000 0.000 0.282 15 L C 0.854 177.743 176.870 0.030 0.000 1.051 15 L CA -0.633 54.233 54.840 0.043 0.000 0.804 15 L CB 1.633 43.730 42.059 0.063 0.000 1.197 15 L HN -0.155 nan 8.230 nan 0.000 0.431 16 S N 2.069 117.780 115.700 0.019 0.000 2.693 16 S HA 0.358 4.828 4.470 -0.000 0.000 0.276 16 S C 1.012 175.600 174.600 -0.020 0.000 1.192 16 S CA -0.761 57.433 58.200 -0.009 0.000 0.994 16 S CB 1.757 64.949 63.200 -0.012 0.000 1.012 16 S HN 0.676 nan 8.310 nan 0.000 0.550 17 R N 0.724 121.164 120.500 -0.099 0.000 2.113 17 R HA -0.208 4.132 4.340 -0.000 0.000 0.244 17 R C 1.268 177.546 176.300 -0.037 0.000 1.142 17 R CA 2.681 58.664 56.100 -0.196 0.000 0.953 17 R CB -1.041 29.052 30.300 -0.346 0.000 0.860 17 R HN 0.850 nan 8.270 nan 0.000 0.438 18 D N 0.155 120.540 120.400 -0.024 0.000 2.078 18 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 18 D C 1.619 177.948 176.300 0.049 0.000 0.990 18 D CA 1.507 55.519 54.000 0.019 0.000 0.827 18 D CB -0.442 40.363 40.800 0.008 0.000 0.975 18 D HN 0.203 nan 8.370 nan 0.000 0.451 19 D N 0.367 120.793 120.400 0.042 0.000 2.154 19 D HA -0.177 4.463 4.640 -0.000 0.000 0.190 19 D C 2.276 178.626 176.300 0.083 0.000 1.003 19 D CA 0.756 54.790 54.000 0.056 0.000 0.849 19 D CB -0.492 40.337 40.800 0.048 0.000 0.942 19 D HN 0.210 nan 8.370 nan 0.000 0.446 20 L N 0.362 121.650 121.223 0.108 0.000 2.013 20 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 20 L C 2.091 179.071 176.870 0.183 0.000 1.073 20 L CA 1.496 56.437 54.840 0.169 0.000 0.753 20 L CB -0.592 41.629 42.059 0.269 0.000 0.890 20 L HN 0.074 nan 8.230 nan 0.000 0.432 21 N N -0.264 118.547 118.700 0.186 0.000 2.120 21 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 21 N C 1.707 177.290 175.510 0.121 0.000 1.024 21 N CA 0.860 54.016 53.050 0.176 0.000 0.852 21 N CB -0.153 38.432 38.487 0.163 0.000 1.003 21 N HN 0.137 nan 8.380 nan 0.000 0.424 22 L N 0.849 122.128 121.223 0.094 0.000 2.012 22 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 22 L C 1.829 178.738 176.870 0.065 0.000 1.073 22 L CA 1.478 56.361 54.840 0.071 0.000 0.748 22 L CB -0.599 41.495 42.059 0.058 0.000 0.891 22 L HN -0.011 nan 8.230 nan 0.000 0.431 23 V N -0.215 119.740 119.914 0.069 0.000 2.392 23 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 23 V C 2.570 178.681 176.094 0.029 0.000 1.059 23 V CA 2.008 64.336 62.300 0.047 0.000 1.051 23 V CB -0.538 31.318 31.823 0.055 0.000 0.658 23 V HN 0.468 nan 8.190 nan 0.000 0.455 24 L N -0.431 120.842 121.223 0.083 0.000 2.179 24 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 24 L C 2.687 179.640 176.870 0.139 0.000 1.096 24 L CA 1.261 56.179 54.840 0.131 0.000 0.779 24 L CB -0.783 41.409 42.059 0.222 0.000 0.922 24 L HN 0.368 nan 8.230 nan 0.000 0.443 25 A N -0.059 122.826 122.820 0.108 0.000 1.898 25 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 25 A C 2.349 179.969 177.584 0.060 0.000 1.181 25 A CA 2.157 54.251 52.037 0.095 0.000 0.620 25 A CB -0.756 18.289 19.000 0.075 0.000 0.819 25 A HN 0.337 nan 8.150 nan 0.000 0.442 26 T N 0.446 115.019 114.554 0.031 0.000 2.674 26 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 26 T C 2.258 176.939 174.700 -0.031 0.000 1.039 26 T CA 1.722 63.826 62.100 0.007 0.000 1.150 26 T CB -0.537 68.336 68.868 0.008 0.000 0.864 26 T HN 0.601 nan 8.240 nan 0.000 0.427 27 A N 1.494 124.245 122.820 -0.116 0.000 1.940 27 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 27 A C 2.629 180.081 177.584 -0.220 0.000 1.176 27 A CA 2.025 53.889 52.037 -0.288 0.000 0.631 27 A CB -1.137 17.406 19.000 -0.762 0.000 0.814 27 A HN 0.526 nan 8.150 nan 0.000 0.446 28 A N -0.448 122.360 122.820 -0.020 0.000 1.858 28 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 28 A C 2.131 179.736 177.584 0.035 0.000 1.190 28 A CA 2.048 54.187 52.037 0.170 0.000 0.617 28 A CB -0.481 18.664 19.000 0.241 0.000 0.827 28 A HN 0.507 nan 8.150 nan 0.000 0.443 29 K N -0.558 119.856 120.400 0.023 0.000 2.032 29 K HA -0.024 4.296 4.320 -0.000 0.000 0.209 29 K C 1.837 178.437 176.600 -0.001 0.000 1.048 29 K CA 1.453 57.746 56.287 0.010 0.000 0.927 29 K CB -0.334 32.176 32.500 0.016 0.000 0.712 29 K HN 0.475 nan 8.250 nan 0.000 0.441 30 L N 0.658 121.884 121.223 0.004 0.000 2.201 30 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 30 L C 2.411 179.298 176.870 0.028 0.000 1.105 30 L CA 1.027 55.890 54.840 0.038 0.000 0.775 30 L CB -0.258 41.847 42.059 0.076 0.000 0.913 30 L HN 0.178 nan 8.230 nan 0.000 0.440 31 K N 0.443 120.774 120.400 -0.116 0.000 2.211 31 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 31 K C 1.932 178.400 176.600 -0.221 0.000 1.050 31 K CA 1.226 57.239 56.287 -0.456 0.000 0.945 31 K CB 0.080 32.065 32.500 -0.859 0.000 0.732 31 K HN 0.271 nan 8.250 nan 0.000 0.451 32 A N 0.430 123.188 122.820 -0.104 0.000 1.973 32 A HA 0.042 4.362 4.320 -0.000 0.000 0.210 32 A C 0.747 178.321 177.584 -0.017 0.000 1.200 32 A CA 0.456 52.460 52.037 -0.054 0.000 0.707 32 A CB 0.032 19.011 19.000 -0.034 0.000 0.862 32 A HN 0.405 nan 8.150 nan 0.000 0.461 33 N N 0.613 119.311 118.700 -0.003 0.000 2.690 33 N HA 0.301 5.041 4.740 -0.000 0.000 0.255 33 N C -3.262 172.264 175.510 0.026 0.000 1.195 33 N CA -1.346 51.711 53.050 0.012 0.000 0.790 33 N CB 1.366 39.859 38.487 0.009 0.000 1.216 33 N HN -0.016 nan 8.380 nan 0.000 0.528 34 P HA 0.062 nan 4.420 nan 0.000 0.269 34 P C -0.892 176.432 177.300 0.040 0.000 1.215 34 P CA 0.037 63.171 63.100 0.057 0.000 0.780 34 P CB 0.613 32.355 31.700 0.070 0.000 0.898 35 Q N 2.378 122.202 119.800 0.041 0.000 3.122 35 Q HA 0.185 4.525 4.340 -0.000 0.000 0.282 35 Q C -2.028 173.987 176.000 0.025 0.000 0.947 35 Q CA -1.333 54.487 55.803 0.028 0.000 0.812 35 Q CB 1.393 30.146 28.738 0.025 0.000 1.333 35 Q HN 0.400 nan 8.270 nan 0.000 0.430 36 P HA 0.023 nan 4.420 nan 0.000 0.245 36 P C 0.210 177.516 177.300 0.011 0.000 1.212 36 P CA 0.624 63.739 63.100 0.025 0.000 0.774 36 P CB 0.673 32.389 31.700 0.028 0.000 0.999 37 E N -0.954 119.244 120.200 -0.003 0.000 2.876 37 E HA 0.104 4.454 4.350 -0.000 0.000 0.208 37 E C 1.155 177.732 176.600 -0.038 0.000 0.981 37 E CA -0.298 56.085 56.400 -0.029 0.000 1.174 37 E CB -0.008 29.670 29.700 -0.036 0.000 1.047 37 E HN 0.109 nan 8.360 nan 0.000 0.477 38 L N 0.137 121.352 121.223 -0.014 0.000 2.093 38 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 38 L C 1.389 178.252 176.870 -0.012 0.000 1.085 38 L CA 1.808 56.643 54.840 -0.008 0.000 0.755 38 L CB 0.005 42.069 42.059 0.009 0.000 0.904 38 L HN 0.112 nan 8.230 nan 0.000 0.435 39 L N -0.241 120.975 121.223 -0.012 0.000 2.965 39 L HA 0.179 4.519 4.340 -0.000 0.000 0.254 39 L C 0.634 177.486 176.870 -0.029 0.000 1.220 39 L CA -0.376 54.461 54.840 -0.005 0.000 1.023 39 L CB -0.214 41.852 42.059 0.012 0.000 1.355 39 L HN 0.158 nan 8.230 nan 0.000 0.545 40 K N 0.295 120.643 120.400 -0.086 0.000 2.552 40 K HA -0.163 4.157 4.320 -0.000 0.000 0.276 40 K C 0.664 177.155 176.600 -0.181 0.000 0.960 40 K CA 0.796 56.965 56.287 -0.198 0.000 0.961 40 K CB 0.111 32.393 32.500 -0.362 0.000 0.902 40 K HN 0.293 nan 8.250 nan 0.000 0.515 41 H N -0.967 118.121 119.070 0.030 0.000 3.486 41 H HA -0.221 4.335 4.556 -0.000 0.000 0.251 41 H C -0.456 174.890 175.328 0.031 0.000 1.043 41 H CA 1.130 57.196 56.048 0.029 0.000 1.205 41 H CB -0.628 29.151 29.762 0.028 0.000 1.257 41 H HN 0.379 nan 8.280 nan 0.000 0.318 42 K N 1.390 121.845 120.400 0.092 0.000 2.118 42 K HA 0.510 4.830 4.320 -0.000 0.000 0.267 42 K C 0.019 176.652 176.600 0.055 0.000 0.991 42 K CA -0.535 55.795 56.287 0.073 0.000 0.916 42 K CB 2.478 35.010 32.500 0.052 0.000 1.041 42 K HN -0.076 nan 8.250 nan 0.000 0.455 43 V N 4.166 124.113 119.914 0.056 0.000 2.448 43 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 43 V C -0.078 176.037 176.094 0.036 0.000 1.025 43 V CA -0.858 61.469 62.300 0.046 0.000 0.859 43 V CB 1.359 33.219 31.823 0.063 0.000 0.988 43 V HN 0.585 nan 8.190 nan 0.000 0.431 44 I N 3.282 123.859 120.570 0.012 0.000 2.509 44 I HA 0.721 4.890 4.170 -0.000 0.000 0.293 44 I C 0.391 176.506 176.117 -0.003 0.000 1.020 44 I CA -0.530 60.771 61.300 0.002 0.000 1.088 44 I CB 2.044 40.035 38.000 -0.014 0.000 1.267 44 I HN 0.691 nan 8.210 nan 0.000 0.430 45 A N 3.666 126.482 122.820 -0.007 0.000 2.328 45 A HA 0.522 4.842 4.320 -0.000 0.000 0.284 45 A C 0.080 177.603 177.584 -0.101 0.000 1.160 45 A CA -0.214 51.806 52.037 -0.028 0.000 0.818 45 A CB 0.674 19.671 19.000 -0.006 0.000 1.087 45 A HN 0.602 nan 8.150 nan 0.000 0.504 46 S N 2.000 117.630 115.700 -0.116 0.000 2.475 46 S HA 0.319 4.789 4.470 -0.000 0.000 0.249 46 S C -0.588 173.817 174.600 -0.326 0.000 1.298 46 S CA -0.556 57.578 58.200 -0.110 0.000 1.125 46 S CB -0.790 62.433 63.200 0.038 0.000 1.054 46 S HN 0.702 nan 8.310 nan 0.000 0.484 47 C N 5.635 124.591 119.300 -0.573 0.000 2.145 47 C HA 0.405 4.865 4.460 -0.000 0.000 0.374 47 C C 0.067 174.451 174.990 -1.011 0.000 1.035 47 C CA -0.803 57.503 59.018 -1.186 0.000 1.431 47 C CB -2.274 24.955 27.740 -0.851 0.000 1.789 47 C HN 0.789 nan 8.230 nan 0.000 0.483 48 F N 2.783 122.253 119.950 -0.800 0.000 2.541 48 F HA 0.278 4.804 4.527 -0.000 0.000 0.351 48 F C 1.112 176.808 175.800 -0.174 0.000 1.209 48 F CA -0.756 57.054 58.000 -0.317 0.000 1.277 48 F CB -0.314 38.580 39.000 -0.176 0.000 1.632 48 F HN 0.539 nan 8.300 nan 0.000 0.619 49 F N 1.233 121.185 119.950 0.003 0.000 2.236 49 F HA -0.109 4.417 4.527 -0.000 0.000 0.302 49 F C 1.563 177.370 175.800 0.011 0.000 1.073 49 F CA 0.545 58.601 58.000 0.094 0.000 1.336 49 F CB -0.397 38.534 39.000 -0.115 0.000 1.040 49 F HN 0.262 nan 8.300 nan 0.000 0.507 50 A N -0.025 122.915 122.820 0.200 0.000 2.319 50 A HA 0.773 5.093 4.320 -0.000 0.000 0.310 50 A C -0.136 177.586 177.584 0.229 0.000 1.152 50 A CA -0.593 51.535 52.037 0.152 0.000 0.783 50 A CB 0.295 19.354 19.000 0.098 0.000 1.184 50 A HN 0.143 nan 8.150 nan 0.000 0.474 51 A N 1.758 124.675 122.820 0.162 0.000 2.498 51 A HA 0.562 4.882 4.320 -0.000 0.000 0.239 51 A C 0.628 178.286 177.584 0.123 0.000 1.068 51 A CA 0.740 52.855 52.037 0.131 0.000 0.766 51 A CB 0.083 19.121 19.000 0.063 0.000 1.003 51 A HN 2.102 nan 8.150 nan 0.000 0.497 52 S N 1.413 117.146 115.700 0.055 0.000 2.317 52 S HA 0.242 4.712 4.470 -0.000 0.000 0.208 52 S C 0.531 175.044 174.600 -0.146 0.000 0.849 52 S CA 0.099 58.316 58.200 0.027 0.000 1.042 52 S CB -0.194 63.102 63.200 0.161 0.000 1.316 52 S HN 0.756 nan 8.310 nan 0.000 0.386 53 T N 3.575 118.062 114.554 -0.112 0.000 2.812 53 T HA -0.020 4.330 4.350 -0.000 0.000 0.264 53 T C 1.848 176.489 174.700 -0.097 0.000 1.042 53 T CA 1.128 63.142 62.100 -0.142 0.000 1.140 53 T CB -0.189 68.633 68.868 -0.078 0.000 0.870 53 T HN 0.601 nan 8.240 nan 0.000 0.445 54 R N 0.547 121.031 120.500 -0.027 0.000 2.073 54 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 54 R C 2.531 178.849 176.300 0.030 0.000 1.134 54 R CA 1.736 57.842 56.100 0.010 0.000 0.952 54 R CB -0.509 29.821 30.300 0.049 0.000 0.850 54 R HN 0.295 nan 8.270 nan 0.000 0.433 55 T N 0.268 114.868 114.554 0.076 0.000 2.708 55 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 55 T C 1.721 176.521 174.700 0.167 0.000 1.037 55 T CA 1.623 63.847 62.100 0.208 0.000 1.146 55 T CB -0.236 68.880 68.868 0.412 0.000 0.865 55 T HN 0.328 nan 8.240 nan 0.000 0.435 56 R N 0.649 121.034 120.500 -0.191 0.000 2.088 56 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 56 R C 2.472 178.718 176.300 -0.090 0.000 1.136 56 R CA 1.310 57.155 56.100 -0.425 0.000 0.926 56 R CB -0.603 29.120 30.300 -0.963 0.000 0.837 56 R HN 0.302 nan 8.270 nan 0.000 0.429 57 L N 0.374 121.537 121.223 -0.100 0.000 2.051 57 L HA -0.270 4.070 4.340 -0.000 0.000 0.214 57 L C 2.661 179.534 176.870 0.005 0.000 1.076 57 L CA 1.826 56.646 54.840 -0.034 0.000 0.758 57 L CB -0.628 41.407 42.059 -0.041 0.000 0.890 57 L HN 0.403 nan 8.230 nan 0.000 0.433 58 S N -0.676 115.026 115.700 0.004 0.000 2.345 58 S HA -0.159 4.310 4.470 -0.000 0.000 0.220 58 S C 1.887 176.467 174.600 -0.034 0.000 1.031 58 S CA 1.115 59.290 58.200 -0.042 0.000 0.996 58 S CB -0.273 62.879 63.200 -0.080 0.000 0.882 58 S HN 0.290 nan 8.310 nan 0.000 0.445 59 F N 1.823 121.788 119.950 0.026 0.000 2.095 59 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 59 F C 2.608 178.420 175.800 0.020 0.000 1.104 59 F CA 1.824 59.853 58.000 0.049 0.000 1.232 59 F CB -0.175 38.907 39.000 0.138 0.000 0.987 59 F HN 0.320 nan 8.300 nan 0.000 0.475 60 E N -0.935 119.402 120.200 0.229 0.000 2.072 60 E HA -0.168 4.181 4.350 -0.000 0.000 0.191 60 E C 2.114 178.814 176.600 0.167 0.000 0.985 60 E CA 1.641 58.130 56.400 0.149 0.000 0.801 60 E CB -0.362 29.419 29.700 0.136 0.000 0.750 60 E HN 0.326 nan 8.360 nan 0.000 0.452 61 T N 0.864 115.496 114.554 0.130 0.000 2.684 61 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 61 T C 2.144 176.879 174.700 0.059 0.000 1.036 61 T CA 1.477 63.637 62.100 0.100 0.000 1.148 61 T CB -0.186 68.689 68.868 0.011 0.000 0.863 61 T HN 0.070 nan 8.240 nan 0.000 0.436 62 S N 1.200 116.903 115.700 0.004 0.000 2.383 62 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 62 S C 2.078 176.689 174.600 0.019 0.000 1.030 62 S CA 1.268 59.454 58.200 -0.023 0.000 1.002 62 S CB -0.392 62.772 63.200 -0.061 0.000 0.829 62 S HN 0.420 nan 8.310 nan 0.000 0.467 63 M N 0.566 120.179 119.600 0.021 0.000 2.086 63 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 63 M C 2.116 178.358 176.300 -0.096 0.000 1.067 63 M CA 1.404 56.669 55.300 -0.057 0.000 1.116 63 M CB -0.515 31.995 32.600 -0.150 0.000 1.348 63 M HN 0.330 nan 8.290 nan 0.000 0.407 64 H N -0.421 118.668 119.070 0.032 0.000 2.462 64 H HA 0.043 4.598 4.556 -0.000 0.000 0.292 64 H C 2.010 177.345 175.328 0.012 0.000 1.049 64 H CA 0.966 57.025 56.048 0.020 0.000 1.334 64 H CB -0.119 29.651 29.762 0.013 0.000 1.404 64 H HN 0.249 nan 8.280 nan 0.000 0.544 65 R N 0.376 120.942 120.500 0.111 0.000 2.280 65 R HA -0.035 4.305 4.340 -0.000 0.000 0.207 65 R C 1.218 177.549 176.300 0.052 0.000 1.043 65 R CA 0.238 56.378 56.100 0.067 0.000 1.006 65 R CB -0.012 30.308 30.300 0.035 0.000 0.885 65 R HN 0.169 nan 8.270 nan 0.000 0.467 66 L N -0.963 120.284 121.223 0.041 0.000 2.693 66 L HA 0.280 4.620 4.340 -0.000 0.000 0.235 66 L C 0.980 177.861 176.870 0.019 0.000 1.127 66 L CA 0.747 55.604 54.840 0.029 0.000 0.914 66 L CB 0.279 42.352 42.059 0.025 0.000 1.193 66 L HN 0.399 nan 8.230 nan 0.000 0.502 67 G N -0.838 107.980 108.800 0.029 0.000 2.159 67 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.227 67 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.227 67 G C 0.503 175.410 174.900 0.011 0.000 0.986 67 G CA 0.124 45.237 45.100 0.022 0.000 0.651 67 G HN 0.669 nan 8.290 nan 0.000 0.523 68 A N 0.242 123.054 122.820 -0.012 0.000 2.316 68 A HA 0.815 5.135 4.320 -0.000 0.000 0.284 68 A C 0.775 178.319 177.584 -0.065 0.000 1.115 68 A CA 0.648 52.666 52.037 -0.033 0.000 0.812 68 A CB 0.733 19.704 19.000 -0.048 0.000 1.064 68 A HN 1.026 nan 8.150 nan 0.000 0.489 69 S N -0.092 115.601 115.700 -0.011 0.000 2.592 69 S HA 0.479 4.949 4.470 -0.000 0.000 0.271 69 S C -0.112 174.451 174.600 -0.061 0.000 1.326 69 S CA -0.469 57.736 58.200 0.007 0.000 1.024 69 S CB 1.072 64.306 63.200 0.057 0.000 0.921 69 S HN 0.593 nan 8.310 nan 0.000 0.527 70 V N 2.579 122.470 119.914 -0.039 0.000 2.604 70 V HA 0.668 4.788 4.120 -0.000 0.000 0.305 70 V C -0.221 175.898 176.094 0.041 0.000 1.043 70 V CA -0.768 61.509 62.300 -0.038 0.000 0.888 70 V CB 1.508 33.278 31.823 -0.089 0.000 0.995 70 V HN 0.774 nan 8.190 nan 0.000 0.429 71 V N 1.189 121.126 119.914 0.038 0.000 2.914 71 V HA 1.156 5.276 4.120 -0.000 0.000 0.314 71 V C 0.075 176.198 176.094 0.048 0.000 1.084 71 V CA 0.171 62.507 62.300 0.060 0.000 0.963 71 V CB 1.423 33.293 31.823 0.078 0.000 1.025 71 V HN 1.348 nan 8.190 nan 0.000 0.432 72 G N 1.911 110.754 108.800 0.072 0.000 2.356 72 G HA2 0.654 4.614 3.960 -0.000 0.000 0.281 72 G HA3 0.654 4.614 3.960 -0.000 0.000 0.281 72 G C -1.620 173.354 174.900 0.123 0.000 1.246 72 G CA -0.039 45.067 45.100 0.010 0.000 0.889 72 G HN 2.073 nan 8.290 nan 0.000 0.486 73 F N -1.286 118.653 119.950 -0.018 0.000 2.622 73 F HA 0.817 5.344 4.527 -0.000 0.000 0.318 73 F C -0.488 175.316 175.800 0.007 0.000 1.135 73 F CA -1.150 56.832 58.000 -0.030 0.000 1.015 73 F CB 1.654 40.606 39.000 -0.080 0.000 1.275 73 F HN 0.488 nan 8.300 nan 0.000 0.457 74 S N 1.843 117.615 115.700 0.119 0.000 2.489 74 S HA 0.371 4.841 4.470 -0.000 0.000 0.277 74 S C -1.027 173.694 174.600 0.203 0.000 1.230 74 S CA -0.145 58.125 58.200 0.118 0.000 1.053 74 S CB 0.553 63.764 63.200 0.018 0.000 0.955 74 S HN 0.757 nan 8.310 nan 0.000 0.488 75 D N 1.346 121.887 120.400 0.236 0.000 2.350 75 D HA 0.614 5.253 4.640 -0.000 0.000 0.245 75 D C 0.006 176.378 176.300 0.119 0.000 1.036 75 D CA -0.142 53.976 54.000 0.196 0.000 0.848 75 D CB 1.577 42.531 40.800 0.258 0.000 1.307 75 D HN 0.397 nan 8.370 nan 0.000 0.469 76 S N 0.886 116.630 115.700 0.073 0.000 2.551 76 S HA 0.334 4.804 4.470 -0.000 0.000 0.236 76 S C -1.086 173.531 174.600 0.029 0.000 0.915 76 S CA -0.038 58.193 58.200 0.051 0.000 1.525 76 S CB 0.226 63.454 63.200 0.046 0.000 1.256 76 S HN 0.527 nan 8.310 nan 0.000 0.641 77 A N 1.968 124.804 122.820 0.026 0.000 2.291 77 A HA 0.701 5.021 4.320 -0.000 0.000 0.311 77 A C 0.396 177.979 177.584 -0.002 0.000 1.224 77 A CA -0.283 51.761 52.037 0.012 0.000 0.821 77 A CB 0.289 19.297 19.000 0.013 0.000 1.172 77 A HN 0.428 nan 8.150 nan 0.000 0.494 78 N N 0.563 119.261 118.700 -0.005 0.000 2.800 78 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 78 N C 0.129 175.632 175.510 -0.011 0.000 1.078 78 N CA 1.750 54.794 53.050 -0.010 0.000 0.804 78 N CB -1.730 36.747 38.487 -0.016 0.000 1.135 78 N HN 1.129 nan 8.380 nan 0.000 0.565 79 T N -3.814 110.737 114.554 -0.004 0.000 2.912 79 T HA 0.700 5.050 4.350 -0.000 0.000 0.326 79 T C 0.444 175.143 174.700 -0.001 0.000 1.080 79 T CA -0.097 62.001 62.100 -0.003 0.000 1.000 79 T CB 1.973 70.843 68.868 0.004 0.000 1.008 79 T HN 0.022 nan 8.240 nan 0.000 0.473 80 S N 2.505 118.202 115.700 -0.005 0.000 2.099 80 S HA 0.240 4.710 4.470 -0.000 0.000 0.253 80 S C -0.108 174.487 174.600 -0.007 0.000 0.937 80 S CA -0.262 57.935 58.200 -0.005 0.000 1.507 80 S CB 0.092 63.289 63.200 -0.005 0.000 1.110 80 S HN 0.638 nan 8.310 nan 0.000 0.532 81 L N 1.215 122.433 121.223 -0.008 0.000 3.088 81 L HA 0.410 4.750 4.340 -0.000 0.000 0.337 81 L C 0.899 177.762 176.870 -0.012 0.000 1.293 81 L CA 0.120 54.954 54.840 -0.010 0.000 0.784 81 L CB 0.866 42.919 42.059 -0.010 0.000 1.215 81 L HN 0.263 nan 8.230 nan 0.000 0.581 82 G N -0.768 108.026 108.800 -0.011 0.000 3.189 82 G HA2 0.009 3.968 3.960 -0.000 0.000 0.225 82 G HA3 0.009 3.968 3.960 -0.000 0.000 0.225 82 G C 1.241 176.135 174.900 -0.011 0.000 1.159 82 G CA -0.119 44.974 45.100 -0.012 0.000 0.763 82 G HN 0.225 nan 8.290 nan 0.000 0.549 83 K N 1.353 121.746 120.400 -0.012 0.000 2.243 83 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 83 K C 1.710 178.301 176.600 -0.016 0.000 1.051 83 K CA 0.702 56.981 56.287 -0.014 0.000 0.970 83 K CB -0.102 32.391 32.500 -0.012 0.000 0.755 83 K HN 0.488 nan 8.250 nan 0.000 0.465 84 K N 1.210 121.601 120.400 -0.015 0.000 2.551 84 K HA 0.150 4.470 4.320 -0.000 0.000 0.204 84 K C 0.510 177.099 176.600 -0.017 0.000 1.033 84 K CA -0.177 56.101 56.287 -0.015 0.000 1.187 84 K CB 0.378 32.870 32.500 -0.013 0.000 0.900 84 K HN 0.053 nan 8.250 nan 0.000 0.499 85 G N 0.707 109.496 108.800 -0.019 0.000 2.938 85 G HA2 0.172 4.132 3.960 -0.000 0.000 0.258 85 G HA3 0.172 4.132 3.960 -0.000 0.000 0.258 85 G C -1.116 173.768 174.900 -0.026 0.000 1.356 85 G CA -0.782 44.305 45.100 -0.021 0.000 1.052 85 G HN 0.369 nan 8.290 nan 0.000 0.550 86 E N -0.703 119.480 120.200 -0.028 0.000 2.342 86 E HA 0.303 4.653 4.350 -0.000 0.000 0.257 86 E C 0.354 176.924 176.600 -0.050 0.000 1.150 86 E CA -0.115 56.261 56.400 -0.039 0.000 0.926 86 E CB 0.464 30.140 29.700 -0.040 0.000 1.074 86 E HN 0.494 nan 8.360 nan 0.000 0.449 87 T N -0.472 114.035 114.554 -0.078 0.000 2.795 87 T HA -0.016 4.334 4.350 -0.000 0.000 0.314 87 T C 1.182 175.805 174.700 -0.129 0.000 1.069 87 T CA -0.343 61.690 62.100 -0.113 0.000 1.071 87 T CB 0.584 69.351 68.868 -0.168 0.000 0.988 87 T HN 0.533 nan 8.240 nan 0.000 0.543 88 L N 1.484 122.609 121.223 -0.163 0.000 2.109 88 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 88 L C 2.712 179.405 176.870 -0.295 0.000 1.086 88 L CA 2.081 56.805 54.840 -0.194 0.000 0.760 88 L CB -1.518 40.391 42.059 -0.250 0.000 0.910 88 L HN 0.931 nan 8.230 nan 0.000 0.437 89 A N -0.309 122.216 122.820 -0.491 0.000 1.859 89 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 89 A C 2.017 179.236 177.584 -0.608 0.000 1.198 89 A CA 2.179 53.613 52.037 -1.005 0.000 0.629 89 A CB -1.108 16.973 19.000 -1.532 0.000 0.830 89 A HN 0.511 nan 8.150 nan 0.000 0.446 90 D N -0.741 119.438 120.400 -0.367 0.000 2.149 90 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 90 D C 2.053 178.280 176.300 -0.122 0.000 0.990 90 D CA 1.789 55.675 54.000 -0.190 0.000 0.839 90 D CB -0.666 40.059 40.800 -0.124 0.000 0.948 90 D HN 0.452 nan 8.370 nan 0.000 0.460 91 T N 0.843 115.341 114.554 -0.094 0.000 2.788 91 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 91 T C 1.836 176.529 174.700 -0.011 0.000 1.044 91 T CA 0.503 62.598 62.100 -0.009 0.000 1.139 91 T CB 0.014 68.941 68.868 0.099 0.000 0.867 91 T HN 0.086 nan 8.240 nan 0.000 0.454 92 I N 1.676 122.221 120.570 -0.042 0.000 2.252 92 I HA -0.054 4.115 4.170 -0.000 0.000 0.245 92 I C 2.561 178.659 176.117 -0.032 0.000 1.102 92 I CA 1.067 62.359 61.300 -0.013 0.000 1.385 92 I CB -1.498 36.500 38.000 -0.003 0.000 1.064 92 I HN 0.168 nan 8.210 nan 0.000 0.414 93 S N 0.599 116.277 115.700 -0.038 0.000 2.399 93 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 93 S C 2.250 176.799 174.600 -0.084 0.000 1.022 93 S CA 0.887 59.081 58.200 -0.010 0.000 0.983 93 S CB -0.320 62.896 63.200 0.028 0.000 0.803 93 S HN 0.254 nan 8.310 nan 0.000 0.480 94 V N 1.784 121.621 119.914 -0.130 0.000 2.323 94 V HA -0.082 4.038 4.120 -0.000 0.000 0.244 94 V C 2.072 177.840 176.094 -0.544 0.000 1.041 94 V CA 1.402 63.562 62.300 -0.234 0.000 1.025 94 V CB -0.532 31.195 31.823 -0.159 0.000 0.656 94 V HN 0.410 nan 8.190 nan 0.000 0.451 95 I N 1.051 121.356 120.570 -0.442 0.000 2.361 95 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 95 I C 2.511 178.413 176.117 -0.357 0.000 1.133 95 I CA 1.641 62.609 61.300 -0.553 0.000 1.413 95 I CB -0.306 37.597 38.000 -0.162 0.000 1.073 95 I HN 0.409 nan 8.210 nan 0.000 0.424 96 S N -0.513 115.079 115.700 -0.180 0.000 2.469 96 S HA -0.185 4.284 4.470 -0.000 0.000 0.238 96 S C 1.993 176.559 174.600 -0.057 0.000 0.998 96 S CA 1.419 59.577 58.200 -0.070 0.000 0.957 96 S CB -1.136 62.056 63.200 -0.014 0.000 0.764 96 S HN 0.631 nan 8.310 nan 0.000 0.514 97 T N -1.284 113.199 114.554 -0.118 0.000 3.055 97 T HA 0.068 4.418 4.350 -0.000 0.000 0.265 97 T C 1.376 176.161 174.700 0.142 0.000 1.111 97 T CA 0.324 62.421 62.100 -0.004 0.000 1.118 97 T CB -0.628 68.247 68.868 0.011 0.000 0.909 97 T HN 0.683 nan 8.240 nan 0.000 0.501 98 Y N 1.244 121.566 120.300 0.036 0.000 2.464 98 Y HA 0.390 4.940 4.550 -0.000 0.000 0.288 98 Y C 1.462 177.382 175.900 0.032 0.000 1.133 98 Y CA -0.553 57.566 58.100 0.033 0.000 1.223 98 Y CB 0.425 38.906 38.460 0.035 0.000 1.187 98 Y HN 0.177 nan 8.280 nan 0.000 0.539 99 V N -2.039 117.986 119.914 0.185 0.000 3.093 99 V HA 0.342 4.462 4.120 -0.000 0.000 0.320 99 V C -0.120 176.019 176.094 0.074 0.000 1.093 99 V CA -0.779 61.593 62.300 0.119 0.000 1.016 99 V CB 1.836 33.719 31.823 0.100 0.000 1.096 99 V HN 0.071 nan 8.190 nan 0.000 0.452 100 D N 1.041 121.477 120.400 0.060 0.000 2.346 100 D HA 0.480 5.120 4.640 -0.000 0.000 0.206 100 D C 0.588 176.906 176.300 0.031 0.000 1.001 100 D CA 1.469 55.497 54.000 0.047 0.000 0.871 100 D CB 1.194 42.025 40.800 0.051 0.000 0.943 100 D HN 0.984 nan 8.370 nan 0.000 0.518 101 A N 0.082 122.918 122.820 0.026 0.000 2.601 101 A HA 0.638 4.957 4.320 -0.000 0.000 0.291 101 A C -1.697 175.887 177.584 0.001 0.000 1.075 101 A CA -0.626 51.421 52.037 0.016 0.000 0.671 101 A CB 1.086 20.094 19.000 0.014 0.000 1.277 101 A HN -0.001 nan 8.150 nan 0.000 0.417 102 I N 1.438 122.003 120.570 -0.008 0.000 2.439 102 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 102 I C -0.882 175.173 176.117 -0.103 0.000 1.021 102 I CA -0.849 60.426 61.300 -0.042 0.000 1.091 102 I CB 1.834 39.826 38.000 -0.012 0.000 1.242 102 I HN 0.342 nan 8.210 nan 0.000 0.439 103 V N 7.740 127.538 119.914 -0.194 0.000 2.407 103 V HA 0.515 4.635 4.120 -0.000 0.000 0.278 103 V C 0.097 175.944 176.094 -0.411 0.000 1.037 103 V CA -0.354 61.728 62.300 -0.364 0.000 0.900 103 V CB 1.370 32.849 31.823 -0.574 0.000 0.983 103 V HN 0.763 nan 8.190 nan 0.000 0.459 104 M N 4.326 123.687 119.600 -0.398 0.000 2.371 104 M HA 0.682 5.161 4.480 -0.000 0.000 0.287 104 M C -1.118 174.941 176.300 -0.400 0.000 1.149 104 M CA -0.755 54.306 55.300 -0.398 0.000 0.929 104 M CB 2.420 34.996 32.600 -0.039 0.000 1.683 104 M HN 0.458 nan 8.290 nan 0.000 0.470 105 R N 1.881 122.028 120.500 -0.588 0.000 2.460 105 R HA 0.595 4.935 4.340 -0.000 0.000 0.303 105 R C -1.665 174.669 176.300 0.057 0.000 0.968 105 R CA -0.373 55.547 56.100 -0.300 0.000 0.889 105 R CB 1.085 31.145 30.300 -0.401 0.000 1.123 105 R HN 0.878 nan 8.270 nan 0.000 0.455 106 H N 4.963 124.010 119.070 -0.040 0.000 3.038 106 H HA 0.227 4.783 4.556 -0.000 0.000 0.362 106 H C -2.259 173.052 175.328 -0.029 0.000 1.167 106 H CA -1.929 54.111 56.048 -0.014 0.000 1.197 106 H CB 2.610 32.270 29.762 -0.170 0.000 1.840 106 H HN 0.383 nan 8.280 nan 0.000 0.540 107 P HA -0.151 nan 4.420 nan 0.000 0.217 107 P C -0.084 177.315 177.300 0.163 0.000 1.148 107 P CA 1.132 64.288 63.100 0.093 0.000 0.828 107 P CB 0.752 32.434 31.700 -0.030 0.000 0.783 108 Q N -0.043 119.944 119.800 0.312 0.000 2.230 108 Q HA 0.240 4.579 4.340 -0.000 0.000 0.253 108 Q C -0.352 175.642 176.000 -0.011 0.000 0.919 108 Q CA -0.436 55.421 55.803 0.090 0.000 0.908 108 Q CB 0.935 29.698 28.738 0.042 0.000 1.245 108 Q HN -0.005 nan 8.270 nan 0.000 0.437 109 E N 0.296 120.484 120.200 -0.019 0.000 2.392 109 E HA 0.344 4.694 4.350 -0.000 0.000 0.264 109 E C 0.761 177.315 176.600 -0.077 0.000 1.024 109 E CA 1.242 57.621 56.400 -0.035 0.000 0.903 109 E CB 0.539 30.231 29.700 -0.014 0.000 0.963 109 E HN 0.787 nan 8.360 nan 0.000 0.432 110 G N 1.706 110.457 108.800 -0.082 0.000 2.217 110 G HA2 -0.371 3.588 3.960 -0.000 0.000 0.246 110 G HA3 -0.371 3.588 3.960 -0.000 0.000 0.246 110 G C 1.204 176.010 174.900 -0.156 0.000 0.990 110 G CA 0.634 45.677 45.100 -0.096 0.000 0.627 110 G HN 0.680 nan 8.290 nan 0.000 0.522 111 A N 0.769 123.442 122.820 -0.246 0.000 1.873 111 A HA 0.241 4.561 4.320 -0.000 0.000 0.218 111 A C 2.884 180.295 177.584 -0.288 0.000 1.193 111 A CA 3.387 55.169 52.037 -0.426 0.000 0.629 111 A CB -1.064 17.456 19.000 -0.801 0.000 0.826 111 A HN 1.881 nan 8.150 nan 0.000 0.447 112 A N -0.908 121.799 122.820 -0.189 0.000 1.933 112 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 112 A C 2.234 179.745 177.584 -0.122 0.000 1.175 112 A CA 1.764 53.723 52.037 -0.130 0.000 0.628 112 A CB -0.450 18.504 19.000 -0.077 0.000 0.814 112 A HN 0.561 nan 8.150 nan 0.000 0.444 113 R N -0.678 119.758 120.500 -0.106 0.000 2.066 113 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 113 R C 2.148 178.390 176.300 -0.097 0.000 1.131 113 R CA 1.493 57.535 56.100 -0.097 0.000 0.955 113 R CB -0.418 29.840 30.300 -0.070 0.000 0.851 113 R HN 0.552 nan 8.270 nan 0.000 0.432 114 L N 0.319 121.495 121.223 -0.080 0.000 2.042 114 L HA -0.182 4.157 4.340 -0.000 0.000 0.210 114 L C 2.322 179.229 176.870 0.062 0.000 1.076 114 L CA 1.832 56.672 54.840 -0.000 0.000 0.749 114 L CB -0.428 41.615 42.059 -0.027 0.000 0.893 114 L HN 0.304 nan 8.230 nan 0.000 0.432 115 A N -0.462 122.332 122.820 -0.042 0.000 1.917 115 A HA -0.312 4.008 4.320 -0.000 0.000 0.219 115 A C 2.383 179.940 177.584 -0.045 0.000 1.182 115 A CA 2.614 54.636 52.037 -0.025 0.000 0.633 115 A CB -1.422 17.527 19.000 -0.085 0.000 0.819 115 A HN 0.664 nan 8.150 nan 0.000 0.448 116 T N -2.646 111.783 114.554 -0.209 0.000 2.962 116 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 116 T C 1.436 175.972 174.700 -0.274 0.000 1.088 116 T CA 1.578 63.396 62.100 -0.470 0.000 1.127 116 T CB -0.291 68.157 68.868 -0.699 0.000 0.883 116 T HN 0.556 nan 8.240 nan 0.000 0.493 117 E N -0.423 119.667 120.200 -0.183 0.000 2.478 117 E HA 0.143 4.493 4.350 -0.000 0.000 0.198 117 E C 0.356 176.621 176.600 -0.559 0.000 1.046 117 E CA 0.633 56.824 56.400 -0.349 0.000 0.870 117 E CB -0.075 29.374 29.700 -0.418 0.000 0.818 117 E HN 0.733 nan 8.360 nan 0.000 0.527 118 F N -2.166 117.728 119.950 -0.093 0.000 2.915 118 F HA 0.094 4.621 4.527 -0.000 0.000 0.347 118 F C 1.647 177.415 175.800 -0.054 0.000 1.104 118 F CA -0.094 57.867 58.000 -0.065 0.000 1.126 118 F CB 0.682 39.642 39.000 -0.067 0.000 1.145 118 F HN -0.054 nan 8.300 nan 0.000 0.541 119 S N -0.856 114.893 115.700 0.081 0.000 2.593 119 S HA 0.432 4.902 4.470 -0.000 0.000 0.217 119 S C 1.705 176.340 174.600 0.059 0.000 0.966 119 S CA 0.483 58.719 58.200 0.060 0.000 0.914 119 S CB -0.368 62.856 63.200 0.040 0.000 0.776 119 S HN 0.570 nan 8.310 nan 0.000 0.523 120 G N 3.111 111.937 108.800 0.042 0.000 2.601 120 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.306 120 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.306 120 G C 0.423 175.353 174.900 0.049 0.000 1.172 120 G CA 0.435 45.554 45.100 0.031 0.000 0.966 120 G HN 0.503 nan 8.290 nan 0.000 0.542 121 N N 0.725 119.445 118.700 0.032 0.000 2.234 121 N HA 0.341 5.081 4.740 -0.000 0.000 0.227 121 N C -0.009 175.503 175.510 0.003 0.000 1.151 121 N CA 0.366 53.419 53.050 0.004 0.000 0.865 121 N CB 1.044 39.520 38.487 -0.020 0.000 1.066 121 N HN 0.378 nan 8.380 nan 0.000 0.515 122 V N 3.032 122.982 119.914 0.059 0.000 2.406 122 V HA 0.288 4.407 4.120 -0.000 0.000 0.272 122 V C -2.103 174.069 176.094 0.131 0.000 1.043 122 V CA -1.575 60.759 62.300 0.056 0.000 0.915 122 V CB 1.381 33.233 31.823 0.048 0.000 0.988 122 V HN -0.024 nan 8.190 nan 0.000 0.466 123 P HA 0.216 nan 4.420 nan 0.000 0.276 123 P C -0.759 176.657 177.300 0.192 0.000 1.230 123 P CA -0.128 63.022 63.100 0.082 0.000 0.776 123 P CB 0.770 32.417 31.700 -0.088 0.000 0.888 124 V N 4.978 125.107 119.914 0.358 0.000 2.370 124 V HA 0.282 4.401 4.120 -0.000 0.000 0.283 124 V C 0.019 176.170 176.094 0.096 0.000 1.023 124 V CA -0.402 61.974 62.300 0.127 0.000 0.857 124 V CB 0.906 32.713 31.823 -0.027 0.000 0.985 124 V HN 0.320 nan 8.190 nan 0.000 0.443 125 L N 4.522 125.754 121.223 0.016 0.000 2.305 125 L HA 0.492 4.831 4.340 -0.000 0.000 0.284 125 L C 0.196 177.047 176.870 -0.032 0.000 1.013 125 L CA -0.213 54.638 54.840 0.019 0.000 0.819 125 L CB 1.335 43.408 42.059 0.023 0.000 1.227 125 L HN 0.483 nan 8.230 nan 0.000 0.417 126 N N 2.085 120.808 118.700 0.038 0.000 2.411 126 N HA 0.304 5.044 4.740 -0.000 0.000 0.259 126 N C 0.411 175.993 175.510 0.119 0.000 1.103 126 N CA 0.070 53.141 53.050 0.035 0.000 0.954 126 N CB 1.667 40.192 38.487 0.063 0.000 1.085 126 N HN 0.720 nan 8.380 nan 0.000 0.485 127 A N 2.308 125.143 122.820 0.024 0.000 2.345 127 A HA 0.499 4.818 4.320 -0.000 0.000 0.225 127 A C 0.647 178.298 177.584 0.111 0.000 1.243 127 A CA 0.327 52.492 52.037 0.213 0.000 0.875 127 A CB -0.578 18.450 19.000 0.047 0.000 0.929 127 A HN 0.801 nan 8.150 nan 0.000 0.502 128 G N 0.864 109.685 108.800 0.034 0.000 2.621 128 G HA2 0.333 4.293 3.960 -0.000 0.000 0.355 128 G HA3 0.333 4.293 3.960 -0.000 0.000 0.355 128 G C -1.484 173.407 174.900 -0.015 0.000 1.509 128 G CA -0.208 44.856 45.100 -0.059 0.000 1.000 128 G HN 0.439 nan 8.290 nan 0.000 0.646 129 D N 2.086 122.490 120.400 0.007 0.000 2.404 129 D HA 0.538 5.178 4.640 -0.000 0.000 0.267 129 D C 1.112 177.424 176.300 0.020 0.000 1.194 129 D CA 0.442 54.446 54.000 0.007 0.000 0.910 129 D CB 0.678 41.459 40.800 -0.032 0.000 1.090 129 D HN 1.822 nan 8.370 nan 0.000 0.511 130 G N 2.806 111.627 108.800 0.035 0.000 2.596 130 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.295 130 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.295 130 G C 0.785 175.707 174.900 0.036 0.000 1.240 130 G CA 0.692 45.814 45.100 0.036 0.000 0.985 130 G HN 1.097 nan 8.290 nan 0.000 0.555 131 S N 0.834 116.560 115.700 0.044 0.000 2.851 131 S HA 0.187 4.657 4.470 -0.000 0.000 0.227 131 S C 1.188 175.838 174.600 0.083 0.000 0.958 131 S CA 1.181 59.423 58.200 0.069 0.000 0.990 131 S CB 0.105 63.354 63.200 0.082 0.000 0.790 131 S HN 0.843 nan 8.310 nan 0.000 0.509 132 N N 1.032 119.774 118.700 0.069 0.000 2.531 132 N HA 0.163 4.902 4.740 -0.000 0.000 0.223 132 N C 0.166 175.733 175.510 0.095 0.000 1.023 132 N CA 0.620 53.713 53.050 0.071 0.000 1.124 132 N CB 0.326 38.834 38.487 0.035 0.000 1.427 132 N HN 0.307 nan 8.380 nan 0.000 0.558 133 Q N -1.095 118.759 119.800 0.090 0.000 2.528 133 Q HA 0.253 4.593 4.340 -0.000 0.000 0.289 133 Q C -1.335 174.782 176.000 0.195 0.000 1.091 133 Q CA -0.495 55.386 55.803 0.130 0.000 0.797 133 Q CB 2.047 30.849 28.738 0.106 0.000 1.466 133 Q HN 0.485 nan 8.270 nan 0.000 0.436 134 H N 0.355 119.481 119.070 0.092 0.000 2.927 134 H HA 0.253 4.808 4.556 -0.000 0.000 0.213 134 H C -2.324 173.078 175.328 0.123 0.000 1.363 134 H CA -1.685 54.433 56.048 0.116 0.000 1.369 134 H CB 0.475 30.310 29.762 0.121 0.000 2.040 134 H HN 0.260 nan 8.280 nan 0.000 0.544 135 P HA -0.124 nan 4.420 nan 0.000 0.218 135 P C 1.542 178.868 177.300 0.044 0.000 1.149 135 P CA 1.893 65.054 63.100 0.102 0.000 0.817 135 P CB 0.190 31.962 31.700 0.119 0.000 0.785 136 T N -3.908 110.667 114.554 0.034 0.000 3.055 136 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 136 T C 1.941 176.541 174.700 -0.166 0.000 1.111 136 T CA 0.632 62.714 62.100 -0.030 0.000 1.118 136 T CB -0.594 68.275 68.868 0.001 0.000 0.909 136 T HN -0.001 nan 8.240 nan 0.000 0.501 137 Q N 1.843 121.404 119.800 -0.399 0.000 2.046 137 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 137 Q C 2.273 178.241 176.000 -0.054 0.000 0.975 137 Q CA 2.224 57.845 55.803 -0.304 0.000 0.836 137 Q CB -1.090 27.383 28.738 -0.442 0.000 0.896 137 Q HN 0.520 nan 8.270 nan 0.000 0.428 138 T N 1.115 115.656 114.554 -0.023 0.000 2.720 138 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 138 T C 1.689 176.433 174.700 0.072 0.000 1.037 138 T CA 1.506 63.633 62.100 0.046 0.000 1.144 138 T CB -0.287 68.614 68.868 0.055 0.000 0.864 138 T HN 0.236 nan 8.240 nan 0.000 0.444 139 L N 1.645 122.903 121.223 0.059 0.000 2.093 139 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 139 L C 2.539 179.482 176.870 0.121 0.000 1.085 139 L CA 0.746 55.638 54.840 0.085 0.000 0.755 139 L CB -0.691 41.402 42.059 0.056 0.000 0.904 139 L HN 0.327 nan 8.230 nan 0.000 0.435 140 L N -2.409 118.869 121.223 0.092 0.000 2.217 140 L HA -0.086 4.254 4.340 -0.000 0.000 0.211 140 L C 1.662 178.672 176.870 0.234 0.000 1.107 140 L CA 1.592 56.536 54.840 0.173 0.000 0.783 140 L CB -1.127 40.998 42.059 0.109 0.000 0.919 140 L HN 0.189 nan 8.230 nan 0.000 0.442 141 D N 1.338 121.850 120.400 0.187 0.000 2.084 141 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 141 D C 2.549 178.954 176.300 0.174 0.000 0.985 141 D CA 1.404 55.533 54.000 0.216 0.000 0.826 141 D CB -0.189 40.752 40.800 0.235 0.000 0.978 141 D HN 0.357 nan 8.370 nan 0.000 0.456 142 L N -0.020 121.286 121.223 0.138 0.000 2.012 142 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 142 L C 2.460 179.397 176.870 0.110 0.000 1.073 142 L CA 1.040 55.929 54.840 0.082 0.000 0.748 142 L CB -0.558 41.545 42.059 0.073 0.000 0.891 142 L HN -0.003 nan 8.230 nan 0.000 0.431 143 F N 0.761 120.738 119.950 0.045 0.000 2.115 143 F HA -0.330 4.197 4.527 -0.000 0.000 0.300 143 F C 2.453 178.298 175.800 0.074 0.000 1.092 143 F CA 2.165 60.201 58.000 0.059 0.000 1.245 143 F CB -0.155 38.901 39.000 0.093 0.000 0.995 143 F HN 0.005 nan 8.300 nan 0.000 0.481 144 T N 1.032 115.602 114.554 0.027 0.000 2.904 144 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 144 T C 1.983 176.647 174.700 -0.060 0.000 1.059 144 T CA 1.517 63.614 62.100 -0.006 0.000 1.137 144 T CB -0.291 68.700 68.868 0.205 0.000 0.879 144 T HN 0.289 nan 8.240 nan 0.000 0.467 145 I N 1.046 121.596 120.570 -0.034 0.000 2.286 145 I HA -0.147 4.023 4.170 -0.000 0.000 0.245 145 I C 2.845 178.874 176.117 -0.147 0.000 1.104 145 I CA 1.206 62.461 61.300 -0.074 0.000 1.397 145 I CB -0.368 37.604 38.000 -0.047 0.000 1.072 145 I HN 0.281 nan 8.210 nan 0.000 0.417 146 Q N 1.493 121.198 119.800 -0.158 0.000 2.172 146 Q HA -0.244 4.096 4.340 -0.000 0.000 0.200 146 Q C 2.001 177.872 176.000 -0.215 0.000 0.964 146 Q CA 1.716 57.415 55.803 -0.173 0.000 0.855 146 Q CB 0.032 28.694 28.738 -0.128 0.000 0.918 146 Q HN 0.657 nan 8.270 nan 0.000 0.444 147 E N 0.031 120.038 120.200 -0.322 0.000 2.158 147 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 147 E C 1.774 178.225 176.600 -0.249 0.000 0.982 147 E CA 1.595 57.791 56.400 -0.340 0.000 0.823 147 E CB -0.161 29.186 29.700 -0.589 0.000 0.766 147 E HN 0.415 nan 8.360 nan 0.000 0.468 148 T N -1.975 112.418 114.554 -0.269 0.000 2.939 148 T HA 0.001 4.350 4.350 -0.000 0.000 0.254 148 T C 1.931 176.467 174.700 -0.273 0.000 1.041 148 T CA 0.388 62.280 62.100 -0.348 0.000 1.142 148 T CB 0.088 68.628 68.868 -0.547 0.000 0.874 148 T HN -0.024 nan 8.240 nan 0.000 0.452 149 Q N 0.997 120.665 119.800 -0.220 0.000 2.163 149 Q HA 0.290 4.629 4.340 -0.000 0.000 0.198 149 Q C 2.174 178.082 176.000 -0.153 0.000 0.954 149 Q CA 1.441 57.136 55.803 -0.180 0.000 0.851 149 Q CB -0.379 28.262 28.738 -0.162 0.000 0.928 149 Q HN 0.811 nan 8.270 nan 0.000 0.459 150 G N 0.845 109.558 108.800 -0.146 0.000 2.238 150 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.217 150 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.217 150 G C 0.268 175.109 174.900 -0.097 0.000 0.996 150 G CA 0.215 45.246 45.100 -0.113 0.000 0.632 150 G HN 0.410 nan 8.290 nan 0.000 0.503 151 R N -1.474 118.957 120.500 -0.115 0.000 2.781 151 R HA 0.813 5.152 4.340 -0.000 0.000 0.268 151 R C 0.062 176.257 176.300 -0.175 0.000 1.047 151 R CA -0.914 55.120 56.100 -0.110 0.000 0.925 151 R CB 0.303 30.558 30.300 -0.074 0.000 1.246 151 R HN 0.149 nan 8.270 nan 0.000 0.456 152 L N -0.411 120.673 121.223 -0.232 0.000 3.086 152 L HA 0.316 4.656 4.340 -0.000 0.000 0.274 152 L C -0.790 175.942 176.870 -0.231 0.000 1.184 152 L CA -0.186 54.397 54.840 -0.427 0.000 1.002 152 L CB 0.338 41.721 42.059 -1.127 0.000 1.383 152 L HN 0.694 nan 8.230 nan 0.000 0.582 153 D N -2.175 118.197 120.400 -0.048 0.000 2.414 153 D HA 0.303 4.943 4.640 -0.000 0.000 0.241 153 D C -0.281 176.009 176.300 -0.016 0.000 1.008 153 D CA -0.892 53.139 54.000 0.052 0.000 1.001 153 D CB 0.315 41.205 40.800 0.150 0.000 1.277 153 D HN -0.019 nan 8.370 nan 0.000 0.538 154 N N -1.448 117.251 118.700 -0.002 0.000 2.725 154 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 154 N C -1.194 174.247 175.510 -0.115 0.000 1.031 154 N CA 0.278 53.307 53.050 -0.036 0.000 0.720 154 N CB -1.350 37.115 38.487 -0.037 0.000 0.930 154 N HN 0.347 nan 8.380 nan 0.000 0.543 155 L N -0.107 121.041 121.223 -0.125 0.000 2.330 155 L HA 0.464 4.804 4.340 -0.000 0.000 0.271 155 L C 0.382 177.186 176.870 -0.110 0.000 1.013 155 L CA -0.816 53.909 54.840 -0.191 0.000 0.816 155 L CB 1.302 43.246 42.059 -0.191 0.000 1.287 155 L HN 0.254 nan 8.230 nan 0.000 0.435 156 H N 1.205 120.148 119.070 -0.212 0.000 2.661 156 H HA 0.399 4.955 4.556 -0.000 0.000 0.290 156 H C -1.022 174.159 175.328 -0.245 0.000 1.082 156 H CA -0.829 55.062 56.048 -0.261 0.000 1.234 156 H CB 1.265 31.015 29.762 -0.021 0.000 1.387 156 H HN 0.170 nan 8.280 nan 0.000 0.476 157 V N 3.008 122.714 119.914 -0.346 0.000 2.347 157 V HA 0.420 4.540 4.120 -0.000 0.000 0.280 157 V C 0.182 176.171 176.094 -0.176 0.000 1.021 157 V CA -0.691 61.442 62.300 -0.278 0.000 0.847 157 V CB 1.131 32.662 31.823 -0.487 0.000 0.990 157 V HN 0.827 nan 8.190 nan 0.000 0.444 158 A N 7.733 130.601 122.820 0.080 0.000 2.260 158 A HA 0.852 5.172 4.320 -0.000 0.000 0.314 158 A C -0.205 177.521 177.584 0.237 0.000 1.257 158 A CA -0.576 51.584 52.037 0.205 0.000 0.871 158 A CB 0.550 19.697 19.000 0.246 0.000 1.166 158 A HN 0.774 nan 8.150 nan 0.000 0.522 159 M N 3.344 123.131 119.600 0.312 0.000 2.227 159 M HA 0.579 5.059 4.480 -0.000 0.000 0.335 159 M C -1.151 175.313 176.300 0.274 0.000 1.053 159 M CA -0.610 54.894 55.300 0.339 0.000 0.973 159 M CB 1.090 33.926 32.600 0.393 0.000 1.623 159 M HN 0.244 nan 8.290 nan 0.000 0.434 160 V N 1.730 121.755 119.914 0.185 0.000 2.789 160 V HA 0.959 5.079 4.120 -0.000 0.000 0.311 160 V C 0.451 176.551 176.094 0.009 0.000 1.073 160 V CA 0.168 62.523 62.300 0.091 0.000 0.921 160 V CB 1.581 33.474 31.823 0.117 0.000 1.009 160 V HN 1.194 nan 8.190 nan 0.000 0.426 161 G N 3.376 112.116 108.800 -0.100 0.000 2.395 161 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.201 161 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.201 161 G C -0.818 174.007 174.900 -0.125 0.000 1.206 161 G CA 0.021 45.061 45.100 -0.100 0.000 1.210 161 G HN 0.814 nan 8.290 nan 0.000 0.557 162 D N 1.744 122.115 120.400 -0.047 0.000 2.374 162 D HA 0.437 5.077 4.640 -0.000 0.000 0.240 162 D C 1.610 177.869 176.300 -0.068 0.000 1.229 162 D CA -0.259 53.721 54.000 -0.033 0.000 0.895 162 D CB 0.212 41.048 40.800 0.060 0.000 1.046 162 D HN 0.391 nan 8.370 nan 0.000 0.498 163 L N 3.176 124.331 121.223 -0.114 0.000 2.567 163 L HA 0.112 4.452 4.340 -0.000 0.000 0.225 163 L C 2.211 179.046 176.870 -0.058 0.000 1.119 163 L CA 0.025 54.792 54.840 -0.122 0.000 0.871 163 L CB 0.099 42.048 42.059 -0.184 0.000 1.036 163 L HN 0.301 nan 8.230 nan 0.000 0.459 164 K N 0.198 120.494 120.400 -0.173 0.000 2.067 164 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 164 K C 1.519 177.975 176.600 -0.240 0.000 1.048 164 K CA 1.311 57.414 56.287 -0.307 0.000 0.954 164 K CB 0.136 32.246 32.500 -0.649 0.000 0.737 164 K HN 0.124 nan 8.250 nan 0.000 0.444 165 Y N -0.288 120.045 120.300 0.056 0.000 2.449 165 Y HA 0.279 4.829 4.550 -0.000 0.000 0.254 165 Y C 0.950 176.786 175.900 -0.107 0.000 1.140 165 Y CA -0.269 57.850 58.100 0.033 0.000 1.272 165 Y CB 0.325 38.802 38.460 0.027 0.000 1.114 165 Y HN -0.010 nan 8.280 nan 0.000 0.525 166 G N 1.745 110.457 108.800 -0.146 0.000 2.661 166 G HA2 0.017 3.977 3.960 -0.000 0.000 0.292 166 G HA3 0.017 3.977 3.960 -0.000 0.000 0.292 166 G C 1.275 175.843 174.900 -0.553 0.000 0.781 166 G CA -0.336 44.615 45.100 -0.247 0.000 1.860 166 G HN 0.459 nan 8.290 nan 0.000 0.512 167 R N 1.133 121.478 120.500 -0.259 0.000 2.152 167 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 167 R C 2.128 178.381 176.300 -0.079 0.000 1.117 167 R CA 2.006 58.013 56.100 -0.155 0.000 0.981 167 R CB -0.287 30.037 30.300 0.041 0.000 0.870 167 R HN 0.476 nan 8.270 nan 0.000 0.451 168 T N -1.698 112.837 114.554 -0.032 0.000 3.035 168 T HA 0.003 4.353 4.350 -0.000 0.000 0.259 168 T C 1.988 176.642 174.700 -0.078 0.000 1.078 168 T CA 0.614 62.731 62.100 0.030 0.000 1.132 168 T CB -0.175 68.782 68.868 0.148 0.000 0.900 168 T HN 0.179 nan 8.240 nan 0.000 0.480 169 V N 0.056 119.879 119.914 -0.152 0.000 2.427 169 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 169 V C 2.364 178.395 176.094 -0.104 0.000 1.051 169 V CA 1.680 63.859 62.300 -0.202 0.000 1.048 169 V CB -1.589 30.150 31.823 -0.140 0.000 0.666 169 V HN 0.606 nan 8.190 nan 0.000 0.456 170 H N 0.296 119.286 119.070 -0.133 0.000 2.353 170 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 170 H C 2.746 178.017 175.328 -0.095 0.000 1.090 170 H CA 1.430 57.382 56.048 -0.160 0.000 1.327 170 H CB -0.060 29.639 29.762 -0.106 0.000 1.383 170 H HN 0.485 nan 8.280 nan 0.000 0.508 171 S N 0.420 116.167 115.700 0.078 0.000 2.368 171 S HA -0.114 4.355 4.470 -0.000 0.000 0.224 171 S C 2.074 176.690 174.600 0.027 0.000 1.029 171 S CA 0.748 58.985 58.200 0.062 0.000 0.988 171 S CB -0.229 63.017 63.200 0.076 0.000 0.838 171 S HN 0.200 nan 8.310 nan 0.000 0.462 172 L N 1.509 122.717 121.223 -0.026 0.000 2.083 172 L HA -0.029 4.311 4.340 -0.000 0.000 0.209 172 L C 2.274 179.159 176.870 0.025 0.000 1.083 172 L CA 2.077 56.895 54.840 -0.036 0.000 0.752 172 L CB -1.317 40.617 42.059 -0.208 0.000 0.899 172 L HN 0.247 nan 8.230 nan 0.000 0.433 173 T N -0.805 113.735 114.554 -0.023 0.000 2.867 173 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 173 T C 1.812 176.460 174.700 -0.086 0.000 1.057 173 T CA 1.350 63.391 62.100 -0.098 0.000 1.136 173 T CB -0.130 68.564 68.868 -0.291 0.000 0.874 173 T HN 0.464 nan 8.240 nan 0.000 0.466 174 Q N 0.463 120.239 119.800 -0.040 0.000 2.119 174 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 174 Q C 2.744 178.784 176.000 0.066 0.000 0.972 174 Q CA 1.337 57.139 55.803 -0.002 0.000 0.847 174 Q CB -0.264 28.487 28.738 0.021 0.000 0.903 174 Q HN 0.570 nan 8.270 nan 0.000 0.433 175 A N 1.045 123.929 122.820 0.106 0.000 1.872 175 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 175 A C 2.095 179.867 177.584 0.313 0.000 1.187 175 A CA 0.849 52.996 52.037 0.184 0.000 0.614 175 A CB -0.665 18.434 19.000 0.165 0.000 0.826 175 A HN 0.258 nan 8.150 nan 0.000 0.442 176 L N -0.604 120.795 121.223 0.292 0.000 2.131 176 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 176 L C 2.926 180.043 176.870 0.412 0.000 1.092 176 L CA 0.853 55.924 54.840 0.384 0.000 0.759 176 L CB -0.465 41.853 42.059 0.432 0.000 0.903 176 L HN 0.455 nan 8.230 nan 0.000 0.435 177 A N -0.094 122.884 122.820 0.263 0.000 2.125 177 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 177 A C 2.126 179.792 177.584 0.136 0.000 1.156 177 A CA 1.108 53.249 52.037 0.174 0.000 0.671 177 A CB -0.254 18.774 19.000 0.046 0.000 0.794 177 A HN 0.338 nan 8.150 nan 0.000 0.459 178 K N -1.212 119.269 120.400 0.135 0.000 2.366 178 K HA 0.105 4.425 4.320 -0.000 0.000 0.198 178 K C -0.227 176.227 176.600 -0.242 0.000 1.044 178 K CA 0.271 56.516 56.287 -0.070 0.000 0.973 178 K CB -0.050 32.344 32.500 -0.177 0.000 0.767 178 K HN 0.515 nan 8.250 nan 0.000 0.475 179 F N 1.392 121.384 119.950 0.070 0.000 2.377 179 F HA 0.206 4.732 4.527 -0.000 0.000 0.335 179 F C 0.416 176.252 175.800 0.060 0.000 1.099 179 F CA -1.007 57.028 58.000 0.057 0.000 1.072 179 F CB 0.662 39.693 39.000 0.052 0.000 1.417 179 F HN -0.204 nan 8.300 nan 0.000 0.495 180 D N -1.228 119.317 120.400 0.242 0.000 2.228 180 D HA 0.460 5.100 4.640 -0.000 0.000 0.247 180 D C 0.316 176.687 176.300 0.118 0.000 0.995 180 D CA 0.305 54.389 54.000 0.140 0.000 0.903 180 D CB 1.533 42.389 40.800 0.094 0.000 1.205 180 D HN 0.761 nan 8.370 nan 0.000 0.459 181 G N 1.103 109.961 108.800 0.097 0.000 2.225 181 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.267 181 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.267 181 G C -0.049 174.887 174.900 0.061 0.000 1.024 181 G CA -0.250 44.893 45.100 0.073 0.000 0.784 181 G HN 0.417 nan 8.290 nan 0.000 0.507 182 N N -0.357 118.391 118.700 0.079 0.000 2.515 182 N HA 0.589 5.329 4.740 -0.000 0.000 0.279 182 N C 0.268 175.740 175.510 -0.064 0.000 1.164 182 N CA -0.305 52.729 53.050 -0.028 0.000 0.982 182 N CB 1.127 39.584 38.487 -0.050 0.000 1.170 182 N HN 0.416 nan 8.380 nan 0.000 0.474 183 R N 1.092 121.420 120.500 -0.287 0.000 2.476 183 R HA 0.394 4.733 4.340 -0.000 0.000 0.305 183 R C -1.303 174.528 176.300 -0.783 0.000 0.965 183 R CA -0.420 55.461 56.100 -0.364 0.000 0.867 183 R CB 0.560 30.630 30.300 -0.384 0.000 1.176 183 R HN 0.360 nan 8.270 nan 0.000 0.447 184 F N 3.775 123.449 119.950 -0.459 0.000 2.421 184 F HA 0.406 4.933 4.527 -0.000 0.000 0.337 184 F C -0.505 174.818 175.800 -0.795 0.000 1.105 184 F CA -0.234 57.397 58.000 -0.615 0.000 1.049 184 F CB 1.218 39.915 39.000 -0.506 0.000 1.139 184 F HN 0.410 nan 8.300 nan 0.000 0.479 185 Y N 3.164 123.300 120.300 -0.274 0.000 2.328 185 Y HA 0.486 5.036 4.550 -0.000 0.000 0.333 185 Y C -0.994 174.806 175.900 -0.167 0.000 0.958 185 Y CA -1.169 56.837 58.100 -0.156 0.000 1.167 185 Y CB 0.934 39.360 38.460 -0.057 0.000 1.151 185 Y HN 0.299 nan 8.280 nan 0.000 0.470 186 F N 4.191 124.385 119.950 0.406 0.000 2.415 186 F HA 0.537 5.064 4.527 -0.000 0.000 0.348 186 F C -0.102 175.820 175.800 0.202 0.000 1.119 186 F CA -1.567 56.569 58.000 0.225 0.000 1.069 186 F CB 0.934 40.001 39.000 0.111 0.000 1.124 186 F HN 0.322 nan 8.300 nan 0.000 0.472 187 I N 3.561 124.309 120.570 0.297 0.000 2.668 187 I HA 0.541 4.710 4.170 -0.000 0.000 0.276 187 I C -0.290 175.738 176.117 -0.148 0.000 1.139 187 I CA -0.183 61.220 61.300 0.171 0.000 1.133 187 I CB 0.493 38.645 38.000 0.253 0.000 1.327 187 I HN 0.692 nan 8.210 nan 0.000 0.520 188 A N 6.320 129.001 122.820 -0.231 0.000 2.386 188 A HA 1.002 5.322 4.320 -0.000 0.000 0.308 188 A C -2.752 174.525 177.584 -0.513 0.000 1.128 188 A CA -1.588 50.165 52.037 -0.473 0.000 0.789 188 A CB 1.241 20.106 19.000 -0.226 0.000 1.325 188 A HN 0.246 nan 8.150 nan 0.000 0.437 189 P HA 0.272 nan 4.420 nan 0.000 0.276 189 P C -0.682 176.590 177.300 -0.047 0.000 1.244 189 P CA -0.179 62.857 63.100 -0.106 0.000 0.801 189 P CB 0.581 32.291 31.700 0.016 0.000 1.006 190 D N 1.055 121.469 120.400 0.023 0.000 2.182 190 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 190 D C 1.782 178.078 176.300 -0.006 0.000 0.986 190 D CA 1.593 55.601 54.000 0.013 0.000 0.847 190 D CB -0.881 39.942 40.800 0.039 0.000 0.942 190 D HN 0.396 nan 8.370 nan 0.000 0.467 191 A N -0.056 122.769 122.820 0.008 0.000 2.066 191 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 191 A C 1.444 179.005 177.584 -0.038 0.000 1.157 191 A CA 0.452 52.492 52.037 0.005 0.000 0.670 191 A CB -0.225 18.802 19.000 0.045 0.000 0.804 191 A HN 0.265 nan 8.150 nan 0.000 0.453 192 L N 0.440 121.624 121.223 -0.065 0.000 3.030 192 L HA 0.402 4.742 4.340 -0.000 0.000 0.252 192 L C 0.461 177.233 176.870 -0.162 0.000 1.316 192 L CA -0.627 54.138 54.840 -0.124 0.000 0.975 192 L CB 0.507 42.521 42.059 -0.074 0.000 1.357 192 L HN 0.311 nan 8.230 nan 0.000 0.534 193 A N 0.624 123.348 122.820 -0.159 0.000 2.351 193 A HA 0.417 4.737 4.320 -0.000 0.000 0.257 193 A C 0.137 177.570 177.584 -0.253 0.000 1.087 193 A CA -0.506 51.429 52.037 -0.170 0.000 0.798 193 A CB 0.438 19.363 19.000 -0.125 0.000 1.033 193 A HN 0.377 nan 8.150 nan 0.000 0.488 194 M N 2.518 121.919 119.600 -0.332 0.000 2.390 194 M HA 0.183 4.663 4.480 -0.000 0.000 0.353 194 M C -2.222 173.782 176.300 -0.493 0.000 1.623 194 M CA -1.748 53.234 55.300 -0.530 0.000 1.065 194 M CB -0.474 31.566 32.600 -0.933 0.000 2.025 194 M HN 0.287 nan 8.290 nan 0.000 0.461 195 P HA -0.029 nan 4.420 nan 0.000 0.265 195 P C 0.103 177.106 177.300 -0.495 0.000 1.187 195 P CA -0.001 62.817 63.100 -0.470 0.000 0.766 195 P CB 0.520 31.870 31.700 -0.583 0.000 0.820 196 Q N 3.830 123.464 119.800 -0.277 0.000 2.065 196 Q HA -0.268 4.072 4.340 -0.000 0.000 0.213 196 Q C 1.865 177.741 176.000 -0.207 0.000 1.012 196 Q CA 2.418 58.107 55.803 -0.189 0.000 0.876 196 Q CB -1.502 27.198 28.738 -0.064 0.000 0.954 196 Q HN 0.677 nan 8.270 nan 0.000 0.413 197 Y N -1.200 118.977 120.300 -0.205 0.000 2.241 197 Y HA -0.159 4.391 4.550 -0.000 0.000 0.286 197 Y C 1.655 177.416 175.900 -0.231 0.000 1.166 197 Y CA 1.163 59.153 58.100 -0.184 0.000 1.203 197 Y CB -0.396 37.963 38.460 -0.167 0.000 0.977 197 Y HN 0.125 nan 8.280 nan 0.000 0.529 198 I N 0.916 121.017 120.570 -0.781 0.000 2.286 198 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 198 I C 2.436 178.240 176.117 -0.521 0.000 1.104 198 I CA 1.080 61.972 61.300 -0.680 0.000 1.397 198 I CB -1.196 36.274 38.000 -0.884 0.000 1.072 198 I HN 0.401 nan 8.210 nan 0.000 0.417 199 L N 0.470 121.334 121.223 -0.599 0.000 2.079 199 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 199 L C 2.236 178.987 176.870 -0.198 0.000 1.081 199 L CA 1.317 55.761 54.840 -0.660 0.000 0.752 199 L CB -0.779 40.864 42.059 -0.692 0.000 0.896 199 L HN 0.197 nan 8.230 nan 0.000 0.433 200 D N -0.272 120.061 120.400 -0.112 0.000 2.117 200 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 200 D C 2.177 178.480 176.300 0.005 0.000 0.987 200 D CA 1.120 55.123 54.000 0.004 0.000 0.829 200 D CB -0.147 40.659 40.800 0.011 0.000 0.961 200 D HN 0.221 nan 8.370 nan 0.000 0.460 201 M N 0.471 120.043 119.600 -0.047 0.000 2.065 201 M HA -0.187 4.293 4.480 -0.000 0.000 0.259 201 M C 2.117 178.411 176.300 -0.010 0.000 1.069 201 M CA 1.355 56.637 55.300 -0.030 0.000 1.110 201 M CB -0.371 32.192 32.600 -0.062 0.000 1.328 201 M HN 0.000 nan 8.290 nan 0.000 0.405 202 L N 0.120 121.311 121.223 -0.053 0.000 1.989 202 L HA -0.291 4.049 4.340 -0.000 0.000 0.211 202 L C 2.175 179.156 176.870 0.186 0.000 1.071 202 L CA 1.628 56.495 54.840 0.046 0.000 0.749 202 L CB -1.384 40.653 42.059 -0.037 0.000 0.890 202 L HN 0.315 nan 8.230 nan 0.000 0.431 203 D N -0.175 120.382 120.400 0.261 0.000 2.149 203 D HA -0.238 4.401 4.640 -0.000 0.000 0.198 203 D C 2.020 178.397 176.300 0.128 0.000 0.990 203 D CA 1.396 55.543 54.000 0.245 0.000 0.839 203 D CB -0.080 40.864 40.800 0.239 0.000 0.948 203 D HN 0.488 nan 8.370 nan 0.000 0.460 204 E N 0.957 121.214 120.200 0.094 0.000 2.047 204 E HA -0.120 4.229 4.350 -0.000 0.000 0.191 204 E C 1.383 178.016 176.600 0.055 0.000 0.987 204 E CA 0.751 57.187 56.400 0.060 0.000 0.799 204 E CB 0.211 29.937 29.700 0.043 0.000 0.752 204 E HN 0.119 nan 8.360 nan 0.000 0.449 205 K N -0.290 120.146 120.400 0.060 0.000 2.525 205 K HA 0.045 4.365 4.320 -0.000 0.000 0.192 205 K C 0.733 177.376 176.600 0.072 0.000 1.029 205 K CA 0.566 56.888 56.287 0.057 0.000 1.029 205 K CB 0.293 32.826 32.500 0.054 0.000 0.814 205 K HN 0.310 nan 8.250 nan 0.000 0.503 206 G N 2.634 111.485 108.800 0.086 0.000 2.314 206 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.292 206 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.292 206 G C -0.042 174.920 174.900 0.103 0.000 1.059 206 G CA -0.028 45.122 45.100 0.083 0.000 0.982 206 G HN 0.302 nan 8.290 nan 0.000 0.505 207 I N 0.521 121.186 120.570 0.158 0.000 2.353 207 I HA 0.546 4.716 4.170 -0.000 0.000 0.293 207 I C 0.929 177.202 176.117 0.259 0.000 0.992 207 I CA -0.687 60.736 61.300 0.205 0.000 1.268 207 I CB 1.742 39.888 38.000 0.243 0.000 1.387 207 I HN 0.326 nan 8.210 nan 0.000 0.478 208 A N 8.538 131.465 122.820 0.179 0.000 2.409 208 A HA 0.494 4.814 4.320 -0.000 0.000 0.262 208 A C -0.643 177.067 177.584 0.211 0.000 1.113 208 A CA -0.276 51.817 52.037 0.093 0.000 0.790 208 A CB 0.248 19.251 19.000 0.006 0.000 1.046 208 A HN 0.846 nan 8.150 nan 0.000 0.496 209 W N 0.448 121.756 121.300 0.013 0.000 3.047 209 W HA 0.807 5.467 4.660 -0.000 0.000 0.341 209 W C -0.912 175.606 176.519 -0.001 0.000 1.225 209 W CA -0.874 56.442 57.345 -0.048 0.000 1.150 209 W CB 1.182 30.633 29.460 -0.016 0.000 1.470 209 W HN 0.711 nan 8.180 nan 0.000 0.578 210 S N 0.621 116.487 115.700 0.277 0.000 2.543 210 S HA 0.600 5.070 4.470 -0.000 0.000 0.274 210 S C -1.309 173.437 174.600 0.243 0.000 1.149 210 S CA -0.738 57.560 58.200 0.164 0.000 0.866 210 S CB 1.037 64.418 63.200 0.302 0.000 1.111 210 S HN 0.437 nan 8.310 nan 0.000 0.457 211 L N 4.731 125.974 121.223 0.034 0.000 2.307 211 L HA 0.649 4.989 4.340 -0.000 0.000 0.284 211 L C -0.313 176.350 176.870 -0.344 0.000 1.023 211 L CA -0.797 54.081 54.840 0.064 0.000 0.810 211 L CB 1.125 43.284 42.059 0.166 0.000 1.231 211 L HN 0.600 nan 8.230 nan 0.000 0.423 212 H N 1.117 120.278 119.070 0.151 0.000 2.622 212 H HA 0.269 4.825 4.556 -0.000 0.000 0.363 212 H C 0.009 175.429 175.328 0.155 0.000 1.151 212 H CA -0.651 55.459 56.048 0.103 0.000 1.184 212 H CB 2.388 32.173 29.762 0.039 0.000 1.643 212 H HN 0.568 nan 8.280 nan 0.000 0.531 213 S N 1.117 116.954 115.700 0.227 0.000 2.496 213 S HA -0.017 4.452 4.470 -0.000 0.000 0.224 213 S C 0.875 175.637 174.600 0.271 0.000 0.996 213 S CA 0.352 58.693 58.200 0.235 0.000 0.927 213 S CB 0.170 63.449 63.200 0.132 0.000 0.774 213 S HN 0.698 nan 8.310 nan 0.000 0.524 214 S N -0.308 115.526 115.700 0.223 0.000 2.547 214 S HA 0.461 4.931 4.470 -0.000 0.000 0.270 214 S C 0.588 175.259 174.600 0.118 0.000 1.150 214 S CA -0.919 57.373 58.200 0.154 0.000 0.850 214 S CB 0.422 63.640 63.200 0.029 0.000 1.118 214 S HN -0.045 nan 8.310 nan 0.000 0.461 215 I N 1.738 122.367 120.570 0.097 0.000 2.113 215 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 215 I C 2.680 178.763 176.117 -0.056 0.000 1.064 215 I CA 2.189 63.504 61.300 0.024 0.000 1.320 215 I CB -0.894 37.132 38.000 0.043 0.000 1.028 215 I HN 0.975 nan 8.210 nan 0.000 0.406 216 E N 1.800 121.979 120.200 -0.036 0.000 2.209 216 E HA -0.276 4.073 4.350 -0.000 0.000 0.196 216 E C 1.847 178.396 176.600 -0.085 0.000 0.993 216 E CA 1.513 57.882 56.400 -0.052 0.000 0.819 216 E CB -0.178 29.515 29.700 -0.012 0.000 0.745 216 E HN 0.690 nan 8.360 nan 0.000 0.477 217 E N 0.292 120.440 120.200 -0.087 0.000 2.049 217 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 217 E C 2.166 178.598 176.600 -0.279 0.000 1.007 217 E CA 2.153 58.475 56.400 -0.130 0.000 0.809 217 E CB -0.080 29.586 29.700 -0.057 0.000 0.749 217 E HN 0.407 nan 8.360 nan 0.000 0.450 218 V N -1.929 117.742 119.914 -0.404 0.000 3.578 218 V HA 0.117 4.237 4.120 -0.000 0.000 0.290 218 V C 1.861 177.754 176.094 -0.335 0.000 1.376 218 V CA 0.147 62.101 62.300 -0.577 0.000 1.083 218 V CB 0.345 31.527 31.823 -1.069 0.000 0.911 218 V HN 0.045 nan 8.190 nan 0.000 0.433 219 M N 3.200 122.669 119.600 -0.218 0.000 2.108 219 M HA -0.078 4.402 4.480 -0.000 0.000 0.257 219 M C 2.013 178.225 176.300 -0.146 0.000 1.071 219 M CA 2.579 57.781 55.300 -0.165 0.000 1.093 219 M CB -0.800 31.695 32.600 -0.175 0.000 1.345 219 M HN 0.427 nan 8.290 nan 0.000 0.403 220 A N -0.982 121.754 122.820 -0.140 0.000 2.121 220 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 220 A C 1.953 179.509 177.584 -0.046 0.000 1.154 220 A CA 1.517 53.496 52.037 -0.097 0.000 0.679 220 A CB -0.569 18.382 19.000 -0.082 0.000 0.795 220 A HN 0.615 nan 8.150 nan 0.000 0.458 221 E N -0.316 119.857 120.200 -0.045 0.000 2.364 221 E HA 0.075 4.425 4.350 -0.000 0.000 0.196 221 E C 0.671 177.419 176.600 0.247 0.000 0.990 221 E CA 0.572 57.031 56.400 0.098 0.000 0.886 221 E CB 0.217 29.912 29.700 -0.008 0.000 0.866 221 E HN 0.510 nan 8.360 nan 0.000 0.493 222 V N 0.130 120.122 119.914 0.130 0.000 2.607 222 V HA 0.214 4.334 4.120 -0.000 0.000 0.289 222 V C 0.669 176.797 176.094 0.056 0.000 1.053 222 V CA -0.409 61.997 62.300 0.176 0.000 0.996 222 V CB 1.528 33.433 31.823 0.138 0.000 0.995 222 V HN -0.166 nan 8.190 nan 0.000 0.476 223 D N 2.734 123.148 120.400 0.025 0.000 2.269 223 D HA 0.215 4.855 4.640 -0.000 0.000 0.220 223 D C 0.356 176.638 176.300 -0.029 0.000 0.962 223 D CA 1.200 55.172 54.000 -0.046 0.000 0.884 223 D CB 0.533 41.264 40.800 -0.113 0.000 1.023 223 D HN 0.420 nan 8.370 nan 0.000 0.484 224 I N 1.805 122.373 120.570 -0.003 0.000 2.447 224 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 224 I C -0.821 175.348 176.117 0.088 0.000 1.023 224 I CA -0.865 60.455 61.300 0.034 0.000 1.083 224 I CB 2.178 40.194 38.000 0.026 0.000 1.245 224 I HN -0.136 nan 8.210 nan 0.000 0.434 225 L N 8.688 129.974 121.223 0.105 0.000 2.301 225 L HA 0.422 4.762 4.340 -0.000 0.000 0.278 225 L C -1.493 175.467 176.870 0.151 0.000 1.022 225 L CA -0.379 54.536 54.840 0.125 0.000 0.854 225 L CB 0.824 42.929 42.059 0.078 0.000 1.226 225 L HN 0.397 nan 8.230 nan 0.000 0.429 226 Y N 5.999 126.341 120.300 0.070 0.000 2.454 226 Y HA 0.536 5.086 4.550 -0.000 0.000 0.345 226 Y C -0.170 175.730 175.900 0.000 0.000 0.970 226 Y CA -0.467 57.664 58.100 0.052 0.000 1.204 226 Y CB 0.706 39.209 38.460 0.071 0.000 1.122 226 Y HN 0.532 nan 8.280 nan 0.000 0.514 227 M N 4.295 123.756 119.600 -0.232 0.000 2.409 227 M HA 0.393 4.873 4.480 -0.000 0.000 0.329 227 M C -0.088 175.864 176.300 -0.581 0.000 1.180 227 M CA -0.434 54.699 55.300 -0.278 0.000 1.053 227 M CB 1.689 34.153 32.600 -0.227 0.000 1.586 227 M HN 0.654 nan 8.290 nan 0.000 0.461 228 T N -0.739 113.580 114.554 -0.391 0.000 2.912 228 T HA 0.453 4.803 4.350 -0.000 0.000 0.299 228 T C -0.287 174.327 174.700 -0.143 0.000 1.052 228 T CA -1.046 60.864 62.100 -0.317 0.000 0.996 228 T CB 2.206 71.038 68.868 -0.060 0.000 1.070 228 T HN 0.658 nan 8.240 nan 0.000 0.465 229 R N 2.216 122.720 120.500 0.006 0.000 2.480 229 R HA 0.196 4.535 4.340 -0.000 0.000 0.303 229 R C -0.528 175.847 176.300 0.126 0.000 0.985 229 R CA -0.063 56.132 56.100 0.158 0.000 1.051 229 R CB 0.121 30.534 30.300 0.189 0.000 0.935 229 R HN 0.639 nan 8.270 nan 0.000 0.410 230 V N 6.329 126.343 119.914 0.167 0.000 2.427 230 V HA 0.010 4.130 4.120 -0.000 0.000 0.268 230 V C 0.677 176.903 176.094 0.219 0.000 1.046 230 V CA -0.019 62.401 62.300 0.201 0.000 0.970 230 V CB 1.162 33.139 31.823 0.257 0.000 1.001 230 V HN 0.622 nan 8.190 nan 0.000 0.476 231 Q N 4.053 123.948 119.800 0.159 0.000 2.297 231 Q HA 0.081 4.421 4.340 -0.000 0.000 0.267 231 Q C 1.079 177.124 176.000 0.075 0.000 1.006 231 Q CA 0.174 56.034 55.803 0.094 0.000 0.896 231 Q CB 1.106 29.881 28.738 0.062 0.000 1.186 231 Q HN 0.671 nan 8.270 nan 0.000 0.392 232 K N 3.280 123.642 120.400 -0.065 0.000 2.116 232 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 232 K C 1.355 177.877 176.600 -0.131 0.000 1.052 232 K CA 0.824 56.954 56.287 -0.262 0.000 0.952 232 K CB 0.405 32.497 32.500 -0.681 0.000 0.729 232 K HN 0.548 nan 8.250 nan 0.000 0.446 233 E N 0.837 120.981 120.200 -0.092 0.000 2.160 233 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 233 E C 1.749 178.329 176.600 -0.034 0.000 0.991 233 E CA 1.129 57.493 56.400 -0.061 0.000 0.810 233 E CB -0.398 29.268 29.700 -0.056 0.000 0.742 233 E HN 0.263 nan 8.360 nan 0.000 0.466 234 R N 0.049 120.540 120.500 -0.014 0.000 2.241 234 R HA 0.115 4.455 4.340 -0.000 0.000 0.224 234 R C 1.062 177.409 176.300 0.078 0.000 1.101 234 R CA 0.523 56.631 56.100 0.014 0.000 0.995 234 R CB 0.071 30.416 30.300 0.075 0.000 0.870 234 R HN 0.168 nan 8.270 nan 0.000 0.463 235 L N -1.163 120.105 121.223 0.076 0.000 2.211 235 L HA 0.293 4.633 4.340 -0.000 0.000 0.259 235 L C -0.434 176.475 176.870 0.065 0.000 1.031 235 L CA -0.964 53.940 54.840 0.107 0.000 0.877 235 L CB 1.451 43.630 42.059 0.199 0.000 1.457 235 L HN -0.027 nan 8.230 nan 0.000 0.466 236 D N 1.281 121.733 120.400 0.087 0.000 2.274 236 D HA 0.177 4.817 4.640 -0.000 0.000 0.239 236 D C -1.773 174.589 176.300 0.103 0.000 1.104 236 D CA -1.610 52.434 54.000 0.073 0.000 0.840 236 D CB 2.218 43.061 40.800 0.071 0.000 1.100 236 D HN 0.194 nan 8.370 nan 0.000 0.477 237 P HA -0.128 nan 4.420 nan 0.000 0.220 237 P C 1.106 178.491 177.300 0.142 0.000 1.144 237 P CA 0.763 63.908 63.100 0.075 0.000 0.800 237 P CB 0.558 32.272 31.700 0.023 0.000 0.772 238 S N 0.074 115.840 115.700 0.109 0.000 2.325 238 S HA -0.107 4.363 4.470 -0.000 0.000 0.214 238 S C 1.993 176.660 174.600 0.112 0.000 1.031 238 S CA 0.666 58.924 58.200 0.096 0.000 0.972 238 S CB -0.928 62.311 63.200 0.066 0.000 0.908 238 S HN 0.224 nan 8.310 nan 0.000 0.453 239 E N 0.065 120.332 120.200 0.112 0.000 2.147 239 E HA -0.237 4.112 4.350 -0.000 0.000 0.199 239 E C 1.781 178.471 176.600 0.150 0.000 1.005 239 E CA 1.240 57.708 56.400 0.114 0.000 0.810 239 E CB -0.195 29.570 29.700 0.109 0.000 0.736 239 E HN 0.626 nan 8.360 nan 0.000 0.460 240 Y N 0.550 120.884 120.300 0.056 0.000 2.036 240 Y HA -0.247 4.303 4.550 -0.000 0.000 0.273 240 Y C 2.213 178.151 175.900 0.064 0.000 1.135 240 Y CA 2.209 60.348 58.100 0.065 0.000 1.106 240 Y CB -0.520 37.974 38.460 0.056 0.000 0.976 240 Y HN 0.054 nan 8.280 nan 0.000 0.483 241 A N 0.219 123.129 122.820 0.150 0.000 2.178 241 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 241 A C 1.915 179.492 177.584 -0.011 0.000 1.157 241 A CA 1.571 53.629 52.037 0.034 0.000 0.689 241 A CB -0.784 18.285 19.000 0.116 0.000 0.787 241 A HN 0.638 nan 8.150 nan 0.000 0.465 242 N N -0.313 118.394 118.700 0.013 0.000 2.409 242 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 242 N C 1.203 176.701 175.510 -0.019 0.000 1.032 242 N CA 1.754 54.809 53.050 0.007 0.000 0.898 242 N CB 0.293 38.799 38.487 0.031 0.000 0.971 242 N HN 0.357 nan 8.380 nan 0.000 0.441 243 V N -0.960 118.934 119.914 -0.034 0.000 3.548 243 V HA 0.114 4.234 4.120 -0.000 0.000 0.279 243 V C 2.028 178.072 176.094 -0.083 0.000 1.446 243 V CA -0.247 62.036 62.300 -0.029 0.000 1.023 243 V CB 0.265 32.143 31.823 0.093 0.000 0.820 243 V HN 0.054 nan 8.190 nan 0.000 0.438 244 K N 2.679 122.971 120.400 -0.181 0.000 2.030 244 K HA -0.322 3.998 4.320 -0.000 0.000 0.222 244 K C 2.090 178.600 176.600 -0.151 0.000 1.056 244 K CA 2.694 58.818 56.287 -0.273 0.000 0.957 244 K CB -0.571 31.668 32.500 -0.436 0.000 0.727 244 K HN 0.452 nan 8.250 nan 0.000 0.452 245 A N 0.879 123.616 122.820 -0.138 0.000 2.042 245 A HA -0.268 4.052 4.320 -0.000 0.000 0.222 245 A C 2.087 179.556 177.584 -0.192 0.000 1.167 245 A CA 2.112 54.076 52.037 -0.121 0.000 0.649 245 A CB -0.602 18.341 19.000 -0.095 0.000 0.809 245 A HN 0.675 nan 8.150 nan 0.000 0.457 246 Q N -2.194 117.404 119.800 -0.337 0.000 2.172 246 Q HA -0.015 4.325 4.340 -0.000 0.000 0.200 246 Q C -0.183 175.335 176.000 -0.802 0.000 0.964 246 Q CA 0.980 56.380 55.803 -0.672 0.000 0.855 246 Q CB 0.080 28.173 28.738 -1.075 0.000 0.918 246 Q HN 0.697 nan 8.270 nan 0.000 0.444 247 F N -0.477 119.458 119.950 -0.023 0.000 2.879 247 F HA 0.317 4.844 4.527 -0.000 0.000 0.354 247 F C -0.753 175.041 175.800 -0.009 0.000 1.291 247 F CA -0.582 57.414 58.000 -0.007 0.000 1.238 247 F CB 0.825 39.824 39.000 -0.002 0.000 1.005 247 F HN -0.287 nan 8.300 nan 0.000 0.508 248 V N 2.189 122.143 119.914 0.067 0.000 2.417 248 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 248 V C -0.573 175.547 176.094 0.044 0.000 1.024 248 V CA -0.846 61.484 62.300 0.051 0.000 0.861 248 V CB 2.261 34.094 31.823 0.017 0.000 0.985 248 V HN 0.122 nan 8.190 nan 0.000 0.436 249 L N 6.250 127.506 121.223 0.055 0.000 2.272 249 L HA 0.627 4.967 4.340 -0.000 0.000 0.289 249 L C -0.100 176.801 176.870 0.052 0.000 1.032 249 L CA 0.173 55.045 54.840 0.053 0.000 0.810 249 L CB 0.997 43.094 42.059 0.062 0.000 1.205 249 L HN 0.728 nan 8.230 nan 0.000 0.422 250 R N 3.417 123.947 120.500 0.050 0.000 2.787 250 R HA 0.713 5.053 4.340 -0.000 0.000 0.271 250 R C 0.870 177.211 176.300 0.068 0.000 0.993 250 R CA 0.186 56.319 56.100 0.055 0.000 0.993 250 R CB 1.754 32.079 30.300 0.042 0.000 1.155 250 R HN 0.767 nan 8.270 nan 0.000 0.486 251 A N 1.284 124.151 122.820 0.078 0.000 1.908 251 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 251 A C 1.780 179.420 177.584 0.094 0.000 1.181 251 A CA 2.117 54.209 52.037 0.092 0.000 0.627 251 A CB -0.922 18.134 19.000 0.093 0.000 0.818 251 A HN 0.842 nan 8.150 nan 0.000 0.445 252 S N -0.436 115.317 115.700 0.089 0.000 2.584 252 S HA -0.103 4.367 4.470 -0.000 0.000 0.240 252 S C 0.744 175.457 174.600 0.187 0.000 0.975 252 S CA 1.207 59.475 58.200 0.113 0.000 0.949 252 S CB -0.392 62.847 63.200 0.064 0.000 0.761 252 S HN 0.524 nan 8.310 nan 0.000 0.536 253 D N 1.192 121.667 120.400 0.125 0.000 2.354 253 D HA 0.195 4.835 4.640 -0.000 0.000 0.209 253 D C 1.289 177.563 176.300 -0.042 0.000 1.015 253 D CA 0.355 54.414 54.000 0.098 0.000 0.867 253 D CB 0.080 40.902 40.800 0.037 0.000 0.933 253 D HN 0.464 nan 8.370 nan 0.000 0.520 254 L N 0.542 121.738 121.223 -0.046 0.000 2.592 254 L HA 0.072 4.412 4.340 -0.000 0.000 0.227 254 L C 1.830 178.560 176.870 -0.234 0.000 1.127 254 L CA 0.042 54.764 54.840 -0.197 0.000 0.884 254 L CB -0.505 41.461 42.059 -0.156 0.000 1.065 254 L HN 0.085 nan 8.230 nan 0.000 0.457 255 H N -0.366 118.694 119.070 -0.016 0.000 2.422 255 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 255 H C 1.753 177.083 175.328 0.004 0.000 1.098 255 H CA 1.558 57.612 56.048 0.009 0.000 1.315 255 H CB -0.483 29.283 29.762 0.007 0.000 1.382 255 H HN 0.406 nan 8.280 nan 0.000 0.523 256 N N 1.284 119.625 118.700 -0.598 0.000 2.280 256 N HA 0.155 4.895 4.740 -0.000 0.000 0.192 256 N C 0.231 175.613 175.510 -0.215 0.000 1.109 256 N CA 0.392 53.267 53.050 -0.292 0.000 0.855 256 N CB 0.023 38.309 38.487 -0.336 0.000 0.974 256 N HN 0.509 nan 8.380 nan 0.000 0.482 257 A N 1.613 124.281 122.820 -0.253 0.000 2.477 257 A HA 0.163 4.482 4.320 -0.000 0.000 0.246 257 A C 0.537 178.078 177.584 -0.072 0.000 1.078 257 A CA -0.459 51.438 52.037 -0.234 0.000 0.770 257 A CB 0.347 19.040 19.000 -0.512 0.000 1.011 257 A HN 0.266 nan 8.150 nan 0.000 0.494 258 K N 1.861 122.235 120.400 -0.044 0.000 2.397 258 K HA 0.185 4.505 4.320 -0.000 0.000 0.265 258 K C 1.336 178.006 176.600 0.117 0.000 0.982 258 K CA 0.352 56.648 56.287 0.015 0.000 0.931 258 K CB 0.268 32.761 32.500 -0.012 0.000 0.943 258 K HN 0.693 nan 8.250 nan 0.000 0.501 259 A N 2.585 125.443 122.820 0.063 0.000 1.940 259 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 259 A C 1.763 179.337 177.584 -0.017 0.000 1.176 259 A CA 1.875 53.929 52.037 0.029 0.000 0.631 259 A CB -0.664 18.321 19.000 -0.024 0.000 0.814 259 A HN 0.942 nan 8.150 nan 0.000 0.446 260 N N -0.836 117.843 118.700 -0.034 0.000 2.494 260 N HA -0.041 4.699 4.740 -0.000 0.000 0.182 260 N C 0.799 176.275 175.510 -0.056 0.000 1.076 260 N CA 0.222 53.219 53.050 -0.088 0.000 0.908 260 N CB -0.336 38.087 38.487 -0.105 0.000 0.967 260 N HN 0.420 nan 8.380 nan 0.000 0.449 261 M N 1.861 121.498 119.600 0.062 0.000 2.284 261 M HA 0.024 4.504 4.480 -0.000 0.000 0.351 261 M C -0.689 175.689 176.300 0.130 0.000 1.443 261 M CA 0.623 55.969 55.300 0.076 0.000 1.031 261 M CB 0.368 32.973 32.600 0.008 0.000 1.893 261 M HN -0.090 nan 8.290 nan 0.000 0.456 262 K N 4.417 124.831 120.400 0.023 0.000 2.270 262 K HA 0.498 4.818 4.320 -0.000 0.000 0.255 262 K C -1.267 175.399 176.600 0.110 0.000 0.936 262 K CA -0.670 55.641 56.287 0.040 0.000 0.809 262 K CB 2.008 34.448 32.500 -0.100 0.000 1.131 262 K HN 0.521 nan 8.250 nan 0.000 0.427 263 V N 4.788 124.813 119.914 0.185 0.000 2.385 263 V HA 0.355 4.475 4.120 -0.000 0.000 0.269 263 V C 0.321 176.580 176.094 0.275 0.000 1.043 263 V CA -0.657 61.771 62.300 0.213 0.000 0.906 263 V CB 0.501 32.488 31.823 0.273 0.000 0.995 263 V HN 0.467 nan 8.190 nan 0.000 0.467 264 L N 4.604 125.918 121.223 0.151 0.000 2.330 264 L HA 0.732 5.072 4.340 -0.000 0.000 0.271 264 L C -0.542 176.220 176.870 -0.180 0.000 1.013 264 L CA -0.716 54.154 54.840 0.051 0.000 0.816 264 L CB 1.971 44.017 42.059 -0.021 0.000 1.287 264 L HN 0.608 nan 8.230 nan 0.000 0.435 265 H N 2.529 121.412 119.070 -0.311 0.000 3.137 265 H HA 0.197 4.753 4.556 -0.000 0.000 0.336 265 H C -2.493 172.685 175.328 -0.251 0.000 1.055 265 H CA -1.156 54.657 56.048 -0.391 0.000 1.349 265 H CB 2.948 32.475 29.762 -0.392 0.000 1.939 265 H HN 0.241 nan 8.280 nan 0.000 0.487 266 P HA 0.014 nan 4.420 nan 0.000 0.217 266 P C 0.161 177.561 177.300 0.166 0.000 1.154 266 P CA 0.720 63.895 63.100 0.124 0.000 0.841 266 P CB 1.612 33.422 31.700 0.184 0.000 0.788 267 L N -1.412 119.940 121.223 0.215 0.000 2.251 267 L HA 0.490 4.829 4.340 -0.000 0.000 0.244 267 L C -2.423 174.456 176.870 0.016 0.000 1.095 267 L CA -2.712 52.218 54.840 0.150 0.000 0.910 267 L CB 1.668 43.841 42.059 0.190 0.000 1.516 267 L HN -0.288 nan 8.230 nan 0.000 0.429 268 P HA 0.095 nan 4.420 nan 0.000 0.267 268 P C -1.358 175.843 177.300 -0.164 0.000 1.205 268 P CA -0.168 62.899 63.100 -0.054 0.000 0.765 268 P CB 0.487 32.188 31.700 0.001 0.000 0.828 269 R N 1.471 121.742 120.500 -0.382 0.000 2.532 269 R HA 0.735 5.075 4.340 -0.000 0.000 0.272 269 R C -1.077 175.137 176.300 -0.143 0.000 1.032 269 R CA -0.982 54.842 56.100 -0.461 0.000 1.089 269 R CB 1.109 30.981 30.300 -0.713 0.000 1.098 269 R HN 0.274 nan 8.270 nan 0.000 0.526 270 V N 2.623 122.519 119.914 -0.030 0.000 2.719 270 V HA 0.146 4.266 4.120 -0.000 0.000 0.289 270 V C -0.812 175.324 176.094 0.069 0.000 1.167 270 V CA -0.311 62.006 62.300 0.028 0.000 0.929 270 V CB 1.329 33.183 31.823 0.052 0.000 1.050 270 V HN 1.072 nan 8.190 nan 0.000 0.448 271 D N 2.977 123.408 120.400 0.053 0.000 2.601 271 D HA -0.262 4.378 4.640 -0.000 0.000 0.180 271 D C 1.334 177.670 176.300 0.060 0.000 1.213 271 D CA 2.103 56.141 54.000 0.064 0.000 1.112 271 D CB -0.240 40.615 40.800 0.093 0.000 1.132 271 D HN 1.019 nan 8.370 nan 0.000 0.418 272 E N 0.935 121.183 120.200 0.079 0.000 2.204 272 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 272 E C 1.264 177.900 176.600 0.060 0.000 0.989 272 E CA 0.805 57.259 56.400 0.090 0.000 0.824 272 E CB 0.244 30.032 29.700 0.146 0.000 0.756 272 E HN 0.424 nan 8.360 nan 0.000 0.477 273 I N 1.562 122.138 120.570 0.010 0.000 2.468 273 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 273 I C -0.257 175.857 176.117 -0.005 0.000 1.038 273 I CA -0.942 60.345 61.300 -0.021 0.000 1.083 273 I CB 1.779 39.680 38.000 -0.164 0.000 1.223 273 I HN -0.005 nan 8.210 nan 0.000 0.443 274 A N 3.741 126.584 122.820 0.037 0.000 2.386 274 A HA 0.303 4.623 4.320 -0.000 0.000 0.248 274 A C 1.454 179.085 177.584 0.077 0.000 1.082 274 A CA 0.108 52.175 52.037 0.050 0.000 0.789 274 A CB 0.245 19.277 19.000 0.053 0.000 1.025 274 A HN 0.858 nan 8.150 nan 0.000 0.490 275 T N -0.867 113.735 114.554 0.079 0.000 2.929 275 T HA -0.175 4.175 4.350 -0.000 0.000 0.271 275 T C 0.963 175.734 174.700 0.118 0.000 1.085 275 T CA 1.581 63.746 62.100 0.108 0.000 1.125 275 T CB -0.488 68.432 68.868 0.087 0.000 0.874 275 T HN 0.799 nan 8.240 nan 0.000 0.494 276 D N 1.530 121.988 120.400 0.097 0.000 2.224 276 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 276 D C 1.887 178.255 176.300 0.114 0.000 0.965 276 D CA 0.302 54.357 54.000 0.092 0.000 0.852 276 D CB -0.892 39.951 40.800 0.073 0.000 0.947 276 D HN 0.399 nan 8.370 nan 0.000 0.494 277 V N 1.162 121.158 119.914 0.137 0.000 2.867 277 V HA -0.183 3.937 4.120 -0.000 0.000 0.260 277 V C 1.451 177.666 176.094 0.202 0.000 1.099 277 V CA 1.789 64.193 62.300 0.174 0.000 1.122 277 V CB -0.531 31.410 31.823 0.197 0.000 0.708 277 V HN 0.086 nan 8.190 nan 0.000 0.490 278 D N 0.181 120.705 120.400 0.205 0.000 2.149 278 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 278 D C 2.034 178.397 176.300 0.105 0.000 0.972 278 D CA 0.836 54.947 54.000 0.184 0.000 0.835 278 D CB -0.200 40.746 40.800 0.243 0.000 0.966 278 D HN 0.376 nan 8.370 nan 0.000 0.476 279 K N 0.768 121.227 120.400 0.099 0.000 2.525 279 K HA 0.013 4.333 4.320 -0.000 0.000 0.192 279 K C 0.967 177.608 176.600 0.067 0.000 1.029 279 K CA 0.261 56.590 56.287 0.071 0.000 1.029 279 K CB -0.156 32.383 32.500 0.064 0.000 0.814 279 K HN 0.274 nan 8.250 nan 0.000 0.503 280 T N -1.016 113.590 114.554 0.086 0.000 2.943 280 T HA 0.270 4.620 4.350 -0.000 0.000 0.284 280 T C -1.835 172.901 174.700 0.060 0.000 1.015 280 T CA -1.818 60.335 62.100 0.088 0.000 1.042 280 T CB 1.973 70.940 68.868 0.165 0.000 1.055 280 T HN -0.184 nan 8.240 nan 0.000 0.500 281 P HA 0.038 nan 4.420 nan 0.000 0.241 281 P C 0.903 178.165 177.300 -0.065 0.000 1.191 281 P CA 0.643 63.721 63.100 -0.038 0.000 0.771 281 P CB -0.032 31.573 31.700 -0.159 0.000 0.929 282 H N 0.201 119.317 119.070 0.077 0.000 2.535 282 H HA 0.229 4.785 4.556 -0.000 0.000 0.273 282 H C 0.886 176.288 175.328 0.124 0.000 0.983 282 H CA 0.173 56.257 56.048 0.059 0.000 1.238 282 H CB -0.057 29.728 29.762 0.038 0.000 1.412 282 H HN 0.100 nan 8.280 nan 0.000 0.562 283 A N 1.018 123.958 122.820 0.199 0.000 2.484 283 A HA -0.018 4.302 4.320 -0.000 0.000 0.268 283 A C 0.234 177.793 177.584 -0.042 0.000 1.114 283 A CA 0.007 52.014 52.037 -0.050 0.000 0.780 283 A CB -0.429 18.434 19.000 -0.227 0.000 1.061 283 A HN 0.672 nan 8.150 nan 0.000 0.505 284 W N 3.822 124.877 121.300 -0.408 0.000 2.007 284 W HA 0.105 4.764 4.660 -0.000 0.000 0.301 284 W C -0.061 176.334 176.519 -0.207 0.000 0.887 284 W CA -0.091 57.108 57.345 -0.243 0.000 1.625 284 W CB 0.345 29.754 29.460 -0.084 0.000 1.078 284 W HN 1.072 nan 8.180 nan 0.000 0.502 285 Y N -2.247 117.984 120.300 -0.114 0.000 2.395 285 Y HA 0.049 4.599 4.550 -0.000 0.000 0.293 285 Y C 1.772 177.472 175.900 -0.333 0.000 1.123 285 Y CA 0.916 58.870 58.100 -0.245 0.000 1.227 285 Y CB -1.396 36.842 38.460 -0.370 0.000 1.012 285 Y HN -0.187 nan 8.280 nan 0.000 0.552 286 F N 0.670 120.522 119.950 -0.162 0.000 2.234 286 F HA -0.098 4.429 4.527 -0.000 0.000 0.296 286 F C 2.246 177.933 175.800 -0.189 0.000 1.089 286 F CA 0.668 58.597 58.000 -0.119 0.000 1.343 286 F CB -0.270 38.639 39.000 -0.152 0.000 1.040 286 F HN -0.016 nan 8.300 nan 0.000 0.498 287 Q N 0.484 120.132 119.800 -0.255 0.000 2.077 287 Q HA -0.296 4.044 4.340 -0.000 0.000 0.206 287 Q C 2.126 178.062 176.000 -0.108 0.000 0.989 287 Q CA 1.925 57.484 55.803 -0.408 0.000 0.853 287 Q CB -0.569 27.384 28.738 -1.309 0.000 0.907 287 Q HN 0.448 nan 8.270 nan 0.000 0.418 288 Q N -0.342 119.435 119.800 -0.038 0.000 2.197 288 Q HA -0.216 4.124 4.340 -0.000 0.000 0.207 288 Q C 1.784 177.859 176.000 0.124 0.000 0.984 288 Q CA 1.480 57.363 55.803 0.133 0.000 0.869 288 Q CB -0.153 28.683 28.738 0.162 0.000 0.906 288 Q HN 0.435 nan 8.270 nan 0.000 0.426 289 A N 0.117 122.993 122.820 0.093 0.000 1.897 289 A HA 0.000 4.320 4.320 -0.000 0.000 0.215 289 A C 2.233 179.845 177.584 0.047 0.000 1.181 289 A CA 1.228 53.317 52.037 0.086 0.000 0.620 289 A CB -0.950 18.126 19.000 0.126 0.000 0.821 289 A HN 0.566 nan 8.150 nan 0.000 0.443 290 G N -0.530 108.302 108.800 0.053 0.000 2.509 290 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 290 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 290 G C 1.266 176.194 174.900 0.048 0.000 1.124 290 G CA 0.876 45.988 45.100 0.021 0.000 0.776 290 G HN 0.679 nan 8.290 nan 0.000 0.547 291 N N 0.165 118.993 118.700 0.213 0.000 2.457 291 N HA -0.012 4.728 4.740 -0.000 0.000 0.180 291 N C 2.254 177.885 175.510 0.200 0.000 1.050 291 N CA 0.304 53.627 53.050 0.455 0.000 0.906 291 N CB 0.042 38.867 38.487 0.563 0.000 0.968 291 N HN 0.316 nan 8.380 nan 0.000 0.445 292 G N 0.823 109.635 108.800 0.020 0.000 2.534 292 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 292 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 292 G C 1.354 176.100 174.900 -0.257 0.000 1.128 292 G CA 0.143 45.185 45.100 -0.097 0.000 0.784 292 G HN 0.165 nan 8.290 nan 0.000 0.542 293 I N 0.373 120.697 120.570 -0.410 0.000 2.353 293 I HA 0.019 4.189 4.170 -0.000 0.000 0.248 293 I C 2.162 177.899 176.117 -0.634 0.000 1.119 293 I CA 0.780 61.723 61.300 -0.595 0.000 1.417 293 I CB -0.951 36.570 38.000 -0.798 0.000 1.078 293 I HN 0.146 nan 8.210 nan 0.000 0.421 294 F N 0.919 120.805 119.950 -0.107 0.000 2.387 294 F HA 0.164 4.690 4.527 -0.000 0.000 0.294 294 F C 2.586 178.195 175.800 -0.319 0.000 1.093 294 F CA 0.700 58.577 58.000 -0.205 0.000 1.420 294 F CB -1.294 37.558 39.000 -0.247 0.000 1.086 294 F HN -0.063 nan 8.300 nan 0.000 0.531 295 A N 0.734 123.439 122.820 -0.191 0.000 1.908 295 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 295 A C 2.301 179.796 177.584 -0.147 0.000 1.181 295 A CA 1.723 53.642 52.037 -0.197 0.000 0.627 295 A CB -0.675 18.265 19.000 -0.100 0.000 0.818 295 A HN 0.310 nan 8.150 nan 0.000 0.445 296 R N -0.818 119.561 120.500 -0.202 0.000 2.090 296 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 296 R C 2.476 178.723 176.300 -0.088 0.000 1.110 296 R CA 1.400 57.368 56.100 -0.219 0.000 0.973 296 R CB -0.262 29.744 30.300 -0.490 0.000 0.869 296 R HN 0.679 nan 8.270 nan 0.000 0.440 297 Q N -0.087 119.662 119.800 -0.085 0.000 2.170 297 Q HA -0.130 4.209 4.340 -0.000 0.000 0.203 297 Q C 2.148 178.152 176.000 0.007 0.000 0.976 297 Q CA 1.471 57.265 55.803 -0.015 0.000 0.858 297 Q CB -0.129 28.611 28.738 0.004 0.000 0.907 297 Q HN 0.355 nan 8.270 nan 0.000 0.433 298 A N 0.805 123.615 122.820 -0.017 0.000 1.908 298 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 298 A C 1.990 179.587 177.584 0.021 0.000 1.181 298 A CA 1.148 53.179 52.037 -0.010 0.000 0.627 298 A CB -0.535 18.433 19.000 -0.055 0.000 0.818 298 A HN 0.243 nan 8.150 nan 0.000 0.445 299 L N -0.233 121.007 121.223 0.029 0.000 1.989 299 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 299 L C 2.577 179.495 176.870 0.079 0.000 1.071 299 L CA 1.604 56.484 54.840 0.066 0.000 0.749 299 L CB -1.014 41.107 42.059 0.103 0.000 0.890 299 L HN 0.403 nan 8.230 nan 0.000 0.431 300 L N -1.370 119.906 121.223 0.089 0.000 2.012 300 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 300 L C 2.629 179.543 176.870 0.072 0.000 1.073 300 L CA 1.359 56.252 54.840 0.088 0.000 0.748 300 L CB -0.892 41.223 42.059 0.093 0.000 0.891 300 L HN 0.307 nan 8.230 nan 0.000 0.431 301 A N 0.307 123.164 122.820 0.061 0.000 1.865 301 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 301 A C 2.244 179.872 177.584 0.075 0.000 1.191 301 A CA 1.635 53.707 52.037 0.058 0.000 0.623 301 A CB -0.842 18.184 19.000 0.042 0.000 0.826 301 A HN 0.342 nan 8.150 nan 0.000 0.444 302 L N -0.833 120.433 121.223 0.072 0.000 2.046 302 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 302 L C 2.476 179.429 176.870 0.138 0.000 1.077 302 L CA 1.047 55.941 54.840 0.090 0.000 0.747 302 L CB -0.372 41.729 42.059 0.070 0.000 0.896 302 L HN 0.258 nan 8.230 nan 0.000 0.432 303 V N -0.514 119.462 119.914 0.104 0.000 2.719 303 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 303 V C 1.915 178.060 176.094 0.085 0.000 1.065 303 V CA 1.249 63.588 62.300 0.065 0.000 1.086 303 V CB 0.144 31.977 31.823 0.017 0.000 0.700 303 V HN 0.350 nan 8.190 nan 0.000 0.467 304 L N -0.998 120.310 121.223 0.143 0.000 2.638 304 L HA 0.277 4.617 4.340 -0.000 0.000 0.232 304 L C 0.305 177.346 176.870 0.285 0.000 1.099 304 L CA 0.201 55.137 54.840 0.160 0.000 0.883 304 L CB 0.188 42.303 42.059 0.093 0.000 1.136 304 L HN 0.274 nan 8.230 nan 0.000 0.492 305 N N -0.060 118.797 118.700 0.261 0.000 2.564 305 N HA 0.160 4.900 4.740 -0.000 0.000 0.248 305 N C 0.879 176.363 175.510 -0.043 0.000 0.986 305 N CA -0.253 52.865 53.050 0.114 0.000 0.921 305 N CB 1.222 39.744 38.487 0.058 0.000 1.136 305 N HN -0.043 nan 8.380 nan 0.000 0.509 306 R N 1.892 122.112 120.500 -0.467 0.000 2.112 306 R HA -0.100 4.240 4.340 -0.000 0.000 0.242 306 R C -0.504 175.556 176.300 -0.401 0.000 1.137 306 R CA 1.644 57.124 56.100 -1.033 0.000 0.944 306 R CB 0.077 29.796 30.300 -0.967 0.000 0.857 306 R HN 0.424 nan 8.270 nan 0.000 0.435 307 D N -0.271 119.992 120.400 -0.228 0.000 2.502 307 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 307 D C -1.408 174.854 176.300 -0.064 0.000 1.092 307 D CA -0.474 53.454 54.000 -0.120 0.000 0.839 307 D CB 1.655 42.394 40.800 -0.101 0.000 1.264 307 D HN -0.018 nan 8.370 nan 0.000 0.511 308 L N 2.953 124.155 121.223 -0.035 0.000 2.296 308 L HA 0.367 4.707 4.340 -0.000 0.000 0.286 308 L C 0.356 177.221 176.870 -0.009 0.000 1.023 308 L CA -0.738 54.094 54.840 -0.012 0.000 0.812 308 L CB 1.596 43.657 42.059 0.004 0.000 1.223 308 L HN 0.216 nan 8.230 nan 0.000 0.421 309 V N 3.617 123.528 119.914 -0.006 0.000 2.776 309 V HA 0.232 4.351 4.120 -0.000 0.000 0.332 309 V C 0.757 176.852 176.094 0.002 0.000 1.201 309 V CA -0.663 61.635 62.300 -0.004 0.000 1.401 309 V CB 0.122 31.941 31.823 -0.007 0.000 1.552 309 V HN 0.404 nan 8.190 nan 0.000 0.605 310 L N 0.000 121.226 121.223 0.006 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.845 54.840 0.009 0.000 0.813 310 L CB 0.000 42.067 42.059 0.013 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502