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 1i7o_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKGTIFAVAL NHRSQLDAWQ EAFQQSPYKA PPKTAVWFIK PRNTVIGCGE DATA SEQUENCE PIPFPQGEKV LSGATVALIV GKTATKVREE DAAEYIAGYA LANDVSLPEE DATA SEQUENCE SFYRPAIKAK CRDGFCPIGE TVALSNVDNL TIYTEINGRP ADHWNTADLQ DATA SEQUENCE RNAAQLLSAL SEFATLNPGD AILLGTPQAR VEIQPGDRVR VLAEGFPPLE DATA SEQUENCE NPVVDEREVT TRKSFPTLPH PHGTLFALGL NYADHXXXXX XXXPEEPLVF DATA SEQUENCE LKAPNTLTGD NQTSVRPNNI EYMHYEAELV VVIGKQARNV SEADAMDYVA DATA SEQUENCE GYTVCNDYAI RDYLENYYRP NLRVKSRDGL TPMLSTIVPK EAIPDPHNLT DATA SEQUENCE LRTFVNGELR QQGTTADLIF SVPFLIAYLS EFMTLNPGDM IATGTPKGLS DATA SEQUENCE DVVPGDEVVV EVEGVGRLVN RIVSEETAK 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 0.000 176.331 176.300 0.052 0.000 1.140 1 M CA 0.000 55.330 55.300 0.050 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 K N 0.381 120.810 120.400 0.049 0.000 2.373 2 K HA 0.554 4.875 4.320 0.001 0.000 0.202 2 K C 0.601 177.220 176.600 0.033 0.000 1.025 2 K CA 0.432 56.754 56.287 0.058 0.000 1.115 2 K CB 0.684 33.228 32.500 0.073 0.000 0.858 2 K HN 0.377 nan 8.250 nan 0.000 0.525 3 G N 0.738 109.548 108.800 0.017 0.000 2.532 3 G HA2 0.217 4.178 3.960 0.001 0.000 0.291 3 G HA3 0.217 4.178 3.960 0.001 0.000 0.291 3 G C -0.867 174.000 174.900 -0.055 0.000 1.349 3 G CA -0.510 44.589 45.100 -0.001 0.000 1.038 3 G HN 0.090 nan 8.290 nan 0.000 0.518 4 T N 1.118 115.611 114.554 -0.101 0.000 2.869 4 T HA 0.322 4.673 4.350 0.001 0.000 0.295 4 T C 0.123 174.640 174.700 -0.305 0.000 0.987 4 T CA 0.019 61.950 62.100 -0.281 0.000 1.109 4 T CB 0.757 69.358 68.868 -0.445 0.000 0.932 4 T HN 0.117 nan 8.240 nan 0.000 0.518 5 I N 4.533 124.906 120.570 -0.328 0.000 2.297 5 I HA 0.341 4.512 4.170 0.001 0.000 0.291 5 I C -0.178 175.732 176.117 -0.346 0.000 1.033 5 I CA -0.645 60.532 61.300 -0.205 0.000 1.253 5 I CB -0.297 37.651 38.000 -0.088 0.000 1.396 5 I HN 0.508 nan 8.210 nan 0.000 0.476 6 F N 4.091 123.990 119.950 -0.086 0.000 2.408 6 F HA 0.775 5.302 4.527 0.001 0.000 0.325 6 F C 0.606 176.320 175.800 -0.143 0.000 1.082 6 F CA -0.484 57.447 58.000 -0.114 0.000 1.032 6 F CB 1.526 40.433 39.000 -0.155 0.000 1.259 6 F HN 0.506 nan 8.300 nan 0.000 0.503 7 A N 0.668 123.473 122.820 -0.025 0.000 2.589 7 A HA 0.612 4.932 4.320 0.001 0.000 0.296 7 A C -1.945 175.590 177.584 -0.083 0.000 1.062 7 A CA -0.691 51.172 52.037 -0.290 0.000 0.686 7 A CB 1.417 19.805 19.000 -1.021 0.000 1.282 7 A HN 0.618 nan 8.150 nan 0.000 0.404 8 V N 1.687 121.649 119.914 0.080 0.000 2.427 8 V HA 0.774 4.894 4.120 0.001 0.000 0.286 8 V C 0.433 176.656 176.094 0.215 0.000 1.034 8 V CA 0.343 62.666 62.300 0.039 0.000 0.893 8 V CB 1.111 32.825 31.823 -0.183 0.000 0.982 8 V HN 1.816 nan 8.190 nan 0.000 0.452 9 A N 5.398 128.372 122.820 0.256 0.000 2.299 9 A HA 0.803 5.123 4.320 0.001 0.000 0.332 9 A C 0.341 177.805 177.584 -0.199 0.000 1.131 9 A CA -0.647 51.498 52.037 0.181 0.000 0.844 9 A CB 0.823 20.018 19.000 0.324 0.000 1.251 9 A HN 1.470 nan 8.150 nan 0.000 0.486 10 L N -0.301 120.718 121.223 -0.340 0.000 3.717 10 L HA -0.216 4.124 4.340 0.001 0.000 0.414 10 L C 0.806 177.504 176.870 -0.287 0.000 1.228 10 L CA 0.689 55.245 54.840 -0.474 0.000 0.918 10 L CB -1.458 40.185 42.059 -0.692 0.000 1.865 10 L HN 0.910 nan 8.230 nan 0.000 0.922 11 N N -0.861 117.736 118.700 -0.171 0.000 2.236 11 N HA 0.029 4.770 4.740 0.001 0.000 0.196 11 N C 0.319 175.795 175.510 -0.057 0.000 1.114 11 N CA 0.117 53.095 53.050 -0.120 0.000 0.859 11 N CB 0.297 38.737 38.487 -0.079 0.000 0.982 11 N HN 0.603 nan 8.380 nan 0.000 0.493 12 H N -0.264 118.712 119.070 -0.155 0.000 2.467 12 H HA 0.371 4.927 4.556 0.001 0.000 0.326 12 H C 1.037 176.303 175.328 -0.104 0.000 1.094 12 H CA -0.479 55.488 56.048 -0.134 0.000 1.253 12 H CB 0.954 30.574 29.762 -0.236 0.000 1.439 12 H HN -0.101 nan 8.280 nan 0.000 0.479 13 R N 1.544 121.901 120.500 -0.239 0.000 2.152 13 R HA -0.137 4.203 4.340 0.001 0.000 0.232 13 R C 2.059 178.362 176.300 0.005 0.000 1.117 13 R CA 1.489 57.523 56.100 -0.110 0.000 0.981 13 R CB 0.040 30.255 30.300 -0.142 0.000 0.870 13 R HN 0.698 nan 8.270 nan 0.000 0.451 14 S N -0.078 115.716 115.700 0.156 0.000 2.428 14 S HA -0.198 4.273 4.470 0.001 0.000 0.230 14 S C 1.990 176.648 174.600 0.098 0.000 1.014 14 S CA 0.917 59.205 58.200 0.148 0.000 0.957 14 S CB 0.034 63.363 63.200 0.215 0.000 0.784 14 S HN 0.353 nan 8.310 nan 0.000 0.499 15 Q N 0.688 120.549 119.800 0.101 0.000 2.137 15 Q HA 0.178 4.519 4.340 0.001 0.000 0.198 15 Q C 2.113 178.151 176.000 0.064 0.000 0.960 15 Q CA 0.853 56.708 55.803 0.087 0.000 0.847 15 Q CB -0.257 28.467 28.738 -0.023 0.000 0.915 15 Q HN 0.594 nan 8.270 nan 0.000 0.448 16 L N 0.768 121.985 121.223 -0.011 0.000 2.083 16 L HA -0.215 4.126 4.340 0.001 0.000 0.209 16 L C 1.842 178.698 176.870 -0.024 0.000 1.083 16 L CA 1.134 55.958 54.840 -0.026 0.000 0.752 16 L CB -0.361 41.673 42.059 -0.041 0.000 0.899 16 L HN 0.294 nan 8.230 nan 0.000 0.433 17 D N 0.155 120.548 120.400 -0.011 0.000 2.084 17 D HA -0.149 4.492 4.640 0.001 0.000 0.196 17 D C 2.235 178.501 176.300 -0.057 0.000 0.985 17 D CA 1.576 55.560 54.000 -0.027 0.000 0.826 17 D CB -0.122 40.670 40.800 -0.014 0.000 0.978 17 D HN 0.272 nan 8.370 nan 0.000 0.456 18 A N -0.238 122.559 122.820 -0.038 0.000 1.978 18 A HA -0.165 4.156 4.320 0.001 0.000 0.220 18 A C 1.688 179.103 177.584 -0.283 0.000 1.170 18 A CA 1.075 53.038 52.037 -0.123 0.000 0.636 18 A CB -0.917 18.037 19.000 -0.078 0.000 0.810 18 A HN 0.309 nan 8.150 nan 0.000 0.448 19 W N -0.595 120.459 121.300 -0.410 0.000 3.278 19 W HA 0.215 4.876 4.660 0.001 0.000 0.308 19 W C 2.100 178.141 176.519 -0.797 0.000 1.253 19 W CA 0.241 57.125 57.345 -0.768 0.000 1.759 19 W CB -0.003 28.646 29.460 -1.351 0.000 1.093 19 W HN 0.501 nan 8.180 nan 0.000 0.648 20 Q N 1.012 120.660 119.800 -0.254 0.000 2.082 20 Q HA -0.318 4.022 4.340 0.001 0.000 0.211 20 Q C 1.733 177.695 176.000 -0.064 0.000 1.002 20 Q CA 2.450 58.187 55.803 -0.110 0.000 0.868 20 Q CB 0.048 28.752 28.738 -0.057 0.000 0.931 20 Q HN 0.151 nan 8.270 nan 0.000 0.414 21 E N -0.081 120.060 120.200 -0.098 0.000 2.023 21 E HA -0.178 4.173 4.350 0.001 0.000 0.196 21 E C 1.806 178.408 176.600 0.003 0.000 1.003 21 E CA 1.535 57.906 56.400 -0.049 0.000 0.809 21 E CB -0.455 29.196 29.700 -0.082 0.000 0.755 21 E HN 0.502 nan 8.360 nan 0.000 0.449 22 A N 0.144 122.929 122.820 -0.060 0.000 1.986 22 A HA -0.189 4.132 4.320 0.001 0.000 0.220 22 A C 1.595 179.413 177.584 0.390 0.000 1.171 22 A CA 1.312 53.410 52.037 0.102 0.000 0.640 22 A CB -0.760 18.241 19.000 0.002 0.000 0.811 22 A HN 0.274 nan 8.150 nan 0.000 0.451 23 F N -0.280 119.770 119.950 0.167 0.000 2.816 23 F HA 0.079 4.607 4.527 0.001 0.000 0.302 23 F C 1.890 177.806 175.800 0.195 0.000 1.178 23 F CA 0.345 58.452 58.000 0.178 0.000 1.421 23 F CB -0.180 38.892 39.000 0.121 0.000 1.114 23 F HN 0.332 nan 8.300 nan 0.000 0.573 24 Q N -0.711 119.281 119.800 0.321 0.000 2.246 24 Q HA 0.137 4.477 4.340 0.001 0.000 0.222 24 Q C 0.403 176.504 176.000 0.169 0.000 0.851 24 Q CA 0.265 56.191 55.803 0.205 0.000 0.945 24 Q CB 0.968 29.787 28.738 0.134 0.000 1.122 24 Q HN 0.307 nan 8.270 nan 0.000 0.508 25 Q N 0.062 119.987 119.800 0.210 0.000 2.297 25 Q HA 0.401 4.741 4.340 0.001 0.000 0.269 25 Q C -0.209 175.871 176.000 0.133 0.000 1.051 25 Q CA -0.493 55.395 55.803 0.141 0.000 0.869 25 Q CB 1.578 30.386 28.738 0.116 0.000 1.346 25 Q HN -0.096 nan 8.270 nan 0.000 0.457 26 S N 2.744 118.456 115.700 0.021 0.000 2.566 26 S HA 0.043 4.513 4.470 0.001 0.000 0.280 26 S C -1.416 173.071 174.600 -0.188 0.000 1.343 26 S CA -0.480 57.660 58.200 -0.100 0.000 1.036 26 S CB 0.167 63.295 63.200 -0.119 0.000 0.866 26 S HN 0.463 nan 8.310 nan 0.000 0.526 27 P HA 0.079 nan 4.420 nan 0.000 0.255 27 P C 0.283 177.286 177.300 -0.495 0.000 1.248 27 P CA 0.578 63.302 63.100 -0.627 0.000 0.807 27 P CB 0.030 31.005 31.700 -1.208 0.000 1.150 28 Y N 1.455 121.691 120.300 -0.106 0.000 2.263 28 Y HA -0.120 4.430 4.550 0.001 0.000 0.292 28 Y C 2.542 178.403 175.900 -0.065 0.000 1.130 28 Y CA 1.358 59.360 58.100 -0.163 0.000 1.179 28 Y CB -0.515 37.897 38.460 -0.081 0.000 0.998 28 Y HN -0.067 nan 8.280 nan 0.000 0.532 29 K N -0.643 119.848 120.400 0.152 0.000 7.382 29 K HA -0.317 4.003 4.320 0.001 0.000 0.476 29 K C -0.136 176.551 176.600 0.145 0.000 0.371 29 K CA 1.264 57.616 56.287 0.108 0.000 1.942 29 K CB -1.664 30.866 32.500 0.050 0.000 0.717 29 K HN 0.358 nan 8.250 nan 0.000 0.835 30 A N 0.320 123.242 122.820 0.169 0.000 2.587 30 A HA 0.710 5.031 4.320 0.001 0.000 0.293 30 A C -2.929 174.791 177.584 0.228 0.000 1.087 30 A CA -1.138 51.002 52.037 0.173 0.000 0.692 30 A CB 1.713 20.782 19.000 0.116 0.000 1.291 30 A HN 0.102 nan 8.150 nan 0.000 0.407 31 P HA 0.370 nan 4.420 nan 0.000 0.272 31 P C -2.642 174.595 177.300 -0.104 0.000 1.240 31 P CA -1.037 62.099 63.100 0.060 0.000 0.791 31 P CB -0.506 31.243 31.700 0.081 0.000 0.978 32 P HA 0.099 nan 4.420 nan 0.000 0.267 32 P C 0.036 177.173 177.300 -0.271 0.000 1.205 32 P CA 0.324 63.048 63.100 -0.626 0.000 0.765 32 P CB 0.320 31.414 31.700 -1.010 0.000 0.828 33 K N 0.269 120.579 120.400 -0.150 0.000 2.354 33 K HA 0.126 4.446 4.320 0.001 0.000 0.194 33 K C 0.786 177.325 176.600 -0.101 0.000 1.045 33 K CA 0.430 56.663 56.287 -0.090 0.000 1.026 33 K CB 0.284 32.765 32.500 -0.031 0.000 0.866 33 K HN 0.562 nan 8.250 nan 0.000 0.530 34 T N -2.414 112.059 114.554 -0.134 0.000 2.865 34 T HA 0.671 5.022 4.350 0.001 0.000 0.294 34 T C -0.434 174.132 174.700 -0.225 0.000 1.119 34 T CA -1.132 60.895 62.100 -0.122 0.000 1.007 34 T CB 1.639 70.474 68.868 -0.055 0.000 1.225 34 T HN 0.019 nan 8.240 nan 0.000 0.515 35 A N 0.682 123.345 122.820 -0.261 0.000 2.520 35 A HA 0.530 4.850 4.320 0.001 0.000 0.235 35 A C 0.163 177.351 177.584 -0.660 0.000 1.065 35 A CA -0.425 51.269 52.037 -0.571 0.000 0.764 35 A CB -0.268 18.202 19.000 -0.884 0.000 1.002 35 A HN 0.926 nan 8.150 nan 0.000 0.502 36 V N 2.861 122.387 119.914 -0.648 0.000 2.311 36 V HA 0.246 4.366 4.120 0.001 0.000 0.275 36 V C -0.601 175.385 176.094 -0.181 0.000 1.022 36 V CA -0.184 61.914 62.300 -0.337 0.000 0.830 36 V CB -0.053 31.559 31.823 -0.352 0.000 1.012 36 V HN 0.852 nan 8.190 nan 0.000 0.452 37 W N 5.557 127.040 121.300 0.305 0.000 2.449 37 W HA 0.750 5.410 4.660 0.001 0.000 0.331 37 W C -0.137 176.723 176.519 0.569 0.000 1.119 37 W CA -0.679 56.885 57.345 0.365 0.000 1.240 37 W CB 1.393 31.031 29.460 0.297 0.000 1.251 37 W HN 0.582 nan 8.180 nan 0.000 0.576 38 F N -0.028 120.260 119.950 0.564 0.000 2.692 38 F HA 0.867 5.394 4.527 0.001 0.000 0.320 38 F C -1.398 174.569 175.800 0.277 0.000 1.123 38 F CA -2.451 55.751 58.000 0.337 0.000 0.961 38 F CB 0.867 39.972 39.000 0.174 0.000 1.383 38 F HN 0.140 nan 8.300 nan 0.000 0.483 39 I N 1.754 122.476 120.570 0.254 0.000 2.582 39 I HA 0.343 4.514 4.170 0.001 0.000 0.292 39 I C -0.989 175.170 176.117 0.070 0.000 1.066 39 I CA -1.047 60.250 61.300 -0.004 0.000 1.053 39 I CB 2.297 40.246 38.000 -0.085 0.000 1.241 39 I HN 0.408 nan 8.210 nan 0.000 0.421 40 K N 6.960 127.352 120.400 -0.014 0.000 2.299 40 K HA 0.390 4.710 4.320 0.001 0.000 0.268 40 K C -2.467 174.111 176.600 -0.038 0.000 1.075 40 K CA -1.623 54.699 56.287 0.059 0.000 0.936 40 K CB 1.099 33.662 32.500 0.105 0.000 1.228 40 K HN 0.271 nan 8.250 nan 0.000 0.454 41 P HA 0.072 nan 4.420 nan 0.000 0.274 41 P C 0.502 177.746 177.300 -0.092 0.000 1.260 41 P CA -0.303 62.713 63.100 -0.139 0.000 0.793 41 P CB 0.729 32.313 31.700 -0.194 0.000 1.048 42 R N 1.357 121.754 120.500 -0.171 0.000 2.127 42 R HA -0.163 4.177 4.340 0.001 0.000 0.238 42 R C 1.570 177.937 176.300 0.111 0.000 1.134 42 R CA 1.892 57.912 56.100 -0.134 0.000 0.975 42 R CB -1.277 28.715 30.300 -0.513 0.000 0.865 42 R HN 0.428 nan 8.270 nan 0.000 0.447 43 N N 1.477 120.231 118.700 0.090 0.000 2.381 43 N HA -0.155 4.585 4.740 0.001 0.000 0.182 43 N C 1.443 177.047 175.510 0.156 0.000 1.025 43 N CA 1.771 54.945 53.050 0.208 0.000 0.888 43 N CB -0.370 38.189 38.487 0.119 0.000 0.965 43 N HN 0.530 nan 8.380 nan 0.000 0.438 44 T N -2.123 112.504 114.554 0.122 0.000 3.054 44 T HA 0.149 4.500 4.350 0.001 0.000 0.259 44 T C 0.825 175.619 174.700 0.156 0.000 1.092 44 T CA -0.188 62.001 62.100 0.148 0.000 1.121 44 T CB -0.372 68.593 68.868 0.162 0.000 0.912 44 T HN -0.059 nan 8.240 nan 0.000 0.489 45 V N 4.249 124.249 119.914 0.143 0.000 2.455 45 V HA 0.481 4.601 4.120 0.001 0.000 0.273 45 V C 0.319 176.488 176.094 0.126 0.000 1.045 45 V CA -0.807 61.569 62.300 0.127 0.000 0.976 45 V CB -0.025 31.862 31.823 0.106 0.000 0.993 45 V HN 0.587 nan 8.190 nan 0.000 0.475 46 I N 2.051 122.685 120.570 0.107 0.000 3.042 46 I HA 1.004 5.174 4.170 0.001 0.000 0.310 46 I C 0.384 176.547 176.117 0.077 0.000 1.117 46 I CA -0.832 60.520 61.300 0.086 0.000 1.003 46 I CB 2.267 40.319 38.000 0.086 0.000 1.228 46 I HN 0.551 nan 8.210 nan 0.000 0.443 47 G N 0.563 109.401 108.800 0.063 0.000 2.642 47 G HA2 0.405 4.365 3.960 0.001 0.000 0.291 47 G HA3 0.405 4.365 3.960 0.001 0.000 0.291 47 G C -0.853 174.081 174.900 0.057 0.000 1.345 47 G CA -0.695 44.441 45.100 0.060 0.000 1.043 47 G HN 0.854 nan 8.290 nan 0.000 0.528 48 C N -0.400 118.933 119.300 0.055 0.000 2.642 48 C HA 0.468 4.928 4.460 0.001 0.000 0.420 48 C C 1.918 176.935 174.990 0.045 0.000 1.349 48 C CA 1.548 60.598 59.018 0.052 0.000 1.821 48 C CB -0.682 27.090 27.740 0.052 0.000 2.637 48 C HN 1.935 nan 8.230 nan 0.000 0.605 49 G N 4.090 112.917 108.800 0.044 0.000 2.234 49 G HA2 -0.197 3.764 3.960 0.001 0.000 0.260 49 G HA3 -0.197 3.764 3.960 0.001 0.000 0.260 49 G C 0.069 174.993 174.900 0.040 0.000 0.987 49 G CA 0.463 45.586 45.100 0.039 0.000 0.625 49 G HN 0.857 nan 8.290 nan 0.000 0.532 50 E N 2.354 122.580 120.200 0.044 0.000 2.383 50 E HA 0.308 4.658 4.350 0.001 0.000 0.264 50 E C -2.070 174.564 176.600 0.056 0.000 1.050 50 E CA -1.270 55.158 56.400 0.046 0.000 0.896 50 E CB 0.913 30.642 29.700 0.048 0.000 0.982 50 E HN 0.279 nan 8.360 nan 0.000 0.424 51 P HA 0.078 nan 4.420 nan 0.000 0.271 51 P C -0.433 176.926 177.300 0.098 0.000 1.216 51 P CA 0.257 63.401 63.100 0.072 0.000 0.776 51 P CB 0.581 32.321 31.700 0.066 0.000 0.881 52 I N 5.669 126.306 120.570 0.112 0.000 2.322 52 I HA 0.171 4.341 4.170 0.001 0.000 0.292 52 I C -1.998 174.238 176.117 0.197 0.000 1.060 52 I CA -2.438 58.951 61.300 0.149 0.000 1.309 52 I CB 0.916 38.977 38.000 0.101 0.000 1.415 52 I HN 0.104 nan 8.210 nan 0.000 0.492 53 P HA 0.055 nan 4.420 nan 0.000 0.276 53 P C -0.737 176.727 177.300 0.274 0.000 1.243 53 P CA -0.122 63.101 63.100 0.205 0.000 0.768 53 P CB 0.281 32.061 31.700 0.134 0.000 0.856 54 F N 6.898 126.928 119.950 0.133 0.000 2.411 54 F HA 0.405 4.933 4.527 0.001 0.000 0.355 54 F C -2.163 173.704 175.800 0.113 0.000 1.117 54 F CA -2.974 55.114 58.000 0.145 0.000 1.139 54 F CB 0.943 39.998 39.000 0.091 0.000 1.120 54 F HN 0.204 nan 8.300 nan 0.000 0.493 55 P HA 0.063 nan 4.420 nan 0.000 0.282 55 P C -1.072 176.309 177.300 0.136 0.000 1.262 55 P CA -0.335 62.760 63.100 -0.009 0.000 0.773 55 P CB 1.194 32.818 31.700 -0.125 0.000 0.879 56 Q N 2.027 121.956 119.800 0.216 0.000 2.364 56 Q HA 0.483 4.824 4.340 0.001 0.000 0.267 56 Q C 0.979 177.067 176.000 0.147 0.000 0.999 56 Q CA 1.285 57.235 55.803 0.246 0.000 0.886 56 Q CB 0.345 29.180 28.738 0.161 0.000 1.243 56 Q HN 0.825 nan 8.270 nan 0.000 0.415 57 G N 1.476 110.374 108.800 0.162 0.000 2.033 57 G HA2 0.233 4.193 3.960 0.001 0.000 0.088 57 G HA3 0.233 4.193 3.960 0.001 0.000 0.088 57 G C -1.290 173.665 174.900 0.090 0.000 0.790 57 G CA 0.063 45.218 45.100 0.092 0.000 1.131 57 G HN 0.629 nan 8.290 nan 0.000 0.361 58 E N -0.171 120.080 120.200 0.084 0.000 7.427 58 E HA 0.091 4.442 4.350 0.001 0.000 0.205 58 E C -0.952 175.693 176.600 0.074 0.000 0.897 58 E CA 0.053 56.483 56.400 0.050 0.000 1.667 58 E CB -0.517 29.188 29.700 0.009 0.000 0.894 58 E HN 0.653 nan 8.360 nan 0.000 0.287 59 K N 2.704 123.130 120.400 0.043 0.000 2.211 59 K HA 0.691 5.011 4.320 0.001 0.000 0.275 59 K C -0.904 175.698 176.600 0.004 0.000 1.024 59 K CA -0.669 55.658 56.287 0.066 0.000 0.887 59 K CB 1.061 33.594 32.500 0.056 0.000 1.084 59 K HN 0.181 nan 8.250 nan 0.000 0.463 60 V N 6.175 126.092 119.914 0.005 0.000 2.540 60 V HA 0.414 4.535 4.120 0.001 0.000 0.302 60 V C -0.539 175.538 176.094 -0.028 0.000 1.035 60 V CA -0.921 61.325 62.300 -0.091 0.000 0.873 60 V CB 1.486 33.130 31.823 -0.298 0.000 0.992 60 V HN 0.692 nan 8.190 nan 0.000 0.428 61 L N 2.994 124.170 121.223 -0.078 0.000 2.329 61 L HA 0.566 4.907 4.340 0.001 0.000 0.279 61 L C 0.525 177.341 176.870 -0.091 0.000 1.014 61 L CA -0.298 54.511 54.840 -0.052 0.000 0.814 61 L CB 1.970 44.009 42.059 -0.034 0.000 1.257 61 L HN 0.677 nan 8.230 nan 0.000 0.424 62 S N 1.199 116.872 115.700 -0.045 0.000 2.584 62 S HA 0.467 4.937 4.470 0.001 0.000 0.270 62 S C 0.531 175.122 174.600 -0.016 0.000 1.346 62 S CA 0.153 58.332 58.200 -0.036 0.000 1.018 62 S CB 0.822 64.027 63.200 0.009 0.000 0.899 62 S HN 0.839 nan 8.310 nan 0.000 0.542 63 G N 1.585 110.393 108.800 0.013 0.000 4.849 63 G HA2 0.561 4.522 3.960 0.001 0.000 0.247 63 G HA3 0.561 4.522 3.960 0.001 0.000 0.247 63 G C -0.137 174.842 174.900 0.132 0.000 1.128 63 G CA 0.069 45.199 45.100 0.049 0.000 0.864 63 G HN 0.998 nan 8.290 nan 0.000 0.567 64 A N 0.644 123.570 122.820 0.177 0.000 2.566 64 A HA 0.596 4.916 4.320 0.001 0.000 0.245 64 A C 0.685 178.523 177.584 0.422 0.000 1.056 64 A CA 1.309 53.489 52.037 0.238 0.000 0.757 64 A CB 0.477 19.605 19.000 0.213 0.000 0.979 64 A HN 0.805 nan 8.150 nan 0.000 0.508 65 T N 0.542 115.264 114.554 0.279 0.000 2.637 65 T HA 0.529 4.880 4.350 0.001 0.000 0.303 65 T C -1.170 173.583 174.700 0.089 0.000 1.288 65 T CA 0.322 62.632 62.100 0.350 0.000 1.040 65 T CB 0.810 69.917 68.868 0.398 0.000 1.644 65 T HN 1.752 nan 8.240 nan 0.000 0.480 66 V N 0.693 120.666 119.914 0.098 0.000 2.876 66 V HA 0.940 5.060 4.120 0.001 0.000 0.312 66 V C -0.989 175.210 176.094 0.175 0.000 1.085 66 V CA -0.199 62.125 62.300 0.040 0.000 0.945 66 V CB 1.420 33.196 31.823 -0.079 0.000 1.017 66 V HN 1.284 nan 8.190 nan 0.000 0.428 67 A N 5.981 128.929 122.820 0.213 0.000 2.318 67 A HA 0.792 5.112 4.320 0.001 0.000 0.324 67 A C -0.632 177.113 177.584 0.269 0.000 1.170 67 A CA -0.657 51.511 52.037 0.217 0.000 0.810 67 A CB 1.092 20.187 19.000 0.157 0.000 1.198 67 A HN 1.708 nan 8.150 nan 0.000 0.484 68 L N 1.759 123.120 121.223 0.230 0.000 2.397 68 L HA 0.628 4.968 4.340 0.001 0.000 0.271 68 L C -0.600 176.239 176.870 -0.051 0.000 1.148 68 L CA 0.018 54.857 54.840 -0.002 0.000 0.825 68 L CB 0.109 42.181 42.059 0.023 0.000 1.117 68 L HN 0.425 nan 8.230 nan 0.000 0.456 69 I N 4.310 124.782 120.570 -0.164 0.000 2.362 69 I HA 0.320 4.490 4.170 0.001 0.000 0.289 69 I C -0.022 176.042 176.117 -0.088 0.000 0.994 69 I CA -0.636 60.619 61.300 -0.075 0.000 1.158 69 I CB 1.533 39.501 38.000 -0.053 0.000 1.315 69 I HN 0.442 nan 8.210 nan 0.000 0.451 70 V N 6.045 125.941 119.914 -0.031 0.000 2.555 70 V HA 0.292 4.412 4.120 0.001 0.000 0.286 70 V C 1.323 177.407 176.094 -0.017 0.000 1.044 70 V CA 0.230 62.521 62.300 -0.015 0.000 1.026 70 V CB 1.131 32.959 31.823 0.009 0.000 0.981 70 V HN 1.030 nan 8.190 nan 0.000 0.480 71 G N 4.463 113.250 108.800 -0.021 0.000 2.709 71 G HA2 0.167 4.128 3.960 0.001 0.000 0.208 71 G HA3 0.167 4.128 3.960 0.001 0.000 0.208 71 G C 0.386 175.263 174.900 -0.039 0.000 1.129 71 G CA 0.150 45.226 45.100 -0.040 0.000 0.793 71 G HN 0.691 nan 8.290 nan 0.000 0.524 72 K N -0.514 119.875 120.400 -0.019 0.000 2.536 72 K HA 0.454 4.774 4.320 0.001 0.000 0.269 72 K C -1.183 175.467 176.600 0.083 0.000 0.965 72 K CA -0.687 55.592 56.287 -0.015 0.000 0.860 72 K CB 0.763 33.195 32.500 -0.115 0.000 1.423 72 K HN -0.152 nan 8.250 nan 0.000 0.438 73 T N 1.143 115.739 114.554 0.069 0.000 2.800 73 T HA 0.163 4.513 4.350 0.001 0.000 0.283 73 T C -0.212 174.595 174.700 0.178 0.000 0.999 73 T CA 0.503 62.655 62.100 0.086 0.000 1.176 73 T CB -0.014 68.884 68.868 0.050 0.000 0.973 73 T HN 0.579 nan 8.240 nan 0.000 0.519 74 A N 4.066 126.929 122.820 0.071 0.000 2.323 74 A HA 0.613 4.933 4.320 0.001 0.000 0.305 74 A C 0.212 177.691 177.584 -0.175 0.000 1.275 74 A CA -0.686 51.306 52.037 -0.074 0.000 0.804 74 A CB 0.925 19.850 19.000 -0.126 0.000 1.152 74 A HN 0.687 nan 8.150 nan 0.000 0.487 75 T N 2.125 116.572 114.554 -0.179 0.000 2.879 75 T HA 0.418 4.768 4.350 0.001 0.000 0.290 75 T C -0.219 174.371 174.700 -0.183 0.000 0.993 75 T CA -0.569 61.434 62.100 -0.161 0.000 0.975 75 T CB 0.954 69.772 68.868 -0.085 0.000 0.981 75 T HN 0.680 nan 8.240 nan 0.000 0.439 76 K N 1.282 121.570 120.400 -0.186 0.000 3.156 76 K HA -0.127 4.194 4.320 0.001 0.000 0.266 76 K C -0.183 176.298 176.600 -0.197 0.000 0.966 76 K CA -0.061 56.132 56.287 -0.157 0.000 0.719 76 K CB -1.492 30.953 32.500 -0.093 0.000 1.333 76 K HN 0.395 nan 8.250 nan 0.000 0.468 77 V N 1.360 121.095 119.914 -0.299 0.000 2.572 77 V HA 0.049 4.169 4.120 0.001 0.000 0.291 77 V C 1.116 177.087 176.094 -0.206 0.000 1.039 77 V CA -0.039 62.038 62.300 -0.372 0.000 1.055 77 V CB 0.900 32.315 31.823 -0.680 0.000 0.969 77 V HN 0.281 nan 8.190 nan 0.000 0.482 78 R N 3.326 123.743 120.500 -0.138 0.000 2.539 78 R HA 0.196 4.536 4.340 0.001 0.000 0.275 78 R C 1.171 177.439 176.300 -0.053 0.000 1.077 78 R CA -0.393 55.664 56.100 -0.071 0.000 1.097 78 R CB 0.871 31.150 30.300 -0.035 0.000 1.018 78 R HN 0.725 nan 8.270 nan 0.000 0.483 79 E N 2.057 122.239 120.200 -0.030 0.000 2.097 79 E HA -0.273 4.077 4.350 0.001 0.000 0.196 79 E C 1.522 178.128 176.600 0.011 0.000 1.000 79 E CA 1.674 58.069 56.400 -0.009 0.000 0.804 79 E CB 0.047 29.748 29.700 0.000 0.000 0.740 79 E HN 0.653 nan 8.360 nan 0.000 0.454 80 E N 0.982 121.190 120.200 0.012 0.000 2.338 80 E HA -0.197 4.153 4.350 0.001 0.000 0.197 80 E C 0.648 177.274 176.600 0.043 0.000 1.007 80 E CA 1.013 57.428 56.400 0.026 0.000 0.849 80 E CB 0.010 29.722 29.700 0.019 0.000 0.774 80 E HN 0.240 nan 8.360 nan 0.000 0.506 81 D N 0.717 121.147 120.400 0.050 0.000 2.349 81 D HA 0.218 4.858 4.640 0.001 0.000 0.214 81 D C 1.613 178.014 176.300 0.169 0.000 1.063 81 D CA 0.663 54.727 54.000 0.107 0.000 0.847 81 D CB 0.483 41.355 40.800 0.121 0.000 0.933 81 D HN 0.251 nan 8.370 nan 0.000 0.513 82 A N 1.407 124.285 122.820 0.096 0.000 1.917 82 A HA -0.181 4.140 4.320 0.001 0.000 0.219 82 A C 2.330 180.021 177.584 0.178 0.000 1.182 82 A CA 2.106 54.209 52.037 0.111 0.000 0.633 82 A CB -0.578 18.459 19.000 0.062 0.000 0.819 82 A HN 0.245 nan 8.150 nan 0.000 0.448 83 A N 0.637 123.537 122.820 0.133 0.000 1.978 83 A HA -0.198 4.123 4.320 0.001 0.000 0.220 83 A C 1.928 179.555 177.584 0.071 0.000 1.170 83 A CA 1.789 53.890 52.037 0.106 0.000 0.636 83 A CB -0.679 18.375 19.000 0.089 0.000 0.810 83 A HN 0.843 nan 8.150 nan 0.000 0.448 84 E N -1.970 118.273 120.200 0.071 0.000 2.409 84 E HA -0.176 4.174 4.350 0.001 0.000 0.198 84 E C 1.282 177.743 176.600 -0.232 0.000 1.024 84 E CA 1.049 57.404 56.400 -0.074 0.000 0.861 84 E CB -0.388 29.239 29.700 -0.121 0.000 0.788 84 E HN 0.730 nan 8.360 nan 0.000 0.521 85 Y N 0.918 121.199 120.300 -0.032 0.000 2.476 85 Y HA 0.274 4.824 4.550 0.000 0.000 0.283 85 Y C 0.955 176.817 175.900 -0.064 0.000 1.109 85 Y CA -0.104 57.969 58.100 -0.046 0.000 1.246 85 Y CB 0.474 38.904 38.460 -0.050 0.000 1.068 85 Y HN -0.047 nan 8.280 nan 0.000 0.552 86 I N 0.473 121.069 120.570 0.043 0.000 2.337 86 I HA 0.111 4.281 4.170 0.001 0.000 0.291 86 I C 1.104 177.154 176.117 -0.110 0.000 1.046 86 I CA -0.183 61.076 61.300 -0.068 0.000 1.324 86 I CB 1.397 39.326 38.000 -0.119 0.000 1.409 86 I HN 0.086 nan 8.210 nan 0.000 0.494 87 A N 5.091 127.837 122.820 -0.124 0.000 2.016 87 A HA 0.444 4.764 4.320 0.001 0.000 0.217 87 A C 1.123 178.633 177.584 -0.122 0.000 1.162 87 A CA 1.167 53.143 52.037 -0.103 0.000 0.662 87 A CB -0.184 18.772 19.000 -0.074 0.000 0.812 87 A HN 0.908 nan 8.150 nan 0.000 0.450 88 G N -3.078 105.580 108.800 -0.237 0.000 2.333 88 G HA2 0.437 4.397 3.960 0.001 0.000 0.288 88 G HA3 0.437 4.397 3.960 0.001 0.000 0.288 88 G C -1.548 173.079 174.900 -0.456 0.000 1.286 88 G CA -0.653 44.316 45.100 -0.219 0.000 0.865 88 G HN 0.188 nan 8.290 nan 0.000 0.506 89 Y N -0.545 119.797 120.300 0.071 0.000 2.576 89 Y HA 0.791 5.341 4.550 0.001 0.000 0.346 89 Y C 0.409 176.496 175.900 0.311 0.000 1.018 89 Y CA -0.192 58.033 58.100 0.207 0.000 1.050 89 Y CB 2.659 41.317 38.460 0.331 0.000 1.280 89 Y HN 1.068 nan 8.280 nan 0.000 0.474 90 A N 2.076 125.195 122.820 0.498 0.000 2.455 90 A HA 0.693 5.014 4.320 0.001 0.000 0.300 90 A C -1.342 176.397 177.584 0.259 0.000 1.040 90 A CA -0.804 51.475 52.037 0.403 0.000 0.697 90 A CB 0.954 20.086 19.000 0.220 0.000 1.265 90 A HN 0.757 nan 8.150 nan 0.000 0.407 91 L N 1.093 122.401 121.223 0.142 0.000 2.506 91 L HA 0.415 4.756 4.340 0.001 0.000 0.281 91 L C 0.774 177.675 176.870 0.051 0.000 1.228 91 L CA 0.431 55.239 54.840 -0.054 0.000 0.850 91 L CB 0.584 42.597 42.059 -0.075 0.000 1.110 91 L HN 0.947 nan 8.230 nan 0.000 0.496 92 A N 2.501 125.350 122.820 0.048 0.000 2.588 92 A HA 0.673 4.993 4.320 0.001 0.000 0.290 92 A C -1.363 176.277 177.584 0.093 0.000 1.136 92 A CA -0.624 51.465 52.037 0.085 0.000 0.681 92 A CB 1.838 20.903 19.000 0.108 0.000 1.282 92 A HN 0.607 nan 8.150 nan 0.000 0.421 93 N N 0.802 119.561 118.700 0.098 0.000 2.558 93 N HA 0.253 4.994 4.740 0.001 0.000 0.285 93 N C -1.947 173.620 175.510 0.095 0.000 1.112 93 N CA -0.265 52.840 53.050 0.092 0.000 0.857 93 N CB 1.758 40.280 38.487 0.059 0.000 1.376 93 N HN 0.651 nan 8.380 nan 0.000 0.526 94 D N 3.311 123.787 120.400 0.126 0.000 2.545 94 D HA 0.089 4.730 4.640 0.001 0.000 0.227 94 D C -0.165 176.166 176.300 0.051 0.000 1.150 94 D CA -0.051 54.043 54.000 0.158 0.000 1.046 94 D CB -0.016 40.936 40.800 0.254 0.000 1.098 94 D HN 0.144 nan 8.370 nan 0.000 0.502 95 V N 2.262 122.143 119.914 -0.055 0.000 2.740 95 V HA 0.353 4.473 4.120 0.001 0.000 0.303 95 V C 0.655 176.561 176.094 -0.313 0.000 1.054 95 V CA 0.032 62.130 62.300 -0.337 0.000 1.106 95 V CB 1.129 32.547 31.823 -0.676 0.000 0.957 95 V HN 0.551 nan 8.190 nan 0.000 0.486 96 S N 3.301 118.819 115.700 -0.303 0.000 2.552 96 S HA 0.599 5.070 4.470 0.001 0.000 0.272 96 S C -0.978 173.626 174.600 0.007 0.000 1.150 96 S CA -0.774 57.420 58.200 -0.010 0.000 0.849 96 S CB 1.037 64.239 63.200 0.004 0.000 1.113 96 S HN 0.529 nan 8.310 nan 0.000 0.458 97 L N 2.106 123.389 121.223 0.100 0.000 2.490 97 L HA 0.472 4.812 4.340 0.001 0.000 0.245 97 L C -2.087 174.782 176.870 -0.002 0.000 1.185 97 L CA -2.309 52.554 54.840 0.038 0.000 0.813 97 L CB 0.082 42.157 42.059 0.026 0.000 1.233 97 L HN 0.466 nan 8.230 nan 0.000 0.489 98 P HA 0.006 nan 4.420 nan 0.000 0.266 98 P C -1.142 176.146 177.300 -0.020 0.000 1.195 98 P CA 0.090 63.192 63.100 0.005 0.000 0.768 98 P CB 0.311 32.023 31.700 0.021 0.000 0.838 99 E N 2.002 122.195 120.200 -0.012 0.000 1.932 99 E HA 0.022 4.372 4.350 0.001 0.000 0.259 99 E C 0.361 176.972 176.600 0.018 0.000 1.099 99 E CA 0.086 56.408 56.400 -0.131 0.000 0.970 99 E CB -0.067 29.550 29.700 -0.138 0.000 1.143 99 E HN 0.484 nan 8.360 nan 0.000 0.441 100 E N 0.682 120.905 120.200 0.039 0.000 2.385 100 E HA 0.009 4.359 4.350 0.001 0.000 0.194 100 E C 0.495 177.292 176.600 0.329 0.000 1.013 100 E CA 0.161 56.678 56.400 0.195 0.000 0.866 100 E CB 0.612 30.377 29.700 0.109 0.000 0.832 100 E HN 0.112 nan 8.360 nan 0.000 0.500 101 S N -1.000 114.773 115.700 0.123 0.000 2.550 101 S HA 0.407 4.877 4.470 0.001 0.000 0.270 101 S C -1.292 173.250 174.600 -0.097 0.000 1.145 101 S CA -0.696 57.654 58.200 0.250 0.000 0.852 101 S CB 0.708 64.068 63.200 0.266 0.000 1.119 101 S HN 0.059 nan 8.310 nan 0.000 0.465 102 F N 2.568 122.685 119.950 0.279 0.000 2.775 102 F HA 0.361 4.889 4.527 0.001 0.000 0.313 102 F C 0.840 176.818 175.800 0.297 0.000 1.121 102 F CA -0.405 57.627 58.000 0.055 0.000 1.206 102 F CB 0.172 38.969 39.000 -0.338 0.000 1.052 102 F HN 0.740 nan 8.300 nan 0.000 0.524 103 Y N 0.966 121.489 120.300 0.372 0.000 2.134 103 Y HA 0.196 4.746 4.550 0.001 0.000 0.283 103 Y C 1.301 177.303 175.900 0.171 0.000 1.108 103 Y CA 1.421 59.598 58.100 0.128 0.000 1.096 103 Y CB 0.071 38.485 38.460 -0.077 0.000 1.005 103 Y HN -0.330 nan 8.280 nan 0.000 0.487 104 R N 0.806 121.304 120.500 -0.003 0.000 2.549 104 R HA 0.320 4.660 4.340 0.001 0.000 0.267 104 R C -2.562 173.812 176.300 0.123 0.000 1.045 104 R CA -2.900 53.153 56.100 -0.078 0.000 1.115 104 R CB -0.708 29.579 30.300 -0.021 0.000 1.121 104 R HN 0.094 nan 8.270 nan 0.000 0.543 105 P HA 0.002 nan 4.420 nan 0.000 0.264 105 P C -0.619 176.545 177.300 -0.226 0.000 1.183 105 P CA 0.336 63.325 63.100 -0.185 0.000 0.763 105 P CB 0.476 32.164 31.700 -0.020 0.000 0.807 106 A N 4.410 126.922 122.820 -0.513 0.000 3.118 106 A HA 0.110 4.431 4.320 0.001 0.000 0.256 106 A C 1.363 178.811 177.584 -0.228 0.000 1.667 106 A CA -0.122 51.720 52.037 -0.325 0.000 1.338 106 A CB -1.223 17.557 19.000 -0.367 0.000 1.127 106 A HN 0.407 nan 8.150 nan 0.000 0.634 107 I N 0.208 120.701 120.570 -0.129 0.000 2.163 107 I HA -0.179 3.992 4.170 0.001 0.000 0.240 107 I C 2.149 178.190 176.117 -0.126 0.000 1.081 107 I CA 1.493 62.778 61.300 -0.024 0.000 1.353 107 I CB -0.992 37.084 38.000 0.125 0.000 1.054 107 I HN 0.496 nan 8.210 nan 0.000 0.407 108 K N 0.818 120.968 120.400 -0.417 0.000 2.209 108 K HA -0.076 4.244 4.320 0.001 0.000 0.204 108 K C 2.113 178.527 176.600 -0.311 0.000 1.048 108 K CA 1.324 57.187 56.287 -0.706 0.000 0.940 108 K CB -0.071 31.941 32.500 -0.814 0.000 0.729 108 K HN 0.300 nan 8.250 nan 0.000 0.451 109 A N 1.301 124.010 122.820 -0.185 0.000 1.930 109 A HA -0.079 4.241 4.320 0.001 0.000 0.215 109 A C 1.676 179.298 177.584 0.064 0.000 1.176 109 A CA 1.210 53.206 52.037 -0.068 0.000 0.632 109 A CB 0.100 19.042 19.000 -0.097 0.000 0.819 109 A HN 0.128 nan 8.150 nan 0.000 0.445 110 K N -2.030 118.388 120.400 0.031 0.000 2.412 110 K HA 0.169 4.489 4.320 0.001 0.000 0.202 110 K C 0.240 176.962 176.600 0.202 0.000 1.102 110 K CA 0.166 56.556 56.287 0.173 0.000 1.027 110 K CB 0.603 33.125 32.500 0.036 0.000 0.931 110 K HN 0.403 nan 8.250 nan 0.000 0.557 111 C N 1.854 121.207 119.300 0.089 0.000 2.688 111 C HA 0.296 4.757 4.460 0.001 0.000 0.297 111 C C 0.686 175.677 174.990 0.003 0.000 1.308 111 C CA -0.706 58.371 59.018 0.098 0.000 1.726 111 C CB -1.303 26.531 27.740 0.156 0.000 1.982 111 C HN 0.254 nan 8.230 nan 0.000 0.604 112 R N 1.867 122.205 120.500 -0.270 0.000 2.694 112 R HA 0.166 4.506 4.340 0.001 0.000 0.268 112 R C -0.324 175.768 176.300 -0.347 0.000 1.061 112 R CA -0.145 55.637 56.100 -0.530 0.000 1.133 112 R CB 0.355 29.873 30.300 -1.302 0.000 1.020 112 R HN 0.319 nan 8.270 nan 0.000 0.475 113 D N 0.748 121.026 120.400 -0.204 0.000 2.525 113 D HA 0.022 4.663 4.640 0.001 0.000 0.235 113 D C 1.239 177.593 176.300 0.091 0.000 1.137 113 D CA 1.506 55.486 54.000 -0.033 0.000 0.868 113 D CB 0.435 41.223 40.800 -0.020 0.000 1.180 113 D HN 0.765 nan 8.370 nan 0.000 0.465 114 G N 1.564 110.463 108.800 0.164 0.000 2.168 114 G HA2 -0.331 3.630 3.960 0.001 0.000 0.257 114 G HA3 -0.331 3.630 3.960 0.001 0.000 0.257 114 G C 0.597 175.728 174.900 0.384 0.000 0.997 114 G CA -0.211 45.025 45.100 0.227 0.000 0.708 114 G HN 0.418 nan 8.290 nan 0.000 0.520 115 F N -0.253 119.734 119.950 0.062 0.000 2.731 115 F HA 0.430 4.958 4.527 0.001 0.000 0.304 115 F C 1.533 177.383 175.800 0.083 0.000 1.133 115 F CA -0.717 57.321 58.000 0.062 0.000 1.380 115 F CB 0.225 39.258 39.000 0.054 0.000 1.079 115 F HN 0.268 nan 8.300 nan 0.000 0.550 116 C N 2.083 121.518 119.300 0.226 0.000 3.498 116 C HA 0.436 4.897 4.460 0.001 0.000 0.218 116 C C -2.545 172.518 174.990 0.121 0.000 1.284 116 C CA -2.099 57.015 59.018 0.159 0.000 1.343 116 C CB -0.958 26.877 27.740 0.158 0.000 1.825 116 C HN -0.045 nan 8.230 nan 0.000 0.518 117 P HA 0.226 nan 4.420 nan 0.000 0.264 117 P C -0.513 176.840 177.300 0.088 0.000 1.193 117 P CA 0.694 63.847 63.100 0.087 0.000 0.763 117 P CB 0.431 32.174 31.700 0.072 0.000 0.810 118 I N 2.097 122.718 120.570 0.086 0.000 2.569 118 I HA 0.604 4.774 4.170 0.001 0.000 0.290 118 I C 0.427 176.597 176.117 0.088 0.000 1.088 118 I CA -0.571 60.782 61.300 0.089 0.000 1.047 118 I CB 1.935 39.988 38.000 0.089 0.000 1.237 118 I HN 0.411 nan 8.210 nan 0.000 0.421 119 G N 4.687 113.546 108.800 0.099 0.000 2.531 119 G HA2 0.225 4.186 3.960 0.001 0.000 0.253 119 G HA3 0.225 4.186 3.960 0.001 0.000 0.253 119 G C -0.659 174.309 174.900 0.113 0.000 1.439 119 G CA -0.454 44.709 45.100 0.105 0.000 1.056 119 G HN 0.708 nan 8.290 nan 0.000 0.555 120 E N -0.813 119.459 120.200 0.119 0.000 2.331 120 E HA 0.318 4.669 4.350 0.001 0.000 0.272 120 E C -0.321 176.353 176.600 0.123 0.000 1.036 120 E CA -0.352 56.107 56.400 0.099 0.000 0.864 120 E CB 0.531 30.280 29.700 0.081 0.000 1.035 120 E HN 0.235 nan 8.360 nan 0.000 0.408 121 T N 2.692 117.298 114.554 0.087 0.000 2.907 121 T HA 0.323 4.674 4.350 0.001 0.000 0.298 121 T C -0.534 174.186 174.700 0.034 0.000 1.017 121 T CA -0.524 61.623 62.100 0.079 0.000 1.118 121 T CB 1.012 69.905 68.868 0.042 0.000 0.948 121 T HN 0.261 nan 8.240 nan 0.000 0.531 122 V N 1.500 121.415 119.914 0.002 0.000 2.789 122 V HA 0.648 4.769 4.120 0.001 0.000 0.311 122 V C 0.107 176.167 176.094 -0.057 0.000 1.073 122 V CA -1.287 60.965 62.300 -0.080 0.000 0.921 122 V CB 1.944 33.626 31.823 -0.235 0.000 1.009 122 V HN 1.013 nan 8.190 nan 0.000 0.426 123 A N 5.542 128.332 122.820 -0.049 0.000 3.078 123 A HA 0.600 4.921 4.320 0.001 0.000 0.279 123 A C -0.128 177.455 177.584 -0.001 0.000 1.594 123 A CA -0.109 51.918 52.037 -0.017 0.000 1.301 123 A CB -0.725 18.261 19.000 -0.024 0.000 1.162 123 A HN 0.729 nan 8.150 nan 0.000 0.585 124 L N 0.541 121.791 121.223 0.045 0.000 2.399 124 L HA 0.257 4.597 4.340 0.001 0.000 0.266 124 L C 1.872 178.825 176.870 0.139 0.000 1.114 124 L CA -0.264 54.595 54.840 0.032 0.000 0.804 124 L CB 1.580 43.594 42.059 -0.075 0.000 1.146 124 L HN 0.612 nan 8.230 nan 0.000 0.451 125 S N 1.725 117.466 115.700 0.068 0.000 2.402 125 S HA -0.061 4.409 4.470 0.001 0.000 0.229 125 S C 0.399 175.067 174.600 0.114 0.000 1.021 125 S CA 1.253 59.504 58.200 0.085 0.000 0.974 125 S CB -0.241 62.978 63.200 0.033 0.000 0.800 125 S HN 0.928 nan 8.310 nan 0.000 0.484 126 N N -1.664 117.044 118.700 0.014 0.000 3.355 126 N HA 0.250 4.991 4.740 0.001 0.000 0.238 126 N C -0.897 174.436 175.510 -0.295 0.000 1.466 126 N CA -0.275 52.715 53.050 -0.100 0.000 0.882 126 N CB 1.442 39.913 38.487 -0.026 0.000 1.406 126 N HN 0.280 nan 8.380 nan 0.000 0.500 127 V N -3.549 116.156 119.914 -0.348 0.000 2.841 127 V HA 0.508 4.629 4.120 0.001 0.000 0.363 127 V C -0.931 175.079 176.094 -0.140 0.000 1.330 127 V CA -0.704 61.437 62.300 -0.265 0.000 1.207 127 V CB -0.423 31.175 31.823 -0.374 0.000 1.318 127 V HN 0.586 nan 8.190 nan 0.000 0.603 128 D N 2.145 122.489 120.400 -0.093 0.000 2.399 128 D HA 0.165 4.805 4.640 0.001 0.000 0.241 128 D C 0.612 176.881 176.300 -0.053 0.000 1.133 128 D CA 0.731 54.700 54.000 -0.052 0.000 0.890 128 D CB 0.428 41.210 40.800 -0.031 0.000 1.201 128 D HN 0.634 nan 8.370 nan 0.000 0.432 129 N N -0.559 118.115 118.700 -0.044 0.000 2.716 129 N HA -0.252 4.488 4.740 0.001 0.000 0.250 129 N C -0.654 174.814 175.510 -0.070 0.000 1.033 129 N CA 0.076 53.099 53.050 -0.046 0.000 0.727 129 N CB -1.075 37.394 38.487 -0.030 0.000 0.950 129 N HN 0.295 nan 8.380 nan 0.000 0.541 130 L N 0.029 121.185 121.223 -0.111 0.000 2.295 130 L HA 0.485 4.825 4.340 0.001 0.000 0.285 130 L C -0.136 176.584 176.870 -0.250 0.000 1.035 130 L CA -0.119 54.635 54.840 -0.143 0.000 0.806 130 L CB 1.470 43.441 42.059 -0.146 0.000 1.214 130 L HN 0.070 nan 8.230 nan 0.000 0.426 131 T N 6.500 120.911 114.554 -0.238 0.000 2.743 131 T HA 0.497 4.847 4.350 0.001 0.000 0.293 131 T C 0.106 174.487 174.700 -0.531 0.000 0.945 131 T CA -0.035 61.818 62.100 -0.413 0.000 1.030 131 T CB 0.297 68.909 68.868 -0.425 0.000 0.912 131 T HN 0.402 nan 8.240 nan 0.000 0.483 132 I N 4.053 124.181 120.570 -0.737 0.000 2.312 132 I HA 0.339 4.510 4.170 0.001 0.000 0.290 132 I C -0.751 175.096 176.117 -0.449 0.000 1.008 132 I CA -0.829 60.088 61.300 -0.639 0.000 1.226 132 I CB 0.705 38.069 38.000 -1.059 0.000 1.371 132 I HN 0.582 nan 8.210 nan 0.000 0.468 133 Y N 3.759 123.991 120.300 -0.114 0.000 2.420 133 Y HA 0.437 4.987 4.550 0.001 0.000 0.334 133 Y C 0.543 176.461 175.900 0.031 0.000 1.094 133 Y CA -0.626 57.481 58.100 0.012 0.000 1.126 133 Y CB 1.894 40.362 38.460 0.013 0.000 1.217 133 Y HN 0.354 nan 8.280 nan 0.000 0.462 134 T N 2.783 117.479 114.554 0.237 0.000 2.807 134 T HA 0.397 4.748 4.350 0.001 0.000 0.279 134 T C -0.815 173.972 174.700 0.145 0.000 0.993 134 T CA -0.950 61.246 62.100 0.160 0.000 0.970 134 T CB 0.843 69.792 68.868 0.135 0.000 0.950 134 T HN 0.508 nan 8.240 nan 0.000 0.441 135 E N 2.222 122.484 120.200 0.103 0.000 2.212 135 E HA 0.541 4.891 4.350 0.001 0.000 0.268 135 E C -0.816 175.819 176.600 0.058 0.000 0.902 135 E CA -0.687 55.758 56.400 0.075 0.000 0.779 135 E CB 2.151 31.882 29.700 0.050 0.000 1.172 135 E HN 0.485 nan 8.360 nan 0.000 0.409 136 I N 3.264 123.863 120.570 0.049 0.000 2.389 136 I HA 0.182 4.353 4.170 0.001 0.000 0.288 136 I C -0.398 175.737 176.117 0.029 0.000 0.999 136 I CA -0.611 60.712 61.300 0.039 0.000 1.129 136 I CB 1.170 39.193 38.000 0.037 0.000 1.288 136 I HN 0.518 nan 8.210 nan 0.000 0.444 137 N N 5.256 123.971 118.700 0.025 0.000 2.725 137 N HA -0.205 4.536 4.740 0.001 0.000 0.251 137 N C 0.916 176.436 175.510 0.017 0.000 1.031 137 N CA 1.190 54.252 53.050 0.019 0.000 0.720 137 N CB -1.087 37.408 38.487 0.014 0.000 0.930 137 N HN 1.175 nan 8.380 nan 0.000 0.543 138 G N -0.554 108.257 108.800 0.018 0.000 2.184 138 G HA2 -0.390 3.570 3.960 0.001 0.000 0.264 138 G HA3 -0.390 3.570 3.960 0.001 0.000 0.264 138 G C 0.059 174.968 174.900 0.015 0.000 0.975 138 G CA 0.879 45.987 45.100 0.013 0.000 0.642 138 G HN 0.904 nan 8.290 nan 0.000 0.536 139 R N 0.107 120.620 120.500 0.023 0.000 2.589 139 R HA 0.644 4.985 4.340 0.001 0.000 0.293 139 R C -3.011 173.316 176.300 0.044 0.000 0.963 139 R CA -2.111 54.005 56.100 0.028 0.000 0.905 139 R CB 1.732 32.048 30.300 0.025 0.000 1.144 139 R HN 0.012 nan 8.270 nan 0.000 0.459 140 P HA -0.012 nan 4.420 nan 0.000 0.264 140 P C -0.618 176.735 177.300 0.090 0.000 1.183 140 P CA 0.450 63.606 63.100 0.093 0.000 0.763 140 P CB 1.262 33.025 31.700 0.106 0.000 0.807 141 A N 2.208 125.091 122.820 0.106 0.000 2.010 141 A HA 0.291 4.612 4.320 0.001 0.000 0.193 141 A C 0.077 177.697 177.584 0.061 0.000 1.659 141 A CA 0.546 52.626 52.037 0.072 0.000 1.175 141 A CB 0.119 19.157 19.000 0.062 0.000 1.301 141 A HN 0.518 nan 8.150 nan 0.000 0.448 142 D N -1.592 118.867 120.400 0.099 0.000 2.663 142 D HA 0.516 5.156 4.640 0.001 0.000 0.233 142 D C -1.341 175.038 176.300 0.132 0.000 1.240 142 D CA -0.241 53.792 54.000 0.056 0.000 0.774 142 D CB 1.221 42.068 40.800 0.078 0.000 1.443 142 D HN 0.459 nan 8.370 nan 0.000 0.441 143 H N -0.322 118.789 119.070 0.069 0.000 3.046 143 H HA 0.743 5.299 4.556 0.001 0.000 0.361 143 H C -1.370 173.993 175.328 0.058 0.000 1.235 143 H CA -1.011 54.984 56.048 -0.087 0.000 1.146 143 H CB 0.983 30.520 29.762 -0.375 0.000 1.859 143 H HN 0.558 nan 8.280 nan 0.000 0.548 144 W N 1.412 122.705 121.300 -0.011 0.000 3.005 144 W HA 0.525 5.185 4.660 0.001 0.000 0.343 144 W C -1.957 174.566 176.519 0.008 0.000 1.243 144 W CA -0.684 56.677 57.345 0.027 0.000 1.186 144 W CB 1.696 31.142 29.460 -0.023 0.000 1.453 144 W HN 0.744 nan 8.180 nan 0.000 0.575 145 N N 1.086 119.998 118.700 0.352 0.000 2.296 145 N HA 0.160 4.901 4.740 0.001 0.000 0.294 145 N C 1.058 176.677 175.510 0.181 0.000 1.033 145 N CA 0.281 53.369 53.050 0.063 0.000 0.839 145 N CB 2.558 41.080 38.487 0.058 0.000 1.395 145 N HN 0.501 nan 8.380 nan 0.000 0.479 146 T N 0.296 114.811 114.554 -0.065 0.000 2.849 146 T HA -0.133 4.217 4.350 0.001 0.000 0.270 146 T C 1.713 176.459 174.700 0.078 0.000 1.066 146 T CA 1.237 63.377 62.100 0.067 0.000 1.130 146 T CB -0.122 68.715 68.868 -0.051 0.000 0.864 146 T HN 0.480 nan 8.240 nan 0.000 0.481 147 A N 1.933 124.769 122.820 0.028 0.000 2.125 147 A HA -0.065 4.256 4.320 0.001 0.000 0.219 147 A C 1.925 179.500 177.584 -0.014 0.000 1.156 147 A CA 1.380 53.420 52.037 0.005 0.000 0.671 147 A CB -0.488 18.510 19.000 -0.005 0.000 0.794 147 A HN 0.498 nan 8.150 nan 0.000 0.459 148 D N -0.449 119.938 120.400 -0.021 0.000 2.328 148 D HA 0.177 4.818 4.640 0.001 0.000 0.226 148 D C 0.187 176.303 176.300 -0.305 0.000 1.066 148 D CA 0.170 54.052 54.000 -0.196 0.000 0.861 148 D CB 0.045 40.657 40.800 -0.314 0.000 0.912 148 D HN 0.392 nan 8.370 nan 0.000 0.521 149 L N 0.902 122.067 121.223 -0.097 0.000 2.375 149 L HA 0.164 4.505 4.340 0.001 0.000 0.271 149 L C 1.902 178.733 176.870 -0.064 0.000 1.107 149 L CA -0.303 54.504 54.840 -0.055 0.000 0.806 149 L CB 1.474 43.583 42.059 0.083 0.000 1.146 149 L HN -0.177 nan 8.230 nan 0.000 0.447 150 Q N 2.062 121.817 119.800 -0.076 0.000 1.990 150 Q HA -0.005 4.335 4.340 0.001 0.000 0.200 150 Q C 0.333 176.302 176.000 -0.051 0.000 0.980 150 Q CA 1.204 56.962 55.803 -0.074 0.000 0.832 150 Q CB 0.336 29.014 28.738 -0.099 0.000 0.897 150 Q HN 0.510 nan 8.270 nan 0.000 0.427 151 R N 1.976 122.447 120.500 -0.049 0.000 2.312 151 R HA 0.162 4.503 4.340 0.001 0.000 0.311 151 R C -0.425 175.885 176.300 0.016 0.000 1.004 151 R CA -0.475 55.611 56.100 -0.025 0.000 0.902 151 R CB 0.872 31.144 30.300 -0.047 0.000 1.073 151 R HN 0.399 nan 8.270 nan 0.000 0.457 152 N N 1.821 120.539 118.700 0.029 0.000 2.405 152 N HA 0.131 4.871 4.740 0.001 0.000 0.269 152 N C 0.750 176.313 175.510 0.088 0.000 1.249 152 N CA -0.175 52.908 53.050 0.055 0.000 0.974 152 N CB 0.321 38.833 38.487 0.042 0.000 1.204 152 N HN 0.448 nan 8.380 nan 0.000 0.565 153 A N -0.006 122.886 122.820 0.121 0.000 1.892 153 A HA -0.104 4.217 4.320 0.001 0.000 0.218 153 A C 2.207 179.873 177.584 0.137 0.000 1.188 153 A CA 2.831 54.972 52.037 0.175 0.000 0.631 153 A CB -1.657 17.517 19.000 0.290 0.000 0.822 153 A HN 0.914 nan 8.150 nan 0.000 0.447 154 A N -1.067 121.819 122.820 0.110 0.000 1.902 154 A HA -0.234 4.087 4.320 0.001 0.000 0.217 154 A C 2.131 179.745 177.584 0.050 0.000 1.181 154 A CA 1.782 53.863 52.037 0.074 0.000 0.623 154 A CB -0.602 18.435 19.000 0.063 0.000 0.818 154 A HN 0.672 nan 8.150 nan 0.000 0.443 155 Q N -0.596 119.235 119.800 0.052 0.000 2.124 155 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 155 Q C 2.076 178.123 176.000 0.077 0.000 0.977 155 Q CA 1.394 57.224 55.803 0.043 0.000 0.850 155 Q CB -0.282 28.474 28.738 0.029 0.000 0.901 155 Q HN 0.696 nan 8.270 nan 0.000 0.429 156 L N -0.109 121.184 121.223 0.116 0.000 2.056 156 L HA -0.176 4.164 4.340 0.001 0.000 0.207 156 L C 2.301 179.272 176.870 0.168 0.000 1.078 156 L CA 0.383 55.367 54.840 0.240 0.000 0.749 156 L CB -0.416 41.800 42.059 0.263 0.000 0.901 156 L HN 0.276 nan 8.230 nan 0.000 0.433 157 L N -0.583 120.672 121.223 0.053 0.000 2.012 157 L HA -0.224 4.117 4.340 0.001 0.000 0.210 157 L C 2.694 179.485 176.870 -0.132 0.000 1.073 157 L CA 1.988 56.787 54.840 -0.068 0.000 0.748 157 L CB -0.797 41.235 42.059 -0.045 0.000 0.891 157 L HN 0.158 nan 8.230 nan 0.000 0.431 158 S N -0.989 114.667 115.700 -0.074 0.000 2.356 158 S HA -0.148 4.323 4.470 0.001 0.000 0.223 158 S C 2.128 176.678 174.600 -0.083 0.000 1.032 158 S CA 1.240 59.382 58.200 -0.096 0.000 1.005 158 S CB -0.452 62.718 63.200 -0.051 0.000 0.867 158 S HN 0.670 nan 8.310 nan 0.000 0.449 159 A N 1.110 123.939 122.820 0.015 0.000 1.902 159 A HA 0.001 4.322 4.320 0.001 0.000 0.217 159 A C 2.131 179.706 177.584 -0.015 0.000 1.181 159 A CA 1.606 53.710 52.037 0.111 0.000 0.623 159 A CB -0.809 18.367 19.000 0.293 0.000 0.818 159 A HN 0.537 nan 8.150 nan 0.000 0.443 160 L N 0.721 121.791 121.223 -0.255 0.000 2.044 160 L HA -0.067 4.274 4.340 0.001 0.000 0.205 160 L C 2.694 178.952 176.870 -1.020 0.000 1.075 160 L CA 2.705 56.949 54.840 -0.993 0.000 0.747 160 L CB -0.744 40.526 42.059 -1.314 0.000 0.903 160 L HN 0.487 nan 8.230 nan 0.000 0.435 161 S N -1.664 113.667 115.700 -0.615 0.000 2.507 161 S HA -0.158 4.313 4.470 0.001 0.000 0.235 161 S C 1.843 176.220 174.600 -0.372 0.000 0.988 161 S CA 0.736 58.643 58.200 -0.488 0.000 0.944 161 S CB -0.659 62.321 63.200 -0.367 0.000 0.762 161 S HN 0.565 nan 8.310 nan 0.000 0.526 162 E N 1.399 121.411 120.200 -0.315 0.000 2.160 162 E HA -0.160 4.190 4.350 0.001 0.000 0.195 162 E C 1.198 177.784 176.600 -0.024 0.000 0.991 162 E CA 1.475 57.801 56.400 -0.122 0.000 0.810 162 E CB -0.093 29.605 29.700 -0.004 0.000 0.742 162 E HN 0.897 nan 8.360 nan 0.000 0.466 163 F N -2.389 117.473 119.950 -0.148 0.000 2.876 163 F HA 0.547 5.074 4.527 0.000 0.000 0.344 163 F C 0.193 175.917 175.800 -0.127 0.000 1.029 163 F CA -0.292 57.641 58.000 -0.112 0.000 1.154 163 F CB 0.117 39.065 39.000 -0.087 0.000 1.040 163 F HN -0.010 nan 8.300 nan 0.000 0.576 164 A N 1.343 123.798 122.820 -0.607 0.000 2.332 164 A HA 0.626 4.946 4.320 0.001 0.000 0.300 164 A C -0.346 176.983 177.584 -0.425 0.000 1.153 164 A CA -0.467 51.293 52.037 -0.462 0.000 0.764 164 A CB 0.283 18.827 19.000 -0.759 0.000 1.174 164 A HN 0.145 nan 8.150 nan 0.000 0.467 165 T N 3.451 117.871 114.554 -0.222 0.000 2.834 165 T HA 0.389 4.739 4.350 0.001 0.000 0.298 165 T C 0.029 174.643 174.700 -0.143 0.000 0.966 165 T CA 0.629 62.632 62.100 -0.161 0.000 1.141 165 T CB -0.228 68.595 68.868 -0.075 0.000 0.905 165 T HN 0.438 nan 8.240 nan 0.000 0.535 166 L N 4.622 125.755 121.223 -0.150 0.000 2.317 166 L HA 0.475 4.815 4.340 0.001 0.000 0.281 166 L C 0.510 177.371 176.870 -0.016 0.000 1.024 166 L CA -0.996 53.791 54.840 -0.087 0.000 0.810 166 L CB 1.139 43.100 42.059 -0.164 0.000 1.240 166 L HN 0.546 nan 8.230 nan 0.000 0.427 167 N N 2.442 121.155 118.700 0.023 0.000 2.477 167 N HA 0.441 5.181 4.740 0.001 0.000 0.284 167 N C -2.576 172.950 175.510 0.027 0.000 1.182 167 N CA -1.686 51.379 53.050 0.025 0.000 0.949 167 N CB 1.114 39.617 38.487 0.027 0.000 1.204 167 N HN 0.208 nan 8.380 nan 0.000 0.526 168 P HA 0.059 nan 4.420 nan 0.000 0.264 168 P C 0.842 178.151 177.300 0.016 0.000 1.183 168 P CA 0.868 63.975 63.100 0.012 0.000 0.763 168 P CB 0.307 32.009 31.700 0.002 0.000 0.807 169 G N 2.099 110.907 108.800 0.014 0.000 2.284 169 G HA2 -0.198 3.763 3.960 0.001 0.000 0.230 169 G HA3 -0.198 3.763 3.960 0.001 0.000 0.230 169 G C 0.117 175.035 174.900 0.030 0.000 1.021 169 G CA -0.239 44.873 45.100 0.020 0.000 0.619 169 G HN 0.499 nan 8.290 nan 0.000 0.510 170 D N 1.391 121.818 120.400 0.044 0.000 2.390 170 D HA 0.578 5.218 4.640 0.001 0.000 0.236 170 D C 0.670 177.019 176.300 0.082 0.000 1.189 170 D CA 1.299 55.346 54.000 0.078 0.000 0.887 170 D CB 1.150 42.040 40.800 0.150 0.000 1.198 170 D HN 1.023 nan 8.370 nan 0.000 0.444 171 A N 1.027 123.916 122.820 0.115 0.000 2.454 171 A HA 0.734 5.054 4.320 0.001 0.000 0.302 171 A C -0.858 176.830 177.584 0.173 0.000 1.079 171 A CA -0.684 51.417 52.037 0.107 0.000 0.731 171 A CB 1.232 20.279 19.000 0.079 0.000 1.299 171 A HN 0.463 nan 8.150 nan 0.000 0.413 172 I N 1.979 122.636 120.570 0.144 0.000 2.447 172 I HA 0.291 4.462 4.170 0.001 0.000 0.287 172 I C -0.756 175.464 176.117 0.172 0.000 1.023 172 I CA -0.413 60.993 61.300 0.178 0.000 1.083 172 I CB 1.689 39.787 38.000 0.164 0.000 1.245 172 I HN 0.476 nan 8.210 nan 0.000 0.434 173 L N 6.191 127.502 121.223 0.147 0.000 2.331 173 L HA 0.291 4.631 4.340 0.001 0.000 0.278 173 L C 1.065 178.046 176.870 0.184 0.000 1.106 173 L CA -0.365 54.566 54.840 0.152 0.000 0.824 173 L CB 1.138 43.262 42.059 0.108 0.000 1.142 173 L HN 0.663 nan 8.230 nan 0.000 0.443 174 L N 2.831 124.187 121.223 0.221 0.000 2.492 174 L HA 0.201 4.541 4.340 0.001 0.000 0.223 174 L C 0.944 177.951 176.870 0.229 0.000 1.132 174 L CA 0.371 55.348 54.840 0.229 0.000 0.850 174 L CB -0.163 42.039 42.059 0.239 0.000 0.966 174 L HN 0.956 nan 8.230 nan 0.000 0.454 175 G N -0.466 108.478 108.800 0.240 0.000 2.355 175 G HA2 0.086 4.047 3.960 0.001 0.000 0.619 175 G HA3 0.086 4.047 3.960 0.001 0.000 0.619 175 G C -0.711 174.225 174.900 0.061 0.000 1.337 175 G CA -0.420 44.778 45.100 0.163 0.000 0.993 175 G HN 0.006 nan 8.290 nan 0.000 0.599 176 T N -1.116 113.326 114.554 -0.188 0.000 2.865 176 T HA 0.892 5.242 4.350 0.001 0.000 0.294 176 T C -3.048 171.164 174.700 -0.814 0.000 1.119 176 T CA -1.339 60.406 62.100 -0.592 0.000 1.007 176 T CB 3.016 71.735 68.868 -0.248 0.000 1.225 176 T HN 0.686 nan 8.240 nan 0.000 0.515 177 P HA 0.275 nan 4.420 nan 0.000 0.278 177 P C 0.273 177.264 177.300 -0.516 0.000 1.266 177 P CA -0.393 61.991 63.100 -1.193 0.000 0.807 177 P CB 1.399 32.255 31.700 -1.407 0.000 1.094 178 Q N 1.431 121.035 119.800 -0.326 0.000 2.079 178 Q HA -0.025 4.315 4.340 0.001 0.000 0.200 178 Q C 0.540 176.490 176.000 -0.083 0.000 0.974 178 Q CA 1.264 57.014 55.803 -0.089 0.000 0.840 178 Q CB -1.014 27.730 28.738 0.010 0.000 0.898 178 Q HN 0.563 nan 8.270 nan 0.000 0.430 179 A N 0.948 123.682 122.820 -0.144 0.000 2.309 179 A HA 0.565 4.886 4.320 0.001 0.000 0.290 179 A C -0.670 176.842 177.584 -0.120 0.000 1.206 179 A CA -0.384 51.590 52.037 -0.104 0.000 0.850 179 A CB 0.316 19.259 19.000 -0.095 0.000 1.118 179 A HN 0.378 nan 8.150 nan 0.000 0.523 180 R N 0.811 121.271 120.500 -0.067 0.000 2.795 180 R HA 0.573 4.913 4.340 0.001 0.000 0.275 180 R C -0.874 175.415 176.300 -0.019 0.000 0.981 180 R CA -0.874 55.196 56.100 -0.050 0.000 0.917 180 R CB 2.256 32.530 30.300 -0.043 0.000 1.202 180 R HN 0.643 nan 8.270 nan 0.000 0.469 181 V N -1.110 118.803 119.914 -0.002 0.000 2.509 181 V HA 0.383 4.503 4.120 0.001 0.000 0.284 181 V C 0.135 176.240 176.094 0.018 0.000 1.047 181 V CA -0.652 61.655 62.300 0.013 0.000 0.952 181 V CB 1.374 33.213 31.823 0.027 0.000 0.988 181 V HN 0.790 nan 8.190 nan 0.000 0.469 182 E N 4.244 124.461 120.200 0.028 0.000 2.331 182 E HA 0.583 4.933 4.350 0.001 0.000 0.272 182 E C -0.497 176.142 176.600 0.065 0.000 1.036 182 E CA -0.693 55.735 56.400 0.047 0.000 0.864 182 E CB 1.285 31.017 29.700 0.054 0.000 1.035 182 E HN 0.862 nan 8.360 nan 0.000 0.408 183 I N -0.221 120.414 120.570 0.107 0.000 2.957 183 I HA 0.559 4.730 4.170 0.001 0.000 0.310 183 I C -0.731 175.510 176.117 0.207 0.000 1.063 183 I CA -1.067 60.307 61.300 0.124 0.000 1.033 183 I CB 2.028 40.092 38.000 0.108 0.000 1.230 183 I HN 0.403 nan 8.210 nan 0.000 0.447 184 Q N 1.143 120.990 119.800 0.079 0.000 2.511 184 Q HA 0.506 4.846 4.340 0.001 0.000 0.289 184 Q C -2.815 173.056 176.000 -0.216 0.000 1.021 184 Q CA -1.714 53.987 55.803 -0.169 0.000 0.785 184 Q CB 2.323 30.954 28.738 -0.178 0.000 1.472 184 Q HN 0.425 nan 8.270 nan 0.000 0.411 185 P HA 0.047 nan 4.420 nan 0.000 0.264 185 P C 0.681 177.911 177.300 -0.117 0.000 1.183 185 P CA 1.612 64.573 63.100 -0.231 0.000 0.763 185 P CB 0.280 31.802 31.700 -0.298 0.000 0.807 186 G N 1.866 110.639 108.800 -0.045 0.000 2.258 186 G HA2 -0.195 3.765 3.960 0.001 0.000 0.233 186 G HA3 -0.195 3.765 3.960 0.001 0.000 0.233 186 G C -0.000 174.895 174.900 -0.007 0.000 1.006 186 G CA -0.247 44.838 45.100 -0.025 0.000 0.620 186 G HN 0.510 nan 8.290 nan 0.000 0.511 187 D N 1.094 121.492 120.400 -0.003 0.000 2.414 187 D HA 0.446 5.087 4.640 0.001 0.000 0.242 187 D C 0.847 177.164 176.300 0.027 0.000 1.129 187 D CA 0.273 54.282 54.000 0.014 0.000 0.885 187 D CB 0.438 41.252 40.800 0.025 0.000 1.198 187 D HN 0.311 nan 8.370 nan 0.000 0.437 188 R N 1.454 121.970 120.500 0.026 0.000 2.310 188 R HA 0.386 4.726 4.340 0.001 0.000 0.324 188 R C -1.016 175.305 176.300 0.035 0.000 0.955 188 R CA -0.755 55.364 56.100 0.031 0.000 0.830 188 R CB 1.397 31.713 30.300 0.026 0.000 1.154 188 R HN 0.152 nan 8.270 nan 0.000 0.458 189 V N 4.491 124.429 119.914 0.040 0.000 2.350 189 V HA 0.375 4.496 4.120 0.001 0.000 0.276 189 V C 0.247 176.369 176.094 0.046 0.000 1.028 189 V CA -0.634 61.692 62.300 0.044 0.000 0.860 189 V CB 1.351 33.199 31.823 0.042 0.000 0.990 189 V HN 0.591 nan 8.190 nan 0.000 0.453 190 R N 3.641 124.170 120.500 0.049 0.000 2.494 190 R HA 0.761 5.101 4.340 0.001 0.000 0.305 190 R C -1.542 174.795 176.300 0.060 0.000 0.959 190 R CA -0.436 55.693 56.100 0.049 0.000 0.864 190 R CB 1.993 32.316 30.300 0.040 0.000 1.159 190 R HN 0.536 nan 8.270 nan 0.000 0.446 191 V N 6.134 126.081 119.914 0.055 0.000 2.459 191 V HA 0.524 4.644 4.120 0.001 0.000 0.295 191 V C -0.890 175.229 176.094 0.042 0.000 1.029 191 V CA -0.735 61.597 62.300 0.053 0.000 0.874 191 V CB 1.596 33.439 31.823 0.033 0.000 0.985 191 V HN 0.581 nan 8.190 nan 0.000 0.438 192 L N 3.685 124.945 121.223 0.061 0.000 2.409 192 L HA 1.018 5.358 4.340 0.001 0.000 0.262 192 L C -0.234 176.689 176.870 0.088 0.000 0.992 192 L CA -0.469 54.408 54.840 0.063 0.000 0.817 192 L CB 2.086 44.165 42.059 0.034 0.000 1.350 192 L HN 0.818 nan 8.230 nan 0.000 0.411 193 A N 0.503 123.366 122.820 0.073 0.000 2.605 193 A HA 0.680 5.001 4.320 0.001 0.000 0.294 193 A C -1.232 176.489 177.584 0.228 0.000 1.062 193 A CA -0.605 51.490 52.037 0.096 0.000 0.682 193 A CB 1.362 20.251 19.000 -0.185 0.000 1.278 193 A HN 0.634 nan 8.150 nan 0.000 0.410 194 E N 0.320 120.638 120.200 0.198 0.000 2.465 194 E HA 0.399 4.749 4.350 0.001 0.000 0.260 194 E C 1.305 178.037 176.600 0.221 0.000 0.980 194 E CA 2.104 58.600 56.400 0.162 0.000 0.927 194 E CB 0.268 30.026 29.700 0.096 0.000 0.934 194 E HN 2.103 nan 8.360 nan 0.000 0.459 195 G N 3.162 112.031 108.800 0.115 0.000 2.195 195 G HA2 -0.264 3.697 3.960 0.001 0.000 0.246 195 G HA3 -0.264 3.697 3.960 0.001 0.000 0.246 195 G C -0.093 174.727 174.900 -0.133 0.000 0.984 195 G CA 0.031 45.113 45.100 -0.031 0.000 0.633 195 G HN 0.388 nan 8.290 nan 0.000 0.525 196 F N 1.646 121.604 119.950 0.014 0.000 2.480 196 F HA 0.618 5.145 4.527 0.001 0.000 0.329 196 F C -1.972 173.842 175.800 0.023 0.000 1.091 196 F CA -2.562 55.454 58.000 0.026 0.000 0.972 196 F CB 1.681 40.699 39.000 0.031 0.000 1.150 196 F HN -0.195 nan 8.300 nan 0.000 0.467 197 P HA 0.209 nan 4.420 nan 0.000 0.271 197 P C -2.593 174.797 177.300 0.150 0.000 1.220 197 P CA -1.098 62.082 63.100 0.134 0.000 0.768 197 P CB 0.014 31.776 31.700 0.104 0.000 0.848 198 P HA 0.054 nan 4.420 nan 0.000 0.266 198 P C -0.794 176.550 177.300 0.073 0.000 1.195 198 P CA 0.011 63.158 63.100 0.080 0.000 0.768 198 P CB 0.304 32.036 31.700 0.052 0.000 0.838 199 L N 2.726 123.987 121.223 0.064 0.000 2.305 199 L HA 0.524 4.865 4.340 0.001 0.000 0.284 199 L C -0.367 176.534 176.870 0.052 0.000 1.013 199 L CA -0.181 54.695 54.840 0.060 0.000 0.819 199 L CB 0.922 43.017 42.059 0.060 0.000 1.227 199 L HN 0.340 nan 8.230 nan 0.000 0.417 200 E N 3.495 123.724 120.200 0.049 0.000 2.292 200 E HA 0.528 4.878 4.350 0.001 0.000 0.272 200 E C -1.598 175.029 176.600 0.045 0.000 0.881 200 E CA -0.656 55.771 56.400 0.044 0.000 0.754 200 E CB 1.429 31.152 29.700 0.039 0.000 1.201 200 E HN 0.798 nan 8.360 nan 0.000 0.425 201 N N 4.003 122.730 118.700 0.045 0.000 2.310 201 N HA 0.398 5.138 4.740 0.001 0.000 0.292 201 N C -2.809 172.730 175.510 0.048 0.000 1.049 201 N CA -1.350 51.729 53.050 0.048 0.000 0.849 201 N CB 2.210 40.729 38.487 0.053 0.000 1.532 201 N HN 0.260 nan 8.380 nan 0.000 0.479 202 P HA 0.150 nan 4.420 nan 0.000 0.278 202 P C -0.778 176.561 177.300 0.066 0.000 1.238 202 P CA -0.318 62.810 63.100 0.048 0.000 0.794 202 P CB 1.004 32.728 31.700 0.041 0.000 0.955 203 V N 3.376 123.333 119.914 0.071 0.000 2.427 203 V HA 0.331 4.451 4.120 0.001 0.000 0.286 203 V C 0.375 176.527 176.094 0.095 0.000 1.034 203 V CA -0.466 61.902 62.300 0.112 0.000 0.893 203 V CB 1.704 33.608 31.823 0.134 0.000 0.982 203 V HN 0.289 nan 8.190 nan 0.000 0.452 204 V N 3.390 123.383 119.914 0.132 0.000 2.638 204 V HA 0.330 4.450 4.120 0.001 0.000 0.306 204 V C -0.210 175.970 176.094 0.143 0.000 1.052 204 V CA -0.821 61.538 62.300 0.097 0.000 0.885 204 V CB 2.088 33.960 31.823 0.081 0.000 0.999 204 V HN 0.933 nan 8.190 nan 0.000 0.424 205 D N 3.497 123.950 120.400 0.088 0.000 2.586 205 D HA -0.083 4.557 4.640 0.001 0.000 0.234 205 D C 1.476 177.856 176.300 0.133 0.000 1.132 205 D CA 0.679 54.749 54.000 0.117 0.000 0.860 205 D CB 1.077 41.903 40.800 0.042 0.000 1.159 205 D HN 0.874 nan 8.370 nan 0.000 0.490 206 E N 3.967 124.272 120.200 0.174 0.000 2.219 206 E HA -0.259 4.092 4.350 0.001 0.000 0.198 206 E C 1.271 177.914 176.600 0.072 0.000 0.998 206 E CA 0.899 57.370 56.400 0.118 0.000 0.818 206 E CB -0.092 29.671 29.700 0.104 0.000 0.741 206 E HN 0.472 nan 8.360 nan 0.000 0.477 207 R N 0.305 120.845 120.500 0.067 0.000 2.237 207 R HA -0.039 4.301 4.340 0.001 0.000 0.219 207 R C 1.654 177.975 176.300 0.034 0.000 1.080 207 R CA 1.262 57.387 56.100 0.042 0.000 0.995 207 R CB 0.144 30.466 30.300 0.037 0.000 0.875 207 R HN 0.182 nan 8.270 nan 0.000 0.462 208 E N -0.243 119.981 120.200 0.040 0.000 2.474 208 E HA 0.085 4.436 4.350 0.001 0.000 0.195 208 E C 0.143 176.761 176.600 0.031 0.000 1.039 208 E CA 0.073 56.491 56.400 0.031 0.000 0.881 208 E CB 0.899 30.617 29.700 0.029 0.000 0.970 208 E HN 0.008 nan 8.360 nan 0.000 0.486 209 V N 3.459 123.395 119.914 0.038 0.000 2.320 209 V HA 0.230 4.350 4.120 0.001 0.000 0.265 209 V C 0.887 176.995 176.094 0.022 0.000 1.048 209 V CA -0.170 62.150 62.300 0.034 0.000 0.865 209 V CB 0.344 32.196 31.823 0.048 0.000 1.043 209 V HN 0.461 nan 8.190 nan 0.000 0.474 210 T N 1.396 115.959 114.554 0.015 0.000 3.225 210 T HA 0.173 4.523 4.350 0.001 0.000 0.347 210 T C 1.494 176.195 174.700 0.002 0.000 1.254 210 T CA 0.501 62.606 62.100 0.008 0.000 0.950 210 T CB 0.054 68.925 68.868 0.006 0.000 1.873 210 T HN 0.543 nan 8.240 nan 0.000 0.563 211 T N 0.662 115.215 114.554 -0.002 0.000 10.929 211 T HA -0.350 4.000 4.350 0.001 0.000 0.409 211 T C 0.563 175.254 174.700 -0.016 0.000 1.444 211 T CA 2.648 64.742 62.100 -0.010 0.000 2.382 211 T CB -1.347 67.512 68.868 -0.016 0.000 2.863 211 T HN 0.993 nan 8.240 nan 0.000 1.016 212 R N 0.450 120.937 120.500 -0.021 0.000 1.008 212 R HA -0.080 4.260 4.340 0.001 0.000 0.429 212 R C -0.461 175.796 176.300 -0.073 0.000 1.364 212 R CA 0.321 56.404 56.100 -0.028 0.000 1.225 212 R CB -0.260 30.033 30.300 -0.011 0.000 3.501 212 R HN 0.528 nan 8.270 nan 0.000 0.510 213 K N 2.352 122.679 120.400 -0.122 0.000 2.437 213 K HA 0.029 4.349 4.320 0.001 0.000 0.277 213 K C 0.034 176.376 176.600 -0.431 0.000 1.073 213 K CA 0.758 56.855 56.287 -0.316 0.000 1.105 213 K CB 0.334 32.575 32.500 -0.431 0.000 0.881 213 K HN 0.482 nan 8.250 nan 0.000 0.475 214 S N 3.445 118.918 115.700 -0.379 0.000 2.565 214 S HA 0.567 5.037 4.470 0.001 0.000 0.290 214 S C -0.494 173.875 174.600 -0.385 0.000 1.150 214 S CA -0.868 57.186 58.200 -0.244 0.000 1.058 214 S CB 0.796 63.952 63.200 -0.073 0.000 1.032 214 S HN 0.343 nan 8.310 nan 0.000 0.510 215 F N 0.432 120.404 119.950 0.037 0.000 2.561 215 F HA 0.572 5.099 4.527 0.001 0.000 0.321 215 F C -2.245 173.585 175.800 0.050 0.000 1.065 215 F CA -2.219 55.810 58.000 0.048 0.000 0.934 215 F CB 0.833 39.873 39.000 0.067 0.000 1.215 215 F HN 0.400 nan 8.300 nan 0.000 0.471 216 P HA 0.144 nan 4.420 nan 0.000 0.265 216 P C -0.553 176.831 177.300 0.140 0.000 1.193 216 P CA -0.289 62.891 63.100 0.133 0.000 0.765 216 P CB 0.346 32.102 31.700 0.093 0.000 0.823 217 T N 1.117 115.724 114.554 0.089 0.000 2.889 217 T HA 0.609 4.959 4.350 0.001 0.000 0.291 217 T C -0.107 174.595 174.700 0.003 0.000 0.995 217 T CA -0.735 61.413 62.100 0.080 0.000 1.092 217 T CB 0.510 69.419 68.868 0.068 0.000 0.954 217 T HN 0.162 nan 8.240 nan 0.000 0.506 218 L N 1.981 123.192 121.223 -0.021 0.000 2.327 218 L HA 0.544 4.884 4.340 0.001 0.000 0.258 218 L C -2.247 174.626 176.870 0.006 0.000 1.024 218 L CA -2.792 51.985 54.840 -0.104 0.000 0.825 218 L CB 2.138 43.966 42.059 -0.384 0.000 1.386 218 L HN 0.501 nan 8.230 nan 0.000 0.417 219 P HA 0.017 nan 4.420 nan 0.000 0.266 219 P C -0.790 176.569 177.300 0.100 0.000 1.195 219 P CA -0.000 63.133 63.100 0.055 0.000 0.768 219 P CB 0.208 31.925 31.700 0.028 0.000 0.838 220 H N 3.796 122.892 119.070 0.042 0.000 2.897 220 H HA 0.184 4.740 4.556 0.001 0.000 0.347 220 H C -2.015 173.340 175.328 0.046 0.000 1.068 220 H CA -1.060 55.018 56.048 0.050 0.000 1.426 220 H CB -0.093 29.688 29.762 0.032 0.000 1.410 220 H HN 0.255 nan 8.280 nan 0.000 0.597 221 P HA 0.205 nan 4.420 nan 0.000 0.292 221 P C -1.464 175.791 177.300 -0.074 0.000 1.287 221 P CA -0.205 62.543 63.100 -0.587 0.000 0.800 221 P CB 0.794 32.152 31.700 -0.569 0.000 0.945 222 H N 0.899 119.932 119.070 -0.061 0.000 3.287 222 H HA 0.581 5.137 4.556 0.001 0.000 0.330 222 H C -0.607 174.694 175.328 -0.044 0.000 1.064 222 H CA -0.003 56.012 56.048 -0.054 0.000 1.544 222 H CB 0.452 30.192 29.762 -0.037 0.000 1.918 222 H HN 0.794 nan 8.280 nan 0.000 0.477 223 G N 1.626 110.159 108.800 -0.445 0.000 2.320 223 G HA2 0.217 4.178 3.960 0.001 0.000 0.297 223 G HA3 0.217 4.178 3.960 0.001 0.000 0.297 223 G C -1.095 173.615 174.900 -0.317 0.000 1.344 223 G CA -0.579 44.306 45.100 -0.359 0.000 0.851 223 G HN 0.475 nan 8.290 nan 0.000 0.567 224 T N 0.506 114.879 114.554 -0.302 0.000 2.916 224 T HA 0.368 4.718 4.350 0.001 0.000 0.303 224 T C -0.030 174.468 174.700 -0.336 0.000 1.025 224 T CA 0.338 62.203 62.100 -0.393 0.000 1.142 224 T CB 0.964 69.525 68.868 -0.512 0.000 0.947 224 T HN 0.739 nan 8.240 nan 0.000 0.544 225 L N 5.461 126.470 121.223 -0.357 0.000 2.283 225 L HA 0.507 4.847 4.340 0.001 0.000 0.281 225 L C -1.238 175.461 176.870 -0.284 0.000 1.033 225 L CA -0.646 54.070 54.840 -0.207 0.000 0.848 225 L CB -0.628 41.361 42.059 -0.116 0.000 1.226 225 L HN 0.459 nan 8.230 nan 0.000 0.429 226 F N 3.733 123.618 119.950 -0.107 0.000 2.384 226 F HA 0.722 5.250 4.527 0.001 0.000 0.338 226 F C 0.760 176.417 175.800 -0.239 0.000 1.103 226 F CA -0.058 57.851 58.000 -0.151 0.000 1.157 226 F CB 1.414 40.361 39.000 -0.089 0.000 1.167 226 F HN 0.606 nan 8.300 nan 0.000 0.529 227 A N 3.709 126.359 122.820 -0.283 0.000 2.449 227 A HA 0.737 5.057 4.320 0.001 0.000 0.302 227 A C -1.598 175.716 177.584 -0.449 0.000 1.048 227 A CA -0.703 51.033 52.037 -0.501 0.000 0.708 227 A CB 1.320 19.730 19.000 -0.982 0.000 1.274 227 A HN 0.607 nan 8.150 nan 0.000 0.410 228 L N 1.933 123.100 121.223 -0.093 0.000 2.322 228 L HA 0.629 4.969 4.340 0.001 0.000 0.279 228 L C 0.845 177.873 176.870 0.263 0.000 1.036 228 L CA 0.071 54.968 54.840 0.095 0.000 0.807 228 L CB 1.254 43.393 42.059 0.133 0.000 1.226 228 L HN 0.934 nan 8.230 nan 0.000 0.433 229 G N 2.479 111.479 108.800 0.333 0.000 2.389 229 G HA2 0.524 4.484 3.960 0.001 0.000 0.328 229 G HA3 0.524 4.484 3.960 0.001 0.000 0.328 229 G C -0.206 174.839 174.900 0.242 0.000 1.133 229 G CA -0.723 44.575 45.100 0.329 0.000 0.891 229 G HN 0.662 nan 8.290 nan 0.000 0.485 230 L N 0.349 121.702 121.223 0.216 0.000 3.642 230 L HA -0.226 4.114 4.340 0.001 0.000 0.613 230 L C 0.464 177.458 176.870 0.206 0.000 1.064 230 L CA 0.089 55.044 54.840 0.192 0.000 1.039 230 L CB -0.717 41.436 42.059 0.156 0.000 1.226 230 L HN 0.656 nan 8.230 nan 0.000 0.764 231 N N 0.389 119.236 118.700 0.246 0.000 2.307 231 N HA 0.222 4.962 4.740 0.001 0.000 0.248 231 N C -1.170 174.354 175.510 0.022 0.000 1.322 231 N CA -0.161 52.983 53.050 0.157 0.000 0.861 231 N CB 0.534 39.130 38.487 0.182 0.000 1.303 231 N HN 0.387 nan 8.380 nan 0.000 0.498 232 Y N 0.030 120.353 120.300 0.038 0.000 2.350 232 Y HA 0.566 5.117 4.550 0.001 0.000 0.338 232 Y C 1.059 176.968 175.900 0.015 0.000 0.961 232 Y CA -0.715 57.399 58.100 0.022 0.000 1.100 232 Y CB 1.798 40.283 38.460 0.041 0.000 1.179 232 Y HN 0.051 nan 8.280 nan 0.000 0.454 233 A N 2.146 124.983 122.820 0.028 0.000 1.835 233 A HA -0.157 4.163 4.320 0.001 0.000 0.215 233 A C 1.440 179.057 177.584 0.055 0.000 1.199 233 A CA 2.307 54.328 52.037 -0.026 0.000 0.615 233 A CB -0.644 18.299 19.000 -0.095 0.000 0.838 233 A HN 0.997 nan 8.150 nan 0.000 0.444 234 D N -2.443 118.016 120.400 0.098 0.000 4.429 234 D HA -0.240 4.400 4.640 0.001 0.000 0.235 234 D C 0.734 177.100 176.300 0.109 0.000 1.091 234 D CA 2.370 56.454 54.000 0.140 0.000 2.197 234 D CB -1.052 39.873 40.800 0.209 0.000 1.181 234 D HN 0.898 nan 8.370 nan 0.000 0.415 245 E N 0.995 121.293 120.200 0.163 0.000 2.250 245 E HA 0.109 4.460 4.350 0.001 0.000 0.192 245 E C 0.622 177.362 176.600 0.234 0.000 0.986 245 E CA 1.458 57.958 56.400 0.166 0.000 0.849 245 E CB 0.280 30.043 29.700 0.106 0.000 0.797 245 E HN 0.773 nan 8.360 nan 0.000 0.482 246 E N -0.544 119.742 120.200 0.143 0.000 2.416 246 E HA 0.520 4.870 4.350 0.001 0.000 0.273 246 E C -2.892 173.504 176.600 -0.340 0.000 0.935 246 E CA -2.480 53.864 56.400 -0.093 0.000 0.784 246 E CB 2.435 32.127 29.700 -0.014 0.000 1.301 246 E HN -0.083 nan 8.360 nan 0.000 0.454 247 P HA 0.016 nan 4.420 nan 0.000 0.268 247 P C -0.725 176.443 177.300 -0.220 0.000 1.204 247 P CA -0.288 62.365 63.100 -0.746 0.000 0.768 247 P CB 0.399 31.464 31.700 -1.058 0.000 0.842 248 L N 4.914 126.130 121.223 -0.011 0.000 2.282 248 L HA 0.271 4.611 4.340 0.001 0.000 0.287 248 L C -0.898 176.075 176.870 0.172 0.000 1.075 248 L CA -0.409 54.495 54.840 0.107 0.000 0.839 248 L CB 0.260 42.412 42.059 0.154 0.000 1.219 248 L HN 0.074 nan 8.230 nan 0.000 0.434 249 V N 6.326 126.353 119.914 0.189 0.000 2.547 249 V HA 0.531 4.652 4.120 0.001 0.000 0.299 249 V C -0.177 176.104 176.094 0.313 0.000 1.040 249 V CA -0.527 61.904 62.300 0.219 0.000 0.913 249 V CB 1.659 33.648 31.823 0.277 0.000 0.992 249 V HN 0.639 nan 8.190 nan 0.000 0.449 250 F N 2.849 122.894 119.950 0.159 0.000 2.643 250 F HA 0.848 5.375 4.527 0.001 0.000 0.314 250 F C -1.318 174.543 175.800 0.103 0.000 1.096 250 F CA -1.365 56.703 58.000 0.114 0.000 0.953 250 F CB 1.381 40.434 39.000 0.090 0.000 1.345 250 F HN 0.234 nan 8.300 nan 0.000 0.468 251 L N 1.944 123.284 121.223 0.195 0.000 2.334 251 L HA 0.612 4.953 4.340 0.001 0.000 0.272 251 L C -0.656 176.289 176.870 0.125 0.000 1.020 251 L CA -1.015 53.817 54.840 -0.013 0.000 0.812 251 L CB 2.037 44.047 42.059 -0.081 0.000 1.264 251 L HN 0.678 nan 8.230 nan 0.000 0.439 252 K N 1.358 121.765 120.400 0.012 0.000 2.345 252 K HA 0.639 4.960 4.320 0.001 0.000 0.255 252 K C -0.612 175.999 176.600 0.018 0.000 0.934 252 K CA -0.547 55.800 56.287 0.099 0.000 0.801 252 K CB 2.254 34.814 32.500 0.101 0.000 1.137 252 K HN 0.678 nan 8.250 nan 0.000 0.424 253 A N 3.550 126.415 122.820 0.076 0.000 2.386 253 A HA 0.248 4.568 4.320 0.001 0.000 0.248 253 A C -1.558 176.038 177.584 0.020 0.000 1.082 253 A CA -1.099 50.947 52.037 0.016 0.000 0.789 253 A CB -0.122 18.986 19.000 0.181 0.000 1.025 253 A HN 0.542 nan 8.150 nan 0.000 0.490 254 P HA -0.121 nan 4.420 nan 0.000 0.219 254 P C 0.622 177.935 177.300 0.022 0.000 1.146 254 P CA 1.122 64.207 63.100 -0.024 0.000 0.808 254 P CB 0.024 31.692 31.700 -0.053 0.000 0.779 255 N N -1.188 117.546 118.700 0.056 0.000 2.571 255 N HA -0.067 4.674 4.740 0.001 0.000 0.189 255 N C 1.628 177.175 175.510 0.061 0.000 1.154 255 N CA 0.853 53.934 53.050 0.051 0.000 0.907 255 N CB -0.986 37.527 38.487 0.044 0.000 0.977 255 N HN 0.138 nan 8.380 nan 0.000 0.449 256 T N 0.032 114.634 114.554 0.079 0.000 2.995 256 T HA 0.112 4.462 4.350 0.001 0.000 0.269 256 T C 0.739 175.486 174.700 0.079 0.000 1.091 256 T CA 0.090 62.248 62.100 0.095 0.000 1.128 256 T CB -0.030 68.913 68.868 0.125 0.000 0.891 256 T HN 0.074 nan 8.240 nan 0.000 0.492 257 L N 1.704 122.959 121.223 0.052 0.000 2.456 257 L HA 0.365 4.705 4.340 0.001 0.000 0.272 257 L C 0.508 177.401 176.870 0.039 0.000 1.189 257 L CA 0.008 54.870 54.840 0.038 0.000 0.846 257 L CB 0.895 42.954 42.059 0.001 0.000 1.111 257 L HN 0.099 nan 8.230 nan 0.000 0.475 258 T N 1.222 115.803 114.554 0.045 0.000 2.816 258 T HA 0.610 4.960 4.350 0.001 0.000 0.299 258 T C -0.057 174.665 174.700 0.036 0.000 1.230 258 T CA -0.032 62.092 62.100 0.041 0.000 1.007 258 T CB 1.633 70.535 68.868 0.058 0.000 1.289 258 T HN 0.700 nan 8.240 nan 0.000 0.508 259 G N 0.498 109.316 108.800 0.031 0.000 2.510 259 G HA2 0.454 4.415 3.960 0.001 0.000 0.280 259 G HA3 0.454 4.415 3.960 0.001 0.000 0.280 259 G C -0.577 174.348 174.900 0.041 0.000 1.386 259 G CA -0.328 44.789 45.100 0.029 0.000 1.047 259 G HN 0.717 nan 8.290 nan 0.000 0.527 260 D N -1.095 119.328 120.400 0.039 0.000 2.372 260 D HA 0.103 4.744 4.640 0.001 0.000 0.243 260 D C 0.759 177.082 176.300 0.038 0.000 1.121 260 D CA 0.238 54.262 54.000 0.041 0.000 0.898 260 D CB 0.481 41.303 40.800 0.038 0.000 1.202 260 D HN 0.373 nan 8.370 nan 0.000 0.428 261 N N 1.343 120.068 118.700 0.042 0.000 2.740 261 N HA -0.185 4.555 4.740 0.001 0.000 0.248 261 N C -0.964 174.568 175.510 0.038 0.000 1.062 261 N CA 0.693 53.765 53.050 0.037 0.000 0.704 261 N CB -0.429 38.075 38.487 0.027 0.000 0.968 261 N HN 0.404 nan 8.380 nan 0.000 0.547 262 Q N -1.109 118.720 119.800 0.048 0.000 2.990 262 Q HA 0.612 4.952 4.340 0.001 0.000 0.255 262 Q C 0.549 176.579 176.000 0.050 0.000 1.040 262 Q CA -0.111 55.718 55.803 0.044 0.000 0.897 262 Q CB 0.386 29.150 28.738 0.044 0.000 1.429 262 Q HN 0.460 nan 8.270 nan 0.000 0.497 263 T N -2.357 112.220 114.554 0.040 0.000 2.932 263 T HA 0.791 5.142 4.350 0.001 0.000 0.289 263 T C -0.421 174.289 174.700 0.016 0.000 1.039 263 T CA -0.682 61.435 62.100 0.028 0.000 1.024 263 T CB 1.376 70.250 68.868 0.009 0.000 1.090 263 T HN 0.304 nan 8.240 nan 0.000 0.496 264 S N 0.765 116.446 115.700 -0.033 0.000 2.571 264 S HA 0.544 5.014 4.470 0.001 0.000 0.284 264 S C -0.481 174.019 174.600 -0.166 0.000 1.128 264 S CA -0.801 57.332 58.200 -0.113 0.000 0.970 264 S CB 1.653 64.719 63.200 -0.223 0.000 1.039 264 S HN 0.754 nan 8.310 nan 0.000 0.485 265 V N 3.585 123.424 119.914 -0.125 0.000 2.488 265 V HA 0.336 4.457 4.120 0.001 0.000 0.277 265 V C 0.667 176.678 176.094 -0.139 0.000 1.046 265 V CA -0.336 61.904 62.300 -0.101 0.000 0.986 265 V CB 0.732 32.528 31.823 -0.045 0.000 0.989 265 V HN 0.741 nan 8.190 nan 0.000 0.475 266 R N 6.729 127.152 120.500 -0.128 0.000 2.221 266 R HA 0.356 4.696 4.340 0.001 0.000 0.327 266 R C -2.536 173.724 176.300 -0.067 0.000 1.033 266 R CA -1.707 54.317 56.100 -0.127 0.000 0.887 266 R CB 1.205 31.433 30.300 -0.120 0.000 1.057 266 R HN 0.437 nan 8.270 nan 0.000 0.455 267 P HA -0.013 nan 4.420 nan 0.000 0.268 267 P C -0.904 176.402 177.300 0.009 0.000 1.205 267 P CA 0.053 63.163 63.100 0.017 0.000 0.771 267 P CB 0.452 32.211 31.700 0.099 0.000 0.858 268 N N 2.073 120.789 118.700 0.026 0.000 2.407 268 N HA -0.050 4.691 4.740 0.001 0.000 0.250 268 N C 0.015 175.542 175.510 0.029 0.000 1.236 268 N CA 0.234 53.296 53.050 0.020 0.000 0.879 268 N CB -0.547 37.954 38.487 0.024 0.000 1.088 268 N HN 0.425 nan 8.380 nan 0.000 0.450 269 N N -0.511 118.198 118.700 0.016 0.000 2.780 269 N HA -0.182 4.559 4.740 0.001 0.000 0.248 269 N C -1.220 174.300 175.510 0.017 0.000 1.102 269 N CA 0.258 53.321 53.050 0.021 0.000 0.697 269 N CB -1.343 37.165 38.487 0.035 0.000 1.028 269 N HN 0.473 nan 8.380 nan 0.000 0.554 270 I N -4.143 116.419 120.570 -0.014 0.000 2.846 270 I HA 0.429 4.599 4.170 0.001 0.000 0.307 270 I C 1.081 177.179 176.117 -0.031 0.000 1.053 270 I CA -0.885 60.386 61.300 -0.048 0.000 1.050 270 I CB 1.679 39.585 38.000 -0.157 0.000 1.239 270 I HN -0.108 nan 8.210 nan 0.000 0.439 271 E N 1.321 121.511 120.200 -0.017 0.000 2.076 271 E HA -0.036 4.314 4.350 0.001 0.000 0.190 271 E C -0.855 175.818 176.600 0.121 0.000 0.979 271 E CA 1.216 57.638 56.400 0.036 0.000 0.807 271 E CB 0.245 29.964 29.700 0.031 0.000 0.761 271 E HN 0.594 nan 8.360 nan 0.000 0.454 272 Y N 0.282 120.527 120.300 -0.091 0.000 2.330 272 Y HA 0.369 4.919 4.550 0.001 0.000 0.324 272 Y C -1.325 174.517 175.900 -0.097 0.000 1.093 272 Y CA -0.831 57.231 58.100 -0.063 0.000 1.103 272 Y CB 1.295 39.738 38.460 -0.030 0.000 1.183 272 Y HN -0.180 nan 8.280 nan 0.000 0.433 273 M N 7.900 127.248 119.600 -0.420 0.000 2.321 273 M HA 0.471 4.951 4.480 0.001 0.000 0.315 273 M C -1.789 174.198 176.300 -0.522 0.000 1.052 273 M CA -0.360 54.684 55.300 -0.426 0.000 0.936 273 M CB 1.306 33.735 32.600 -0.286 0.000 1.639 273 M HN 0.853 nan 8.290 nan 0.000 0.433 274 H N 2.750 121.547 119.070 -0.456 0.000 2.851 274 H HA 0.400 4.956 4.556 0.001 0.000 0.372 274 H C -1.833 173.359 175.328 -0.226 0.000 1.158 274 H CA -0.859 54.876 56.048 -0.523 0.000 1.159 274 H CB 0.681 29.995 29.762 -0.747 0.000 1.757 274 H HN 0.738 nan 8.280 nan 0.000 0.546 275 Y N 0.183 120.588 120.300 0.176 0.000 2.296 275 Y HA 0.486 5.037 4.550 0.001 0.000 0.343 275 Y C -0.402 175.525 175.900 0.045 0.000 1.292 275 Y CA -0.947 57.130 58.100 -0.037 0.000 1.490 275 Y CB 0.603 39.003 38.460 -0.099 0.000 1.359 275 Y HN 0.656 nan 8.280 nan 0.000 0.599 276 E N 0.572 120.885 120.200 0.189 0.000 2.448 276 E HA 0.506 4.856 4.350 0.001 0.000 0.288 276 E C -1.335 175.303 176.600 0.063 0.000 0.936 276 E CA -0.715 55.790 56.400 0.174 0.000 0.809 276 E CB 1.506 31.287 29.700 0.135 0.000 1.408 276 E HN 0.889 nan 8.360 nan 0.000 0.393 277 A N 3.479 126.323 122.820 0.039 0.000 2.440 277 A HA 0.305 4.626 4.320 0.001 0.000 0.251 277 A C -0.007 177.562 177.584 -0.025 0.000 1.089 277 A CA 0.284 52.297 52.037 -0.040 0.000 0.779 277 A CB 0.458 19.399 19.000 -0.098 0.000 1.022 277 A HN 0.567 nan 8.150 nan 0.000 0.492 278 E N 0.881 121.085 120.200 0.006 0.000 2.356 278 E HA 0.361 4.712 4.350 0.001 0.000 0.275 278 E C -1.619 175.023 176.600 0.070 0.000 0.904 278 E CA -0.982 55.451 56.400 0.054 0.000 0.757 278 E CB 2.084 31.831 29.700 0.079 0.000 1.232 278 E HN 0.534 nan 8.360 nan 0.000 0.442 279 L N 2.224 123.506 121.223 0.100 0.000 2.305 279 L HA 0.316 4.657 4.340 0.001 0.000 0.281 279 L C -1.166 175.772 176.870 0.114 0.000 1.085 279 L CA -0.263 54.629 54.840 0.086 0.000 0.813 279 L CB 1.206 43.298 42.059 0.054 0.000 1.157 279 L HN 0.293 nan 8.230 nan 0.000 0.436 280 V N 5.965 125.954 119.914 0.125 0.000 2.459 280 V HA 0.461 4.581 4.120 0.001 0.000 0.295 280 V C -0.283 175.900 176.094 0.147 0.000 1.029 280 V CA -0.723 61.651 62.300 0.124 0.000 0.874 280 V CB 1.837 33.728 31.823 0.114 0.000 0.985 280 V HN 0.556 nan 8.190 nan 0.000 0.438 281 V N 5.624 125.612 119.914 0.124 0.000 2.427 281 V HA 0.447 4.567 4.120 0.001 0.000 0.286 281 V C -0.118 175.965 176.094 -0.018 0.000 1.034 281 V CA -0.485 61.852 62.300 0.062 0.000 0.893 281 V CB 1.843 33.719 31.823 0.088 0.000 0.982 281 V HN 0.612 nan 8.190 nan 0.000 0.452 282 V N 5.764 125.603 119.914 -0.125 0.000 2.417 282 V HA 0.429 4.550 4.120 0.001 0.000 0.291 282 V C 0.096 176.135 176.094 -0.092 0.000 1.024 282 V CA -0.684 61.559 62.300 -0.096 0.000 0.861 282 V CB 1.664 33.381 31.823 -0.176 0.000 0.985 282 V HN 0.570 nan 8.190 nan 0.000 0.436 283 I N 3.834 124.390 120.570 -0.023 0.000 2.588 283 I HA 0.226 4.397 4.170 0.001 0.000 0.283 283 I C 1.376 177.492 176.117 -0.002 0.000 1.119 283 I CA 0.625 61.925 61.300 -0.001 0.000 1.419 283 I CB 0.968 38.986 38.000 0.031 0.000 1.394 283 I HN 0.785 nan 8.210 nan 0.000 0.562 284 G N 5.767 114.566 108.800 -0.001 0.000 2.848 284 G HA2 0.061 4.021 3.960 0.001 0.000 0.213 284 G HA3 0.061 4.021 3.960 0.001 0.000 0.213 284 G C 0.534 175.443 174.900 0.014 0.000 1.101 284 G CA -0.013 45.081 45.100 -0.009 0.000 0.778 284 G HN 0.527 nan 8.290 nan 0.000 0.536 285 K N 0.803 121.239 120.400 0.061 0.000 2.501 285 K HA 0.268 4.588 4.320 0.001 0.000 0.252 285 K C -0.817 175.912 176.600 0.216 0.000 0.934 285 K CA -0.695 55.646 56.287 0.091 0.000 0.797 285 K CB 1.877 34.355 32.500 -0.037 0.000 1.270 285 K HN 0.066 nan 8.250 nan 0.000 0.431 286 Q N 2.480 122.377 119.800 0.162 0.000 2.262 286 Q HA 0.120 4.461 4.340 0.001 0.000 0.298 286 Q C -1.368 174.724 176.000 0.154 0.000 1.083 286 Q CA 0.286 56.170 55.803 0.134 0.000 0.962 286 Q CB 0.512 29.309 28.738 0.098 0.000 1.104 286 Q HN 0.550 nan 8.270 nan 0.000 0.376 287 A N 5.006 127.826 122.820 -0.001 0.000 2.319 287 A HA 0.673 4.993 4.320 0.001 0.000 0.310 287 A C -1.045 176.394 177.584 -0.243 0.000 1.152 287 A CA -0.737 51.142 52.037 -0.263 0.000 0.783 287 A CB 1.437 20.156 19.000 -0.470 0.000 1.184 287 A HN 0.767 nan 8.150 nan 0.000 0.474 288 R N 2.633 122.986 120.500 -0.245 0.000 2.515 288 R HA 0.455 4.795 4.340 0.001 0.000 0.291 288 R C -0.716 175.462 176.300 -0.203 0.000 1.046 288 R CA -0.176 55.801 56.100 -0.205 0.000 0.914 288 R CB 0.398 30.623 30.300 -0.125 0.000 1.191 288 R HN 0.735 nan 8.270 nan 0.000 0.435 289 N N 1.725 120.295 118.700 -0.217 0.000 2.727 289 N HA -0.158 4.582 4.740 0.001 0.000 0.251 289 N C -1.095 174.299 175.510 -0.194 0.000 1.040 289 N CA 0.937 53.879 53.050 -0.180 0.000 0.712 289 N CB -0.952 37.464 38.487 -0.118 0.000 0.912 289 N HN 0.277 nan 8.380 nan 0.000 0.545 290 V N 0.951 120.700 119.914 -0.275 0.000 2.465 290 V HA 0.295 4.415 4.120 0.001 0.000 0.279 290 V C 1.079 177.058 176.094 -0.192 0.000 1.045 290 V CA -0.507 61.614 62.300 -0.297 0.000 0.938 290 V CB 1.746 33.230 31.823 -0.565 0.000 0.986 290 V HN 0.508 nan 8.190 nan 0.000 0.467 291 S N 3.095 118.730 115.700 -0.108 0.000 2.614 291 S HA 0.174 4.644 4.470 0.001 0.000 0.265 291 S C 1.070 175.639 174.600 -0.051 0.000 1.303 291 S CA 0.082 58.239 58.200 -0.070 0.000 1.000 291 S CB 1.006 64.190 63.200 -0.027 0.000 0.935 291 S HN 0.836 nan 8.310 nan 0.000 0.551 292 E N 1.384 121.561 120.200 -0.039 0.000 2.051 292 E HA -0.171 4.179 4.350 0.001 0.000 0.192 292 E C 2.216 178.837 176.600 0.035 0.000 0.991 292 E CA 1.213 57.611 56.400 -0.002 0.000 0.799 292 E CB -0.665 29.050 29.700 0.026 0.000 0.748 292 E HN 0.863 nan 8.360 nan 0.000 0.449 293 A N 1.090 123.930 122.820 0.033 0.000 1.958 293 A HA -0.227 4.094 4.320 0.001 0.000 0.221 293 A C 1.638 179.258 177.584 0.059 0.000 1.178 293 A CA 2.114 54.177 52.037 0.043 0.000 0.642 293 A CB -0.363 18.657 19.000 0.033 0.000 0.816 293 A HN 0.316 nan 8.150 nan 0.000 0.453 294 D N -1.150 119.292 120.400 0.069 0.000 2.360 294 D HA 0.315 4.955 4.640 0.001 0.000 0.210 294 D C 1.966 178.390 176.300 0.206 0.000 1.047 294 D CA 0.787 54.864 54.000 0.128 0.000 0.854 294 D CB -0.050 40.847 40.800 0.161 0.000 0.936 294 D HN 0.404 nan 8.370 nan 0.000 0.514 295 A N 1.318 124.216 122.820 0.129 0.000 1.908 295 A HA -0.190 4.130 4.320 0.001 0.000 0.218 295 A C 1.997 179.710 177.584 0.215 0.000 1.181 295 A CA 1.169 53.290 52.037 0.139 0.000 0.627 295 A CB -0.390 18.637 19.000 0.045 0.000 0.818 295 A HN 0.091 nan 8.150 nan 0.000 0.445 296 M N 0.290 119.983 119.600 0.155 0.000 2.530 296 M HA -0.109 4.371 4.480 0.001 0.000 0.261 296 M C 0.676 177.025 176.300 0.082 0.000 1.067 296 M CA 0.885 56.259 55.300 0.124 0.000 1.071 296 M CB -1.459 31.210 32.600 0.114 0.000 1.405 296 M HN 0.310 nan 8.290 nan 0.000 0.478 297 D N -0.850 119.603 120.400 0.089 0.000 2.312 297 D HA -0.091 4.549 4.640 0.001 0.000 0.211 297 D C 1.193 177.320 176.300 -0.289 0.000 0.964 297 D CA 0.953 54.887 54.000 -0.111 0.000 0.877 297 D CB -0.157 40.522 40.800 -0.202 0.000 0.924 297 D HN 0.419 nan 8.370 nan 0.000 0.515 298 Y N -0.217 120.065 120.300 -0.030 0.000 2.458 298 Y HA 0.201 4.751 4.550 0.001 0.000 0.256 298 Y C 0.580 176.444 175.900 -0.059 0.000 1.159 298 Y CA -0.273 57.802 58.100 -0.041 0.000 1.261 298 Y CB 0.469 38.902 38.460 -0.045 0.000 1.119 298 Y HN -0.289 nan 8.280 nan 0.000 0.524 299 V N 0.491 120.421 119.914 0.025 0.000 2.465 299 V HA 0.329 4.449 4.120 0.001 0.000 0.279 299 V C 0.987 177.002 176.094 -0.132 0.000 1.045 299 V CA 0.105 62.360 62.300 -0.073 0.000 0.938 299 V CB 1.201 32.954 31.823 -0.117 0.000 0.986 299 V HN 0.364 nan 8.190 nan 0.000 0.467 300 A N 3.776 126.500 122.820 -0.159 0.000 1.855 300 A HA 0.575 4.896 4.320 0.001 0.000 0.213 300 A C 1.149 178.582 177.584 -0.251 0.000 1.195 300 A CA 1.324 53.263 52.037 -0.163 0.000 0.610 300 A CB -0.323 18.601 19.000 -0.126 0.000 0.837 300 A HN 1.325 nan 8.150 nan 0.000 0.444 301 G N -3.218 105.334 108.800 -0.412 0.000 2.356 301 G HA2 0.448 4.409 3.960 0.001 0.000 0.281 301 G HA3 0.448 4.409 3.960 0.001 0.000 0.281 301 G C -1.660 172.778 174.900 -0.771 0.000 1.246 301 G CA -0.471 44.264 45.100 -0.608 0.000 0.889 301 G HN 0.231 nan 8.290 nan 0.000 0.486 302 Y N -0.940 119.322 120.300 -0.064 0.000 2.536 302 Y HA 0.843 5.394 4.550 0.001 0.000 0.347 302 Y C 0.659 176.521 175.900 -0.064 0.000 1.000 302 Y CA -0.265 57.801 58.100 -0.057 0.000 1.051 302 Y CB 2.566 41.002 38.460 -0.040 0.000 1.259 302 Y HN 0.809 nan 8.280 nan 0.000 0.468 303 T N 0.014 114.641 114.554 0.122 0.000 2.626 303 T HA 0.773 5.123 4.350 0.001 0.000 0.299 303 T C -2.013 172.746 174.700 0.098 0.000 1.181 303 T CA -0.495 61.653 62.100 0.080 0.000 1.053 303 T CB 1.068 69.953 68.868 0.027 0.000 1.566 303 T HN 0.341 nan 8.240 nan 0.000 0.486 304 V N 1.407 121.377 119.914 0.092 0.000 2.789 304 V HA 0.716 4.837 4.120 0.001 0.000 0.311 304 V C 0.124 176.260 176.094 0.070 0.000 1.073 304 V CA -0.785 61.557 62.300 0.071 0.000 0.921 304 V CB 1.010 32.863 31.823 0.050 0.000 1.009 304 V HN 1.251 nan 8.190 nan 0.000 0.426 305 C N 1.965 121.296 119.300 0.051 0.000 3.044 305 C HA 0.817 5.277 4.460 0.001 0.000 0.315 305 C C -0.648 174.333 174.990 -0.015 0.000 1.320 305 C CA -0.787 58.251 59.018 0.032 0.000 1.582 305 C CB 1.957 29.727 27.740 0.050 0.000 2.039 305 C HN 0.795 nan 8.230 nan 0.000 0.466 306 N N 1.089 119.750 118.700 -0.065 0.000 2.524 306 N HA 0.269 5.010 4.740 0.001 0.000 0.261 306 N C -1.431 173.963 175.510 -0.194 0.000 0.998 306 N CA 0.107 53.042 53.050 -0.192 0.000 0.915 306 N CB 1.099 39.374 38.487 -0.354 0.000 1.187 306 N HN 0.890 nan 8.380 nan 0.000 0.507 307 D N 3.451 123.801 120.400 -0.083 0.000 2.631 307 D HA 0.085 4.726 4.640 0.001 0.000 0.227 307 D C -0.360 175.958 176.300 0.030 0.000 1.146 307 D CA -0.162 53.854 54.000 0.027 0.000 1.009 307 D CB -0.497 40.366 40.800 0.104 0.000 1.057 307 D HN 0.323 nan 8.370 nan 0.000 0.509 308 Y N 1.113 121.429 120.300 0.027 0.000 2.757 308 Y HA 0.276 4.826 4.550 0.001 0.000 0.344 308 Y C 0.972 176.774 175.900 -0.164 0.000 1.263 308 Y CA 0.045 58.098 58.100 -0.078 0.000 1.493 308 Y CB 0.621 39.047 38.460 -0.057 0.000 1.342 308 Y HN 0.325 nan 8.280 nan 0.000 0.627 309 A N 3.211 125.904 122.820 -0.211 0.000 2.515 309 A HA 0.727 5.047 4.320 0.001 0.000 0.298 309 A C -1.644 175.714 177.584 -0.376 0.000 1.059 309 A CA -0.711 51.137 52.037 -0.316 0.000 0.698 309 A CB 1.092 19.831 19.000 -0.435 0.000 1.289 309 A HN 0.464 nan 8.150 nan 0.000 0.404 310 I N 2.657 123.072 120.570 -0.258 0.000 2.359 310 I HA 0.325 4.496 4.170 0.001 0.000 0.284 310 I C 1.467 177.442 176.117 -0.236 0.000 1.018 310 I CA -0.167 60.941 61.300 -0.320 0.000 1.173 310 I CB 0.933 38.654 38.000 -0.465 0.000 1.326 310 I HN 1.045 nan 8.210 nan 0.000 0.462 311 R N 3.569 124.008 120.500 -0.102 0.000 2.120 311 R HA -0.161 4.180 4.340 0.001 0.000 0.234 311 R C 0.774 177.058 176.300 -0.025 0.000 1.123 311 R CA 1.739 57.859 56.100 0.032 0.000 0.975 311 R CB 0.326 30.770 30.300 0.240 0.000 0.866 311 R HN 0.509 nan 8.270 nan 0.000 0.446 312 D N -0.510 119.811 120.400 -0.132 0.000 2.221 312 D HA -0.187 4.454 4.640 0.001 0.000 0.204 312 D C 0.860 177.207 176.300 0.079 0.000 0.982 312 D CA 1.156 55.103 54.000 -0.089 0.000 0.857 312 D CB -0.123 40.549 40.800 -0.213 0.000 0.934 312 D HN 0.361 nan 8.370 nan 0.000 0.475 313 Y N 0.166 120.451 120.300 -0.025 0.000 2.466 313 Y HA 0.287 4.837 4.550 0.000 0.000 0.272 313 Y C 0.687 176.565 175.900 -0.036 0.000 1.169 313 Y CA -0.793 57.279 58.100 -0.047 0.000 1.285 313 Y CB -0.883 37.517 38.460 -0.101 0.000 1.078 313 Y HN -0.070 nan 8.280 nan 0.000 0.523 314 L N 1.130 122.419 121.223 0.109 0.000 2.485 314 L HA 0.041 4.381 4.340 0.001 0.000 0.275 314 L C 0.505 177.419 176.870 0.074 0.000 1.207 314 L CA 0.877 55.754 54.840 0.062 0.000 0.855 314 L CB 0.433 42.513 42.059 0.035 0.000 1.114 314 L HN 0.169 nan 8.230 nan 0.000 0.485 315 E N 1.317 121.559 120.200 0.071 0.000 2.431 315 E HA 0.294 4.644 4.350 0.001 0.000 0.268 315 E C -0.645 175.993 176.600 0.064 0.000 0.953 315 E CA -0.904 55.557 56.400 0.101 0.000 0.810 315 E CB 1.305 31.099 29.700 0.158 0.000 1.369 315 E HN 0.467 nan 8.360 nan 0.000 0.440 316 N N 0.730 119.440 118.700 0.017 0.000 2.451 316 N HA 0.149 4.890 4.740 0.001 0.000 0.264 316 N C -1.423 173.822 175.510 -0.443 0.000 1.167 316 N CA 0.206 53.172 53.050 -0.140 0.000 0.898 316 N CB 0.196 38.622 38.487 -0.100 0.000 1.176 316 N HN 0.285 nan 8.380 nan 0.000 0.507 317 Y N -0.360 119.960 120.300 0.033 0.000 2.338 317 Y HA 0.222 4.772 4.550 0.001 0.000 0.333 317 Y C -0.230 175.710 175.900 0.066 0.000 0.968 317 Y CA -0.993 57.093 58.100 -0.023 0.000 1.123 317 Y CB 0.688 39.020 38.460 -0.213 0.000 1.165 317 Y HN 0.056 nan 8.280 nan 0.000 0.452 318 Y N 0.829 121.211 120.300 0.136 0.000 3.001 318 Y HA -0.282 4.269 4.550 0.001 0.000 0.199 318 Y C 0.740 176.620 175.900 -0.033 0.000 1.320 318 Y CA -0.107 58.034 58.100 0.068 0.000 0.974 318 Y CB -1.046 37.518 38.460 0.172 0.000 1.291 318 Y HN 0.567 nan 8.280 nan 0.000 0.465 319 R N 2.410 122.879 120.500 -0.052 0.000 2.340 319 R HA 0.315 4.656 4.340 0.001 0.000 0.300 319 R C -2.362 173.802 176.300 -0.225 0.000 1.069 319 R CA -1.496 54.502 56.100 -0.171 0.000 0.984 319 R CB 0.785 30.896 30.300 -0.315 0.000 1.003 319 R HN 0.004 nan 8.270 nan 0.000 0.459 320 P HA 0.202 nan 4.420 nan 0.000 0.290 320 P C -0.787 176.365 177.300 -0.247 0.000 1.276 320 P CA -0.301 62.619 63.100 -0.301 0.000 0.808 320 P CB 1.110 32.541 31.700 -0.449 0.000 0.966 321 N N 2.002 120.665 118.700 -0.061 0.000 2.327 321 N HA 0.109 4.849 4.740 0.001 0.000 0.257 321 N C 1.192 176.763 175.510 0.102 0.000 1.281 321 N CA -0.374 52.725 53.050 0.082 0.000 0.942 321 N CB -0.425 nan 38.487 nan 0.000 1.199 321 N HN 0.333 nan 8.380 nan 0.000 0.532 322 L N -0.733 120.640 121.223 0.251 0.000 2.141 322 L HA 0.071 4.411 4.340 0.001 0.000 0.209 322 L C 2.728 179.578 176.870 -0.034 0.000 1.094 322 L CA 1.186 56.183 54.840 0.262 0.000 0.763 322 L CB -0.269 42.056 42.059 0.443 0.000 0.908 322 L HN 0.764 nan 8.230 nan 0.000 0.437 323 R N -1.085 119.222 120.500 -0.323 0.000 2.235 323 R HA -0.062 4.278 4.340 0.001 0.000 0.213 323 R C 1.722 177.788 176.300 -0.390 0.000 1.059 323 R CA 0.766 56.239 56.100 -1.046 0.000 0.997 323 R CB 0.138 29.942 30.300 -0.828 0.000 0.884 323 R HN 0.224 nan 8.270 nan 0.000 0.462 324 V N -0.095 119.744 119.914 -0.125 0.000 2.685 324 V HA 0.015 4.135 4.120 0.001 0.000 0.244 324 V C 1.677 177.761 176.094 -0.015 0.000 1.054 324 V CA 1.140 63.420 62.300 -0.033 0.000 1.076 324 V CB 0.155 31.956 31.823 -0.036 0.000 0.725 324 V HN 0.124 nan 8.190 nan 0.000 0.467 325 K N -0.405 120.007 120.400 0.020 0.000 2.402 325 K HA 0.313 4.633 4.320 0.001 0.000 0.203 325 K C 0.758 177.475 176.600 0.195 0.000 1.077 325 K CA 0.211 56.569 56.287 0.119 0.000 1.051 325 K CB 1.242 33.818 32.500 0.126 0.000 0.907 325 K HN 0.326 nan 8.250 nan 0.000 0.554 326 S N 1.456 117.275 115.700 0.197 0.000 2.499 326 S HA 0.297 4.768 4.470 0.001 0.000 0.238 326 S C -0.081 174.685 174.600 0.275 0.000 1.205 326 S CA -0.450 57.895 58.200 0.242 0.000 1.203 326 S CB 0.514 63.889 63.200 0.291 0.000 0.954 326 S HN 0.102 nan 8.310 nan 0.000 0.484 327 R N 1.621 122.248 120.500 0.212 0.000 2.441 327 R HA 0.229 4.569 4.340 0.001 0.000 0.284 327 R C -0.723 175.667 176.300 0.150 0.000 1.070 327 R CA -0.748 55.485 56.100 0.222 0.000 1.047 327 R CB 0.350 30.726 30.300 0.128 0.000 1.016 327 R HN 0.202 nan 8.270 nan 0.000 0.477 328 D N 1.321 121.792 120.400 0.120 0.000 2.586 328 D HA -0.008 4.633 4.640 0.001 0.000 0.234 328 D C 1.298 177.636 176.300 0.063 0.000 1.132 328 D CA 1.511 55.552 54.000 0.068 0.000 0.860 328 D CB 0.491 41.313 40.800 0.036 0.000 1.159 328 D HN 0.802 nan 8.370 nan 0.000 0.490 329 G N 2.224 111.063 108.800 0.065 0.000 2.187 329 G HA2 -0.314 3.646 3.960 0.001 0.000 0.261 329 G HA3 -0.314 3.646 3.960 0.001 0.000 0.261 329 G C 0.795 175.754 174.900 0.099 0.000 1.000 329 G CA 0.106 45.247 45.100 0.068 0.000 0.718 329 G HN 0.470 nan 8.290 nan 0.000 0.519 330 L N 0.864 122.160 121.223 0.122 0.000 2.629 330 L HA 0.354 4.694 4.340 0.001 0.000 0.230 330 L C 1.085 178.148 176.870 0.322 0.000 1.151 330 L CA 1.196 56.152 54.840 0.194 0.000 0.924 330 L CB 0.525 42.652 42.059 0.113 0.000 1.137 330 L HN 0.158 nan 8.230 nan 0.000 0.457 331 T N 0.128 114.809 114.554 0.212 0.000 3.410 331 T HA 0.298 4.649 4.350 0.001 0.000 0.328 331 T C -2.539 172.227 174.700 0.109 0.000 1.567 331 T CA -1.195 60.996 62.100 0.151 0.000 1.626 331 T CB 0.772 69.708 68.868 0.113 0.000 0.939 331 T HN -0.195 nan 8.240 nan 0.000 0.656 332 P HA 0.218 nan 4.420 nan 0.000 0.264 332 P C -0.484 176.847 177.300 0.051 0.000 1.183 332 P CA -0.037 63.114 63.100 0.085 0.000 0.763 332 P CB 0.456 32.210 31.700 0.090 0.000 0.807 333 M N 1.909 121.539 119.600 0.050 0.000 2.322 333 M HA 0.478 4.958 4.480 0.001 0.000 0.285 333 M C -1.013 175.329 176.300 0.070 0.000 1.119 333 M CA -0.775 54.561 55.300 0.060 0.000 0.953 333 M CB 1.511 34.141 32.600 0.050 0.000 1.701 333 M HN 0.104 nan 8.290 nan 0.000 0.479 334 L N 2.466 123.751 121.223 0.102 0.000 2.456 334 L HA 0.387 4.727 4.340 0.001 0.000 0.272 334 L C 1.037 178.015 176.870 0.180 0.000 1.189 334 L CA 0.635 55.544 54.840 0.114 0.000 0.846 334 L CB 0.154 nan 42.059 nan 0.000 1.111 334 L HN 0.999 nan 8.230 nan 0.000 0.475 335 S N -0.023 115.759 115.700 0.137 0.000 2.558 335 S HA 0.059 4.529 4.470 0.001 0.000 0.217 335 S C 0.835 175.594 174.600 0.264 0.000 0.975 335 S CA 0.446 58.753 58.200 0.179 0.000 0.912 335 S CB -0.861 62.383 63.200 0.073 0.000 0.776 335 S HN 1.545 nan 8.310 nan 0.000 0.526 336 T N 0.663 115.315 114.554 0.164 0.000 2.913 336 T HA 0.691 5.042 4.350 0.001 0.000 0.287 336 T C -0.305 174.411 174.700 0.027 0.000 1.008 336 T CA -0.765 61.390 62.100 0.092 0.000 1.067 336 T CB 0.796 69.700 68.868 0.059 0.000 0.996 336 T HN 0.268 nan 8.240 nan 0.000 0.513 337 I N 1.765 122.317 120.570 -0.030 0.000 2.466 337 I HA 0.341 4.512 4.170 0.001 0.000 0.289 337 I C -0.658 175.439 176.117 -0.033 0.000 1.026 337 I CA -1.345 59.896 61.300 -0.097 0.000 1.078 337 I CB 2.367 40.250 38.000 -0.194 0.000 1.249 337 I HN 0.424 nan 8.210 nan 0.000 0.429 338 V N 8.502 128.420 119.914 0.007 0.000 2.406 338 V HA 0.264 4.385 4.120 0.001 0.000 0.272 338 V C -1.859 174.253 176.094 0.031 0.000 1.043 338 V CA -1.524 60.803 62.300 0.044 0.000 0.915 338 V CB 1.141 33.022 31.823 0.097 0.000 0.988 338 V HN 0.549 nan 8.190 nan 0.000 0.466 339 P HA 0.098 nan 4.420 nan 0.000 0.271 339 P C 0.383 177.693 177.300 0.017 0.000 1.216 339 P CA -0.430 62.654 63.100 -0.025 0.000 0.776 339 P CB 0.770 32.462 31.700 -0.014 0.000 0.881 340 K N 2.610 122.984 120.400 -0.043 0.000 2.218 340 K HA -0.201 4.119 4.320 0.001 0.000 0.205 340 K C 1.283 177.944 176.600 0.102 0.000 1.046 340 K CA 1.564 57.888 56.287 0.061 0.000 0.933 340 K CB -0.461 32.023 32.500 -0.027 0.000 0.728 340 K HN 0.283 nan 8.250 nan 0.000 0.454 341 E N 1.287 121.514 120.200 0.045 0.000 2.204 341 E HA -0.151 4.199 4.350 0.001 0.000 0.195 341 E C 1.978 178.607 176.600 0.048 0.000 0.990 341 E CA 1.366 57.790 56.400 0.040 0.000 0.821 341 E CB -0.378 29.332 29.700 0.017 0.000 0.750 341 E HN 0.536 nan 8.360 nan 0.000 0.477 342 A N 1.174 124.029 122.820 0.058 0.000 2.119 342 A HA 0.078 4.399 4.320 0.001 0.000 0.216 342 A C 1.199 178.816 177.584 0.056 0.000 1.152 342 A CA 0.294 52.361 52.037 0.051 0.000 0.708 342 A CB 0.121 19.150 19.000 0.048 0.000 0.805 342 A HN 0.097 nan 8.150 nan 0.000 0.460 343 I N 1.007 121.630 120.570 0.089 0.000 2.595 343 I HA 0.194 4.365 4.170 0.001 0.000 0.275 343 I C -1.990 174.157 176.117 0.050 0.000 1.092 343 I CA -1.538 59.789 61.300 0.045 0.000 1.145 343 I CB 1.028 39.029 38.000 0.001 0.000 1.276 343 I HN 0.068 nan 8.210 nan 0.000 0.497 344 P HA -0.045 nan 4.420 nan 0.000 0.223 344 P C 0.405 177.722 177.300 0.029 0.000 1.151 344 P CA 1.176 64.299 63.100 0.038 0.000 0.787 344 P CB 0.335 32.051 31.700 0.026 0.000 0.788 345 D N 0.579 120.972 120.400 -0.011 0.000 2.607 345 D HA 0.223 4.863 4.640 0.001 0.000 0.318 345 D C -1.885 174.355 176.300 -0.100 0.000 1.212 345 D CA -1.247 52.743 54.000 -0.016 0.000 0.861 345 D CB 0.312 nan 40.800 nan 0.000 1.064 345 D HN 0.110 nan 8.370 nan 0.000 0.500 346 P HA -0.082 nan 4.420 nan 0.000 0.226 346 P C 0.263 177.280 177.300 -0.471 0.000 1.153 346 P CA 0.837 63.659 63.100 -0.464 0.000 0.777 346 P CB -0.084 31.251 31.700 -0.608 0.000 0.794 347 H N -0.823 118.192 119.070 -0.092 0.000 2.660 347 H HA 0.211 4.768 4.556 0.001 0.000 0.310 347 H C 0.796 176.091 175.328 -0.056 0.000 1.080 347 H CA 0.093 56.100 56.048 -0.069 0.000 1.145 347 H CB -0.628 29.101 29.762 -0.055 0.000 1.432 347 H HN 0.055 nan 8.280 nan 0.000 0.542 348 N N 0.331 119.019 118.700 -0.020 0.000 2.240 348 N HA 0.100 4.841 4.740 0.001 0.000 0.240 348 N C -1.063 174.430 175.510 -0.029 0.000 1.277 348 N CA -0.026 53.018 53.050 -0.011 0.000 0.873 348 N CB 0.570 39.051 38.487 -0.011 0.000 1.222 348 N HN 0.162 nan 8.380 nan 0.000 0.507 349 L N 0.880 122.072 121.223 -0.051 0.000 2.307 349 L HA 0.470 4.811 4.340 0.001 0.000 0.282 349 L C 0.019 176.882 176.870 -0.013 0.000 1.051 349 L CA -0.589 54.219 54.840 -0.053 0.000 0.804 349 L CB 1.601 43.596 42.059 -0.108 0.000 1.197 349 L HN -0.004 nan 8.230 nan 0.000 0.431 350 T N 4.216 118.764 114.554 -0.009 0.000 2.817 350 T HA 0.537 4.887 4.350 0.001 0.000 0.293 350 T C -0.169 174.528 174.700 -0.007 0.000 0.964 350 T CA -0.376 61.725 62.100 0.000 0.000 1.085 350 T CB 0.763 69.632 68.868 0.002 0.000 0.921 350 T HN 0.170 nan 8.240 nan 0.000 0.502 351 L N 3.926 125.139 121.223 -0.016 0.000 2.329 351 L HA 0.664 5.005 4.340 0.001 0.000 0.279 351 L C 0.472 177.282 176.870 -0.099 0.000 1.014 351 L CA -0.558 54.254 54.840 -0.046 0.000 0.814 351 L CB 1.320 43.347 42.059 -0.054 0.000 1.257 351 L HN 0.418 nan 8.230 nan 0.000 0.424 352 R N 0.842 121.264 120.500 -0.130 0.000 2.725 352 R HA 0.787 5.127 4.340 0.001 0.000 0.277 352 R C -1.243 174.847 176.300 -0.350 0.000 0.987 352 R CA -0.840 55.091 56.100 -0.282 0.000 0.901 352 R CB 2.622 32.719 30.300 -0.338 0.000 1.207 352 R HN 0.532 nan 8.270 nan 0.000 0.463 353 T N 2.182 116.415 114.554 -0.535 0.000 2.824 353 T HA 0.552 4.902 4.350 0.001 0.000 0.282 353 T C -1.065 173.229 174.700 -0.677 0.000 0.993 353 T CA -0.428 61.340 62.100 -0.555 0.000 0.967 353 T CB 0.740 69.105 68.868 -0.838 0.000 0.960 353 T HN 0.220 nan 8.240 nan 0.000 0.441 354 F N 1.413 121.231 119.950 -0.221 0.000 2.508 354 F HA 0.693 5.221 4.527 0.001 0.000 0.325 354 F C -0.186 175.539 175.800 -0.126 0.000 1.090 354 F CA -0.976 56.942 58.000 -0.137 0.000 0.945 354 F CB 1.830 40.781 39.000 -0.081 0.000 1.156 354 F HN 0.168 nan 8.300 nan 0.000 0.463 355 V N 3.010 122.990 119.914 0.110 0.000 2.483 355 V HA 0.258 4.378 4.120 0.001 0.000 0.297 355 V C -0.239 175.916 176.094 0.102 0.000 1.027 355 V CA -1.288 61.066 62.300 0.090 0.000 0.855 355 V CB 1.446 33.327 31.823 0.097 0.000 0.995 355 V HN 0.867 nan 8.190 nan 0.000 0.424 356 N N 3.941 122.690 118.700 0.082 0.000 2.678 356 N HA -0.267 4.473 4.740 0.001 0.000 0.249 356 N C 1.245 176.791 175.510 0.060 0.000 1.119 356 N CA 1.732 54.818 53.050 0.059 0.000 0.718 356 N CB -0.963 37.556 38.487 0.052 0.000 1.060 356 N HN 1.547 nan 8.380 nan 0.000 0.552 357 G N -0.412 108.444 108.800 0.093 0.000 2.234 357 G HA2 -0.338 3.622 3.960 0.001 0.000 0.235 357 G HA3 -0.338 3.622 3.960 0.001 0.000 0.235 357 G C -0.266 174.752 174.900 0.195 0.000 0.997 357 G CA 0.393 45.537 45.100 0.073 0.000 0.623 357 G HN 0.614 nan 8.290 nan 0.000 0.514 358 E N 1.129 121.436 120.200 0.178 0.000 2.180 358 E HA 0.423 4.773 4.350 0.001 0.000 0.283 358 E C 0.382 177.090 176.600 0.181 0.000 1.061 358 E CA -0.827 55.674 56.400 0.169 0.000 0.861 358 E CB 0.485 30.241 29.700 0.094 0.000 1.056 358 E HN 0.381 nan 8.360 nan 0.000 0.407 359 L N 5.397 126.726 121.223 0.177 0.000 2.490 359 L HA -0.002 4.338 4.340 0.001 0.000 0.274 359 L C 0.702 177.486 176.870 -0.144 0.000 1.201 359 L CA 0.898 55.630 54.840 -0.180 0.000 0.869 359 L CB 0.340 42.279 42.059 -0.201 0.000 1.123 359 L HN 0.661 nan 8.230 nan 0.000 0.484 360 R N 2.380 122.745 120.500 -0.225 0.000 2.568 360 R HA 0.201 4.541 4.340 0.001 0.000 0.254 360 R C -0.331 175.929 176.300 -0.068 0.000 0.925 360 R CA -0.141 55.911 56.100 -0.080 0.000 1.025 360 R CB 0.729 31.049 30.300 0.034 0.000 1.428 360 R HN 0.728 nan 8.270 nan 0.000 0.573 361 Q N 1.031 120.707 119.800 -0.206 0.000 2.305 361 Q HA 0.293 4.633 4.340 0.001 0.000 0.271 361 Q C -1.774 174.098 176.000 -0.214 0.000 1.046 361 Q CA -0.422 55.296 55.803 -0.142 0.000 0.798 361 Q CB 2.600 31.279 28.738 -0.099 0.000 1.286 361 Q HN -0.041 nan 8.270 nan 0.000 0.435 362 Q N 2.057 121.772 119.800 -0.142 0.000 2.309 362 Q HA 0.764 5.105 4.340 0.001 0.000 0.273 362 Q C -1.637 174.312 176.000 -0.086 0.000 1.040 362 Q CA -0.573 55.151 55.803 -0.131 0.000 0.834 362 Q CB 2.181 30.852 28.738 -0.113 0.000 1.345 362 Q HN 0.830 nan 8.270 nan 0.000 0.414 363 G N 0.456 109.214 108.800 -0.070 0.000 2.645 363 G HA2 0.606 4.567 3.960 0.001 0.000 0.292 363 G HA3 0.606 4.567 3.960 0.001 0.000 0.292 363 G C -1.674 173.251 174.900 0.042 0.000 1.415 363 G CA -0.288 44.802 45.100 -0.016 0.000 0.785 363 G HN 0.427 nan 8.290 nan 0.000 0.483 364 T N -1.797 112.836 114.554 0.133 0.000 2.916 364 T HA 0.480 4.830 4.350 0.001 0.000 0.298 364 T C 1.451 176.269 174.700 0.196 0.000 1.031 364 T CA 0.641 62.812 62.100 0.119 0.000 0.993 364 T CB 1.330 70.235 68.868 0.063 0.000 1.045 364 T HN 1.201 nan 8.240 nan 0.000 0.454 365 T N 1.656 116.285 114.554 0.125 0.000 3.139 365 T HA 0.064 4.414 4.350 0.001 0.000 0.267 365 T C 2.055 176.771 174.700 0.028 0.000 1.164 365 T CA 0.884 63.022 62.100 0.064 0.000 1.075 365 T CB -0.400 68.449 68.868 -0.032 0.000 0.904 365 T HN 0.709 nan 8.240 nan 0.000 0.540 366 A N 1.620 124.465 122.820 0.041 0.000 2.121 366 A HA -0.014 4.306 4.320 0.001 0.000 0.218 366 A C 1.902 179.467 177.584 -0.032 0.000 1.154 366 A CA 1.160 53.210 52.037 0.022 0.000 0.679 366 A CB -0.346 18.664 19.000 0.016 0.000 0.795 366 A HN 0.455 nan 8.150 nan 0.000 0.458 367 D N -0.564 119.809 120.400 -0.044 0.000 2.349 367 D HA 0.172 4.812 4.640 0.001 0.000 0.214 367 D C 0.265 176.352 176.300 -0.354 0.000 1.063 367 D CA -0.049 53.893 54.000 -0.097 0.000 0.847 367 D CB -0.060 40.793 40.800 0.089 0.000 0.933 367 D HN 0.370 nan 8.370 nan 0.000 0.513 368 L N 1.207 122.141 121.223 -0.481 0.000 2.601 368 L HA -0.003 4.338 4.340 0.001 0.000 0.277 368 L C 1.732 178.393 176.870 -0.349 0.000 1.219 368 L CA -0.114 54.397 54.840 -0.548 0.000 0.915 368 L CB 0.838 42.742 42.059 -0.258 0.000 1.160 368 L HN -0.099 nan 8.230 nan 0.000 0.494 369 I N 2.462 122.812 120.570 -0.368 0.000 2.235 369 I HA -0.124 4.046 4.170 0.001 0.000 0.241 369 I C 0.401 176.131 176.117 -0.645 0.000 1.085 369 I CA 0.977 61.986 61.300 -0.484 0.000 1.378 369 I CB 0.043 37.726 38.000 -0.528 0.000 1.076 369 I HN 0.303 nan 8.210 nan 0.000 0.415 370 F N 1.726 121.513 119.950 -0.271 0.000 2.405 370 F HA 0.231 4.758 4.527 0.001 0.000 0.355 370 F C 1.020 176.746 175.800 -0.123 0.000 1.121 370 F CA -1.056 56.734 58.000 -0.350 0.000 1.112 370 F CB 0.740 39.569 39.000 -0.286 0.000 1.126 370 F HN -0.060 nan 8.300 nan 0.000 0.481 371 S N 1.734 117.479 115.700 0.074 0.000 2.608 371 S HA 0.220 4.690 4.470 0.001 0.000 0.261 371 S C 1.126 175.922 174.600 0.326 0.000 1.314 371 S CA -0.835 57.455 58.200 0.149 0.000 0.992 371 S CB 1.095 64.249 63.200 -0.077 0.000 0.935 371 S HN 0.390 nan 8.310 nan 0.000 0.564 372 V N 2.154 122.362 119.914 0.491 0.000 2.252 372 V HA -0.094 4.026 4.120 0.001 0.000 0.249 372 V C -0.468 175.770 176.094 0.241 0.000 1.056 372 V CA 2.078 64.564 62.300 0.312 0.000 1.022 372 V CB -1.943 30.038 31.823 0.263 0.000 0.641 372 V HN 0.807 nan 8.190 nan 0.000 0.445 373 P HA -0.156 nan 4.420 nan 0.000 0.219 373 P C 1.763 179.148 177.300 0.141 0.000 1.150 373 P CA 1.331 64.525 63.100 0.156 0.000 0.814 373 P CB -0.163 31.621 31.700 0.141 0.000 0.787 374 F N 1.010 121.000 119.950 0.066 0.000 2.095 374 F HA -0.181 4.347 4.527 0.001 0.000 0.298 374 F C 2.177 178.015 175.800 0.063 0.000 1.104 374 F CA 1.527 59.571 58.000 0.072 0.000 1.232 374 F CB -0.978 38.089 39.000 0.111 0.000 0.987 374 F HN -0.291 nan 8.300 nan 0.000 0.475 375 L N -0.228 121.181 121.223 0.309 0.000 2.046 375 L HA -0.230 4.111 4.340 0.001 0.000 0.208 375 L C 2.462 179.327 176.870 -0.008 0.000 1.077 375 L CA 1.372 56.307 54.840 0.158 0.000 0.747 375 L CB -0.649 41.495 42.059 0.141 0.000 0.896 375 L HN 0.172 nan 8.230 nan 0.000 0.432 376 I N -0.241 120.307 120.570 -0.037 0.000 2.226 376 I HA -0.290 3.880 4.170 0.001 0.000 0.245 376 I C 2.768 178.759 176.117 -0.211 0.000 1.100 376 I CA 1.183 62.401 61.300 -0.137 0.000 1.374 376 I CB -0.441 37.511 38.000 -0.080 0.000 1.057 376 I HN 0.207 nan 8.210 nan 0.000 0.413 377 A N 0.130 122.835 122.820 -0.191 0.000 1.898 377 A HA -0.271 4.049 4.320 0.001 0.000 0.216 377 A C 2.279 179.694 177.584 -0.281 0.000 1.181 377 A CA 1.437 53.327 52.037 -0.246 0.000 0.620 377 A CB -1.015 17.844 19.000 -0.235 0.000 0.819 377 A HN 0.495 nan 8.150 nan 0.000 0.442 378 Y N 0.713 120.757 120.300 -0.428 0.000 2.053 378 Y HA -0.255 4.295 4.550 0.001 0.000 0.277 378 Y C 2.014 177.756 175.900 -0.264 0.000 1.159 378 Y CA 2.192 60.078 58.100 -0.357 0.000 1.125 378 Y CB -0.514 37.737 38.460 -0.349 0.000 0.969 378 Y HN 0.219 nan 8.280 nan 0.000 0.492 379 L N -0.185 120.804 121.223 -0.390 0.000 2.017 379 L HA -0.233 4.108 4.340 0.001 0.000 0.208 379 L C 2.726 179.027 176.870 -0.949 0.000 1.073 379 L CA 1.769 56.126 54.840 -0.805 0.000 0.745 379 L CB -0.977 40.649 42.059 -0.720 0.000 0.894 379 L HN 0.404 nan 8.230 nan 0.000 0.432 380 S N -1.106 114.243 115.700 -0.585 0.000 2.474 380 S HA -0.197 4.274 4.470 0.001 0.000 0.235 380 S C 1.849 176.200 174.600 -0.416 0.000 0.997 380 S CA 0.933 58.848 58.200 -0.475 0.000 0.949 380 S CB -0.325 62.645 63.200 -0.384 0.000 0.766 380 S HN 0.421 nan 8.310 nan 0.000 0.517 381 E N 1.483 121.443 120.200 -0.400 0.000 2.204 381 E HA -0.138 4.213 4.350 0.001 0.000 0.195 381 E C 1.237 177.738 176.600 -0.164 0.000 0.990 381 E CA 1.268 57.520 56.400 -0.246 0.000 0.821 381 E CB -0.123 29.460 29.700 -0.195 0.000 0.750 381 E HN 0.888 nan 8.360 nan 0.000 0.477 382 F N -0.776 118.996 119.950 -0.296 0.000 2.767 382 F HA 0.373 4.900 4.527 0.001 0.000 0.323 382 F C 0.447 176.105 175.800 -0.236 0.000 1.091 382 F CA -0.756 57.084 58.000 -0.266 0.000 1.192 382 F CB 0.086 38.908 39.000 -0.297 0.000 1.056 382 F HN -0.188 nan 8.300 nan 0.000 0.571 383 M N -0.068 119.176 119.600 -0.593 0.000 2.520 383 M HA 0.517 4.998 4.480 0.001 0.000 0.280 383 M C -1.286 174.837 176.300 -0.295 0.000 1.232 383 M CA -0.670 54.410 55.300 -0.366 0.000 0.892 383 M CB 1.941 34.347 32.600 -0.322 0.000 1.728 383 M HN -0.215 nan 8.290 nan 0.000 0.475 384 T N 3.359 117.826 114.554 -0.146 0.000 2.851 384 T HA 0.491 4.841 4.350 0.001 0.000 0.298 384 T C -0.067 174.600 174.700 -0.055 0.000 0.977 384 T CA -0.307 61.736 62.100 -0.094 0.000 1.126 384 T CB 0.176 69.036 68.868 -0.013 0.000 0.916 384 T HN 0.446 nan 8.240 nan 0.000 0.529 385 L N 4.272 125.443 121.223 -0.087 0.000 2.312 385 L HA 0.453 4.793 4.340 0.001 0.000 0.281 385 L C 0.392 177.285 176.870 0.038 0.000 1.070 385 L CA -0.671 54.151 54.840 -0.030 0.000 0.805 385 L CB 0.830 42.823 42.059 -0.111 0.000 1.174 385 L HN 0.628 nan 8.230 nan 0.000 0.434 386 N N 2.609 121.357 118.700 0.079 0.000 2.292 386 N HA 0.449 5.189 4.740 0.001 0.000 0.303 386 N C -2.698 172.866 175.510 0.090 0.000 1.140 386 N CA -1.464 51.655 53.050 0.116 0.000 0.788 386 N CB 1.659 40.259 38.487 0.189 0.000 1.361 386 N HN 0.297 nan 8.380 nan 0.000 0.489 387 P HA 0.044 nan 4.420 nan 0.000 0.262 387 P C 0.689 178.035 177.300 0.076 0.000 1.182 387 P CA 1.034 64.181 63.100 0.078 0.000 0.761 387 P CB 0.455 32.204 31.700 0.081 0.000 0.795 388 G N 2.269 111.109 108.800 0.066 0.000 2.279 388 G HA2 -0.189 3.771 3.960 0.001 0.000 0.223 388 G HA3 -0.189 3.771 3.960 0.001 0.000 0.223 388 G C 0.003 174.937 174.900 0.058 0.000 1.015 388 G CA -0.314 44.835 45.100 0.082 0.000 0.621 388 G HN 0.498 nan 8.290 nan 0.000 0.506 389 D N 1.104 121.529 120.400 0.042 0.000 2.449 389 D HA 0.506 5.147 4.640 0.001 0.000 0.236 389 D C 0.793 177.161 176.300 0.113 0.000 1.149 389 D CA 0.798 54.844 54.000 0.076 0.000 0.878 389 D CB 0.513 41.413 40.800 0.165 0.000 1.198 389 D HN 0.409 nan 8.370 nan 0.000 0.446 390 M N 1.300 120.992 119.600 0.154 0.000 2.393 390 M HA 0.456 4.936 4.480 0.001 0.000 0.299 390 M C -0.689 175.736 176.300 0.208 0.000 1.103 390 M CA -0.518 54.870 55.300 0.146 0.000 0.910 390 M CB 2.294 34.971 32.600 0.127 0.000 1.659 390 M HN 0.099 nan 8.290 nan 0.000 0.445 391 I N 2.296 122.950 120.570 0.140 0.000 2.411 391 I HA 0.502 4.672 4.170 0.001 0.000 0.284 391 I C -0.141 176.035 176.117 0.098 0.000 1.012 391 I CA -0.747 60.629 61.300 0.126 0.000 1.119 391 I CB 1.680 39.708 38.000 0.047 0.000 1.261 391 I HN 0.760 nan 8.210 nan 0.000 0.448 392 A N 3.804 126.671 122.820 0.077 0.000 2.347 392 A HA 0.358 4.679 4.320 0.001 0.000 0.287 392 A C 1.197 178.833 177.584 0.086 0.000 1.199 392 A CA -0.292 51.788 52.037 0.072 0.000 0.851 392 A CB -0.022 19.003 19.000 0.042 0.000 1.118 392 A HN 0.840 nan 8.150 nan 0.000 0.525 393 T N 0.231 114.860 114.554 0.125 0.000 3.148 393 T HA 0.456 4.806 4.350 0.001 0.000 0.253 393 T C 0.990 175.829 174.700 0.233 0.000 1.134 393 T CA 0.685 62.876 62.100 0.152 0.000 1.051 393 T CB -0.593 68.357 68.868 0.136 0.000 0.959 393 T HN 2.359 nan 8.240 nan 0.000 0.525 394 G N -0.539 108.415 108.800 0.257 0.000 2.434 394 G HA2 0.255 4.216 3.960 0.001 0.000 0.671 394 G HA3 0.255 4.216 3.960 0.001 0.000 0.671 394 G C -0.782 174.290 174.900 0.286 0.000 1.280 394 G CA -0.436 44.865 45.100 0.335 0.000 0.975 394 G HN 0.573 nan 8.290 nan 0.000 0.510 395 T N 1.563 116.170 114.554 0.088 0.000 2.909 395 T HA 0.799 5.150 4.350 0.001 0.000 0.299 395 T C -2.601 171.668 174.700 -0.719 0.000 1.073 395 T CA -0.758 61.155 62.100 -0.313 0.000 0.999 395 T CB 2.249 71.080 68.868 -0.062 0.000 1.098 395 T HN 0.544 nan 8.240 nan 0.000 0.477 396 P HA 0.356 nan 4.420 nan 0.000 0.279 396 P C -0.593 176.574 177.300 -0.222 0.000 1.282 396 P CA -0.525 62.192 63.100 -0.638 0.000 0.788 396 P CB 0.323 31.738 31.700 -0.475 0.000 1.139 397 K N -1.434 118.910 120.400 -0.094 0.000 2.230 397 K HA 0.475 4.795 4.320 0.001 0.000 0.253 397 K C 0.940 177.511 176.600 -0.048 0.000 1.008 397 K CA 0.311 56.567 56.287 -0.051 0.000 0.910 397 K CB -0.906 31.588 32.500 -0.010 0.000 0.994 397 K HN 1.100 nan 8.250 nan 0.000 0.495 398 G N 0.618 109.392 108.800 -0.044 0.000 2.842 398 G HA2 -0.140 3.821 3.960 0.001 0.000 0.242 398 G HA3 -0.140 3.821 3.960 0.001 0.000 0.242 398 G C -0.472 174.443 174.900 0.026 0.000 1.135 398 G CA -0.391 44.703 45.100 -0.008 0.000 1.048 398 G HN 0.420 nan 8.290 nan 0.000 0.530 399 L N 0.481 121.650 121.223 -0.090 0.000 2.360 399 L HA 0.911 5.252 4.340 0.001 0.000 0.271 399 L C 0.757 177.546 176.870 -0.135 0.000 1.057 399 L CA -0.426 54.253 54.840 -0.267 0.000 0.803 399 L CB 1.958 43.684 42.059 -0.554 0.000 1.207 399 L HN 0.664 nan 8.230 nan 0.000 0.445 400 S N -1.142 114.405 115.700 -0.255 0.000 2.596 400 S HA 0.361 4.832 4.470 0.001 0.000 0.270 400 S C -1.278 173.241 174.600 -0.136 0.000 1.155 400 S CA -1.091 57.113 58.200 0.007 0.000 0.827 400 S CB 1.756 65.030 63.200 0.123 0.000 1.130 400 S HN 0.623 nan 8.310 nan 0.000 0.467 401 D N 0.514 120.921 120.400 0.012 0.000 2.389 401 D HA 0.439 5.080 4.640 0.001 0.000 0.247 401 D C -0.051 176.238 176.300 -0.019 0.000 1.128 401 D CA 0.034 53.964 54.000 -0.118 0.000 0.884 401 D CB 1.030 41.889 40.800 0.098 0.000 1.194 401 D HN 0.798 nan 8.370 nan 0.000 0.441 402 V N 1.726 121.611 119.914 -0.048 0.000 2.735 402 V HA 0.833 4.954 4.120 0.001 0.000 0.310 402 V C -0.267 175.818 176.094 -0.015 0.000 1.061 402 V CA -0.833 61.489 62.300 0.036 0.000 0.913 402 V CB 1.346 33.252 31.823 0.139 0.000 1.005 402 V HN 0.468 nan 8.190 nan 0.000 0.428 403 V N 0.165 120.082 119.914 0.005 0.000 3.130 403 V HA 0.804 4.924 4.120 0.001 0.000 0.310 403 V C -2.914 173.174 176.094 -0.009 0.000 1.158 403 V CA -2.857 59.435 62.300 -0.014 0.000 1.029 403 V CB 1.701 33.525 31.823 0.001 0.000 1.057 403 V HN 0.742 nan 8.190 nan 0.000 0.436 404 P HA 0.289 nan 4.420 nan 0.000 0.265 404 P C 1.032 178.333 177.300 0.002 0.000 1.187 404 P CA 2.085 65.177 63.100 -0.014 0.000 0.766 404 P CB 0.626 32.316 31.700 -0.015 0.000 0.820 405 G N 1.711 110.515 108.800 0.006 0.000 2.241 405 G HA2 -0.208 3.752 3.960 0.001 0.000 0.244 405 G HA3 -0.208 3.752 3.960 0.001 0.000 0.244 405 G C -0.066 174.849 174.900 0.025 0.000 0.998 405 G CA -0.187 44.921 45.100 0.014 0.000 0.621 405 G HN 0.521 nan 8.290 nan 0.000 0.519 406 D N 1.409 121.828 120.400 0.032 0.000 2.417 406 D HA 0.390 5.030 4.640 0.001 0.000 0.250 406 D C 0.487 176.825 176.300 0.063 0.000 1.166 406 D CA 0.237 54.268 54.000 0.053 0.000 0.881 406 D CB 0.992 41.833 40.800 0.069 0.000 1.164 406 D HN 0.530 nan 8.370 nan 0.000 0.467 407 E N 2.201 122.438 120.200 0.062 0.000 2.089 407 E HA 0.259 4.610 4.350 0.001 0.000 0.284 407 E C -1.109 175.541 176.600 0.083 0.000 1.023 407 E CA -0.621 55.818 56.400 0.065 0.000 0.819 407 E CB 0.612 30.338 29.700 0.043 0.000 1.076 407 E HN 0.083 nan 8.360 nan 0.000 0.396 408 V N 5.436 125.414 119.914 0.107 0.000 2.370 408 V HA 0.263 4.384 4.120 0.001 0.000 0.279 408 V C -0.158 175.974 176.094 0.063 0.000 1.029 408 V CA -0.756 61.603 62.300 0.099 0.000 0.870 408 V CB 1.422 33.357 31.823 0.187 0.000 0.984 408 V HN 0.451 nan 8.190 nan 0.000 0.451 409 V N 6.019 125.964 119.914 0.052 0.000 2.409 409 V HA 0.502 4.623 4.120 0.001 0.000 0.291 409 V C -0.154 175.968 176.094 0.047 0.000 1.020 409 V CA -0.622 61.721 62.300 0.071 0.000 0.848 409 V CB 2.044 33.934 31.823 0.112 0.000 0.990 409 V HN 0.747 nan 8.190 nan 0.000 0.430 410 V N 2.086 122.003 119.914 0.005 0.000 2.483 410 V HA 0.802 4.923 4.120 0.001 0.000 0.295 410 V C -0.493 175.617 176.094 0.027 0.000 1.035 410 V CA -0.548 61.735 62.300 -0.028 0.000 0.896 410 V CB 1.696 33.477 31.823 -0.070 0.000 0.986 410 V HN 0.963 nan 8.190 nan 0.000 0.447 411 E N 2.951 123.172 120.200 0.034 0.000 2.256 411 E HA 0.690 5.040 4.350 0.001 0.000 0.268 411 E C -1.932 174.683 176.600 0.025 0.000 0.877 411 E CA -0.755 55.680 56.400 0.059 0.000 0.757 411 E CB 2.497 32.281 29.700 0.141 0.000 1.183 411 E HN 0.689 nan 8.360 nan 0.000 0.418 412 V N 4.518 124.445 119.914 0.022 0.000 2.349 412 V HA 0.165 4.286 4.120 0.001 0.000 0.284 412 V C -0.171 175.928 176.094 0.009 0.000 1.014 412 V CA -0.882 61.423 62.300 0.008 0.000 0.826 412 V CB 1.352 33.178 31.823 0.004 0.000 1.009 412 V HN 0.742 nan 8.190 nan 0.000 0.431 413 E N 3.046 123.250 120.200 0.008 0.000 2.820 413 E HA 0.051 4.402 4.350 0.001 0.000 0.251 413 E C 1.360 177.956 176.600 -0.007 0.000 0.944 413 E CA 1.518 57.922 56.400 0.007 0.000 0.955 413 E CB 0.607 30.309 29.700 0.003 0.000 0.904 413 E HN 1.107 nan 8.360 nan 0.000 0.513 414 G N 2.280 111.081 108.800 0.002 0.000 2.199 414 G HA2 -0.298 3.662 3.960 0.001 0.000 0.254 414 G HA3 -0.298 3.662 3.960 0.001 0.000 0.254 414 G C 0.808 175.713 174.900 0.008 0.000 0.982 414 G CA 0.327 45.426 45.100 -0.001 0.000 0.632 414 G HN 0.445 nan 8.290 nan 0.000 0.529 415 V N -0.723 119.198 119.914 0.012 0.000 2.996 415 V HA 0.708 4.828 4.120 0.001 0.000 0.235 415 V C 1.330 177.446 176.094 0.038 0.000 1.205 415 V CA 1.582 63.902 62.300 0.032 0.000 1.225 415 V CB 0.662 32.504 31.823 0.031 0.000 0.995 415 V HN 1.786 nan 8.190 nan 0.000 0.484 416 G N -0.083 108.736 108.800 0.032 0.000 2.316 416 G HA2 0.460 4.421 3.960 0.001 0.000 0.296 416 G HA3 0.460 4.421 3.960 0.001 0.000 0.296 416 G C -1.734 173.186 174.900 0.035 0.000 1.399 416 G CA -0.790 44.331 45.100 0.035 0.000 0.833 416 G HN 0.124 nan 8.290 nan 0.000 0.565 417 R N -0.238 120.282 120.500 0.034 0.000 2.476 417 R HA 0.628 4.968 4.340 0.001 0.000 0.305 417 R C -1.601 174.719 176.300 0.034 0.000 0.965 417 R CA -0.804 55.316 56.100 0.035 0.000 0.867 417 R CB 1.478 31.793 30.300 0.025 0.000 1.176 417 R HN 0.514 nan 8.270 nan 0.000 0.447 418 L N 5.730 126.974 121.223 0.034 0.000 2.316 418 L HA 0.438 4.778 4.340 0.001 0.000 0.280 418 L C -1.395 175.495 176.870 0.033 0.000 1.006 418 L CA -0.540 54.320 54.840 0.033 0.000 0.836 418 L CB 1.816 43.891 42.059 0.027 0.000 1.221 418 L HN 0.337 nan 8.230 nan 0.000 0.418 419 V N 5.082 125.019 119.914 0.038 0.000 2.472 419 V HA 0.597 4.717 4.120 0.001 0.000 0.290 419 V C -0.268 175.863 176.094 0.063 0.000 1.037 419 V CA -0.592 61.735 62.300 0.045 0.000 0.908 419 V CB 1.782 33.625 31.823 0.034 0.000 0.985 419 V HN 0.898 nan 8.190 nan 0.000 0.454 420 N N 3.042 121.794 118.700 0.087 0.000 2.277 420 N HA 0.557 5.298 4.740 0.001 0.000 0.286 420 N C -1.176 174.406 175.510 0.121 0.000 1.140 420 N CA -0.777 52.348 53.050 0.126 0.000 0.799 420 N CB 2.165 40.781 38.487 0.215 0.000 1.596 420 N HN 0.583 nan 8.380 nan 0.000 0.473 421 R N 2.404 122.959 120.500 0.092 0.000 2.439 421 R HA 0.500 4.840 4.340 0.001 0.000 0.310 421 R C -0.433 175.888 176.300 0.034 0.000 0.955 421 R CA -0.853 55.284 56.100 0.062 0.000 0.853 421 R CB 1.158 31.482 30.300 0.039 0.000 1.171 421 R HN 0.494 nan 8.270 nan 0.000 0.449 422 I N 4.424 125.006 120.570 0.020 0.000 2.529 422 I HA 0.145 4.316 4.170 0.001 0.000 0.284 422 I C 0.671 176.768 176.117 -0.033 0.000 1.082 422 I CA -0.085 61.188 61.300 -0.045 0.000 1.406 422 I CB 0.813 38.781 38.000 -0.054 0.000 1.405 422 I HN 0.381 nan 8.210 nan 0.000 0.548 423 V N 2.582 122.465 119.914 -0.051 0.000 3.102 423 V HA 0.746 4.866 4.120 0.001 0.000 0.312 423 V C 0.064 176.135 176.094 -0.038 0.000 1.135 423 V CA -0.875 61.405 62.300 -0.032 0.000 1.022 423 V CB 1.559 33.370 31.823 -0.020 0.000 1.056 423 V HN 0.832 nan 8.190 nan 0.000 0.436 424 S N 0.280 115.965 115.700 -0.024 0.000 2.645 424 S HA 0.359 4.829 4.470 0.001 0.000 0.266 424 S C 0.739 175.329 174.600 -0.016 0.000 1.258 424 S CA 0.194 58.382 58.200 -0.021 0.000 0.990 424 S CB 0.929 64.122 63.200 -0.012 0.000 0.967 424 S HN 0.856 nan 8.310 nan 0.000 0.556 425 E N 0.272 120.466 120.200 -0.011 0.000 2.118 425 E HA -0.209 4.142 4.350 0.001 0.000 0.195 425 E C 1.828 178.426 176.600 -0.003 0.000 0.992 425 E CA 1.483 57.881 56.400 -0.004 0.000 0.804 425 E CB -0.136 29.567 29.700 0.004 0.000 0.741 425 E HN 0.818 nan 8.360 nan 0.000 0.458 426 E N 0.473 120.672 120.200 -0.002 0.000 2.051 426 E HA -0.140 4.210 4.350 0.001 0.000 0.192 426 E C 1.992 178.591 176.600 -0.001 0.000 0.991 426 E CA 1.849 58.248 56.400 -0.001 0.000 0.799 426 E CB -0.355 29.345 29.700 0.000 0.000 0.748 426 E HN 0.025 nan 8.360 nan 0.000 0.449 427 T N 0.198 114.750 114.554 -0.003 0.000 2.720 427 T HA -0.144 4.206 4.350 0.001 0.000 0.268 427 T C 1.736 176.434 174.700 -0.003 0.000 1.037 427 T CA 1.580 63.678 62.100 -0.003 0.000 1.144 427 T CB -0.514 68.351 68.868 -0.004 0.000 0.864 427 T HN 0.362 nan 8.240 nan 0.000 0.444 428 A N 1.696 124.513 122.820 -0.005 0.000 2.121 428 A HA 0.012 4.332 4.320 0.001 0.000 0.218 428 A C 1.313 178.896 177.584 -0.001 0.000 1.154 428 A CA 0.692 52.727 52.037 -0.004 0.000 0.679 428 A CB -0.382 18.614 19.000 -0.007 0.000 0.795 428 A HN 0.697 nan 8.150 nan 0.000 0.458 429 K N 0.000 120.399 120.400 -0.001 0.000 2.780 429 K HA 0.000 4.320 4.320 0.001 0.000 0.191 429 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 429 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 429 K HN 0.000 nan 8.250 nan 0.000 0.543