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 3oxu_1_A DATA FIRST_RESID 0 DATA SEQUENCE EFRDAERLKH LIVTPSGAGE QNMIGMTPTV IAVHYLDETE QWEKFGLEKR DATA SEQUENCE QGALELIKKG YTQQLAFRQP SSAFAAFVKR APSTWLTAYV VKVFSLAVNL DATA SEQUENCE IAIDSQVLcG AVKWLILEKQ KPDGVFQEDA PVIHQEMIGG LRNNNEKDMA DATA SEQUENCE LTAFVLISLQ EAKDIcEEQV NSLPGSITKA GDFLEANYMN LQRSYTVAIA DATA SEQUENCE GYALAQMGRL KGPLLNKFLT TAKDKNRWED PGKQLYNVEA TSYALLALLQ DATA SEQUENCE LKDFDFVPPV VRWLNEQRYY GGGYGSTQAT FMVFQALAQY QKDAP 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 0 E HA 0.000 nan 4.350 nan 0.000 0.291 0 E C 0.000 176.595 176.600 -0.009 0.000 1.382 0 E CA 0.000 56.317 56.400 -0.139 0.000 0.976 0 E CB 0.000 29.570 29.700 -0.217 0.000 0.812 1 F N 2.043 122.074 119.950 0.135 0.000 2.399 1 F HA 0.688 5.215 4.527 -0.000 0.000 0.313 1 F C 0.299 176.236 175.800 0.228 0.000 1.202 1 F CA -1.165 56.961 58.000 0.209 0.000 1.192 1 F CB 0.268 39.353 39.000 0.141 0.000 1.256 1 F HN -0.102 nan 8.300 nan 0.000 0.558 2 R N 1.566 122.492 120.500 0.710 0.000 2.351 2 R HA 0.097 4.437 4.340 -0.000 0.000 0.318 2 R C -0.956 175.615 176.300 0.451 0.000 1.055 2 R CA -0.203 56.213 56.100 0.526 0.000 0.968 2 R CB -0.290 30.292 30.300 0.469 0.000 0.974 2 R HN 0.631 nan 8.270 nan 0.000 0.439 3 D N 2.308 122.886 120.400 0.298 0.000 2.458 3 D HA 0.011 4.651 4.640 -0.000 0.000 0.243 3 D C 0.860 177.094 176.300 -0.109 0.000 1.146 3 D CA 0.520 54.607 54.000 0.145 0.000 0.877 3 D CB 1.079 41.925 40.800 0.077 0.000 1.176 3 D HN 0.554 nan 8.370 nan 0.000 0.461 4 A N 3.788 126.444 122.820 -0.273 0.000 2.024 4 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 4 A C 1.921 179.108 177.584 -0.662 0.000 1.164 4 A CA 1.750 53.403 52.037 -0.640 0.000 0.643 4 A CB -0.563 17.849 19.000 -0.981 0.000 0.806 4 A HN 0.694 nan 8.150 nan 0.000 0.451 5 E N 0.100 120.101 120.200 -0.333 0.000 2.153 5 E HA -0.126 4.223 4.350 -0.000 0.000 0.194 5 E C 2.054 178.541 176.600 -0.188 0.000 0.988 5 E CA 0.973 57.279 56.400 -0.157 0.000 0.811 5 E CB -0.114 29.570 29.700 -0.027 0.000 0.746 5 E HN 0.466 nan 8.360 nan 0.000 0.466 6 R N -0.308 120.017 120.500 -0.292 0.000 2.280 6 R HA 0.032 4.372 4.340 -0.000 0.000 0.207 6 R C 1.534 177.671 176.300 -0.272 0.000 1.043 6 R CA 0.542 56.376 56.100 -0.443 0.000 1.006 6 R CB -0.057 29.646 30.300 -0.995 0.000 0.885 6 R HN 0.310 nan 8.270 nan 0.000 0.467 7 L N 0.903 121.937 121.223 -0.316 0.000 2.640 7 L HA 0.096 4.436 4.340 -0.000 0.000 0.230 7 L C 1.965 178.558 176.870 -0.462 0.000 1.123 7 L CA 0.042 54.627 54.840 -0.424 0.000 0.900 7 L CB 0.050 41.781 42.059 -0.547 0.000 1.146 7 L HN 0.100 nan 8.230 nan 0.000 0.484 8 K N 0.112 120.373 120.400 -0.231 0.000 2.209 8 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 8 K C 1.918 178.500 176.600 -0.029 0.000 1.048 8 K CA 1.517 57.764 56.287 -0.066 0.000 0.940 8 K CB -0.461 32.139 32.500 0.168 0.000 0.729 8 K HN 0.445 nan 8.250 nan 0.000 0.451 9 H N 1.071 120.122 119.070 -0.033 0.000 2.545 9 H HA 0.016 4.572 4.556 -0.000 0.000 0.282 9 H C 1.611 176.937 175.328 -0.005 0.000 1.020 9 H CA 0.650 56.695 56.048 -0.004 0.000 1.243 9 H CB -0.315 29.441 29.762 -0.009 0.000 1.377 9 H HN 0.247 nan 8.280 nan 0.000 0.581 10 L N 0.921 121.823 121.223 -0.535 0.000 2.478 10 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 10 L C 0.494 177.295 176.870 -0.115 0.000 1.140 10 L CA 0.090 54.725 54.840 -0.342 0.000 0.842 10 L CB 0.038 41.829 42.059 -0.447 0.000 0.953 10 L HN 0.115 nan 8.230 nan 0.000 0.452 11 I N 1.165 121.703 120.570 -0.053 0.000 2.308 11 I HA 0.187 4.357 4.170 -0.000 0.000 0.293 11 I C -0.089 176.062 176.117 0.057 0.000 1.078 11 I CA 0.404 61.729 61.300 0.041 0.000 1.292 11 I CB 0.811 38.877 38.000 0.110 0.000 1.423 11 I HN -0.247 nan 8.210 nan 0.000 0.493 12 V N 6.072 126.023 119.914 0.061 0.000 3.087 12 V HA 0.438 4.558 4.120 -0.000 0.000 0.306 12 V C -0.070 176.066 176.094 0.070 0.000 1.187 12 V CA -0.370 61.971 62.300 0.067 0.000 0.999 12 V CB 2.754 34.618 31.823 0.070 0.000 1.049 12 V HN 0.801 nan 8.190 nan 0.000 0.431 13 T N 7.515 122.109 114.554 0.066 0.000 2.779 13 T HA 0.363 4.713 4.350 -0.000 0.000 0.296 13 T C -2.511 172.232 174.700 0.071 0.000 0.938 13 T CA -0.386 61.754 62.100 0.066 0.000 1.119 13 T CB 0.795 69.698 68.868 0.059 0.000 0.891 13 T HN 0.680 nan 8.240 nan 0.000 0.526 14 P HA 0.392 nan 4.420 nan 0.000 0.275 14 P C -0.649 176.698 177.300 0.080 0.000 1.228 14 P CA -0.389 62.760 63.100 0.082 0.000 0.786 14 P CB 1.095 32.853 31.700 0.098 0.000 0.927 15 S N 0.502 116.244 115.700 0.071 0.000 2.565 15 S HA 0.714 5.183 4.470 -0.000 0.000 0.269 15 S C -0.430 174.204 174.600 0.057 0.000 1.153 15 S CA 0.478 58.722 58.200 0.073 0.000 0.835 15 S CB 0.968 64.207 63.200 0.064 0.000 1.122 15 S HN 1.029 nan 8.310 nan 0.000 0.462 16 G N 1.353 110.200 108.800 0.078 0.000 2.582 16 G HA2 0.428 4.388 3.960 -0.000 0.000 0.222 16 G HA3 0.428 4.388 3.960 -0.000 0.000 0.222 16 G C 0.148 175.071 174.900 0.038 0.000 1.311 16 G CA -0.069 45.063 45.100 0.053 0.000 0.915 16 G HN 1.657 nan 8.290 nan 0.000 0.528 17 A N -1.301 121.452 122.820 -0.113 0.000 2.829 17 A HA 0.828 5.148 4.320 -0.000 0.000 0.248 17 A C 2.231 179.191 177.584 -1.040 0.000 1.654 17 A CA 1.003 52.721 52.037 -0.532 0.000 0.860 17 A CB -0.355 18.427 19.000 -0.364 0.000 1.696 17 A HN 2.457 nan 8.150 nan 0.000 0.576 18 G N -1.206 106.541 108.800 -1.755 0.000 2.462 18 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.220 18 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.220 18 G C 1.138 175.786 174.900 -0.420 0.000 1.121 18 G CA 1.429 45.887 45.100 -1.071 0.000 0.758 18 G HN 0.774 nan 8.290 nan 0.000 0.559 19 E N -0.379 119.600 120.200 -0.369 0.000 2.079 19 E HA 0.004 4.353 4.350 -0.000 0.000 0.191 19 E C 2.633 179.126 176.600 -0.179 0.000 0.961 19 E CA 0.311 56.608 56.400 -0.172 0.000 0.823 19 E CB -0.085 29.563 29.700 -0.086 0.000 0.789 19 E HN 0.381 nan 8.360 nan 0.000 0.459 20 Q N 0.755 120.392 119.800 -0.272 0.000 2.170 20 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 20 Q C 1.906 177.847 176.000 -0.098 0.000 0.976 20 Q CA 1.118 56.783 55.803 -0.231 0.000 0.858 20 Q CB -0.163 28.422 28.738 -0.255 0.000 0.907 20 Q HN 0.126 nan 8.270 nan 0.000 0.433 21 N N 0.110 118.757 118.700 -0.090 0.000 2.104 21 N HA -0.162 4.577 4.740 -0.000 0.000 0.190 21 N C 1.580 177.117 175.510 0.046 0.000 1.024 21 N CA 1.253 54.308 53.050 0.009 0.000 0.853 21 N CB 0.106 38.626 38.487 0.056 0.000 1.008 21 N HN 0.087 nan 8.380 nan 0.000 0.424 22 M N 0.060 119.678 119.600 0.031 0.000 2.200 22 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 22 M C 1.970 178.369 176.300 0.166 0.000 1.066 22 M CA 0.847 56.210 55.300 0.105 0.000 1.127 22 M CB -0.887 31.790 32.600 0.129 0.000 1.379 22 M HN 0.254 nan 8.290 nan 0.000 0.420 23 I N -0.143 120.483 120.570 0.093 0.000 2.208 23 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 23 I C 2.452 178.628 176.117 0.099 0.000 1.097 23 I CA 1.509 62.856 61.300 0.079 0.000 1.363 23 I CB -0.854 37.129 38.000 -0.028 0.000 1.051 23 I HN 0.337 nan 8.210 nan 0.000 0.413 24 G N -0.027 108.820 108.800 0.077 0.000 2.403 24 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 24 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 24 G C 1.726 176.695 174.900 0.115 0.000 1.154 24 G CA 0.302 45.454 45.100 0.088 0.000 0.784 24 G HN 0.266 nan 8.290 nan 0.000 0.538 25 M N 0.679 120.359 119.600 0.133 0.000 2.254 25 M HA -0.029 4.450 4.480 -0.000 0.000 0.265 25 M C 2.546 178.954 176.300 0.180 0.000 1.066 25 M CA 1.372 56.762 55.300 0.151 0.000 1.123 25 M CB -0.225 32.475 32.600 0.166 0.000 1.388 25 M HN 0.193 nan 8.290 nan 0.000 0.425 26 T N 1.725 116.413 114.554 0.224 0.000 2.607 26 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 26 T C -0.897 173.959 174.700 0.260 0.000 1.049 26 T CA 1.872 64.166 62.100 0.322 0.000 1.162 26 T CB -1.606 67.506 68.868 0.406 0.000 0.863 26 T HN 0.374 nan 8.240 nan 0.000 0.424 27 P HA -0.055 nan 4.420 nan 0.000 0.215 27 P C 1.512 178.833 177.300 0.035 0.000 1.153 27 P CA 1.384 64.536 63.100 0.087 0.000 0.853 27 P CB -0.397 31.332 31.700 0.049 0.000 0.788 28 T N -0.053 114.543 114.554 0.070 0.000 2.777 28 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 28 T C 2.016 176.769 174.700 0.088 0.000 1.040 28 T CA 1.119 63.259 62.100 0.067 0.000 1.141 28 T CB -1.005 67.914 68.868 0.085 0.000 0.868 28 T HN -0.120 nan 8.240 nan 0.000 0.444 29 V N 1.191 121.174 119.914 0.116 0.000 2.261 29 V HA -0.123 3.996 4.120 -0.000 0.000 0.246 29 V C 2.381 178.529 176.094 0.090 0.000 1.047 29 V CA 1.359 63.732 62.300 0.123 0.000 1.015 29 V CB -0.526 31.401 31.823 0.173 0.000 0.642 29 V HN 0.333 nan 8.190 nan 0.000 0.446 30 I N 0.338 120.932 120.570 0.042 0.000 2.315 30 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 30 I C 2.381 178.491 176.117 -0.010 0.000 1.117 30 I CA 1.457 62.729 61.300 -0.048 0.000 1.404 30 I CB -0.702 37.211 38.000 -0.146 0.000 1.071 30 I HN 0.189 nan 8.210 nan 0.000 0.419 31 A N -0.524 122.240 122.820 -0.093 0.000 1.902 31 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 31 A C 2.406 179.970 177.584 -0.034 0.000 1.181 31 A CA 2.092 54.014 52.037 -0.192 0.000 0.623 31 A CB -1.162 17.692 19.000 -0.243 0.000 0.818 31 A HN 0.265 nan 8.150 nan 0.000 0.443 32 V N -0.470 119.515 119.914 0.120 0.000 2.343 32 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 32 V C 2.464 178.698 176.094 0.233 0.000 1.051 32 V CA 2.522 64.999 62.300 0.296 0.000 1.036 32 V CB -1.025 30.979 31.823 0.301 0.000 0.654 32 V HN 0.857 nan 8.190 nan 0.000 0.451 33 H N -0.784 118.335 119.070 0.081 0.000 2.319 33 H HA -0.286 4.270 4.556 -0.000 0.000 0.297 33 H C 2.129 177.486 175.328 0.048 0.000 1.097 33 H CA 2.659 58.740 56.048 0.055 0.000 1.285 33 H CB -0.373 29.395 29.762 0.011 0.000 1.368 33 H HN 0.506 nan 8.280 nan 0.000 0.495 34 Y N 0.298 120.544 120.300 -0.089 0.000 2.200 34 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 34 Y C 2.218 177.950 175.900 -0.279 0.000 1.137 34 Y CA 1.524 59.522 58.100 -0.170 0.000 1.163 34 Y CB -0.249 38.145 38.460 -0.110 0.000 0.988 34 Y HN 0.218 nan 8.280 nan 0.000 0.518 35 L N -0.326 120.712 121.223 -0.308 0.000 2.093 35 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 35 L C 2.036 178.637 176.870 -0.448 0.000 1.085 35 L CA 1.400 55.864 54.840 -0.626 0.000 0.755 35 L CB -0.653 40.751 42.059 -1.090 0.000 0.904 35 L HN 0.180 nan 8.230 nan 0.000 0.435 36 D N 0.049 120.410 120.400 -0.065 0.000 2.087 36 D HA -0.237 4.403 4.640 -0.000 0.000 0.192 36 D C 2.056 178.271 176.300 -0.143 0.000 0.993 36 D CA 1.359 55.394 54.000 0.057 0.000 0.828 36 D CB -0.085 40.765 40.800 0.082 0.000 0.968 36 D HN 0.189 nan 8.370 nan 0.000 0.448 37 E N 0.055 120.086 120.200 -0.282 0.000 2.077 37 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 37 E C 1.634 178.043 176.600 -0.318 0.000 0.989 37 E CA 1.847 58.071 56.400 -0.294 0.000 0.800 37 E CB -0.461 29.027 29.700 -0.353 0.000 0.746 37 E HN 0.337 nan 8.360 nan 0.000 0.452 38 T N -1.566 112.683 114.554 -0.509 0.000 3.219 38 T HA 0.096 4.446 4.350 -0.000 0.000 0.249 38 T C -0.108 174.315 174.700 -0.461 0.000 1.099 38 T CA 0.311 62.078 62.100 -0.554 0.000 0.988 38 T CB -0.583 67.699 68.868 -0.975 0.000 0.999 38 T HN 0.264 nan 8.240 nan 0.000 0.550 39 E N 1.128 121.148 120.200 -0.299 0.000 2.149 39 E HA -0.256 4.094 4.350 -0.000 0.000 0.191 39 E C 0.449 176.927 176.600 -0.203 0.000 1.384 39 E CA 0.290 56.594 56.400 -0.160 0.000 0.698 39 E CB -1.158 28.500 29.700 -0.070 0.000 1.086 39 E HN 0.738 nan 8.360 nan 0.000 0.338 40 Q N -1.415 118.163 119.800 -0.371 0.000 2.282 40 Q HA -0.003 4.336 4.340 -0.000 0.000 0.206 40 Q C 1.182 177.083 176.000 -0.164 0.000 0.878 40 Q CA 0.010 55.602 55.803 -0.351 0.000 0.944 40 Q CB 0.186 28.573 28.738 -0.586 0.000 1.100 40 Q HN 0.532 nan 8.270 nan 0.000 0.509 41 W N 1.427 122.716 121.300 -0.017 0.000 2.363 41 W HA -0.149 4.511 4.660 -0.000 0.000 0.296 41 W C 1.818 178.363 176.519 0.044 0.000 1.212 41 W CA 0.622 58.002 57.345 0.059 0.000 1.260 41 W CB 0.221 29.692 29.460 0.018 0.000 1.131 41 W HN 0.189 nan 8.180 nan 0.000 0.530 42 E N 0.509 120.847 120.200 0.229 0.000 2.049 42 E HA -0.254 4.095 4.350 -0.000 0.000 0.198 42 E C 1.907 178.577 176.600 0.116 0.000 1.007 42 E CA 1.769 58.250 56.400 0.135 0.000 0.809 42 E CB -0.373 29.378 29.700 0.085 0.000 0.749 42 E HN 0.156 nan 8.360 nan 0.000 0.450 43 K N -0.677 119.790 120.400 0.111 0.000 2.007 43 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 43 K C 2.112 178.802 176.600 0.150 0.000 1.047 43 K CA 1.019 57.370 56.287 0.107 0.000 0.937 43 K CB -0.298 32.260 32.500 0.096 0.000 0.718 43 K HN 0.096 nan 8.250 nan 0.000 0.438 44 F N 0.717 120.664 119.950 -0.006 0.000 2.095 44 F HA -0.001 4.525 4.527 -0.000 0.000 0.298 44 F C 0.655 176.499 175.800 0.074 0.000 1.104 44 F CA 1.896 59.890 58.000 -0.010 0.000 1.232 44 F CB -0.052 38.871 39.000 -0.128 0.000 0.987 44 F HN 0.215 nan 8.300 nan 0.000 0.475 45 G N 0.286 109.120 108.800 0.056 0.000 2.258 45 G HA2 0.058 4.018 3.960 -0.000 0.000 0.182 45 G HA3 0.058 4.018 3.960 -0.000 0.000 0.182 45 G C -0.040 174.931 174.900 0.119 0.000 1.790 45 G CA -0.225 44.849 45.100 -0.043 0.000 1.128 45 G HN 0.214 nan 8.290 nan 0.000 0.606 46 L N 1.354 122.645 121.223 0.112 0.000 2.189 46 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 46 L C 2.601 179.408 176.870 -0.105 0.000 1.097 46 L CA 2.777 57.634 54.840 0.027 0.000 0.764 46 L CB -0.443 41.616 42.059 0.000 0.000 0.900 46 L HN 0.773 nan 8.230 nan 0.000 0.436 47 E N -1.076 119.078 120.200 -0.077 0.000 2.268 47 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 47 E C 1.955 178.485 176.600 -0.116 0.000 0.995 47 E CA 0.918 57.259 56.400 -0.100 0.000 0.836 47 E CB -0.359 29.295 29.700 -0.076 0.000 0.763 47 E HN 0.368 nan 8.360 nan 0.000 0.491 48 K N 0.461 120.807 120.400 -0.090 0.000 2.288 48 K HA 0.034 4.354 4.320 -0.000 0.000 0.201 48 K C 2.104 178.633 176.600 -0.119 0.000 1.048 48 K CA 0.527 56.796 56.287 -0.030 0.000 0.956 48 K CB 0.001 32.532 32.500 0.051 0.000 0.746 48 K HN 0.009 nan 8.250 nan 0.000 0.461 49 R N 0.901 121.092 120.500 -0.515 0.000 2.075 49 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 49 R C 2.241 178.286 176.300 -0.424 0.000 1.126 49 R CA 1.458 56.980 56.100 -0.963 0.000 0.963 49 R CB 0.047 29.417 30.300 -1.550 0.000 0.858 49 R HN 0.013 nan 8.270 nan 0.000 0.435 50 Q N -0.239 119.384 119.800 -0.295 0.000 2.124 50 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 50 Q C 1.776 177.711 176.000 -0.108 0.000 0.977 50 Q CA 2.035 57.729 55.803 -0.181 0.000 0.850 50 Q CB -0.587 28.064 28.738 -0.144 0.000 0.901 50 Q HN 0.473 nan 8.270 nan 0.000 0.429 51 G N -0.254 108.497 108.800 -0.081 0.000 2.402 51 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 51 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 51 G C 1.477 176.375 174.900 -0.004 0.000 1.162 51 G CA 0.928 46.010 45.100 -0.031 0.000 0.777 51 G HN 0.506 nan 8.290 nan 0.000 0.539 52 A N 0.601 123.426 122.820 0.008 0.000 1.892 52 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 52 A C 2.359 179.960 177.584 0.027 0.000 1.188 52 A CA 1.656 53.730 52.037 0.061 0.000 0.631 52 A CB -0.588 18.508 19.000 0.160 0.000 0.822 52 A HN 0.309 nan 8.150 nan 0.000 0.447 53 L N -0.489 120.717 121.223 -0.029 0.000 2.079 53 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 53 L C 2.361 179.220 176.870 -0.019 0.000 1.081 53 L CA 2.294 57.113 54.840 -0.035 0.000 0.752 53 L CB -0.728 41.281 42.059 -0.083 0.000 0.896 53 L HN 0.450 nan 8.230 nan 0.000 0.433 54 E N -0.860 119.330 120.200 -0.017 0.000 2.106 54 E HA -0.137 4.212 4.350 -0.000 0.000 0.192 54 E C 2.239 178.852 176.600 0.022 0.000 0.984 54 E CA 0.921 57.319 56.400 -0.003 0.000 0.806 54 E CB -0.178 29.518 29.700 -0.007 0.000 0.750 54 E HN 0.420 nan 8.360 nan 0.000 0.458 55 L N -0.147 121.096 121.223 0.033 0.000 2.093 55 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 55 L C 2.267 179.177 176.870 0.066 0.000 1.085 55 L CA 0.779 55.651 54.840 0.053 0.000 0.755 55 L CB -0.366 41.730 42.059 0.061 0.000 0.904 55 L HN 0.177 nan 8.230 nan 0.000 0.435 56 I N 0.171 120.775 120.570 0.058 0.000 2.179 56 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 56 I C 2.681 178.835 176.117 0.063 0.000 1.088 56 I CA 1.339 62.677 61.300 0.063 0.000 1.357 56 I CB -0.258 37.766 38.000 0.040 0.000 1.051 56 I HN 0.193 nan 8.210 nan 0.000 0.409 57 K N 1.645 122.066 120.400 0.035 0.000 2.103 57 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 57 K C 2.118 178.787 176.600 0.115 0.000 1.048 57 K CA 1.680 58.000 56.287 0.055 0.000 0.930 57 K CB -0.144 32.366 32.500 0.018 0.000 0.716 57 K HN 0.103 nan 8.250 nan 0.000 0.444 58 K N -0.639 119.813 120.400 0.087 0.000 2.057 58 K HA -0.078 4.241 4.320 -0.000 0.000 0.206 58 K C 2.079 178.745 176.600 0.110 0.000 1.050 58 K CA 1.532 57.871 56.287 0.087 0.000 0.935 58 K CB -0.500 32.042 32.500 0.069 0.000 0.715 58 K HN 0.328 nan 8.250 nan 0.000 0.439 59 G N 0.229 109.104 108.800 0.126 0.000 2.446 59 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 59 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 59 G C 1.396 176.408 174.900 0.188 0.000 1.168 59 G CA 1.122 46.314 45.100 0.152 0.000 0.771 59 G HN 0.468 nan 8.290 nan 0.000 0.551 60 Y N 1.902 122.224 120.300 0.037 0.000 2.114 60 Y HA -0.146 4.404 4.550 -0.000 0.000 0.284 60 Y C 3.064 178.987 175.900 0.037 0.000 1.143 60 Y CA 2.370 60.446 58.100 -0.040 0.000 1.135 60 Y CB -0.599 37.707 38.460 -0.257 0.000 0.980 60 Y HN 0.184 nan 8.280 nan 0.000 0.499 61 T N 0.773 115.316 114.554 -0.018 0.000 2.746 61 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 61 T C 1.731 176.396 174.700 -0.059 0.000 1.039 61 T CA 1.899 63.940 62.100 -0.099 0.000 1.142 61 T CB -0.308 68.580 68.868 0.033 0.000 0.866 61 T HN 0.481 nan 8.240 nan 0.000 0.444 62 Q N 0.448 120.270 119.800 0.037 0.000 2.084 62 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 62 Q C 2.496 178.598 176.000 0.171 0.000 0.978 62 Q CA 1.322 57.181 55.803 0.094 0.000 0.844 62 Q CB -0.216 28.611 28.738 0.150 0.000 0.898 62 Q HN 0.368 nan 8.270 nan 0.000 0.426 63 Q N 0.939 120.856 119.800 0.195 0.000 2.170 63 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 63 Q C 1.743 177.946 176.000 0.339 0.000 0.976 63 Q CA 1.181 57.178 55.803 0.322 0.000 0.858 63 Q CB -0.154 28.740 28.738 0.259 0.000 0.907 63 Q HN 0.402 nan 8.270 nan 0.000 0.433 64 L N -0.485 120.793 121.223 0.091 0.000 2.265 64 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 64 L C 2.137 178.984 176.870 -0.038 0.000 1.117 64 L CA 0.796 55.659 54.840 0.039 0.000 0.782 64 L CB -0.696 41.273 42.059 -0.150 0.000 0.914 64 L HN 0.264 nan 8.230 nan 0.000 0.441 65 A N -0.485 122.237 122.820 -0.164 0.000 2.121 65 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 65 A C 1.512 178.734 177.584 -0.605 0.000 1.154 65 A CA 1.144 52.913 52.037 -0.446 0.000 0.679 65 A CB -0.470 18.133 19.000 -0.661 0.000 0.795 65 A HN 0.412 nan 8.150 nan 0.000 0.458 66 F N -0.812 119.185 119.950 0.079 0.000 2.653 66 F HA 0.292 4.819 4.527 -0.000 0.000 0.304 66 F C 0.933 176.680 175.800 -0.089 0.000 1.092 66 F CA -0.448 57.593 58.000 0.068 0.000 1.279 66 F CB 0.180 39.267 39.000 0.144 0.000 1.044 66 F HN 0.019 nan 8.300 nan 0.000 0.564 67 R N 2.336 122.754 120.500 -0.136 0.000 2.296 67 R HA 0.156 4.496 4.340 -0.000 0.000 0.323 67 R C 0.020 176.053 176.300 -0.445 0.000 1.067 67 R CA -0.026 55.645 56.100 -0.716 0.000 0.946 67 R CB 0.428 30.446 30.300 -0.470 0.000 0.991 67 R HN 0.317 nan 8.270 nan 0.000 0.448 68 Q N 4.647 124.144 119.800 -0.506 0.000 2.318 68 Q HA 0.149 4.488 4.340 -0.000 0.000 0.222 68 Q C -1.684 174.157 176.000 -0.265 0.000 1.003 68 Q CA -1.904 53.717 55.803 -0.303 0.000 0.936 68 Q CB 0.743 29.314 28.738 -0.279 0.000 1.204 68 Q HN 0.492 nan 8.270 nan 0.000 0.524 69 P HA -0.145 nan 4.420 nan 0.000 0.222 69 P C 0.983 178.214 177.300 -0.114 0.000 1.147 69 P CA 1.226 64.257 63.100 -0.115 0.000 0.790 69 P CB 0.134 31.795 31.700 -0.065 0.000 0.780 70 S N -2.531 113.073 115.700 -0.160 0.000 2.555 70 S HA 0.007 4.477 4.470 -0.000 0.000 0.230 70 S C 1.209 175.674 174.600 -0.225 0.000 0.978 70 S CA 0.718 58.833 58.200 -0.143 0.000 0.934 70 S CB -0.945 62.134 63.200 -0.202 0.000 0.766 70 S HN 0.023 nan 8.310 nan 0.000 0.533 71 S N -0.603 114.916 115.700 -0.302 0.000 2.857 71 S HA -0.142 4.328 4.470 -0.000 0.000 0.268 71 S C 0.502 174.784 174.600 -0.531 0.000 1.297 71 S CA 0.594 58.609 58.200 -0.309 0.000 1.280 71 S CB -2.061 61.095 63.200 -0.074 0.000 1.562 71 S HN 1.274 nan 8.310 nan 0.000 0.661 72 A N -0.070 122.238 122.820 -0.853 0.000 2.257 72 A HA 0.787 5.107 4.320 -0.000 0.000 0.289 72 A C -0.298 176.772 177.584 -0.856 0.000 1.095 72 A CA -0.022 51.400 52.037 -1.026 0.000 0.836 72 A CB 0.349 18.118 19.000 -2.052 0.000 1.111 72 A HN 0.299 nan 8.150 nan 0.000 0.497 73 F N -1.080 118.650 119.950 -0.367 0.000 2.546 73 F HA 0.697 5.224 4.527 -0.000 0.000 0.320 73 F C 0.537 176.265 175.800 -0.121 0.000 1.076 73 F CA 0.173 58.069 58.000 -0.173 0.000 0.928 73 F CB 2.378 41.302 39.000 -0.127 0.000 1.189 73 F HN 0.804 nan 8.300 nan 0.000 0.465 74 A N 0.726 123.609 122.820 0.105 0.000 2.564 74 A HA 0.770 5.090 4.320 -0.000 0.000 0.288 74 A C 0.377 177.913 177.584 -0.080 0.000 1.164 74 A CA -0.143 51.915 52.037 0.034 0.000 0.712 74 A CB 0.709 19.728 19.000 0.031 0.000 1.303 74 A HN 0.938 nan 8.150 nan 0.000 0.418 75 A N -0.439 122.218 122.820 -0.273 0.000 1.940 75 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 75 A C 0.282 177.318 177.584 -0.913 0.000 1.176 75 A CA 1.619 53.223 52.037 -0.722 0.000 0.631 75 A CB -0.555 17.886 19.000 -0.932 0.000 0.814 75 A HN 0.832 nan 8.150 nan 0.000 0.446 76 F N -2.799 117.202 119.950 0.084 0.000 2.576 76 F HA 0.425 4.952 4.527 -0.000 0.000 0.313 76 F C 1.083 176.998 175.800 0.191 0.000 1.078 76 F CA -0.707 57.419 58.000 0.210 0.000 0.921 76 F CB 1.524 40.605 39.000 0.135 0.000 1.232 76 F HN -0.087 nan 8.300 nan 0.000 0.459 77 V N -0.825 119.319 119.914 0.383 0.000 2.720 77 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 77 V C 1.354 177.529 176.094 0.135 0.000 1.082 77 V CA 1.600 64.010 62.300 0.185 0.000 1.101 77 V CB -0.803 31.077 31.823 0.096 0.000 0.693 77 V HN 0.822 nan 8.190 nan 0.000 0.479 78 K N 0.211 120.716 120.400 0.175 0.000 2.444 78 K HA 0.189 4.508 4.320 -0.000 0.000 0.193 78 K C 1.096 177.778 176.600 0.136 0.000 1.024 78 K CA -0.191 56.167 56.287 0.119 0.000 1.077 78 K CB 0.170 32.720 32.500 0.083 0.000 0.833 78 K HN 0.496 nan 8.250 nan 0.000 0.517 79 R N 1.009 121.624 120.500 0.193 0.000 2.457 79 R HA 0.318 4.658 4.340 -0.000 0.000 0.284 79 R C -0.723 175.642 176.300 0.108 0.000 1.024 79 R CA -0.332 55.871 56.100 0.171 0.000 1.025 79 R CB 0.970 31.411 30.300 0.236 0.000 1.063 79 R HN -0.018 nan 8.270 nan 0.000 0.493 80 A N 5.891 128.769 122.820 0.098 0.000 2.540 80 A HA 0.186 4.506 4.320 -0.000 0.000 0.239 80 A C -2.012 175.628 177.584 0.094 0.000 1.061 80 A CA -0.970 51.124 52.037 0.095 0.000 0.758 80 A CB -0.283 18.779 19.000 0.103 0.000 0.991 80 A HN 0.580 nan 8.150 nan 0.000 0.502 81 P HA 0.077 nan 4.420 nan 0.000 0.268 81 P C -0.187 177.216 177.300 0.172 0.000 1.204 81 P CA 0.079 63.196 63.100 0.029 0.000 0.768 81 P CB 0.926 32.517 31.700 -0.182 0.000 0.842 82 S N 1.835 117.629 115.700 0.158 0.000 2.475 82 S HA 0.188 4.658 4.470 -0.000 0.000 0.281 82 S C 1.363 176.170 174.600 0.346 0.000 1.198 82 S CA -0.314 58.030 58.200 0.240 0.000 1.063 82 S CB -0.049 63.278 63.200 0.213 0.000 0.972 82 S HN 0.386 nan 8.310 nan 0.000 0.486 83 T N 4.654 119.449 114.554 0.401 0.000 2.708 83 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 83 T C 1.199 176.092 174.700 0.321 0.000 1.037 83 T CA 1.625 63.972 62.100 0.411 0.000 1.146 83 T CB -0.463 68.579 68.868 0.289 0.000 0.865 83 T HN 0.883 nan 8.240 nan 0.000 0.435 84 W N 1.381 122.768 121.300 0.145 0.000 2.355 84 W HA -0.097 4.563 4.660 -0.000 0.000 0.309 84 W C 1.988 178.604 176.519 0.162 0.000 1.206 84 W CA 0.697 58.104 57.345 0.103 0.000 1.284 84 W CB -0.572 28.838 29.460 -0.083 0.000 1.145 84 W HN 0.133 nan 8.180 nan 0.000 0.502 85 L N 0.587 122.067 121.223 0.427 0.000 2.046 85 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 85 L C 2.338 179.205 176.870 -0.005 0.000 1.077 85 L CA 2.734 57.721 54.840 0.244 0.000 0.747 85 L CB -1.301 40.917 42.059 0.265 0.000 0.896 85 L HN -0.059 nan 8.230 nan 0.000 0.432 86 T N -0.268 114.337 114.554 0.085 0.000 2.746 86 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 86 T C 1.887 176.537 174.700 -0.082 0.000 1.039 86 T CA 1.327 63.471 62.100 0.073 0.000 1.142 86 T CB -0.520 68.472 68.868 0.207 0.000 0.866 86 T HN 0.515 nan 8.240 nan 0.000 0.444 87 A N 0.305 123.072 122.820 -0.087 0.000 1.969 87 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 87 A C 2.094 179.458 177.584 -0.367 0.000 1.169 87 A CA 1.263 53.167 52.037 -0.223 0.000 0.635 87 A CB -0.876 18.007 19.000 -0.196 0.000 0.810 87 A HN 0.552 nan 8.150 nan 0.000 0.445 88 Y N 0.519 120.492 120.300 -0.545 0.000 2.200 88 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 88 Y C 2.376 177.942 175.900 -0.557 0.000 1.137 88 Y CA 1.505 59.233 58.100 -0.619 0.000 1.163 88 Y CB -0.394 37.503 38.460 -0.939 0.000 0.988 88 Y HN 0.066 nan 8.280 nan 0.000 0.518 89 V N -0.971 118.540 119.914 -0.673 0.000 2.332 89 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 89 V C 2.392 177.943 176.094 -0.906 0.000 1.055 89 V CA 1.787 63.472 62.300 -1.026 0.000 1.038 89 V CB -0.962 30.063 31.823 -1.329 0.000 0.651 89 V HN 0.304 nan 8.190 nan 0.000 0.450 90 V N -0.192 119.390 119.914 -0.554 0.000 2.343 90 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 90 V C 2.470 178.384 176.094 -0.300 0.000 1.051 90 V CA 2.296 64.406 62.300 -0.316 0.000 1.036 90 V CB -0.679 31.016 31.823 -0.213 0.000 0.654 90 V HN 0.539 nan 8.190 nan 0.000 0.451 91 K N -0.042 120.094 120.400 -0.441 0.000 2.002 91 K HA -0.155 4.164 4.320 -0.000 0.000 0.209 91 K C 2.103 178.486 176.600 -0.362 0.000 1.048 91 K CA 1.779 57.816 56.287 -0.417 0.000 0.930 91 K CB -0.212 31.946 32.500 -0.571 0.000 0.714 91 K HN 0.358 nan 8.250 nan 0.000 0.438 92 V N 1.170 120.730 119.914 -0.591 0.000 2.307 92 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 92 V C 2.305 178.461 176.094 0.103 0.000 1.045 92 V CA 1.488 63.611 62.300 -0.295 0.000 1.024 92 V CB -0.570 30.974 31.823 -0.464 0.000 0.651 92 V HN 0.203 nan 8.190 nan 0.000 0.449 93 F N 0.914 120.761 119.950 -0.172 0.000 2.171 93 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 93 F C 2.727 178.489 175.800 -0.064 0.000 1.090 93 F CA 1.264 59.216 58.000 -0.079 0.000 1.293 93 F CB -1.399 37.575 39.000 -0.042 0.000 1.013 93 F HN 0.097 nan 8.300 nan 0.000 0.486 94 S N 0.438 116.211 115.700 0.121 0.000 2.370 94 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 94 S C 2.205 176.835 174.600 0.049 0.000 1.033 94 S CA 1.155 59.389 58.200 0.057 0.000 1.011 94 S CB -0.687 62.520 63.200 0.011 0.000 0.852 94 S HN 0.384 nan 8.310 nan 0.000 0.457 95 L N 0.962 122.225 121.223 0.065 0.000 2.156 95 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 95 L C 2.084 178.969 176.870 0.025 0.000 1.095 95 L CA 1.198 56.056 54.840 0.030 0.000 0.770 95 L CB -0.365 41.717 42.059 0.038 0.000 0.914 95 L HN 0.309 nan 8.230 nan 0.000 0.439 96 A N -0.957 121.893 122.820 0.050 0.000 2.238 96 A HA 0.029 4.349 4.320 -0.000 0.000 0.208 96 A C 2.080 179.637 177.584 -0.045 0.000 1.177 96 A CA 0.809 52.854 52.037 0.014 0.000 0.804 96 A CB -0.817 18.189 19.000 0.011 0.000 0.823 96 A HN 0.434 nan 8.150 nan 0.000 0.482 97 V N -1.850 118.044 119.914 -0.034 0.000 2.594 97 V HA -0.227 3.893 4.120 -0.000 0.000 0.253 97 V C 1.161 177.222 176.094 -0.054 0.000 1.069 97 V CA 2.334 64.594 62.300 -0.067 0.000 1.082 97 V CB -1.138 30.666 31.823 -0.033 0.000 0.680 97 V HN 0.584 nan 8.190 nan 0.000 0.469 98 N N -0.096 118.596 118.700 -0.014 0.000 2.314 98 N HA 0.381 5.120 4.740 -0.000 0.000 0.200 98 N C 1.216 176.719 175.510 -0.011 0.000 1.135 98 N CA 0.155 53.200 53.050 -0.008 0.000 0.835 98 N CB 0.317 38.817 38.487 0.021 0.000 0.989 98 N HN 0.456 nan 8.380 nan 0.000 0.478 99 L N -0.120 121.088 121.223 -0.025 0.000 2.467 99 L HA 0.384 4.724 4.340 -0.000 0.000 0.213 99 L C 0.547 177.372 176.870 -0.076 0.000 1.053 99 L CA 0.335 55.157 54.840 -0.029 0.000 0.847 99 L CB 0.114 42.176 42.059 0.006 0.000 1.075 99 L HN 0.146 nan 8.230 nan 0.000 0.479 100 I N -4.178 116.318 120.570 -0.123 0.000 3.279 100 I HA 0.708 4.878 4.170 -0.000 0.000 0.315 100 I C -0.598 175.382 176.117 -0.229 0.000 1.187 100 I CA -1.220 59.976 61.300 -0.174 0.000 0.953 100 I CB 1.828 39.695 38.000 -0.222 0.000 1.279 100 I HN -0.242 nan 8.210 nan 0.000 0.465 101 A N 3.417 126.089 122.820 -0.247 0.000 2.396 101 A HA 0.621 4.941 4.320 -0.000 0.000 0.279 101 A C -0.359 176.947 177.584 -0.463 0.000 1.165 101 A CA -0.148 51.738 52.037 -0.252 0.000 0.824 101 A CB -0.295 18.608 19.000 -0.161 0.000 1.100 101 A HN 0.479 nan 8.150 nan 0.000 0.516 102 I N 2.970 123.296 120.570 -0.406 0.000 2.339 102 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 102 I C -0.011 176.011 176.117 -0.158 0.000 0.994 102 I CA -0.593 60.413 61.300 -0.489 0.000 1.191 102 I CB 1.424 39.216 38.000 -0.347 0.000 1.343 102 I HN 0.625 nan 8.210 nan 0.000 0.458 103 D N 4.281 124.682 120.400 0.002 0.000 2.382 103 D HA 0.049 4.689 4.640 -0.000 0.000 0.259 103 D C 1.054 177.416 176.300 0.104 0.000 1.224 103 D CA 0.454 54.508 54.000 0.090 0.000 0.894 103 D CB 1.128 42.027 40.800 0.165 0.000 1.127 103 D HN 0.418 nan 8.370 nan 0.000 0.487 104 S N 3.136 118.874 115.700 0.064 0.000 2.383 104 S HA -0.209 4.260 4.470 -0.000 0.000 0.229 104 S C 1.755 176.409 174.600 0.090 0.000 1.030 104 S CA 1.044 59.286 58.200 0.070 0.000 1.002 104 S CB -0.021 63.205 63.200 0.043 0.000 0.829 104 S HN 0.625 nan 8.310 nan 0.000 0.467 105 Q N 0.164 120.015 119.800 0.085 0.000 2.170 105 Q HA -0.082 4.258 4.340 -0.000 0.000 0.203 105 Q C 2.222 178.290 176.000 0.112 0.000 0.976 105 Q CA 1.247 57.099 55.803 0.083 0.000 0.858 105 Q CB -0.280 28.496 28.738 0.064 0.000 0.907 105 Q HN 0.404 nan 8.270 nan 0.000 0.433 106 V N 0.701 120.710 119.914 0.159 0.000 2.283 106 V HA -0.230 3.890 4.120 -0.000 0.000 0.243 106 V C 2.091 178.341 176.094 0.260 0.000 1.039 106 V CA 1.385 63.822 62.300 0.229 0.000 1.016 106 V CB -0.475 31.549 31.823 0.336 0.000 0.650 106 V HN 0.288 nan 8.190 nan 0.000 0.449 107 L N 0.020 121.395 121.223 0.253 0.000 2.005 107 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 107 L C 2.352 179.309 176.870 0.144 0.000 1.072 107 L CA 2.239 57.213 54.840 0.224 0.000 0.744 107 L CB -0.827 41.350 42.059 0.196 0.000 0.895 107 L HN 0.369 nan 8.230 nan 0.000 0.433 108 c N 0.113 118.782 118.600 0.116 0.000 2.446 108 c HA 0.065 4.635 4.570 -0.000 0.000 0.279 108 c C 2.752 176.904 174.090 0.103 0.000 1.366 108 c CA 0.252 56.636 56.329 0.091 0.000 1.763 108 c CB -1.945 40.606 42.510 0.069 0.000 1.929 108 c HN 0.759 nan 8.230 nan 0.000 0.509 109 G N 0.958 109.826 108.800 0.113 0.000 2.446 109 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 109 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 109 G C 1.880 176.872 174.900 0.152 0.000 1.168 109 G CA 1.141 46.309 45.100 0.113 0.000 0.771 109 G HN 0.598 nan 8.290 nan 0.000 0.551 110 A N 0.006 122.925 122.820 0.165 0.000 1.898 110 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 110 A C 2.619 180.339 177.584 0.228 0.000 1.181 110 A CA 1.778 53.939 52.037 0.206 0.000 0.620 110 A CB -0.694 18.438 19.000 0.219 0.000 0.819 110 A HN 0.261 nan 8.150 nan 0.000 0.442 111 V N 0.311 120.310 119.914 0.142 0.000 2.282 111 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 111 V C 2.587 178.757 176.094 0.127 0.000 1.057 111 V CA 2.589 64.947 62.300 0.097 0.000 1.032 111 V CB -0.645 31.212 31.823 0.056 0.000 0.645 111 V HN 0.724 nan 8.190 nan 0.000 0.447 112 K N -1.339 119.146 120.400 0.140 0.000 2.097 112 K HA -0.250 4.070 4.320 -0.000 0.000 0.205 112 K C 1.975 178.673 176.600 0.163 0.000 1.050 112 K CA 1.776 58.139 56.287 0.127 0.000 0.938 112 K CB -0.334 32.231 32.500 0.109 0.000 0.718 112 K HN 0.567 nan 8.250 nan 0.000 0.442 113 W N 1.380 122.703 121.300 0.040 0.000 2.358 113 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 113 W C 1.322 177.881 176.519 0.067 0.000 1.208 113 W CA 1.470 58.840 57.345 0.043 0.000 1.274 113 W CB -0.229 29.250 29.460 0.032 0.000 1.138 113 W HN 0.016 nan 8.180 nan 0.000 0.515 114 L N 0.191 121.524 121.223 0.182 0.000 2.012 114 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 114 L C 2.492 179.392 176.870 0.050 0.000 1.073 114 L CA 1.810 56.651 54.840 0.003 0.000 0.748 114 L CB -0.956 41.127 42.059 0.039 0.000 0.891 114 L HN 0.028 nan 8.230 nan 0.000 0.431 115 I N -0.489 120.139 120.570 0.097 0.000 2.179 115 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 115 I C 2.277 178.382 176.117 -0.021 0.000 1.088 115 I CA 1.482 62.844 61.300 0.102 0.000 1.357 115 I CB -0.185 37.862 38.000 0.080 0.000 1.051 115 I HN 0.222 nan 8.210 nan 0.000 0.409 116 L N -0.393 120.790 121.223 -0.067 0.000 2.341 116 L HA -0.028 4.311 4.340 -0.000 0.000 0.214 116 L C 2.230 178.994 176.870 -0.176 0.000 1.115 116 L CA 0.651 55.435 54.840 -0.092 0.000 0.820 116 L CB -0.238 41.795 42.059 -0.043 0.000 0.944 116 L HN 0.227 nan 8.230 nan 0.000 0.452 117 E N -0.442 119.553 120.200 -0.341 0.000 2.290 117 E HA 0.053 4.403 4.350 -0.000 0.000 0.199 117 E C 1.374 177.741 176.600 -0.389 0.000 0.912 117 E CA 0.422 56.559 56.400 -0.438 0.000 0.924 117 E CB 0.444 29.639 29.700 -0.841 0.000 0.901 117 E HN 0.161 nan 8.360 nan 0.000 0.487 118 K N 0.770 120.936 120.400 -0.391 0.000 2.374 118 K HA 0.182 4.502 4.320 -0.000 0.000 0.202 118 K C 0.490 177.049 176.600 -0.068 0.000 1.040 118 K CA -0.033 56.122 56.287 -0.220 0.000 1.085 118 K CB 1.116 33.457 32.500 -0.266 0.000 0.873 118 K HN 0.081 nan 8.250 nan 0.000 0.539 119 Q N 1.603 121.288 119.800 -0.192 0.000 2.256 119 Q HA 0.123 4.463 4.340 -0.000 0.000 0.254 119 Q C -0.553 175.228 176.000 -0.364 0.000 0.916 119 Q CA -0.484 54.995 55.803 -0.539 0.000 0.932 119 Q CB 0.886 29.181 28.738 -0.738 0.000 1.207 119 Q HN -0.251 nan 8.270 nan 0.000 0.426 120 K N 3.733 123.903 120.400 -0.383 0.000 2.107 120 K HA 0.228 4.548 4.320 -0.000 0.000 0.251 120 K C -1.903 174.549 176.600 -0.246 0.000 1.012 120 K CA -2.286 53.842 56.287 -0.265 0.000 0.920 120 K CB 0.077 32.428 32.500 -0.248 0.000 1.033 120 K HN 0.435 nan 8.250 nan 0.000 0.478 121 P HA -0.133 nan 4.420 nan 0.000 0.220 121 P C 0.302 177.532 177.300 -0.118 0.000 1.148 121 P CA 1.200 64.224 63.100 -0.127 0.000 0.803 121 P CB 0.186 31.834 31.700 -0.088 0.000 0.782 122 D N -2.044 118.276 120.400 -0.133 0.000 2.340 122 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 122 D C 1.420 177.650 176.300 -0.116 0.000 1.039 122 D CA 0.625 54.578 54.000 -0.079 0.000 0.866 122 D CB -0.626 40.164 40.800 -0.016 0.000 0.913 122 D HN 0.232 nan 8.370 nan 0.000 0.523 123 G N -0.525 108.127 108.800 -0.246 0.000 2.238 123 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.217 123 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.217 123 G C 0.185 174.779 174.900 -0.510 0.000 0.996 123 G CA 0.004 44.932 45.100 -0.287 0.000 0.632 123 G HN 0.347 nan 8.290 nan 0.000 0.503 124 V N 1.845 121.366 119.914 -0.655 0.000 2.740 124 V HA 0.487 4.607 4.120 -0.000 0.000 0.303 124 V C 0.511 176.278 176.094 -0.546 0.000 1.054 124 V CA 0.245 62.130 62.300 -0.692 0.000 1.106 124 V CB 0.670 32.018 31.823 -0.791 0.000 0.957 124 V HN 0.209 nan 8.190 nan 0.000 0.486 125 F N 3.238 123.091 119.950 -0.163 0.000 2.404 125 F HA 0.528 5.055 4.527 -0.000 0.000 0.339 125 F C 0.335 176.100 175.800 -0.059 0.000 1.105 125 F CA -0.189 57.758 58.000 -0.088 0.000 1.087 125 F CB 1.400 40.386 39.000 -0.023 0.000 1.143 125 F HN 0.427 nan 8.300 nan 0.000 0.491 126 Q N 2.246 122.129 119.800 0.137 0.000 2.353 126 Q HA 0.349 4.688 4.340 -0.000 0.000 0.268 126 Q C -1.313 174.754 176.000 0.111 0.000 1.045 126 Q CA -1.003 54.844 55.803 0.073 0.000 0.811 126 Q CB 1.888 30.625 28.738 -0.002 0.000 1.305 126 Q HN 0.594 nan 8.270 nan 0.000 0.447 127 E N 2.458 122.725 120.200 0.113 0.000 2.167 127 E HA 0.108 4.458 4.350 -0.000 0.000 0.284 127 E C -0.724 175.934 176.600 0.098 0.000 1.016 127 E CA 0.075 56.554 56.400 0.132 0.000 0.817 127 E CB 0.947 30.722 29.700 0.126 0.000 1.080 127 E HN 0.594 nan 8.360 nan 0.000 0.397 128 D N 3.239 123.710 120.400 0.117 0.000 2.407 128 D HA 0.186 4.826 4.640 -0.000 0.000 0.208 128 D C -0.507 175.851 176.300 0.097 0.000 1.083 128 D CA 0.255 54.311 54.000 0.094 0.000 0.844 128 D CB 0.749 41.605 40.800 0.094 0.000 0.967 128 D HN 0.362 nan 8.370 nan 0.000 0.506 129 A N 1.838 124.728 122.820 0.117 0.000 2.876 129 A HA 0.472 4.792 4.320 -0.000 0.000 0.309 129 A C -2.769 174.866 177.584 0.085 0.000 1.168 129 A CA -1.089 51.006 52.037 0.097 0.000 0.762 129 A CB 0.898 19.966 19.000 0.113 0.000 1.262 129 A HN -0.228 nan 8.150 nan 0.000 0.435 130 P HA 0.155 nan 4.420 nan 0.000 0.265 130 P C 0.677 177.969 177.300 -0.013 0.000 1.187 130 P CA 0.201 63.303 63.100 0.003 0.000 0.766 130 P CB 0.612 32.293 31.700 -0.033 0.000 0.820 131 V N 1.874 121.760 119.914 -0.047 0.000 2.999 131 V HA 0.025 4.144 4.120 -0.000 0.000 0.307 131 V C 1.497 177.530 176.094 -0.101 0.000 1.084 131 V CA 0.177 62.442 62.300 -0.059 0.000 1.155 131 V CB -0.303 31.464 31.823 -0.093 0.000 0.975 131 V HN 0.449 nan 8.190 nan 0.000 0.490 132 I N 1.236 121.750 120.570 -0.094 0.000 2.202 132 I HA -0.088 4.082 4.170 -0.000 0.000 0.242 132 I C 1.053 177.003 176.117 -0.279 0.000 1.091 132 I CA 1.334 62.526 61.300 -0.179 0.000 1.368 132 I CB -0.335 37.537 38.000 -0.213 0.000 1.058 132 I HN 0.753 nan 8.210 nan 0.000 0.410 133 H N 1.808 120.807 119.070 -0.119 0.000 2.923 133 H HA 0.115 4.670 4.556 -0.000 0.000 0.251 133 H C 0.983 176.178 175.328 -0.221 0.000 1.741 133 H CA -0.206 55.764 56.048 -0.130 0.000 1.387 133 H CB 0.145 29.836 29.762 -0.118 0.000 1.740 133 H HN 0.163 nan 8.280 nan 0.000 0.544 134 Q N 1.707 121.414 119.800 -0.156 0.000 2.297 134 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 134 Q C 1.716 177.568 176.000 -0.247 0.000 0.981 134 Q CA 0.979 56.639 55.803 -0.237 0.000 0.876 134 Q CB 0.222 28.857 28.738 -0.172 0.000 0.921 134 Q HN 0.810 nan 8.270 nan 0.000 0.446 135 E N 0.406 120.499 120.200 -0.178 0.000 2.409 135 E HA -0.179 4.170 4.350 -0.000 0.000 0.198 135 E C 1.687 178.123 176.600 -0.274 0.000 1.024 135 E CA 0.868 57.125 56.400 -0.240 0.000 0.861 135 E CB -0.445 28.984 29.700 -0.451 0.000 0.788 135 E HN 0.548 nan 8.360 nan 0.000 0.521 136 M N 0.126 119.548 119.600 -0.297 0.000 2.561 136 M HA 0.240 4.719 4.480 -0.000 0.000 0.238 136 M C 1.878 177.910 176.300 -0.446 0.000 1.131 136 M CA 0.556 55.678 55.300 -0.297 0.000 1.046 136 M CB -0.343 32.119 32.600 -0.229 0.000 1.532 136 M HN 0.115 nan 8.290 nan 0.000 0.497 137 I N -2.564 117.635 120.570 -0.618 0.000 3.956 137 I HA 0.576 4.745 4.170 -0.000 0.000 0.333 137 I C 0.980 176.866 176.117 -0.385 0.000 1.302 137 I CA 0.077 60.882 61.300 -0.825 0.000 1.122 137 I CB -0.382 36.790 38.000 -1.380 0.000 1.013 137 I HN 0.412 nan 8.210 nan 0.000 0.405 138 G N 1.935 110.590 108.800 -0.242 0.000 2.566 138 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.280 138 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.280 138 G C 0.831 175.337 174.900 -0.656 0.000 1.225 138 G CA 0.168 45.178 45.100 -0.150 0.000 0.966 138 G HN 0.609 nan 8.290 nan 0.000 0.560 139 G N -0.712 107.545 108.800 -0.905 0.000 2.625 139 G HA2 0.220 4.180 3.960 -0.000 0.000 0.214 139 G HA3 0.220 4.180 3.960 -0.000 0.000 0.214 139 G C 1.735 175.753 174.900 -1.470 0.000 1.132 139 G CA 1.322 45.290 45.100 -1.886 0.000 0.782 139 G HN 0.754 nan 8.290 nan 0.000 0.538 140 L N 0.069 120.845 121.223 -0.745 0.000 2.275 140 L HA 0.142 4.482 4.340 -0.000 0.000 0.215 140 L C 1.812 178.430 176.870 -0.419 0.000 1.119 140 L CA 0.415 55.015 54.840 -0.400 0.000 0.790 140 L CB -0.136 41.774 42.059 -0.248 0.000 0.919 140 L HN 0.132 nan 8.230 nan 0.000 0.443 141 R N 0.614 120.811 120.500 -0.505 0.000 2.489 141 R HA -0.062 4.277 4.340 -0.000 0.000 0.287 141 R C 0.311 176.468 176.300 -0.239 0.000 1.053 141 R CA 0.636 56.532 56.100 -0.340 0.000 1.036 141 R CB -0.242 29.900 30.300 -0.263 0.000 0.966 141 R HN 0.436 nan 8.270 nan 0.000 0.432 142 N N 1.344 119.949 118.700 -0.158 0.000 2.693 142 N HA -0.311 4.429 4.740 -0.000 0.000 0.249 142 N C -0.898 174.556 175.510 -0.093 0.000 1.119 142 N CA 0.593 53.585 53.050 -0.096 0.000 0.717 142 N CB -0.760 37.694 38.487 -0.055 0.000 1.071 142 N HN 0.609 nan 8.380 nan 0.000 0.555 143 N N 1.460 120.084 118.700 -0.127 0.000 2.430 143 N HA 0.077 4.817 4.740 -0.000 0.000 0.265 143 N C 0.792 176.280 175.510 -0.036 0.000 1.100 143 N CA -0.115 52.876 53.050 -0.098 0.000 0.961 143 N CB 0.675 39.083 38.487 -0.132 0.000 1.075 143 N HN 0.270 nan 8.380 nan 0.000 0.478 144 N N 3.014 121.705 118.700 -0.015 0.000 2.244 144 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 144 N C -0.085 175.439 175.510 0.024 0.000 1.016 144 N CA 1.199 54.252 53.050 0.004 0.000 0.866 144 N CB -0.194 38.297 38.487 0.005 0.000 0.980 144 N HN 0.628 nan 8.380 nan 0.000 0.430 145 E N 0.363 120.584 120.200 0.035 0.000 2.594 145 E HA 0.006 4.356 4.350 -0.000 0.000 0.300 145 E C 0.753 177.405 176.600 0.086 0.000 1.568 145 E CA -0.265 56.172 56.400 0.062 0.000 1.811 145 E CB 0.055 29.791 29.700 0.061 0.000 1.458 145 E HN 0.630 nan 8.360 nan 0.000 0.470 146 K N -0.131 120.311 120.400 0.071 0.000 2.103 146 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 146 K C 1.067 177.733 176.600 0.111 0.000 1.052 146 K CA 1.023 57.352 56.287 0.070 0.000 0.945 146 K CB 0.247 32.766 32.500 0.033 0.000 0.722 146 K HN -0.058 nan 8.250 nan 0.000 0.443 147 D N 0.819 121.297 120.400 0.129 0.000 2.097 147 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 147 D C 2.003 178.462 176.300 0.265 0.000 0.989 147 D CA 1.288 55.377 54.000 0.150 0.000 0.827 147 D CB -0.045 40.849 40.800 0.157 0.000 0.966 147 D HN 0.212 nan 8.370 nan 0.000 0.456 148 M N 0.460 120.255 119.600 0.324 0.000 2.086 148 M HA -0.075 4.405 4.480 -0.000 0.000 0.261 148 M C 2.330 178.769 176.300 0.232 0.000 1.067 148 M CA 0.897 56.390 55.300 0.321 0.000 1.116 148 M CB -1.006 31.705 32.600 0.185 0.000 1.348 148 M HN -0.038 nan 8.290 nan 0.000 0.407 149 A N 0.169 123.105 122.820 0.193 0.000 1.877 149 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 149 A C 2.203 179.923 177.584 0.227 0.000 1.186 149 A CA 1.470 53.627 52.037 0.199 0.000 0.620 149 A CB -0.945 18.183 19.000 0.213 0.000 0.822 149 A HN 0.429 nan 8.150 nan 0.000 0.443 150 L N -0.344 121.009 121.223 0.216 0.000 2.093 150 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 150 L C 2.368 179.412 176.870 0.290 0.000 1.085 150 L CA 2.702 57.698 54.840 0.260 0.000 0.755 150 L CB -0.930 41.257 42.059 0.212 0.000 0.904 150 L HN 0.353 nan 8.230 nan 0.000 0.435 151 T N -0.043 114.675 114.554 0.272 0.000 2.746 151 T HA -0.138 4.211 4.350 -0.000 0.000 0.267 151 T C 1.939 176.790 174.700 0.253 0.000 1.039 151 T CA 1.311 63.609 62.100 0.331 0.000 1.142 151 T CB -0.529 68.511 68.868 0.286 0.000 0.866 151 T HN 0.529 nan 8.240 nan 0.000 0.444 152 A N 1.165 124.102 122.820 0.195 0.000 1.883 152 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 152 A C 2.025 179.632 177.584 0.038 0.000 1.186 152 A CA 1.542 53.628 52.037 0.082 0.000 0.624 152 A CB -1.054 17.967 19.000 0.035 0.000 0.822 152 A HN 0.489 nan 8.150 nan 0.000 0.444 153 F N 0.730 120.664 119.950 -0.026 0.000 2.069 153 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 153 F C 2.256 177.990 175.800 -0.110 0.000 1.113 153 F CA 2.179 60.157 58.000 -0.037 0.000 1.214 153 F CB -0.331 38.715 39.000 0.076 0.000 0.978 153 F HN 0.031 nan 8.300 nan 0.000 0.474 154 V N 0.402 120.286 119.914 -0.050 0.000 2.343 154 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 154 V C 2.331 178.177 176.094 -0.412 0.000 1.051 154 V CA 1.661 63.728 62.300 -0.388 0.000 1.036 154 V CB -0.835 30.561 31.823 -0.711 0.000 0.654 154 V HN 0.439 nan 8.190 nan 0.000 0.451 155 L N 0.023 121.124 121.223 -0.203 0.000 2.079 155 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 155 L C 2.134 178.887 176.870 -0.194 0.000 1.081 155 L CA 1.844 56.617 54.840 -0.113 0.000 0.752 155 L CB -0.563 41.500 42.059 0.006 0.000 0.896 155 L HN 0.233 nan 8.230 nan 0.000 0.433 156 I N -1.277 119.145 120.570 -0.247 0.000 2.226 156 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 156 I C 2.366 178.331 176.117 -0.252 0.000 1.100 156 I CA 1.424 62.566 61.300 -0.264 0.000 1.374 156 I CB -0.373 37.515 38.000 -0.186 0.000 1.057 156 I HN 0.199 nan 8.210 nan 0.000 0.413 157 S N 0.638 116.123 115.700 -0.360 0.000 2.368 157 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 157 S C 1.978 176.447 174.600 -0.219 0.000 1.029 157 S CA 1.076 59.077 58.200 -0.332 0.000 0.988 157 S CB -0.290 62.635 63.200 -0.459 0.000 0.838 157 S HN 0.332 nan 8.310 nan 0.000 0.462 158 L N 1.262 122.358 121.223 -0.211 0.000 2.042 158 L HA -0.191 4.148 4.340 -0.000 0.000 0.210 158 L C 2.673 179.486 176.870 -0.095 0.000 1.076 158 L CA 1.368 56.131 54.840 -0.128 0.000 0.749 158 L CB -0.678 41.323 42.059 -0.096 0.000 0.893 158 L HN 0.387 nan 8.230 nan 0.000 0.432 159 Q N -0.150 119.579 119.800 -0.117 0.000 2.123 159 Q HA -0.167 4.173 4.340 -0.000 0.000 0.199 159 Q C 2.004 177.959 176.000 -0.075 0.000 0.966 159 Q CA 1.131 56.873 55.803 -0.102 0.000 0.845 159 Q CB 0.022 28.669 28.738 -0.151 0.000 0.907 159 Q HN 0.565 nan 8.270 nan 0.000 0.439 160 E N 0.331 120.486 120.200 -0.075 0.000 2.274 160 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 160 E C 1.466 178.052 176.600 -0.023 0.000 0.996 160 E CA 0.767 57.150 56.400 -0.028 0.000 0.840 160 E CB 0.075 29.771 29.700 -0.006 0.000 0.772 160 E HN 0.269 nan 8.360 nan 0.000 0.491 161 A N 1.230 124.026 122.820 -0.041 0.000 2.238 161 A HA -0.005 4.314 4.320 -0.000 0.000 0.210 161 A C 1.900 179.479 177.584 -0.009 0.000 1.179 161 A CA 0.165 52.190 52.037 -0.020 0.000 0.827 161 A CB -0.072 18.912 19.000 -0.027 0.000 0.856 161 A HN 0.010 nan 8.150 nan 0.000 0.488 162 K N 0.474 120.863 120.400 -0.018 0.000 2.009 162 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 162 K C 1.121 177.721 176.600 -0.001 0.000 1.049 162 K CA 1.959 58.239 56.287 -0.011 0.000 0.929 162 K CB -0.188 32.300 32.500 -0.020 0.000 0.714 162 K HN 0.316 nan 8.250 nan 0.000 0.440 163 D N 0.561 120.962 120.400 0.002 0.000 2.149 163 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 163 D C 1.862 178.168 176.300 0.009 0.000 0.990 163 D CA 1.289 55.293 54.000 0.007 0.000 0.839 163 D CB -0.126 40.681 40.800 0.011 0.000 0.948 163 D HN 0.340 nan 8.370 nan 0.000 0.460 164 I N -0.427 120.150 120.570 0.011 0.000 2.353 164 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 164 I C 1.934 178.062 176.117 0.018 0.000 1.119 164 I CA 0.704 62.013 61.300 0.015 0.000 1.417 164 I CB 0.139 38.151 38.000 0.020 0.000 1.078 164 I HN 0.034 nan 8.210 nan 0.000 0.421 165 c N 0.336 118.947 118.600 0.018 0.000 3.188 165 c HA 0.064 4.634 4.570 -0.000 0.000 0.315 165 c C 2.476 176.577 174.090 0.019 0.000 1.285 165 c CA -0.218 56.126 56.329 0.023 0.000 1.729 165 c CB -0.683 41.844 42.510 0.028 0.000 2.257 165 c HN 0.547 nan 8.230 nan 0.000 0.645 166 E N 2.176 122.384 120.200 0.013 0.000 2.209 166 E HA -0.303 4.047 4.350 -0.000 0.000 0.196 166 E C 1.695 178.302 176.600 0.012 0.000 0.993 166 E CA 1.677 58.083 56.400 0.010 0.000 0.819 166 E CB -0.283 29.420 29.700 0.005 0.000 0.745 166 E HN 0.768 nan 8.360 nan 0.000 0.477 167 E N 1.020 121.227 120.200 0.013 0.000 2.051 167 E HA -0.176 4.174 4.350 -0.000 0.000 0.189 167 E C 2.082 178.692 176.600 0.016 0.000 0.979 167 E CA 0.954 57.361 56.400 0.012 0.000 0.803 167 E CB 0.101 29.807 29.700 0.011 0.000 0.761 167 E HN 0.309 nan 8.360 nan 0.000 0.451 168 Q N -0.495 119.317 119.800 0.020 0.000 2.432 168 Q HA 0.079 4.418 4.340 -0.000 0.000 0.205 168 Q C -0.439 175.578 176.000 0.027 0.000 0.945 168 Q CA 0.245 56.062 55.803 0.024 0.000 0.924 168 Q CB 1.215 29.970 28.738 0.028 0.000 1.016 168 Q HN 0.060 nan 8.270 nan 0.000 0.503 169 V N 2.250 122.180 119.914 0.026 0.000 2.383 169 V HA 0.055 4.175 4.120 -0.000 0.000 0.264 169 V C 0.311 176.419 176.094 0.022 0.000 1.001 169 V CA -0.488 61.829 62.300 0.029 0.000 0.828 169 V CB 0.613 32.459 31.823 0.037 0.000 1.069 169 V HN 0.411 nan 8.190 nan 0.000 0.451 170 N N 1.420 120.130 118.700 0.018 0.000 2.521 170 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 170 N C 1.526 177.042 175.510 0.011 0.000 1.146 170 N CA 0.834 53.891 53.050 0.013 0.000 0.893 170 N CB 0.258 38.751 38.487 0.010 0.000 0.975 170 N HN 0.610 nan 8.380 nan 0.000 0.451 171 S N 0.032 115.741 115.700 0.015 0.000 2.607 171 S HA -0.006 4.464 4.470 -0.000 0.000 0.224 171 S C 1.711 176.322 174.600 0.019 0.000 0.969 171 S CA -0.254 57.954 58.200 0.013 0.000 0.927 171 S CB -0.159 63.050 63.200 0.014 0.000 0.772 171 S HN 0.191 nan 8.310 nan 0.000 0.533 172 L N 2.930 124.166 121.223 0.021 0.000 2.005 172 L HA 0.172 4.512 4.340 -0.000 0.000 0.207 172 L C -1.076 175.803 176.870 0.016 0.000 1.072 172 L CA 1.559 56.413 54.840 0.023 0.000 0.744 172 L CB -1.580 40.490 42.059 0.018 0.000 0.895 172 L HN 0.124 nan 8.230 nan 0.000 0.433 173 P HA -0.111 nan 4.420 nan 0.000 0.215 173 P C 1.627 178.928 177.300 0.001 0.000 1.157 173 P CA 1.856 64.957 63.100 0.000 0.000 0.868 173 P CB -0.392 31.306 31.700 -0.002 0.000 0.788 174 G N -0.917 107.883 108.800 0.001 0.000 2.422 174 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 174 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 174 G C 1.868 176.766 174.900 -0.004 0.000 1.146 174 G CA 1.035 46.132 45.100 -0.004 0.000 0.769 174 G HN 0.307 nan 8.290 nan 0.000 0.547 175 S N 0.108 115.815 115.700 0.011 0.000 2.355 175 S HA -0.039 4.431 4.470 -0.000 0.000 0.222 175 S C 2.414 177.044 174.600 0.050 0.000 1.031 175 S CA 0.950 59.166 58.200 0.026 0.000 0.993 175 S CB -0.278 62.972 63.200 0.083 0.000 0.859 175 S HN 0.360 nan 8.310 nan 0.000 0.453 176 I N 1.106 121.706 120.570 0.050 0.000 2.163 176 I HA -0.204 3.965 4.170 -0.000 0.000 0.243 176 I C 2.603 178.731 176.117 0.019 0.000 1.085 176 I CA 1.650 62.974 61.300 0.040 0.000 1.347 176 I CB -0.826 37.177 38.000 0.005 0.000 1.044 176 I HN 0.330 nan 8.210 nan 0.000 0.408 177 T N 0.270 114.826 114.554 0.003 0.000 2.708 177 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 177 T C 1.952 176.652 174.700 -0.000 0.000 1.037 177 T CA 1.484 63.580 62.100 -0.006 0.000 1.146 177 T CB -0.201 68.660 68.868 -0.011 0.000 0.865 177 T HN 0.285 nan 8.240 nan 0.000 0.435 178 K N 0.821 121.217 120.400 -0.007 0.000 2.057 178 K HA -0.044 4.275 4.320 -0.000 0.000 0.207 178 K C 2.503 179.107 176.600 0.006 0.000 1.049 178 K CA 1.228 57.505 56.287 -0.017 0.000 0.931 178 K CB -0.288 32.177 32.500 -0.058 0.000 0.714 178 K HN 0.287 nan 8.250 nan 0.000 0.440 179 A N 0.648 123.474 122.820 0.011 0.000 1.898 179 A HA -0.060 4.259 4.320 -0.000 0.000 0.216 179 A C 2.337 179.994 177.584 0.121 0.000 1.181 179 A CA 1.814 53.895 52.037 0.073 0.000 0.620 179 A CB -1.129 17.976 19.000 0.174 0.000 0.819 179 A HN 0.536 nan 8.150 nan 0.000 0.442 180 G N -0.060 108.776 108.800 0.060 0.000 2.440 180 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 180 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 180 G C 1.137 176.052 174.900 0.024 0.000 1.154 180 G CA 1.259 46.372 45.100 0.022 0.000 0.767 180 G HN 0.449 nan 8.290 nan 0.000 0.552 181 D N 0.063 120.484 120.400 0.036 0.000 2.116 181 D HA -0.142 4.498 4.640 -0.000 0.000 0.193 181 D C 1.966 178.304 176.300 0.063 0.000 0.998 181 D CA 0.758 54.779 54.000 0.034 0.000 0.836 181 D CB -0.466 40.356 40.800 0.037 0.000 0.951 181 D HN 0.298 nan 8.370 nan 0.000 0.449 182 F N 1.276 121.213 119.950 -0.022 0.000 2.102 182 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 182 F C 2.198 178.010 175.800 0.020 0.000 1.105 182 F CA 1.170 59.165 58.000 -0.008 0.000 1.239 182 F CB -0.339 38.648 39.000 -0.021 0.000 0.991 182 F HN -0.100 nan 8.300 nan 0.000 0.474 183 L N 0.099 121.339 121.223 0.027 0.000 2.017 183 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 183 L C 2.533 179.368 176.870 -0.058 0.000 1.073 183 L CA 2.108 56.933 54.840 -0.024 0.000 0.745 183 L CB -0.933 41.170 42.059 0.074 0.000 0.894 183 L HN 0.283 nan 8.230 nan 0.000 0.432 184 E N 0.434 120.595 120.200 -0.066 0.000 2.106 184 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 184 E C 2.125 178.689 176.600 -0.060 0.000 0.984 184 E CA 1.076 57.434 56.400 -0.070 0.000 0.806 184 E CB 0.037 29.691 29.700 -0.077 0.000 0.750 184 E HN 0.441 nan 8.360 nan 0.000 0.458 185 A N 0.650 123.402 122.820 -0.114 0.000 2.066 185 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 185 A C 1.569 179.060 177.584 -0.155 0.000 1.157 185 A CA 1.050 53.014 52.037 -0.122 0.000 0.670 185 A CB -0.067 18.858 19.000 -0.125 0.000 0.804 185 A HN 0.278 nan 8.150 nan 0.000 0.453 186 N N -2.584 115.983 118.700 -0.222 0.000 2.159 186 N HA 0.066 4.805 4.740 -0.000 0.000 0.217 186 N C 0.810 176.272 175.510 -0.081 0.000 1.223 186 N CA -0.041 52.881 53.050 -0.214 0.000 0.896 186 N CB 0.170 38.393 38.487 -0.440 0.000 1.064 186 N HN 0.524 nan 8.380 nan 0.000 0.518 187 Y N 2.188 122.410 120.300 -0.131 0.000 2.145 187 Y HA -0.064 4.486 4.550 -0.000 0.000 0.286 187 Y C 2.302 178.184 175.900 -0.030 0.000 1.145 187 Y CA 1.564 59.625 58.100 -0.066 0.000 1.148 187 Y CB 0.098 38.527 38.460 -0.051 0.000 0.981 187 Y HN -0.089 nan 8.280 nan 0.000 0.507 188 M N -0.077 119.578 119.600 0.091 0.000 2.346 188 M HA -0.220 4.260 4.480 -0.000 0.000 0.263 188 M C 0.973 177.248 176.300 -0.042 0.000 1.064 188 M CA 1.537 56.856 55.300 0.032 0.000 1.083 188 M CB -1.427 31.204 32.600 0.052 0.000 1.399 188 M HN 0.422 nan 8.290 nan 0.000 0.435 189 N N -0.185 118.478 118.700 -0.061 0.000 2.336 189 N HA 0.190 4.930 4.740 -0.000 0.000 0.189 189 N C -0.076 175.387 175.510 -0.079 0.000 1.113 189 N CA -0.234 52.780 53.050 -0.060 0.000 0.858 189 N CB 0.269 38.728 38.487 -0.046 0.000 0.970 189 N HN 0.254 nan 8.380 nan 0.000 0.471 190 L N 1.218 122.359 121.223 -0.138 0.000 2.485 190 L HA -0.022 4.318 4.340 -0.000 0.000 0.275 190 L C 1.219 178.036 176.870 -0.089 0.000 1.207 190 L CA 0.103 54.862 54.840 -0.135 0.000 0.855 190 L CB 0.676 42.583 42.059 -0.254 0.000 1.114 190 L HN 0.220 nan 8.230 nan 0.000 0.485 191 Q N 2.037 121.810 119.800 -0.045 0.000 2.442 191 Q HA 0.176 4.516 4.340 -0.000 0.000 0.228 191 Q C 0.206 176.206 176.000 -0.001 0.000 0.902 191 Q CA 0.629 56.418 55.803 -0.024 0.000 0.933 191 Q CB 0.395 29.126 28.738 -0.011 0.000 1.071 191 Q HN 0.543 nan 8.270 nan 0.000 0.562 192 R N 0.742 121.256 120.500 0.023 0.000 2.340 192 R HA 0.296 4.636 4.340 -0.000 0.000 0.300 192 R C 1.128 177.491 176.300 0.104 0.000 1.069 192 R CA -0.067 56.076 56.100 0.070 0.000 0.984 192 R CB 0.810 31.169 30.300 0.099 0.000 1.003 192 R HN -0.017 nan 8.270 nan 0.000 0.459 193 S N 1.797 117.576 115.700 0.132 0.000 2.383 193 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 193 S C 1.541 176.303 174.600 0.269 0.000 1.030 193 S CA 1.216 59.541 58.200 0.207 0.000 1.002 193 S CB -0.320 62.987 63.200 0.180 0.000 0.829 193 S HN 0.660 nan 8.310 nan 0.000 0.467 194 Y N 2.720 123.103 120.300 0.139 0.000 2.081 194 Y HA -0.269 4.280 4.550 -0.000 0.000 0.280 194 Y C 2.589 178.545 175.900 0.092 0.000 1.163 194 Y CA 2.173 60.349 58.100 0.125 0.000 1.135 194 Y CB -0.969 37.537 38.460 0.077 0.000 0.970 194 Y HN 0.226 nan 8.280 nan 0.000 0.498 195 T N -0.566 114.110 114.554 0.204 0.000 2.746 195 T HA -0.176 4.173 4.350 -0.000 0.000 0.267 195 T C 2.063 176.765 174.700 0.004 0.000 1.039 195 T CA 1.480 63.633 62.100 0.088 0.000 1.142 195 T CB -0.871 68.062 68.868 0.108 0.000 0.866 195 T HN 0.224 nan 8.240 nan 0.000 0.444 196 V N 1.714 121.638 119.914 0.018 0.000 2.332 196 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 196 V C 2.900 179.135 176.094 0.236 0.000 1.055 196 V CA 1.805 64.129 62.300 0.040 0.000 1.038 196 V CB -1.176 30.702 31.823 0.092 0.000 0.651 196 V HN 0.569 nan 8.190 nan 0.000 0.450 197 A N -0.581 122.299 122.820 0.099 0.000 1.873 197 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 197 A C 2.245 179.780 177.584 -0.082 0.000 1.186 197 A CA 1.986 54.003 52.037 -0.034 0.000 0.616 197 A CB -0.469 18.394 19.000 -0.229 0.000 0.823 197 A HN 0.494 nan 8.150 nan 0.000 0.442 198 I N -0.695 119.713 120.570 -0.270 0.000 2.233 198 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 198 I C 2.638 178.624 176.117 -0.218 0.000 1.093 198 I CA 1.211 62.211 61.300 -0.501 0.000 1.380 198 I CB -0.145 37.383 38.000 -0.787 0.000 1.067 198 I HN 0.314 nan 8.210 nan 0.000 0.413 199 A N 0.506 123.300 122.820 -0.043 0.000 2.019 199 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 199 A C 2.283 179.901 177.584 0.056 0.000 1.164 199 A CA 1.533 53.619 52.037 0.083 0.000 0.644 199 A CB -1.408 17.740 19.000 0.247 0.000 0.805 199 A HN 0.541 nan 8.150 nan 0.000 0.449 200 G N -1.351 107.505 108.800 0.093 0.000 2.421 200 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 200 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 200 G C 1.546 176.256 174.900 -0.316 0.000 1.171 200 G CA 1.274 46.241 45.100 -0.223 0.000 0.775 200 G HN 0.535 nan 8.290 nan 0.000 0.543 201 Y N 2.223 122.336 120.300 -0.312 0.000 2.145 201 Y HA -0.003 4.547 4.550 -0.000 0.000 0.286 201 Y C 2.903 178.692 175.900 -0.184 0.000 1.145 201 Y CA 1.036 59.000 58.100 -0.226 0.000 1.148 201 Y CB -0.769 37.645 38.460 -0.077 0.000 0.981 201 Y HN 0.253 nan 8.280 nan 0.000 0.507 202 A N 0.259 122.901 122.820 -0.296 0.000 1.908 202 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 202 A C 2.410 179.825 177.584 -0.282 0.000 1.181 202 A CA 1.988 53.823 52.037 -0.337 0.000 0.627 202 A CB -1.174 17.717 19.000 -0.182 0.000 0.818 202 A HN 0.545 nan 8.150 nan 0.000 0.445 203 L N -1.097 119.974 121.223 -0.254 0.000 2.109 203 L HA -0.125 4.214 4.340 -0.000 0.000 0.207 203 L C 3.068 179.786 176.870 -0.254 0.000 1.086 203 L CA 0.900 55.588 54.840 -0.255 0.000 0.760 203 L CB -0.474 41.384 42.059 -0.335 0.000 0.910 203 L HN 0.432 nan 8.230 nan 0.000 0.437 204 A N -0.531 122.121 122.820 -0.280 0.000 1.969 204 A HA -0.232 4.087 4.320 -0.000 0.000 0.218 204 A C 2.159 179.636 177.584 -0.179 0.000 1.169 204 A CA 1.272 53.174 52.037 -0.225 0.000 0.635 204 A CB -0.425 18.444 19.000 -0.219 0.000 0.810 204 A HN 0.461 nan 8.150 nan 0.000 0.445 205 Q N -1.648 118.000 119.800 -0.252 0.000 2.368 205 Q HA -0.029 4.311 4.340 -0.000 0.000 0.210 205 Q C 1.769 177.677 176.000 -0.152 0.000 0.982 205 Q CA 1.312 56.980 55.803 -0.226 0.000 0.884 205 Q CB -0.139 28.377 28.738 -0.369 0.000 0.933 205 Q HN 0.734 nan 8.270 nan 0.000 0.460 206 M N -1.783 117.726 119.600 -0.151 0.000 2.337 206 M HA 0.147 4.627 4.480 -0.000 0.000 0.256 206 M C 0.505 176.748 176.300 -0.094 0.000 1.075 206 M CA 0.386 55.619 55.300 -0.113 0.000 1.024 206 M CB 1.046 33.576 32.600 -0.116 0.000 1.429 206 M HN 0.314 nan 8.290 nan 0.000 0.497 207 G N 1.613 110.350 108.800 -0.104 0.000 2.160 207 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 207 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 207 G C 0.465 175.305 174.900 -0.099 0.000 1.008 207 G CA 0.270 45.317 45.100 -0.089 0.000 0.724 207 G HN 0.515 nan 8.290 nan 0.000 0.514 208 R N -1.251 119.171 120.500 -0.130 0.000 2.509 208 R HA 0.330 4.669 4.340 -0.000 0.000 0.300 208 R C 0.387 176.571 176.300 -0.194 0.000 0.985 208 R CA -0.440 55.577 56.100 -0.137 0.000 1.092 208 R CB 0.518 30.745 30.300 -0.122 0.000 1.237 208 R HN 0.280 nan 8.270 nan 0.000 0.546 209 L N 2.414 123.505 121.223 -0.221 0.000 2.315 209 L HA 0.261 4.601 4.340 -0.000 0.000 0.278 209 L C -0.663 176.098 176.870 -0.182 0.000 1.088 209 L CA 0.145 54.815 54.840 -0.282 0.000 0.899 209 L CB -0.124 41.709 42.059 -0.376 0.000 1.277 209 L HN 0.017 nan 8.230 nan 0.000 0.431 210 K N 2.044 122.360 120.400 -0.139 0.000 2.499 210 K HA 0.932 5.252 4.320 -0.000 0.000 0.277 210 K C 0.454 177.027 176.600 -0.045 0.000 1.025 210 K CA -0.711 55.531 56.287 -0.075 0.000 0.900 210 K CB 0.377 32.840 32.500 -0.062 0.000 1.494 210 K HN 0.406 nan 8.250 nan 0.000 0.442 211 G N 0.842 109.632 108.800 -0.017 0.000 2.611 211 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.301 211 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.301 211 G C -1.357 173.554 174.900 0.019 0.000 1.233 211 G CA 0.375 45.475 45.100 0.000 0.000 0.993 211 G HN 0.587 nan 8.290 nan 0.000 0.553 212 P HA 0.051 nan 4.420 nan 0.000 0.221 212 P C 2.190 179.544 177.300 0.090 0.000 1.150 212 P CA 1.449 64.579 63.100 0.050 0.000 0.800 212 P CB -0.027 31.698 31.700 0.042 0.000 0.787 213 L N -0.740 120.520 121.223 0.062 0.000 2.027 213 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 213 L C 2.644 179.583 176.870 0.115 0.000 1.074 213 L CA 1.311 56.202 54.840 0.084 0.000 0.745 213 L CB -1.891 40.061 42.059 -0.179 0.000 0.898 213 L HN -0.072 nan 8.230 nan 0.000 0.433 214 L N 0.032 121.273 121.223 0.031 0.000 2.042 214 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 214 L C 2.248 179.230 176.870 0.186 0.000 1.076 214 L CA 1.970 56.864 54.840 0.092 0.000 0.749 214 L CB -0.965 41.108 42.059 0.023 0.000 0.893 214 L HN 0.428 nan 8.230 nan 0.000 0.432 215 N N -0.437 118.337 118.700 0.125 0.000 2.120 215 N HA -0.269 4.470 4.740 -0.000 0.000 0.188 215 N C 1.996 177.584 175.510 0.130 0.000 1.024 215 N CA 1.757 54.870 53.050 0.106 0.000 0.852 215 N CB -0.231 38.298 38.487 0.071 0.000 1.003 215 N HN 0.424 nan 8.380 nan 0.000 0.424 216 K N -0.834 119.676 120.400 0.185 0.000 2.057 216 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 216 K C 1.930 178.685 176.600 0.258 0.000 1.049 216 K CA 1.256 57.659 56.287 0.192 0.000 0.931 216 K CB -0.388 32.249 32.500 0.227 0.000 0.714 216 K HN 0.251 nan 8.250 nan 0.000 0.440 217 F N 1.863 121.970 119.950 0.262 0.000 2.069 217 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 217 F C 1.682 177.664 175.800 0.303 0.000 1.113 217 F CA 1.618 59.811 58.000 0.322 0.000 1.214 217 F CB -0.402 38.743 39.000 0.242 0.000 0.978 217 F HN -0.031 nan 8.300 nan 0.000 0.474 218 L N -0.050 121.150 121.223 -0.038 0.000 2.046 218 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 218 L C 2.502 179.239 176.870 -0.220 0.000 1.077 218 L CA 1.889 56.557 54.840 -0.286 0.000 0.747 218 L CB -1.449 40.483 42.059 -0.211 0.000 0.896 218 L HN 0.343 nan 8.230 nan 0.000 0.432 219 T N -5.155 109.340 114.554 -0.098 0.000 3.072 219 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 219 T C 1.669 176.259 174.700 -0.184 0.000 1.127 219 T CA 1.206 63.246 62.100 -0.100 0.000 1.107 219 T CB -0.445 68.402 68.868 -0.036 0.000 0.910 219 T HN 0.173 nan 8.240 nan 0.000 0.513 220 T N 2.084 116.505 114.554 -0.221 0.000 2.951 220 T HA 0.326 4.676 4.350 -0.000 0.000 0.268 220 T C 1.192 175.524 174.700 -0.613 0.000 1.073 220 T CA 0.587 62.520 62.100 -0.279 0.000 1.134 220 T CB -0.523 68.293 68.868 -0.086 0.000 0.884 220 T HN 0.727 nan 8.240 nan 0.000 0.479 221 A N 1.633 123.849 122.820 -1.007 0.000 2.498 221 A HA 0.342 4.662 4.320 -0.000 0.000 0.239 221 A C 0.231 177.418 177.584 -0.662 0.000 1.068 221 A CA -0.120 51.119 52.037 -1.330 0.000 0.766 221 A CB 0.148 18.244 19.000 -1.506 0.000 1.003 221 A HN 0.177 nan 8.150 nan 0.000 0.497 222 K N 1.596 121.650 120.400 -0.577 0.000 2.276 222 K HA 0.302 4.622 4.320 -0.000 0.000 0.283 222 K C -0.104 176.294 176.600 -0.337 0.000 1.044 222 K CA 0.228 56.294 56.287 -0.369 0.000 0.944 222 K CB 0.472 32.783 32.500 -0.315 0.000 1.012 222 K HN 0.654 nan 8.250 nan 0.000 0.472 223 D N 3.306 123.563 120.400 -0.239 0.000 2.860 223 D HA -0.259 4.381 4.640 -0.000 0.000 0.229 223 D C -0.665 175.494 176.300 -0.234 0.000 1.169 223 D CA 1.184 55.068 54.000 -0.195 0.000 0.737 223 D CB -0.778 39.930 40.800 -0.154 0.000 1.080 223 D HN 0.825 nan 8.370 nan 0.000 0.424 224 K N -1.935 118.298 120.400 -0.279 0.000 3.130 224 K HA -0.307 4.013 4.320 -0.000 0.000 0.282 224 K C 0.729 177.125 176.600 -0.340 0.000 1.145 224 K CA 1.520 57.608 56.287 -0.331 0.000 0.831 224 K CB -2.365 29.860 32.500 -0.458 0.000 1.226 224 K HN 0.798 nan 8.250 nan 0.000 0.478 225 N N -0.326 118.203 118.700 -0.285 0.000 2.067 225 N HA 0.004 4.744 4.740 -0.000 0.000 0.227 225 N C -0.076 175.294 175.510 -0.234 0.000 1.348 225 N CA -0.659 52.296 53.050 -0.158 0.000 0.879 225 N CB 0.715 39.155 38.487 -0.079 0.000 1.109 225 N HN 0.304 nan 8.380 nan 0.000 0.501 226 R N -0.655 119.558 120.500 -0.479 0.000 2.663 226 R HA 0.266 4.606 4.340 -0.000 0.000 0.267 226 R C -2.043 173.995 176.300 -0.436 0.000 1.038 226 R CA -0.851 54.904 56.100 -0.575 0.000 0.886 226 R CB 0.866 30.235 30.300 -1.553 0.000 1.249 226 R HN 0.011 nan 8.270 nan 0.000 0.463 227 W N 2.562 123.655 121.300 -0.345 0.000 2.318 227 W HA 0.301 4.961 4.660 -0.000 0.000 0.315 227 W C -0.474 175.965 176.519 -0.133 0.000 1.033 227 W CA -0.283 56.949 57.345 -0.188 0.000 1.275 227 W CB 1.946 31.348 29.460 -0.097 0.000 1.250 227 W HN 0.752 nan 8.180 nan 0.000 0.421 228 E N 1.753 121.962 120.200 0.016 0.000 2.383 228 E HA 0.516 4.866 4.350 -0.000 0.000 0.275 228 E C -1.329 175.306 176.600 0.058 0.000 0.918 228 E CA -0.848 55.575 56.400 0.039 0.000 0.764 228 E CB 2.821 32.492 29.700 -0.049 0.000 1.252 228 E HN 0.075 nan 8.360 nan 0.000 0.449 229 D N 1.426 121.885 120.400 0.098 0.000 2.547 229 D HA 0.349 4.989 4.640 -0.000 0.000 0.231 229 D C -2.471 173.868 176.300 0.064 0.000 1.099 229 D CA -1.543 52.505 54.000 0.080 0.000 0.901 229 D CB 1.972 42.843 40.800 0.117 0.000 1.478 229 D HN 0.271 nan 8.370 nan 0.000 0.471 230 P HA 0.315 nan 4.420 nan 0.000 0.266 230 P C 0.236 177.556 177.300 0.033 0.000 1.195 230 P CA 0.484 63.600 63.100 0.027 0.000 0.768 230 P CB 0.547 32.257 31.700 0.017 0.000 0.838 231 G N 1.470 110.274 108.800 0.007 0.000 2.306 231 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.262 231 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.262 231 G C -1.249 173.593 174.900 -0.095 0.000 1.263 231 G CA -0.997 44.085 45.100 -0.029 0.000 1.088 231 G HN 0.491 nan 8.290 nan 0.000 0.489 232 K N 0.313 120.557 120.400 -0.260 0.000 2.484 232 K HA 0.162 4.482 4.320 -0.000 0.000 0.280 232 K C 1.241 177.697 176.600 -0.239 0.000 1.013 232 K CA 0.269 56.330 56.287 -0.376 0.000 1.029 232 K CB 1.060 33.081 32.500 -0.798 0.000 0.902 232 K HN 0.512 nan 8.250 nan 0.000 0.481 233 Q N 3.202 122.924 119.800 -0.130 0.000 2.224 233 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 233 Q C 1.415 177.388 176.000 -0.045 0.000 0.970 233 Q CA 1.400 57.184 55.803 -0.032 0.000 0.865 233 Q CB 0.015 28.743 28.738 -0.017 0.000 0.922 233 Q HN 0.695 nan 8.270 nan 0.000 0.445 234 L N -0.681 120.457 121.223 -0.142 0.000 2.127 234 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 234 L C 1.722 178.662 176.870 0.117 0.000 1.089 234 L CA 0.974 55.740 54.840 -0.123 0.000 0.757 234 L CB -0.509 41.477 42.059 -0.123 0.000 0.899 234 L HN 0.309 nan 8.230 nan 0.000 0.434 235 Y N -0.019 120.294 120.300 0.022 0.000 2.293 235 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 235 Y C 2.526 178.550 175.900 0.207 0.000 1.137 235 Y CA 0.484 58.638 58.100 0.091 0.000 1.202 235 Y CB -0.893 37.568 38.460 0.001 0.000 0.990 235 Y HN 0.311 nan 8.280 nan 0.000 0.537 236 N N -0.373 118.517 118.700 0.316 0.000 2.300 236 N HA -0.096 4.644 4.740 -0.000 0.000 0.179 236 N C 2.089 177.800 175.510 0.336 0.000 1.016 236 N CA 0.871 54.102 53.050 0.300 0.000 0.876 236 N CB -0.535 38.103 38.487 0.251 0.000 0.979 236 N HN 0.158 nan 8.380 nan 0.000 0.432 237 V N 1.765 121.844 119.914 0.276 0.000 2.343 237 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 237 V C 2.450 178.637 176.094 0.154 0.000 1.051 237 V CA 1.544 63.972 62.300 0.213 0.000 1.036 237 V CB -0.389 31.372 31.823 -0.104 0.000 0.654 237 V HN 0.371 nan 8.190 nan 0.000 0.451 238 E N 0.176 120.474 120.200 0.164 0.000 2.051 238 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 238 E C 2.269 178.975 176.600 0.176 0.000 0.991 238 E CA 1.394 57.889 56.400 0.159 0.000 0.799 238 E CB -0.205 29.678 29.700 0.304 0.000 0.748 238 E HN 0.541 nan 8.360 nan 0.000 0.449 239 A N 0.458 123.452 122.820 0.290 0.000 1.865 239 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 239 A C 2.423 180.068 177.584 0.101 0.000 1.191 239 A CA 2.323 54.477 52.037 0.196 0.000 0.623 239 A CB -1.151 18.025 19.000 0.294 0.000 0.826 239 A HN 0.370 nan 8.150 nan 0.000 0.444 240 T N 0.042 114.695 114.554 0.164 0.000 2.833 240 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 240 T C 2.189 176.909 174.700 0.033 0.000 1.054 240 T CA 1.526 63.713 62.100 0.145 0.000 1.135 240 T CB -0.257 68.771 68.868 0.267 0.000 0.869 240 T HN 0.492 nan 8.240 nan 0.000 0.466 241 S N 0.450 116.157 115.700 0.011 0.000 2.368 241 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 241 S C 1.720 176.200 174.600 -0.200 0.000 1.029 241 S CA 0.792 58.932 58.200 -0.101 0.000 0.988 241 S CB -0.452 62.657 63.200 -0.151 0.000 0.838 241 S HN 0.476 nan 8.310 nan 0.000 0.462 242 Y N 2.013 122.217 120.300 -0.160 0.000 2.165 242 Y HA -0.150 4.400 4.550 -0.000 0.000 0.286 242 Y C 2.686 178.394 175.900 -0.319 0.000 1.155 242 Y CA 0.518 58.461 58.100 -0.261 0.000 1.164 242 Y CB -1.015 37.349 38.460 -0.161 0.000 0.978 242 Y HN 0.267 nan 8.280 nan 0.000 0.513 243 A N -0.381 122.311 122.820 -0.213 0.000 1.902 243 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 243 A C 2.218 179.665 177.584 -0.228 0.000 1.181 243 A CA 1.645 53.421 52.037 -0.436 0.000 0.623 243 A CB -1.110 16.953 19.000 -1.561 0.000 0.818 243 A HN 0.407 nan 8.150 nan 0.000 0.443 244 L N -0.144 120.978 121.223 -0.168 0.000 2.012 244 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 244 L C 2.239 179.057 176.870 -0.087 0.000 1.073 244 L CA 1.797 56.602 54.840 -0.058 0.000 0.748 244 L CB -0.713 41.332 42.059 -0.024 0.000 0.891 244 L HN 0.390 nan 8.230 nan 0.000 0.431 245 L N -0.566 120.529 121.223 -0.214 0.000 2.083 245 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 245 L C 2.669 179.445 176.870 -0.156 0.000 1.083 245 L CA 1.196 55.846 54.840 -0.316 0.000 0.752 245 L CB -0.942 40.599 42.059 -0.863 0.000 0.899 245 L HN 0.387 nan 8.230 nan 0.000 0.433 246 A N 0.170 122.919 122.820 -0.118 0.000 1.877 246 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 246 A C 2.256 179.780 177.584 -0.099 0.000 1.186 246 A CA 1.458 53.460 52.037 -0.058 0.000 0.620 246 A CB -0.770 18.007 19.000 -0.372 0.000 0.822 246 A HN 0.348 nan 8.150 nan 0.000 0.443 247 L N -0.667 120.531 121.223 -0.042 0.000 2.079 247 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 247 L C 2.502 179.300 176.870 -0.119 0.000 1.081 247 L CA 1.159 55.988 54.840 -0.018 0.000 0.752 247 L CB -0.518 41.587 42.059 0.077 0.000 0.896 247 L HN 0.383 nan 8.230 nan 0.000 0.433 248 L N -1.237 119.932 121.223 -0.089 0.000 2.156 248 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 248 L C 2.740 179.566 176.870 -0.073 0.000 1.095 248 L CA 0.647 55.417 54.840 -0.118 0.000 0.770 248 L CB -0.462 41.612 42.059 0.025 0.000 0.914 248 L HN 0.302 nan 8.230 nan 0.000 0.439 249 Q N 0.110 119.903 119.800 -0.011 0.000 2.119 249 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 249 Q C 2.302 178.276 176.000 -0.043 0.000 0.972 249 Q CA 1.332 57.141 55.803 0.010 0.000 0.847 249 Q CB -0.129 28.635 28.738 0.042 0.000 0.903 249 Q HN 0.529 nan 8.270 nan 0.000 0.433 250 L N 0.306 121.477 121.223 -0.086 0.000 2.395 250 L HA -0.034 4.306 4.340 -0.000 0.000 0.218 250 L C 0.569 177.380 176.870 -0.097 0.000 1.130 250 L CA 0.329 55.117 54.840 -0.087 0.000 0.826 250 L CB -0.093 41.912 42.059 -0.090 0.000 0.941 250 L HN 0.163 nan 8.230 nan 0.000 0.451 251 K N -0.093 120.183 120.400 -0.207 0.000 3.069 251 K HA -0.228 4.091 4.320 -0.000 0.000 0.267 251 K C -0.054 176.335 176.600 -0.352 0.000 1.082 251 K CA 0.675 56.743 56.287 -0.365 0.000 0.782 251 K CB -1.321 31.214 32.500 0.059 0.000 1.230 251 K HN 0.189 nan 8.250 nan 0.000 0.488 252 D N 0.366 120.582 120.400 -0.307 0.000 2.619 252 D HA 0.097 4.737 4.640 -0.000 0.000 0.224 252 D C 0.406 176.680 176.300 -0.044 0.000 1.133 252 D CA -0.354 53.605 54.000 -0.069 0.000 1.017 252 D CB -0.301 40.514 40.800 0.025 0.000 1.077 252 D HN 0.124 nan 8.370 nan 0.000 0.503 253 F N 0.305 120.354 119.950 0.164 0.000 2.699 253 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 253 F C 1.853 177.756 175.800 0.171 0.000 1.154 253 F CA 0.217 58.322 58.000 0.174 0.000 1.457 253 F CB 0.165 39.249 39.000 0.140 0.000 1.106 253 F HN 0.159 nan 8.300 nan 0.000 0.585 254 D N -0.731 119.845 120.400 0.294 0.000 2.194 254 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 254 D C 1.894 178.316 176.300 0.204 0.000 0.964 254 D CA 0.991 55.123 54.000 0.221 0.000 0.846 254 D CB -0.325 40.587 40.800 0.188 0.000 0.962 254 D HN 0.238 nan 8.370 nan 0.000 0.490 255 F N 0.420 120.436 119.950 0.111 0.000 2.569 255 F HA -0.013 4.514 4.527 -0.000 0.000 0.295 255 F C 2.011 177.877 175.800 0.110 0.000 1.115 255 F CA 0.298 58.359 58.000 0.102 0.000 1.450 255 F CB 0.242 39.312 39.000 0.118 0.000 1.107 255 F HN -0.245 nan 8.300 nan 0.000 0.563 256 V N 1.539 121.634 119.914 0.301 0.000 2.270 256 V HA -0.202 3.917 4.120 -0.000 0.000 0.245 256 V C -0.331 175.832 176.094 0.115 0.000 1.043 256 V CA 2.036 64.473 62.300 0.229 0.000 1.014 256 V CB -1.636 30.336 31.823 0.248 0.000 0.645 256 V HN 0.156 nan 8.190 nan 0.000 0.447 257 P HA -0.153 nan 4.420 nan 0.000 0.217 257 P C -1.357 175.953 177.300 0.016 0.000 1.162 257 P CA 2.228 65.365 63.100 0.062 0.000 0.901 257 P CB -1.322 30.431 31.700 0.089 0.000 0.793 258 P HA -0.082 nan 4.420 nan 0.000 0.220 258 P C 1.478 178.814 177.300 0.061 0.000 1.148 258 P CA 0.978 64.072 63.100 -0.011 0.000 0.803 258 P CB -0.397 31.237 31.700 -0.110 0.000 0.782 259 V N -0.604 119.365 119.914 0.092 0.000 2.283 259 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 259 V C 2.468 178.657 176.094 0.159 0.000 1.039 259 V CA 1.533 63.949 62.300 0.194 0.000 1.016 259 V CB -1.274 30.718 31.823 0.281 0.000 0.650 259 V HN -0.054 nan 8.190 nan 0.000 0.449 260 V N 0.151 120.064 119.914 -0.002 0.000 2.324 260 V HA -0.348 3.772 4.120 -0.000 0.000 0.250 260 V C 2.604 178.686 176.094 -0.020 0.000 1.060 260 V CA 2.637 64.863 62.300 -0.122 0.000 1.042 260 V CB -0.792 30.759 31.823 -0.453 0.000 0.650 260 V HN 0.490 nan 8.190 nan 0.000 0.450 261 R N -1.368 119.144 120.500 0.020 0.000 2.080 261 R HA -0.265 4.074 4.340 -0.000 0.000 0.236 261 R C 2.163 178.508 176.300 0.074 0.000 1.137 261 R CA 2.531 58.655 56.100 0.040 0.000 0.943 261 R CB -0.497 29.831 30.300 0.048 0.000 0.846 261 R HN 0.638 nan 8.270 nan 0.000 0.431 262 W N 1.062 122.344 121.300 -0.030 0.000 2.338 262 W HA -0.213 4.447 4.660 -0.000 0.000 0.304 262 W C 1.604 178.106 176.519 -0.027 0.000 1.212 262 W CA 1.600 58.932 57.345 -0.021 0.000 1.264 262 W CB -0.335 29.122 29.460 -0.005 0.000 1.142 262 W HN 0.106 nan 8.180 nan 0.000 0.512 263 L N 0.685 121.968 121.223 0.099 0.000 2.012 263 L HA -0.322 4.018 4.340 -0.000 0.000 0.210 263 L C 2.437 179.150 176.870 -0.261 0.000 1.073 263 L CA 1.718 56.481 54.840 -0.128 0.000 0.748 263 L CB -1.130 40.941 42.059 0.021 0.000 0.891 263 L HN 0.053 nan 8.230 nan 0.000 0.431 264 N N 0.245 118.856 118.700 -0.148 0.000 2.069 264 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 264 N C 1.655 177.049 175.510 -0.192 0.000 1.031 264 N CA 1.394 54.368 53.050 -0.127 0.000 0.852 264 N CB -0.308 38.157 38.487 -0.038 0.000 1.018 264 N HN 0.422 nan 8.380 nan 0.000 0.423 265 E N 0.558 120.625 120.200 -0.221 0.000 2.401 265 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 265 E C 1.534 177.930 176.600 -0.340 0.000 1.023 265 E CA 0.423 56.683 56.400 -0.233 0.000 0.859 265 E CB 0.052 29.636 29.700 -0.194 0.000 0.780 265 E HN 0.336 nan 8.360 nan 0.000 0.523 266 Q N 0.224 119.727 119.800 -0.495 0.000 2.297 266 Q HA -0.016 4.324 4.340 -0.000 0.000 0.204 266 Q C 0.266 176.071 176.000 -0.325 0.000 0.962 266 Q CA 0.343 55.852 55.803 -0.489 0.000 0.879 266 Q CB 0.058 28.409 28.738 -0.645 0.000 0.947 266 Q HN 0.206 nan 8.270 nan 0.000 0.462 267 R N 0.217 120.509 120.500 -0.346 0.000 3.188 267 R HA -0.235 4.105 4.340 -0.000 0.000 0.247 267 R C -0.919 174.953 176.300 -0.713 0.000 0.918 267 R CA 0.235 56.030 56.100 -0.509 0.000 0.629 267 R CB -2.032 28.120 30.300 -0.246 0.000 1.087 267 R HN 0.168 nan 8.270 nan 0.000 0.462 268 Y N 0.188 120.055 120.300 -0.723 0.000 2.335 268 Y HA 0.261 4.811 4.550 -0.000 0.000 0.339 268 Y C -0.113 175.515 175.900 -0.453 0.000 0.987 268 Y CA -1.005 56.794 58.100 -0.501 0.000 1.140 268 Y CB 0.615 38.891 38.460 -0.307 0.000 1.173 268 Y HN 0.152 nan 8.280 nan 0.000 0.486 269 Y N 4.041 124.053 120.300 -0.479 0.000 2.636 269 Y HA 0.471 5.021 4.550 -0.000 0.000 0.260 269 Y C 1.048 176.843 175.900 -0.175 0.000 1.177 269 Y CA -0.326 57.688 58.100 -0.143 0.000 1.209 269 Y CB 0.314 38.796 38.460 0.036 0.000 1.166 269 Y HN 0.897 nan 8.280 nan 0.000 0.531 270 G N -0.174 108.169 108.800 -0.761 0.000 2.795 270 G HA2 0.328 4.288 3.960 -0.000 0.000 0.664 270 G HA3 0.328 4.288 3.960 -0.000 0.000 0.664 270 G C 0.145 175.089 174.900 0.073 0.000 1.381 270 G CA -0.325 44.635 45.100 -0.234 0.000 0.853 270 G HN 1.128 nan 8.290 nan 0.000 0.545 271 G N -1.329 107.586 108.800 0.192 0.000 2.860 271 G HA2 0.473 4.433 3.960 -0.000 0.000 0.553 271 G HA3 0.473 4.433 3.960 -0.000 0.000 0.553 271 G C 1.273 176.299 174.900 0.210 0.000 1.439 271 G CA 0.955 46.185 45.100 0.217 0.000 0.879 271 G HN 3.298 nan 8.290 nan 0.000 0.545 272 G N -1.768 107.141 108.800 0.182 0.000 2.541 272 G HA2 0.399 4.359 3.960 -0.000 0.000 0.686 272 G HA3 0.399 4.359 3.960 -0.000 0.000 0.686 272 G C -0.287 174.729 174.900 0.192 0.000 1.286 272 G CA 0.143 45.353 45.100 0.185 0.000 0.894 272 G HN 2.261 nan 8.290 nan 0.000 0.575 273 Y N 1.304 121.655 120.300 0.085 0.000 2.620 273 Y HA 0.369 4.919 4.550 -0.000 0.000 0.330 273 Y C 1.567 177.512 175.900 0.074 0.000 1.186 273 Y CA 1.621 59.762 58.100 0.068 0.000 1.467 273 Y CB 0.743 39.231 38.460 0.047 0.000 1.262 273 Y HN 2.473 nan 8.280 nan 0.000 0.550 274 G N 3.466 111.891 108.800 -0.625 0.000 2.225 274 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.267 274 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.267 274 G C 0.734 175.584 174.900 -0.084 0.000 1.024 274 G CA 0.812 45.657 45.100 -0.424 0.000 0.784 274 G HN 1.255 nan 8.290 nan 0.000 0.507 275 S N -1.867 113.843 115.700 0.017 0.000 2.556 275 S HA 0.169 4.638 4.470 -0.000 0.000 0.216 275 S C 1.924 176.634 174.600 0.182 0.000 0.970 275 S CA 1.216 59.513 58.200 0.162 0.000 0.912 275 S CB 0.142 63.504 63.200 0.269 0.000 0.790 275 S HN 0.369 nan 8.310 nan 0.000 0.504 276 T N 2.962 117.579 114.554 0.104 0.000 2.622 276 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 276 T C 1.929 176.763 174.700 0.224 0.000 1.047 276 T CA 1.766 63.955 62.100 0.148 0.000 1.159 276 T CB -0.333 68.563 68.868 0.046 0.000 0.863 276 T HN 0.360 nan 8.240 nan 0.000 0.422 277 Q N 0.754 120.652 119.800 0.164 0.000 2.046 277 Q HA 0.100 4.440 4.340 -0.000 0.000 0.200 277 Q C 2.741 178.893 176.000 0.253 0.000 0.975 277 Q CA 1.540 57.485 55.803 0.237 0.000 0.836 277 Q CB -0.965 27.907 28.738 0.224 0.000 0.896 277 Q HN 0.574 nan 8.270 nan 0.000 0.428 278 A N 0.544 123.489 122.820 0.207 0.000 1.908 278 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 278 A C 2.359 180.104 177.584 0.269 0.000 1.181 278 A CA 2.114 54.245 52.037 0.157 0.000 0.627 278 A CB -0.867 18.137 19.000 0.006 0.000 0.818 278 A HN 0.404 nan 8.150 nan 0.000 0.445 279 T N -1.161 113.624 114.554 0.384 0.000 2.737 279 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 279 T C 1.632 176.574 174.700 0.403 0.000 1.038 279 T CA 1.494 63.856 62.100 0.436 0.000 1.144 279 T CB -0.367 68.731 68.868 0.384 0.000 0.866 279 T HN 0.456 nan 8.240 nan 0.000 0.434 280 F N 1.444 121.542 119.950 0.248 0.000 2.113 280 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 280 F C 2.135 178.011 175.800 0.126 0.000 1.103 280 F CA 1.171 59.302 58.000 0.218 0.000 1.248 280 F CB -0.202 38.960 39.000 0.270 0.000 0.999 280 F HN -0.004 nan 8.300 nan 0.000 0.475 281 M N -0.750 119.008 119.600 0.263 0.000 2.156 281 M HA -0.082 4.398 4.480 -0.000 0.000 0.264 281 M C 2.425 178.661 176.300 -0.107 0.000 1.067 281 M CA 0.993 56.296 55.300 0.005 0.000 1.131 281 M CB -1.556 30.909 32.600 -0.225 0.000 1.368 281 M HN 0.177 nan 8.290 nan 0.000 0.416 282 V N 0.133 119.974 119.914 -0.122 0.000 2.343 282 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 282 V C 2.068 177.908 176.094 -0.423 0.000 1.051 282 V CA 1.802 63.926 62.300 -0.294 0.000 1.036 282 V CB -0.399 31.198 31.823 -0.376 0.000 0.654 282 V HN 0.253 nan 8.190 nan 0.000 0.451 283 F N -0.018 119.875 119.950 -0.096 0.000 2.367 283 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 283 F C 2.453 178.248 175.800 -0.007 0.000 1.094 283 F CA 1.481 59.392 58.000 -0.148 0.000 1.409 283 F CB -0.633 38.216 39.000 -0.252 0.000 1.064 283 F HN 0.201 nan 8.300 nan 0.000 0.528 284 Q N 0.703 120.506 119.800 0.004 0.000 2.084 284 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 284 Q C 2.330 178.380 176.000 0.084 0.000 0.978 284 Q CA 1.614 57.411 55.803 -0.010 0.000 0.844 284 Q CB -0.177 28.451 28.738 -0.184 0.000 0.898 284 Q HN 0.369 nan 8.270 nan 0.000 0.426 285 A N 0.736 123.559 122.820 0.005 0.000 1.873 285 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 285 A C 2.040 179.702 177.584 0.131 0.000 1.186 285 A CA 1.094 53.135 52.037 0.007 0.000 0.616 285 A CB -0.650 18.304 19.000 -0.077 0.000 0.823 285 A HN 0.437 nan 8.150 nan 0.000 0.442 286 L N -0.805 120.513 121.223 0.157 0.000 2.141 286 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 286 L C 3.053 180.190 176.870 0.446 0.000 1.094 286 L CA 0.846 55.876 54.840 0.317 0.000 0.763 286 L CB -0.511 41.719 42.059 0.287 0.000 0.908 286 L HN 0.443 nan 8.230 nan 0.000 0.437 287 A N -0.297 122.784 122.820 0.434 0.000 1.902 287 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 287 A C 2.218 179.900 177.584 0.164 0.000 1.181 287 A CA 1.793 53.984 52.037 0.257 0.000 0.623 287 A CB -0.477 18.654 19.000 0.217 0.000 0.818 287 A HN 0.367 nan 8.150 nan 0.000 0.443 288 Q N -1.432 118.494 119.800 0.210 0.000 2.084 288 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 288 Q C 1.838 177.957 176.000 0.199 0.000 0.978 288 Q CA 2.194 58.104 55.803 0.178 0.000 0.844 288 Q CB -0.645 28.188 28.738 0.159 0.000 0.898 288 Q HN 0.719 nan 8.270 nan 0.000 0.426 289 Y N 0.594 120.971 120.300 0.128 0.000 2.114 289 Y HA -0.291 4.259 4.550 -0.000 0.000 0.282 289 Y C 1.969 177.956 175.900 0.144 0.000 1.165 289 Y CA 2.232 60.425 58.100 0.154 0.000 1.148 289 Y CB -0.263 38.289 38.460 0.153 0.000 0.972 289 Y HN 0.190 nan 8.280 nan 0.000 0.504 290 Q N 0.584 120.372 119.800 -0.020 0.000 2.084 290 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 290 Q C 2.327 178.248 176.000 -0.131 0.000 0.978 290 Q CA 1.955 57.671 55.803 -0.145 0.000 0.844 290 Q CB -0.507 28.209 28.738 -0.038 0.000 0.898 290 Q HN 0.556 nan 8.270 nan 0.000 0.426 291 K N 0.448 120.816 120.400 -0.053 0.000 2.097 291 K HA -0.165 4.154 4.320 -0.000 0.000 0.206 291 K C 1.003 177.592 176.600 -0.019 0.000 1.049 291 K CA 1.577 57.845 56.287 -0.033 0.000 0.933 291 K CB 0.215 32.720 32.500 0.008 0.000 0.717 291 K HN 0.036 nan 8.250 nan 0.000 0.442 292 D N 0.233 120.639 120.400 0.011 0.000 2.262 292 D HA 0.079 4.719 4.640 -0.000 0.000 0.212 292 D C 0.018 176.301 176.300 -0.027 0.000 0.964 292 D CA 0.552 54.602 54.000 0.084 0.000 0.875 292 D CB -0.143 40.828 40.800 0.284 0.000 0.996 292 D HN 0.269 nan 8.370 nan 0.000 0.497 293 A N 2.542 125.266 122.820 -0.160 0.000 2.583 293 A HA 0.158 4.478 4.320 -0.000 0.000 0.249 293 A C -1.614 175.819 177.584 -0.252 0.000 1.035 293 A CA -0.534 51.337 52.037 -0.276 0.000 0.777 293 A CB -0.562 18.127 19.000 -0.517 0.000 0.942 293 A HN 0.033 nan 8.150 nan 0.000 0.516 294 P HA 0.000 nan 4.420 nan 0.000 0.216 294 P CA 0.000 62.944 63.100 -0.260 0.000 0.800 294 P CB 0.000 31.502 31.700 -0.330 0.000 0.726