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 1uf2_1_I DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSVSS DATA SEQUENCE XXYVSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.755 176.300 0.759 0.000 1.140 1 M CA 0.000 55.607 55.300 0.512 0.000 0.988 1 M CB 0.000 32.726 32.600 0.209 0.000 1.302 2 S N 1.243 117.199 115.700 0.426 0.000 2.537 2 S HA -0.049 4.420 4.470 -0.000 0.000 0.280 2 S C 0.845 175.588 174.600 0.238 0.000 1.335 2 S CA 0.750 59.113 58.200 0.271 0.000 1.025 2 S CB 0.204 63.467 63.200 0.104 0.000 0.836 2 S HN 0.807 nan 8.310 nan 0.000 0.523 3 R N 0.750 121.072 120.500 -0.297 0.000 2.081 3 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 3 R C 2.065 178.304 176.300 -0.102 0.000 1.131 3 R CA 1.209 56.944 56.100 -0.608 0.000 0.960 3 R CB -0.600 29.048 30.300 -1.086 0.000 0.856 3 R HN 0.618 nan 8.270 nan 0.000 0.436 4 Q N 0.995 120.753 119.800 -0.069 0.000 2.084 4 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 4 Q C 2.168 178.238 176.000 0.116 0.000 0.978 4 Q CA 1.827 57.641 55.803 0.018 0.000 0.844 4 Q CB -0.183 28.553 28.738 -0.004 0.000 0.898 4 Q HN 0.486 nan 8.270 nan 0.000 0.426 5 M N -1.810 117.875 119.600 0.141 0.000 2.267 5 M HA -0.222 4.258 4.480 -0.000 0.000 0.263 5 M C 1.592 177.981 176.300 0.148 0.000 1.063 5 M CA 1.351 56.724 55.300 0.122 0.000 1.090 5 M CB -0.285 32.376 32.600 0.101 0.000 1.392 5 M HN 0.227 nan 8.290 nan 0.000 0.422 6 W N 0.251 121.680 121.300 0.215 0.000 2.441 6 W HA -0.029 4.631 4.660 -0.000 0.000 0.302 6 W C 2.007 178.691 176.519 0.276 0.000 1.191 6 W CA 0.757 58.276 57.345 0.291 0.000 1.327 6 W CB -0.453 29.248 29.460 0.403 0.000 1.128 6 W HN 0.043 nan 8.180 nan 0.000 0.522 7 L N -0.028 121.457 121.223 0.437 0.000 2.013 7 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 7 L C 1.983 179.028 176.870 0.293 0.000 1.073 7 L CA 1.620 56.679 54.840 0.365 0.000 0.753 7 L CB -0.942 41.281 42.059 0.273 0.000 0.890 7 L HN -0.070 nan 8.230 nan 0.000 0.432 8 D N -0.466 120.046 120.400 0.187 0.000 2.103 8 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 8 D C 2.177 178.483 176.300 0.010 0.000 0.997 8 D CA 1.913 55.947 54.000 0.055 0.000 0.833 8 D CB -0.299 40.517 40.800 0.027 0.000 0.961 8 D HN 0.178 nan 8.370 nan 0.000 0.447 9 T N -0.557 114.023 114.554 0.044 0.000 2.759 9 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 9 T C 1.975 176.652 174.700 -0.039 0.000 1.042 9 T CA 1.483 63.584 62.100 0.001 0.000 1.140 9 T CB -0.414 68.472 68.868 0.029 0.000 0.864 9 T HN 0.096 nan 8.240 nan 0.000 0.455 10 S N 1.450 117.228 115.700 0.129 0.000 2.351 10 S HA -0.143 4.327 4.470 -0.000 0.000 0.220 10 S C 2.485 177.054 174.600 -0.051 0.000 1.035 10 S CA 1.569 59.802 58.200 0.055 0.000 1.031 10 S CB -0.739 62.656 63.200 0.324 0.000 0.928 10 S HN 0.514 nan 8.310 nan 0.000 0.433 11 A N 1.732 124.531 122.820 -0.036 0.000 1.958 11 A HA -0.091 4.229 4.320 -0.000 0.000 0.221 11 A C 2.368 179.844 177.584 -0.179 0.000 1.178 11 A CA 1.825 53.738 52.037 -0.206 0.000 0.642 11 A CB -1.013 17.633 19.000 -0.591 0.000 0.816 11 A HN 0.655 nan 8.150 nan 0.000 0.453 12 L N -0.810 120.316 121.223 -0.161 0.000 1.988 12 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 12 L C 2.530 179.319 176.870 -0.134 0.000 1.071 12 L CA 1.532 56.282 54.840 -0.149 0.000 0.744 12 L CB -0.335 41.645 42.059 -0.133 0.000 0.893 12 L HN 0.433 nan 8.230 nan 0.000 0.433 13 L N -0.152 120.963 121.223 -0.179 0.000 2.079 13 L HA -0.291 4.049 4.340 -0.000 0.000 0.210 13 L C 2.480 179.304 176.870 -0.077 0.000 1.081 13 L CA 1.584 56.319 54.840 -0.176 0.000 0.752 13 L CB -0.391 41.417 42.059 -0.419 0.000 0.896 13 L HN 0.425 nan 8.230 nan 0.000 0.433 14 E N -0.376 119.778 120.200 -0.076 0.000 2.152 14 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 14 E C 2.163 178.785 176.600 0.036 0.000 0.983 14 E CA 0.920 57.322 56.400 0.004 0.000 0.818 14 E CB 0.096 29.810 29.700 0.024 0.000 0.758 14 E HN 0.483 nan 8.360 nan 0.000 0.467 15 A N 0.901 123.716 122.820 -0.008 0.000 1.872 15 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 15 A C 2.105 179.728 177.584 0.065 0.000 1.187 15 A CA 0.907 52.961 52.037 0.028 0.000 0.614 15 A CB -0.568 18.385 19.000 -0.078 0.000 0.826 15 A HN 0.259 nan 8.150 nan 0.000 0.442 16 I N -0.023 120.536 120.570 -0.018 0.000 2.185 16 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 16 I C 2.882 179.058 176.117 0.100 0.000 1.088 16 I CA 1.730 63.019 61.300 -0.018 0.000 1.347 16 I CB -0.356 37.660 38.000 0.026 0.000 1.041 16 I HN 0.484 nan 8.210 nan 0.000 0.415 17 S N 0.464 116.243 115.700 0.131 0.000 2.351 17 S HA -0.302 4.168 4.470 -0.000 0.000 0.220 17 S C 2.064 176.745 174.600 0.134 0.000 1.035 17 S CA 2.017 60.311 58.200 0.157 0.000 1.031 17 S CB -0.397 62.884 63.200 0.135 0.000 0.928 17 S HN 0.492 nan 8.310 nan 0.000 0.433 18 E N -0.870 119.410 120.200 0.134 0.000 2.086 18 E HA -0.248 4.102 4.350 -0.000 0.000 0.205 18 E C 1.901 178.519 176.600 0.031 0.000 1.027 18 E CA 2.037 58.493 56.400 0.094 0.000 0.830 18 E CB -0.366 29.412 29.700 0.130 0.000 0.751 18 E HN 0.760 nan 8.360 nan 0.000 0.456 19 Y N -0.271 120.010 120.300 -0.032 0.000 2.293 19 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 19 Y C 2.285 178.167 175.900 -0.030 0.000 1.137 19 Y CA 0.727 58.794 58.100 -0.055 0.000 1.202 19 Y CB -0.227 38.153 38.460 -0.133 0.000 0.990 19 Y HN -0.024 nan 8.280 nan 0.000 0.537 20 V N -1.106 118.882 119.914 0.123 0.000 2.358 20 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 20 V C 2.184 178.329 176.094 0.086 0.000 1.047 20 V CA 1.571 63.944 62.300 0.122 0.000 1.035 20 V CB -0.737 31.193 31.823 0.178 0.000 0.658 20 V HN 0.225 nan 8.190 nan 0.000 0.452 21 V N -0.117 119.833 119.914 0.059 0.000 2.295 21 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 21 V C 2.541 178.634 176.094 -0.001 0.000 1.049 21 V CA 2.021 64.338 62.300 0.029 0.000 1.024 21 V CB -0.889 30.942 31.823 0.013 0.000 0.648 21 V HN 0.453 nan 8.190 nan 0.000 0.447 22 R N -0.691 119.778 120.500 -0.052 0.000 2.105 22 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 22 R C 2.185 178.475 176.300 -0.015 0.000 1.135 22 R CA 1.875 57.921 56.100 -0.089 0.000 0.967 22 R CB -0.646 29.500 30.300 -0.257 0.000 0.861 22 R HN 0.483 nan 8.270 nan 0.000 0.442 23 C N -0.061 119.259 119.300 0.033 0.000 2.594 23 C HA 0.055 4.515 4.460 -0.000 0.000 0.265 23 C C 1.124 176.140 174.990 0.044 0.000 1.351 23 C CA -0.787 58.280 59.018 0.082 0.000 1.744 23 C CB -1.503 26.344 27.740 0.178 0.000 1.890 23 C HN 0.467 nan 8.230 nan 0.000 0.551 24 N N 0.671 119.391 118.700 0.033 0.000 2.365 24 N HA 0.250 4.990 4.740 -0.000 0.000 0.265 24 N C 1.162 176.653 175.510 -0.031 0.000 1.288 24 N CA 0.949 54.005 53.050 0.010 0.000 0.869 24 N CB 0.177 38.678 38.487 0.022 0.000 1.071 24 N HN 0.515 nan 8.380 nan 0.000 0.480 25 G N 3.135 111.883 108.800 -0.087 0.000 2.203 25 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.263 25 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.263 25 G C -0.064 174.682 174.900 -0.258 0.000 1.012 25 G CA 0.405 45.412 45.100 -0.154 0.000 0.749 25 G HN 0.774 nan 8.290 nan 0.000 0.512 26 D N -0.208 120.017 120.400 -0.291 0.000 2.673 26 D HA 0.228 4.868 4.640 -0.000 0.000 0.278 26 D C 0.794 176.868 176.300 -0.377 0.000 1.393 26 D CA 0.733 54.606 54.000 -0.213 0.000 0.805 26 D CB 0.429 41.274 40.800 0.075 0.000 1.110 26 D HN 0.488 nan 8.370 nan 0.000 0.476 27 T N -1.029 113.120 114.554 -0.675 0.000 3.053 27 T HA 0.531 4.881 4.350 -0.000 0.000 0.363 27 T C -0.048 174.293 174.700 -0.599 0.000 1.239 27 T CA -0.686 61.133 62.100 -0.469 0.000 1.071 27 T CB -0.341 68.337 68.868 -0.318 0.000 1.089 27 T HN -0.234 nan 8.240 nan 0.000 0.527 28 F N 1.237 121.129 119.950 -0.096 0.000 2.408 28 F HA 0.512 5.039 4.527 -0.000 0.000 0.325 28 F C 2.025 177.768 175.800 -0.095 0.000 1.082 28 F CA -1.178 56.777 58.000 -0.075 0.000 1.032 28 F CB 1.202 40.174 39.000 -0.047 0.000 1.259 28 F HN 0.539 nan 8.300 nan 0.000 0.503 29 S N 0.313 116.084 115.700 0.118 0.000 2.345 29 S HA -0.027 4.443 4.470 -0.000 0.000 0.219 29 S C 1.673 176.288 174.600 0.026 0.000 1.031 29 S CA 0.795 59.015 58.200 0.033 0.000 0.984 29 S CB -1.019 62.197 63.200 0.028 0.000 0.874 29 S HN 0.822 nan 8.310 nan 0.000 0.451 30 G N 1.075 109.899 108.800 0.041 0.000 3.496 30 G HA2 0.519 4.479 3.960 -0.000 0.000 0.273 30 G HA3 0.519 4.479 3.960 -0.000 0.000 0.273 30 G C -0.526 174.384 174.900 0.017 0.000 1.279 30 G CA -0.251 44.858 45.100 0.016 0.000 1.041 30 G HN 0.486 nan 8.290 nan 0.000 0.539 31 L N 0.039 121.283 121.223 0.036 0.000 2.639 31 L HA 0.455 4.795 4.340 -0.000 0.000 0.264 31 L C -0.823 176.073 176.870 0.044 0.000 0.948 31 L CA -0.185 54.680 54.840 0.042 0.000 0.912 31 L CB 2.053 44.144 42.059 0.055 0.000 1.294 31 L HN -0.058 nan 8.230 nan 0.000 0.412 32 T N 2.567 117.141 114.554 0.034 0.000 2.749 32 T HA 0.420 4.770 4.350 -0.000 0.000 0.287 32 T C -0.071 174.685 174.700 0.093 0.000 0.970 32 T CA -0.149 61.980 62.100 0.048 0.000 0.980 32 T CB 1.054 69.960 68.868 0.062 0.000 0.924 32 T HN 0.648 nan 8.240 nan 0.000 0.456 33 T N 1.776 116.411 114.554 0.135 0.000 2.882 33 T HA 0.452 4.802 4.350 -0.000 0.000 0.287 33 T C 1.739 176.540 174.700 0.168 0.000 0.992 33 T CA -0.231 61.957 62.100 0.147 0.000 1.076 33 T CB 0.912 69.881 68.868 0.167 0.000 0.961 33 T HN 0.625 nan 8.240 nan 0.000 0.490 34 G N 3.328 112.201 108.800 0.121 0.000 2.475 34 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 34 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 34 G C 1.093 176.077 174.900 0.140 0.000 1.125 34 G CA 0.952 46.118 45.100 0.110 0.000 0.755 34 G HN 0.779 nan 8.290 nan 0.000 0.565 35 D N -0.200 120.299 120.400 0.165 0.000 2.084 35 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 35 D C 1.925 178.358 176.300 0.221 0.000 0.990 35 D CA 0.502 54.627 54.000 0.207 0.000 0.826 35 D CB -0.499 40.377 40.800 0.127 0.000 0.971 35 D HN 0.265 nan 8.370 nan 0.000 0.453 36 F N 1.505 121.502 119.950 0.080 0.000 2.202 36 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 36 F C 1.912 177.728 175.800 0.026 0.000 1.082 36 F CA 1.122 59.154 58.000 0.053 0.000 1.313 36 F CB -0.106 38.926 39.000 0.053 0.000 1.024 36 F HN -0.110 nan 8.300 nan 0.000 0.495 37 N N 0.675 119.424 118.700 0.082 0.000 2.058 37 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 37 N C 2.107 177.524 175.510 -0.154 0.000 1.037 37 N CA 1.588 54.624 53.050 -0.023 0.000 0.848 37 N CB -0.785 37.730 38.487 0.046 0.000 1.021 37 N HN 0.402 nan 8.380 nan 0.000 0.422 38 A N 1.485 124.233 122.820 -0.119 0.000 1.883 38 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 38 A C 2.257 179.589 177.584 -0.420 0.000 1.186 38 A CA 1.179 53.063 52.037 -0.254 0.000 0.624 38 A CB -0.890 17.950 19.000 -0.267 0.000 0.822 38 A HN 0.271 nan 8.150 nan 0.000 0.444 39 L N -0.053 120.926 121.223 -0.407 0.000 1.990 39 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 39 L C 2.533 178.907 176.870 -0.826 0.000 1.072 39 L CA 2.676 57.132 54.840 -0.639 0.000 0.755 39 L CB -1.063 40.670 42.059 -0.543 0.000 0.889 39 L HN 0.304 nan 8.230 nan 0.000 0.432 40 S N -0.100 115.193 115.700 -0.679 0.000 2.374 40 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 40 S C 1.739 176.213 174.600 -0.210 0.000 1.037 40 S CA 1.554 59.510 58.200 -0.407 0.000 1.024 40 S CB -0.459 62.536 63.200 -0.342 0.000 0.861 40 S HN 0.593 nan 8.310 nan 0.000 0.456 41 N N 0.462 119.024 118.700 -0.229 0.000 2.396 41 N HA 0.088 4.828 4.740 -0.000 0.000 0.180 41 N C 1.532 176.937 175.510 -0.174 0.000 1.028 41 N CA 0.667 53.627 53.050 -0.150 0.000 0.893 41 N CB -0.174 38.229 38.487 -0.141 0.000 0.967 41 N HN 0.457 nan 8.380 nan 0.000 0.440 42 M N -0.672 118.751 119.600 -0.295 0.000 2.236 42 M HA 0.021 4.501 4.480 -0.000 0.000 0.266 42 M C 1.511 177.741 176.300 -0.116 0.000 1.070 42 M CA 1.020 56.159 55.300 -0.268 0.000 1.137 42 M CB -0.252 32.105 32.600 -0.405 0.000 1.378 42 M HN 0.023 nan 8.290 nan 0.000 0.426 43 F N -0.160 119.705 119.950 -0.142 0.000 2.307 43 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 43 F C 2.177 177.919 175.800 -0.096 0.000 1.076 43 F CA 0.528 58.454 58.000 -0.124 0.000 1.383 43 F CB -0.307 38.612 39.000 -0.135 0.000 1.055 43 F HN 0.130 nan 8.300 nan 0.000 0.526 44 T N -1.063 113.541 114.554 0.084 0.000 3.088 44 T HA -0.082 4.268 4.350 -0.000 0.000 0.259 44 T C 1.784 176.483 174.700 -0.002 0.000 1.122 44 T CA 0.605 62.725 62.100 0.032 0.000 1.095 44 T CB -0.035 68.843 68.868 0.016 0.000 0.930 44 T HN 0.163 nan 8.240 nan 0.000 0.508 45 Q N 0.197 119.989 119.800 -0.013 0.000 2.354 45 Q HA 0.224 4.564 4.340 -0.000 0.000 0.203 45 Q C 1.686 177.678 176.000 -0.014 0.000 0.933 45 Q CA 0.515 56.298 55.803 -0.033 0.000 0.901 45 Q CB -0.044 28.659 28.738 -0.059 0.000 1.007 45 Q HN 0.403 nan 8.270 nan 0.000 0.495 46 L N 0.577 121.816 121.223 0.026 0.000 2.298 46 L HA 0.046 4.386 4.340 -0.000 0.000 0.209 46 L C 1.218 178.119 176.870 0.053 0.000 1.084 46 L CA 0.462 55.349 54.840 0.078 0.000 0.816 46 L CB -0.497 41.630 42.059 0.113 0.000 0.967 46 L HN 0.018 nan 8.230 nan 0.000 0.460 47 S N -0.610 115.099 115.700 0.016 0.000 2.569 47 S HA 0.103 4.573 4.470 -0.000 0.000 0.274 47 S C 0.388 174.949 174.600 -0.065 0.000 1.353 47 S CA -0.764 57.425 58.200 -0.018 0.000 1.023 47 S CB 0.501 63.685 63.200 -0.027 0.000 0.876 47 S HN -0.037 nan 8.310 nan 0.000 0.540 48 V N 3.936 123.797 119.914 -0.089 0.000 2.382 48 V HA 0.119 4.239 4.120 -0.000 0.000 0.250 48 V C 1.492 177.537 176.094 -0.082 0.000 1.069 48 V CA 0.882 63.108 62.300 -0.122 0.000 1.130 48 V CB -1.449 30.299 31.823 -0.124 0.000 1.165 48 V HN 1.410 nan 8.190 nan 0.000 0.483 49 S N 2.729 118.380 115.700 -0.081 0.000 1.885 49 S HA -0.289 4.181 4.470 -0.000 0.000 0.220 49 S C 0.560 175.138 174.600 -0.037 0.000 0.988 49 S CA 1.706 59.871 58.200 -0.058 0.000 1.627 49 S CB -1.513 61.655 63.200 -0.053 0.000 2.182 49 S HN 2.327 nan 8.310 nan 0.000 0.556 54 V N 1.839 121.229 119.914 -0.873 0.000 2.543 54 V HA 0.156 4.276 4.120 -0.000 0.000 0.232 54 V C 1.321 176.912 176.094 -0.838 0.000 1.087 54 V CA 1.907 63.779 62.300 -0.714 0.000 1.113 54 V CB 0.148 31.728 31.823 -0.406 0.000 0.779 54 V HN 1.085 nan 8.190 nan 0.000 0.495 55 S N -1.236 113.902 115.700 -0.938 0.000 1.248 55 S HA -0.174 4.296 4.470 -0.000 0.000 0.252 55 S C 0.016 174.511 174.600 -0.175 0.000 0.593 55 S CA 0.760 58.713 58.200 -0.412 0.000 1.008 55 S CB -1.198 61.852 63.200 -0.250 0.000 0.983 55 S HN 0.682 nan 8.310 nan 0.000 0.490 56 D N 1.458 121.733 120.400 -0.209 0.000 2.476 56 D HA 0.453 5.093 4.640 -0.000 0.000 0.251 56 D C -1.853 174.286 176.300 -0.268 0.000 1.291 56 D CA -1.429 52.473 54.000 -0.163 0.000 0.939 56 D CB 2.031 42.762 40.800 -0.115 0.000 1.221 56 D HN 0.244 nan 8.370 nan 0.000 0.567 57 P HA -0.038 nan 4.420 nan 0.000 0.226 57 P C 1.171 178.144 177.300 -0.544 0.000 1.153 57 P CA 0.283 62.945 63.100 -0.729 0.000 0.777 57 P CB 0.778 31.706 31.700 -1.288 0.000 0.794 58 R N -0.081 120.226 120.500 -0.322 0.000 2.081 58 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 58 R C 2.399 178.581 176.300 -0.197 0.000 1.131 58 R CA 1.202 57.164 56.100 -0.231 0.000 0.960 58 R CB -1.187 29.044 30.300 -0.114 0.000 0.856 58 R HN 0.056 nan 8.270 nan 0.000 0.436 59 V N 2.062 121.876 119.914 -0.166 0.000 2.233 59 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 59 V C -0.709 175.322 176.094 -0.105 0.000 1.050 59 V CA 2.191 64.424 62.300 -0.111 0.000 1.010 59 V CB -1.231 30.534 31.823 -0.097 0.000 0.637 59 V HN 0.326 nan 8.190 nan 0.000 0.444 60 P HA -0.155 nan 4.420 nan 0.000 0.216 60 P C 1.984 179.225 177.300 -0.099 0.000 1.153 60 P CA 1.627 64.668 63.100 -0.097 0.000 0.848 60 P CB -0.034 31.582 31.700 -0.140 0.000 0.787 61 L N -0.654 120.421 121.223 -0.247 0.000 2.046 61 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 61 L C 3.179 179.984 176.870 -0.108 0.000 1.077 61 L CA 1.593 56.243 54.840 -0.316 0.000 0.747 61 L CB -0.939 40.650 42.059 -0.783 0.000 0.896 61 L HN 0.025 nan 8.230 nan 0.000 0.432 62 Q N -0.564 119.199 119.800 -0.062 0.000 2.020 62 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 62 Q C 2.143 178.209 176.000 0.111 0.000 0.982 62 Q CA 2.390 58.238 55.803 0.075 0.000 0.838 62 Q CB -0.050 28.709 28.738 0.035 0.000 0.899 62 Q HN 0.445 nan 8.270 nan 0.000 0.423 63 T N 1.253 115.854 114.554 0.078 0.000 2.699 63 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 63 T C 1.628 176.431 174.700 0.173 0.000 1.036 63 T CA 1.506 63.687 62.100 0.134 0.000 1.147 63 T CB -0.230 68.719 68.868 0.135 0.000 0.862 63 T HN 0.336 nan 8.240 nan 0.000 0.446 64 M N 0.932 120.579 119.600 0.077 0.000 2.086 64 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 64 M C 2.382 178.746 176.300 0.107 0.000 1.067 64 M CA 1.620 56.828 55.300 -0.154 0.000 1.116 64 M CB -0.508 31.836 32.600 -0.426 0.000 1.348 64 M HN 0.167 nan 8.290 nan 0.000 0.407 65 S N 1.252 117.080 115.700 0.212 0.000 2.353 65 S HA -0.151 4.319 4.470 -0.000 0.000 0.222 65 S C 1.457 176.288 174.600 0.386 0.000 1.035 65 S CA 1.765 60.168 58.200 0.338 0.000 1.025 65 S CB -0.562 62.874 63.200 0.392 0.000 0.902 65 S HN 0.523 nan 8.310 nan 0.000 0.440 66 N N 1.337 120.271 118.700 0.390 0.000 2.037 66 N HA -0.117 4.623 4.740 -0.000 0.000 0.196 66 N C 1.659 177.344 175.510 0.293 0.000 1.034 66 N CA 1.482 54.780 53.050 0.413 0.000 0.861 66 N CB -0.416 38.233 38.487 0.271 0.000 1.039 66 N HN 0.353 nan 8.380 nan 0.000 0.427 67 M N -1.071 118.692 119.600 0.272 0.000 2.159 67 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 67 M C 1.725 178.021 176.300 -0.006 0.000 1.063 67 M CA 1.092 56.543 55.300 0.252 0.000 1.110 67 M CB -0.152 32.743 32.600 0.491 0.000 1.374 67 M HN 0.134 nan 8.290 nan 0.000 0.411 68 F N 0.231 120.032 119.950 -0.248 0.000 2.102 68 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 68 F C 1.907 177.534 175.800 -0.289 0.000 1.105 68 F CA 1.456 59.052 58.000 -0.674 0.000 1.239 68 F CB -0.547 38.274 39.000 -0.297 0.000 0.991 68 F HN -0.189 nan 8.300 nan 0.000 0.474 69 V N -0.413 119.326 119.914 -0.291 0.000 2.287 69 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 69 V C 2.692 178.632 176.094 -0.256 0.000 1.053 69 V CA 2.112 64.194 62.300 -0.364 0.000 1.027 69 V CB -1.212 30.315 31.823 -0.493 0.000 0.646 69 V HN 0.533 nan 8.190 nan 0.000 0.447 70 S N -0.974 114.665 115.700 -0.101 0.000 2.419 70 S HA -0.212 4.258 4.470 -0.000 0.000 0.235 70 S C 1.783 176.328 174.600 -0.093 0.000 1.019 70 S CA 1.967 60.144 58.200 -0.039 0.000 0.982 70 S CB -0.384 62.852 63.200 0.061 0.000 0.789 70 S HN 0.615 nan 8.310 nan 0.000 0.490 71 F N 1.061 120.779 119.950 -0.387 0.000 2.104 71 F HA 0.214 4.741 4.527 -0.000 0.000 0.288 71 F C 1.730 177.263 175.800 -0.445 0.000 1.107 71 F CA 0.814 58.587 58.000 -0.380 0.000 1.208 71 F CB -0.591 38.099 39.000 -0.516 0.000 1.033 71 F HN 0.203 nan 8.300 nan 0.000 0.478 72 I N 0.564 120.793 120.570 -0.567 0.000 2.850 72 I HA -0.200 3.970 4.170 -0.000 0.000 0.266 72 I C 1.997 177.765 176.117 -0.581 0.000 1.257 72 I CA 1.432 62.331 61.300 -0.669 0.000 1.465 72 I CB -0.891 36.636 38.000 -0.789 0.000 1.091 72 I HN 0.271 nan 8.210 nan 0.000 0.467 73 T N -1.334 112.936 114.554 -0.474 0.000 2.852 73 T HA 0.008 4.358 4.350 -0.000 0.000 0.256 73 T C 1.006 175.497 174.700 -0.349 0.000 1.038 73 T CA 0.857 62.719 62.100 -0.398 0.000 1.141 73 T CB -0.056 68.662 68.868 -0.250 0.000 0.869 73 T HN 0.308 nan 8.240 nan 0.000 0.439 74 S N 1.113 116.619 115.700 -0.323 0.000 2.439 74 S HA 0.167 4.637 4.470 -0.000 0.000 0.282 74 S C 1.290 175.698 174.600 -0.320 0.000 1.170 74 S CA -0.470 57.571 58.200 -0.265 0.000 1.054 74 S CB 0.701 63.790 63.200 -0.185 0.000 0.956 74 S HN 0.305 nan 8.310 nan 0.000 0.490 75 T N 4.404 118.799 114.554 -0.266 0.000 2.759 75 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 75 T C 1.252 175.827 174.700 -0.207 0.000 1.042 75 T CA 1.527 63.476 62.100 -0.252 0.000 1.140 75 T CB -0.295 68.459 68.868 -0.190 0.000 0.864 75 T HN 0.660 nan 8.240 nan 0.000 0.455 76 D N 0.878 121.185 120.400 -0.156 0.000 2.123 76 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 76 D C 2.389 178.634 176.300 -0.092 0.000 0.992 76 D CA 1.017 54.958 54.000 -0.099 0.000 0.833 76 D CB -0.043 40.717 40.800 -0.067 0.000 0.954 76 D HN 0.465 nan 8.370 nan 0.000 0.455 77 R N 0.579 120.983 120.500 -0.160 0.000 2.052 77 R HA -0.024 4.316 4.340 -0.000 0.000 0.224 77 R C 2.657 178.823 176.300 -0.223 0.000 1.165 77 R CA 1.286 57.304 56.100 -0.137 0.000 0.939 77 R CB -1.263 28.919 30.300 -0.196 0.000 0.834 77 R HN 0.314 nan 8.270 nan 0.000 0.435 78 C N 1.043 119.896 119.300 -0.745 0.000 2.511 78 C HA 0.266 4.726 4.460 -0.000 0.000 0.300 78 C C 2.237 176.981 174.990 -0.409 0.000 1.393 78 C CA -0.781 57.763 59.018 -0.790 0.000 1.637 78 C CB -1.719 25.270 27.740 -1.251 0.000 1.637 78 C HN 0.523 nan 8.230 nan 0.000 0.595 79 G N 1.824 110.503 108.800 -0.201 0.000 2.545 79 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 79 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 79 G C 1.231 176.056 174.900 -0.125 0.000 1.218 79 G CA 1.456 46.475 45.100 -0.136 0.000 0.787 79 G HN 0.862 nan 8.290 nan 0.000 0.571 80 Y N 0.101 120.353 120.300 -0.081 0.000 2.219 80 Y HA -0.174 4.376 4.550 -0.000 0.000 0.283 80 Y C 2.536 178.355 175.900 -0.135 0.000 1.191 80 Y CA 1.856 59.938 58.100 -0.030 0.000 1.199 80 Y CB -0.416 38.077 38.460 0.055 0.000 0.972 80 Y HN 0.201 nan 8.280 nan 0.000 0.527 81 M N 0.087 118.902 119.600 -1.308 0.000 2.630 81 M HA -0.021 4.459 4.480 -0.000 0.000 0.254 81 M C 1.306 177.188 176.300 -0.697 0.000 1.092 81 M CA 1.025 55.349 55.300 -1.626 0.000 1.087 81 M CB -0.064 31.541 32.600 -1.658 0.000 1.453 81 M HN 0.424 nan 8.290 nan 0.000 0.509 82 L N -1.339 119.675 121.223 -0.349 0.000 2.513 82 L HA 0.125 4.465 4.340 -0.000 0.000 0.222 82 L C 0.907 177.809 176.870 0.053 0.000 1.096 82 L CA -0.103 54.647 54.840 -0.149 0.000 0.857 82 L CB -0.066 41.871 42.059 -0.202 0.000 1.026 82 L HN 0.093 nan 8.230 nan 0.000 0.469 83 R N 1.301 121.855 120.500 0.091 0.000 2.590 83 R HA -0.040 4.300 4.340 -0.000 0.000 0.274 83 R C 1.320 177.757 176.300 0.228 0.000 1.061 83 R CA 0.014 56.185 56.100 0.118 0.000 1.081 83 R CB 0.666 31.034 30.300 0.113 0.000 0.984 83 R HN 0.033 nan 8.270 nan 0.000 0.448 84 K N 1.442 121.815 120.400 -0.045 0.000 2.189 84 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 84 K C 1.619 178.301 176.600 0.137 0.000 1.046 84 K CA 2.335 58.508 56.287 -0.191 0.000 0.928 84 K CB -0.032 32.148 32.500 -0.534 0.000 0.720 84 K HN 0.782 nan 8.250 nan 0.000 0.458 85 T N -2.524 112.126 114.554 0.161 0.000 2.812 85 T HA -0.179 4.171 4.350 -0.000 0.000 0.264 85 T C 1.613 176.475 174.700 0.269 0.000 1.042 85 T CA 0.875 63.089 62.100 0.190 0.000 1.140 85 T CB -0.691 68.272 68.868 0.158 0.000 0.870 85 T HN 0.576 nan 8.240 nan 0.000 0.445 86 W N 0.740 122.133 121.300 0.154 0.000 2.387 86 W HA 0.042 4.702 4.660 -0.000 0.000 0.272 86 W C 1.477 178.043 176.519 0.078 0.000 1.224 86 W CA 0.356 57.779 57.345 0.131 0.000 1.210 86 W CB -0.498 29.024 29.460 0.104 0.000 1.125 86 W HN 0.314 nan 8.180 nan 0.000 0.572 87 F N 0.597 120.564 119.950 0.028 0.000 2.743 87 F HA 0.009 4.536 4.527 -0.000 0.000 0.297 87 F C 1.746 177.451 175.800 -0.158 0.000 1.131 87 F CA 1.155 59.037 58.000 -0.196 0.000 1.426 87 F CB -0.157 38.763 39.000 -0.134 0.000 1.116 87 F HN -0.175 nan 8.300 nan 0.000 0.583 88 N N -1.083 117.647 118.700 0.050 0.000 2.804 88 N HA 0.005 4.745 4.740 -0.000 0.000 0.233 88 N C 0.436 175.907 175.510 -0.065 0.000 1.020 88 N CA 0.373 53.427 53.050 0.008 0.000 1.164 88 N CB -0.831 37.713 38.487 0.095 0.000 1.571 88 N HN -0.014 nan 8.380 nan 0.000 0.551 89 S N 1.383 117.076 115.700 -0.011 0.000 2.558 89 S HA -0.039 4.431 4.470 -0.000 0.000 0.291 89 S C 0.035 174.602 174.600 -0.055 0.000 1.306 89 S CA 0.136 58.330 58.200 -0.010 0.000 1.056 89 S CB 0.148 63.376 63.200 0.046 0.000 0.836 89 S HN 0.116 nan 8.310 nan 0.000 0.504 90 D N 3.188 123.566 120.400 -0.036 0.000 2.615 90 D HA 0.126 4.766 4.640 -0.000 0.000 0.236 90 D C -0.463 175.845 176.300 0.014 0.000 1.233 90 D CA 0.062 54.039 54.000 -0.037 0.000 0.829 90 D CB 0.370 41.145 40.800 -0.042 0.000 1.024 90 D HN 0.427 nan 8.370 nan 0.000 0.490 91 T N 1.305 115.885 114.554 0.042 0.000 2.761 91 T HA 0.099 4.449 4.350 -0.000 0.000 0.296 91 T C 0.598 175.356 174.700 0.097 0.000 0.934 91 T CA -0.425 61.713 62.100 0.064 0.000 1.091 91 T CB 1.053 69.964 68.868 0.072 0.000 0.896 91 T HN -0.063 nan 8.240 nan 0.000 0.515 92 K N 4.850 125.295 120.400 0.076 0.000 2.405 92 K HA 0.039 4.359 4.320 -0.000 0.000 0.273 92 K C -2.290 174.362 176.600 0.087 0.000 1.116 92 K CA -0.810 55.526 56.287 0.081 0.000 1.155 92 K CB -0.255 32.274 32.500 0.048 0.000 0.858 92 K HN 0.345 nan 8.250 nan 0.000 0.477 93 P HA 0.014 nan 4.420 nan 0.000 0.271 93 P C -0.576 176.712 177.300 -0.019 0.000 1.216 93 P CA -0.219 62.924 63.100 0.072 0.000 0.776 93 P CB 0.640 32.378 31.700 0.063 0.000 0.881 94 T N 2.136 116.685 114.554 -0.008 0.000 4.219 94 T HA 0.245 4.595 4.350 -0.000 0.000 0.263 94 T C 0.011 174.672 174.700 -0.065 0.000 1.217 94 T CA 0.060 62.150 62.100 -0.018 0.000 1.145 94 T CB -0.871 68.004 68.868 0.012 0.000 1.298 94 T HN 0.068 nan 8.240 nan 0.000 0.999 95 V N 1.281 121.125 119.914 -0.117 0.000 2.638 95 V HA 0.581 4.701 4.120 -0.000 0.000 0.306 95 V C -0.088 175.968 176.094 -0.064 0.000 1.052 95 V CA -0.939 61.273 62.300 -0.146 0.000 0.885 95 V CB 2.254 33.831 31.823 -0.410 0.000 0.999 95 V HN 0.471 nan 8.190 nan 0.000 0.424 96 S N 3.436 119.129 115.700 -0.012 0.000 2.667 96 S HA 0.525 4.995 4.470 -0.000 0.000 0.304 96 S C -1.239 173.399 174.600 0.063 0.000 1.135 96 S CA -0.440 57.771 58.200 0.017 0.000 1.125 96 S CB 0.119 63.328 63.200 0.016 0.000 0.996 96 S HN 0.886 nan 8.310 nan 0.000 0.474 97 D N 3.225 123.680 120.400 0.091 0.000 2.990 97 D HA 0.218 4.858 4.640 -0.000 0.000 0.227 97 D C 0.165 176.552 176.300 0.146 0.000 1.249 97 D CA -0.353 53.748 54.000 0.168 0.000 0.891 97 D CB 1.984 42.973 40.800 0.314 0.000 1.647 97 D HN 0.351 nan 8.370 nan 0.000 0.530 98 D N 1.699 122.187 120.400 0.148 0.000 2.127 98 D HA -0.204 4.436 4.640 -0.000 0.000 0.190 98 D C 1.619 177.991 176.300 0.119 0.000 1.000 98 D CA 1.425 55.492 54.000 0.112 0.000 0.839 98 D CB -0.204 40.677 40.800 0.136 0.000 0.955 98 D HN 0.429 nan 8.370 nan 0.000 0.446 99 F N 0.535 120.540 119.950 0.093 0.000 2.091 99 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 99 F C 2.046 177.837 175.800 -0.015 0.000 1.103 99 F CA 1.083 59.142 58.000 0.098 0.000 1.228 99 F CB -0.330 38.681 39.000 0.018 0.000 0.984 99 F HN -0.089 nan 8.300 nan 0.000 0.477 100 I N 0.568 121.114 120.570 -0.040 0.000 2.163 100 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 100 I C 2.775 178.767 176.117 -0.208 0.000 1.085 100 I CA 2.241 63.453 61.300 -0.147 0.000 1.347 100 I CB -1.007 37.047 38.000 0.091 0.000 1.044 100 I HN 0.426 nan 8.210 nan 0.000 0.408 101 T N -4.216 110.259 114.554 -0.132 0.000 2.985 101 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 101 T C 1.788 176.347 174.700 -0.235 0.000 1.076 101 T CA 1.603 63.616 62.100 -0.145 0.000 1.135 101 T CB -0.706 68.111 68.868 -0.085 0.000 0.890 101 T HN 0.220 nan 8.240 nan 0.000 0.480 102 T N 0.169 114.527 114.554 -0.327 0.000 3.014 102 T HA 0.184 4.534 4.350 -0.000 0.000 0.263 102 T C 0.902 175.109 174.700 -0.822 0.000 1.078 102 T CA 0.798 62.568 62.100 -0.550 0.000 1.135 102 T CB -0.200 68.292 68.868 -0.627 0.000 0.895 102 T HN 0.603 nan 8.240 nan 0.000 0.480 103 Y N -0.574 119.450 120.300 -0.460 0.000 2.736 103 Y HA 0.418 4.968 4.550 -0.000 0.000 0.272 103 Y C 0.368 175.996 175.900 -0.455 0.000 1.118 103 Y CA -0.930 56.881 58.100 -0.482 0.000 1.248 103 Y CB 0.381 38.429 38.460 -0.686 0.000 1.437 103 Y HN -0.015 nan 8.280 nan 0.000 0.481 104 I N 2.884 123.178 120.570 -0.459 0.000 2.471 104 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 104 I C 0.143 176.113 176.117 -0.244 0.000 1.079 104 I CA 0.126 61.159 61.300 -0.445 0.000 1.398 104 I CB 0.282 37.825 38.000 -0.761 0.000 1.403 104 I HN 0.224 nan 8.210 nan 0.000 0.530 105 R N 6.628 127.032 120.500 -0.160 0.000 2.765 105 R HA 0.507 4.847 4.340 -0.000 0.000 0.277 105 R C -3.241 173.023 176.300 -0.059 0.000 1.028 105 R CA -1.494 54.549 56.100 -0.094 0.000 0.860 105 R CB 1.292 31.532 30.300 -0.101 0.000 1.270 105 R HN 0.210 nan 8.270 nan 0.000 0.484 106 P HA 0.176 nan 4.420 nan 0.000 0.271 106 P C -0.856 176.420 177.300 -0.039 0.000 1.220 106 P CA -0.273 62.813 63.100 -0.024 0.000 0.768 106 P CB 1.594 33.285 31.700 -0.015 0.000 0.848 107 R N 1.746 122.222 120.500 -0.041 0.000 2.276 107 R HA 0.323 4.663 4.340 -0.000 0.000 0.195 107 R C 0.788 177.049 176.300 -0.065 0.000 0.908 107 R CA 0.175 56.240 56.100 -0.060 0.000 1.083 107 R CB -0.470 29.786 30.300 -0.073 0.000 1.182 107 R HN 0.397 nan 8.270 nan 0.000 0.608 108 L N 1.548 122.735 121.223 -0.059 0.000 2.473 108 L HA 0.129 4.469 4.340 -0.000 0.000 0.268 108 L C 0.341 177.185 176.870 -0.043 0.000 1.215 108 L CA 0.081 54.883 54.840 -0.062 0.000 0.823 108 L CB 0.434 42.463 42.059 -0.051 0.000 1.099 108 L HN 0.189 nan 8.230 nan 0.000 0.483 109 Q N 1.504 121.279 119.800 -0.043 0.000 2.256 109 Q HA 0.449 4.788 4.340 -0.000 0.000 0.254 109 Q C -1.145 174.844 176.000 -0.019 0.000 0.916 109 Q CA -0.402 55.382 55.803 -0.032 0.000 0.932 109 Q CB 1.913 30.630 28.738 -0.035 0.000 1.207 109 Q HN 0.459 nan 8.270 nan 0.000 0.426 110 V N 5.748 125.653 119.914 -0.015 0.000 2.715 110 V HA 0.520 4.640 4.120 -0.000 0.000 0.310 110 V C -1.792 174.297 176.094 -0.009 0.000 1.054 110 V CA -1.574 60.721 62.300 -0.008 0.000 0.928 110 V CB 1.783 33.603 31.823 -0.006 0.000 1.007 110 V HN 1.025 nan 8.190 nan 0.000 0.437 111 P HA 0.033 nan 4.420 nan 0.000 0.245 111 P C 1.360 178.658 177.300 -0.002 0.000 1.203 111 P CA 0.227 63.325 63.100 -0.003 0.000 0.792 111 P CB 0.315 32.013 31.700 -0.003 0.000 0.997 112 M N 1.612 121.209 119.600 -0.006 0.000 2.308 112 M HA -0.243 4.237 4.480 -0.000 0.000 0.257 112 M C 2.079 178.378 176.300 -0.002 0.000 1.070 112 M CA 2.308 57.604 55.300 -0.006 0.000 1.080 112 M CB -1.289 31.304 32.600 -0.012 0.000 1.274 112 M HN -0.159 nan 8.290 nan 0.000 0.434 113 S N -0.009 115.689 115.700 -0.003 0.000 2.372 113 S HA -0.238 4.232 4.470 -0.000 0.000 0.227 113 S C 1.646 176.261 174.600 0.024 0.000 1.044 113 S CA 1.882 60.086 58.200 0.006 0.000 1.050 113 S CB -0.908 62.293 63.200 0.001 0.000 0.901 113 S HN 0.635 nan 8.310 nan 0.000 0.447 114 D N 0.371 120.785 120.400 0.023 0.000 2.123 114 D HA -0.083 4.557 4.640 -0.000 0.000 0.196 114 D C 2.094 178.403 176.300 0.014 0.000 0.992 114 D CA 1.607 55.622 54.000 0.024 0.000 0.833 114 D CB -0.196 40.612 40.800 0.014 0.000 0.954 114 D HN 0.352 nan 8.370 nan 0.000 0.455 115 T N -0.536 114.022 114.554 0.006 0.000 2.674 115 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 115 T C 2.169 176.868 174.700 -0.001 0.000 1.039 115 T CA 1.153 63.253 62.100 0.000 0.000 1.150 115 T CB -0.580 68.287 68.868 -0.003 0.000 0.864 115 T HN -0.037 nan 8.240 nan 0.000 0.427 116 V N 1.809 121.725 119.914 0.003 0.000 2.252 116 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 116 V C 2.643 178.742 176.094 0.008 0.000 1.056 116 V CA 2.064 64.367 62.300 0.004 0.000 1.022 116 V CB -0.737 31.091 31.823 0.008 0.000 0.641 116 V HN 0.389 nan 8.190 nan 0.000 0.445 117 R N -0.405 120.109 120.500 0.023 0.000 2.113 117 R HA -0.279 4.061 4.340 -0.000 0.000 0.244 117 R C 2.428 178.730 176.300 0.005 0.000 1.142 117 R CA 2.395 58.515 56.100 0.033 0.000 0.953 117 R CB -0.235 30.098 30.300 0.055 0.000 0.860 117 R HN 0.637 nan 8.270 nan 0.000 0.438 118 Q N 0.079 119.875 119.800 -0.008 0.000 2.016 118 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 118 Q C 2.272 178.235 176.000 -0.062 0.000 0.978 118 Q CA 1.451 57.235 55.803 -0.032 0.000 0.833 118 Q CB -0.088 28.636 28.738 -0.023 0.000 0.895 118 Q HN 0.381 nan 8.270 nan 0.000 0.427 119 L N 1.232 122.428 121.223 -0.044 0.000 2.263 119 L HA -0.240 4.100 4.340 -0.000 0.000 0.216 119 L C 2.120 178.953 176.870 -0.061 0.000 1.111 119 L CA 0.712 55.520 54.840 -0.052 0.000 0.773 119 L CB -0.490 41.551 42.059 -0.030 0.000 0.906 119 L HN 0.354 nan 8.230 nan 0.000 0.439 120 N N 0.505 119.179 118.700 -0.044 0.000 2.135 120 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 120 N C 1.513 176.984 175.510 -0.066 0.000 1.027 120 N CA 1.202 54.232 53.050 -0.033 0.000 0.849 120 N CB -0.137 38.352 38.487 0.002 0.000 1.002 120 N HN 0.203 nan 8.380 nan 0.000 0.425 121 N N 0.563 119.199 118.700 -0.106 0.000 2.132 121 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 121 N C 0.657 175.973 175.510 -0.323 0.000 1.015 121 N CA 0.783 53.719 53.050 -0.190 0.000 0.864 121 N CB -0.313 37.996 38.487 -0.297 0.000 1.006 121 N HN 0.402 nan 8.380 nan 0.000 0.430 122 L N 0.570 121.610 121.223 -0.306 0.000 2.805 122 L HA 0.177 4.517 4.340 -0.000 0.000 0.237 122 L C 0.107 176.912 176.870 -0.109 0.000 1.252 122 L CA -0.157 54.532 54.840 -0.252 0.000 1.064 122 L CB -0.141 41.782 42.059 -0.227 0.000 1.361 122 L HN -0.130 nan 8.230 nan 0.000 0.474 123 S N -0.323 115.335 115.700 -0.070 0.000 2.578 123 S HA 0.387 4.857 4.470 -0.000 0.000 0.283 123 S C 1.222 175.820 174.600 -0.004 0.000 1.195 123 S CA -0.687 57.497 58.200 -0.026 0.000 1.050 123 S CB 2.188 65.382 63.200 -0.011 0.000 1.012 123 S HN 0.230 nan 8.310 nan 0.000 0.511 124 L N 1.532 122.757 121.223 0.002 0.000 1.994 124 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 124 L C 0.737 177.620 176.870 0.022 0.000 1.071 124 L CA 1.388 56.235 54.840 0.012 0.000 0.745 124 L CB -0.145 41.920 42.059 0.009 0.000 0.892 124 L HN 0.613 nan 8.230 nan 0.000 0.431 125 Q N 0.476 120.290 119.800 0.023 0.000 2.674 125 Q HA 0.291 4.631 4.340 -0.000 0.000 0.249 125 Q C -2.148 173.874 176.000 0.036 0.000 1.011 125 Q CA -1.505 54.317 55.803 0.031 0.000 0.734 125 Q CB 1.333 30.087 28.738 0.027 0.000 1.201 125 Q HN 0.171 nan 8.270 nan 0.000 0.498 126 P HA 0.067 nan 4.420 nan 0.000 0.275 126 P C -0.158 177.180 177.300 0.063 0.000 1.266 126 P CA -0.453 62.679 63.100 0.053 0.000 0.793 126 P CB 0.979 32.716 31.700 0.062 0.000 1.074 127 S N -0.992 114.752 115.700 0.072 0.000 2.533 127 S HA 0.276 4.746 4.470 -0.000 0.000 0.282 127 S C 1.432 176.088 174.600 0.093 0.000 1.304 127 S CA 0.024 58.272 58.200 0.080 0.000 1.063 127 S CB -0.122 63.133 63.200 0.092 0.000 0.881 127 S HN 0.510 nan 8.310 nan 0.000 0.493 128 A N 5.408 128.279 122.820 0.085 0.000 1.968 128 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 128 A C 0.848 178.499 177.584 0.112 0.000 1.169 128 A CA 1.004 53.096 52.037 0.092 0.000 0.638 128 A CB 0.023 19.068 19.000 0.075 0.000 0.812 128 A HN 0.648 nan 8.150 nan 0.000 0.446 129 K N 1.127 121.596 120.400 0.115 0.000 2.624 129 K HA 0.300 4.620 4.320 -0.000 0.000 0.200 129 K C -2.933 173.774 176.600 0.180 0.000 1.036 129 K CA -1.852 54.520 56.287 0.143 0.000 1.029 129 K CB 1.145 33.706 32.500 0.101 0.000 1.317 129 K HN 0.328 nan 8.250 nan 0.000 0.555 130 P HA 0.073 nan 4.420 nan 0.000 0.270 130 P C -0.103 177.369 177.300 0.287 0.000 1.223 130 P CA -0.177 63.050 63.100 0.213 0.000 0.785 130 P CB 1.226 33.039 31.700 0.188 0.000 0.923 131 K N 0.629 121.177 120.400 0.247 0.000 2.156 131 K HA 0.146 4.466 4.320 -0.000 0.000 0.242 131 K C 1.577 178.281 176.600 0.174 0.000 1.033 131 K CA -0.520 55.927 56.287 0.267 0.000 0.878 131 K CB 0.156 32.790 32.500 0.224 0.000 1.057 131 K HN 0.370 nan 8.250 nan 0.000 0.505 132 L N 0.483 121.722 121.223 0.026 0.000 2.217 132 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 132 L C 2.268 179.190 176.870 0.087 0.000 1.107 132 L CA 0.731 55.508 54.840 -0.105 0.000 0.783 132 L CB -0.318 41.549 42.059 -0.321 0.000 0.919 132 L HN 0.619 nan 8.230 nan 0.000 0.442 133 Y N 1.467 121.777 120.300 0.017 0.000 2.069 133 Y HA -0.388 4.162 4.550 -0.000 0.000 0.278 133 Y C 2.599 178.495 175.900 -0.007 0.000 1.175 133 Y CA 2.254 60.368 58.100 0.023 0.000 1.134 133 Y CB -0.293 38.182 38.460 0.024 0.000 0.965 133 Y HN 0.248 nan 8.280 nan 0.000 0.498 134 E N -0.153 120.011 120.200 -0.060 0.000 2.070 134 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 134 E C 2.296 178.695 176.600 -0.334 0.000 1.004 134 E CA 1.924 58.202 56.400 -0.203 0.000 0.805 134 E CB -0.172 29.505 29.700 -0.039 0.000 0.744 134 E HN 0.542 nan 8.360 nan 0.000 0.451 135 R N 0.073 120.431 120.500 -0.235 0.000 2.081 135 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 135 R C 2.663 178.706 176.300 -0.428 0.000 1.131 135 R CA 1.741 57.602 56.100 -0.398 0.000 0.960 135 R CB -0.334 29.917 30.300 -0.083 0.000 0.856 135 R HN 0.332 nan 8.270 nan 0.000 0.436 136 Q N 0.469 120.172 119.800 -0.161 0.000 2.077 136 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 136 Q C 1.889 177.717 176.000 -0.286 0.000 0.989 136 Q CA 1.394 57.151 55.803 -0.078 0.000 0.853 136 Q CB -0.209 28.550 28.738 0.034 0.000 0.907 136 Q HN 0.367 nan 8.270 nan 0.000 0.418 137 N N 0.308 118.754 118.700 -0.425 0.000 2.120 137 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 137 N C 1.702 176.991 175.510 -0.369 0.000 1.024 137 N CA 1.311 54.112 53.050 -0.415 0.000 0.852 137 N CB -0.260 37.931 38.487 -0.494 0.000 1.003 137 N HN 0.243 nan 8.380 nan 0.000 0.424 138 A N 1.899 124.437 122.820 -0.470 0.000 1.835 138 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 138 A C 2.339 179.703 177.584 -0.365 0.000 1.199 138 A CA 1.102 52.847 52.037 -0.487 0.000 0.615 138 A CB -0.932 17.465 19.000 -1.005 0.000 0.838 138 A HN 0.203 nan 8.150 nan 0.000 0.444 139 I N -1.059 119.227 120.570 -0.474 0.000 2.248 139 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 139 I C 2.723 178.740 176.117 -0.167 0.000 1.107 139 I CA 2.105 63.176 61.300 -0.382 0.000 1.373 139 I CB -0.212 37.381 38.000 -0.679 0.000 1.055 139 I HN 0.536 nan 8.210 nan 0.000 0.418 140 M N 0.284 119.739 119.600 -0.241 0.000 2.398 140 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 140 M C 1.697 177.807 176.300 -0.318 0.000 1.125 140 M CA 1.592 56.668 55.300 -0.374 0.000 1.183 140 M CB 0.219 32.489 32.600 -0.550 0.000 1.322 140 M HN -0.102 nan 8.290 nan 0.000 0.467 141 K N -0.073 120.170 120.400 -0.261 0.000 2.374 141 K HA 0.254 4.574 4.320 -0.000 0.000 0.196 141 K C 0.668 177.193 176.600 -0.124 0.000 1.023 141 K CA 0.519 56.693 56.287 -0.188 0.000 1.103 141 K CB 0.439 32.827 32.500 -0.186 0.000 0.848 141 K HN 0.618 nan 8.250 nan 0.000 0.528 142 G N 2.205 110.928 108.800 -0.127 0.000 2.225 142 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.267 142 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.267 142 G C 0.082 174.935 174.900 -0.077 0.000 1.024 142 G CA 0.045 45.098 45.100 -0.079 0.000 0.784 142 G HN 0.151 nan 8.290 nan 0.000 0.507 143 L N -0.360 120.789 121.223 -0.124 0.000 2.476 143 L HA 0.318 4.658 4.340 -0.000 0.000 0.255 143 L C 0.968 177.791 176.870 -0.078 0.000 1.218 143 L CA -0.488 54.293 54.840 -0.098 0.000 0.819 143 L CB 0.239 42.219 42.059 -0.132 0.000 1.119 143 L HN 0.099 nan 8.230 nan 0.000 0.485 144 D N 0.474 120.859 120.400 -0.026 0.000 2.329 144 D HA 0.339 4.979 4.640 -0.000 0.000 0.246 144 D C -0.474 175.837 176.300 0.017 0.000 1.111 144 D CA -0.082 53.936 54.000 0.030 0.000 0.941 144 D CB 1.910 42.775 40.800 0.108 0.000 1.169 144 D HN 0.236 nan 8.370 nan 0.000 0.441 145 I N 1.260 121.876 120.570 0.077 0.000 2.607 145 I HA 0.283 4.453 4.170 -0.000 0.000 0.305 145 I C -2.375 173.852 176.117 0.183 0.000 0.995 145 I CA -2.570 58.782 61.300 0.087 0.000 1.148 145 I CB 2.160 40.240 38.000 0.133 0.000 1.323 145 I HN 0.027 nan 8.210 nan 0.000 0.461 146 P HA -0.024 nan 4.420 nan 0.000 0.266 146 P C -0.341 177.145 177.300 0.310 0.000 1.195 146 P CA 0.204 63.415 63.100 0.184 0.000 0.768 146 P CB 0.191 31.955 31.700 0.106 0.000 0.838 147 Y N 0.385 120.709 120.300 0.040 0.000 2.403 147 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 147 Y C 2.272 178.194 175.900 0.037 0.000 1.143 147 Y CA 1.155 59.278 58.100 0.038 0.000 1.257 147 Y CB -0.946 37.530 38.460 0.027 0.000 0.984 147 Y HN 0.266 nan 8.280 nan 0.000 0.550 148 S N -0.921 114.897 115.700 0.197 0.000 2.539 148 S HA 0.034 4.504 4.470 -0.000 0.000 0.221 148 S C 0.449 175.112 174.600 0.106 0.000 0.987 148 S CA -0.402 57.871 58.200 0.122 0.000 0.929 148 S CB -0.130 63.123 63.200 0.088 0.000 0.832 148 S HN 0.400 nan 8.310 nan 0.000 0.492 149 E N 3.532 123.806 120.200 0.123 0.000 2.351 149 E HA 0.082 4.432 4.350 -0.000 0.000 0.266 149 E C -2.385 174.287 176.600 0.120 0.000 1.031 149 E CA -1.612 54.860 56.400 0.120 0.000 0.911 149 E CB 0.634 30.416 29.700 0.137 0.000 0.986 149 E HN 0.187 nan 8.360 nan 0.000 0.446 150 P HA 0.257 nan 4.420 nan 0.000 0.281 150 P C -0.910 176.464 177.300 0.123 0.000 1.249 150 P CA -0.412 62.761 63.100 0.123 0.000 0.810 150 P CB 0.908 32.678 31.700 0.116 0.000 1.008 151 I N -2.864 117.779 120.570 0.121 0.000 3.006 151 I HA 0.463 4.633 4.170 -0.000 0.000 0.306 151 I C -0.619 175.524 176.117 0.043 0.000 1.250 151 I CA -1.293 60.051 61.300 0.074 0.000 0.996 151 I CB 1.456 39.462 38.000 0.009 0.000 1.261 151 I HN 0.193 nan 8.210 nan 0.000 0.442 152 E N 3.811 124.011 120.200 0.000 0.000 2.259 152 E HA 0.255 4.605 4.350 -0.000 0.000 0.281 152 E C -2.059 174.482 176.600 -0.099 0.000 1.037 152 E CA -1.399 54.962 56.400 -0.064 0.000 0.854 152 E CB 0.711 30.398 29.700 -0.022 0.000 1.051 152 E HN 0.445 nan 8.360 nan 0.000 0.409 153 P HA -0.247 nan 4.420 nan 0.000 0.215 153 P C 1.500 178.781 177.300 -0.032 0.000 1.157 153 P CA 1.235 64.289 63.100 -0.077 0.000 0.868 153 P CB -0.095 31.492 31.700 -0.188 0.000 0.788 154 C N -0.257 119.011 119.300 -0.053 0.000 2.398 154 C HA -0.157 4.303 4.460 -0.000 0.000 0.279 154 C C 2.247 177.221 174.990 -0.026 0.000 1.250 154 C CA 0.719 59.716 59.018 -0.036 0.000 1.786 154 C CB -1.940 25.826 27.740 0.045 0.000 2.018 154 C HN 0.182 nan 8.230 nan 0.000 0.494 155 K N 0.188 120.579 120.400 -0.016 0.000 2.103 155 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 155 K C 2.126 178.747 176.600 0.035 0.000 1.052 155 K CA 0.731 57.029 56.287 0.018 0.000 0.945 155 K CB -0.329 32.191 32.500 0.033 0.000 0.722 155 K HN 0.370 nan 8.250 nan 0.000 0.443 156 L N 0.993 122.179 121.223 -0.061 0.000 2.191 156 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 156 L C 0.820 177.659 176.870 -0.052 0.000 1.103 156 L CA 0.921 55.741 54.840 -0.035 0.000 0.769 156 L CB -0.850 41.230 42.059 0.034 0.000 0.908 156 L HN 0.039 nan 8.230 nan 0.000 0.438 157 F N 1.644 121.294 119.950 -0.499 0.000 2.628 157 F HA 0.042 4.569 4.527 -0.000 0.000 0.362 157 F C 0.781 176.287 175.800 -0.489 0.000 1.148 157 F CA 0.634 58.053 58.000 -0.968 0.000 1.352 157 F CB 0.282 38.777 39.000 -0.842 0.000 1.081 157 F HN 0.001 nan 8.300 nan 0.000 0.605 158 R N 2.321 121.870 120.500 -1.585 0.000 2.781 158 R HA 0.312 4.652 4.340 -0.000 0.000 0.269 158 R C -1.179 174.433 176.300 -1.147 0.000 1.025 158 R CA -1.109 54.494 56.100 -0.829 0.000 0.914 158 R CB 1.517 31.622 30.300 -0.325 0.000 1.236 158 R HN 0.589 nan 8.270 nan 0.000 0.465 159 S N 0.189 115.652 115.700 -0.394 0.000 2.545 159 S HA 0.430 4.900 4.470 -0.000 0.000 0.275 159 S C -0.262 174.294 174.600 -0.073 0.000 1.299 159 S CA -0.494 57.620 58.200 -0.144 0.000 1.048 159 S CB 1.195 64.412 63.200 0.027 0.000 0.938 159 S HN 0.307 nan 8.310 nan 0.000 0.496 160 V N 2.294 122.227 119.914 0.033 0.000 3.102 160 V HA 0.683 4.803 4.120 -0.000 0.000 0.312 160 V C 0.943 177.086 176.094 0.082 0.000 1.135 160 V CA -0.175 62.165 62.300 0.066 0.000 1.022 160 V CB 1.579 33.468 31.823 0.110 0.000 1.056 160 V HN 0.950 nan 8.190 nan 0.000 0.436 161 A N 3.299 126.152 122.820 0.055 0.000 1.870 161 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 161 A C 2.060 179.685 177.584 0.069 0.000 1.286 161 A CA 3.056 55.123 52.037 0.049 0.000 0.682 161 A CB -1.716 17.301 19.000 0.030 0.000 0.844 161 A HN 1.704 nan 8.150 nan 0.000 0.460 162 G N 0.054 108.901 108.800 0.077 0.000 2.806 162 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.214 162 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.214 162 G C 0.858 175.834 174.900 0.126 0.000 1.331 162 G CA 1.136 46.294 45.100 0.096 0.000 0.807 162 G HN 0.991 nan 8.290 nan 0.000 0.644 163 Q N -0.346 119.563 119.800 0.181 0.000 2.256 163 Q HA 0.460 4.800 4.340 -0.000 0.000 0.254 163 Q C 0.686 176.825 176.000 0.231 0.000 0.916 163 Q CA 0.123 56.051 55.803 0.209 0.000 0.932 163 Q CB 1.724 30.626 28.738 0.273 0.000 1.207 163 Q HN 0.175 nan 8.270 nan 0.000 0.426 164 T N 1.840 116.503 114.554 0.182 0.000 2.770 164 T HA 0.122 4.472 4.350 -0.000 0.000 0.263 164 T C 0.632 175.486 174.700 0.256 0.000 1.039 164 T CA 1.267 63.471 62.100 0.173 0.000 1.142 164 T CB -0.291 68.641 68.868 0.107 0.000 0.868 164 T HN 0.763 nan 8.240 nan 0.000 0.435 165 G N -0.545 108.388 108.800 0.221 0.000 2.788 165 G HA2 0.469 4.429 3.960 -0.000 0.000 0.293 165 G HA3 0.469 4.429 3.960 -0.000 0.000 0.293 165 G C 0.149 175.005 174.900 -0.073 0.000 1.305 165 G CA -0.290 44.907 45.100 0.162 0.000 1.005 165 G HN 0.267 nan 8.290 nan 0.000 0.496 166 N N -1.303 117.064 118.700 -0.554 0.000 2.591 166 N HA 0.028 4.768 4.740 -0.000 0.000 0.200 166 N C 1.912 177.341 175.510 -0.136 0.000 1.040 166 N CA 0.207 52.831 53.050 -0.710 0.000 0.911 166 N CB 0.143 37.705 38.487 -1.541 0.000 1.259 166 N HN 0.273 nan 8.380 nan 0.000 0.438 167 I N 1.449 121.927 120.570 -0.153 0.000 2.439 167 I HA 0.014 4.184 4.170 -0.000 0.000 0.251 167 I C -0.783 175.329 176.117 -0.008 0.000 1.139 167 I CA 0.734 61.995 61.300 -0.066 0.000 1.438 167 I CB -2.086 35.789 38.000 -0.209 0.000 1.085 167 I HN 0.137 nan 8.210 nan 0.000 0.427 168 P HA -0.158 nan 4.420 nan 0.000 0.215 168 P C 1.987 179.299 177.300 0.020 0.000 1.157 168 P CA 1.288 64.382 63.100 -0.008 0.000 0.874 168 P CB -0.117 31.581 31.700 -0.003 0.000 0.790 169 M N -2.031 117.588 119.600 0.032 0.000 2.426 169 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 169 M C 2.079 178.394 176.300 0.026 0.000 1.068 169 M CA 1.463 56.767 55.300 0.006 0.000 1.066 169 M CB -1.342 31.232 32.600 -0.044 0.000 1.399 169 M HN 0.123 nan 8.290 nan 0.000 0.449 170 M N -0.064 119.625 119.600 0.147 0.000 2.108 170 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 170 M C 2.011 178.349 176.300 0.063 0.000 1.066 170 M CA 2.125 57.545 55.300 0.199 0.000 1.107 170 M CB -0.476 32.213 32.600 0.149 0.000 1.356 170 M HN 0.313 nan 8.290 nan 0.000 0.406 171 G N 0.290 109.102 108.800 0.020 0.000 2.402 171 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 171 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 171 G C 1.397 176.287 174.900 -0.016 0.000 1.162 171 G CA 0.909 46.007 45.100 -0.003 0.000 0.777 171 G HN 0.512 nan 8.290 nan 0.000 0.539 172 I N 0.500 121.056 120.570 -0.025 0.000 2.179 172 I HA -0.125 4.045 4.170 -0.000 0.000 0.242 172 I C 2.607 178.676 176.117 -0.079 0.000 1.088 172 I CA 0.775 62.049 61.300 -0.043 0.000 1.357 172 I CB -0.264 37.712 38.000 -0.041 0.000 1.051 172 I HN 0.100 nan 8.210 nan 0.000 0.409 173 L N 0.596 121.744 121.223 -0.125 0.000 2.353 173 L HA -0.154 4.186 4.340 -0.000 0.000 0.220 173 L C 2.349 179.149 176.870 -0.116 0.000 1.133 173 L CA 0.871 55.588 54.840 -0.204 0.000 0.798 173 L CB -0.559 41.305 42.059 -0.326 0.000 0.922 173 L HN 0.261 nan 8.230 nan 0.000 0.445 174 A N -1.278 121.509 122.820 -0.055 0.000 2.308 174 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 174 A C 0.801 178.369 177.584 -0.028 0.000 1.216 174 A CA 0.049 52.068 52.037 -0.029 0.000 0.864 174 A CB -0.165 18.831 19.000 -0.006 0.000 0.902 174 A HN 0.212 nan 8.150 nan 0.000 0.499 175 T N 2.779 117.312 114.554 -0.035 0.000 2.744 175 T HA 0.447 4.798 4.350 -0.000 0.000 0.291 175 T C -2.708 171.976 174.700 -0.026 0.000 0.957 175 T CA -1.079 61.006 62.100 -0.025 0.000 1.002 175 T CB 1.209 70.063 68.868 -0.022 0.000 0.919 175 T HN 0.041 nan 8.240 nan 0.000 0.468 176 P HA 0.097 nan 4.420 nan 0.000 0.264 176 P C -2.181 175.112 177.300 -0.012 0.000 1.179 176 P CA -0.810 62.282 63.100 -0.014 0.000 0.763 176 P CB -0.133 31.562 31.700 -0.008 0.000 0.806 177 P HA 0.158 nan 4.420 nan 0.000 0.279 177 P C -0.254 177.048 177.300 0.003 0.000 1.252 177 P CA -0.290 62.808 63.100 -0.003 0.000 0.811 177 P CB 1.317 33.017 31.700 -0.000 0.000 1.035 178 A N 1.762 124.587 122.820 0.007 0.000 1.878 178 A HA 0.467 4.787 4.320 -0.000 0.000 0.213 178 A C 1.088 178.680 177.584 0.013 0.000 1.192 178 A CA 1.570 53.613 52.037 0.009 0.000 0.619 178 A CB -0.693 18.313 19.000 0.010 0.000 0.837 178 A HN 0.790 nan 8.150 nan 0.000 0.446 179 A N -1.702 121.128 122.820 0.018 0.000 2.568 179 A HA 0.569 4.889 4.320 -0.000 0.000 0.291 179 A C -0.615 176.987 177.584 0.029 0.000 1.159 179 A CA -0.313 51.738 52.037 0.023 0.000 0.679 179 A CB 0.066 19.080 19.000 0.024 0.000 1.285 179 A HN 0.260 nan 8.150 nan 0.000 0.428 180 Q N 0.699 120.521 119.800 0.036 0.000 2.239 180 Q HA 0.119 4.459 4.340 -0.000 0.000 0.286 180 Q C -0.072 175.957 176.000 0.048 0.000 1.102 180 Q CA 0.687 56.517 55.803 0.046 0.000 0.936 180 Q CB 0.162 28.934 28.738 0.057 0.000 1.127 180 Q HN 0.613 nan 8.270 nan 0.000 0.380 181 Q N 2.232 122.064 119.800 0.053 0.000 2.171 181 Q HA 0.193 4.533 4.340 -0.000 0.000 0.217 181 Q C -0.612 175.437 176.000 0.082 0.000 0.995 181 Q CA -0.599 55.242 55.803 0.063 0.000 0.979 181 Q CB 1.001 29.776 28.738 0.062 0.000 1.152 181 Q HN 0.628 nan 8.270 nan 0.000 0.525 182 Q N 1.023 120.879 119.800 0.093 0.000 2.396 182 Q HA 0.216 4.556 4.340 -0.000 0.000 0.221 182 Q C -2.188 173.908 176.000 0.160 0.000 1.025 182 Q CA -1.334 54.532 55.803 0.104 0.000 0.946 182 Q CB 0.415 29.210 28.738 0.095 0.000 1.224 182 Q HN 0.343 nan 8.270 nan 0.000 0.539 183 P HA 0.089 nan 4.420 nan 0.000 0.275 183 P C -1.388 176.069 177.300 0.262 0.000 1.228 183 P CA 0.033 63.251 63.100 0.197 0.000 0.786 183 P CB 0.308 32.147 31.700 0.231 0.000 0.927 184 F N 0.121 120.204 119.950 0.221 0.000 2.532 184 F HA 0.695 5.222 4.527 -0.000 0.000 0.321 184 F C -1.418 174.560 175.800 0.297 0.000 1.089 184 F CA -1.583 56.533 58.000 0.193 0.000 0.926 184 F CB 1.375 40.399 39.000 0.040 0.000 1.168 184 F HN 0.040 nan 8.300 nan 0.000 0.459 185 F N 4.517 124.636 119.950 0.281 0.000 2.564 185 F HA 0.543 5.070 4.527 -0.000 0.000 0.368 185 F C -0.417 175.638 175.800 0.425 0.000 1.127 185 F CA -1.076 57.077 58.000 0.255 0.000 1.170 185 F CB 1.165 40.278 39.000 0.187 0.000 1.397 185 F HN 0.624 nan 8.300 nan 0.000 0.493 186 V N 1.138 121.199 119.914 0.245 0.000 2.973 186 V HA 0.983 5.103 4.120 -0.000 0.000 0.314 186 V C -0.269 175.950 176.094 0.209 0.000 1.066 186 V CA -0.682 61.686 62.300 0.113 0.000 1.021 186 V CB 1.396 32.896 31.823 -0.539 0.000 1.076 186 V HN 0.696 nan 8.190 nan 0.000 0.462 187 A N 1.656 124.642 122.820 0.277 0.000 2.449 187 A HA 0.813 5.133 4.320 -0.000 0.000 0.302 187 A C -0.491 177.176 177.584 0.138 0.000 1.048 187 A CA -0.736 51.426 52.037 0.209 0.000 0.708 187 A CB 1.653 20.783 19.000 0.217 0.000 1.274 187 A HN 0.962 nan 8.150 nan 0.000 0.410 188 E N 0.053 120.187 120.200 -0.110 0.000 2.672 188 E HA 0.426 4.776 4.350 -0.000 0.000 0.235 188 E C 0.674 177.111 176.600 -0.272 0.000 0.906 188 E CA -0.952 55.162 56.400 -0.476 0.000 0.973 188 E CB 1.004 30.284 29.700 -0.699 0.000 1.478 188 E HN 0.611 nan 8.360 nan 0.000 0.430 189 R N 0.427 120.763 120.500 -0.274 0.000 2.055 189 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 189 R C 2.095 178.300 176.300 -0.158 0.000 1.135 189 R CA 1.090 57.119 56.100 -0.119 0.000 0.959 189 R CB 0.007 30.287 30.300 -0.033 0.000 0.854 189 R HN 0.225 nan 8.270 nan 0.000 0.431 190 R N 0.637 121.049 120.500 -0.147 0.000 2.362 190 R HA 0.074 4.414 4.340 -0.000 0.000 0.227 190 R C -0.163 176.099 176.300 -0.064 0.000 0.905 190 R CA 0.025 56.082 56.100 -0.071 0.000 1.067 190 R CB 0.409 30.721 30.300 0.020 0.000 1.078 190 R HN 0.093 nan 8.270 nan 0.000 0.516 191 R N -0.849 119.533 120.500 -0.197 0.000 2.795 191 R HA 0.395 4.735 4.340 -0.000 0.000 0.268 191 R C -1.438 174.741 176.300 -0.201 0.000 1.041 191 R CA -0.938 55.109 56.100 -0.089 0.000 0.927 191 R CB 0.924 31.255 30.300 0.052 0.000 1.235 191 R HN -0.092 nan 8.270 nan 0.000 0.463 192 I N 2.358 122.929 120.570 0.002 0.000 2.499 192 I HA 0.423 4.593 4.170 -0.000 0.000 0.288 192 I C -1.279 174.804 176.117 -0.056 0.000 1.048 192 I CA -1.214 60.087 61.300 0.002 0.000 1.062 192 I CB 1.851 39.941 38.000 0.149 0.000 1.238 192 I HN 0.616 nan 8.210 nan 0.000 0.426 193 L N 7.996 129.143 121.223 -0.127 0.000 2.334 193 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 193 L C -0.853 175.812 176.870 -0.340 0.000 1.013 193 L CA -0.811 53.897 54.840 -0.221 0.000 0.816 193 L CB 1.879 43.867 42.059 -0.119 0.000 1.278 193 L HN 0.596 nan 8.230 nan 0.000 0.431 194 F N -0.403 119.171 119.950 -0.627 0.000 2.713 194 F HA 0.939 5.465 4.527 -0.000 0.000 0.311 194 F C -0.326 174.843 175.800 -1.053 0.000 1.141 194 F CA -0.430 56.984 58.000 -0.977 0.000 0.939 194 F CB 1.675 40.065 39.000 -1.017 0.000 1.325 194 F HN 0.696 nan 8.300 nan 0.000 0.453 195 G N 0.872 108.938 108.800 -1.223 0.000 2.343 195 G HA2 0.442 4.402 3.960 -0.000 0.000 0.289 195 G HA3 0.442 4.402 3.960 -0.000 0.000 0.289 195 G C -2.450 171.962 174.900 -0.814 0.000 1.295 195 G CA -0.613 43.856 45.100 -1.051 0.000 0.869 195 G HN 0.938 nan 8.290 nan 0.000 0.522 196 I N 0.647 120.667 120.570 -0.917 0.000 2.619 196 I HA 0.501 4.671 4.170 -0.000 0.000 0.292 196 I C -0.102 175.895 176.117 -0.199 0.000 1.100 196 I CA -0.994 60.121 61.300 -0.307 0.000 1.043 196 I CB 2.497 40.401 38.000 -0.160 0.000 1.239 196 I HN 0.689 nan 8.210 nan 0.000 0.420 197 R N 3.494 124.014 120.500 0.033 0.000 2.589 197 R HA 0.851 5.191 4.340 -0.000 0.000 0.293 197 R C -0.882 175.434 176.300 0.027 0.000 0.963 197 R CA -0.711 55.401 56.100 0.020 0.000 0.905 197 R CB 2.269 32.578 30.300 0.016 0.000 1.144 197 R HN 0.568 nan 8.270 nan 0.000 0.459 198 S N 0.184 115.898 115.700 0.024 0.000 2.596 198 S HA 0.189 4.659 4.470 -0.000 0.000 0.270 198 S C -0.139 174.473 174.600 0.021 0.000 1.155 198 S CA -0.830 57.387 58.200 0.029 0.000 0.827 198 S CB 1.485 64.711 63.200 0.043 0.000 1.130 198 S HN 0.858 nan 8.310 nan 0.000 0.467 199 N N 1.684 120.396 118.700 0.019 0.000 2.392 199 N HA 0.215 4.955 4.740 -0.000 0.000 0.177 199 N C 0.441 175.961 175.510 0.017 0.000 1.066 199 N CA 0.385 53.443 53.050 0.014 0.000 0.895 199 N CB -0.291 38.203 38.487 0.012 0.000 0.988 199 N HN 0.568 nan 8.380 nan 0.000 0.457 200 A N 0.386 123.220 122.820 0.023 0.000 2.288 200 A HA 0.817 5.137 4.320 -0.000 0.000 0.328 200 A C -0.017 177.585 177.584 0.031 0.000 1.123 200 A CA -0.378 51.674 52.037 0.025 0.000 0.861 200 A CB 0.734 19.751 19.000 0.028 0.000 1.272 200 A HN 0.357 nan 8.150 nan 0.000 0.490 201 A N -0.193 122.644 122.820 0.029 0.000 2.366 201 A HA 0.602 4.922 4.320 -0.000 0.000 0.249 201 A C -0.237 177.376 177.584 0.048 0.000 1.084 201 A CA -0.089 51.967 52.037 0.031 0.000 0.794 201 A CB -0.108 18.906 19.000 0.023 0.000 1.034 201 A HN 0.668 nan 8.150 nan 0.000 0.491 202 I N 2.444 123.044 120.570 0.050 0.000 2.389 202 I HA 0.304 4.474 4.170 -0.000 0.000 0.288 202 I C -2.054 174.106 176.117 0.071 0.000 0.999 202 I CA -2.180 59.161 61.300 0.069 0.000 1.129 202 I CB 2.115 40.145 38.000 0.050 0.000 1.288 202 I HN 0.521 nan 8.210 nan 0.000 0.444 203 P HA 0.042 nan 4.420 nan 0.000 0.267 203 P C -0.478 176.924 177.300 0.170 0.000 1.200 203 P CA -0.262 62.915 63.100 0.129 0.000 0.772 203 P CB 0.792 32.568 31.700 0.128 0.000 0.855 204 A N 2.006 124.886 122.820 0.100 0.000 2.440 204 A HA 0.582 4.902 4.320 -0.000 0.000 0.251 204 A C 0.818 178.477 177.584 0.124 0.000 1.089 204 A CA 0.869 52.965 52.037 0.098 0.000 0.779 204 A CB -0.704 18.324 19.000 0.047 0.000 1.022 204 A HN 0.865 nan 8.150 nan 0.000 0.492 205 G N -0.445 108.458 108.800 0.171 0.000 2.344 205 G HA2 0.616 4.576 3.960 -0.000 0.000 0.282 205 G HA3 0.616 4.576 3.960 -0.000 0.000 0.282 205 G C -0.730 174.163 174.900 -0.012 0.000 1.281 205 G CA -0.010 45.107 45.100 0.029 0.000 0.877 205 G HN 1.810 nan 8.290 nan 0.000 0.494 206 A N -0.385 122.295 122.820 -0.233 0.000 2.260 206 A HA 0.791 5.111 4.320 -0.000 0.000 0.308 206 A C -1.302 176.006 177.584 -0.460 0.000 1.254 206 A CA -0.301 51.626 52.037 -0.183 0.000 0.874 206 A CB 0.136 19.070 19.000 -0.110 0.000 1.153 206 A HN 0.752 nan 8.150 nan 0.000 0.527 207 Y N 0.624 120.936 120.300 0.020 0.000 2.429 207 Y HA 0.550 5.100 4.550 -0.000 0.000 0.342 207 Y C 0.373 176.208 175.900 -0.108 0.000 1.004 207 Y CA -0.511 57.549 58.100 -0.067 0.000 1.075 207 Y CB 2.084 40.507 38.460 -0.061 0.000 1.214 207 Y HN 0.725 nan 8.280 nan 0.000 0.455 208 Q N 2.083 121.804 119.800 -0.131 0.000 2.293 208 Q HA 0.583 4.923 4.340 -0.000 0.000 0.261 208 Q C -1.973 173.844 176.000 -0.304 0.000 0.960 208 Q CA -0.376 55.360 55.803 -0.112 0.000 0.882 208 Q CB 0.809 29.498 28.738 -0.083 0.000 1.275 208 Q HN 0.533 nan 8.270 nan 0.000 0.445 209 F N 2.171 122.117 119.950 -0.007 0.000 2.507 209 F HA 0.466 4.993 4.527 -0.000 0.000 0.325 209 F C -0.546 175.142 175.800 -0.187 0.000 1.116 209 F CA -1.061 56.892 58.000 -0.078 0.000 0.930 209 F CB 1.486 40.412 39.000 -0.124 0.000 1.146 209 F HN 0.172 nan 8.300 nan 0.000 0.447 210 V N 3.970 123.848 119.914 -0.060 0.000 2.498 210 V HA 0.339 4.459 4.120 -0.000 0.000 0.279 210 V C -0.039 175.790 176.094 -0.440 0.000 1.048 210 V CA -1.002 61.187 62.300 -0.187 0.000 0.967 210 V CB 1.215 32.946 31.823 -0.152 0.000 0.988 210 V HN 0.594 nan 8.190 nan 0.000 0.473 211 V N 3.797 123.409 119.914 -0.504 0.000 2.488 211 V HA 0.426 4.546 4.120 -0.000 0.000 0.277 211 V C -2.141 173.515 176.094 -0.730 0.000 1.046 211 V CA -1.945 59.835 62.300 -0.867 0.000 0.986 211 V CB 0.219 31.719 31.823 -0.539 0.000 0.989 211 V HN 0.729 nan 8.190 nan 0.000 0.475 212 P HA 0.148 nan 4.420 nan 0.000 0.267 212 P C 0.943 177.922 177.300 -0.535 0.000 1.201 212 P CA 0.582 63.281 63.100 -0.668 0.000 0.775 212 P CB 0.679 31.870 31.700 -0.849 0.000 0.854 213 A N 3.271 125.944 122.820 -0.245 0.000 2.139 213 A HA -0.164 4.156 4.320 -0.000 0.000 0.221 213 A C 1.677 179.244 177.584 -0.028 0.000 1.159 213 A CA 1.414 53.385 52.037 -0.109 0.000 0.662 213 A CB -1.247 17.742 19.000 -0.019 0.000 0.796 213 A HN 0.843 nan 8.150 nan 0.000 0.463 214 W N -2.357 118.909 121.300 -0.055 0.000 2.539 214 W HA 0.390 5.050 4.660 -0.000 0.000 0.281 214 W C 1.591 178.137 176.519 0.045 0.000 1.220 214 W CA 0.641 57.978 57.345 -0.014 0.000 1.332 214 W CB -0.691 28.732 29.460 -0.062 0.000 1.095 214 W HN 0.308 nan 8.180 nan 0.000 0.571 215 A N 1.584 124.042 122.820 -0.602 0.000 2.238 215 A HA 0.022 4.342 4.320 -0.000 0.000 0.208 215 A C 1.822 179.307 177.584 -0.166 0.000 1.177 215 A CA 1.012 52.808 52.037 -0.403 0.000 0.804 215 A CB -0.935 17.593 19.000 -0.787 0.000 0.823 215 A HN 0.273 nan 8.150 nan 0.000 0.482 216 S N -0.879 114.719 115.700 -0.170 0.000 2.754 216 S HA 0.193 4.663 4.470 -0.000 0.000 0.223 216 S C 0.707 175.297 174.600 -0.016 0.000 0.951 216 S CA 0.684 58.826 58.200 -0.097 0.000 0.954 216 S CB -0.143 62.988 63.200 -0.114 0.000 0.780 216 S HN 0.250 nan 8.310 nan 0.000 0.509 217 V N -0.228 119.704 119.914 0.029 0.000 3.426 217 V HA 0.329 4.449 4.120 -0.000 0.000 0.271 217 V C 0.740 176.878 176.094 0.074 0.000 1.530 217 V CA -0.254 62.078 62.300 0.054 0.000 1.021 217 V CB -0.138 31.735 31.823 0.084 0.000 0.824 217 V HN 0.437 nan 8.190 nan 0.000 0.432 218 L N 0.974 122.263 121.223 0.111 0.000 2.476 218 L HA 0.433 4.773 4.340 -0.000 0.000 0.264 218 L C 0.384 177.296 176.870 0.070 0.000 1.224 218 L CA 0.784 55.717 54.840 0.154 0.000 0.821 218 L CB 0.959 43.188 42.059 0.283 0.000 1.101 218 L HN 0.323 nan 8.230 nan 0.000 0.488 219 S N 0.634 116.338 115.700 0.007 0.000 2.584 219 S HA 0.553 5.023 4.470 -0.000 0.000 0.280 219 S C -1.031 173.377 174.600 -0.321 0.000 1.162 219 S CA -0.738 57.387 58.200 -0.125 0.000 0.951 219 S CB 1.289 64.447 63.200 -0.070 0.000 1.108 219 S HN 0.474 nan 8.310 nan 0.000 0.464 220 V N 1.736 121.308 119.914 -0.570 0.000 3.019 220 V HA 1.040 5.160 4.120 -0.000 0.000 0.317 220 V C -0.276 175.497 176.094 -0.534 0.000 1.094 220 V CA -0.342 61.515 62.300 -0.739 0.000 1.000 220 V CB 1.390 32.537 31.823 -1.127 0.000 1.060 220 V HN 1.143 nan 8.190 nan 0.000 0.443 221 T N -2.287 112.027 114.554 -0.399 0.000 2.868 221 T HA 0.677 5.027 4.350 -0.000 0.000 0.306 221 T C 0.604 175.178 174.700 -0.210 0.000 1.224 221 T CA -0.057 61.892 62.100 -0.251 0.000 1.012 221 T CB 1.014 69.792 68.868 -0.150 0.000 1.221 221 T HN 2.521 nan 8.240 nan 0.000 0.499 222 G N 0.288 108.986 108.800 -0.170 0.000 2.390 222 G HA2 0.193 4.153 3.960 -0.000 0.000 0.299 222 G HA3 0.193 4.153 3.960 -0.000 0.000 0.299 222 G C 0.275 175.058 174.900 -0.194 0.000 1.002 222 G CA 0.164 45.164 45.100 -0.167 0.000 0.979 222 G HN 1.479 nan 8.290 nan 0.000 0.513 223 A N -0.359 122.329 122.820 -0.221 0.000 2.325 223 A HA 0.830 5.150 4.320 -0.000 0.000 0.333 223 A C -0.607 176.907 177.584 -0.117 0.000 1.155 223 A CA -0.747 51.215 52.037 -0.125 0.000 0.814 223 A CB 1.070 19.971 19.000 -0.166 0.000 1.206 223 A HN 0.559 nan 8.150 nan 0.000 0.482 224 Y N 0.977 121.368 120.300 0.151 0.000 2.328 224 Y HA 0.459 5.009 4.550 -0.000 0.000 0.337 224 Y C -0.059 176.037 175.900 0.328 0.000 0.966 224 Y CA -0.438 57.786 58.100 0.207 0.000 1.136 224 Y CB 2.026 40.585 38.460 0.164 0.000 1.170 224 Y HN 0.369 nan 8.280 nan 0.000 0.470 225 V N 5.876 126.036 119.914 0.409 0.000 2.370 225 V HA 0.439 4.559 4.120 -0.000 0.000 0.283 225 V C -0.834 175.386 176.094 0.210 0.000 1.023 225 V CA -0.764 61.687 62.300 0.251 0.000 0.857 225 V CB 0.238 32.220 31.823 0.265 0.000 0.985 225 V HN 0.702 nan 8.190 nan 0.000 0.443 226 Y N 2.269 122.514 120.300 -0.091 0.000 2.705 226 Y HA 0.714 5.264 4.550 -0.000 0.000 0.332 226 Y C -1.261 174.498 175.900 -0.235 0.000 1.221 226 Y CA -2.431 55.560 58.100 -0.182 0.000 1.059 226 Y CB 0.952 39.395 38.460 -0.029 0.000 1.298 226 Y HN 0.348 nan 8.280 nan 0.000 0.459 227 F N 1.294 121.315 119.950 0.118 0.000 2.424 227 F HA 0.561 5.088 4.527 -0.000 0.000 0.356 227 F C 0.680 176.533 175.800 0.089 0.000 1.110 227 F CA 0.110 58.130 58.000 0.033 0.000 1.161 227 F CB 1.510 40.557 39.000 0.079 0.000 1.115 227 F HN 0.684 nan 8.300 nan 0.000 0.507 228 T N 2.196 116.855 114.554 0.175 0.000 2.865 228 T HA 0.257 4.607 4.350 -0.000 0.000 0.294 228 T C 0.039 174.797 174.700 0.098 0.000 1.119 228 T CA -0.783 61.407 62.100 0.150 0.000 1.007 228 T CB 1.196 70.120 68.868 0.093 0.000 1.225 228 T HN 0.726 nan 8.240 nan 0.000 0.515 229 N N 0.552 119.307 118.700 0.090 0.000 2.194 229 N HA 0.146 4.886 4.740 -0.000 0.000 0.231 229 N C -0.272 175.273 175.510 0.058 0.000 1.247 229 N CA -0.466 52.620 53.050 0.059 0.000 0.884 229 N CB 0.916 39.434 38.487 0.051 0.000 1.146 229 N HN 0.295 nan 8.380 nan 0.000 0.516 230 S N 0.424 116.171 115.700 0.078 0.000 2.503 230 S HA 0.614 5.084 4.470 -0.000 0.000 0.301 230 S C -1.720 172.979 174.600 0.165 0.000 1.087 230 S CA -0.581 57.678 58.200 0.098 0.000 1.042 230 S CB 0.972 64.219 63.200 0.078 0.000 1.043 230 S HN 0.239 nan 8.310 nan 0.000 0.489 231 F N 5.450 125.392 119.950 -0.014 0.000 2.646 231 F HA 0.544 5.071 4.527 -0.000 0.000 0.364 231 F C -0.582 175.283 175.800 0.109 0.000 1.137 231 F CA -1.442 56.548 58.000 -0.016 0.000 1.085 231 F CB -0.269 38.722 39.000 -0.016 0.000 1.331 231 F HN 0.827 nan 8.300 nan 0.000 0.472 232 F N 4.172 123.938 119.950 -0.306 0.000 2.999 232 F HA -0.142 4.385 4.527 -0.000 0.000 0.291 232 F C 1.400 177.089 175.800 -0.185 0.000 0.824 232 F CA 0.989 58.770 58.000 -0.364 0.000 1.255 232 F CB -0.904 37.712 39.000 -0.639 0.000 1.333 232 F HN 0.970 nan 8.300 nan 0.000 0.502 233 G N -0.677 108.146 108.800 0.039 0.000 2.225 233 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.254 233 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.254 233 G C 0.210 175.133 174.900 0.039 0.000 0.988 233 G CA 0.321 45.444 45.100 0.039 0.000 0.625 233 G HN 0.542 nan 8.290 nan 0.000 0.527 234 T N 1.745 116.330 114.554 0.051 0.000 2.817 234 T HA 0.568 4.918 4.350 -0.000 0.000 0.293 234 T C 0.886 175.629 174.700 0.072 0.000 0.964 234 T CA -0.275 61.854 62.100 0.050 0.000 1.085 234 T CB 1.348 70.243 68.868 0.046 0.000 0.921 234 T HN 0.320 nan 8.240 nan 0.000 0.502 235 I N 3.877 124.474 120.570 0.046 0.000 2.533 235 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 235 I C 0.429 176.562 176.117 0.027 0.000 1.109 235 I CA -0.067 61.255 61.300 0.038 0.000 1.412 235 I CB 0.324 38.337 38.000 0.022 0.000 1.396 235 I HN 0.431 nan 8.210 nan 0.000 0.543 236 I N 5.836 126.417 120.570 0.018 0.000 2.440 236 I HA 0.472 4.642 4.170 -0.000 0.000 0.294 236 I C 0.423 176.522 176.117 -0.030 0.000 0.995 236 I CA -0.249 61.032 61.300 -0.030 0.000 1.306 236 I CB 1.425 39.384 38.000 -0.068 0.000 1.407 236 I HN 0.614 nan 8.210 nan 0.000 0.501 237 A N 3.613 126.405 122.820 -0.048 0.000 2.356 237 A HA 0.754 5.074 4.320 -0.000 0.000 0.323 237 A C 0.472 178.031 177.584 -0.041 0.000 1.119 237 A CA -0.021 51.997 52.037 -0.032 0.000 0.790 237 A CB 1.391 20.377 19.000 -0.024 0.000 1.273 237 A HN 1.121 nan 8.150 nan 0.000 0.452 238 G N -0.629 108.157 108.800 -0.022 0.000 2.165 238 G HA2 0.120 4.080 3.960 -0.000 0.000 0.226 238 G HA3 0.120 4.080 3.960 -0.000 0.000 0.226 238 G C -0.286 174.608 174.900 -0.010 0.000 1.035 238 G CA 0.131 45.221 45.100 -0.016 0.000 0.744 238 G HN 1.706 nan 8.290 nan 0.000 0.501 239 V N 0.003 119.912 119.914 -0.007 0.000 2.924 239 V HA 0.775 4.895 4.120 -0.000 0.000 0.300 239 V C 0.132 176.228 176.094 0.003 0.000 1.227 239 V CA -0.227 62.074 62.300 0.002 0.000 0.954 239 V CB 2.228 34.053 31.823 0.003 0.000 1.055 239 V HN 0.995 nan 8.190 nan 0.000 0.429 240 T N 0.627 115.178 114.554 -0.005 0.000 2.855 240 T HA 0.784 5.134 4.350 -0.000 0.000 0.281 240 T C 0.521 175.202 174.700 -0.031 0.000 1.007 240 T CA 0.059 62.149 62.100 -0.016 0.000 1.009 240 T CB 2.213 71.062 68.868 -0.031 0.000 0.983 240 T HN 0.982 nan 8.240 nan 0.000 0.455 241 A N 1.589 124.410 122.820 0.002 0.000 2.229 241 A HA 0.374 4.694 4.320 -0.000 0.000 0.211 241 A C 1.396 178.992 177.584 0.020 0.000 1.193 241 A CA 0.242 52.304 52.037 0.040 0.000 0.879 241 A CB -0.491 18.567 19.000 0.097 0.000 0.911 241 A HN 0.949 nan 8.150 nan 0.000 0.492 242 T N 0.774 115.327 114.554 -0.002 0.000 2.934 242 T HA 0.401 4.751 4.350 -0.000 0.000 0.321 242 T C -0.095 174.594 174.700 -0.019 0.000 1.080 242 T CA 0.801 62.901 62.100 -0.001 0.000 1.132 242 T CB 0.102 68.966 68.868 -0.006 0.000 1.039 242 T HN 1.390 nan 8.240 nan 0.000 0.543 243 A N 3.430 126.255 122.820 0.010 0.000 2.599 243 A HA 0.612 4.932 4.320 -0.000 0.000 0.294 243 A C -0.287 177.314 177.584 0.027 0.000 1.055 243 A CA -0.847 51.199 52.037 0.015 0.000 0.683 243 A CB 1.535 20.568 19.000 0.054 0.000 1.278 243 A HN 0.809 nan 8.150 nan 0.000 0.412 244 T N 1.169 115.738 114.554 0.025 0.000 2.888 244 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 244 T C 1.555 176.275 174.700 0.033 0.000 1.017 244 T CA 0.322 62.437 62.100 0.025 0.000 1.022 244 T CB 1.638 70.516 68.868 0.017 0.000 1.013 244 T HN 1.551 nan 8.240 nan 0.000 0.465 245 A N 1.893 124.731 122.820 0.030 0.000 2.032 245 A HA -0.032 4.288 4.320 -0.000 0.000 0.221 245 A C 2.239 179.841 177.584 0.030 0.000 1.165 245 A CA 1.990 54.045 52.037 0.031 0.000 0.645 245 A CB -0.765 18.249 19.000 0.024 0.000 0.807 245 A HN 0.899 nan 8.150 nan 0.000 0.453 246 A N -0.500 122.335 122.820 0.025 0.000 2.169 246 A HA 0.195 4.515 4.320 -0.000 0.000 0.212 246 A C 0.308 177.907 177.584 0.026 0.000 1.153 246 A CA 0.236 52.287 52.037 0.023 0.000 0.756 246 A CB -0.332 18.678 19.000 0.017 0.000 0.813 246 A HN 0.436 nan 8.150 nan 0.000 0.471 247 D N 0.893 121.312 120.400 0.032 0.000 2.548 247 D HA 0.332 4.972 4.640 -0.000 0.000 0.231 247 D C 0.477 176.802 176.300 0.043 0.000 1.142 247 D CA 1.103 55.124 54.000 0.036 0.000 0.866 247 D CB 0.565 41.392 40.800 0.046 0.000 1.190 247 D HN 0.396 nan 8.370 nan 0.000 0.469 248 A N 1.797 124.641 122.820 0.039 0.000 2.440 248 A HA 0.522 4.842 4.320 -0.000 0.000 0.251 248 A C 0.430 178.050 177.584 0.059 0.000 1.089 248 A CA -0.349 51.713 52.037 0.041 0.000 0.779 248 A CB 0.207 19.227 19.000 0.033 0.000 1.022 248 A HN 0.653 nan 8.150 nan 0.000 0.492 249 A N 2.908 125.762 122.820 0.056 0.000 2.565 249 A HA 0.459 4.779 4.320 -0.000 0.000 0.237 249 A C 0.688 178.321 177.584 0.081 0.000 1.053 249 A CA 0.650 52.728 52.037 0.068 0.000 0.755 249 A CB -0.358 18.669 19.000 0.045 0.000 0.980 249 A HN 0.874 nan 8.150 nan 0.000 0.506 250 T N 2.010 116.632 114.554 0.112 0.000 2.824 250 T HA 0.682 5.032 4.350 -0.000 0.000 0.280 250 T C 0.400 175.161 174.700 0.101 0.000 0.995 250 T CA 0.195 62.375 62.100 0.133 0.000 1.009 250 T CB 1.390 70.400 68.868 0.236 0.000 0.955 250 T HN 1.098 nan 8.240 nan 0.000 0.452 251 T N -0.133 114.485 114.554 0.107 0.000 2.696 251 T HA 0.878 5.228 4.350 -0.000 0.000 0.291 251 T C -1.383 173.432 174.700 0.192 0.000 1.095 251 T CA -0.986 61.160 62.100 0.077 0.000 1.026 251 T CB 1.565 70.419 68.868 -0.023 0.000 1.390 251 T HN 0.656 nan 8.240 nan 0.000 0.513 252 F N -1.227 118.708 119.950 -0.025 0.000 2.693 252 F HA 0.786 5.313 4.527 -0.000 0.000 0.309 252 F C -1.023 174.731 175.800 -0.076 0.000 1.129 252 F CA -0.704 57.287 58.000 -0.015 0.000 0.948 252 F CB 1.306 40.315 39.000 0.015 0.000 1.315 252 F HN 0.981 nan 8.300 nan 0.000 0.447 253 T N 0.135 114.747 114.554 0.098 0.000 2.900 253 T HA 0.817 5.167 4.350 -0.000 0.000 0.295 253 T C -1.472 173.262 174.700 0.056 0.000 1.044 253 T CA -0.814 61.246 62.100 -0.066 0.000 0.995 253 T CB 1.591 70.431 68.868 -0.047 0.000 1.072 253 T HN 0.765 nan 8.240 nan 0.000 0.473 254 V N 3.458 123.359 119.914 -0.023 0.000 2.667 254 V HA 0.384 4.504 4.120 -0.000 0.000 0.308 254 V C -1.602 174.499 176.094 0.011 0.000 1.048 254 V CA -2.197 60.122 62.300 0.032 0.000 0.928 254 V CB 1.857 33.708 31.823 0.048 0.000 1.004 254 V HN 0.736 nan 8.190 nan 0.000 0.444 255 P HA -0.111 nan 4.420 nan 0.000 0.222 255 P C 1.053 178.357 177.300 0.006 0.000 1.142 255 P CA 1.359 64.463 63.100 0.006 0.000 0.788 255 P CB 0.085 31.787 31.700 0.003 0.000 0.767 256 T N -6.447 108.117 114.554 0.017 0.000 3.092 256 T HA 0.151 4.501 4.350 -0.000 0.000 0.258 256 T C 0.158 174.865 174.700 0.013 0.000 1.031 256 T CA -0.232 61.879 62.100 0.018 0.000 0.925 256 T CB 0.035 68.922 68.868 0.031 0.000 1.036 256 T HN -0.061 nan 8.240 nan 0.000 0.544 257 D N 0.601 120.999 120.400 -0.003 0.000 2.375 257 D HA 0.470 5.110 4.640 -0.000 0.000 0.241 257 D C 0.891 177.165 176.300 -0.044 0.000 1.361 257 D CA -0.348 53.640 54.000 -0.020 0.000 0.995 257 D CB 1.755 42.543 40.800 -0.019 0.000 1.312 257 D HN 0.073 nan 8.370 nan 0.000 0.576 258 A N 3.849 126.649 122.820 -0.034 0.000 2.131 258 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 258 A C 0.971 178.523 177.584 -0.053 0.000 1.158 258 A CA 0.792 52.807 52.037 -0.037 0.000 0.665 258 A CB -0.163 18.822 19.000 -0.025 0.000 0.795 258 A HN 0.561 nan 8.150 nan 0.000 0.460 259 N N 0.959 119.619 118.700 -0.066 0.000 2.495 259 N HA 0.131 4.871 4.740 -0.000 0.000 0.280 259 N C -0.923 174.506 175.510 -0.135 0.000 1.168 259 N CA -0.464 52.538 53.050 -0.081 0.000 0.978 259 N CB 0.430 38.877 38.487 -0.068 0.000 1.191 259 N HN 0.307 nan 8.380 nan 0.000 0.497 260 N N 1.096 119.713 118.700 -0.137 0.000 2.530 260 N HA 0.185 4.925 4.740 -0.000 0.000 0.273 260 N C -0.437 174.900 175.510 -0.288 0.000 1.173 260 N CA 0.044 52.971 53.050 -0.204 0.000 0.967 260 N CB 1.291 39.698 38.487 -0.133 0.000 1.109 260 N HN 0.291 nan 8.380 nan 0.000 0.453 261 L N 3.779 124.686 121.223 -0.526 0.000 2.277 261 L HA 0.328 4.668 4.340 -0.000 0.000 0.284 261 L C -1.930 174.678 176.870 -0.437 0.000 1.028 261 L CA -1.830 52.628 54.840 -0.637 0.000 0.835 261 L CB 1.344 42.604 42.059 -1.332 0.000 1.215 261 L HN 0.241 nan 8.230 nan 0.000 0.425 262 P HA 0.020 nan 4.420 nan 0.000 0.267 262 P C -0.658 176.657 177.300 0.025 0.000 1.200 262 P CA -0.004 63.067 63.100 -0.050 0.000 0.772 262 P CB 1.639 33.326 31.700 -0.021 0.000 0.855 263 V N 3.691 123.627 119.914 0.036 0.000 2.680 263 V HA 0.230 4.350 4.120 -0.000 0.000 0.309 263 V C 0.656 176.748 176.094 -0.003 0.000 1.052 263 V CA -0.238 62.060 62.300 -0.004 0.000 0.908 263 V CB 1.115 32.855 31.823 -0.139 0.000 1.001 263 V HN 0.689 nan 8.190 nan 0.000 0.431 264 Q N 1.587 121.403 119.800 0.026 0.000 2.506 264 Q HA -0.160 4.180 4.340 -0.000 0.000 0.268 264 Q C 0.135 176.197 176.000 0.103 0.000 1.002 264 Q CA 1.147 57.008 55.803 0.096 0.000 1.052 264 Q CB -1.434 27.381 28.738 0.129 0.000 1.383 264 Q HN 1.148 nan 8.270 nan 0.000 0.537 265 T N -3.858 110.763 114.554 0.113 0.000 2.888 265 T HA 0.492 4.842 4.350 -0.000 0.000 0.284 265 T C 0.425 175.217 174.700 0.154 0.000 1.017 265 T CA -0.542 61.621 62.100 0.104 0.000 1.022 265 T CB 1.477 70.391 68.868 0.075 0.000 1.013 265 T HN -0.004 nan 8.240 nan 0.000 0.465 266 D N 1.447 121.929 120.400 0.136 0.000 2.371 266 D HA 0.083 4.723 4.640 -0.000 0.000 0.234 266 D C 0.348 176.751 176.300 0.173 0.000 1.049 266 D CA 0.355 54.479 54.000 0.207 0.000 0.907 266 D CB 0.005 40.885 40.800 0.134 0.000 0.891 266 D HN 0.481 nan 8.370 nan 0.000 0.531 267 S N 0.133 115.882 115.700 0.082 0.000 2.601 267 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 267 S C 0.542 175.065 174.600 -0.128 0.000 1.305 267 S CA -0.596 57.599 58.200 -0.009 0.000 1.022 267 S CB 1.498 64.698 63.200 0.000 0.000 0.940 267 S HN 0.065 nan 8.310 nan 0.000 0.525 268 R N 1.873 122.254 120.500 -0.199 0.000 2.207 268 R HA 0.367 4.707 4.340 -0.000 0.000 0.334 268 R C -0.797 175.423 176.300 -0.134 0.000 1.013 268 R CA -0.668 55.249 56.100 -0.305 0.000 0.858 268 R CB 0.355 30.453 30.300 -0.336 0.000 1.094 268 R HN 0.336 nan 8.270 nan 0.000 0.457 269 L N 1.331 122.515 121.223 -0.065 0.000 2.421 269 L HA 0.438 4.778 4.340 -0.000 0.000 0.263 269 L C 0.406 177.255 176.870 -0.034 0.000 1.122 269 L CA -0.104 54.777 54.840 0.069 0.000 0.804 269 L CB 1.353 43.625 42.059 0.354 0.000 1.150 269 L HN 0.585 nan 8.230 nan 0.000 0.457 270 S N 1.989 117.720 115.700 0.051 0.000 2.677 270 S HA 0.820 5.290 4.470 -0.000 0.000 0.283 270 S C -0.971 173.677 174.600 0.081 0.000 1.159 270 S CA -0.487 57.653 58.200 -0.100 0.000 1.001 270 S CB 1.571 64.736 63.200 -0.058 0.000 1.032 270 S HN 0.481 nan 8.310 nan 0.000 0.487 271 F N -0.779 119.146 119.950 -0.041 0.000 2.769 271 F HA 0.715 5.242 4.527 -0.000 0.000 0.313 271 F C -0.501 175.293 175.800 -0.011 0.000 1.146 271 F CA -1.131 56.861 58.000 -0.013 0.000 0.934 271 F CB 0.317 39.332 39.000 0.025 0.000 1.283 271 F HN 0.440 nan 8.300 nan 0.000 0.443 272 S N 1.008 116.853 115.700 0.241 0.000 2.690 272 S HA 0.746 5.216 4.470 -0.000 0.000 0.291 272 S C -0.223 174.515 174.600 0.231 0.000 1.138 272 S CA -0.847 57.435 58.200 0.138 0.000 1.013 272 S CB 1.840 65.079 63.200 0.063 0.000 1.053 272 S HN 0.861 nan 8.310 nan 0.000 0.539 273 L N 0.487 121.799 121.223 0.148 0.000 2.664 273 L HA 0.341 4.681 4.340 -0.000 0.000 0.233 273 L C 1.409 178.300 176.870 0.034 0.000 1.113 273 L CA -0.152 54.761 54.840 0.121 0.000 0.896 273 L CB -0.461 41.669 42.059 0.118 0.000 1.163 273 L HN 0.901 nan 8.230 nan 0.000 0.497 274 G N -0.664 108.155 108.800 0.031 0.000 2.483 274 G HA2 0.413 4.373 3.960 -0.000 0.000 0.248 274 G HA3 0.413 4.373 3.960 -0.000 0.000 0.248 274 G C 0.842 175.743 174.900 0.002 0.000 1.248 274 G CA 0.678 45.779 45.100 0.001 0.000 0.838 274 G HN 0.305 nan 8.290 nan 0.000 0.566 275 G N 0.011 108.802 108.800 -0.015 0.000 2.905 275 G HA2 0.324 4.284 3.960 -0.000 0.000 0.199 275 G HA3 0.324 4.284 3.960 -0.000 0.000 0.199 275 G C 0.705 175.590 174.900 -0.025 0.000 1.370 275 G CA 0.845 45.938 45.100 -0.012 0.000 0.966 275 G HN 2.165 nan 8.290 nan 0.000 0.522 276 G N 0.126 108.905 108.800 -0.034 0.000 2.947 276 G HA2 0.447 4.407 3.960 -0.000 0.000 0.115 276 G HA3 0.447 4.407 3.960 -0.000 0.000 0.115 276 G C -1.391 173.468 174.900 -0.069 0.000 1.214 276 G CA 0.474 45.545 45.100 -0.048 0.000 1.324 276 G HN 0.809 nan 8.290 nan 0.000 0.645 277 N N 0.147 118.818 118.700 -0.048 0.000 2.362 277 N HA 0.556 5.296 4.740 -0.000 0.000 0.299 277 N C -0.742 174.762 175.510 -0.010 0.000 1.170 277 N CA -0.480 52.539 53.050 -0.052 0.000 0.825 277 N CB 2.350 40.816 38.487 -0.035 0.000 1.299 277 N HN 0.357 nan 8.380 nan 0.000 0.502 278 I N 1.237 121.797 120.570 -0.016 0.000 2.395 278 I HA 0.102 4.272 4.170 -0.000 0.000 0.289 278 I C 0.259 176.472 176.117 0.160 0.000 1.023 278 I CA -0.248 61.062 61.300 0.017 0.000 1.350 278 I CB 0.424 38.267 38.000 -0.262 0.000 1.409 278 I HN 0.169 nan 8.210 nan 0.000 0.507 279 N N 6.562 125.383 118.700 0.201 0.000 2.817 279 N HA 0.224 4.964 4.740 -0.000 0.000 0.234 279 N C -0.931 174.758 175.510 0.297 0.000 1.066 279 N CA -0.548 52.627 53.050 0.208 0.000 0.926 279 N CB 1.306 39.862 38.487 0.117 0.000 1.176 279 N HN 0.357 nan 8.380 nan 0.000 0.506 280 L N 2.151 123.620 121.223 0.411 0.000 2.319 280 L HA 0.217 4.557 4.340 -0.000 0.000 0.280 280 L C 0.325 177.389 176.870 0.323 0.000 1.099 280 L CA 0.297 55.399 54.840 0.436 0.000 0.828 280 L CB 0.489 42.914 42.059 0.611 0.000 1.150 280 L HN 0.198 nan 8.230 nan 0.000 0.442 281 E N 5.193 125.536 120.200 0.238 0.000 2.042 281 E HA 0.162 4.512 4.350 -0.000 0.000 0.260 281 E C -1.042 175.646 176.600 0.148 0.000 0.975 281 E CA -0.706 55.790 56.400 0.160 0.000 0.799 281 E CB 1.115 30.876 29.700 0.102 0.000 1.131 281 E HN 0.486 nan 8.360 nan 0.000 0.423 282 L N 2.946 124.258 121.223 0.148 0.000 2.360 282 L HA 0.255 4.595 4.340 -0.000 0.000 0.276 282 L C 1.227 178.136 176.870 0.065 0.000 1.121 282 L CA 0.561 55.438 54.840 0.061 0.000 0.845 282 L CB 1.084 43.089 42.059 -0.090 0.000 1.143 282 L HN 0.513 nan 8.230 nan 0.000 0.452 283 G N 4.657 113.497 108.800 0.067 0.000 2.605 283 G HA2 0.022 3.982 3.960 -0.000 0.000 0.215 283 G HA3 0.022 3.982 3.960 -0.000 0.000 0.215 283 G C 0.198 175.114 174.900 0.027 0.000 1.279 283 G CA 0.172 45.304 45.100 0.053 0.000 0.831 283 G HN 0.444 nan 8.290 nan 0.000 0.560 284 V N 1.644 121.563 119.914 0.009 0.000 2.649 284 V HA 0.555 4.675 4.120 -0.000 0.000 0.292 284 V C 0.804 176.874 176.094 -0.040 0.000 1.055 284 V CA -0.625 61.668 62.300 -0.012 0.000 1.023 284 V CB 1.141 32.952 31.823 -0.019 0.000 0.992 284 V HN 0.590 nan 8.190 nan 0.000 0.480 285 A N 5.671 128.478 122.820 -0.022 0.000 2.440 285 A HA 0.601 4.921 4.320 -0.000 0.000 0.251 285 A C 0.098 177.654 177.584 -0.047 0.000 1.089 285 A CA -0.271 51.752 52.037 -0.023 0.000 0.779 285 A CB 0.108 19.113 19.000 0.009 0.000 1.022 285 A HN 0.923 nan 8.150 nan 0.000 0.492 286 K N 0.266 120.630 120.400 -0.061 0.000 2.532 286 K HA 0.545 4.865 4.320 -0.000 0.000 0.265 286 K C -0.769 175.828 176.600 -0.006 0.000 0.948 286 K CA -0.571 55.681 56.287 -0.057 0.000 0.842 286 K CB 1.246 33.667 32.500 -0.132 0.000 1.392 286 K HN 0.457 nan 8.250 nan 0.000 0.436 287 T N -0.662 113.890 114.554 -0.002 0.000 3.842 287 T HA 0.438 4.788 4.350 -0.000 0.000 0.267 287 T C 0.620 175.338 174.700 0.030 0.000 1.173 287 T CA 0.025 62.136 62.100 0.018 0.000 1.142 287 T CB -0.903 67.970 68.868 0.008 0.000 1.191 287 T HN 1.094 nan 8.240 nan 0.000 0.895 288 G N 2.636 111.479 108.800 0.072 0.000 3.307 288 G HA2 0.158 4.118 3.960 -0.000 0.000 0.686 288 G HA3 0.158 4.118 3.960 -0.000 0.000 0.686 288 G C -0.735 174.224 174.900 0.099 0.000 0.983 288 G CA -0.643 44.496 45.100 0.065 0.000 0.804 288 G HN 1.288 nan 8.290 nan 0.000 0.531 289 F N 0.281 120.208 119.950 -0.039 0.000 2.576 289 F HA 0.807 5.334 4.527 -0.000 0.000 0.313 289 F C -0.202 175.621 175.800 0.037 0.000 1.078 289 F CA -1.721 56.243 58.000 -0.061 0.000 0.921 289 F CB 1.735 40.651 39.000 -0.140 0.000 1.232 289 F HN 0.745 nan 8.300 nan 0.000 0.459 290 C N 4.816 124.185 119.300 0.115 0.000 2.407 290 C HA 0.744 5.204 4.460 -0.000 0.000 0.328 290 C C -0.627 174.328 174.990 -0.058 0.000 1.137 290 C CA -0.487 58.511 59.018 -0.032 0.000 1.390 290 C CB 0.141 27.908 27.740 0.046 0.000 1.989 290 C HN 0.808 nan 8.230 nan 0.000 0.432 291 V N 5.713 125.350 119.914 -0.462 0.000 2.530 291 V HA 0.611 4.731 4.120 -0.000 0.000 0.282 291 V C 0.755 176.371 176.094 -0.795 0.000 1.048 291 V CA 0.165 61.994 62.300 -0.786 0.000 0.997 291 V CB 1.166 32.042 31.823 -1.579 0.000 0.987 291 V HN 1.026 nan 8.190 nan 0.000 0.477 292 A N 6.494 128.925 122.820 -0.650 0.000 2.343 292 A HA 0.842 5.162 4.320 -0.000 0.000 0.316 292 A C -0.708 176.658 177.584 -0.363 0.000 1.104 292 A CA -0.556 51.149 52.037 -0.554 0.000 0.768 292 A CB 0.854 19.374 19.000 -0.801 0.000 1.213 292 A HN 0.767 nan 8.150 nan 0.000 0.456 293 I N 2.229 122.745 120.570 -0.089 0.000 2.405 293 I HA 0.280 4.450 4.170 -0.000 0.000 0.280 293 I C -0.005 176.274 176.117 0.270 0.000 1.027 293 I CA 0.002 61.386 61.300 0.140 0.000 1.161 293 I CB 1.342 39.502 38.000 0.266 0.000 1.300 293 I HN 0.783 nan 8.210 nan 0.000 0.463 294 E N 5.782 126.153 120.200 0.285 0.000 2.101 294 E HA 0.626 4.976 4.350 -0.000 0.000 0.260 294 E C -0.292 176.501 176.600 0.322 0.000 0.897 294 E CA -0.311 56.302 56.400 0.356 0.000 0.744 294 E CB 1.196 31.123 29.700 0.380 0.000 1.140 294 E HN 0.821 nan 8.360 nan 0.000 0.419 295 G N 3.293 112.283 108.800 0.317 0.000 2.896 295 G HA2 0.175 4.135 3.960 -0.000 0.000 0.247 295 G HA3 0.175 4.135 3.960 -0.000 0.000 0.247 295 G C -1.209 173.781 174.900 0.151 0.000 1.187 295 G CA -0.597 44.561 45.100 0.097 0.000 0.837 295 G HN 0.391 nan 8.290 nan 0.000 0.559 296 E N -0.268 119.908 120.200 -0.040 0.000 2.133 296 E HA 0.616 4.966 4.350 -0.000 0.000 0.274 296 E C -1.382 175.189 176.600 -0.048 0.000 0.930 296 E CA -0.462 55.980 56.400 0.069 0.000 0.770 296 E CB 0.828 30.539 29.700 0.017 0.000 1.104 296 E HN 0.148 nan 8.360 nan 0.000 0.403 297 F N 1.982 121.931 119.950 -0.002 0.000 2.399 297 F HA 0.502 5.029 4.527 -0.000 0.000 0.334 297 F C 0.608 176.413 175.800 0.008 0.000 1.097 297 F CA -0.397 57.600 58.000 -0.004 0.000 1.076 297 F CB 1.867 40.879 39.000 0.020 0.000 1.162 297 F HN 0.230 nan 8.300 nan 0.000 0.495 298 T N 3.203 117.832 114.554 0.125 0.000 2.887 298 T HA 0.624 4.974 4.350 -0.000 0.000 0.292 298 T C -0.596 174.156 174.700 0.087 0.000 1.087 298 T CA -0.669 61.486 62.100 0.091 0.000 1.009 298 T CB 1.806 70.697 68.868 0.038 0.000 1.203 298 T HN 0.259 nan 8.240 nan 0.000 0.518 299 I N 2.062 122.677 120.570 0.075 0.000 2.339 299 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 299 I C 0.189 176.313 176.117 0.012 0.000 0.994 299 I CA -0.846 60.491 61.300 0.061 0.000 1.191 299 I CB 1.035 39.085 38.000 0.082 0.000 1.343 299 I HN 0.382 nan 8.210 nan 0.000 0.458 300 L N 5.025 126.240 121.223 -0.012 0.000 2.554 300 L HA -0.011 4.329 4.340 -0.000 0.000 0.293 300 L C 1.083 177.849 176.870 -0.173 0.000 1.252 300 L CA -0.134 54.658 54.840 -0.079 0.000 0.862 300 L CB 0.057 42.084 42.059 -0.053 0.000 1.113 300 L HN 0.697 nan 8.230 nan 0.000 0.510 301 A N 3.311 125.912 122.820 -0.365 0.000 2.540 301 A HA 0.032 4.352 4.320 -0.000 0.000 0.239 301 A C 0.921 178.310 177.584 -0.325 0.000 1.061 301 A CA -0.082 51.536 52.037 -0.699 0.000 0.758 301 A CB -0.233 18.090 19.000 -1.128 0.000 0.991 301 A HN 0.982 nan 8.150 nan 0.000 0.502 302 N N 0.881 119.452 118.700 -0.215 0.000 2.708 302 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 302 N C 0.312 175.809 175.510 -0.022 0.000 1.097 302 N CA 1.277 54.294 53.050 -0.055 0.000 0.710 302 N CB -0.522 37.944 38.487 -0.035 0.000 1.032 302 N HN 0.782 nan 8.380 nan 0.000 0.551 303 R N -0.642 119.852 120.500 -0.010 0.000 2.541 303 R HA 0.134 4.474 4.340 -0.000 0.000 0.332 303 R C 1.277 177.628 176.300 0.085 0.000 0.951 303 R CA 0.605 56.721 56.100 0.027 0.000 1.136 303 R CB 0.324 30.628 30.300 0.007 0.000 1.449 303 R HN 0.336 nan 8.270 nan 0.000 0.531 304 S N 0.392 116.162 115.700 0.115 0.000 2.555 304 S HA -0.089 4.381 4.470 -0.000 0.000 0.230 304 S C 1.521 176.277 174.600 0.259 0.000 0.978 304 S CA 0.414 58.750 58.200 0.227 0.000 0.934 304 S CB 0.102 63.469 63.200 0.278 0.000 0.766 304 S HN 0.106 nan 8.310 nan 0.000 0.533 305 Q N 1.901 121.795 119.800 0.157 0.000 2.181 305 Q HA -0.006 4.334 4.340 -0.000 0.000 0.205 305 Q C 2.357 178.436 176.000 0.132 0.000 0.980 305 Q CA 1.585 57.463 55.803 0.126 0.000 0.862 305 Q CB -1.150 27.633 28.738 0.075 0.000 0.905 305 Q HN 0.715 nan 8.270 nan 0.000 0.429 306 A N 0.829 123.734 122.820 0.142 0.000 1.824 306 A HA -0.241 4.079 4.320 -0.000 0.000 0.215 306 A C 2.033 179.718 177.584 0.169 0.000 1.209 306 A CA 1.514 53.634 52.037 0.138 0.000 0.614 306 A CB -1.358 17.728 19.000 0.143 0.000 0.852 306 A HN 0.338 nan 8.150 nan 0.000 0.447 307 Y N -0.392 119.941 120.300 0.054 0.000 2.002 307 Y HA -0.353 4.197 4.550 -0.000 0.000 0.268 307 Y C 2.260 178.162 175.900 0.004 0.000 1.177 307 Y CA 2.317 60.414 58.100 -0.006 0.000 1.111 307 Y CB -1.028 37.349 38.460 -0.137 0.000 0.952 307 Y HN 0.420 nan 8.280 nan 0.000 0.491 308 Y N -1.128 119.140 120.300 -0.053 0.000 2.571 308 Y HA -0.078 4.472 4.550 -0.000 0.000 0.294 308 Y C 2.203 177.899 175.900 -0.340 0.000 1.141 308 Y CA 1.337 59.166 58.100 -0.451 0.000 1.308 308 Y CB -0.172 38.050 38.460 -0.397 0.000 1.002 308 Y HN 0.102 nan 8.280 nan 0.000 0.551 309 T N -0.720 113.833 114.554 -0.001 0.000 3.001 309 T HA 0.193 4.543 4.350 -0.000 0.000 0.251 309 T C 0.549 175.268 174.700 0.032 0.000 1.040 309 T CA -0.029 62.079 62.100 0.013 0.000 0.985 309 T CB 0.106 69.000 68.868 0.043 0.000 1.011 309 T HN 0.219 nan 8.240 nan 0.000 0.509 310 L N 1.401 122.649 121.223 0.043 0.000 3.783 310 L HA -0.164 4.176 4.340 -0.000 0.000 0.409 310 L C 0.525 177.425 176.870 0.050 0.000 1.223 310 L CA -0.183 54.691 54.840 0.056 0.000 0.888 310 L CB -1.744 40.351 42.059 0.059 0.000 2.018 310 L HN 0.255 nan 8.230 nan 0.000 0.780 311 N N -0.307 118.428 118.700 0.058 0.000 2.299 311 N HA 0.050 4.790 4.740 -0.000 0.000 0.187 311 N C 1.565 177.108 175.510 0.055 0.000 1.099 311 N CA 1.002 54.083 53.050 0.052 0.000 0.867 311 N CB 0.412 38.930 38.487 0.052 0.000 0.974 311 N HN 0.646 nan 8.380 nan 0.000 0.477 312 S N -0.146 115.598 115.700 0.072 0.000 2.603 312 S HA 0.191 4.661 4.470 -0.000 0.000 0.220 312 S C 0.783 175.413 174.600 0.049 0.000 0.967 312 S CA -0.119 58.132 58.200 0.084 0.000 0.920 312 S CB -0.123 63.161 63.200 0.140 0.000 0.773 312 S HN 0.116 nan 8.310 nan 0.000 0.529 313 I N 3.169 123.758 120.570 0.031 0.000 2.297 313 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 313 I C 1.255 177.379 176.117 0.011 0.000 1.033 313 I CA -0.345 60.960 61.300 0.010 0.000 1.253 313 I CB 1.433 39.438 38.000 0.009 0.000 1.396 313 I HN 0.284 nan 8.210 nan 0.000 0.476 314 T N 1.276 115.833 114.554 0.006 0.000 3.019 314 T HA 0.205 4.555 4.350 -0.000 0.000 0.247 314 T C 0.735 175.439 174.700 0.006 0.000 0.992 314 T CA -0.092 62.013 62.100 0.008 0.000 1.036 314 T CB 0.301 69.174 68.868 0.010 0.000 1.063 314 T HN 0.447 nan 8.240 nan 0.000 0.476 315 Q N 1.083 120.886 119.800 0.004 0.000 2.215 315 Q HA 0.612 4.952 4.340 -0.000 0.000 0.256 315 Q C -1.163 174.840 176.000 0.004 0.000 0.972 315 Q CA -0.481 55.326 55.803 0.007 0.000 0.889 315 Q CB 1.950 30.696 28.738 0.014 0.000 1.281 315 Q HN 0.167 nan 8.270 nan 0.000 0.456 316 T N 3.036 117.593 114.554 0.004 0.000 2.812 316 T HA 0.449 4.799 4.350 -0.000 0.000 0.282 316 T C -2.146 172.556 174.700 0.002 0.000 0.990 316 T CA -1.045 61.055 62.100 -0.000 0.000 0.960 316 T CB 1.249 70.114 68.868 -0.005 0.000 0.948 316 T HN 0.476 nan 8.240 nan 0.000 0.438 317 P HA 0.500 nan 4.420 nan 0.000 0.278 317 P C -0.664 176.642 177.300 0.010 0.000 1.258 317 P CA -0.345 62.755 63.100 -0.000 0.000 0.811 317 P CB 1.252 32.950 31.700 -0.003 0.000 1.063 318 T N -0.814 113.744 114.554 0.006 0.000 2.916 318 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 318 T C -0.704 174.010 174.700 0.024 0.000 1.064 318 T CA -0.495 61.612 62.100 0.011 0.000 1.011 318 T CB 0.729 69.590 68.868 -0.012 0.000 1.152 318 T HN 0.333 nan 8.240 nan 0.000 0.510 319 S N 2.390 118.124 115.700 0.057 0.000 2.433 319 S HA 0.671 5.141 4.470 -0.000 0.000 0.310 319 S C -0.254 174.380 174.600 0.057 0.000 1.097 319 S CA -0.723 57.526 58.200 0.082 0.000 1.103 319 S CB -0.034 63.276 63.200 0.183 0.000 0.992 319 S HN 0.698 nan 8.310 nan 0.000 0.469 320 I N 0.209 120.787 120.570 0.012 0.000 3.042 320 I HA 0.758 4.928 4.170 -0.000 0.000 0.310 320 I C -0.722 175.369 176.117 -0.042 0.000 1.117 320 I CA -1.327 59.954 61.300 -0.031 0.000 1.003 320 I CB 2.110 40.066 38.000 -0.072 0.000 1.228 320 I HN 0.530 nan 8.210 nan 0.000 0.443 321 D N 0.711 121.041 120.400 -0.117 0.000 2.511 321 D HA 0.330 4.970 4.640 -0.000 0.000 0.276 321 D C -0.358 175.867 176.300 -0.125 0.000 1.220 321 D CA -0.317 53.624 54.000 -0.099 0.000 1.077 321 D CB 0.696 41.438 40.800 -0.097 0.000 1.126 321 D HN 0.719 nan 8.370 nan 0.000 0.583 322 D N -2.053 118.350 120.400 0.004 0.000 2.501 322 D HA 0.086 4.726 4.640 -0.000 0.000 0.224 322 D C -0.112 176.417 176.300 0.381 0.000 1.202 322 D CA -0.828 53.331 54.000 0.264 0.000 0.829 322 D CB -0.886 40.138 40.800 0.374 0.000 1.023 322 D HN 0.484 nan 8.370 nan 0.000 0.499 323 F N 1.194 121.311 119.950 0.278 0.000 3.084 323 F HA -0.314 4.213 4.527 -0.000 0.000 0.286 323 F C 0.175 176.250 175.800 0.457 0.000 0.855 323 F CA 0.817 58.981 58.000 0.274 0.000 1.091 323 F CB -1.887 37.093 39.000 -0.035 0.000 1.177 323 F HN -0.003 nan 8.300 nan 0.000 0.542 324 D N -2.942 117.738 120.400 0.467 0.000 2.946 324 D HA -0.238 4.402 4.640 -0.000 0.000 0.202 324 D C 1.405 177.998 176.300 0.488 0.000 1.068 324 D CA 1.183 55.453 54.000 0.450 0.000 1.011 324 D CB -1.624 39.486 40.800 0.517 0.000 1.105 324 D HN 0.447 nan 8.370 nan 0.000 0.425 325 V N 0.168 120.327 119.914 0.408 0.000 2.311 325 V HA -0.393 3.727 4.120 -0.000 0.000 0.256 325 V C 2.708 178.947 176.094 0.241 0.000 1.077 325 V CA 3.094 65.490 62.300 0.160 0.000 1.067 325 V CB -1.618 30.031 31.823 -0.290 0.000 0.659 325 V HN 0.448 nan 8.190 nan 0.000 0.451 326 S N 0.916 116.737 115.700 0.201 0.000 2.389 326 S HA -0.363 4.107 4.470 -0.000 0.000 0.231 326 S C 1.591 176.278 174.600 0.145 0.000 1.052 326 S CA 2.056 60.350 58.200 0.156 0.000 1.053 326 S CB -1.058 62.232 63.200 0.150 0.000 0.886 326 S HN 0.689 nan 8.310 nan 0.000 0.456 327 D N 0.324 120.833 120.400 0.181 0.000 2.350 327 D HA 0.085 4.725 4.640 -0.000 0.000 0.216 327 D C 0.970 177.205 176.300 -0.108 0.000 0.968 327 D CA 0.702 54.715 54.000 0.021 0.000 0.894 327 D CB -0.220 40.553 40.800 -0.045 0.000 0.909 327 D HN 0.538 nan 8.370 nan 0.000 0.520 328 F N -0.303 119.675 119.950 0.048 0.000 2.653 328 F HA 0.209 4.736 4.527 -0.000 0.000 0.288 328 F C 2.140 177.962 175.800 0.037 0.000 1.121 328 F CA -0.073 57.951 58.000 0.040 0.000 1.384 328 F CB -0.160 38.863 39.000 0.040 0.000 1.115 328 F HN -0.159 nan 8.300 nan 0.000 0.599 329 L N -0.442 120.906 121.223 0.209 0.000 2.201 329 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 329 L C 2.202 179.126 176.870 0.089 0.000 1.105 329 L CA 1.034 55.971 54.840 0.162 0.000 0.775 329 L CB -1.232 40.861 42.059 0.056 0.000 0.913 329 L HN 0.148 nan 8.230 nan 0.000 0.440 330 T N -0.166 114.403 114.554 0.025 0.000 2.567 330 T HA -0.343 4.007 4.350 -0.000 0.000 0.261 330 T C 1.932 176.626 174.700 -0.009 0.000 1.123 330 T CA 2.778 64.863 62.100 -0.024 0.000 1.166 330 T CB -0.788 68.059 68.868 -0.034 0.000 0.860 330 T HN 0.638 nan 8.240 nan 0.000 0.436 331 T N 1.057 115.624 114.554 0.022 0.000 2.622 331 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 331 T C 1.705 176.443 174.700 0.065 0.000 1.047 331 T CA 1.660 63.775 62.100 0.024 0.000 1.159 331 T CB -1.090 67.784 68.868 0.011 0.000 0.863 331 T HN 0.260 nan 8.240 nan 0.000 0.422 332 F N 2.263 122.193 119.950 -0.033 0.000 2.115 332 F HA -0.056 4.471 4.527 -0.000 0.000 0.300 332 F C 1.969 177.757 175.800 -0.020 0.000 1.092 332 F CA 0.802 58.787 58.000 -0.025 0.000 1.245 332 F CB -0.953 38.052 39.000 0.009 0.000 0.995 332 F HN 0.083 nan 8.300 nan 0.000 0.481 333 L N -0.079 121.038 121.223 -0.177 0.000 1.970 333 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 333 L C 2.759 179.517 176.870 -0.187 0.000 1.071 333 L CA 2.169 56.837 54.840 -0.286 0.000 0.751 333 L CB -1.480 40.413 42.059 -0.276 0.000 0.889 333 L HN 0.093 nan 8.230 nan 0.000 0.432 334 S N -1.196 114.438 115.700 -0.110 0.000 2.392 334 S HA -0.259 4.211 4.470 -0.000 0.000 0.232 334 S C 1.923 176.487 174.600 -0.059 0.000 1.041 334 S CA 1.232 59.392 58.200 -0.067 0.000 1.026 334 S CB -0.194 62.980 63.200 -0.043 0.000 0.845 334 S HN 0.452 nan 8.310 nan 0.000 0.465 335 Q N 0.413 120.170 119.800 -0.071 0.000 2.049 335 Q HA 0.061 4.401 4.340 -0.000 0.000 0.198 335 Q C 2.357 178.328 176.000 -0.050 0.000 0.971 335 Q CA 0.820 56.606 55.803 -0.028 0.000 0.833 335 Q CB -0.567 28.204 28.738 0.055 0.000 0.896 335 Q HN 0.506 nan 8.270 nan 0.000 0.434 336 L N 0.503 121.609 121.223 -0.196 0.000 2.013 336 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 336 L C 2.598 179.482 176.870 0.024 0.000 1.073 336 L CA 1.385 56.133 54.840 -0.152 0.000 0.753 336 L CB -0.418 41.398 42.059 -0.405 0.000 0.890 336 L HN 0.181 nan 8.230 nan 0.000 0.432 337 R N -0.328 120.193 120.500 0.036 0.000 2.148 337 R HA -0.077 4.263 4.340 -0.000 0.000 0.227 337 R C 2.308 178.607 176.300 -0.002 0.000 1.103 337 R CA 1.148 57.267 56.100 0.031 0.000 0.983 337 R CB -0.452 29.831 30.300 -0.028 0.000 0.874 337 R HN 0.376 nan 8.270 nan 0.000 0.451 338 A N 1.162 123.975 122.820 -0.011 0.000 1.933 338 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 338 A C 2.083 179.658 177.584 -0.015 0.000 1.175 338 A CA 1.588 53.616 52.037 -0.016 0.000 0.628 338 A CB -0.450 18.540 19.000 -0.018 0.000 0.814 338 A HN 0.606 nan 8.150 nan 0.000 0.444 339 C N -2.722 116.573 119.300 -0.010 0.000 2.647 339 C HA 0.619 5.079 4.460 -0.000 0.000 0.296 339 C C 1.441 176.445 174.990 0.023 0.000 1.403 339 C CA -0.594 58.414 59.018 -0.017 0.000 1.781 339 C CB -1.059 26.635 27.740 -0.076 0.000 2.464 339 C HN 1.533 nan 8.230 nan 0.000 0.559 340 G N 1.796 110.619 108.800 0.039 0.000 2.379 340 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.297 340 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.297 340 G C 0.748 175.715 174.900 0.112 0.000 1.004 340 G CA 0.929 46.069 45.100 0.066 0.000 0.921 340 G HN 0.659 nan 8.290 nan 0.000 0.511 341 Q N -1.741 118.149 119.800 0.149 0.000 2.352 341 Q HA 0.120 4.460 4.340 -0.000 0.000 0.212 341 Q C 1.795 177.931 176.000 0.227 0.000 0.888 341 Q CA 0.334 56.252 55.803 0.191 0.000 0.934 341 Q CB -0.013 28.885 28.738 0.266 0.000 1.093 341 Q HN 0.715 nan 8.270 nan 0.000 0.523 342 Y N 2.810 123.154 120.300 0.073 0.000 2.096 342 Y HA -0.358 4.192 4.550 -0.000 0.000 0.278 342 Y C 1.685 177.695 175.900 0.183 0.000 1.192 342 Y CA 2.430 60.595 58.100 0.109 0.000 1.143 342 Y CB 0.208 38.707 38.460 0.066 0.000 0.963 342 Y HN 0.078 nan 8.280 nan 0.000 0.505 343 E N 0.023 120.492 120.200 0.449 0.000 2.015 343 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 343 E C 2.057 178.759 176.600 0.170 0.000 0.991 343 E CA 1.789 58.378 56.400 0.315 0.000 0.802 343 E CB -0.540 29.292 29.700 0.219 0.000 0.759 343 E HN 0.488 nan 8.360 nan 0.000 0.447 344 I N 0.255 120.911 120.570 0.142 0.000 2.194 344 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 344 I C 2.053 178.189 176.117 0.032 0.000 1.093 344 I CA 1.122 62.469 61.300 0.078 0.000 1.355 344 I CB -0.462 37.592 38.000 0.090 0.000 1.046 344 I HN 0.061 nan 8.210 nan 0.000 0.413 345 F N 0.623 120.522 119.950 -0.084 0.000 2.075 345 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 345 F C 2.908 178.531 175.800 -0.295 0.000 1.113 345 F CA 1.848 59.716 58.000 -0.219 0.000 1.218 345 F CB -0.668 38.175 39.000 -0.261 0.000 0.984 345 F HN 0.044 nan 8.300 nan 0.000 0.472 346 S N -0.010 115.644 115.700 -0.078 0.000 2.369 346 S HA -0.302 4.168 4.470 -0.000 0.000 0.225 346 S C 1.845 176.347 174.600 -0.163 0.000 1.043 346 S CA 2.217 60.378 58.200 -0.065 0.000 1.074 346 S CB -0.758 62.528 63.200 0.142 0.000 0.962 346 S HN 0.514 nan 8.310 nan 0.000 0.433 347 D N 0.857 121.198 120.400 -0.099 0.000 2.126 347 D HA -0.101 4.539 4.640 -0.000 0.000 0.190 347 D C 2.229 178.402 176.300 -0.212 0.000 1.001 347 D CA 1.667 55.602 54.000 -0.108 0.000 0.841 347 D CB -0.499 40.264 40.800 -0.062 0.000 0.949 347 D HN 0.492 nan 8.370 nan 0.000 0.446 348 A N -0.077 122.558 122.820 -0.309 0.000 1.978 348 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 348 A C 2.038 179.316 177.584 -0.509 0.000 1.170 348 A CA 1.328 53.120 52.037 -0.408 0.000 0.636 348 A CB -0.360 18.339 19.000 -0.501 0.000 0.810 348 A HN 0.149 nan 8.150 nan 0.000 0.448 349 M N -0.405 118.821 119.600 -0.623 0.000 2.134 349 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 349 M C 1.537 177.645 176.300 -0.321 0.000 1.076 349 M CA 1.302 56.257 55.300 -0.575 0.000 1.143 349 M CB -1.516 30.652 32.600 -0.719 0.000 1.346 349 M HN 0.329 nan 8.290 nan 0.000 0.421 350 D N 0.364 120.622 120.400 -0.237 0.000 2.149 350 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 350 D C 1.926 178.144 176.300 -0.136 0.000 1.001 350 D CA 1.492 55.393 54.000 -0.166 0.000 0.849 350 D CB -0.333 40.415 40.800 -0.086 0.000 0.939 350 D HN 0.420 nan 8.370 nan 0.000 0.449 351 Q N 0.124 119.825 119.800 -0.164 0.000 2.002 351 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 351 Q C 2.194 178.095 176.000 -0.165 0.000 0.988 351 Q CA 1.157 56.870 55.803 -0.150 0.000 0.843 351 Q CB -0.479 28.149 28.738 -0.183 0.000 0.908 351 Q HN 0.252 nan 8.270 nan 0.000 0.420 352 L N 0.079 121.163 121.223 -0.233 0.000 1.971 352 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 352 L C 2.189 178.951 176.870 -0.181 0.000 1.072 352 L CA 2.698 57.391 54.840 -0.244 0.000 0.758 352 L CB -1.222 40.646 42.059 -0.318 0.000 0.889 352 L HN 0.344 nan 8.230 nan 0.000 0.433 353 T N -0.122 114.332 114.554 -0.167 0.000 2.653 353 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 353 T C 1.735 176.413 174.700 -0.037 0.000 1.035 353 T CA 2.114 64.146 62.100 -0.113 0.000 1.154 353 T CB -0.621 68.136 68.868 -0.185 0.000 0.862 353 T HN 0.514 nan 8.240 nan 0.000 0.441 354 N N 0.416 119.107 118.700 -0.014 0.000 2.058 354 N HA -0.093 4.647 4.740 -0.000 0.000 0.191 354 N C 2.183 177.683 175.510 -0.016 0.000 1.037 354 N CA 1.351 54.416 53.050 0.025 0.000 0.848 354 N CB -0.144 38.355 38.487 0.020 0.000 1.021 354 N HN 0.224 nan 8.380 nan 0.000 0.422 355 S N 1.294 116.961 115.700 -0.056 0.000 2.400 355 S HA -0.099 4.371 4.470 -0.000 0.000 0.232 355 S C 1.798 176.365 174.600 -0.055 0.000 1.025 355 S CA 0.598 58.759 58.200 -0.064 0.000 0.993 355 S CB -0.272 62.867 63.200 -0.102 0.000 0.808 355 S HN 0.289 nan 8.310 nan 0.000 0.478 356 L N 2.118 123.294 121.223 -0.079 0.000 1.961 356 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 356 L C 2.050 178.934 176.870 0.022 0.000 1.072 356 L CA 1.854 56.643 54.840 -0.085 0.000 0.749 356 L CB -1.121 40.827 42.059 -0.185 0.000 0.889 356 L HN 0.229 nan 8.230 nan 0.000 0.432 357 I N 0.378 120.948 120.570 -0.000 0.000 2.143 357 I HA -0.374 3.796 4.170 -0.000 0.000 0.245 357 I C 2.554 178.721 176.117 0.084 0.000 1.068 357 I CA 1.873 63.192 61.300 0.031 0.000 1.326 357 I CB -1.761 36.259 38.000 0.033 0.000 1.028 357 I HN 0.340 nan 8.210 nan 0.000 0.412 358 T N 1.954 116.536 114.554 0.048 0.000 2.544 358 T HA -0.202 4.148 4.350 -0.000 0.000 0.264 358 T C 1.531 176.260 174.700 0.048 0.000 1.096 358 T CA 1.871 63.991 62.100 0.034 0.000 1.181 358 T CB -0.478 68.391 68.868 0.003 0.000 0.864 358 T HN 0.333 nan 8.240 nan 0.000 0.415 359 N N 0.467 119.189 118.700 0.036 0.000 2.659 359 N HA -0.090 4.650 4.740 -0.000 0.000 0.194 359 N C 0.912 176.359 175.510 -0.105 0.000 1.140 359 N CA 0.805 53.840 53.050 -0.025 0.000 0.936 359 N CB -0.313 38.144 38.487 -0.050 0.000 0.970 359 N HN 0.544 nan 8.380 nan 0.000 0.449 360 Y N -0.265 120.022 120.300 -0.020 0.000 2.478 360 Y HA 0.295 4.845 4.550 -0.000 0.000 0.261 360 Y C 0.564 176.460 175.900 -0.007 0.000 1.127 360 Y CA 0.127 58.221 58.100 -0.010 0.000 1.288 360 Y CB 0.453 38.899 38.460 -0.023 0.000 1.084 360 Y HN -0.078 nan 8.280 nan 0.000 0.530 361 M N 0.160 119.811 119.600 0.086 0.000 2.197 361 M HA 0.247 4.727 4.480 -0.000 0.000 0.301 361 M C -1.557 174.752 176.300 0.016 0.000 0.987 361 M CA -0.626 54.703 55.300 0.048 0.000 0.921 361 M CB 1.791 34.417 32.600 0.044 0.000 1.569 361 M HN -0.123 nan 8.290 nan 0.000 0.431 362 D N 5.203 125.608 120.400 0.007 0.000 2.232 362 D HA 0.473 5.113 4.640 -0.000 0.000 0.242 362 D C -2.022 174.279 176.300 0.002 0.000 1.093 362 D CA -0.987 53.013 54.000 -0.001 0.000 0.845 362 D CB 1.200 41.998 40.800 -0.004 0.000 1.124 362 D HN 0.366 nan 8.370 nan 0.000 0.467 363 P HA 0.294 nan 4.420 nan 0.000 0.278 363 P C -2.507 174.791 177.300 -0.004 0.000 1.238 363 P CA -1.586 61.511 63.100 -0.003 0.000 0.794 363 P CB 0.449 32.146 31.700 -0.004 0.000 0.955 364 P HA 0.105 nan 4.420 nan 0.000 0.165 364 P C -0.765 176.531 177.300 -0.007 0.000 1.190 364 P CA 1.086 64.181 63.100 -0.007 0.000 1.111 364 P CB -0.835 30.859 31.700 -0.010 0.000 1.648 365 A N 1.894 124.711 122.820 -0.005 0.000 2.547 365 A HA 0.476 4.796 4.320 -0.000 0.000 0.297 365 A C -0.312 177.266 177.584 -0.009 0.000 1.056 365 A CA -0.807 51.225 52.037 -0.009 0.000 0.688 365 A CB 0.980 19.974 19.000 -0.011 0.000 1.282 365 A HN 0.133 nan 8.150 nan 0.000 0.400 366 I N 3.695 124.257 120.570 -0.013 0.000 2.821 366 I HA 0.085 4.255 4.170 -0.000 0.000 0.294 366 I C -1.346 174.754 176.117 -0.028 0.000 1.210 366 I CA -0.539 60.750 61.300 -0.018 0.000 1.430 366 I CB 0.163 38.150 38.000 -0.021 0.000 1.356 366 I HN 0.503 nan 8.210 nan 0.000 0.563 367 P HA 0.108 nan 4.420 nan 0.000 0.270 367 P C -0.548 176.718 177.300 -0.056 0.000 1.223 367 P CA -0.412 62.663 63.100 -0.041 0.000 0.785 367 P CB 0.728 32.400 31.700 -0.046 0.000 0.923 368 A N 0.900 123.690 122.820 -0.049 0.000 2.332 368 A HA 0.529 4.849 4.320 -0.000 0.000 0.258 368 A C 1.375 178.918 177.584 -0.069 0.000 1.087 368 A CA 0.292 52.297 52.037 -0.053 0.000 0.802 368 A CB -0.707 18.269 19.000 -0.039 0.000 1.042 368 A HN 0.898 nan 8.150 nan 0.000 0.489 369 G N -0.506 108.250 108.800 -0.074 0.000 2.179 369 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.260 369 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.260 369 G C 0.226 175.049 174.900 -0.129 0.000 0.977 369 G CA 0.232 45.281 45.100 -0.086 0.000 0.641 369 G HN 1.306 nan 8.290 nan 0.000 0.533 370 L N 0.918 122.045 121.223 -0.159 0.000 2.315 370 L HA 0.693 5.033 4.340 -0.000 0.000 0.283 370 L C 0.154 176.844 176.870 -0.301 0.000 1.089 370 L CA 0.834 55.513 54.840 -0.269 0.000 0.833 370 L CB 0.324 42.221 42.059 -0.271 0.000 1.170 370 L HN 0.984 nan 8.230 nan 0.000 0.442 371 A N 5.898 128.498 122.820 -0.367 0.000 2.466 371 A HA 0.552 4.872 4.320 -0.000 0.000 0.284 371 A C -1.176 176.233 177.584 -0.291 0.000 1.049 371 A CA -0.538 51.341 52.037 -0.264 0.000 0.760 371 A CB 0.525 19.451 19.000 -0.124 0.000 1.274 371 A HN 0.581 nan 8.150 nan 0.000 0.412 372 F N 1.136 121.056 119.950 -0.050 0.000 2.429 372 F HA 0.362 4.889 4.527 -0.000 0.000 0.348 372 F C 1.626 177.392 175.800 -0.057 0.000 1.109 372 F CA 0.442 58.406 58.000 -0.061 0.000 1.232 372 F CB 1.565 40.526 39.000 -0.065 0.000 1.157 372 F HN 0.563 nan 8.300 nan 0.000 0.564 373 T N -0.489 114.142 114.554 0.128 0.000 3.060 373 T HA 0.073 4.423 4.350 -0.000 0.000 0.249 373 T C 0.149 174.859 174.700 0.017 0.000 1.079 373 T CA 0.243 62.370 62.100 0.045 0.000 1.013 373 T CB -0.116 68.757 68.868 0.009 0.000 0.975 373 T HN 0.544 nan 8.240 nan 0.000 0.518 374 S N 1.135 116.842 115.700 0.012 0.000 2.588 374 S HA 0.674 5.144 4.470 -0.000 0.000 0.275 374 S C -3.254 171.240 174.600 -0.177 0.000 1.130 374 S CA -1.697 56.440 58.200 -0.104 0.000 0.855 374 S CB 2.242 65.348 63.200 -0.157 0.000 1.116 374 S HN -0.106 nan 8.310 nan 0.000 0.472 375 P HA 0.090 nan 4.420 nan 0.000 0.274 375 P C 1.228 178.298 177.300 -0.384 0.000 1.260 375 P CA -0.531 62.384 63.100 -0.308 0.000 0.793 375 P CB 0.267 31.733 31.700 -0.390 0.000 1.048 376 W N 1.849 122.991 121.300 -0.264 0.000 2.359 376 W HA -0.173 4.487 4.660 -0.000 0.000 0.275 376 W C 0.842 177.378 176.519 0.029 0.000 1.217 376 W CA 0.745 58.005 57.345 -0.142 0.000 1.196 376 W CB -1.875 27.557 29.460 -0.046 0.000 1.129 376 W HN 0.268 nan 8.180 nan 0.000 0.566 377 F N 0.584 119.963 119.950 -0.952 0.000 2.641 377 F HA 0.506 5.033 4.527 -0.000 0.000 0.302 377 F C 0.984 176.581 175.800 -0.338 0.000 1.098 377 F CA -0.995 56.462 58.000 -0.905 0.000 1.318 377 F CB -0.726 37.445 39.000 -1.382 0.000 1.035 377 F HN -0.310 nan 8.300 nan 0.000 0.551 378 R N 0.202 120.444 120.500 -0.429 0.000 3.135 378 R HA 0.185 4.524 4.340 -0.000 0.000 0.343 378 R C 0.678 176.952 176.300 -0.044 0.000 1.227 378 R CA -0.492 55.484 56.100 -0.206 0.000 1.227 378 R CB -0.590 29.510 30.300 -0.333 0.000 1.436 378 R HN 0.290 nan 8.270 nan 0.000 0.595 379 F N 1.325 121.227 119.950 -0.080 0.000 2.135 379 F HA -0.402 4.125 4.527 -0.000 0.000 0.300 379 F C 2.200 178.022 175.800 0.036 0.000 1.074 379 F CA 2.419 60.424 58.000 0.009 0.000 1.262 379 F CB 0.108 39.161 39.000 0.089 0.000 1.013 379 F HN 0.238 nan 8.300 nan 0.000 0.489 380 S N -0.481 115.335 115.700 0.194 0.000 2.365 380 S HA -0.298 4.172 4.470 -0.000 0.000 0.225 380 S C 1.801 176.388 174.600 -0.022 0.000 1.039 380 S CA 1.685 59.938 58.200 0.089 0.000 1.033 380 S CB -0.872 62.368 63.200 0.066 0.000 0.887 380 S HN 0.608 nan 8.310 nan 0.000 0.447 381 E N 1.205 121.379 120.200 -0.043 0.000 2.028 381 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 381 E C 2.557 179.119 176.600 -0.063 0.000 0.988 381 E CA 0.829 57.198 56.400 -0.052 0.000 0.799 381 E CB -0.155 29.512 29.700 -0.054 0.000 0.755 381 E HN 0.416 nan 8.360 nan 0.000 0.447 382 R N 0.376 120.807 120.500 -0.115 0.000 2.127 382 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 382 R C 2.290 178.502 176.300 -0.146 0.000 1.134 382 R CA 1.104 57.159 56.100 -0.076 0.000 0.975 382 R CB -0.300 29.837 30.300 -0.271 0.000 0.865 382 R HN 0.133 nan 8.270 nan 0.000 0.447 383 A N 1.080 123.693 122.820 -0.345 0.000 1.930 383 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 383 A C 2.123 179.642 177.584 -0.109 0.000 1.175 383 A CA 1.258 53.122 52.037 -0.289 0.000 0.627 383 A CB -0.376 18.458 19.000 -0.275 0.000 0.815 383 A HN 0.230 nan 8.150 nan 0.000 0.443 384 R N -0.323 120.130 120.500 -0.079 0.000 2.082 384 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 384 R C 2.137 178.411 176.300 -0.043 0.000 1.136 384 R CA 2.526 58.600 56.100 -0.043 0.000 0.935 384 R CB -0.950 29.331 30.300 -0.031 0.000 0.842 384 R HN 0.427 nan 8.270 nan 0.000 0.430 385 T N 1.150 115.681 114.554 -0.038 0.000 2.684 385 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 385 T C 1.855 176.501 174.700 -0.090 0.000 1.036 385 T CA 1.771 63.830 62.100 -0.068 0.000 1.148 385 T CB -0.236 68.589 68.868 -0.072 0.000 0.863 385 T HN 0.230 nan 8.240 nan 0.000 0.436 386 I N 0.624 121.163 120.570 -0.050 0.000 2.286 386 I HA -0.077 4.093 4.170 -0.000 0.000 0.248 386 I C 1.996 178.078 176.117 -0.058 0.000 1.115 386 I CA 1.182 62.449 61.300 -0.055 0.000 1.392 386 I CB -0.380 37.606 38.000 -0.022 0.000 1.065 386 I HN 0.197 nan 8.210 nan 0.000 0.418 387 L N 0.519 121.713 121.223 -0.048 0.000 2.599 387 L HA 0.065 4.405 4.340 -0.000 0.000 0.230 387 L C 1.691 178.540 176.870 -0.035 0.000 1.141 387 L CA 0.016 54.834 54.840 -0.035 0.000 0.877 387 L CB -0.203 41.842 42.059 -0.024 0.000 1.009 387 L HN 0.157 nan 8.230 nan 0.000 0.447 388 A N 0.211 123.002 122.820 -0.047 0.000 2.708 388 A HA 0.405 4.725 4.320 -0.000 0.000 0.293 388 A C 0.266 177.817 177.584 -0.055 0.000 1.303 388 A CA -0.315 51.695 52.037 -0.045 0.000 0.949 388 A CB -0.175 18.798 19.000 -0.045 0.000 1.121 388 A HN 0.196 nan 8.150 nan 0.000 0.542 389 L N 0.760 121.950 121.223 -0.055 0.000 2.272 389 L HA 0.200 4.540 4.340 -0.000 0.000 0.284 389 L C 0.868 177.715 176.870 -0.039 0.000 1.045 389 L CA -0.683 54.122 54.840 -0.058 0.000 0.842 389 L CB 1.206 43.224 42.059 -0.069 0.000 1.224 389 L HN 0.371 nan 8.230 nan 0.000 0.430 390 Q N 1.307 121.086 119.800 -0.035 0.000 2.308 390 Q HA -0.168 4.172 4.340 -0.000 0.000 0.209 390 Q C 1.339 177.326 176.000 -0.021 0.000 0.985 390 Q CA 1.242 57.030 55.803 -0.024 0.000 0.881 390 Q CB -0.010 28.714 28.738 -0.023 0.000 0.917 390 Q HN 0.668 nan 8.270 nan 0.000 0.443 391 N N 0.427 119.112 118.700 -0.026 0.000 2.028 391 N HA -0.091 4.649 4.740 -0.000 0.000 0.194 391 N C 0.888 176.391 175.510 -0.012 0.000 1.050 391 N CA 0.973 54.011 53.050 -0.020 0.000 0.848 391 N CB -0.224 38.247 38.487 -0.027 0.000 1.038 391 N HN 0.081 nan 8.380 nan 0.000 0.423 392 V N 2.499 122.406 119.914 -0.012 0.000 2.834 392 V HA 0.110 4.230 4.120 -0.000 0.000 0.301 392 V C 0.311 176.406 176.094 0.002 0.000 1.066 392 V CA -0.894 61.406 62.300 -0.000 0.000 1.052 392 V CB 0.907 32.732 31.823 0.004 0.000 1.021 392 V HN 0.127 nan 8.190 nan 0.000 0.480 393 D N 1.534 121.941 120.400 0.011 0.000 2.390 393 D HA 0.007 4.647 4.640 -0.000 0.000 0.236 393 D C 1.009 177.316 176.300 0.011 0.000 1.189 393 D CA -0.258 53.750 54.000 0.013 0.000 0.887 393 D CB 1.145 41.957 40.800 0.021 0.000 1.198 393 D HN 0.450 nan 8.370 nan 0.000 0.444 394 L N 2.246 123.475 121.223 0.009 0.000 2.042 394 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 394 L C 1.733 178.609 176.870 0.010 0.000 1.076 394 L CA 1.697 56.541 54.840 0.007 0.000 0.749 394 L CB -0.481 41.582 42.059 0.008 0.000 0.893 394 L HN 0.308 nan 8.230 nan 0.000 0.432 395 N N 0.077 118.789 118.700 0.020 0.000 2.025 395 N HA -0.220 4.520 4.740 -0.000 0.000 0.194 395 N C 1.795 177.323 175.510 0.030 0.000 1.044 395 N CA 2.040 55.107 53.050 0.029 0.000 0.851 395 N CB -0.514 37.997 38.487 0.040 0.000 1.036 395 N HN 0.308 nan 8.380 nan 0.000 0.422 396 I N 1.450 122.048 120.570 0.047 0.000 2.567 396 I HA -0.151 4.019 4.170 -0.000 0.000 0.257 396 I C 2.350 178.459 176.117 -0.014 0.000 1.184 396 I CA 0.793 62.136 61.300 0.072 0.000 1.451 396 I CB -0.310 37.758 38.000 0.112 0.000 1.089 396 I HN 0.078 nan 8.210 nan 0.000 0.441 397 R N 0.396 120.883 120.500 -0.022 0.000 2.057 397 R HA -0.104 4.236 4.340 -0.000 0.000 0.229 397 R C 2.222 178.481 176.300 -0.068 0.000 1.136 397 R CA 1.196 57.266 56.100 -0.049 0.000 0.952 397 R CB -0.215 30.067 30.300 -0.029 0.000 0.848 397 R HN 0.277 nan 8.270 nan 0.000 0.430 398 K N 0.784 121.161 120.400 -0.038 0.000 2.001 398 K HA -0.155 4.165 4.320 -0.000 0.000 0.214 398 K C 2.111 178.664 176.600 -0.078 0.000 1.050 398 K CA 1.498 57.771 56.287 -0.024 0.000 0.934 398 K CB -0.408 32.093 32.500 0.003 0.000 0.718 398 K HN 0.080 nan 8.250 nan 0.000 0.443 399 L N 0.936 122.088 121.223 -0.118 0.000 2.051 399 L HA -0.267 4.073 4.340 -0.000 0.000 0.214 399 L C 2.482 179.069 176.870 -0.472 0.000 1.076 399 L CA 1.331 56.014 54.840 -0.260 0.000 0.758 399 L CB -0.574 41.414 42.059 -0.119 0.000 0.890 399 L HN 0.275 nan 8.230 nan 0.000 0.433 400 I N -0.928 119.345 120.570 -0.496 0.000 2.142 400 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 400 I C 2.513 178.523 176.117 -0.179 0.000 1.078 400 I CA 1.204 62.184 61.300 -0.533 0.000 1.343 400 I CB -0.219 37.531 38.000 -0.417 0.000 1.046 400 I HN 0.027 nan 8.210 nan 0.000 0.405 401 V N 0.966 120.847 119.914 -0.055 0.000 2.282 401 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 401 V C 2.556 178.859 176.094 0.349 0.000 1.057 401 V CA 2.031 64.415 62.300 0.140 0.000 1.032 401 V CB -0.854 31.051 31.823 0.136 0.000 0.645 401 V HN 0.394 nan 8.190 nan 0.000 0.447 402 R N -0.934 119.674 120.500 0.180 0.000 2.082 402 R HA -0.211 4.129 4.340 -0.000 0.000 0.234 402 R C 2.367 178.898 176.300 0.386 0.000 1.136 402 R CA 2.160 58.403 56.100 0.239 0.000 0.935 402 R CB -0.689 29.680 30.300 0.114 0.000 0.842 402 R HN 0.693 nan 8.270 nan 0.000 0.430 403 H N 0.148 119.157 119.070 -0.102 0.000 2.319 403 H HA -0.127 4.429 4.556 -0.000 0.000 0.297 403 H C 2.117 177.604 175.328 0.266 0.000 1.097 403 H CA 1.237 57.321 56.048 0.060 0.000 1.285 403 H CB 0.138 29.710 29.762 -0.316 0.000 1.368 403 H HN 0.068 nan 8.280 nan 0.000 0.495 404 L N 0.029 121.470 121.223 0.363 0.000 2.079 404 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 404 L C 2.122 179.306 176.870 0.523 0.000 1.081 404 L CA 1.712 56.772 54.840 0.367 0.000 0.752 404 L CB -1.042 41.212 42.059 0.325 0.000 0.896 404 L HN 0.544 nan 8.230 nan 0.000 0.433 405 W N 0.125 121.668 121.300 0.405 0.000 2.332 405 W HA -0.239 4.421 4.660 -0.000 0.000 0.321 405 W C 2.471 179.024 176.519 0.057 0.000 1.219 405 W CA 2.520 59.858 57.345 -0.013 0.000 1.277 405 W CB -0.487 28.958 29.460 -0.025 0.000 1.161 405 W HN -0.103 nan 8.180 nan 0.000 0.476 406 V N 1.259 121.542 119.914 0.616 0.000 2.317 406 V HA -0.392 3.728 4.120 -0.000 0.000 0.251 406 V C 2.165 178.383 176.094 0.207 0.000 1.065 406 V CA 1.920 64.493 62.300 0.456 0.000 1.049 406 V CB -1.078 31.051 31.823 0.511 0.000 0.651 406 V HN 0.229 nan 8.190 nan 0.000 0.450 407 I N -0.125 120.575 120.570 0.217 0.000 2.202 407 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 407 I C 2.565 178.702 176.117 0.032 0.000 1.091 407 I CA 1.906 63.251 61.300 0.076 0.000 1.368 407 I CB -1.735 36.293 38.000 0.047 0.000 1.058 407 I HN 0.329 nan 8.210 nan 0.000 0.410 408 T N 1.367 115.928 114.554 0.013 0.000 2.635 408 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 408 T C 2.147 176.764 174.700 -0.139 0.000 1.040 408 T CA 2.444 64.549 62.100 0.009 0.000 1.156 408 T CB -0.384 68.415 68.868 -0.116 0.000 0.863 408 T HN 0.571 nan 8.240 nan 0.000 0.430 409 S N 2.066 117.482 115.700 -0.474 0.000 2.359 409 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 409 S C 2.123 176.651 174.600 -0.120 0.000 1.039 409 S CA 1.298 59.201 58.200 -0.496 0.000 1.042 409 S CB -1.071 61.668 63.200 -0.769 0.000 0.915 409 S HN 0.466 nan 8.310 nan 0.000 0.439 410 L N 0.888 122.118 121.223 0.012 0.000 1.990 410 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 410 L C 2.772 179.722 176.870 0.133 0.000 1.072 410 L CA 1.987 56.932 54.840 0.175 0.000 0.755 410 L CB -0.776 41.356 42.059 0.121 0.000 0.889 410 L HN 0.365 nan 8.230 nan 0.000 0.432 411 I N -0.064 120.573 120.570 0.111 0.000 2.151 411 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 411 I C 2.786 178.821 176.117 -0.138 0.000 1.080 411 I CA 1.361 62.709 61.300 0.081 0.000 1.339 411 I CB -0.521 37.578 38.000 0.165 0.000 1.039 411 I HN 0.239 nan 8.210 nan 0.000 0.409 412 A N 0.063 122.886 122.820 0.006 0.000 2.032 412 A HA -0.154 4.166 4.320 -0.000 0.000 0.221 412 A C 2.360 179.944 177.584 0.000 0.000 1.165 412 A CA 1.955 54.020 52.037 0.048 0.000 0.645 412 A CB -0.741 18.311 19.000 0.086 0.000 0.807 412 A HN 0.312 nan 8.150 nan 0.000 0.453 413 V N -2.224 117.681 119.914 -0.015 0.000 2.426 413 V HA -0.049 4.071 4.120 -0.000 0.000 0.242 413 V C 2.127 178.111 176.094 -0.182 0.000 1.036 413 V CA 1.433 63.701 62.300 -0.054 0.000 1.044 413 V CB -0.803 31.010 31.823 -0.016 0.000 0.688 413 V HN 0.522 nan 8.190 nan 0.000 0.462 414 F N 1.534 121.243 119.950 -0.402 0.000 2.234 414 F HA 0.136 4.663 4.527 -0.000 0.000 0.296 414 F C 2.409 177.959 175.800 -0.417 0.000 1.089 414 F CA 1.301 58.966 58.000 -0.558 0.000 1.343 414 F CB -1.108 37.086 39.000 -1.343 0.000 1.040 414 F HN 0.190 nan 8.300 nan 0.000 0.498 415 G N -0.151 108.453 108.800 -0.327 0.000 2.443 415 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 415 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 415 G C 1.690 176.627 174.900 0.062 0.000 1.131 415 G CA 0.350 45.278 45.100 -0.287 0.000 0.775 415 G HN 0.211 nan 8.290 nan 0.000 0.547 416 R N -0.624 119.831 120.500 -0.076 0.000 2.246 416 R HA -0.244 4.096 4.340 -0.000 0.000 0.266 416 R C 1.565 177.723 176.300 -0.236 0.000 1.163 416 R CA 1.975 57.968 56.100 -0.178 0.000 0.992 416 R CB -0.587 29.407 30.300 -0.509 0.000 0.895 416 R HN 0.590 nan 8.270 nan 0.000 0.465 417 Y N -1.634 118.767 120.300 0.169 0.000 2.470 417 Y HA 0.073 4.623 4.550 -0.000 0.000 0.284 417 Y C 0.202 176.227 175.900 0.208 0.000 1.188 417 Y CA -0.903 57.285 58.100 0.146 0.000 1.269 417 Y CB -0.160 38.345 38.460 0.076 0.000 1.094 417 Y HN 0.018 nan 8.280 nan 0.000 0.518 418 Y N 2.882 123.309 120.300 0.211 0.000 2.721 418 Y HA 0.131 4.681 4.550 -0.000 0.000 0.329 418 Y C 0.416 176.391 175.900 0.125 0.000 1.211 418 Y CA -0.397 57.816 58.100 0.189 0.000 1.512 418 Y CB 0.204 38.813 38.460 0.248 0.000 1.249 418 Y HN 0.239 nan 8.280 nan 0.000 0.549 419 R N 7.175 127.520 120.500 -0.258 0.000 3.154 419 R HA 0.245 4.585 4.340 -0.000 0.000 0.260 419 R C -2.769 173.369 176.300 -0.270 0.000 1.515 419 R CA -0.880 55.055 56.100 -0.274 0.000 0.997 419 R CB 0.605 30.863 30.300 -0.070 0.000 1.437 419 R HN 0.404 nan 8.270 nan 0.000 0.398 420 P HA -0.091 nan 4.420 nan 0.000 0.215 420 P C -0.480 176.760 177.300 -0.101 0.000 1.157 420 P CA 0.559 63.525 63.100 -0.222 0.000 0.859 420 P CB 0.071 31.619 31.700 -0.253 0.000 0.786 421 N N 0.000 118.638 118.700 -0.103 0.000 1.763 421 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 421 N CA 0.000 53.017 53.050 -0.056 0.000 0.885 421 N CB 0.000 38.458 38.487 -0.049 0.000 1.341 421 N HN 0.000 nan 8.380 nan 0.000 0.667