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 2hse_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE 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 QKERLAPSEY 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 0.000 177.547 177.584 -0.061 0.000 1.274 1 A CA 0.000 51.894 52.037 -0.239 0.000 0.836 1 A CB 0.000 18.903 19.000 -0.161 0.000 0.831 2 N N 2.469 121.164 118.700 -0.009 0.000 2.354 2 N HA 0.491 5.231 4.740 -0.000 0.000 0.246 2 N C -1.791 173.768 175.510 0.082 0.000 1.285 2 N CA -1.048 52.029 53.050 0.045 0.000 0.925 2 N CB 0.304 38.832 38.487 0.068 0.000 1.174 2 N HN 0.162 nan 8.380 nan 0.000 0.478 3 P HA -0.088 nan 4.420 nan 0.000 0.221 3 P C 0.540 177.887 177.300 0.078 0.000 1.145 3 P CA 1.164 64.302 63.100 0.064 0.000 0.795 3 P CB 0.151 31.880 31.700 0.048 0.000 0.775 4 L N -3.920 117.361 121.223 0.097 0.000 2.640 4 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 4 L C 0.818 177.747 176.870 0.098 0.000 1.123 4 L CA -0.607 54.285 54.840 0.087 0.000 0.900 4 L CB -0.400 41.709 42.059 0.084 0.000 1.146 4 L HN -0.055 nan 8.230 nan 0.000 0.484 5 Y N 2.632 122.937 120.300 0.007 0.000 2.721 5 Y HA -0.145 4.405 4.550 -0.000 0.000 0.329 5 Y C 0.916 176.802 175.900 -0.024 0.000 1.211 5 Y CA 0.135 58.235 58.100 -0.001 0.000 1.512 5 Y CB 0.296 38.758 38.460 0.002 0.000 1.249 5 Y HN 0.183 nan 8.280 nan 0.000 0.549 6 Q N 2.200 121.626 119.800 -0.623 0.000 2.480 6 Q HA -0.278 4.062 4.340 -0.000 0.000 0.265 6 Q C -0.592 175.215 176.000 -0.322 0.000 1.072 6 Q CA 1.018 56.512 55.803 -0.515 0.000 1.018 6 Q CB -1.014 27.381 28.738 -0.571 0.000 1.433 6 Q HN 0.627 nan 8.270 nan 0.000 0.513 7 K N 0.581 120.852 120.400 -0.216 0.000 2.087 7 K HA 0.350 4.670 4.320 -0.000 0.000 0.255 7 K C 0.108 176.601 176.600 -0.179 0.000 0.988 7 K CA -0.549 55.632 56.287 -0.177 0.000 0.915 7 K CB 0.690 33.164 32.500 -0.044 0.000 1.043 7 K HN 0.113 nan 8.250 nan 0.000 0.457 8 H N 1.982 121.044 119.070 -0.013 0.000 2.502 8 H HA 0.257 4.813 4.556 -0.000 0.000 0.327 8 H C -0.076 175.260 175.328 0.014 0.000 1.099 8 H CA -0.313 55.731 56.048 -0.007 0.000 1.323 8 H CB 0.884 30.639 29.762 -0.012 0.000 1.450 8 H HN 0.194 nan 8.280 nan 0.000 0.502 9 I N 5.627 126.290 120.570 0.155 0.000 2.503 9 I HA 0.051 4.221 4.170 -0.000 0.000 0.277 9 I C 1.227 177.409 176.117 0.109 0.000 1.078 9 I CA 0.010 61.383 61.300 0.122 0.000 1.184 9 I CB 0.140 38.217 38.000 0.129 0.000 1.353 9 I HN 0.619 nan 8.210 nan 0.000 0.490 10 I N 1.605 122.226 120.570 0.085 0.000 4.471 10 I HA 0.357 4.527 4.170 -0.000 0.000 0.326 10 I C 0.254 176.403 176.117 0.054 0.000 1.300 10 I CA 0.319 61.650 61.300 0.053 0.000 1.237 10 I CB 0.919 38.921 38.000 0.003 0.000 1.195 10 I HN 0.294 nan 8.210 nan 0.000 0.427 11 S N 0.425 116.160 115.700 0.058 0.000 2.626 11 S HA 0.396 4.866 4.470 -0.000 0.000 0.275 11 S C 0.640 175.276 174.600 0.060 0.000 1.175 11 S CA -0.695 57.538 58.200 0.055 0.000 0.982 11 S CB 0.772 63.986 63.200 0.023 0.000 1.093 11 S HN 0.164 nan 8.310 nan 0.000 0.472 12 I N 4.085 124.701 120.570 0.076 0.000 2.300 12 I HA -0.153 4.017 4.170 -0.000 0.000 0.252 12 I C 2.222 178.371 176.117 0.053 0.000 1.119 12 I CA 1.469 62.813 61.300 0.073 0.000 1.384 12 I CB -1.330 36.720 38.000 0.084 0.000 1.062 12 I HN 0.720 nan 8.210 nan 0.000 0.426 13 N N 1.029 119.753 118.700 0.040 0.000 2.430 13 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 13 N C 0.954 176.472 175.510 0.014 0.000 1.032 13 N CA 1.036 54.099 53.050 0.021 0.000 0.893 13 N CB -0.065 38.423 38.487 0.002 0.000 0.957 13 N HN 0.314 nan 8.380 nan 0.000 0.442 14 D N -0.781 119.632 120.400 0.022 0.000 2.349 14 D HA 0.119 4.759 4.640 -0.000 0.000 0.214 14 D C 0.046 176.362 176.300 0.027 0.000 1.063 14 D CA 0.122 54.134 54.000 0.021 0.000 0.847 14 D CB 0.533 41.350 40.800 0.027 0.000 0.933 14 D HN 0.278 nan 8.370 nan 0.000 0.513 15 L N 0.487 121.730 121.223 0.033 0.000 2.334 15 L HA 0.411 4.751 4.340 -0.000 0.000 0.270 15 L C 0.640 177.519 176.870 0.014 0.000 1.018 15 L CA -0.745 54.115 54.840 0.034 0.000 0.811 15 L CB 1.764 43.856 42.059 0.055 0.000 1.271 15 L HN -0.144 nan 8.230 nan 0.000 0.443 16 S N 0.275 115.977 115.700 0.004 0.000 2.621 16 S HA 0.384 4.853 4.470 -0.000 0.000 0.302 16 S C 0.781 175.345 174.600 -0.061 0.000 1.093 16 S CA -0.833 57.348 58.200 -0.031 0.000 1.017 16 S CB 2.185 65.369 63.200 -0.027 0.000 1.077 16 S HN 0.675 nan 8.310 nan 0.000 0.517 17 R N 0.591 120.999 120.500 -0.152 0.000 2.133 17 R HA -0.181 4.159 4.340 -0.000 0.000 0.247 17 R C 0.778 176.997 176.300 -0.135 0.000 1.151 17 R CA 2.363 58.283 56.100 -0.299 0.000 0.971 17 R CB -0.733 29.295 30.300 -0.452 0.000 0.866 17 R HN 0.779 nan 8.270 nan 0.000 0.447 18 D N 0.287 120.644 120.400 -0.071 0.000 2.097 18 D HA -0.141 4.498 4.640 -0.000 0.000 0.197 18 D C 1.502 177.818 176.300 0.027 0.000 0.984 18 D CA 1.017 55.009 54.000 -0.013 0.000 0.826 18 D CB -0.436 40.359 40.800 -0.009 0.000 0.973 18 D HN 0.255 nan 8.370 nan 0.000 0.460 19 D N 1.023 121.440 120.400 0.027 0.000 2.106 19 D HA -0.133 4.507 4.640 -0.000 0.000 0.191 19 D C 2.466 178.816 176.300 0.083 0.000 0.997 19 D CA 0.595 54.627 54.000 0.054 0.000 0.834 19 D CB -0.393 40.437 40.800 0.050 0.000 0.956 19 D HN 0.239 nan 8.370 nan 0.000 0.448 20 L N 0.661 121.941 121.223 0.095 0.000 2.012 20 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 20 L C 2.094 179.068 176.870 0.173 0.000 1.073 20 L CA 1.286 56.217 54.840 0.152 0.000 0.748 20 L CB -0.696 41.490 42.059 0.213 0.000 0.891 20 L HN 0.051 nan 8.230 nan 0.000 0.431 21 N N -0.048 118.751 118.700 0.165 0.000 2.223 21 N HA -0.206 4.534 4.740 -0.000 0.000 0.185 21 N C 1.790 177.376 175.510 0.125 0.000 1.016 21 N CA 0.678 53.826 53.050 0.162 0.000 0.863 21 N CB -0.083 38.486 38.487 0.137 0.000 0.983 21 N HN 0.154 nan 8.380 nan 0.000 0.429 22 L N 0.988 122.274 121.223 0.104 0.000 2.093 22 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 22 L C 1.891 178.828 176.870 0.111 0.000 1.085 22 L CA 1.286 56.182 54.840 0.093 0.000 0.755 22 L CB -0.483 41.623 42.059 0.078 0.000 0.904 22 L HN -0.062 nan 8.230 nan 0.000 0.435 23 V N -0.059 119.930 119.914 0.124 0.000 2.237 23 V HA -0.316 3.804 4.120 -0.000 0.000 0.245 23 V C 2.608 178.804 176.094 0.170 0.000 1.046 23 V CA 2.156 64.536 62.300 0.134 0.000 1.007 23 V CB -0.676 31.227 31.823 0.132 0.000 0.638 23 V HN 0.439 nan 8.190 nan 0.000 0.445 24 L N 0.179 121.529 121.223 0.212 0.000 2.042 24 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 24 L C 2.801 179.818 176.870 0.245 0.000 1.076 24 L CA 1.630 56.655 54.840 0.309 0.000 0.749 24 L CB -1.096 41.119 42.059 0.260 0.000 0.893 24 L HN 0.385 nan 8.230 nan 0.000 0.432 25 A N 0.296 123.211 122.820 0.157 0.000 1.883 25 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 25 A C 2.396 180.053 177.584 0.120 0.000 1.186 25 A CA 2.589 54.694 52.037 0.114 0.000 0.624 25 A CB -1.038 18.015 19.000 0.088 0.000 0.822 25 A HN 0.423 nan 8.150 nan 0.000 0.444 26 T N 0.360 114.988 114.554 0.123 0.000 2.746 26 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 26 T C 2.215 176.989 174.700 0.124 0.000 1.039 26 T CA 1.575 63.740 62.100 0.109 0.000 1.142 26 T CB -0.549 68.381 68.868 0.102 0.000 0.866 26 T HN 0.634 nan 8.240 nan 0.000 0.444 27 A N 1.843 124.763 122.820 0.167 0.000 1.873 27 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 27 A C 2.709 180.399 177.584 0.177 0.000 1.193 27 A CA 2.144 54.279 52.037 0.164 0.000 0.629 27 A CB -1.335 17.753 19.000 0.147 0.000 0.826 27 A HN 0.530 nan 8.150 nan 0.000 0.447 28 A N -0.411 122.571 122.820 0.270 0.000 1.908 28 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 28 A C 2.099 179.709 177.584 0.044 0.000 1.181 28 A CA 1.988 54.110 52.037 0.142 0.000 0.627 28 A CB -0.384 18.670 19.000 0.090 0.000 0.818 28 A HN 0.442 nan 8.150 nan 0.000 0.445 29 K N -0.034 120.402 120.400 0.059 0.000 1.985 29 K HA -0.059 4.261 4.320 -0.000 0.000 0.210 29 K C 1.947 178.566 176.600 0.032 0.000 1.047 29 K CA 1.338 57.649 56.287 0.040 0.000 0.932 29 K CB -0.988 31.542 32.500 0.050 0.000 0.716 29 K HN 0.537 nan 8.250 nan 0.000 0.439 30 L N 1.250 122.503 121.223 0.050 0.000 2.083 30 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 30 L C 2.762 179.656 176.870 0.039 0.000 1.083 30 L CA 1.278 56.156 54.840 0.063 0.000 0.752 30 L CB -0.392 41.726 42.059 0.098 0.000 0.899 30 L HN 0.250 nan 8.230 nan 0.000 0.433 31 K N 0.443 120.809 120.400 -0.057 0.000 2.057 31 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 31 K C 2.104 178.615 176.600 -0.148 0.000 1.049 31 K CA 1.418 57.531 56.287 -0.291 0.000 0.931 31 K CB -0.090 31.940 32.500 -0.784 0.000 0.714 31 K HN 0.239 nan 8.250 nan 0.000 0.440 32 A N 0.641 123.410 122.820 -0.084 0.000 1.897 32 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 32 A C 0.348 177.928 177.584 -0.006 0.000 1.181 32 A CA 1.343 53.356 52.037 -0.040 0.000 0.620 32 A CB -0.209 18.777 19.000 -0.023 0.000 0.821 32 A HN 0.456 nan 8.150 nan 0.000 0.443 33 N N 0.286 118.992 118.700 0.009 0.000 2.746 33 N HA 0.302 5.042 4.740 -0.000 0.000 0.250 33 N C -3.082 172.452 175.510 0.040 0.000 1.146 33 N CA -1.274 51.791 53.050 0.024 0.000 0.828 33 N CB 1.744 40.245 38.487 0.023 0.000 1.158 33 N HN 0.189 nan 8.380 nan 0.000 0.519 34 P HA -0.067 nan 4.420 nan 0.000 0.264 34 P C -0.755 176.578 177.300 0.055 0.000 1.193 34 P CA 0.184 63.324 63.100 0.067 0.000 0.763 34 P CB 0.885 32.630 31.700 0.075 0.000 0.810 35 Q N 4.237 124.072 119.800 0.058 0.000 2.706 35 Q HA 0.230 4.570 4.340 -0.000 0.000 0.250 35 Q C -1.671 174.358 176.000 0.048 0.000 1.120 35 Q CA -1.787 54.045 55.803 0.050 0.000 0.972 35 Q CB 0.724 29.492 28.738 0.051 0.000 1.173 35 Q HN 0.327 nan 8.270 nan 0.000 0.522 36 P HA -0.195 nan 4.420 nan 0.000 0.218 36 P C 0.192 177.509 177.300 0.028 0.000 1.146 36 P CA 1.237 64.360 63.100 0.038 0.000 0.820 36 P CB 0.392 32.111 31.700 0.033 0.000 0.778 37 E N -2.308 117.908 120.200 0.026 0.000 2.583 37 E HA 0.172 4.522 4.350 -0.000 0.000 0.213 37 E C 1.415 178.029 176.600 0.024 0.000 0.989 37 E CA -0.230 56.178 56.400 0.013 0.000 0.991 37 E CB -0.816 28.891 29.700 0.012 0.000 1.040 37 E HN 0.059 nan 8.360 nan 0.000 0.481 38 L N 0.022 121.267 121.223 0.037 0.000 2.089 38 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 38 L C 0.785 177.686 176.870 0.052 0.000 1.079 38 L CA 1.339 56.208 54.840 0.049 0.000 0.758 38 L CB 0.110 42.203 42.059 0.055 0.000 0.891 38 L HN 0.247 nan 8.230 nan 0.000 0.433 39 L N -0.371 120.874 121.223 0.037 0.000 3.141 39 L HA 0.153 4.492 4.340 -0.000 0.000 0.267 39 L C 0.156 177.028 176.870 0.002 0.000 1.281 39 L CA -0.504 54.358 54.840 0.036 0.000 1.037 39 L CB 0.305 42.385 42.059 0.034 0.000 1.407 39 L HN -0.022 nan 8.230 nan 0.000 0.566 40 K N 0.316 120.694 120.400 -0.037 0.000 2.436 40 K HA 0.008 4.328 4.320 -0.000 0.000 0.275 40 K C 0.401 176.890 176.600 -0.185 0.000 0.999 40 K CA 0.699 56.861 56.287 -0.209 0.000 0.980 40 K CB -0.022 32.293 32.500 -0.307 0.000 0.919 40 K HN 0.290 nan 8.250 nan 0.000 0.484 41 H N 0.186 119.276 119.070 0.033 0.000 3.022 41 H HA -0.145 4.411 4.556 -0.000 0.000 0.258 41 H C -0.786 174.559 175.328 0.030 0.000 1.212 41 H CA 0.959 57.025 56.048 0.030 0.000 1.126 41 H CB -0.822 28.958 29.762 0.030 0.000 1.267 41 H HN 0.349 nan 8.280 nan 0.000 0.345 42 K N 1.038 121.480 120.400 0.070 0.000 2.207 42 K HA 0.662 4.982 4.320 -0.000 0.000 0.255 42 K C -0.300 176.319 176.600 0.030 0.000 0.941 42 K CA -0.842 55.477 56.287 0.054 0.000 0.825 42 K CB 2.752 35.274 32.500 0.037 0.000 1.119 42 K HN -0.016 nan 8.250 nan 0.000 0.430 43 V N 4.729 124.662 119.914 0.032 0.000 2.409 43 V HA 0.441 4.561 4.120 -0.000 0.000 0.290 43 V C -0.119 175.979 176.094 0.007 0.000 1.017 43 V CA -0.776 61.537 62.300 0.021 0.000 0.841 43 V CB 1.117 32.965 31.823 0.041 0.000 1.003 43 V HN 0.582 nan 8.190 nan 0.000 0.426 44 I N 3.527 124.082 120.570 -0.024 0.000 2.460 44 I HA 0.746 4.916 4.170 -0.000 0.000 0.298 44 I C 0.572 176.654 176.117 -0.058 0.000 0.989 44 I CA -0.658 60.613 61.300 -0.048 0.000 1.173 44 I CB 1.916 39.866 38.000 -0.084 0.000 1.338 44 I HN 0.621 nan 8.210 nan 0.000 0.456 45 A N 3.823 126.606 122.820 -0.063 0.000 2.301 45 A HA 0.489 4.809 4.320 -0.000 0.000 0.298 45 A C -0.023 177.474 177.584 -0.145 0.000 1.185 45 A CA -0.282 51.703 52.037 -0.086 0.000 0.830 45 A CB 0.814 19.780 19.000 -0.057 0.000 1.112 45 A HN 0.628 nan 8.150 nan 0.000 0.508 46 S N 1.786 117.391 115.700 -0.158 0.000 2.528 46 S HA 0.401 4.871 4.470 -0.000 0.000 0.303 46 S C -0.760 173.717 174.600 -0.205 0.000 1.123 46 S CA -0.503 57.645 58.200 -0.087 0.000 1.138 46 S CB -0.546 62.645 63.200 -0.016 0.000 0.984 46 S HN 0.717 nan 8.310 nan 0.000 0.474 47 C N 6.236 125.365 119.300 -0.285 0.000 2.206 47 C HA 0.522 4.982 4.460 -0.000 0.000 0.324 47 C C -0.559 174.304 174.990 -0.211 0.000 1.120 47 C CA -0.891 57.751 59.018 -0.627 0.000 1.546 47 C CB -1.730 25.749 27.740 -0.436 0.000 2.023 47 C HN 0.789 nan 8.230 nan 0.000 0.448 48 F N 2.695 122.517 119.950 -0.213 0.000 2.332 48 F HA 0.399 4.926 4.527 -0.000 0.000 0.368 48 F C 0.537 176.399 175.800 0.104 0.000 1.110 48 F CA -0.966 57.068 58.000 0.058 0.000 1.087 48 F CB 0.477 39.488 39.000 0.020 0.000 1.235 48 F HN 0.521 nan 8.300 nan 0.000 0.470 49 F N 0.970 121.009 119.950 0.149 0.000 2.692 49 F HA 0.183 4.710 4.527 -0.000 0.000 0.303 49 F C 0.760 176.542 175.800 -0.028 0.000 1.114 49 F CA -0.086 57.943 58.000 0.048 0.000 1.361 49 F CB -0.234 38.667 39.000 -0.165 0.000 1.063 49 F HN 0.398 nan 8.300 nan 0.000 0.550 50 E N -0.187 120.142 120.200 0.215 0.000 2.430 50 E HA 0.665 5.015 4.350 -0.000 0.000 0.279 50 E C -1.081 175.640 176.600 0.200 0.000 1.003 50 E CA -1.075 55.412 56.400 0.144 0.000 0.801 50 E CB 1.664 31.417 29.700 0.089 0.000 1.313 50 E HN -0.076 nan 8.360 nan 0.000 0.459 51 A N 1.254 124.153 122.820 0.133 0.000 2.466 51 A HA 0.502 4.822 4.320 -0.000 0.000 0.238 51 A C -0.146 177.528 177.584 0.150 0.000 1.074 51 A CA 0.623 52.730 52.037 0.117 0.000 0.774 51 A CB 0.604 19.643 19.000 0.065 0.000 1.015 51 A HN 0.438 nan 8.150 nan 0.000 0.498 52 S N -0.090 115.657 115.700 0.079 0.000 2.560 52 S HA 0.511 4.981 4.470 -0.000 0.000 0.283 52 S C 0.181 174.753 174.600 -0.048 0.000 1.141 52 S CA 0.123 58.351 58.200 0.047 0.000 0.902 52 S CB 1.055 64.293 63.200 0.063 0.000 1.104 52 S HN 0.788 nan 8.310 nan 0.000 0.454 53 T N 3.869 118.417 114.554 -0.011 0.000 3.286 53 T HA 0.231 4.581 4.350 -0.000 0.000 0.237 53 T C 1.777 176.462 174.700 -0.025 0.000 0.969 53 T CA 0.183 62.265 62.100 -0.030 0.000 1.298 53 T CB -0.254 68.612 68.868 -0.003 0.000 1.053 53 T HN 0.544 nan 8.240 nan 0.000 0.402 54 R N 0.927 121.441 120.500 0.023 0.000 2.075 54 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 54 R C 2.843 179.170 176.300 0.045 0.000 1.140 54 R CA 2.052 58.172 56.100 0.034 0.000 0.928 54 R CB -0.833 29.508 30.300 0.068 0.000 0.834 54 R HN 0.373 nan 8.270 nan 0.000 0.429 55 T N -0.068 114.562 114.554 0.126 0.000 2.881 55 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 55 T C 1.918 176.751 174.700 0.222 0.000 1.068 55 T CA 1.239 63.467 62.100 0.212 0.000 1.131 55 T CB -0.051 69.053 68.868 0.394 0.000 0.871 55 T HN 0.187 nan 8.240 nan 0.000 0.479 56 R N -0.305 120.148 120.500 -0.079 0.000 2.075 56 R HA 0.162 4.502 4.340 -0.000 0.000 0.226 56 R C 2.538 178.739 176.300 -0.166 0.000 1.114 56 R CA 0.885 56.705 56.100 -0.467 0.000 0.972 56 R CB -0.270 29.264 30.300 -1.278 0.000 0.869 56 R HN 0.427 nan 8.270 nan 0.000 0.437 57 L N 0.696 121.849 121.223 -0.116 0.000 2.072 57 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 57 L C 2.673 179.539 176.870 -0.005 0.000 1.079 57 L CA 1.472 56.279 54.840 -0.055 0.000 0.752 57 L CB -0.468 41.557 42.059 -0.056 0.000 0.906 57 L HN 0.330 nan 8.230 nan 0.000 0.436 58 S N -0.233 115.459 115.700 -0.012 0.000 2.356 58 S HA -0.221 4.249 4.470 -0.000 0.000 0.223 58 S C 2.027 176.635 174.600 0.013 0.000 1.032 58 S CA 0.955 59.128 58.200 -0.045 0.000 1.005 58 S CB -1.026 62.108 63.200 -0.110 0.000 0.867 58 S HN 0.309 nan 8.310 nan 0.000 0.449 59 F N 2.203 122.149 119.950 -0.006 0.000 2.091 59 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 59 F C 2.895 178.676 175.800 -0.032 0.000 1.103 59 F CA 1.795 59.803 58.000 0.012 0.000 1.228 59 F CB -0.123 38.931 39.000 0.089 0.000 0.984 59 F HN 0.300 nan 8.300 nan 0.000 0.477 60 E N -0.858 119.447 120.200 0.175 0.000 2.106 60 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 60 E C 2.032 178.650 176.600 0.031 0.000 0.984 60 E CA 1.607 58.027 56.400 0.033 0.000 0.806 60 E CB -0.163 29.562 29.700 0.042 0.000 0.750 60 E HN 0.342 nan 8.360 nan 0.000 0.458 61 T N 0.498 115.105 114.554 0.089 0.000 2.746 61 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 61 T C 2.114 176.852 174.700 0.063 0.000 1.039 61 T CA 1.222 63.389 62.100 0.111 0.000 1.142 61 T CB -0.158 68.730 68.868 0.032 0.000 0.866 61 T HN 0.036 nan 8.240 nan 0.000 0.444 62 S N 1.570 117.287 115.700 0.029 0.000 2.353 62 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 62 S C 2.136 176.749 174.600 0.023 0.000 1.035 62 S CA 1.401 59.617 58.200 0.026 0.000 1.025 62 S CB -0.446 62.780 63.200 0.043 0.000 0.902 62 S HN 0.472 nan 8.310 nan 0.000 0.440 63 M N 0.318 119.906 119.600 -0.021 0.000 2.149 63 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 63 M C 1.931 178.139 176.300 -0.153 0.000 1.064 63 M CA 1.659 56.893 55.300 -0.110 0.000 1.102 63 M CB -0.705 31.765 32.600 -0.217 0.000 1.369 63 M HN 0.412 nan 8.290 nan 0.000 0.408 64 H N -1.047 118.038 119.070 0.026 0.000 2.436 64 H HA 0.026 4.582 4.556 -0.000 0.000 0.294 64 H C 2.051 177.385 175.328 0.010 0.000 1.048 64 H CA 0.754 56.808 56.048 0.009 0.000 1.353 64 H CB 0.099 29.862 29.762 0.001 0.000 1.414 64 H HN 0.149 nan 8.280 nan 0.000 0.536 65 R N 0.379 120.946 120.500 0.113 0.000 2.328 65 R HA 0.045 4.385 4.340 -0.000 0.000 0.207 65 R C 0.687 177.024 176.300 0.062 0.000 1.056 65 R CA 0.587 56.733 56.100 0.077 0.000 1.016 65 R CB 0.157 30.491 30.300 0.058 0.000 0.872 65 R HN 0.323 nan 8.270 nan 0.000 0.471 66 L N -1.840 119.414 121.223 0.052 0.000 2.906 66 L HA 0.348 4.688 4.340 -0.000 0.000 0.255 66 L C 0.873 177.760 176.870 0.028 0.000 1.166 66 L CA 0.229 55.095 54.840 0.043 0.000 0.977 66 L CB 0.972 43.058 42.059 0.045 0.000 1.313 66 L HN 0.356 nan 8.230 nan 0.000 0.549 67 G N 0.705 109.525 108.800 0.033 0.000 2.159 67 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 67 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 67 G C 0.373 175.270 174.900 -0.005 0.000 0.977 67 G CA 0.184 45.292 45.100 0.013 0.000 0.652 67 G HN 0.487 nan 8.290 nan 0.000 0.531 68 A N -0.038 122.777 122.820 -0.010 0.000 2.302 68 A HA 0.845 5.165 4.320 -0.000 0.000 0.285 68 A C 0.770 178.335 177.584 -0.031 0.000 1.105 68 A CA 0.797 52.817 52.037 -0.028 0.000 0.816 68 A CB 0.805 19.780 19.000 -0.040 0.000 1.067 68 A HN 1.898 nan 8.150 nan 0.000 0.489 69 S N 0.025 115.720 115.700 -0.009 0.000 2.608 69 S HA 0.704 5.174 4.470 -0.000 0.000 0.291 69 S C -0.186 174.402 174.600 -0.020 0.000 1.146 69 S CA -0.021 58.199 58.200 0.032 0.000 1.043 69 S CB 1.183 64.415 63.200 0.052 0.000 1.037 69 S HN 2.024 nan 8.310 nan 0.000 0.520 70 V N 0.061 119.981 119.914 0.011 0.000 2.823 70 V HA 0.959 5.079 4.120 -0.000 0.000 0.312 70 V C -0.394 175.706 176.094 0.010 0.000 1.072 70 V CA -0.612 61.672 62.300 -0.027 0.000 0.937 70 V CB 1.072 32.839 31.823 -0.094 0.000 1.013 70 V HN 1.428 nan 8.190 nan 0.000 0.430 71 V N 1.121 121.028 119.914 -0.012 0.000 3.078 71 V HA 1.151 5.271 4.120 -0.000 0.000 0.311 71 V C 0.227 176.291 176.094 -0.050 0.000 1.138 71 V CA 0.256 62.554 62.300 -0.003 0.000 1.007 71 V CB 1.085 32.919 31.823 0.019 0.000 1.045 71 V HN 2.306 nan 8.190 nan 0.000 0.432 72 G N 1.492 110.262 108.800 -0.049 0.000 2.373 72 G HA2 0.565 4.525 3.960 -0.000 0.000 0.250 72 G HA3 0.565 4.525 3.960 -0.000 0.000 0.250 72 G C -1.516 173.325 174.900 -0.098 0.000 1.304 72 G CA 0.039 45.006 45.100 -0.221 0.000 0.948 72 G HN 2.207 nan 8.290 nan 0.000 0.474 73 F N -1.673 118.267 119.950 -0.018 0.000 2.678 73 F HA 0.735 5.262 4.527 0.000 0.000 0.308 73 F C 0.512 176.292 175.800 -0.032 0.000 1.118 73 F CA -0.386 57.581 58.000 -0.054 0.000 0.959 73 F CB 1.427 40.357 39.000 -0.117 0.000 1.305 73 F HN 0.780 nan 8.300 nan 0.000 0.443 74 S N -1.411 114.406 115.700 0.195 0.000 2.559 74 S HA 0.283 4.753 4.470 -0.000 0.000 0.226 74 S C -0.624 174.066 174.600 0.149 0.000 1.000 74 S CA 0.112 58.394 58.200 0.136 0.000 0.948 74 S CB -0.053 63.149 63.200 0.002 0.000 0.870 74 S HN 0.751 nan 8.310 nan 0.000 0.497 75 D N 1.373 121.856 120.400 0.138 0.000 2.936 75 D HA 0.334 4.974 4.640 -0.000 0.000 0.238 75 D C 0.443 176.669 176.300 -0.125 0.000 1.248 75 D CA -0.317 53.697 54.000 0.023 0.000 0.903 75 D CB 2.176 42.976 40.800 0.000 0.000 1.544 75 D HN 0.017 nan 8.370 nan 0.000 0.543 76 S N 2.004 117.582 115.700 -0.204 0.000 2.593 76 S HA 0.154 4.624 4.470 -0.000 0.000 0.217 76 S C 1.689 176.127 174.600 -0.270 0.000 0.966 76 S CA 0.456 58.402 58.200 -0.424 0.000 0.914 76 S CB 0.108 63.142 63.200 -0.276 0.000 0.776 76 S HN 0.447 nan 8.310 nan 0.000 0.523 77 A N 2.320 125.044 122.820 -0.160 0.000 2.121 77 A HA 0.078 4.397 4.320 -0.000 0.000 0.218 77 A C 1.672 179.184 177.584 -0.121 0.000 1.154 77 A CA 0.869 52.841 52.037 -0.109 0.000 0.679 77 A CB -0.324 18.637 19.000 -0.065 0.000 0.795 77 A HN 0.596 nan 8.150 nan 0.000 0.458 78 N N -0.043 118.558 118.700 -0.166 0.000 2.235 78 N HA 0.048 4.788 4.740 -0.000 0.000 0.231 78 N C 0.248 175.647 175.510 -0.186 0.000 1.177 78 N CA 0.737 53.704 53.050 -0.138 0.000 0.874 78 N CB 0.633 39.065 38.487 -0.093 0.000 1.097 78 N HN 0.619 nan 8.380 nan 0.000 0.518 79 T N -3.013 111.368 114.554 -0.289 0.000 2.884 79 T HA 0.323 4.673 4.350 -0.000 0.000 0.277 79 T C 1.408 176.011 174.700 -0.163 0.000 0.976 79 T CA -0.393 61.520 62.100 -0.313 0.000 0.956 79 T CB 1.466 69.988 68.868 -0.578 0.000 1.113 79 T HN -0.193 nan 8.240 nan 0.000 0.554 80 S N -0.165 115.473 115.700 -0.104 0.000 2.428 80 S HA -0.001 4.468 4.470 -0.000 0.000 0.230 80 S C 1.848 176.422 174.600 -0.044 0.000 1.014 80 S CA 0.565 58.734 58.200 -0.052 0.000 0.957 80 S CB -0.688 62.501 63.200 -0.019 0.000 0.784 80 S HN 0.626 nan 8.310 nan 0.000 0.499 81 L N 1.342 122.538 121.223 -0.045 0.000 2.141 81 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 81 L C 2.071 178.930 176.870 -0.019 0.000 1.094 81 L CA 1.357 56.194 54.840 -0.005 0.000 0.763 81 L CB -0.587 41.513 42.059 0.069 0.000 0.908 81 L HN 0.381 nan 8.230 nan 0.000 0.437 82 G N -0.938 107.823 108.800 -0.064 0.000 2.494 82 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 82 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 82 G C 1.492 176.365 174.900 -0.046 0.000 1.140 82 G CA 0.198 45.262 45.100 -0.060 0.000 0.801 82 G HN 0.211 nan 8.290 nan 0.000 0.536 83 K N -0.290 120.082 120.400 -0.047 0.000 2.464 83 K HA 0.193 4.513 4.320 -0.000 0.000 0.206 83 K C 1.335 177.921 176.600 -0.025 0.000 1.186 83 K CA 0.156 56.423 56.287 -0.035 0.000 0.990 83 K CB 0.840 33.317 32.500 -0.038 0.000 1.003 83 K HN 0.196 nan 8.250 nan 0.000 0.562 84 K N 0.038 120.423 120.400 -0.024 0.000 2.374 84 K HA 0.160 4.480 4.320 -0.000 0.000 0.202 84 K C 0.482 177.075 176.600 -0.013 0.000 1.040 84 K CA 0.457 56.735 56.287 -0.016 0.000 1.085 84 K CB 1.224 33.715 32.500 -0.014 0.000 0.873 84 K HN 0.193 nan 8.250 nan 0.000 0.539 85 G N 2.689 111.481 108.800 -0.013 0.000 2.137 85 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.237 85 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.237 85 G C -0.240 174.653 174.900 -0.012 0.000 1.002 85 G CA 0.181 45.275 45.100 -0.010 0.000 0.702 85 G HN 0.435 nan 8.290 nan 0.000 0.515 86 E N 1.246 121.439 120.200 -0.011 0.000 2.373 86 E HA 0.454 4.804 4.350 -0.000 0.000 0.267 86 E C 1.449 178.037 176.600 -0.022 0.000 1.032 86 E CA 0.227 56.618 56.400 -0.015 0.000 0.889 86 E CB 0.420 30.115 29.700 -0.009 0.000 0.984 86 E HN 0.459 nan 8.360 nan 0.000 0.425 87 T N 1.439 115.965 114.554 -0.047 0.000 2.766 87 T HA 0.020 4.370 4.350 -0.000 0.000 0.295 87 T C 1.016 175.656 174.700 -0.099 0.000 1.024 87 T CA -0.660 61.392 62.100 -0.081 0.000 1.018 87 T CB 0.774 69.568 68.868 -0.123 0.000 1.002 87 T HN 0.509 nan 8.240 nan 0.000 0.532 88 L N 1.080 122.215 121.223 -0.147 0.000 2.240 88 L HA 0.295 4.634 4.340 -0.000 0.000 0.211 88 L C 2.608 179.302 176.870 -0.293 0.000 1.106 88 L CA 1.789 56.523 54.840 -0.175 0.000 0.793 88 L CB -1.396 40.509 42.059 -0.256 0.000 0.927 88 L HN 0.914 nan 8.230 nan 0.000 0.446 89 A N -0.490 122.051 122.820 -0.465 0.000 1.877 89 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 89 A C 1.969 179.241 177.584 -0.521 0.000 1.186 89 A CA 1.890 53.383 52.037 -0.907 0.000 0.620 89 A CB -0.782 17.423 19.000 -1.324 0.000 0.822 89 A HN 0.478 nan 8.150 nan 0.000 0.443 90 D N -0.570 119.660 120.400 -0.285 0.000 2.144 90 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 90 D C 2.009 178.262 176.300 -0.078 0.000 0.978 90 D CA 1.736 55.659 54.000 -0.129 0.000 0.833 90 D CB -0.696 40.060 40.800 -0.074 0.000 0.961 90 D HN 0.400 nan 8.370 nan 0.000 0.470 91 T N 1.103 115.621 114.554 -0.060 0.000 2.759 91 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 91 T C 1.882 176.598 174.700 0.026 0.000 1.042 91 T CA 0.539 62.657 62.100 0.030 0.000 1.140 91 T CB 0.070 69.010 68.868 0.120 0.000 0.864 91 T HN 0.109 nan 8.240 nan 0.000 0.455 92 I N 1.246 121.794 120.570 -0.037 0.000 2.406 92 I HA -0.024 4.146 4.170 -0.000 0.000 0.249 92 I C 2.576 178.677 176.117 -0.025 0.000 1.122 92 I CA 0.904 62.191 61.300 -0.021 0.000 1.431 92 I CB -1.305 36.666 38.000 -0.048 0.000 1.087 92 I HN 0.175 nan 8.210 nan 0.000 0.424 93 S N 1.355 117.040 115.700 -0.025 0.000 2.370 93 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 93 S C 2.181 176.732 174.600 -0.081 0.000 1.033 93 S CA 1.805 60.007 58.200 0.004 0.000 1.011 93 S CB -0.573 62.653 63.200 0.044 0.000 0.852 93 S HN 0.483 nan 8.310 nan 0.000 0.457 94 V N 0.211 120.056 119.914 -0.115 0.000 2.379 94 V HA 0.015 4.135 4.120 -0.000 0.000 0.245 94 V C 1.916 177.675 176.094 -0.558 0.000 1.044 94 V CA 1.205 63.357 62.300 -0.246 0.000 1.036 94 V CB -0.921 30.828 31.823 -0.124 0.000 0.664 94 V HN 0.428 nan 8.190 nan 0.000 0.453 95 I N 2.553 122.925 120.570 -0.329 0.000 2.226 95 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 95 I C 2.757 178.692 176.117 -0.303 0.000 1.100 95 I CA 1.954 63.059 61.300 -0.326 0.000 1.374 95 I CB -0.467 37.532 38.000 -0.002 0.000 1.057 95 I HN 0.546 nan 8.210 nan 0.000 0.413 96 S N -1.080 114.514 115.700 -0.177 0.000 2.584 96 S HA -0.125 4.345 4.470 -0.000 0.000 0.240 96 S C 1.637 176.167 174.600 -0.117 0.000 0.975 96 S CA 1.204 59.348 58.200 -0.094 0.000 0.949 96 S CB -0.639 62.542 63.200 -0.032 0.000 0.761 96 S HN 0.351 nan 8.310 nan 0.000 0.536 97 T N 0.616 115.008 114.554 -0.271 0.000 3.107 97 T HA 0.242 4.592 4.350 -0.000 0.000 0.249 97 T C 0.207 174.907 174.700 -0.001 0.000 1.096 97 T CA 0.302 62.285 62.100 -0.194 0.000 1.012 97 T CB -0.110 68.586 68.868 -0.286 0.000 0.977 97 T HN 0.636 nan 8.240 nan 0.000 0.527 98 Y N -0.167 120.150 120.300 0.029 0.000 2.652 98 Y HA 0.410 4.960 4.550 -0.000 0.000 0.275 98 Y C 0.878 176.789 175.900 0.019 0.000 1.133 98 Y CA -1.308 56.807 58.100 0.025 0.000 1.246 98 Y CB -0.289 38.188 38.460 0.029 0.000 1.334 98 Y HN 0.026 nan 8.280 nan 0.000 0.493 99 V N -1.777 118.233 119.914 0.160 0.000 3.093 99 V HA 0.482 4.602 4.120 -0.000 0.000 0.320 99 V C 0.365 176.484 176.094 0.042 0.000 1.093 99 V CA -0.725 61.628 62.300 0.089 0.000 1.016 99 V CB 1.973 33.835 31.823 0.064 0.000 1.096 99 V HN 0.045 nan 8.190 nan 0.000 0.452 100 D N 1.115 121.530 120.400 0.025 0.000 2.349 100 D HA 0.476 5.116 4.640 -0.000 0.000 0.215 100 D C 0.570 176.856 176.300 -0.022 0.000 1.016 100 D CA 1.453 55.455 54.000 0.004 0.000 0.870 100 D CB 1.124 41.931 40.800 0.012 0.000 0.917 100 D HN 1.016 nan 8.370 nan 0.000 0.524 101 A N 0.285 123.091 122.820 -0.023 0.000 2.590 101 A HA 0.557 4.876 4.320 -0.000 0.000 0.294 101 A C -1.744 175.809 177.584 -0.052 0.000 1.046 101 A CA -0.690 51.324 52.037 -0.040 0.000 0.684 101 A CB 0.795 19.762 19.000 -0.054 0.000 1.279 101 A HN 0.018 nan 8.150 nan 0.000 0.415 102 I N 1.682 122.218 120.570 -0.057 0.000 2.439 102 I HA 0.373 4.543 4.170 -0.000 0.000 0.283 102 I C -0.761 175.273 176.117 -0.138 0.000 1.023 102 I CA -0.900 60.351 61.300 -0.081 0.000 1.100 102 I CB 1.759 39.736 38.000 -0.037 0.000 1.238 102 I HN 0.324 nan 8.210 nan 0.000 0.445 103 V N 7.647 127.421 119.914 -0.233 0.000 2.406 103 V HA 0.460 4.580 4.120 -0.000 0.000 0.272 103 V C 0.147 176.065 176.094 -0.293 0.000 1.043 103 V CA -0.270 61.815 62.300 -0.359 0.000 0.915 103 V CB 1.355 32.765 31.823 -0.687 0.000 0.988 103 V HN 0.775 nan 8.190 nan 0.000 0.466 104 M N 5.472 124.901 119.600 -0.285 0.000 2.446 104 M HA 0.730 5.210 4.480 -0.000 0.000 0.294 104 M C -1.048 175.014 176.300 -0.397 0.000 1.158 104 M CA -0.770 54.347 55.300 -0.304 0.000 0.899 104 M CB 2.424 34.978 32.600 -0.076 0.000 1.687 104 M HN 0.509 nan 8.290 nan 0.000 0.455 105 R N 2.329 122.498 120.500 -0.552 0.000 2.534 105 R HA 0.566 4.906 4.340 -0.000 0.000 0.301 105 R C -1.846 174.444 176.300 -0.017 0.000 0.961 105 R CA -0.394 55.480 56.100 -0.377 0.000 0.871 105 R CB 1.357 31.301 30.300 -0.592 0.000 1.170 105 R HN 0.947 nan 8.270 nan 0.000 0.446 106 H N 4.712 123.727 119.070 -0.092 0.000 2.930 106 H HA 0.300 4.856 4.556 -0.000 0.000 0.371 106 H C -2.245 173.064 175.328 -0.030 0.000 1.169 106 H CA -2.066 53.941 56.048 -0.067 0.000 1.157 106 H CB 2.961 32.575 29.762 -0.247 0.000 1.789 106 H HN 0.449 nan 8.280 nan 0.000 0.547 107 P HA -0.017 nan 4.420 nan 0.000 0.236 107 P C -0.149 177.238 177.300 0.145 0.000 1.177 107 P CA 0.513 63.631 63.100 0.029 0.000 0.773 107 P CB 1.026 32.690 31.700 -0.060 0.000 0.878 108 Q N 0.445 120.459 119.800 0.358 0.000 2.245 108 Q HA 0.291 4.631 4.340 -0.000 0.000 0.256 108 Q C -0.413 175.626 176.000 0.065 0.000 0.942 108 Q CA -0.399 55.504 55.803 0.166 0.000 0.896 108 Q CB 0.905 29.706 28.738 0.106 0.000 1.272 108 Q HN -0.067 nan 8.270 nan 0.000 0.442 109 E N 0.253 120.476 120.200 0.039 0.000 2.392 109 E HA 0.392 4.742 4.350 -0.000 0.000 0.264 109 E C 0.804 177.378 176.600 -0.043 0.000 1.024 109 E CA 1.240 57.650 56.400 0.017 0.000 0.903 109 E CB 0.492 30.215 29.700 0.039 0.000 0.963 109 E HN 0.757 nan 8.360 nan 0.000 0.432 110 G N 1.836 110.600 108.800 -0.060 0.000 2.199 110 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.254 110 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.254 110 G C 1.212 176.022 174.900 -0.150 0.000 0.982 110 G CA 0.720 45.764 45.100 -0.092 0.000 0.632 110 G HN 0.686 nan 8.290 nan 0.000 0.529 111 A N 0.605 123.289 122.820 -0.226 0.000 1.917 111 A HA 0.249 4.569 4.320 -0.000 0.000 0.219 111 A C 2.869 180.289 177.584 -0.273 0.000 1.182 111 A CA 3.148 54.952 52.037 -0.387 0.000 0.633 111 A CB -0.973 17.595 19.000 -0.720 0.000 0.819 111 A HN 1.876 nan 8.150 nan 0.000 0.448 112 A N -0.628 122.081 122.820 -0.185 0.000 1.972 112 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 112 A C 2.208 179.707 177.584 -0.141 0.000 1.169 112 A CA 1.843 53.794 52.037 -0.144 0.000 0.635 112 A CB -0.419 18.525 19.000 -0.093 0.000 0.810 112 A HN 0.573 nan 8.150 nan 0.000 0.446 113 R N -0.644 119.781 120.500 -0.125 0.000 2.090 113 R HA -0.029 4.311 4.340 -0.000 0.000 0.228 113 R C 2.059 178.298 176.300 -0.102 0.000 1.110 113 R CA 1.129 57.157 56.100 -0.120 0.000 0.973 113 R CB -0.317 29.928 30.300 -0.092 0.000 0.869 113 R HN 0.420 nan 8.270 nan 0.000 0.440 114 L N 0.752 121.921 121.223 -0.090 0.000 2.012 114 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 114 L C 2.070 178.976 176.870 0.060 0.000 1.073 114 L CA 2.436 57.266 54.840 -0.016 0.000 0.748 114 L CB -1.462 40.533 42.059 -0.106 0.000 0.891 114 L HN 0.346 nan 8.230 nan 0.000 0.431 115 A N -0.156 122.629 122.820 -0.058 0.000 1.883 115 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 115 A C 2.289 179.869 177.584 -0.007 0.000 1.186 115 A CA 2.940 54.961 52.037 -0.027 0.000 0.624 115 A CB -1.315 17.629 19.000 -0.095 0.000 0.822 115 A HN 0.669 nan 8.150 nan 0.000 0.444 116 T N -1.445 113.004 114.554 -0.176 0.000 2.822 116 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 116 T C 1.312 175.918 174.700 -0.157 0.000 1.064 116 T CA 1.735 63.610 62.100 -0.376 0.000 1.131 116 T CB -0.569 67.855 68.868 -0.739 0.000 0.858 116 T HN 0.665 nan 8.240 nan 0.000 0.483 117 E N -0.116 120.043 120.200 -0.069 0.000 2.511 117 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 117 E C 0.168 176.539 176.600 -0.382 0.000 1.066 117 E CA 0.362 56.644 56.400 -0.196 0.000 0.871 117 E CB -0.046 29.513 29.700 -0.235 0.000 0.863 117 E HN 0.675 nan 8.360 nan 0.000 0.520 118 F N -1.381 118.524 119.950 -0.075 0.000 2.899 118 F HA 0.079 4.606 4.527 -0.000 0.000 0.337 118 F C 1.474 177.247 175.800 -0.044 0.000 1.129 118 F CA -0.198 57.769 58.000 -0.055 0.000 1.128 118 F CB 0.804 39.768 39.000 -0.060 0.000 1.154 118 F HN -0.084 nan 8.300 nan 0.000 0.531 119 S N -1.026 114.747 115.700 0.121 0.000 2.557 119 S HA 0.480 4.950 4.470 -0.000 0.000 0.223 119 S C 1.580 176.220 174.600 0.066 0.000 0.969 119 S CA 0.278 58.527 58.200 0.082 0.000 0.927 119 S CB -0.416 62.834 63.200 0.084 0.000 0.806 119 S HN 0.517 nan 8.310 nan 0.000 0.489 120 G N 3.349 112.179 108.800 0.049 0.000 2.685 120 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.329 120 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.329 120 G C 0.633 175.557 174.900 0.040 0.000 1.271 120 G CA 0.828 45.945 45.100 0.028 0.000 1.003 120 G HN 0.582 nan 8.290 nan 0.000 0.549 121 N N -0.100 118.607 118.700 0.012 0.000 2.467 121 N HA 0.232 4.972 4.740 -0.000 0.000 0.184 121 N C 0.357 175.845 175.510 -0.036 0.000 1.106 121 N CA 0.162 53.202 53.050 -0.017 0.000 0.892 121 N CB 0.374 38.848 38.487 -0.021 0.000 0.969 121 N HN 0.292 nan 8.380 nan 0.000 0.454 122 V N 4.043 123.960 119.914 0.005 0.000 2.427 122 V HA 0.152 4.272 4.120 -0.000 0.000 0.268 122 V C -1.881 174.242 176.094 0.050 0.000 1.046 122 V CA -1.500 60.801 62.300 0.001 0.000 0.970 122 V CB 0.651 32.482 31.823 0.013 0.000 1.001 122 V HN 0.045 nan 8.190 nan 0.000 0.476 123 P HA 0.168 nan 4.420 nan 0.000 0.271 123 P C -0.711 176.681 177.300 0.154 0.000 1.218 123 P CA -0.025 63.053 63.100 -0.036 0.000 0.780 123 P CB 1.320 32.911 31.700 -0.181 0.000 0.901 124 V N 4.313 124.467 119.914 0.401 0.000 2.417 124 V HA 0.205 4.325 4.120 -0.000 0.000 0.291 124 V C 0.190 176.344 176.094 0.100 0.000 1.024 124 V CA -0.591 61.794 62.300 0.143 0.000 0.861 124 V CB 1.265 33.094 31.823 0.011 0.000 0.985 124 V HN 0.333 nan 8.190 nan 0.000 0.436 125 L N 4.703 125.935 121.223 0.014 0.000 2.277 125 L HA 0.432 4.772 4.340 -0.000 0.000 0.284 125 L C 0.321 177.198 176.870 0.012 0.000 1.028 125 L CA -0.282 54.580 54.840 0.035 0.000 0.835 125 L CB 0.881 42.945 42.059 0.008 0.000 1.215 125 L HN 0.571 nan 8.230 nan 0.000 0.425 126 N N 2.720 121.450 118.700 0.050 0.000 2.416 126 N HA 0.121 4.861 4.740 -0.000 0.000 0.271 126 N C 0.536 176.090 175.510 0.074 0.000 1.245 126 N CA 0.238 53.303 53.050 0.024 0.000 0.940 126 N CB 1.100 39.607 38.487 0.033 0.000 1.175 126 N HN 0.653 nan 8.380 nan 0.000 0.483 127 A N 2.603 125.412 122.820 -0.018 0.000 2.411 127 A HA 0.516 4.836 4.320 -0.000 0.000 0.251 127 A C 0.692 178.147 177.584 -0.215 0.000 1.317 127 A CA 0.199 52.251 52.037 0.025 0.000 0.904 127 A CB -0.805 18.199 19.000 0.006 0.000 0.993 127 A HN 0.884 nan 8.150 nan 0.000 0.504 128 G N 0.849 109.538 108.800 -0.185 0.000 3.239 128 G HA2 0.287 4.247 3.960 -0.000 0.000 0.666 128 G HA3 0.287 4.247 3.960 -0.000 0.000 0.666 128 G C -1.360 173.492 174.900 -0.080 0.000 1.313 128 G CA -0.271 44.699 45.100 -0.217 0.000 1.001 128 G HN 0.597 nan 8.290 nan 0.000 0.573 129 D N 1.930 122.321 120.400 -0.015 0.000 2.408 129 D HA 0.587 5.227 4.640 -0.000 0.000 0.261 129 D C 1.092 177.424 176.300 0.054 0.000 1.190 129 D CA 0.571 54.580 54.000 0.015 0.000 0.910 129 D CB 0.705 41.494 40.800 -0.018 0.000 1.097 129 D HN 1.965 nan 8.370 nan 0.000 0.522 130 G N 2.795 111.638 108.800 0.072 0.000 2.566 130 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.280 130 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.280 130 G C 0.632 175.599 174.900 0.110 0.000 1.225 130 G CA 0.462 45.615 45.100 0.089 0.000 0.966 130 G HN 1.147 nan 8.290 nan 0.000 0.560 131 S N 0.579 116.379 115.700 0.167 0.000 2.622 131 S HA 0.286 4.756 4.470 -0.000 0.000 0.236 131 S C 1.087 175.863 174.600 0.292 0.000 0.956 131 S CA 0.917 59.259 58.200 0.235 0.000 0.971 131 S CB 0.406 63.855 63.200 0.414 0.000 0.782 131 S HN 0.834 nan 8.310 nan 0.000 0.468 132 N N 1.706 120.540 118.700 0.224 0.000 2.284 132 N HA 0.102 4.842 4.740 -0.000 0.000 0.210 132 N C 0.233 175.903 175.510 0.267 0.000 1.029 132 N CA 0.838 54.038 53.050 0.250 0.000 1.039 132 N CB 0.102 38.659 38.487 0.117 0.000 1.268 132 N HN 0.262 nan 8.380 nan 0.000 0.546 133 Q N -0.775 119.125 119.800 0.168 0.000 2.351 133 Q HA 0.228 4.568 4.340 -0.000 0.000 0.273 133 Q C -1.070 175.053 176.000 0.206 0.000 1.077 133 Q CA -0.411 55.497 55.803 0.175 0.000 0.843 133 Q CB 1.789 30.602 28.738 0.125 0.000 1.367 133 Q HN 0.562 nan 8.270 nan 0.000 0.449 134 H N 1.600 120.726 119.070 0.093 0.000 2.806 134 H HA 0.171 4.727 4.556 -0.000 0.000 0.218 134 H C -2.088 173.302 175.328 0.103 0.000 1.392 134 H CA -1.839 54.268 56.048 0.099 0.000 1.358 134 H CB 0.547 30.366 29.762 0.096 0.000 1.944 134 H HN 0.302 nan 8.280 nan 0.000 0.530 135 P HA -0.219 nan 4.420 nan 0.000 0.216 135 P C 1.450 178.842 177.300 0.153 0.000 1.157 135 P CA 2.477 65.683 63.100 0.177 0.000 0.880 135 P CB -0.061 31.736 31.700 0.161 0.000 0.791 136 T N -3.991 110.691 114.554 0.212 0.000 3.007 136 T HA -0.113 4.237 4.350 -0.000 0.000 0.270 136 T C 2.068 176.770 174.700 0.002 0.000 1.107 136 T CA 0.720 62.886 62.100 0.110 0.000 1.118 136 T CB -0.596 68.327 68.868 0.092 0.000 0.889 136 T HN 0.007 nan 8.240 nan 0.000 0.506 137 Q N 0.867 120.598 119.800 -0.115 0.000 2.096 137 Q HA -0.029 4.311 4.340 -0.000 0.000 0.197 137 Q C 2.372 178.313 176.000 -0.099 0.000 0.964 137 Q CA 1.569 57.173 55.803 -0.330 0.000 0.838 137 Q CB -0.692 27.369 28.738 -1.128 0.000 0.906 137 Q HN 0.572 nan 8.270 nan 0.000 0.444 138 T N 1.894 116.423 114.554 -0.042 0.000 2.788 138 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 138 T C 2.010 176.756 174.700 0.077 0.000 1.044 138 T CA 0.774 62.893 62.100 0.032 0.000 1.139 138 T CB -0.161 68.738 68.868 0.053 0.000 0.867 138 T HN 0.201 nan 8.240 nan 0.000 0.454 139 L N 0.883 122.151 121.223 0.076 0.000 2.012 139 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 139 L C 2.515 179.460 176.870 0.125 0.000 1.073 139 L CA 1.442 56.345 54.840 0.105 0.000 0.748 139 L CB -0.812 41.295 42.059 0.079 0.000 0.891 139 L HN 0.356 nan 8.230 nan 0.000 0.431 140 L N -2.627 118.640 121.223 0.073 0.000 2.156 140 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 140 L C 1.913 178.903 176.870 0.201 0.000 1.095 140 L CA 1.561 56.461 54.840 0.099 0.000 0.770 140 L CB -0.891 41.175 42.059 0.012 0.000 0.914 140 L HN 0.041 nan 8.230 nan 0.000 0.439 141 D N 0.928 121.431 120.400 0.172 0.000 2.084 141 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 141 D C 2.364 178.780 176.300 0.195 0.000 0.990 141 D CA 1.966 56.096 54.000 0.218 0.000 0.826 141 D CB -0.391 40.539 40.800 0.216 0.000 0.971 141 D HN 0.408 nan 8.370 nan 0.000 0.453 142 L N -0.149 121.166 121.223 0.153 0.000 1.989 142 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 142 L C 2.464 179.426 176.870 0.153 0.000 1.071 142 L CA 1.041 55.943 54.840 0.103 0.000 0.749 142 L CB -0.568 41.553 42.059 0.103 0.000 0.890 142 L HN -0.022 nan 8.230 nan 0.000 0.431 143 F N 0.724 120.716 119.950 0.070 0.000 2.154 143 F HA -0.281 4.246 4.527 -0.000 0.000 0.301 143 F C 2.408 178.268 175.800 0.100 0.000 1.087 143 F CA 2.130 60.181 58.000 0.085 0.000 1.274 143 F CB -0.344 38.727 39.000 0.119 0.000 1.009 143 F HN -0.035 nan 8.300 nan 0.000 0.485 144 T N 1.010 115.803 114.554 0.398 0.000 2.770 144 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 144 T C 2.130 176.903 174.700 0.122 0.000 1.039 144 T CA 1.583 63.881 62.100 0.330 0.000 1.142 144 T CB -0.335 68.770 68.868 0.395 0.000 0.868 144 T HN 0.247 nan 8.240 nan 0.000 0.435 145 I N 1.075 121.696 120.570 0.085 0.000 2.335 145 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 145 I C 2.900 178.963 176.117 -0.091 0.000 1.129 145 I CA 1.161 62.457 61.300 -0.007 0.000 1.402 145 I CB -0.333 37.658 38.000 -0.016 0.000 1.069 145 I HN 0.239 nan 8.210 nan 0.000 0.424 146 Q N 0.866 120.600 119.800 -0.110 0.000 2.083 146 Q HA -0.230 4.110 4.340 -0.000 0.000 0.198 146 Q C 2.059 177.939 176.000 -0.200 0.000 0.969 146 Q CA 1.410 57.111 55.803 -0.171 0.000 0.838 146 Q CB -0.059 28.564 28.738 -0.190 0.000 0.900 146 Q HN 0.532 nan 8.270 nan 0.000 0.436 147 E N -0.243 119.819 120.200 -0.229 0.000 2.265 147 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 147 E C 1.039 177.529 176.600 -0.184 0.000 0.996 147 E CA 1.556 57.827 56.400 -0.215 0.000 0.832 147 E CB 0.244 29.859 29.700 -0.142 0.000 0.756 147 E HN 0.389 nan 8.360 nan 0.000 0.491 148 T N -3.356 111.062 114.554 -0.226 0.000 3.003 148 T HA 0.174 4.524 4.350 -0.000 0.000 0.261 148 T C 1.390 175.948 174.700 -0.236 0.000 1.003 148 T CA -0.470 61.432 62.100 -0.329 0.000 0.917 148 T CB 0.637 69.153 68.868 -0.587 0.000 1.084 148 T HN -0.068 nan 8.240 nan 0.000 0.522 149 Q N 0.519 120.214 119.800 -0.175 0.000 2.353 149 Q HA 0.371 4.711 4.340 -0.000 0.000 0.240 149 Q C 1.798 177.728 176.000 -0.117 0.000 0.868 149 Q CA 0.999 56.721 55.803 -0.135 0.000 0.944 149 Q CB 0.788 29.455 28.738 -0.119 0.000 1.104 149 Q HN 0.681 nan 8.270 nan 0.000 0.531 150 G N 2.278 111.002 108.800 -0.126 0.000 2.199 150 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 150 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 150 G C 0.263 175.103 174.900 -0.101 0.000 0.982 150 G CA 0.575 45.611 45.100 -0.107 0.000 0.632 150 G HN 0.404 nan 8.290 nan 0.000 0.529 151 R N -2.599 117.830 120.500 -0.119 0.000 2.780 151 R HA 0.645 4.985 4.340 -0.000 0.000 0.280 151 R C -0.562 175.622 176.300 -0.193 0.000 1.016 151 R CA -1.070 54.955 56.100 -0.125 0.000 0.854 151 R CB -0.113 30.136 30.300 -0.086 0.000 1.293 151 R HN 0.154 nan 8.270 nan 0.000 0.483 152 L N 0.478 121.536 121.223 -0.274 0.000 2.857 152 L HA 0.429 4.769 4.340 -0.000 0.000 0.249 152 L C -0.664 176.001 176.870 -0.341 0.000 1.172 152 L CA 0.371 54.914 54.840 -0.494 0.000 0.980 152 L CB -0.555 40.783 42.059 -1.203 0.000 1.299 152 L HN 0.621 nan 8.230 nan 0.000 0.535 153 D N -0.064 120.245 120.400 -0.152 0.000 2.269 153 D HA 0.239 4.879 4.640 -0.000 0.000 0.244 153 D C 0.254 176.502 176.300 -0.087 0.000 0.992 153 D CA -0.389 53.573 54.000 -0.063 0.000 0.894 153 D CB 1.373 42.180 40.800 0.012 0.000 1.248 153 D HN 0.007 nan 8.370 nan 0.000 0.468 154 N N -0.045 118.597 118.700 -0.096 0.000 2.708 154 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 154 N C -0.718 174.682 175.510 -0.183 0.000 1.017 154 N CA 0.458 53.422 53.050 -0.143 0.000 0.742 154 N CB -1.400 37.037 38.487 -0.082 0.000 0.943 154 N HN 0.317 nan 8.380 nan 0.000 0.539 155 L N 0.341 121.435 121.223 -0.215 0.000 2.343 155 L HA 0.369 4.709 4.340 -0.000 0.000 0.275 155 L C 0.709 177.408 176.870 -0.285 0.000 1.056 155 L CA -0.775 53.965 54.840 -0.165 0.000 0.804 155 L CB 0.875 42.847 42.059 -0.145 0.000 1.203 155 L HN 0.294 nan 8.230 nan 0.000 0.440 156 H N 2.392 121.395 119.070 -0.113 0.000 2.556 156 H HA 0.428 4.984 4.556 -0.000 0.000 0.310 156 H C -0.714 174.603 175.328 -0.018 0.000 1.057 156 H CA -0.493 55.520 56.048 -0.057 0.000 1.264 156 H CB 1.838 31.654 29.762 0.090 0.000 1.404 156 H HN 0.366 nan 8.280 nan 0.000 0.462 157 V N 0.620 120.536 119.914 0.003 0.000 2.656 157 V HA 0.866 4.986 4.120 -0.000 0.000 0.307 157 V C -0.281 175.973 176.094 0.268 0.000 1.051 157 V CA -0.979 61.371 62.300 0.082 0.000 0.893 157 V CB 1.497 33.303 31.823 -0.028 0.000 0.999 157 V HN 0.821 nan 8.190 nan 0.000 0.426 158 A N 6.023 129.009 122.820 0.277 0.000 2.330 158 A HA 0.953 5.273 4.320 -0.000 0.000 0.327 158 A C -0.467 177.277 177.584 0.268 0.000 1.155 158 A CA -0.785 51.432 52.037 0.300 0.000 0.803 158 A CB 1.480 20.560 19.000 0.134 0.000 1.208 158 A HN 1.005 nan 8.150 nan 0.000 0.477 159 M N 2.925 122.712 119.600 0.310 0.000 2.142 159 M HA 0.472 4.952 4.480 -0.000 0.000 0.299 159 M C -0.820 175.572 176.300 0.154 0.000 0.960 159 M CA -0.629 54.825 55.300 0.258 0.000 0.920 159 M CB 1.950 34.700 32.600 0.249 0.000 1.541 159 M HN 0.606 nan 8.290 nan 0.000 0.429 160 V N 2.739 122.679 119.914 0.044 0.000 2.823 160 V HA 1.079 5.199 4.120 -0.000 0.000 0.312 160 V C -0.083 175.954 176.094 -0.095 0.000 1.072 160 V CA 0.727 62.953 62.300 -0.124 0.000 0.937 160 V CB 1.734 33.402 31.823 -0.257 0.000 1.013 160 V HN 1.044 nan 8.190 nan 0.000 0.430 161 G N 4.135 112.869 108.800 -0.110 0.000 2.390 161 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.202 161 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.202 161 G C -0.850 174.086 174.900 0.061 0.000 1.210 161 G CA 0.148 45.268 45.100 0.033 0.000 1.271 161 G HN 1.121 nan 8.290 nan 0.000 0.543 162 D N 1.739 122.176 120.400 0.061 0.000 2.456 162 D HA 0.552 5.192 4.640 -0.000 0.000 0.219 162 D C 1.576 177.885 176.300 0.015 0.000 1.126 162 D CA -0.318 53.729 54.000 0.078 0.000 0.890 162 D CB 0.529 41.409 40.800 0.134 0.000 1.025 162 D HN 0.335 nan 8.370 nan 0.000 0.511 163 L N 3.075 124.278 121.223 -0.034 0.000 2.416 163 L HA 0.091 4.431 4.340 -0.000 0.000 0.216 163 L C 2.359 179.203 176.870 -0.044 0.000 1.098 163 L CA 0.159 54.940 54.840 -0.099 0.000 0.840 163 L CB 0.034 41.974 42.059 -0.198 0.000 0.981 163 L HN 0.281 nan 8.230 nan 0.000 0.462 164 K N 0.369 120.714 120.400 -0.091 0.000 2.025 164 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 164 K C 1.650 178.174 176.600 -0.126 0.000 1.049 164 K CA 1.630 57.797 56.287 -0.199 0.000 0.933 164 K CB 0.006 32.227 32.500 -0.465 0.000 0.714 164 K HN 0.171 nan 8.250 nan 0.000 0.438 165 Y N -0.015 120.334 120.300 0.082 0.000 2.462 165 Y HA 0.271 4.821 4.550 -0.000 0.000 0.261 165 Y C 0.957 176.788 175.900 -0.116 0.000 1.146 165 Y CA -0.062 58.067 58.100 0.047 0.000 1.283 165 Y CB 0.400 38.891 38.460 0.052 0.000 1.090 165 Y HN 0.027 nan 8.280 nan 0.000 0.526 166 G N 1.352 110.069 108.800 -0.138 0.000 2.428 166 G HA2 0.142 4.102 3.960 -0.000 0.000 0.293 166 G HA3 0.142 4.102 3.960 -0.000 0.000 0.293 166 G C 0.799 175.357 174.900 -0.570 0.000 1.059 166 G CA -0.559 44.406 45.100 -0.226 0.000 1.194 166 G HN 0.520 nan 8.290 nan 0.000 0.435 167 R N 1.303 121.665 120.500 -0.230 0.000 2.241 167 R HA -0.107 4.233 4.340 -0.000 0.000 0.224 167 R C 2.166 178.452 176.300 -0.023 0.000 1.101 167 R CA 1.563 57.599 56.100 -0.107 0.000 0.995 167 R CB -0.704 29.663 30.300 0.112 0.000 0.870 167 R HN 0.507 nan 8.270 nan 0.000 0.463 168 T N -0.265 114.286 114.554 -0.005 0.000 2.770 168 T HA -0.083 4.267 4.350 -0.000 0.000 0.263 168 T C 2.141 176.814 174.700 -0.045 0.000 1.039 168 T CA 1.117 63.243 62.100 0.043 0.000 1.142 168 T CB -0.587 68.377 68.868 0.160 0.000 0.868 168 T HN 0.213 nan 8.240 nan 0.000 0.435 169 V N 0.081 119.925 119.914 -0.117 0.000 2.453 169 V HA -0.091 4.029 4.120 -0.000 0.000 0.247 169 V C 2.404 178.451 176.094 -0.077 0.000 1.048 169 V CA 1.537 63.744 62.300 -0.156 0.000 1.049 169 V CB -1.638 30.093 31.823 -0.152 0.000 0.672 169 V HN 0.591 nan 8.190 nan 0.000 0.457 170 H N 1.096 120.103 119.070 -0.105 0.000 2.319 170 H HA -0.140 4.416 4.556 -0.000 0.000 0.297 170 H C 2.642 177.947 175.328 -0.040 0.000 1.097 170 H CA 1.646 57.641 56.048 -0.088 0.000 1.285 170 H CB -0.071 29.701 29.762 0.017 0.000 1.368 170 H HN 0.490 nan 8.280 nan 0.000 0.495 171 S N 0.454 116.226 115.700 0.120 0.000 2.377 171 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 171 S C 2.088 176.710 174.600 0.037 0.000 1.030 171 S CA 0.568 58.819 58.200 0.086 0.000 0.970 171 S CB -0.157 63.102 63.200 0.098 0.000 0.830 171 S HN 0.141 nan 8.310 nan 0.000 0.473 172 L N 1.966 123.176 121.223 -0.021 0.000 2.056 172 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 172 L C 2.237 179.104 176.870 -0.005 0.000 1.078 172 L CA 1.809 56.623 54.840 -0.043 0.000 0.749 172 L CB -1.338 40.600 42.059 -0.201 0.000 0.901 172 L HN 0.210 nan 8.230 nan 0.000 0.433 173 T N -0.723 113.785 114.554 -0.077 0.000 2.720 173 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 173 T C 1.811 176.457 174.700 -0.089 0.000 1.037 173 T CA 1.789 63.785 62.100 -0.174 0.000 1.144 173 T CB -0.192 68.439 68.868 -0.395 0.000 0.864 173 T HN 0.481 nan 8.240 nan 0.000 0.444 174 Q N 0.435 120.210 119.800 -0.041 0.000 2.124 174 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 174 Q C 2.733 178.786 176.000 0.087 0.000 0.977 174 Q CA 1.314 57.126 55.803 0.015 0.000 0.850 174 Q CB -0.299 28.460 28.738 0.034 0.000 0.901 174 Q HN 0.563 nan 8.270 nan 0.000 0.429 175 A N 0.992 123.883 122.820 0.119 0.000 1.858 175 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 175 A C 2.057 179.844 177.584 0.340 0.000 1.190 175 A CA 1.093 53.249 52.037 0.199 0.000 0.617 175 A CB -0.676 18.434 19.000 0.183 0.000 0.827 175 A HN 0.280 nan 8.150 nan 0.000 0.443 176 L N -0.708 120.708 121.223 0.321 0.000 2.141 176 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 176 L C 2.966 180.104 176.870 0.446 0.000 1.094 176 L CA 0.778 55.861 54.840 0.405 0.000 0.763 176 L CB -0.476 41.796 42.059 0.354 0.000 0.908 176 L HN 0.437 nan 8.230 nan 0.000 0.437 177 A N 0.098 123.127 122.820 0.348 0.000 2.070 177 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 177 A C 2.134 179.825 177.584 0.178 0.000 1.159 177 A CA 1.385 53.578 52.037 0.260 0.000 0.656 177 A CB -0.321 18.751 19.000 0.120 0.000 0.800 177 A HN 0.334 nan 8.150 nan 0.000 0.453 178 K N -1.622 118.870 120.400 0.153 0.000 2.487 178 K HA 0.199 4.519 4.320 -0.000 0.000 0.192 178 K C -0.568 175.914 176.600 -0.195 0.000 1.027 178 K CA 0.038 56.303 56.287 -0.036 0.000 1.054 178 K CB -0.028 32.401 32.500 -0.119 0.000 0.824 178 K HN 0.503 nan 8.250 nan 0.000 0.510 179 F N 0.166 120.149 119.950 0.055 0.000 2.629 179 F HA 0.272 4.799 4.527 -0.000 0.000 0.386 179 F C 0.361 176.175 175.800 0.023 0.000 1.135 179 F CA -1.083 56.936 58.000 0.032 0.000 1.116 179 F CB 0.935 39.949 39.000 0.023 0.000 1.426 179 F HN -0.184 nan 8.300 nan 0.000 0.501 180 D N -0.610 119.925 120.400 0.224 0.000 2.248 180 D HA 0.375 5.015 4.640 -0.000 0.000 0.246 180 D C 0.392 176.717 176.300 0.041 0.000 1.027 180 D CA 0.138 54.199 54.000 0.101 0.000 0.853 180 D CB 1.629 42.469 40.800 0.066 0.000 1.243 180 D HN 0.770 nan 8.370 nan 0.000 0.462 181 G N 1.968 110.771 108.800 0.005 0.000 2.305 181 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.287 181 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.287 181 G C -0.055 174.752 174.900 -0.155 0.000 1.036 181 G CA -0.163 44.901 45.100 -0.060 0.000 0.887 181 G HN 0.455 nan 8.290 nan 0.000 0.505 182 N N -0.243 118.356 118.700 -0.170 0.000 2.455 182 N HA 0.512 5.252 4.740 -0.000 0.000 0.280 182 N C 0.373 175.561 175.510 -0.536 0.000 1.055 182 N CA -0.482 52.337 53.050 -0.385 0.000 0.961 182 N CB 1.517 39.764 38.487 -0.400 0.000 1.121 182 N HN 0.447 nan 8.380 nan 0.000 0.476 183 R N 1.572 121.672 120.500 -0.667 0.000 2.486 183 R HA 0.487 4.827 4.340 -0.000 0.000 0.286 183 R C -1.360 174.420 176.300 -0.866 0.000 0.999 183 R CA -0.141 55.581 56.100 -0.630 0.000 0.993 183 R CB 0.336 30.277 30.300 -0.598 0.000 1.084 183 R HN 0.392 nan 8.270 nan 0.000 0.487 184 F N 3.378 123.028 119.950 -0.500 0.000 2.520 184 F HA 0.443 4.970 4.527 -0.000 0.000 0.322 184 F C -0.904 174.371 175.800 -0.875 0.000 1.103 184 F CA -0.519 57.148 58.000 -0.555 0.000 0.926 184 F CB 1.687 40.442 39.000 -0.408 0.000 1.154 184 F HN 0.404 nan 8.300 nan 0.000 0.453 185 Y N 2.587 122.794 120.300 -0.156 0.000 2.350 185 Y HA 0.488 5.038 4.550 -0.000 0.000 0.338 185 Y C -0.920 174.997 175.900 0.030 0.000 0.961 185 Y CA -1.126 56.933 58.100 -0.068 0.000 1.100 185 Y CB 1.365 39.820 38.460 -0.008 0.000 1.179 185 Y HN 0.409 nan 8.280 nan 0.000 0.454 186 F N 4.745 124.924 119.950 0.382 0.000 2.325 186 F HA 0.489 5.016 4.527 -0.000 0.000 0.369 186 F C -0.229 175.640 175.800 0.114 0.000 1.095 186 F CA -0.785 57.318 58.000 0.173 0.000 1.082 186 F CB 0.765 39.816 39.000 0.086 0.000 1.289 186 F HN 0.290 nan 8.300 nan 0.000 0.462 187 I N 4.142 124.809 120.570 0.162 0.000 2.310 187 I HA 0.634 4.804 4.170 -0.000 0.000 0.287 187 I C -0.137 175.753 176.117 -0.379 0.000 1.073 187 I CA -0.187 61.022 61.300 -0.151 0.000 1.216 187 I CB 0.675 38.468 38.000 -0.345 0.000 1.415 187 I HN 0.635 nan 8.210 nan 0.000 0.480 188 A N 8.043 130.792 122.820 -0.117 0.000 2.605 188 A HA 0.783 5.103 4.320 -0.000 0.000 0.294 188 A C -2.887 174.841 177.584 0.240 0.000 1.062 188 A CA -1.119 50.937 52.037 0.031 0.000 0.682 188 A CB 1.495 20.505 19.000 0.017 0.000 1.278 188 A HN 0.364 nan 8.150 nan 0.000 0.410 189 P HA 0.136 nan 4.420 nan 0.000 0.272 189 P C -0.156 177.227 177.300 0.139 0.000 1.223 189 P CA 0.038 63.276 63.100 0.230 0.000 0.784 189 P CB 0.647 32.465 31.700 0.196 0.000 0.923 190 D N 1.811 122.280 120.400 0.114 0.000 2.149 190 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 190 D C 1.785 178.117 176.300 0.054 0.000 1.001 190 D CA 2.039 56.086 54.000 0.077 0.000 0.849 190 D CB -0.290 40.551 40.800 0.068 0.000 0.939 190 D HN 0.473 nan 8.370 nan 0.000 0.449 191 A N 0.514 123.374 122.820 0.066 0.000 2.015 191 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 191 A C 1.929 179.535 177.584 0.036 0.000 1.163 191 A CA 0.644 52.715 52.037 0.057 0.000 0.646 191 A CB -0.203 18.848 19.000 0.086 0.000 0.806 191 A HN 0.209 nan 8.150 nan 0.000 0.448 192 L N -0.196 121.054 121.223 0.046 0.000 3.154 192 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 192 L C 0.654 177.498 176.870 -0.043 0.000 1.300 192 L CA -0.513 54.331 54.840 0.006 0.000 1.028 192 L CB -0.029 42.084 42.059 0.089 0.000 1.412 192 L HN 0.290 nan 8.230 nan 0.000 0.564 193 A N 0.556 123.341 122.820 -0.059 0.000 2.425 193 A HA 0.333 4.653 4.320 -0.000 0.000 0.242 193 A C 0.263 177.722 177.584 -0.208 0.000 1.077 193 A CA -0.404 51.576 52.037 -0.094 0.000 0.781 193 A CB 0.318 19.286 19.000 -0.054 0.000 1.020 193 A HN 0.318 nan 8.150 nan 0.000 0.494 194 M N 2.051 121.459 119.600 -0.320 0.000 2.248 194 M HA 0.195 4.675 4.480 -0.000 0.000 0.343 194 M C -2.174 173.838 176.300 -0.480 0.000 1.243 194 M CA -1.294 53.697 55.300 -0.517 0.000 1.025 194 M CB -0.290 31.738 32.600 -0.953 0.000 1.759 194 M HN 0.371 nan 8.290 nan 0.000 0.452 195 P HA 0.165 nan 4.420 nan 0.000 0.277 195 P C -0.342 176.605 177.300 -0.587 0.000 1.240 195 P CA -0.355 62.407 63.100 -0.564 0.000 0.798 195 P CB 0.606 31.870 31.700 -0.727 0.000 0.979 196 Q N 2.002 121.589 119.800 -0.356 0.000 2.096 196 Q HA -0.239 4.101 4.340 -0.000 0.000 0.208 196 Q C 1.764 177.622 176.000 -0.238 0.000 0.993 196 Q CA 2.198 57.860 55.803 -0.235 0.000 0.862 196 Q CB -1.499 27.183 28.738 -0.095 0.000 0.915 196 Q HN 0.648 nan 8.270 nan 0.000 0.416 197 Y N -1.793 118.398 120.300 -0.182 0.000 2.556 197 Y HA -0.059 4.491 4.550 -0.000 0.000 0.290 197 Y C 1.339 177.116 175.900 -0.204 0.000 1.149 197 Y CA 0.504 58.504 58.100 -0.167 0.000 1.329 197 Y CB -0.260 38.106 38.460 -0.156 0.000 0.975 197 Y HN 0.106 nan 8.280 nan 0.000 0.561 198 I N 0.062 120.280 120.570 -0.586 0.000 2.731 198 I HA -0.081 4.089 4.170 -0.000 0.000 0.260 198 I C 2.228 178.090 176.117 -0.425 0.000 1.138 198 I CA 0.538 61.538 61.300 -0.500 0.000 1.461 198 I CB -0.752 36.820 38.000 -0.714 0.000 1.128 198 I HN 0.353 nan 8.210 nan 0.000 0.438 199 L N 0.450 121.380 121.223 -0.488 0.000 2.027 199 L HA -0.206 4.134 4.340 -0.000 0.000 0.206 199 L C 2.172 178.976 176.870 -0.110 0.000 1.074 199 L CA 1.386 55.932 54.840 -0.490 0.000 0.745 199 L CB -0.780 40.973 42.059 -0.510 0.000 0.898 199 L HN 0.137 nan 8.230 nan 0.000 0.433 200 D N -0.130 120.236 120.400 -0.057 0.000 2.133 200 D HA -0.244 4.396 4.640 -0.000 0.000 0.195 200 D C 2.123 178.440 176.300 0.029 0.000 0.997 200 D CA 1.236 55.252 54.000 0.027 0.000 0.840 200 D CB -0.192 40.621 40.800 0.022 0.000 0.947 200 D HN 0.169 nan 8.370 nan 0.000 0.452 201 M N 0.106 119.699 119.600 -0.011 0.000 2.213 201 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 201 M C 1.783 178.093 176.300 0.017 0.000 1.062 201 M CA 1.132 56.432 55.300 0.001 0.000 1.105 201 M CB -0.300 32.292 32.600 -0.014 0.000 1.385 201 M HN 0.052 nan 8.290 nan 0.000 0.417 202 L N -0.050 121.174 121.223 0.002 0.000 2.044 202 L HA -0.221 4.118 4.340 -0.000 0.000 0.205 202 L C 2.155 179.138 176.870 0.189 0.000 1.075 202 L CA 1.163 56.056 54.840 0.090 0.000 0.747 202 L CB -1.027 41.063 42.059 0.052 0.000 0.903 202 L HN 0.211 nan 8.230 nan 0.000 0.435 203 D N 0.268 120.808 120.400 0.232 0.000 2.133 203 D HA -0.252 4.388 4.640 -0.000 0.000 0.192 203 D C 2.017 178.384 176.300 0.111 0.000 1.001 203 D CA 1.407 55.524 54.000 0.196 0.000 0.844 203 D CB -0.168 40.740 40.800 0.181 0.000 0.944 203 D HN 0.238 nan 8.370 nan 0.000 0.447 204 E N 0.168 120.418 120.200 0.084 0.000 2.273 204 E HA -0.140 4.209 4.350 -0.000 0.000 0.198 204 E C 1.252 177.885 176.600 0.054 0.000 1.002 204 E CA 1.031 57.465 56.400 0.056 0.000 0.828 204 E CB 0.095 29.820 29.700 0.041 0.000 0.747 204 E HN 0.268 nan 8.360 nan 0.000 0.491 205 K N -1.460 118.983 120.400 0.071 0.000 2.387 205 K HA 0.223 4.543 4.320 -0.000 0.000 0.203 205 K C 0.413 177.056 176.600 0.072 0.000 1.030 205 K CA 0.410 56.736 56.287 0.066 0.000 1.099 205 K CB 1.150 33.695 32.500 0.075 0.000 0.863 205 K HN 0.128 nan 8.250 nan 0.000 0.529 206 G N 2.902 111.750 108.800 0.079 0.000 2.371 206 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.299 206 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.299 206 G C -0.010 174.938 174.900 0.079 0.000 1.014 206 G CA -0.006 45.132 45.100 0.064 0.000 1.097 206 G HN 0.214 nan 8.290 nan 0.000 0.512 207 I N 0.299 120.958 120.570 0.147 0.000 2.385 207 I HA 0.551 4.721 4.170 -0.000 0.000 0.294 207 I C 0.938 177.170 176.117 0.192 0.000 0.988 207 I CA -0.640 60.775 61.300 0.191 0.000 1.265 207 I CB 1.535 39.724 38.000 0.315 0.000 1.388 207 I HN 0.386 nan 8.210 nan 0.000 0.480 208 A N 8.575 131.443 122.820 0.080 0.000 2.362 208 A HA 0.545 4.865 4.320 -0.000 0.000 0.276 208 A C -0.601 177.014 177.584 0.052 0.000 1.153 208 A CA -0.335 51.680 52.037 -0.037 0.000 0.813 208 A CB 0.337 19.271 19.000 -0.111 0.000 1.081 208 A HN 0.846 nan 8.150 nan 0.000 0.507 209 W N 0.990 122.221 121.300 -0.116 0.000 3.213 209 W HA 0.658 5.318 4.660 -0.000 0.000 0.318 209 W C -1.025 175.365 176.519 -0.216 0.000 1.248 209 W CA -0.314 56.879 57.345 -0.253 0.000 1.187 209 W CB 0.840 30.158 29.460 -0.237 0.000 1.403 209 W HN 1.236 nan 8.180 nan 0.000 0.556 210 S N 1.369 117.098 115.700 0.049 0.000 2.552 210 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 210 S C -1.273 173.375 174.600 0.081 0.000 1.150 210 S CA -1.085 57.123 58.200 0.013 0.000 0.849 210 S CB 1.635 64.769 63.200 -0.109 0.000 1.113 210 S HN 0.580 nan 8.310 nan 0.000 0.458 211 L N 3.017 124.252 121.223 0.021 0.000 2.326 211 L HA 0.593 4.933 4.340 -0.000 0.000 0.278 211 L C 0.128 176.789 176.870 -0.348 0.000 1.092 211 L CA -0.504 54.357 54.840 0.036 0.000 0.810 211 L CB 0.341 42.490 42.059 0.150 0.000 1.153 211 L HN 0.697 nan 8.230 nan 0.000 0.439 212 H N 0.750 119.919 119.070 0.164 0.000 2.865 212 H HA 0.274 4.830 4.556 -0.000 0.000 0.372 212 H C -0.202 175.211 175.328 0.143 0.000 1.173 212 H CA -0.565 55.559 56.048 0.126 0.000 1.147 212 H CB 2.288 32.105 29.762 0.091 0.000 1.805 212 H HN 0.612 nan 8.280 nan 0.000 0.553 213 S N -0.430 115.437 115.700 0.278 0.000 2.578 213 S HA 0.177 4.647 4.470 -0.000 0.000 0.231 213 S C 0.276 175.125 174.600 0.415 0.000 0.994 213 S CA -0.307 58.097 58.200 0.340 0.000 0.956 213 S CB 0.118 63.457 63.200 0.232 0.000 0.870 213 S HN 0.580 nan 8.310 nan 0.000 0.494 214 S N 0.190 116.073 115.700 0.305 0.000 2.547 214 S HA 0.573 5.043 4.470 -0.000 0.000 0.270 214 S C 0.379 175.055 174.600 0.126 0.000 1.150 214 S CA -0.917 57.438 58.200 0.259 0.000 0.850 214 S CB 0.516 63.813 63.200 0.162 0.000 1.118 214 S HN -0.049 nan 8.310 nan 0.000 0.461 215 I N 0.980 121.619 120.570 0.114 0.000 2.315 215 I HA -0.046 4.124 4.170 -0.000 0.000 0.248 215 I C 2.594 178.672 176.117 -0.065 0.000 1.117 215 I CA 1.375 62.676 61.300 0.001 0.000 1.404 215 I CB -1.430 36.587 38.000 0.029 0.000 1.071 215 I HN 0.809 nan 8.210 nan 0.000 0.419 216 E N 1.656 121.846 120.200 -0.016 0.000 2.070 216 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 216 E C 2.044 178.588 176.600 -0.094 0.000 1.004 216 E CA 1.527 57.901 56.400 -0.043 0.000 0.805 216 E CB -0.190 29.522 29.700 0.019 0.000 0.744 216 E HN 0.462 nan 8.360 nan 0.000 0.451 217 E N -0.753 119.400 120.200 -0.077 0.000 2.147 217 E HA -0.208 4.141 4.350 -0.000 0.000 0.199 217 E C 1.873 178.308 176.600 -0.276 0.000 1.005 217 E CA 1.846 58.176 56.400 -0.116 0.000 0.810 217 E CB -0.097 29.578 29.700 -0.041 0.000 0.736 217 E HN 0.385 nan 8.360 nan 0.000 0.460 218 V N -2.642 117.024 119.914 -0.413 0.000 3.528 218 V HA 0.126 4.246 4.120 -0.000 0.000 0.294 218 V C 1.777 177.610 176.094 -0.435 0.000 1.404 218 V CA 0.179 62.108 62.300 -0.618 0.000 1.065 218 V CB 0.430 31.561 31.823 -1.153 0.000 0.904 218 V HN 0.054 nan 8.190 nan 0.000 0.435 219 M N 2.778 122.198 119.600 -0.299 0.000 2.108 219 M HA -0.104 4.376 4.480 -0.000 0.000 0.257 219 M C 2.042 178.189 176.300 -0.255 0.000 1.071 219 M CA 2.643 57.792 55.300 -0.252 0.000 1.093 219 M CB -0.783 31.684 32.600 -0.223 0.000 1.345 219 M HN 0.504 nan 8.290 nan 0.000 0.403 220 A N -1.110 121.565 122.820 -0.241 0.000 1.929 220 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 220 A C 2.029 179.479 177.584 -0.224 0.000 1.176 220 A CA 1.742 53.654 52.037 -0.209 0.000 0.628 220 A CB -0.651 18.249 19.000 -0.167 0.000 0.816 220 A HN 0.671 nan 8.150 nan 0.000 0.444 221 E N 0.036 120.073 120.200 -0.272 0.000 2.122 221 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 221 E C 0.812 177.223 176.600 -0.314 0.000 0.977 221 E CA 0.467 56.666 56.400 -0.336 0.000 0.820 221 E CB -0.243 29.267 29.700 -0.317 0.000 0.770 221 E HN 0.555 nan 8.360 nan 0.000 0.462 222 V N 0.509 120.286 119.914 -0.228 0.000 2.788 222 V HA -0.067 4.053 4.120 -0.000 0.000 0.307 222 V C 0.379 176.430 176.094 -0.071 0.000 1.069 222 V CA 0.429 62.678 62.300 -0.085 0.000 1.173 222 V CB 0.983 32.736 31.823 -0.116 0.000 0.925 222 V HN 0.044 nan 8.190 nan 0.000 0.492 223 D N 2.591 122.997 120.400 0.010 0.000 2.463 223 D HA 0.263 4.903 4.640 -0.000 0.000 0.237 223 D C 0.209 176.501 176.300 -0.012 0.000 1.013 223 D CA 0.674 54.666 54.000 -0.014 0.000 0.910 223 D CB 0.915 41.725 40.800 0.016 0.000 1.080 223 D HN 0.447 nan 8.370 nan 0.000 0.498 224 I N 2.192 122.779 120.570 0.028 0.000 2.468 224 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 224 I C -0.938 175.237 176.117 0.098 0.000 1.039 224 I CA -0.717 60.620 61.300 0.063 0.000 1.074 224 I CB 2.402 40.453 38.000 0.085 0.000 1.228 224 I HN -0.125 nan 8.210 nan 0.000 0.436 225 L N 8.738 130.015 121.223 0.089 0.000 2.277 225 L HA 0.379 4.719 4.340 -0.000 0.000 0.284 225 L C -1.335 175.624 176.870 0.149 0.000 1.028 225 L CA -0.368 54.526 54.840 0.090 0.000 0.835 225 L CB 0.696 42.769 42.059 0.023 0.000 1.215 225 L HN 0.406 nan 8.230 nan 0.000 0.425 226 Y N 6.311 126.633 120.300 0.037 0.000 2.504 226 Y HA 0.526 5.076 4.550 -0.000 0.000 0.339 226 Y C -0.397 175.465 175.900 -0.063 0.000 0.974 226 Y CA -0.899 57.210 58.100 0.014 0.000 1.232 226 Y CB 0.660 39.146 38.460 0.044 0.000 1.108 226 Y HN 0.488 nan 8.280 nan 0.000 0.509 227 M N 4.668 124.125 119.600 -0.239 0.000 2.250 227 M HA 0.311 4.791 4.480 -0.000 0.000 0.344 227 M C 0.188 176.044 176.300 -0.740 0.000 1.150 227 M CA -0.107 54.992 55.300 -0.334 0.000 1.147 227 M CB 0.949 33.403 32.600 -0.245 0.000 1.498 227 M HN 0.689 nan 8.290 nan 0.000 0.461 228 T N -0.013 114.269 114.554 -0.454 0.000 2.906 228 T HA 0.680 5.029 4.350 -0.000 0.000 0.295 228 T C -0.449 174.177 174.700 -0.124 0.000 1.075 228 T CA -1.137 60.721 62.100 -0.404 0.000 1.005 228 T CB 2.583 71.393 68.868 -0.096 0.000 1.136 228 T HN 0.756 nan 8.240 nan 0.000 0.498 229 R N 1.409 121.936 120.500 0.045 0.000 2.457 229 R HA 0.591 4.931 4.340 -0.000 0.000 0.284 229 R C -0.710 175.645 176.300 0.092 0.000 1.024 229 R CA -0.664 55.517 56.100 0.135 0.000 1.025 229 R CB 0.930 31.333 30.300 0.172 0.000 1.063 229 R HN 0.597 nan 8.270 nan 0.000 0.493 230 V N 4.020 123.987 119.914 0.089 0.000 2.572 230 V HA -0.018 4.102 4.120 -0.000 0.000 0.291 230 V C 0.316 176.450 176.094 0.067 0.000 1.039 230 V CA 0.134 62.489 62.300 0.091 0.000 1.055 230 V CB 1.195 33.068 31.823 0.083 0.000 0.969 230 V HN 0.777 nan 8.190 nan 0.000 0.482 231 Q N 4.033 123.880 119.800 0.078 0.000 3.184 231 Q HA 0.089 4.429 4.340 -0.000 0.000 0.288 231 Q C 1.587 177.555 176.000 -0.053 0.000 1.412 231 Q CA 0.012 55.828 55.803 0.021 0.000 0.991 231 Q CB 0.010 28.766 28.738 0.029 0.000 1.688 231 Q HN 0.785 nan 8.270 nan 0.000 0.554 232 K N -0.461 119.910 120.400 -0.047 0.000 2.127 232 K HA -0.294 4.026 4.320 -0.000 0.000 0.208 232 K C 0.648 177.184 176.600 -0.108 0.000 1.047 232 K CA 1.907 58.134 56.287 -0.099 0.000 0.927 232 K CB 0.012 32.443 32.500 -0.115 0.000 0.716 232 K HN 0.247 nan 8.250 nan 0.000 0.450 233 E N 0.706 120.858 120.200 -0.081 0.000 2.204 233 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 233 E C 1.948 178.480 176.600 -0.112 0.000 0.990 233 E CA 1.012 57.371 56.400 -0.069 0.000 0.821 233 E CB -0.043 29.634 29.700 -0.039 0.000 0.750 233 E HN 0.322 nan 8.360 nan 0.000 0.477 234 R N 0.407 120.772 120.500 -0.225 0.000 2.210 234 R HA 0.157 4.497 4.340 -0.000 0.000 0.203 234 R C 0.596 176.539 176.300 -0.594 0.000 1.010 234 R CA 0.065 55.894 56.100 -0.452 0.000 1.008 234 R CB -0.483 29.371 30.300 -0.744 0.000 0.923 234 R HN 0.238 nan 8.270 nan 0.000 0.469 235 L N 1.961 122.966 121.223 -0.362 0.000 2.559 235 L HA 0.007 4.347 4.340 -0.000 0.000 0.282 235 L C 0.703 177.653 176.870 0.132 0.000 1.232 235 L CA -0.179 54.629 54.840 -0.054 0.000 0.885 235 L CB 0.097 42.266 42.059 0.183 0.000 1.131 235 L HN 0.060 nan 8.230 nan 0.000 0.498 236 A N 5.684 128.582 122.820 0.130 0.000 2.340 236 A HA 0.536 4.856 4.320 -0.000 0.000 0.268 236 A C -2.265 175.226 177.584 -0.156 0.000 1.100 236 A CA -1.486 50.572 52.037 0.035 0.000 0.803 236 A CB 0.138 19.172 19.000 0.058 0.000 1.043 236 A HN 0.492 nan 8.150 nan 0.000 0.488 237 P HA 0.173 nan 4.420 nan 0.000 0.271 237 P C 0.163 177.149 177.300 -0.523 0.000 1.380 237 P CA 0.804 63.213 63.100 -1.153 0.000 0.992 237 P CB 0.423 31.669 31.700 -0.757 0.000 1.230 238 S N 1.181 116.677 115.700 -0.339 0.000 4.435 238 S HA -0.034 4.436 4.470 -0.000 0.000 0.064 238 S C 0.526 175.143 174.600 0.028 0.000 0.851 238 S CA -0.412 57.728 58.200 -0.099 0.000 1.082 238 S CB -1.332 61.828 63.200 -0.067 0.000 0.589 238 S HN 0.306 nan 8.310 nan 0.000 0.782 239 E N 0.122 120.390 120.200 0.112 0.000 2.630 239 E HA 0.344 4.694 4.350 -0.000 0.000 0.218 239 E C 0.241 177.029 176.600 0.313 0.000 0.977 239 E CA -0.389 56.133 56.400 0.203 0.000 1.038 239 E CB 0.058 29.904 29.700 0.243 0.000 1.051 239 E HN 0.665 nan 8.360 nan 0.000 0.487 240 Y N 0.853 121.181 120.300 0.046 0.000 2.483 240 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 240 Y C 2.456 178.376 175.900 0.034 0.000 1.143 240 Y CA 0.274 58.395 58.100 0.034 0.000 1.289 240 Y CB 0.088 38.562 38.460 0.023 0.000 0.983 240 Y HN 0.177 nan 8.280 nan 0.000 0.556 241 A N 0.165 123.100 122.820 0.191 0.000 2.121 241 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 241 A C 1.481 179.115 177.584 0.084 0.000 1.154 241 A CA 1.074 53.177 52.037 0.110 0.000 0.679 241 A CB -0.339 18.714 19.000 0.088 0.000 0.795 241 A HN 0.448 nan 8.150 nan 0.000 0.458 242 N N -0.311 118.451 118.700 0.104 0.000 2.235 242 N HA 0.037 4.777 4.740 -0.000 0.000 0.209 242 N C 1.232 176.783 175.510 0.069 0.000 1.122 242 N CA 0.400 53.504 53.050 0.091 0.000 0.845 242 N CB 0.765 39.327 38.487 0.125 0.000 1.004 242 N HN 0.259 nan 8.380 nan 0.000 0.499 243 V N 1.075 121.008 119.914 0.031 0.000 2.343 243 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 243 V C 1.141 177.235 176.094 -0.000 0.000 1.051 243 V CA 1.581 63.868 62.300 -0.021 0.000 1.036 243 V CB -0.132 31.627 31.823 -0.107 0.000 0.654 243 V HN 0.200 nan 8.190 nan 0.000 0.451 244 K N 0.722 121.125 120.400 0.005 0.000 2.298 244 K HA 0.433 4.753 4.320 -0.000 0.000 0.280 244 K C 0.063 176.678 176.600 0.024 0.000 1.032 244 K CA 0.162 56.453 56.287 0.007 0.000 0.958 244 K CB 1.004 33.502 32.500 -0.003 0.000 0.978 244 K HN 0.412 nan 8.250 nan 0.000 0.472 245 A N 3.520 126.361 122.820 0.034 0.000 2.548 245 A HA -0.043 4.277 4.320 -0.000 0.000 0.247 245 A C 0.784 178.377 177.584 0.015 0.000 1.067 245 A CA 0.150 52.226 52.037 0.065 0.000 0.757 245 A CB 0.335 19.381 19.000 0.077 0.000 0.996 245 A HN 1.022 nan 8.150 nan 0.000 0.504 246 Q N 1.049 120.850 119.800 0.002 0.000 2.354 246 Q HA 0.141 4.480 4.340 -0.000 0.000 0.203 246 Q C -1.057 174.576 176.000 -0.612 0.000 0.933 246 Q CA 0.655 56.270 55.803 -0.313 0.000 0.901 246 Q CB 0.186 28.669 28.738 -0.427 0.000 1.007 246 Q HN 0.750 nan 8.270 nan 0.000 0.495 247 F N 0.118 120.091 119.950 0.039 0.000 2.507 247 F HA 0.422 4.949 4.527 -0.000 0.000 0.328 247 F C -0.770 175.048 175.800 0.030 0.000 1.136 247 F CA -1.092 56.931 58.000 0.037 0.000 0.930 247 F CB 1.726 40.752 39.000 0.044 0.000 1.166 247 F HN -0.379 nan 8.300 nan 0.000 0.436 248 V N 4.768 124.771 119.914 0.148 0.000 2.378 248 V HA 0.337 4.457 4.120 -0.000 0.000 0.288 248 V C -0.514 175.638 176.094 0.097 0.000 1.016 248 V CA -0.725 61.636 62.300 0.101 0.000 0.840 248 V CB 1.668 33.524 31.823 0.055 0.000 0.994 248 V HN 0.595 nan 8.190 nan 0.000 0.431 249 L N 6.220 127.496 121.223 0.089 0.000 2.319 249 L HA 0.505 4.845 4.340 -0.000 0.000 0.280 249 L C 0.199 177.113 176.870 0.074 0.000 1.099 249 L CA 0.638 55.526 54.840 0.079 0.000 0.828 249 L CB 0.514 42.615 42.059 0.069 0.000 1.150 249 L HN 0.639 nan 8.230 nan 0.000 0.442 250 R N 2.865 123.411 120.500 0.077 0.000 2.787 250 R HA 0.631 4.971 4.340 -0.000 0.000 0.271 250 R C 0.867 177.222 176.300 0.092 0.000 0.993 250 R CA -0.000 56.146 56.100 0.077 0.000 0.993 250 R CB 1.725 32.066 30.300 0.068 0.000 1.155 250 R HN 0.797 nan 8.270 nan 0.000 0.486 251 A N 0.617 123.494 122.820 0.094 0.000 2.125 251 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 251 A C 1.612 179.264 177.584 0.114 0.000 1.156 251 A CA 1.844 53.946 52.037 0.108 0.000 0.671 251 A CB -0.429 18.628 19.000 0.095 0.000 0.794 251 A HN 0.761 nan 8.150 nan 0.000 0.459 252 S N -0.366 115.397 115.700 0.105 0.000 2.496 252 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 252 S C 0.724 175.444 174.600 0.199 0.000 0.996 252 S CA 0.760 59.032 58.200 0.120 0.000 0.927 252 S CB -0.164 63.081 63.200 0.076 0.000 0.774 252 S HN 0.519 nan 8.310 nan 0.000 0.524 253 D N 1.479 121.974 120.400 0.159 0.000 2.340 253 D HA 0.186 4.826 4.640 -0.000 0.000 0.220 253 D C 1.024 177.353 176.300 0.049 0.000 1.039 253 D CA 0.300 54.390 54.000 0.150 0.000 0.866 253 D CB 0.060 40.912 40.800 0.086 0.000 0.913 253 D HN 0.436 nan 8.370 nan 0.000 0.523 254 L N 0.556 121.829 121.223 0.084 0.000 2.653 254 L HA 0.101 4.441 4.340 -0.000 0.000 0.231 254 L C 1.868 178.757 176.870 0.030 0.000 1.153 254 L CA -0.110 54.745 54.840 0.026 0.000 0.933 254 L CB -0.361 41.796 42.059 0.164 0.000 1.175 254 L HN 0.080 nan 8.230 nan 0.000 0.473 255 H N -0.170 118.925 119.070 0.042 0.000 2.290 255 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 255 H C 1.098 176.441 175.328 0.026 0.000 1.087 255 H CA 1.497 57.568 56.048 0.038 0.000 1.291 255 H CB -0.480 29.297 29.762 0.023 0.000 1.369 255 H HN 0.358 nan 8.280 nan 0.000 0.492 256 N N 1.402 119.789 118.700 -0.522 0.000 3.322 256 N HA 0.354 5.094 4.740 -0.000 0.000 0.290 256 N C -1.143 174.220 175.510 -0.244 0.000 1.297 256 N CA 0.070 52.953 53.050 -0.277 0.000 1.167 256 N CB 0.564 38.875 38.487 -0.294 0.000 1.434 256 N HN 0.635 nan 8.380 nan 0.000 0.526 257 A N 0.935 123.662 122.820 -0.155 0.000 2.331 257 A HA 0.411 4.731 4.320 -0.000 0.000 0.320 257 A C 0.101 177.614 177.584 -0.118 0.000 1.138 257 A CA -0.922 50.993 52.037 -0.203 0.000 0.790 257 A CB 1.049 19.828 19.000 -0.369 0.000 1.206 257 A HN 0.408 nan 8.150 nan 0.000 0.470 258 K N 1.893 122.209 120.400 -0.140 0.000 2.466 258 K HA 0.110 4.430 4.320 -0.000 0.000 0.278 258 K C 1.382 177.977 176.600 -0.009 0.000 1.048 258 K CA 0.497 56.735 56.287 -0.081 0.000 1.088 258 K CB 0.453 32.891 32.500 -0.104 0.000 0.884 258 K HN 0.836 nan 8.250 nan 0.000 0.478 259 A N 4.295 127.141 122.820 0.044 0.000 2.084 259 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 259 A C 1.615 179.256 177.584 0.096 0.000 1.161 259 A CA 1.941 54.046 52.037 0.114 0.000 0.653 259 A CB -0.499 18.526 19.000 0.042 0.000 0.802 259 A HN 0.969 nan 8.150 nan 0.000 0.457 260 N N -0.879 117.833 118.700 0.020 0.000 2.376 260 N HA -0.047 4.693 4.740 -0.000 0.000 0.177 260 N C 1.040 176.537 175.510 -0.021 0.000 1.024 260 N CA 0.437 53.473 53.050 -0.024 0.000 0.893 260 N CB -0.501 37.955 38.487 -0.052 0.000 0.980 260 N HN 0.417 nan 8.380 nan 0.000 0.439 261 M N 1.652 121.238 119.600 -0.024 0.000 2.240 261 M HA -0.038 4.442 4.480 -0.000 0.000 0.346 261 M C -0.669 175.639 176.300 0.013 0.000 1.236 261 M CA 0.845 56.101 55.300 -0.074 0.000 0.986 261 M CB 0.222 32.693 32.600 -0.216 0.000 1.786 261 M HN -0.012 nan 8.290 nan 0.000 0.457 262 K N 3.884 124.281 120.400 -0.005 0.000 2.385 262 K HA 0.599 4.919 4.320 -0.000 0.000 0.248 262 K C -1.448 175.219 176.600 0.111 0.000 0.955 262 K CA -0.724 55.605 56.287 0.069 0.000 0.816 262 K CB 2.155 34.636 32.500 -0.033 0.000 1.250 262 K HN 0.550 nan 8.250 nan 0.000 0.434 263 V N 3.755 123.792 119.914 0.205 0.000 2.370 263 V HA 0.469 4.589 4.120 -0.000 0.000 0.279 263 V C 0.015 176.298 176.094 0.314 0.000 1.029 263 V CA -0.753 61.685 62.300 0.230 0.000 0.870 263 V CB 1.000 32.996 31.823 0.290 0.000 0.984 263 V HN 0.466 nan 8.190 nan 0.000 0.451 264 L N 4.360 125.704 121.223 0.202 0.000 2.323 264 L HA 0.739 5.079 4.340 -0.000 0.000 0.265 264 L C -0.795 175.989 176.870 -0.143 0.000 1.012 264 L CA -0.783 54.140 54.840 0.137 0.000 0.820 264 L CB 2.245 44.392 42.059 0.147 0.000 1.334 264 L HN 0.608 nan 8.230 nan 0.000 0.427 265 H N 2.522 121.411 119.070 -0.302 0.000 3.154 265 H HA 0.192 4.748 4.556 -0.000 0.000 0.330 265 H C -2.489 172.643 175.328 -0.326 0.000 1.033 265 H CA -1.249 54.522 56.048 -0.462 0.000 1.393 265 H CB 3.024 32.517 29.762 -0.448 0.000 1.951 265 H HN 0.237 nan 8.280 nan 0.000 0.466 266 P HA -0.041 nan 4.420 nan 0.000 0.225 266 P C 0.045 177.438 177.300 0.155 0.000 1.148 266 P CA 0.421 63.560 63.100 0.066 0.000 0.779 266 P CB 1.034 32.786 31.700 0.087 0.000 0.780 267 L N -2.093 119.302 121.223 0.287 0.000 0.588 267 L HA -0.115 4.225 4.340 -0.000 0.000 0.356 267 L C -2.133 174.775 176.870 0.064 0.000 0.998 267 L CA -0.659 54.160 54.840 -0.036 0.000 1.223 267 L CB -1.781 40.236 42.059 -0.070 0.000 0.010 267 L HN 0.084 nan 8.230 nan 0.000 0.092 268 P HA 0.260 nan 4.420 nan 0.000 0.274 268 P C -1.359 175.805 177.300 -0.227 0.000 1.237 268 P CA -0.447 62.594 63.100 -0.098 0.000 0.793 268 P CB 0.887 32.572 31.700 -0.026 0.000 0.977 269 R N 0.516 120.780 120.500 -0.392 0.000 2.604 269 R HA 0.557 4.897 4.340 -0.000 0.000 0.287 269 R C 0.113 176.332 176.300 -0.135 0.000 0.970 269 R CA -0.946 54.920 56.100 -0.390 0.000 0.946 269 R CB 0.884 30.819 30.300 -0.608 0.000 1.127 269 R HN 0.118 nan 8.270 nan 0.000 0.473 270 V N 0.623 120.511 119.914 -0.045 0.000 2.804 270 V HA -0.036 4.084 4.120 -0.000 0.000 0.218 270 V C 0.893 176.975 176.094 -0.019 0.000 1.159 270 V CA 1.237 63.524 62.300 -0.020 0.000 1.223 270 V CB -0.054 31.771 31.823 0.004 0.000 0.917 270 V HN 1.059 nan 8.190 nan 0.000 0.510 271 D N -0.419 119.983 120.400 0.003 0.000 2.500 271 D HA -0.061 4.579 4.640 -0.000 0.000 0.217 271 D C 1.494 177.807 176.300 0.022 0.000 1.159 271 D CA 0.361 54.366 54.000 0.007 0.000 0.828 271 D CB -0.379 40.429 40.800 0.013 0.000 1.039 271 D HN 0.568 nan 8.370 nan 0.000 0.512 272 E N 1.394 121.620 120.200 0.043 0.000 2.396 272 E HA -0.119 4.231 4.350 -0.000 0.000 0.200 272 E C 0.475 177.100 176.600 0.043 0.000 1.023 272 E CA 0.466 56.909 56.400 0.072 0.000 0.857 272 E CB -0.012 29.756 29.700 0.114 0.000 0.775 272 E HN 0.424 nan 8.360 nan 0.000 0.525 273 I N 1.496 122.059 120.570 -0.012 0.000 2.542 273 I HA 0.295 4.465 4.170 -0.000 0.000 0.278 273 I C -0.228 175.875 176.117 -0.022 0.000 1.069 273 I CA -0.962 60.310 61.300 -0.046 0.000 1.100 273 I CB 1.554 39.430 38.000 -0.207 0.000 1.204 273 I HN -0.046 nan 8.210 nan 0.000 0.470 274 A N 3.505 126.341 122.820 0.026 0.000 2.587 274 A HA 0.107 4.427 4.320 -0.000 0.000 0.233 274 A C 1.627 179.250 177.584 0.064 0.000 1.049 274 A CA 0.686 52.748 52.037 0.042 0.000 0.754 274 A CB 0.092 19.123 19.000 0.052 0.000 0.977 274 A HN 0.867 nan 8.150 nan 0.000 0.509 275 T N -0.491 114.103 114.554 0.067 0.000 2.929 275 T HA -0.188 4.162 4.350 -0.000 0.000 0.271 275 T C 0.922 175.686 174.700 0.107 0.000 1.085 275 T CA 1.592 63.750 62.100 0.098 0.000 1.125 275 T CB -0.601 68.315 68.868 0.081 0.000 0.874 275 T HN 0.839 nan 8.240 nan 0.000 0.494 276 D N 1.281 121.733 120.400 0.086 0.000 2.310 276 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 276 D C 1.720 178.083 176.300 0.104 0.000 0.965 276 D CA 0.193 54.242 54.000 0.083 0.000 0.879 276 D CB -0.651 40.188 40.800 0.067 0.000 0.921 276 D HN 0.409 nan 8.370 nan 0.000 0.510 277 V N 0.821 120.813 119.914 0.130 0.000 2.871 277 V HA -0.132 3.988 4.120 -0.000 0.000 0.256 277 V C 1.418 177.631 176.094 0.198 0.000 1.082 277 V CA 1.407 63.807 62.300 0.166 0.000 1.105 277 V CB -0.401 31.534 31.823 0.187 0.000 0.713 277 V HN 0.071 nan 8.190 nan 0.000 0.473 278 D N 0.353 120.882 120.400 0.215 0.000 2.182 278 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 278 D C 2.160 178.524 176.300 0.108 0.000 0.986 278 D CA 1.103 55.225 54.000 0.204 0.000 0.847 278 D CB -0.119 40.839 40.800 0.264 0.000 0.942 278 D HN 0.360 nan 8.370 nan 0.000 0.467 279 K N 0.265 120.721 120.400 0.093 0.000 2.243 279 K HA 0.013 4.333 4.320 -0.000 0.000 0.201 279 K C 0.935 177.561 176.600 0.044 0.000 1.051 279 K CA 0.274 56.596 56.287 0.058 0.000 0.970 279 K CB -0.026 32.504 32.500 0.050 0.000 0.755 279 K HN 0.301 nan 8.250 nan 0.000 0.465 280 T N 0.692 115.281 114.554 0.058 0.000 2.906 280 T HA 0.040 4.390 4.350 -0.000 0.000 0.320 280 T C -1.523 173.176 174.700 -0.002 0.000 1.088 280 T CA -1.187 60.931 62.100 0.031 0.000 1.120 280 T CB 0.836 69.753 68.868 0.082 0.000 1.000 280 T HN -0.034 nan 8.240 nan 0.000 0.550 281 P HA -0.013 nan 4.420 nan 0.000 0.242 281 P C 0.723 177.970 177.300 -0.088 0.000 1.197 281 P CA 0.699 63.736 63.100 -0.106 0.000 0.765 281 P CB -0.006 31.582 31.700 -0.186 0.000 0.936 282 H N -0.147 118.978 119.070 0.091 0.000 2.539 282 H HA 0.324 4.880 4.556 -0.000 0.000 0.269 282 H C 0.791 176.201 175.328 0.137 0.000 0.980 282 H CA -0.243 55.860 56.048 0.091 0.000 1.152 282 H CB -0.053 29.749 29.762 0.066 0.000 1.407 282 H HN 0.096 nan 8.280 nan 0.000 0.564 283 A N 0.577 123.506 122.820 0.181 0.000 2.396 283 A HA 0.088 4.408 4.320 -0.000 0.000 0.279 283 A C 0.274 177.833 177.584 -0.041 0.000 1.165 283 A CA -0.239 51.773 52.037 -0.043 0.000 0.824 283 A CB -0.216 18.694 19.000 -0.150 0.000 1.100 283 A HN 0.644 nan 8.150 nan 0.000 0.516 284 W N 3.502 124.552 121.300 -0.417 0.000 1.780 284 W HA 0.047 4.707 4.660 -0.000 0.000 0.256 284 W C 0.176 176.554 176.519 -0.234 0.000 0.844 284 W CA 0.092 57.290 57.345 -0.246 0.000 1.227 284 W CB 0.262 29.695 29.460 -0.046 0.000 1.006 284 W HN 1.057 nan 8.180 nan 0.000 0.493 285 Y N -1.393 118.841 120.300 -0.109 0.000 2.274 285 Y HA -0.082 4.468 4.550 -0.000 0.000 0.290 285 Y C 1.958 177.695 175.900 -0.271 0.000 1.145 285 Y CA 1.169 59.136 58.100 -0.223 0.000 1.203 285 Y CB -1.744 36.496 38.460 -0.366 0.000 0.984 285 Y HN -0.192 nan 8.280 nan 0.000 0.533 286 F N 0.492 120.313 119.950 -0.215 0.000 2.163 286 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 286 F C 2.351 178.000 175.800 -0.252 0.000 1.094 286 F CA 0.961 58.856 58.000 -0.175 0.000 1.290 286 F CB -0.313 38.562 39.000 -0.208 0.000 1.017 286 F HN 0.027 nan 8.300 nan 0.000 0.483 287 Q N 0.333 119.927 119.800 -0.343 0.000 2.084 287 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 287 Q C 2.155 178.074 176.000 -0.135 0.000 0.978 287 Q CA 1.693 57.210 55.803 -0.478 0.000 0.844 287 Q CB -0.498 27.347 28.738 -1.489 0.000 0.898 287 Q HN 0.451 nan 8.270 nan 0.000 0.426 288 Q N -0.033 119.735 119.800 -0.054 0.000 2.045 288 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 288 Q C 1.928 177.986 176.000 0.096 0.000 0.991 288 Q CA 1.824 57.721 55.803 0.157 0.000 0.851 288 Q CB -0.292 28.564 28.738 0.197 0.000 0.911 288 Q HN 0.415 nan 8.270 nan 0.000 0.418 289 A N 0.424 123.282 122.820 0.063 0.000 1.908 289 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 289 A C 2.298 179.872 177.584 -0.017 0.000 1.181 289 A CA 1.657 53.722 52.037 0.048 0.000 0.627 289 A CB -1.325 17.737 19.000 0.103 0.000 0.818 289 A HN 0.643 nan 8.150 nan 0.000 0.445 290 G N -0.356 108.427 108.800 -0.029 0.000 2.448 290 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 290 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 290 G C 1.347 176.132 174.900 -0.192 0.000 1.127 290 G CA 1.041 46.077 45.100 -0.106 0.000 0.766 290 G HN 0.725 nan 8.290 nan 0.000 0.552 291 N N 0.419 119.102 118.700 -0.029 0.000 2.309 291 N HA -0.035 4.705 4.740 -0.000 0.000 0.182 291 N C 2.352 177.723 175.510 -0.232 0.000 1.018 291 N CA 0.477 53.524 53.050 -0.005 0.000 0.876 291 N CB -0.144 38.491 38.487 0.247 0.000 0.972 291 N HN 0.320 nan 8.380 nan 0.000 0.434 292 G N 1.873 110.566 108.800 -0.177 0.000 2.507 292 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.221 292 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.221 292 G C 1.365 176.074 174.900 -0.317 0.000 1.119 292 G CA 0.527 45.503 45.100 -0.207 0.000 0.751 292 G HN 0.172 nan 8.290 nan 0.000 0.574 293 I N 0.388 120.695 120.570 -0.439 0.000 2.163 293 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 293 I C 2.533 178.366 176.117 -0.473 0.000 1.085 293 I CA 1.203 62.190 61.300 -0.522 0.000 1.347 293 I CB -1.140 36.400 38.000 -0.768 0.000 1.044 293 I HN 0.118 nan 8.210 nan 0.000 0.408 294 F N 1.126 120.927 119.950 -0.249 0.000 2.163 294 F HA 0.026 4.553 4.527 -0.000 0.000 0.297 294 F C 2.661 178.269 175.800 -0.319 0.000 1.094 294 F CA 0.873 58.691 58.000 -0.303 0.000 1.290 294 F CB -1.458 37.257 39.000 -0.477 0.000 1.017 294 F HN -0.011 nan 8.300 nan 0.000 0.483 295 A N 0.378 123.051 122.820 -0.245 0.000 1.972 295 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 295 A C 2.307 179.822 177.584 -0.114 0.000 1.169 295 A CA 1.466 53.402 52.037 -0.169 0.000 0.635 295 A CB -0.582 18.324 19.000 -0.156 0.000 0.810 295 A HN 0.346 nan 8.150 nan 0.000 0.446 296 R N -1.042 119.346 120.500 -0.185 0.000 2.140 296 R HA 0.002 4.342 4.340 -0.000 0.000 0.213 296 R C 2.348 178.636 176.300 -0.019 0.000 1.059 296 R CA 0.993 56.970 56.100 -0.205 0.000 1.000 296 R CB -0.239 29.752 30.300 -0.515 0.000 0.910 296 R HN 0.652 nan 8.270 nan 0.000 0.455 297 Q N 0.646 120.441 119.800 -0.008 0.000 2.050 297 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 297 Q C 2.271 178.316 176.000 0.076 0.000 0.980 297 Q CA 1.597 57.434 55.803 0.056 0.000 0.840 297 Q CB -0.193 28.590 28.738 0.075 0.000 0.898 297 Q HN 0.314 nan 8.270 nan 0.000 0.424 298 A N 1.271 124.131 122.820 0.066 0.000 1.859 298 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 298 A C 2.086 179.725 177.584 0.091 0.000 1.209 298 A CA 1.731 53.817 52.037 0.081 0.000 0.639 298 A CB -1.022 18.025 19.000 0.077 0.000 0.835 298 A HN 0.371 nan 8.150 nan 0.000 0.450 299 L N -0.312 120.965 121.223 0.090 0.000 2.043 299 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 299 L C 2.374 179.324 176.870 0.133 0.000 1.075 299 L CA 1.776 56.686 54.840 0.118 0.000 0.752 299 L CB -0.514 41.628 42.059 0.139 0.000 0.891 299 L HN 0.455 nan 8.230 nan 0.000 0.432 300 L N -0.992 120.322 121.223 0.152 0.000 2.017 300 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 300 L C 2.664 179.595 176.870 0.101 0.000 1.073 300 L CA 1.326 56.249 54.840 0.138 0.000 0.745 300 L CB -0.898 41.251 42.059 0.150 0.000 0.894 300 L HN 0.389 nan 8.230 nan 0.000 0.432 301 A N 0.047 122.928 122.820 0.101 0.000 1.908 301 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 301 A C 2.198 179.851 177.584 0.115 0.000 1.181 301 A CA 1.565 53.662 52.037 0.099 0.000 0.627 301 A CB -0.735 18.320 19.000 0.092 0.000 0.818 301 A HN 0.399 nan 8.150 nan 0.000 0.445 302 L N -0.686 120.605 121.223 0.113 0.000 2.217 302 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 302 L C 2.212 179.162 176.870 0.134 0.000 1.107 302 L CA 0.623 55.539 54.840 0.127 0.000 0.783 302 L CB -0.279 41.845 42.059 0.109 0.000 0.919 302 L HN 0.246 nan 8.230 nan 0.000 0.442 303 V N -0.534 119.427 119.914 0.079 0.000 2.878 303 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 303 V C 1.744 177.776 176.094 -0.104 0.000 1.075 303 V CA 0.968 63.260 62.300 -0.014 0.000 1.096 303 V CB 0.105 31.920 31.823 -0.012 0.000 0.724 303 V HN 0.354 nan 8.190 nan 0.000 0.467 304 L N -0.324 120.905 121.223 0.011 0.000 2.808 304 L HA 0.388 4.728 4.340 -0.000 0.000 0.246 304 L C 0.179 177.171 176.870 0.204 0.000 1.153 304 L CA 0.153 55.002 54.840 0.015 0.000 0.956 304 L CB 0.111 42.184 42.059 0.023 0.000 1.270 304 L HN 0.259 nan 8.230 nan 0.000 0.528 305 N N 0.100 118.993 118.700 0.322 0.000 2.533 305 N HA 0.163 4.903 4.740 -0.000 0.000 0.289 305 N C 1.003 176.676 175.510 0.273 0.000 1.103 305 N CA -0.497 52.730 53.050 0.296 0.000 0.877 305 N CB 1.188 39.767 38.487 0.154 0.000 1.419 305 N HN 0.053 nan 8.380 nan 0.000 0.517 306 R N 1.624 122.078 120.500 -0.076 0.000 2.120 306 R HA -0.011 4.329 4.340 -0.000 0.000 0.234 306 R C -0.528 175.673 176.300 -0.165 0.000 1.123 306 R CA 0.905 56.716 56.100 -0.482 0.000 0.975 306 R CB -0.339 29.362 30.300 -0.999 0.000 0.866 306 R HN 0.450 nan 8.270 nan 0.000 0.446 307 D N 1.545 121.898 120.400 -0.079 0.000 2.339 307 D HA 0.138 4.778 4.640 -0.000 0.000 0.245 307 D C 0.326 176.632 176.300 0.010 0.000 1.115 307 D CA -0.299 53.680 54.000 -0.034 0.000 0.917 307 D CB 1.425 42.213 40.800 -0.020 0.000 1.192 307 D HN 0.054 nan 8.370 nan 0.000 0.428 308 L N 0.678 121.909 121.223 0.013 0.000 2.476 308 L HA 0.172 4.511 4.340 -0.000 0.000 0.255 308 L C 0.667 177.556 176.870 0.033 0.000 1.218 308 L CA -0.560 54.298 54.840 0.031 0.000 0.819 308 L CB 0.571 42.646 42.059 0.028 0.000 1.119 308 L HN 0.246 nan 8.230 nan 0.000 0.485 309 V N -0.643 119.296 119.914 0.042 0.000 2.975 309 V HA 0.501 4.621 4.120 -0.000 0.000 0.318 309 V C 0.073 176.187 176.094 0.034 0.000 1.077 309 V CA -1.004 61.320 62.300 0.040 0.000 1.000 309 V CB 1.584 33.437 31.823 0.051 0.000 1.066 309 V HN 0.561 nan 8.190 nan 0.000 0.452 310 L N 0.000 121.241 121.223 0.031 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.855 54.840 0.026 0.000 0.813 310 L CB 0.000 42.072 42.059 0.022 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502