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 1ek9_1_B DATA FIRST_RESID 1 DATA SEQUENCE ENLXQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDXSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNXG QNKVGLSFSL PIYQGGXVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAXEA GYSVGTRTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.590 176.600 -0.017 0.000 1.382 1 E CA 0.000 56.362 56.400 -0.064 0.000 0.976 1 E CB 0.000 29.705 29.700 0.008 0.000 0.812 2 N N 1.888 120.581 118.700 -0.012 0.000 2.405 2 N HA 0.337 5.078 4.740 0.001 0.000 0.269 2 N C 0.442 175.851 175.510 -0.169 0.000 1.249 2 N CA -0.536 52.507 53.050 -0.011 0.000 0.974 2 N CB 0.623 39.091 38.487 -0.032 0.000 1.204 2 N HN 0.141 nan 8.380 nan 0.000 0.565 6 V N 1.129 120.986 119.914 -0.096 0.000 2.295 6 V HA -0.273 3.847 4.120 0.001 0.000 0.246 6 V C 1.904 178.011 176.094 0.021 0.000 1.049 6 V CA 2.505 64.742 62.300 -0.106 0.000 1.024 6 V CB -0.559 31.145 31.823 -0.199 0.000 0.648 6 V HN 0.394 nan 8.190 nan 0.000 0.447 7 Y N 1.231 121.481 120.300 -0.084 0.000 2.128 7 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 7 Y C 2.723 178.613 175.900 -0.017 0.000 1.154 7 Y CA 1.961 60.030 58.100 -0.053 0.000 1.149 7 Y CB -0.354 38.055 38.460 -0.085 0.000 0.976 7 Y HN 0.282 nan 8.280 nan 0.000 0.505 8 Q N 0.197 119.917 119.800 -0.133 0.000 2.135 8 Q HA -0.251 4.090 4.340 0.001 0.000 0.204 8 Q C 2.126 178.034 176.000 -0.155 0.000 0.981 8 Q CA 2.077 57.777 55.803 -0.172 0.000 0.856 8 Q CB -0.507 28.217 28.738 -0.022 0.000 0.902 8 Q HN 0.696 nan 8.270 nan 0.000 0.425 9 Q N 0.267 120.030 119.800 -0.063 0.000 2.119 9 Q HA -0.036 4.305 4.340 0.001 0.000 0.201 9 Q C 2.102 178.070 176.000 -0.052 0.000 0.972 9 Q CA 1.274 57.070 55.803 -0.013 0.000 0.847 9 Q CB -0.180 28.616 28.738 0.096 0.000 0.903 9 Q HN 0.398 nan 8.270 nan 0.000 0.433 10 A N 1.298 124.059 122.820 -0.097 0.000 1.898 10 A HA -0.183 4.138 4.320 0.001 0.000 0.216 10 A C 2.047 179.523 177.584 -0.179 0.000 1.181 10 A CA 1.307 53.284 52.037 -0.099 0.000 0.620 10 A CB -0.450 18.513 19.000 -0.061 0.000 0.819 10 A HN 0.208 nan 8.150 nan 0.000 0.442 11 R N -0.071 120.206 120.500 -0.371 0.000 2.096 11 R HA -0.146 4.195 4.340 0.001 0.000 0.235 11 R C 1.880 178.089 176.300 -0.151 0.000 1.127 11 R CA 1.834 57.733 56.100 -0.336 0.000 0.968 11 R CB -0.469 29.496 30.300 -0.558 0.000 0.861 11 R HN 0.534 nan 8.270 nan 0.000 0.440 12 L N -0.698 120.453 121.223 -0.119 0.000 2.156 12 L HA 0.048 4.388 4.340 0.001 0.000 0.208 12 L C 2.075 178.926 176.870 -0.032 0.000 1.095 12 L CA 1.541 56.347 54.840 -0.056 0.000 0.770 12 L CB -0.407 41.627 42.059 -0.042 0.000 0.914 12 L HN 0.082 nan 8.230 nan 0.000 0.439 13 S N -2.179 113.501 115.700 -0.033 0.000 2.526 13 S HA 0.098 4.569 4.470 0.001 0.000 0.220 13 S C 0.883 175.480 174.600 -0.006 0.000 1.017 13 S CA -0.514 57.678 58.200 -0.014 0.000 0.930 13 S CB -0.676 62.518 63.200 -0.010 0.000 0.856 13 S HN 0.443 nan 8.310 nan 0.000 0.497 14 N N 3.827 122.520 118.700 -0.012 0.000 2.411 14 N HA 0.060 4.801 4.740 0.001 0.000 0.265 14 N C -1.570 173.952 175.510 0.019 0.000 1.266 14 N CA -0.723 52.330 53.050 0.004 0.000 0.889 14 N CB 1.253 39.740 38.487 0.001 0.000 1.069 14 N HN 0.162 nan 8.380 nan 0.000 0.476 15 P HA -0.036 nan 4.420 nan 0.000 0.220 15 P C 0.546 177.868 177.300 0.037 0.000 1.152 15 P CA 1.056 64.172 63.100 0.026 0.000 0.812 15 P CB 0.453 32.165 31.700 0.020 0.000 0.792 16 E N 0.049 120.271 120.200 0.037 0.000 2.077 16 E HA -0.104 4.247 4.350 0.001 0.000 0.193 16 E C 2.140 178.778 176.600 0.064 0.000 0.989 16 E CA 0.767 57.194 56.400 0.044 0.000 0.800 16 E CB -1.069 28.654 29.700 0.038 0.000 0.746 16 E HN 0.162 nan 8.360 nan 0.000 0.452 17 L N 0.086 121.348 121.223 0.066 0.000 2.072 17 L HA -0.100 4.240 4.340 0.001 0.000 0.205 17 L C 2.153 179.127 176.870 0.174 0.000 1.079 17 L CA 1.187 56.089 54.840 0.103 0.000 0.752 17 L CB -0.034 42.062 42.059 0.063 0.000 0.906 17 L HN 0.088 nan 8.230 nan 0.000 0.436 18 R N -0.116 120.449 120.500 0.109 0.000 2.115 18 R HA -0.220 4.120 4.340 0.001 0.000 0.230 18 R C 2.184 178.527 176.300 0.072 0.000 1.111 18 R CA 1.428 57.582 56.100 0.090 0.000 0.976 18 R CB -0.131 30.198 30.300 0.049 0.000 0.870 18 R HN 0.147 nan 8.270 nan 0.000 0.445 19 K N 0.395 120.836 120.400 0.069 0.000 2.057 19 K HA -0.073 4.248 4.320 0.001 0.000 0.207 19 K C 2.051 178.696 176.600 0.075 0.000 1.049 19 K CA 1.916 58.237 56.287 0.056 0.000 0.931 19 K CB -0.433 32.096 32.500 0.048 0.000 0.714 19 K HN -0.038 nan 8.250 nan 0.000 0.440 20 S N -0.676 115.101 115.700 0.129 0.000 2.399 20 S HA -0.045 4.425 4.470 0.001 0.000 0.231 20 S C 1.888 176.578 174.600 0.150 0.000 1.022 20 S CA 1.147 59.461 58.200 0.190 0.000 0.983 20 S CB -0.478 62.895 63.200 0.289 0.000 0.803 20 S HN 0.491 nan 8.310 nan 0.000 0.480 21 A N 0.922 123.789 122.820 0.078 0.000 1.968 21 A HA 0.343 4.664 4.320 0.001 0.000 0.217 21 A C 2.389 179.878 177.584 -0.159 0.000 1.169 21 A CA 1.499 53.370 52.037 -0.278 0.000 0.638 21 A CB -1.126 17.757 19.000 -0.194 0.000 0.812 21 A HN 0.673 nan 8.150 nan 0.000 0.446 22 A N 0.424 123.216 122.820 -0.046 0.000 1.898 22 A HA -0.166 4.155 4.320 0.001 0.000 0.216 22 A C 1.734 179.313 177.584 -0.008 0.000 1.181 22 A CA 1.810 53.833 52.037 -0.024 0.000 0.620 22 A CB -0.564 18.435 19.000 -0.002 0.000 0.819 22 A HN 0.443 nan 8.150 nan 0.000 0.442 23 D N -0.630 119.776 120.400 0.011 0.000 2.123 23 D HA -0.170 4.471 4.640 0.001 0.000 0.196 23 D C 2.060 178.378 176.300 0.030 0.000 0.992 23 D CA 1.305 55.320 54.000 0.025 0.000 0.833 23 D CB -0.386 40.439 40.800 0.042 0.000 0.954 23 D HN 0.494 nan 8.370 nan 0.000 0.455 24 R N 0.746 121.255 120.500 0.016 0.000 2.070 24 R HA -0.147 4.193 4.340 0.001 0.000 0.233 24 R C 1.426 177.814 176.300 0.147 0.000 1.137 24 R CA 1.504 57.646 56.100 0.070 0.000 0.945 24 R CB -0.075 30.199 30.300 -0.044 0.000 0.845 24 R HN 0.005 nan 8.270 nan 0.000 0.430 25 D N 0.402 120.823 120.400 0.035 0.000 2.116 25 D HA -0.171 4.469 4.640 0.001 0.000 0.193 25 D C 1.749 178.097 176.300 0.081 0.000 0.998 25 D CA 1.760 55.785 54.000 0.043 0.000 0.836 25 D CB -0.367 40.416 40.800 -0.028 0.000 0.951 25 D HN 0.398 nan 8.370 nan 0.000 0.449 26 A N 0.826 123.672 122.820 0.044 0.000 1.908 26 A HA -0.077 4.244 4.320 0.001 0.000 0.218 26 A C 2.306 179.908 177.584 0.029 0.000 1.181 26 A CA 2.437 54.492 52.037 0.030 0.000 0.627 26 A CB -0.791 18.217 19.000 0.013 0.000 0.818 26 A HN 0.251 nan 8.150 nan 0.000 0.445 27 A N -1.490 121.346 122.820 0.026 0.000 1.930 27 A HA 0.028 4.348 4.320 0.001 0.000 0.217 27 A C 1.974 179.492 177.584 -0.109 0.000 1.175 27 A CA 1.428 53.436 52.037 -0.049 0.000 0.627 27 A CB -0.668 18.280 19.000 -0.086 0.000 0.815 27 A HN 0.465 nan 8.150 nan 0.000 0.443 28 F N -0.213 119.722 119.950 -0.025 0.000 2.163 28 F HA -0.082 4.446 4.527 0.001 0.000 0.297 28 F C 2.404 178.191 175.800 -0.021 0.000 1.094 28 F CA 1.687 59.674 58.000 -0.022 0.000 1.290 28 F CB -0.191 38.791 39.000 -0.029 0.000 1.017 28 F HN 0.309 nan 8.300 nan 0.000 0.483 29 E N 1.076 121.362 120.200 0.143 0.000 2.110 29 E HA -0.250 4.101 4.350 0.001 0.000 0.193 29 E C 1.963 178.579 176.600 0.026 0.000 0.988 29 E CA 1.429 57.871 56.400 0.071 0.000 0.804 29 E CB -0.319 29.409 29.700 0.045 0.000 0.745 29 E HN 0.248 nan 8.360 nan 0.000 0.458 30 K N -0.089 120.312 120.400 0.002 0.000 2.360 30 K HA -0.082 4.238 4.320 0.001 0.000 0.201 30 K C 1.903 178.481 176.600 -0.037 0.000 1.046 30 K CA 1.100 57.373 56.287 -0.024 0.000 0.945 30 K CB -0.189 32.287 32.500 -0.040 0.000 0.750 30 K HN 0.241 nan 8.250 nan 0.000 0.464 31 I N 0.988 121.537 120.570 -0.035 0.000 2.286 31 I HA -0.322 3.849 4.170 0.001 0.000 0.248 31 I C 1.543 177.645 176.117 -0.026 0.000 1.115 31 I CA 1.501 62.779 61.300 -0.037 0.000 1.392 31 I CB -0.380 37.609 38.000 -0.018 0.000 1.065 31 I HN 0.312 nan 8.210 nan 0.000 0.418 32 N N 0.365 119.059 118.700 -0.010 0.000 2.120 32 N HA -0.248 4.492 4.740 0.001 0.000 0.188 32 N C 1.868 177.357 175.510 -0.035 0.000 1.024 32 N CA 1.146 54.186 53.050 -0.016 0.000 0.852 32 N CB -0.121 38.364 38.487 -0.004 0.000 1.003 32 N HN 0.405 nan 8.380 nan 0.000 0.424 33 E N 1.004 121.184 120.200 -0.034 0.000 2.106 33 E HA -0.129 4.222 4.350 0.001 0.000 0.192 33 E C 1.860 178.424 176.600 -0.060 0.000 0.984 33 E CA 0.928 57.302 56.400 -0.043 0.000 0.806 33 E CB -0.029 29.650 29.700 -0.035 0.000 0.750 33 E HN 0.387 nan 8.360 nan 0.000 0.458 34 A N 1.149 123.930 122.820 -0.064 0.000 2.067 34 A HA -0.112 4.209 4.320 0.001 0.000 0.219 34 A C 2.150 179.663 177.584 -0.118 0.000 1.158 34 A CA 1.106 53.094 52.037 -0.083 0.000 0.661 34 A CB -0.387 18.569 19.000 -0.074 0.000 0.801 34 A HN 0.179 nan 8.150 nan 0.000 0.452 35 R N 0.176 120.609 120.500 -0.112 0.000 2.161 35 R HA -0.071 4.269 4.340 0.001 0.000 0.213 35 R C 2.381 178.584 176.300 -0.163 0.000 1.055 35 R CA 1.292 57.300 56.100 -0.153 0.000 0.996 35 R CB -0.193 30.045 30.300 -0.103 0.000 0.901 35 R HN 0.638 nan 8.270 nan 0.000 0.456 36 S N 0.913 116.543 115.700 -0.115 0.000 2.387 36 S HA -0.025 4.446 4.470 0.001 0.000 0.230 36 S C -0.972 173.559 174.600 -0.115 0.000 1.035 36 S CA 0.759 58.900 58.200 -0.098 0.000 1.014 36 S CB -1.042 62.117 63.200 -0.068 0.000 0.836 36 S HN 0.251 nan 8.310 nan 0.000 0.466 37 P HA 0.124 nan 4.420 nan 0.000 0.230 37 P C 0.993 178.186 177.300 -0.178 0.000 1.158 37 P CA 0.644 63.661 63.100 -0.138 0.000 0.769 37 P CB -0.195 31.421 31.700 -0.140 0.000 0.807 38 L N -2.542 118.535 121.223 -0.245 0.000 2.567 38 L HA 0.082 4.423 4.340 0.001 0.000 0.225 38 L C 0.637 177.402 176.870 -0.174 0.000 1.119 38 L CA 0.032 54.684 54.840 -0.313 0.000 0.871 38 L CB -0.145 41.572 42.059 -0.569 0.000 1.036 38 L HN -0.014 nan 8.230 nan 0.000 0.459 39 L N -0.877 120.273 121.223 -0.123 0.000 2.332 39 L HA 0.471 4.812 4.340 0.001 0.000 0.269 39 L C -2.175 174.668 176.870 -0.046 0.000 1.016 39 L CA -1.891 52.908 54.840 -0.068 0.000 0.809 39 L CB 0.383 42.406 42.059 -0.061 0.000 1.280 39 L HN -0.294 nan 8.230 nan 0.000 0.447 40 P HA 0.067 nan 4.420 nan 0.000 0.264 40 P C -1.365 175.923 177.300 -0.019 0.000 1.193 40 P CA -0.119 62.972 63.100 -0.015 0.000 0.763 40 P CB 0.307 32.004 31.700 -0.005 0.000 0.810 41 Q N 2.414 122.204 119.800 -0.017 0.000 2.322 41 Q HA 0.569 4.910 4.340 0.001 0.000 0.265 41 Q C -0.945 175.050 176.000 -0.008 0.000 0.985 41 Q CA -0.743 55.050 55.803 -0.016 0.000 0.849 41 Q CB 2.316 31.042 28.738 -0.020 0.000 1.274 41 Q HN 0.309 nan 8.270 nan 0.000 0.449 42 L N 1.177 122.396 121.223 -0.007 0.000 2.441 42 L HA 0.797 5.137 4.340 0.001 0.000 0.270 42 L C -0.823 176.045 176.870 -0.002 0.000 0.973 42 L CA -0.045 54.793 54.840 -0.002 0.000 0.842 42 L CB 1.986 44.044 42.059 -0.001 0.000 1.239 42 L HN 0.634 nan 8.230 nan 0.000 0.406 43 G N 3.570 112.370 108.800 -0.000 0.000 2.574 43 G HA2 0.594 4.555 3.960 0.001 0.000 0.299 43 G HA3 0.594 4.555 3.960 0.001 0.000 0.299 43 G C -2.228 172.674 174.900 0.003 0.000 1.298 43 G CA -0.716 44.384 45.100 0.001 0.000 0.952 43 G HN 0.618 nan 8.290 nan 0.000 0.477 44 L N 1.232 122.457 121.223 0.004 0.000 2.296 44 L HA 0.854 5.195 4.340 0.001 0.000 0.286 44 L C 0.359 177.234 176.870 0.008 0.000 1.023 44 L CA -0.317 54.527 54.840 0.006 0.000 0.812 44 L CB 1.398 43.460 42.059 0.006 0.000 1.223 44 L HN 0.730 nan 8.230 nan 0.000 0.421 45 G N 3.361 112.167 108.800 0.010 0.000 2.533 45 G HA2 0.890 4.851 3.960 0.001 0.000 0.304 45 G HA3 0.890 4.851 3.960 0.001 0.000 0.304 45 G C -1.783 173.127 174.900 0.017 0.000 1.263 45 G CA -0.272 44.836 45.100 0.013 0.000 0.964 45 G HN 1.096 nan 8.290 nan 0.000 0.479 46 A N 1.272 124.105 122.820 0.022 0.000 2.565 46 A HA 0.703 5.023 4.320 0.001 0.000 0.298 46 A C -1.423 176.186 177.584 0.041 0.000 1.062 46 A CA -0.615 51.440 52.037 0.030 0.000 0.723 46 A CB 1.477 20.494 19.000 0.029 0.000 1.282 46 A HN 1.012 nan 8.150 nan 0.000 0.400 47 D N 0.105 120.537 120.400 0.053 0.000 2.615 47 D HA 0.538 5.179 4.640 0.001 0.000 0.267 47 D C -1.404 174.970 176.300 0.123 0.000 1.236 47 D CA -0.308 53.739 54.000 0.078 0.000 0.839 47 D CB 1.877 42.706 40.800 0.048 0.000 1.380 47 D HN 0.670 nan 8.370 nan 0.000 0.433 48 Y N -0.036 120.269 120.300 0.010 0.000 2.406 48 Y HA 0.497 5.047 4.550 0.001 0.000 0.340 48 Y C -1.562 174.353 175.900 0.025 0.000 0.975 48 Y CA -0.093 58.016 58.100 0.014 0.000 1.056 48 Y CB 2.362 40.830 38.460 0.015 0.000 1.210 48 Y HN 0.427 nan 8.280 nan 0.000 0.448 49 T N 6.270 120.402 114.554 -0.704 0.000 2.893 49 T HA 0.301 4.652 4.350 0.001 0.000 0.293 49 T C -2.043 172.285 174.700 -0.621 0.000 1.027 49 T CA -0.577 61.218 62.100 -0.508 0.000 0.988 49 T CB 1.204 69.924 68.868 -0.247 0.000 1.043 49 T HN 0.584 nan 8.240 nan 0.000 0.461 50 Y N 1.822 121.857 120.300 -0.441 0.000 2.364 50 Y HA 0.609 5.159 4.550 0.001 0.000 0.340 50 Y C -0.587 175.233 175.900 -0.133 0.000 0.975 50 Y CA -0.464 57.481 58.100 -0.259 0.000 1.089 50 Y CB 1.287 39.698 38.460 -0.082 0.000 1.192 50 Y HN 0.698 nan 8.280 nan 0.000 0.454 51 S N 5.743 120.916 115.700 -0.879 0.000 2.542 51 S HA 0.419 4.890 4.470 0.001 0.000 0.293 51 S C -1.411 172.706 174.600 -0.806 0.000 1.089 51 S CA -1.131 56.686 58.200 -0.638 0.000 0.961 51 S CB 1.598 64.595 63.200 -0.339 0.000 1.062 51 S HN 0.734 nan 8.310 nan 0.000 0.483 52 N N 1.348 119.794 118.700 -0.424 0.000 2.577 52 N HA 0.255 4.996 4.740 0.001 0.000 0.275 52 N C -0.091 175.393 175.510 -0.044 0.000 1.091 52 N CA -0.331 52.591 53.050 -0.213 0.000 0.843 52 N CB 1.453 39.903 38.487 -0.063 0.000 1.295 52 N HN 0.806 nan 8.380 nan 0.000 0.530 53 G N 1.941 110.702 108.800 -0.066 0.000 2.636 53 G HA2 0.369 4.330 3.960 0.001 0.000 0.246 53 G HA3 0.369 4.330 3.960 0.001 0.000 0.246 53 G C -0.849 174.090 174.900 0.065 0.000 1.216 53 G CA 0.142 45.200 45.100 -0.069 0.000 0.854 53 G HN 0.715 nan 8.290 nan 0.000 0.572 54 Y N -1.898 118.381 120.300 -0.035 0.000 2.779 54 Y HA 0.623 5.174 4.550 0.001 0.000 0.340 54 Y C 0.127 176.017 175.900 -0.017 0.000 1.252 54 Y CA -1.461 56.626 58.100 -0.022 0.000 1.072 54 Y CB 0.859 39.309 38.460 -0.016 0.000 1.343 54 Y HN 0.792 nan 8.280 nan 0.000 0.450 55 R N 2.906 123.588 120.500 0.303 0.000 2.672 55 R HA -0.262 4.079 4.340 0.001 0.000 0.268 55 R C -0.260 176.064 176.300 0.040 0.000 0.935 55 R CA 1.683 57.889 56.100 0.176 0.000 0.776 55 R CB -1.302 29.161 30.300 0.272 0.000 1.954 55 R HN 1.079 nan 8.270 nan 0.000 0.523 56 D N -0.272 120.145 120.400 0.028 0.000 3.070 56 D HA -0.220 4.421 4.640 0.001 0.000 0.210 56 D C -0.181 176.107 176.300 -0.021 0.000 1.103 56 D CA 1.536 55.537 54.000 0.001 0.000 0.980 56 D CB -0.944 39.854 40.800 -0.004 0.000 1.100 56 D HN 0.788 nan 8.370 nan 0.000 0.423 57 A N -0.230 122.571 122.820 -0.032 0.000 2.631 57 A HA 0.146 4.466 4.320 0.001 0.000 0.258 57 A C 0.274 177.832 177.584 -0.044 0.000 1.027 57 A CA 0.232 52.235 52.037 -0.057 0.000 1.015 57 A CB 0.263 19.210 19.000 -0.090 0.000 1.206 57 A HN 0.182 nan 8.150 nan 0.000 0.556 58 N N 0.943 119.646 118.700 0.005 0.000 2.407 58 N HA 0.332 5.073 4.740 0.001 0.000 0.250 58 N C 1.330 176.833 175.510 -0.012 0.000 1.236 58 N CA 2.273 55.342 53.050 0.031 0.000 0.879 58 N CB 0.567 39.088 38.487 0.056 0.000 1.088 58 N HN 1.078 nan 8.380 nan 0.000 0.450 59 G N 2.361 111.154 108.800 -0.012 0.000 2.217 59 G HA2 -0.229 3.732 3.960 0.001 0.000 0.246 59 G HA3 -0.229 3.732 3.960 0.001 0.000 0.246 59 G C 0.190 175.043 174.900 -0.078 0.000 0.990 59 G CA 0.273 45.353 45.100 -0.034 0.000 0.627 59 G HN 0.685 nan 8.290 nan 0.000 0.522 60 I N 1.536 122.041 120.570 -0.107 0.000 2.382 60 I HA 0.537 4.708 4.170 0.001 0.000 0.285 60 I C -0.641 175.426 176.117 -0.084 0.000 1.007 60 I CA -0.876 60.331 61.300 -0.155 0.000 1.142 60 I CB 0.615 38.427 38.000 -0.315 0.000 1.289 60 I HN 0.258 nan 8.210 nan 0.000 0.453 61 N N 4.499 123.172 118.700 -0.045 0.000 2.469 61 N HA 0.747 5.488 4.740 0.001 0.000 0.286 61 N C -1.520 173.939 175.510 -0.086 0.000 1.275 61 N CA -0.720 52.275 53.050 -0.093 0.000 0.790 61 N CB 2.128 40.601 38.487 -0.023 0.000 1.446 61 N HN 0.612 nan 8.380 nan 0.000 0.501 62 S N -0.344 115.224 115.700 -0.220 0.000 2.597 62 S HA 0.485 4.956 4.470 0.001 0.000 0.274 62 S C -2.194 172.281 174.600 -0.208 0.000 1.132 62 S CA -1.180 56.852 58.200 -0.279 0.000 0.835 62 S CB 1.129 63.980 63.200 -0.581 0.000 1.092 62 S HN 0.747 nan 8.310 nan 0.000 0.457 63 N N 0.033 118.643 118.700 -0.149 0.000 2.533 63 N HA 0.672 5.413 4.740 0.001 0.000 0.289 63 N C -0.754 174.648 175.510 -0.179 0.000 1.103 63 N CA -0.441 52.527 53.050 -0.137 0.000 0.877 63 N CB 1.579 40.110 38.487 0.073 0.000 1.419 63 N HN 1.010 nan 8.380 nan 0.000 0.517 64 A N 1.283 123.943 122.820 -0.266 0.000 2.282 64 A HA 0.841 5.162 4.320 0.001 0.000 0.319 64 A C -0.306 177.210 177.584 -0.114 0.000 1.121 64 A CA -0.377 51.556 52.037 -0.174 0.000 0.836 64 A CB 0.845 19.744 19.000 -0.168 0.000 1.146 64 A HN 0.612 nan 8.150 nan 0.000 0.494 65 T N 1.113 115.661 114.554 -0.010 0.000 2.928 65 T HA 0.637 4.987 4.350 0.001 0.000 0.296 65 T C -0.631 174.089 174.700 0.033 0.000 1.000 65 T CA -0.257 61.882 62.100 0.064 0.000 0.989 65 T CB 1.211 70.150 68.868 0.118 0.000 1.005 65 T HN 1.065 nan 8.240 nan 0.000 0.442 66 S N 1.322 117.043 115.700 0.035 0.000 2.627 66 S HA 0.984 5.454 4.470 0.001 0.000 0.283 66 S C -1.206 173.411 174.600 0.028 0.000 1.127 66 S CA -1.101 57.113 58.200 0.023 0.000 0.863 66 S CB 2.199 65.406 63.200 0.010 0.000 1.121 66 S HN 1.137 nan 8.310 nan 0.000 0.479 67 A N 0.867 123.700 122.820 0.022 0.000 2.547 67 A HA 0.830 5.151 4.320 0.001 0.000 0.298 67 A C -0.649 176.945 177.584 0.016 0.000 1.062 67 A CA -0.369 51.681 52.037 0.021 0.000 0.748 67 A CB 0.917 19.930 19.000 0.023 0.000 1.288 67 A HN 2.029 nan 8.150 nan 0.000 0.396 68 S N 1.353 117.061 115.700 0.014 0.000 2.547 68 S HA 0.755 5.226 4.470 0.001 0.000 0.270 68 S C -1.188 173.419 174.600 0.010 0.000 1.150 68 S CA -0.816 57.391 58.200 0.012 0.000 0.850 68 S CB 1.043 64.250 63.200 0.011 0.000 1.118 68 S HN 0.859 nan 8.310 nan 0.000 0.461 69 L N 2.096 123.325 121.223 0.010 0.000 2.264 69 L HA 0.489 4.830 4.340 0.001 0.000 0.289 69 L C -0.028 176.847 176.870 0.008 0.000 1.044 69 L CA -0.381 54.464 54.840 0.008 0.000 0.807 69 L CB 1.265 43.329 42.059 0.008 0.000 1.192 69 L HN 0.716 nan 8.230 nan 0.000 0.425 70 Q N 4.043 123.848 119.800 0.007 0.000 2.345 70 Q HA 0.717 5.058 4.340 0.001 0.000 0.268 70 Q C -1.172 174.831 176.000 0.006 0.000 1.054 70 Q CA -0.818 54.989 55.803 0.007 0.000 0.835 70 Q CB 3.490 32.232 28.738 0.007 0.000 1.339 70 Q HN 0.476 nan 8.270 nan 0.000 0.447 71 L N 0.612 121.839 121.223 0.007 0.000 2.431 71 L HA 0.687 5.028 4.340 0.001 0.000 0.266 71 L C -1.180 175.695 176.870 0.008 0.000 0.978 71 L CA -0.201 54.643 54.840 0.006 0.000 0.822 71 L CB 2.415 44.479 42.059 0.008 0.000 1.310 71 L HN 0.826 nan 8.230 nan 0.000 0.409 72 T N 0.873 115.429 114.554 0.004 0.000 2.893 72 T HA 0.758 5.109 4.350 0.001 0.000 0.291 72 T C -0.885 173.817 174.700 0.004 0.000 1.028 72 T CA -0.652 61.451 62.100 0.006 0.000 0.995 72 T CB 1.875 70.743 68.868 0.001 0.000 1.051 72 T HN 0.643 nan 8.240 nan 0.000 0.470 73 Q N 1.017 120.824 119.800 0.012 0.000 2.281 73 Q HA 0.511 4.852 4.340 0.001 0.000 0.263 73 Q C -1.044 174.972 176.000 0.027 0.000 0.989 73 Q CA -0.308 55.503 55.803 0.014 0.000 0.852 73 Q CB 2.336 31.088 28.738 0.024 0.000 1.337 73 Q HN 0.862 nan 8.270 nan 0.000 0.418 74 S N 4.713 120.421 115.700 0.013 0.000 2.528 74 S HA 0.384 4.855 4.470 0.001 0.000 0.277 74 S C 0.557 175.210 174.600 0.087 0.000 1.297 74 S CA -0.379 57.838 58.200 0.029 0.000 1.052 74 S CB 0.200 63.380 63.200 -0.033 0.000 0.917 74 S HN 0.663 nan 8.310 nan 0.000 0.492 75 I N 3.332 123.985 120.570 0.139 0.000 3.136 75 I HA 0.339 4.510 4.170 0.001 0.000 0.262 75 I C 0.144 176.445 176.117 0.308 0.000 1.132 75 I CA 0.591 62.010 61.300 0.198 0.000 1.450 75 I CB -0.495 37.613 38.000 0.180 0.000 1.315 75 I HN 0.643 nan 8.210 nan 0.000 0.460 76 F N 1.877 121.908 119.950 0.134 0.000 2.539 76 F HA 0.534 5.061 4.527 0.001 0.000 0.328 76 F C -0.906 174.973 175.800 0.131 0.000 1.148 76 F CA -0.498 57.593 58.000 0.150 0.000 0.940 76 F CB 0.977 40.047 39.000 0.117 0.000 1.194 76 F HN -0.058 nan 8.300 nan 0.000 0.438 80 K N 0.493 120.832 120.400 -0.102 0.000 2.228 80 K HA 0.202 4.523 4.320 0.001 0.000 0.202 80 K C 1.267 177.707 176.600 -0.266 0.000 1.051 80 K CA 1.302 57.468 56.287 -0.202 0.000 0.960 80 K CB -0.174 32.157 32.500 -0.283 0.000 0.743 80 K HN 0.500 nan 8.250 nan 0.000 0.458 81 W N 1.064 122.301 121.300 -0.105 0.000 2.409 81 W HA -0.046 4.614 4.660 0.001 0.000 0.299 81 W C 2.400 178.878 176.519 -0.069 0.000 1.203 81 W CA 0.461 57.755 57.345 -0.085 0.000 1.298 81 W CB -0.061 29.339 29.460 -0.099 0.000 1.127 81 W HN -0.041 nan 8.180 nan 0.000 0.528 82 R N 1.008 121.589 120.500 0.135 0.000 2.091 82 R HA -0.139 4.201 4.340 0.001 0.000 0.238 82 R C 2.170 178.479 176.300 0.015 0.000 1.136 82 R CA 2.038 58.174 56.100 0.060 0.000 0.959 82 R CB -1.029 29.285 30.300 0.024 0.000 0.856 82 R HN 0.083 nan 8.270 nan 0.000 0.437 83 A N 0.316 123.124 122.820 -0.021 0.000 1.902 83 A HA -0.138 4.183 4.320 0.001 0.000 0.217 83 A C 2.029 179.586 177.584 -0.045 0.000 1.181 83 A CA 1.502 53.513 52.037 -0.043 0.000 0.623 83 A CB -0.730 18.230 19.000 -0.068 0.000 0.818 83 A HN 0.365 nan 8.150 nan 0.000 0.443 84 L N 0.607 121.798 121.223 -0.053 0.000 2.017 84 L HA -0.153 4.187 4.340 0.001 0.000 0.208 84 L C 2.754 179.623 176.870 -0.002 0.000 1.073 84 L CA 3.165 57.978 54.840 -0.044 0.000 0.745 84 L CB -1.175 40.848 42.059 -0.060 0.000 0.894 84 L HN 0.576 nan 8.230 nan 0.000 0.432 85 T N -3.045 111.531 114.554 0.037 0.000 2.746 85 T HA -0.176 4.175 4.350 0.001 0.000 0.267 85 T C 1.967 176.669 174.700 0.003 0.000 1.039 85 T CA 1.228 63.349 62.100 0.036 0.000 1.142 85 T CB -0.751 68.152 68.868 0.058 0.000 0.866 85 T HN 0.183 nan 8.240 nan 0.000 0.444 86 L N 1.512 122.733 121.223 -0.004 0.000 2.043 86 L HA -0.053 4.287 4.340 0.001 0.000 0.212 86 L C 2.861 179.708 176.870 -0.039 0.000 1.075 86 L CA 1.727 56.557 54.840 -0.017 0.000 0.752 86 L CB -1.645 40.404 42.059 -0.017 0.000 0.891 86 L HN 0.350 nan 8.230 nan 0.000 0.432 87 Q N -0.182 119.587 119.800 -0.051 0.000 2.167 87 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 87 Q C 2.090 178.021 176.000 -0.114 0.000 0.970 87 Q CA 1.530 57.285 55.803 -0.078 0.000 0.855 87 Q CB -0.018 28.674 28.738 -0.076 0.000 0.911 87 Q HN 0.554 nan 8.270 nan 0.000 0.438 88 E N -0.334 119.815 120.200 -0.085 0.000 2.106 88 E HA -0.151 4.200 4.350 0.001 0.000 0.192 88 E C 1.866 178.393 176.600 -0.120 0.000 0.984 88 E CA 1.057 57.395 56.400 -0.105 0.000 0.806 88 E CB 0.025 29.705 29.700 -0.034 0.000 0.750 88 E HN 0.281 nan 8.360 nan 0.000 0.458 89 K N 0.378 120.736 120.400 -0.071 0.000 2.097 89 K HA -0.046 4.275 4.320 0.001 0.000 0.205 89 K C 2.133 178.688 176.600 -0.075 0.000 1.050 89 K CA 0.929 57.185 56.287 -0.051 0.000 0.938 89 K CB -0.023 32.467 32.500 -0.017 0.000 0.718 89 K HN 0.037 nan 8.250 nan 0.000 0.442 90 A N 1.386 124.150 122.820 -0.094 0.000 1.930 90 A HA -0.064 4.256 4.320 0.001 0.000 0.217 90 A C 2.319 179.804 177.584 -0.164 0.000 1.175 90 A CA 1.676 53.655 52.037 -0.097 0.000 0.627 90 A CB -0.515 18.435 19.000 -0.084 0.000 0.815 90 A HN 0.313 nan 8.150 nan 0.000 0.443 91 A N -0.411 122.227 122.820 -0.302 0.000 1.930 91 A HA 0.182 4.503 4.320 0.001 0.000 0.217 91 A C 2.377 179.702 177.584 -0.432 0.000 1.175 91 A CA 1.739 53.411 52.037 -0.607 0.000 0.627 91 A CB -1.295 16.988 19.000 -1.195 0.000 0.815 91 A HN 0.670 nan 8.150 nan 0.000 0.443 92 G N 0.209 108.873 108.800 -0.227 0.000 2.446 92 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 92 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 92 G C 1.524 176.433 174.900 0.015 0.000 1.168 92 G CA 1.184 46.262 45.100 -0.036 0.000 0.771 92 G HN 0.467 nan 8.290 nan 0.000 0.551 93 I N -0.035 120.528 120.570 -0.012 0.000 2.179 93 I HA -0.188 3.983 4.170 0.001 0.000 0.242 93 I C 2.861 179.003 176.117 0.042 0.000 1.088 93 I CA 1.256 62.566 61.300 0.016 0.000 1.357 93 I CB -0.134 37.867 38.000 0.002 0.000 1.051 93 I HN 0.141 nan 8.210 nan 0.000 0.409 94 Q N 0.693 120.508 119.800 0.026 0.000 2.170 94 Q HA -0.249 4.092 4.340 0.001 0.000 0.203 94 Q C 1.610 177.708 176.000 0.163 0.000 0.976 94 Q CA 1.772 57.616 55.803 0.069 0.000 0.858 94 Q CB -0.278 28.477 28.738 0.027 0.000 0.907 94 Q HN 0.459 nan 8.270 nan 0.000 0.433 95 D N -1.729 118.793 120.400 0.204 0.000 2.117 95 D HA -0.098 4.542 4.640 0.001 0.000 0.198 95 D C 1.589 178.025 176.300 0.227 0.000 0.982 95 D CA 1.030 55.205 54.000 0.290 0.000 0.828 95 D CB 0.214 41.231 40.800 0.362 0.000 0.967 95 D HN 0.140 nan 8.370 nan 0.000 0.464 96 V N 0.107 120.113 119.914 0.153 0.000 2.453 96 V HA -0.189 3.932 4.120 0.001 0.000 0.247 96 V C 2.693 178.848 176.094 0.101 0.000 1.048 96 V CA 1.965 64.331 62.300 0.110 0.000 1.049 96 V CB -0.955 30.913 31.823 0.076 0.000 0.672 96 V HN 0.468 nan 8.190 nan 0.000 0.457 97 T N -1.147 113.473 114.554 0.110 0.000 2.788 97 T HA -0.317 4.034 4.350 0.001 0.000 0.268 97 T C 1.890 176.670 174.700 0.133 0.000 1.044 97 T CA 1.998 64.158 62.100 0.100 0.000 1.139 97 T CB -0.520 68.400 68.868 0.087 0.000 0.867 97 T HN 0.503 nan 8.240 nan 0.000 0.454 98 Y N 1.815 122.150 120.300 0.058 0.000 2.165 98 Y HA -0.079 4.471 4.550 0.001 0.000 0.286 98 Y C 2.682 178.611 175.900 0.049 0.000 1.155 98 Y CA 1.827 59.961 58.100 0.056 0.000 1.164 98 Y CB -0.611 37.888 38.460 0.066 0.000 0.978 98 Y HN 0.367 nan 8.280 nan 0.000 0.513 99 Q N -1.064 118.737 119.800 0.001 0.000 2.096 99 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 99 Q C 2.094 178.041 176.000 -0.088 0.000 0.982 99 Q CA 2.216 57.976 55.803 -0.073 0.000 0.850 99 Q CB -0.338 28.416 28.738 0.026 0.000 0.901 99 Q HN 0.439 nan 8.270 nan 0.000 0.422 100 T N 1.148 115.680 114.554 -0.036 0.000 2.788 100 T HA -0.139 4.212 4.350 0.001 0.000 0.268 100 T C 1.045 175.717 174.700 -0.047 0.000 1.044 100 T CA 1.522 63.608 62.100 -0.024 0.000 1.139 100 T CB -0.202 68.671 68.868 0.008 0.000 0.867 100 T HN 0.238 nan 8.240 nan 0.000 0.454 101 D N 0.955 121.307 120.400 -0.080 0.000 2.194 101 D HA -0.002 4.638 4.640 0.001 0.000 0.204 101 D C 2.347 178.560 176.300 -0.145 0.000 0.964 101 D CA 0.732 54.681 54.000 -0.086 0.000 0.846 101 D CB -0.245 40.525 40.800 -0.049 0.000 0.962 101 D HN 0.430 nan 8.370 nan 0.000 0.490 102 Q N 0.171 119.806 119.800 -0.273 0.000 2.167 102 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 102 Q C 2.087 178.042 176.000 -0.074 0.000 0.970 102 Q CA 0.889 56.556 55.803 -0.226 0.000 0.855 102 Q CB 0.009 28.564 28.738 -0.305 0.000 0.911 102 Q HN 0.341 nan 8.270 nan 0.000 0.438 103 Q N -0.145 119.612 119.800 -0.071 0.000 2.187 103 Q HA -0.106 4.235 4.340 0.001 0.000 0.199 103 Q C 1.589 177.582 176.000 -0.013 0.000 0.957 103 Q CA 1.284 57.066 55.803 -0.035 0.000 0.857 103 Q CB 0.228 28.945 28.738 -0.035 0.000 0.929 103 Q HN 0.233 nan 8.270 nan 0.000 0.453 104 T N 1.517 116.064 114.554 -0.012 0.000 2.788 104 T HA -0.141 4.209 4.350 0.001 0.000 0.268 104 T C 1.664 176.383 174.700 0.032 0.000 1.044 104 T CA 1.113 63.218 62.100 0.008 0.000 1.139 104 T CB -0.207 68.665 68.868 0.006 0.000 0.867 104 T HN 0.233 nan 8.240 nan 0.000 0.454 105 L N 1.215 122.464 121.223 0.043 0.000 2.017 105 L HA 0.006 4.346 4.340 0.001 0.000 0.208 105 L C 2.102 179.069 176.870 0.162 0.000 1.073 105 L CA 1.558 56.455 54.840 0.095 0.000 0.745 105 L CB -0.681 41.437 42.059 0.098 0.000 0.894 105 L HN 0.285 nan 8.230 nan 0.000 0.432 106 I N -1.099 119.558 120.570 0.144 0.000 2.127 106 I HA -0.314 3.857 4.170 0.001 0.000 0.241 106 I C 2.426 178.546 176.117 0.004 0.000 1.075 106 I CA 1.513 62.821 61.300 0.013 0.000 1.334 106 I CB -0.620 37.293 38.000 -0.146 0.000 1.040 106 I HN 0.336 nan 8.210 nan 0.000 0.405 107 L N 1.128 122.358 121.223 0.012 0.000 2.042 107 L HA -0.228 4.113 4.340 0.001 0.000 0.210 107 L C 1.986 178.890 176.870 0.056 0.000 1.076 107 L CA 2.042 56.898 54.840 0.027 0.000 0.749 107 L CB -0.946 41.125 42.059 0.020 0.000 0.893 107 L HN 0.233 nan 8.230 nan 0.000 0.432 108 N N -1.905 116.832 118.700 0.061 0.000 2.216 108 N HA -0.148 4.593 4.740 0.001 0.000 0.183 108 N C 1.447 177.009 175.510 0.086 0.000 1.017 108 N CA 1.461 54.553 53.050 0.069 0.000 0.861 108 N CB -0.050 38.474 38.487 0.061 0.000 0.986 108 N HN 0.395 nan 8.380 nan 0.000 0.428 109 T N 0.768 115.385 114.554 0.104 0.000 2.737 109 T HA -0.059 4.292 4.350 0.001 0.000 0.265 109 T C 2.115 176.869 174.700 0.091 0.000 1.038 109 T CA 1.159 63.331 62.100 0.119 0.000 1.144 109 T CB -0.303 68.682 68.868 0.195 0.000 0.866 109 T HN 0.280 nan 8.240 nan 0.000 0.434 110 A N 1.467 124.324 122.820 0.062 0.000 1.877 110 A HA -0.138 4.183 4.320 0.001 0.000 0.216 110 A C 2.560 180.267 177.584 0.204 0.000 1.186 110 A CA 2.156 54.227 52.037 0.057 0.000 0.620 110 A CB -1.366 17.686 19.000 0.087 0.000 0.822 110 A HN 0.472 nan 8.150 nan 0.000 0.443 111 T N 0.419 115.090 114.554 0.194 0.000 2.684 111 T HA -0.089 4.262 4.350 0.001 0.000 0.267 111 T C 2.231 177.025 174.700 0.158 0.000 1.036 111 T CA 1.863 64.083 62.100 0.200 0.000 1.148 111 T CB -0.538 68.404 68.868 0.124 0.000 0.863 111 T HN 0.619 nan 8.240 nan 0.000 0.436 112 A N 0.376 123.260 122.820 0.106 0.000 1.902 112 A HA -0.106 4.215 4.320 0.001 0.000 0.217 112 A C 2.090 179.693 177.584 0.031 0.000 1.181 112 A CA 1.639 53.715 52.037 0.065 0.000 0.623 112 A CB -1.075 17.962 19.000 0.062 0.000 0.818 112 A HN 0.584 nan 8.150 nan 0.000 0.443 113 Y N -0.459 119.769 120.300 -0.121 0.000 2.097 113 Y HA -0.265 4.286 4.550 0.001 0.000 0.282 113 Y C 2.006 177.727 175.900 -0.299 0.000 1.152 113 Y CA 2.216 60.157 58.100 -0.265 0.000 1.136 113 Y CB -0.574 37.637 38.460 -0.415 0.000 0.975 113 Y HN 0.307 nan 8.280 nan 0.000 0.498 114 F N 0.243 120.293 119.950 0.166 0.000 2.216 114 F HA -0.202 4.326 4.527 0.001 0.000 0.300 114 F C 2.161 177.810 175.800 -0.253 0.000 1.085 114 F CA 1.633 59.640 58.000 0.010 0.000 1.326 114 F CB -0.577 38.519 39.000 0.160 0.000 1.027 114 F HN 0.158 nan 8.300 nan 0.000 0.497 115 N N 0.000 118.699 118.700 -0.002 0.000 2.166 115 N HA -0.153 4.588 4.740 0.001 0.000 0.186 115 N C 1.830 177.244 175.510 -0.159 0.000 1.019 115 N CA 1.070 54.071 53.050 -0.082 0.000 0.856 115 N CB -0.159 38.316 38.487 -0.020 0.000 0.993 115 N HN 0.021 nan 8.380 nan 0.000 0.426 116 V N 1.794 121.597 119.914 -0.184 0.000 2.295 116 V HA -0.200 3.921 4.120 0.001 0.000 0.246 116 V C 2.235 178.171 176.094 -0.264 0.000 1.049 116 V CA 1.388 63.556 62.300 -0.219 0.000 1.024 116 V CB -0.519 31.137 31.823 -0.279 0.000 0.648 116 V HN 0.327 nan 8.190 nan 0.000 0.447 117 L N 0.344 121.366 121.223 -0.334 0.000 2.083 117 L HA -0.193 4.148 4.340 0.001 0.000 0.209 117 L C 2.511 179.150 176.870 -0.384 0.000 1.083 117 L CA 1.749 56.414 54.840 -0.292 0.000 0.752 117 L CB -0.709 41.256 42.059 -0.157 0.000 0.899 117 L HN 0.427 nan 8.230 nan 0.000 0.433 118 N N 0.431 118.740 118.700 -0.651 0.000 2.188 118 N HA -0.122 4.619 4.740 0.001 0.000 0.184 118 N C 1.757 177.156 175.510 -0.184 0.000 1.018 118 N CA 1.505 54.215 53.050 -0.565 0.000 0.858 118 N CB 0.062 38.216 38.487 -0.555 0.000 0.989 118 N HN 0.268 nan 8.380 nan 0.000 0.426 119 A N 0.631 123.352 122.820 -0.164 0.000 1.969 119 A HA 0.006 4.326 4.320 0.001 0.000 0.218 119 A C 2.401 179.936 177.584 -0.082 0.000 1.169 119 A CA 0.699 52.681 52.037 -0.092 0.000 0.635 119 A CB -0.560 18.391 19.000 -0.081 0.000 0.810 119 A HN 0.341 nan 8.150 nan 0.000 0.445 120 I N -0.094 120.410 120.570 -0.108 0.000 2.179 120 I HA -0.254 3.916 4.170 0.001 0.000 0.242 120 I C 1.913 177.973 176.117 -0.096 0.000 1.088 120 I CA 1.560 62.802 61.300 -0.098 0.000 1.357 120 I CB -0.394 37.541 38.000 -0.109 0.000 1.051 120 I HN 0.244 nan 8.210 nan 0.000 0.409 121 D N 0.388 120.742 120.400 -0.077 0.000 2.117 121 D HA -0.134 4.506 4.640 0.001 0.000 0.197 121 D C 2.360 178.630 176.300 -0.050 0.000 0.987 121 D CA 1.125 55.063 54.000 -0.103 0.000 0.829 121 D CB -0.320 40.534 40.800 0.090 0.000 0.961 121 D HN 0.121 nan 8.370 nan 0.000 0.460 122 V N 1.117 121.060 119.914 0.048 0.000 2.287 122 V HA -0.229 3.891 4.120 0.001 0.000 0.248 122 V C 2.495 178.618 176.094 0.048 0.000 1.053 122 V CA 1.237 63.596 62.300 0.098 0.000 1.027 122 V CB -0.493 31.363 31.823 0.055 0.000 0.646 122 V HN 0.149 nan 8.190 nan 0.000 0.447 123 L N 0.142 121.357 121.223 -0.014 0.000 2.046 123 L HA -0.123 4.217 4.340 0.001 0.000 0.208 123 L C 2.631 179.471 176.870 -0.051 0.000 1.077 123 L CA 2.468 57.289 54.840 -0.032 0.000 0.747 123 L CB -0.830 41.202 42.059 -0.044 0.000 0.896 123 L HN 0.331 nan 8.230 nan 0.000 0.432 124 S N -1.649 113.988 115.700 -0.105 0.000 2.368 124 S HA -0.227 4.244 4.470 0.001 0.000 0.225 124 S C 2.058 176.584 174.600 -0.124 0.000 1.030 124 S CA 1.351 59.458 58.200 -0.155 0.000 0.999 124 S CB -0.520 62.526 63.200 -0.256 0.000 0.844 124 S HN 0.574 nan 8.310 nan 0.000 0.459 125 Y N 2.076 122.398 120.300 0.035 0.000 2.181 125 Y HA -0.032 4.518 4.550 0.001 0.000 0.288 125 Y C 3.018 178.890 175.900 -0.046 0.000 1.146 125 Y CA 1.461 59.606 58.100 0.074 0.000 1.164 125 Y CB -1.345 37.198 38.460 0.138 0.000 0.982 125 Y HN 0.279 nan 8.280 nan 0.000 0.515 126 T N -0.194 114.410 114.554 0.083 0.000 2.746 126 T HA -0.207 4.144 4.350 0.001 0.000 0.267 126 T C 1.787 176.439 174.700 -0.080 0.000 1.039 126 T CA 1.620 63.707 62.100 -0.021 0.000 1.142 126 T CB -0.268 68.590 68.868 -0.017 0.000 0.866 126 T HN 0.421 nan 8.240 nan 0.000 0.444 127 Q N 0.709 120.474 119.800 -0.058 0.000 2.124 127 Q HA 0.024 4.364 4.340 0.001 0.000 0.202 127 Q C 2.744 178.698 176.000 -0.077 0.000 0.977 127 Q CA 1.317 57.080 55.803 -0.066 0.000 0.850 127 Q CB -0.326 28.380 28.738 -0.053 0.000 0.901 127 Q HN 0.553 nan 8.270 nan 0.000 0.429 128 A N 1.185 123.962 122.820 -0.070 0.000 1.902 128 A HA -0.268 4.053 4.320 0.001 0.000 0.217 128 A C 2.045 179.431 177.584 -0.331 0.000 1.181 128 A CA 1.616 53.616 52.037 -0.062 0.000 0.623 128 A CB -0.604 18.495 19.000 0.165 0.000 0.818 128 A HN 0.402 nan 8.150 nan 0.000 0.443 129 Q N -0.170 119.196 119.800 -0.723 0.000 2.124 129 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 129 Q C 2.131 177.966 176.000 -0.276 0.000 0.977 129 Q CA 1.937 57.197 55.803 -0.904 0.000 0.850 129 Q CB -0.174 28.062 28.738 -0.836 0.000 0.901 129 Q HN 0.695 nan 8.270 nan 0.000 0.429 130 K N 0.383 120.694 120.400 -0.149 0.000 2.009 130 K HA -0.225 4.095 4.320 0.001 0.000 0.210 130 K C 1.760 178.454 176.600 0.157 0.000 1.049 130 K CA 1.976 58.272 56.287 0.015 0.000 0.929 130 K CB -0.028 32.454 32.500 -0.030 0.000 0.714 130 K HN 0.298 nan 8.250 nan 0.000 0.440 131 E N -0.015 120.229 120.200 0.073 0.000 2.077 131 E HA -0.187 4.164 4.350 0.001 0.000 0.193 131 E C 1.997 178.690 176.600 0.154 0.000 0.989 131 E CA 1.109 57.582 56.400 0.121 0.000 0.800 131 E CB -0.157 29.579 29.700 0.060 0.000 0.746 131 E HN 0.453 nan 8.360 nan 0.000 0.452 132 A N 1.092 123.962 122.820 0.083 0.000 1.902 132 A HA -0.163 4.158 4.320 0.001 0.000 0.217 132 A C 2.186 179.834 177.584 0.107 0.000 1.181 132 A CA 1.105 53.208 52.037 0.110 0.000 0.623 132 A CB -0.544 18.545 19.000 0.148 0.000 0.818 132 A HN 0.138 nan 8.150 nan 0.000 0.443 133 I N -2.137 118.502 120.570 0.115 0.000 2.315 133 I HA -0.231 3.939 4.170 0.001 0.000 0.248 133 I C 2.417 178.583 176.117 0.082 0.000 1.117 133 I CA 1.496 62.871 61.300 0.125 0.000 1.404 133 I CB -0.396 37.720 38.000 0.193 0.000 1.071 133 I HN 0.520 nan 8.210 nan 0.000 0.419 134 Y N 2.031 122.334 120.300 0.006 0.000 2.128 134 Y HA -0.265 4.286 4.550 0.001 0.000 0.284 134 Y C 2.698 178.525 175.900 -0.122 0.000 1.154 134 Y CA 1.624 59.605 58.100 -0.199 0.000 1.149 134 Y CB -0.216 38.186 38.460 -0.097 0.000 0.976 134 Y HN -0.034 nan 8.280 nan 0.000 0.505 135 R N -0.345 120.164 120.500 0.015 0.000 2.096 135 R HA -0.187 4.153 4.340 0.001 0.000 0.235 135 R C 2.266 178.505 176.300 -0.100 0.000 1.127 135 R CA 1.514 57.584 56.100 -0.051 0.000 0.968 135 R CB -0.299 30.035 30.300 0.056 0.000 0.861 135 R HN 0.431 nan 8.270 nan 0.000 0.440 136 Q N 0.601 120.366 119.800 -0.059 0.000 2.050 136 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 136 Q C 2.213 178.151 176.000 -0.104 0.000 0.980 136 Q CA 1.127 56.902 55.803 -0.046 0.000 0.840 136 Q CB -0.395 28.332 28.738 -0.018 0.000 0.898 136 Q HN 0.218 nan 8.270 nan 0.000 0.424 137 L N 1.461 122.567 121.223 -0.195 0.000 2.017 137 L HA -0.193 4.148 4.340 0.001 0.000 0.208 137 L C 1.859 178.555 176.870 -0.290 0.000 1.073 137 L CA 2.251 56.937 54.840 -0.258 0.000 0.745 137 L CB -0.817 41.008 42.059 -0.390 0.000 0.894 137 L HN 0.137 nan 8.230 nan 0.000 0.432 138 D N -1.329 118.813 120.400 -0.429 0.000 2.097 138 D HA -0.288 4.352 4.640 0.001 0.000 0.195 138 D C 2.208 178.416 176.300 -0.154 0.000 0.989 138 D CA 1.588 55.378 54.000 -0.350 0.000 0.827 138 D CB -0.124 40.414 40.800 -0.437 0.000 0.966 138 D HN 0.609 nan 8.370 nan 0.000 0.456 139 Q N -0.682 119.054 119.800 -0.108 0.000 2.119 139 Q HA -0.121 4.219 4.340 0.001 0.000 0.201 139 Q C 1.652 177.656 176.000 0.006 0.000 0.972 139 Q CA 1.735 57.519 55.803 -0.033 0.000 0.847 139 Q CB -0.153 28.579 28.738 -0.009 0.000 0.903 139 Q HN 0.181 nan 8.270 nan 0.000 0.433 140 T N 0.414 114.974 114.554 0.011 0.000 2.821 140 T HA -0.095 4.256 4.350 0.001 0.000 0.267 140 T C 1.761 176.510 174.700 0.081 0.000 1.046 140 T CA 1.607 63.745 62.100 0.063 0.000 1.139 140 T CB -0.387 68.509 68.868 0.048 0.000 0.871 140 T HN 0.387 nan 8.240 nan 0.000 0.454 141 T N 1.847 116.418 114.554 0.029 0.000 2.746 141 T HA -0.117 4.234 4.350 0.001 0.000 0.267 141 T C 2.069 176.836 174.700 0.112 0.000 1.039 141 T CA 0.954 63.097 62.100 0.071 0.000 1.142 141 T CB -0.230 68.631 68.868 -0.012 0.000 0.866 141 T HN 0.226 nan 8.240 nan 0.000 0.444 142 Q N 1.179 121.004 119.800 0.041 0.000 2.050 142 Q HA -0.064 4.276 4.340 0.001 0.000 0.202 142 Q C 2.397 178.409 176.000 0.019 0.000 0.980 142 Q CA 1.486 57.303 55.803 0.022 0.000 0.840 142 Q CB -0.144 28.593 28.738 -0.003 0.000 0.898 142 Q HN 0.498 nan 8.270 nan 0.000 0.424 143 R N -0.687 119.835 120.500 0.036 0.000 2.092 143 R HA -0.119 4.222 4.340 0.001 0.000 0.231 143 R C 2.252 178.573 176.300 0.035 0.000 1.119 143 R CA 1.272 57.385 56.100 0.022 0.000 0.970 143 R CB -0.512 29.806 30.300 0.030 0.000 0.864 143 R HN 0.226 nan 8.270 nan 0.000 0.440 144 F N 2.408 122.351 119.950 -0.012 0.000 2.095 144 F HA -0.183 4.345 4.527 0.001 0.000 0.298 144 F C 1.803 177.596 175.800 -0.012 0.000 1.104 144 F CA 1.439 59.434 58.000 -0.008 0.000 1.232 144 F CB -0.383 38.614 39.000 -0.006 0.000 0.987 144 F HN -0.053 nan 8.300 nan 0.000 0.475 145 N N 0.214 118.748 118.700 -0.276 0.000 2.223 145 N HA -0.156 4.585 4.740 0.001 0.000 0.185 145 N C 1.724 177.069 175.510 -0.274 0.000 1.016 145 N CA 1.471 54.328 53.050 -0.322 0.000 0.863 145 N CB -0.207 38.228 38.487 -0.086 0.000 0.983 145 N HN 0.322 nan 8.380 nan 0.000 0.429 146 V N 0.009 119.811 119.914 -0.187 0.000 3.596 146 V HA 0.223 4.344 4.120 0.001 0.000 0.289 146 V C 0.987 176.995 176.094 -0.144 0.000 1.336 146 V CA 0.800 63.017 62.300 -0.138 0.000 1.137 146 V CB -0.420 31.355 31.823 -0.081 0.000 0.966 146 V HN 0.450 nan 8.190 nan 0.000 0.428 147 G N 0.215 108.892 108.800 -0.204 0.000 2.143 147 G HA2 -0.261 3.699 3.960 0.001 0.000 0.249 147 G HA3 -0.261 3.699 3.960 0.001 0.000 0.249 147 G C 0.598 175.451 174.900 -0.078 0.000 0.981 147 G CA 0.612 45.620 45.100 -0.154 0.000 0.665 147 G HN 0.516 nan 8.290 nan 0.000 0.528 148 L N -0.504 120.684 121.223 -0.059 0.000 2.416 148 L HA 0.375 4.715 4.340 0.001 0.000 0.216 148 L C 1.320 178.182 176.870 -0.013 0.000 1.098 148 L CA 1.034 55.849 54.840 -0.042 0.000 0.840 148 L CB 0.225 42.252 42.059 -0.053 0.000 0.981 148 L HN 0.489 nan 8.230 nan 0.000 0.462 149 V N -4.437 115.507 119.914 0.050 0.000 3.114 149 V HA 0.834 4.955 4.120 0.001 0.000 0.308 149 V C -0.164 176.058 176.094 0.214 0.000 1.168 149 V CA -1.116 61.248 62.300 0.108 0.000 1.015 149 V CB 1.449 33.357 31.823 0.141 0.000 1.050 149 V HN -0.061 nan 8.190 nan 0.000 0.433 150 A N 1.789 124.719 122.820 0.184 0.000 2.346 150 A HA 0.599 4.920 4.320 0.001 0.000 0.252 150 A C 1.006 178.687 177.584 0.161 0.000 1.089 150 A CA 0.187 52.344 52.037 0.200 0.000 0.797 150 A CB 0.172 19.236 19.000 0.107 0.000 1.047 150 A HN 1.417 nan 8.150 nan 0.000 0.494 151 I N 0.394 120.970 120.570 0.010 0.000 2.493 151 I HA -0.152 4.019 4.170 0.001 0.000 0.254 151 I C 2.452 178.442 176.117 -0.211 0.000 1.160 151 I CA 1.877 62.924 61.300 -0.422 0.000 1.445 151 I CB 0.003 37.661 38.000 -0.569 0.000 1.086 151 I HN 0.880 nan 8.210 nan 0.000 0.433 152 T N 0.044 114.550 114.554 -0.079 0.000 2.778 152 T HA -0.249 4.102 4.350 0.001 0.000 0.269 152 T C 1.451 176.130 174.700 -0.035 0.000 1.050 152 T CA 2.363 64.437 62.100 -0.045 0.000 1.137 152 T CB -0.359 68.504 68.868 -0.009 0.000 0.860 152 T HN 0.409 nan 8.240 nan 0.000 0.468 153 D N 0.338 120.735 120.400 -0.005 0.000 2.149 153 D HA -0.004 4.637 4.640 0.001 0.000 0.201 153 D C 2.312 178.594 176.300 -0.029 0.000 0.972 153 D CA 0.881 54.889 54.000 0.012 0.000 0.835 153 D CB -0.501 40.366 40.800 0.111 0.000 0.966 153 D HN 0.367 nan 8.370 nan 0.000 0.476 154 V N 0.782 120.654 119.914 -0.070 0.000 2.343 154 V HA -0.263 3.858 4.120 0.001 0.000 0.247 154 V C 2.365 178.400 176.094 -0.099 0.000 1.051 154 V CA 1.651 63.888 62.300 -0.106 0.000 1.036 154 V CB -0.580 31.121 31.823 -0.203 0.000 0.654 154 V HN 0.190 nan 8.190 nan 0.000 0.451 155 Q N -0.027 119.710 119.800 -0.106 0.000 2.079 155 Q HA -0.168 4.172 4.340 0.001 0.000 0.200 155 Q C 2.264 178.239 176.000 -0.043 0.000 0.974 155 Q CA 1.607 57.365 55.803 -0.075 0.000 0.840 155 Q CB -0.254 28.436 28.738 -0.080 0.000 0.898 155 Q HN 0.616 nan 8.270 nan 0.000 0.430 156 N N 0.668 119.343 118.700 -0.041 0.000 2.120 156 N HA -0.130 4.611 4.740 0.001 0.000 0.188 156 N C 1.597 177.094 175.510 -0.021 0.000 1.024 156 N CA 1.415 54.447 53.050 -0.029 0.000 0.852 156 N CB -0.376 38.089 38.487 -0.037 0.000 1.003 156 N HN 0.248 nan 8.380 nan 0.000 0.424 157 A N 1.019 123.820 122.820 -0.032 0.000 1.930 157 A HA -0.099 4.222 4.320 0.001 0.000 0.217 157 A C 2.275 179.872 177.584 0.021 0.000 1.175 157 A CA 1.402 53.428 52.037 -0.018 0.000 0.627 157 A CB -0.378 18.592 19.000 -0.050 0.000 0.815 157 A HN 0.166 nan 8.150 nan 0.000 0.443 158 R N 0.420 120.925 120.500 0.008 0.000 2.081 158 R HA -0.040 4.300 4.340 0.001 0.000 0.235 158 R C 2.103 178.465 176.300 0.103 0.000 1.131 158 R CA 2.033 58.170 56.100 0.062 0.000 0.960 158 R CB -0.917 29.396 30.300 0.020 0.000 0.856 158 R HN 0.370 nan 8.270 nan 0.000 0.436 159 A N -0.075 122.774 122.820 0.049 0.000 1.902 159 A HA -0.213 4.108 4.320 0.001 0.000 0.217 159 A C 2.155 179.768 177.584 0.049 0.000 1.181 159 A CA 1.675 53.736 52.037 0.039 0.000 0.623 159 A CB -0.637 18.370 19.000 0.013 0.000 0.818 159 A HN 0.516 nan 8.150 nan 0.000 0.443 160 Q N -1.902 117.931 119.800 0.056 0.000 2.079 160 Q HA -0.181 4.160 4.340 0.001 0.000 0.200 160 Q C 1.856 177.911 176.000 0.092 0.000 0.974 160 Q CA 1.881 57.717 55.803 0.055 0.000 0.840 160 Q CB -0.478 28.289 28.738 0.049 0.000 0.898 160 Q HN 0.716 nan 8.270 nan 0.000 0.430 161 Y N 1.148 121.447 120.300 -0.001 0.000 2.128 161 Y HA -0.276 4.274 4.550 0.001 0.000 0.284 161 Y C 1.565 177.471 175.900 0.010 0.000 1.154 161 Y CA 2.206 60.315 58.100 0.014 0.000 1.149 161 Y CB -0.310 38.171 38.460 0.035 0.000 0.976 161 Y HN 0.227 nan 8.280 nan 0.000 0.505 162 D N -0.968 119.439 120.400 0.012 0.000 2.144 162 D HA -0.156 4.485 4.640 0.001 0.000 0.199 162 D C 2.133 178.368 176.300 -0.108 0.000 0.984 162 D CA 1.925 55.871 54.000 -0.091 0.000 0.834 162 D CB -0.496 40.303 40.800 -0.001 0.000 0.955 162 D HN 0.385 nan 8.370 nan 0.000 0.465 163 T N 0.470 114.989 114.554 -0.058 0.000 2.746 163 T HA -0.127 4.224 4.350 0.001 0.000 0.267 163 T C 2.059 176.709 174.700 -0.083 0.000 1.039 163 T CA 0.917 62.985 62.100 -0.053 0.000 1.142 163 T CB -0.389 68.465 68.868 -0.024 0.000 0.866 163 T HN 0.013 nan 8.240 nan 0.000 0.444 164 V N 1.194 121.045 119.914 -0.106 0.000 2.548 164 V HA -0.013 4.108 4.120 0.001 0.000 0.249 164 V C 2.187 178.172 176.094 -0.182 0.000 1.055 164 V CA 1.231 63.457 62.300 -0.123 0.000 1.065 164 V CB -0.565 31.198 31.823 -0.100 0.000 0.681 164 V HN 0.482 nan 8.190 nan 0.000 0.462 165 L N 0.210 121.260 121.223 -0.289 0.000 2.042 165 L HA -0.139 4.202 4.340 0.001 0.000 0.210 165 L C 2.803 179.581 176.870 -0.154 0.000 1.076 165 L CA 1.766 56.443 54.840 -0.272 0.000 0.749 165 L CB -0.891 40.964 42.059 -0.340 0.000 0.893 165 L HN 0.452 nan 8.230 nan 0.000 0.432 166 A N 0.119 122.867 122.820 -0.121 0.000 1.930 166 A HA -0.191 4.130 4.320 0.001 0.000 0.217 166 A C 2.002 179.547 177.584 -0.066 0.000 1.175 166 A CA 1.687 53.677 52.037 -0.078 0.000 0.627 166 A CB -0.510 18.455 19.000 -0.059 0.000 0.815 166 A HN 0.427 nan 8.150 nan 0.000 0.443 167 N N -0.044 118.616 118.700 -0.068 0.000 2.166 167 N HA -0.176 4.564 4.740 0.001 0.000 0.186 167 N C 1.651 177.131 175.510 -0.051 0.000 1.019 167 N CA 1.470 54.490 53.050 -0.051 0.000 0.856 167 N CB -0.419 38.041 38.487 -0.044 0.000 0.993 167 N HN 0.784 nan 8.380 nan 0.000 0.426 168 E N 0.383 120.541 120.200 -0.069 0.000 2.110 168 E HA -0.138 4.213 4.350 0.001 0.000 0.193 168 E C 1.432 178.001 176.600 -0.053 0.000 0.988 168 E CA 0.641 57.002 56.400 -0.065 0.000 0.804 168 E CB 0.134 29.782 29.700 -0.085 0.000 0.745 168 E HN 0.071 nan 8.360 nan 0.000 0.458 169 L N 0.861 122.052 121.223 -0.054 0.000 2.017 169 L HA -0.164 4.177 4.340 0.001 0.000 0.208 169 L C 2.919 179.769 176.870 -0.033 0.000 1.073 169 L CA 2.279 57.093 54.840 -0.042 0.000 0.745 169 L CB -2.142 39.892 42.059 -0.041 0.000 0.894 169 L HN 0.369 nan 8.230 nan 0.000 0.432 170 T N -0.723 113.812 114.554 -0.031 0.000 2.788 170 T HA -0.137 4.214 4.350 0.001 0.000 0.268 170 T C 1.970 176.658 174.700 -0.021 0.000 1.044 170 T CA 1.542 63.628 62.100 -0.023 0.000 1.139 170 T CB -0.071 68.785 68.868 -0.020 0.000 0.867 170 T HN 0.277 nan 8.240 nan 0.000 0.454 171 A N 1.637 124.444 122.820 -0.023 0.000 1.902 171 A HA 0.005 4.326 4.320 0.001 0.000 0.217 171 A C 2.417 179.986 177.584 -0.024 0.000 1.181 171 A CA 2.057 54.083 52.037 -0.020 0.000 0.623 171 A CB -0.798 18.191 19.000 -0.017 0.000 0.818 171 A HN 0.592 nan 8.150 nan 0.000 0.443 172 R N 0.503 120.986 120.500 -0.027 0.000 2.081 172 R HA -0.148 4.193 4.340 0.001 0.000 0.235 172 R C 1.923 178.211 176.300 -0.020 0.000 1.131 172 R CA 2.143 58.227 56.100 -0.026 0.000 0.960 172 R CB -0.763 29.520 30.300 -0.028 0.000 0.856 172 R HN 0.571 nan 8.270 nan 0.000 0.436 173 N N -0.062 118.627 118.700 -0.019 0.000 2.142 173 N HA -0.107 4.633 4.740 0.001 0.000 0.186 173 N C 1.149 176.651 175.510 -0.013 0.000 1.023 173 N CA 1.979 55.020 53.050 -0.015 0.000 0.852 173 N CB -0.215 38.263 38.487 -0.015 0.000 0.998 173 N HN 0.466 nan 8.380 nan 0.000 0.424 174 N N -0.487 118.204 118.700 -0.016 0.000 2.149 174 N HA -0.158 4.582 4.740 0.001 0.000 0.188 174 N C 1.439 176.936 175.510 -0.022 0.000 1.019 174 N CA 0.877 53.918 53.050 -0.016 0.000 0.857 174 N CB -0.128 38.349 38.487 -0.016 0.000 0.997 174 N HN 0.185 nan 8.380 nan 0.000 0.426 175 L N 1.619 122.826 121.223 -0.026 0.000 2.027 175 L HA -0.124 4.216 4.340 0.001 0.000 0.206 175 L C 1.342 178.202 176.870 -0.016 0.000 1.074 175 L CA 1.849 56.669 54.840 -0.032 0.000 0.745 175 L CB -0.593 41.444 42.059 -0.037 0.000 0.898 175 L HN 0.077 nan 8.230 nan 0.000 0.433 176 D N -0.308 120.090 120.400 -0.004 0.000 2.117 176 D HA -0.171 4.470 4.640 0.001 0.000 0.197 176 D C 1.812 178.121 176.300 0.016 0.000 0.987 176 D CA 1.234 55.243 54.000 0.015 0.000 0.829 176 D CB -0.241 40.564 40.800 0.009 0.000 0.961 176 D HN 0.406 nan 8.370 nan 0.000 0.460 177 N N 0.654 119.357 118.700 0.004 0.000 2.270 177 N HA -0.035 4.705 4.740 0.001 0.000 0.181 177 N C 1.726 177.238 175.510 0.003 0.000 1.016 177 N CA 0.933 53.985 53.050 0.005 0.000 0.870 177 N CB -0.267 38.220 38.487 -0.000 0.000 0.979 177 N HN 0.106 nan 8.380 nan 0.000 0.431 178 A N 0.598 123.413 122.820 -0.008 0.000 1.933 178 A HA -0.063 4.257 4.320 0.001 0.000 0.218 178 A C 2.438 180.015 177.584 -0.011 0.000 1.175 178 A CA 1.106 53.132 52.037 -0.018 0.000 0.628 178 A CB -0.746 18.227 19.000 -0.045 0.000 0.814 178 A HN 0.090 nan 8.150 nan 0.000 0.444 179 V N 0.389 120.302 119.914 -0.003 0.000 2.343 179 V HA -0.213 3.908 4.120 0.001 0.000 0.247 179 V C 2.525 178.653 176.094 0.057 0.000 1.051 179 V CA 2.170 64.482 62.300 0.020 0.000 1.036 179 V CB -0.614 31.239 31.823 0.050 0.000 0.654 179 V HN 0.536 nan 8.190 nan 0.000 0.451 180 E N -0.608 119.623 120.200 0.051 0.000 2.152 180 E HA -0.154 4.197 4.350 0.001 0.000 0.192 180 E C 2.331 178.954 176.600 0.039 0.000 0.983 180 E CA 0.637 57.067 56.400 0.049 0.000 0.818 180 E CB -0.247 29.472 29.700 0.032 0.000 0.758 180 E HN 0.581 nan 8.360 nan 0.000 0.467 181 Q N 0.570 120.388 119.800 0.029 0.000 2.061 181 Q HA -0.117 4.224 4.340 0.001 0.000 0.204 181 Q C 2.231 178.257 176.000 0.043 0.000 0.984 181 Q CA 0.629 56.450 55.803 0.030 0.000 0.846 181 Q CB -0.499 28.252 28.738 0.022 0.000 0.902 181 Q HN 0.257 nan 8.270 nan 0.000 0.421 182 L N 1.119 122.370 121.223 0.047 0.000 2.046 182 L HA -0.171 4.170 4.340 0.001 0.000 0.208 182 L C 2.405 179.335 176.870 0.101 0.000 1.077 182 L CA 1.652 56.538 54.840 0.077 0.000 0.747 182 L CB -0.602 41.498 42.059 0.069 0.000 0.896 182 L HN 0.244 nan 8.230 nan 0.000 0.432 183 R N -0.234 120.314 120.500 0.080 0.000 2.096 183 R HA -0.232 4.108 4.340 0.001 0.000 0.235 183 R C 2.232 178.559 176.300 0.046 0.000 1.127 183 R CA 1.785 57.920 56.100 0.059 0.000 0.968 183 R CB -0.231 30.103 30.300 0.056 0.000 0.861 183 R HN 0.534 nan 8.270 nan 0.000 0.440 184 Q N 0.236 120.061 119.800 0.042 0.000 2.170 184 Q HA -0.137 4.203 4.340 0.001 0.000 0.203 184 Q C 1.983 178.006 176.000 0.039 0.000 0.976 184 Q CA 1.581 57.404 55.803 0.034 0.000 0.858 184 Q CB 0.027 28.783 28.738 0.029 0.000 0.907 184 Q HN 0.448 nan 8.270 nan 0.000 0.433 185 I N -1.005 119.596 120.570 0.052 0.000 2.480 185 I HA -0.146 4.024 4.170 0.001 0.000 0.251 185 I C 2.014 178.165 176.117 0.056 0.000 1.124 185 I CA 0.941 62.274 61.300 0.055 0.000 1.444 185 I CB 0.103 38.143 38.000 0.067 0.000 1.098 185 I HN 0.106 nan 8.210 nan 0.000 0.428 186 T N -0.774 113.827 114.554 0.078 0.000 3.044 186 T HA 0.156 4.507 4.350 0.001 0.000 0.255 186 T C 1.471 176.205 174.700 0.056 0.000 1.073 186 T CA 0.990 63.148 62.100 0.097 0.000 1.125 186 T CB 0.329 69.324 68.868 0.211 0.000 0.908 186 T HN 0.596 nan 8.240 nan 0.000 0.480 187 G N 1.649 110.468 108.800 0.032 0.000 2.253 187 G HA2 -0.222 3.739 3.960 0.001 0.000 0.251 187 G HA3 -0.222 3.739 3.960 0.001 0.000 0.251 187 G C 0.112 174.989 174.900 -0.038 0.000 0.998 187 G CA -0.012 45.089 45.100 0.002 0.000 0.621 187 G HN 0.497 nan 8.290 nan 0.000 0.524 188 N N -0.677 117.968 118.700 -0.091 0.000 2.362 188 N HA 0.565 5.306 4.740 0.001 0.000 0.299 188 N C -1.181 174.092 175.510 -0.394 0.000 1.170 188 N CA -0.522 52.356 53.050 -0.286 0.000 0.825 188 N CB 1.592 39.745 38.487 -0.557 0.000 1.299 188 N HN 0.259 nan 8.380 nan 0.000 0.502 189 Y N 1.038 121.037 120.300 -0.501 0.000 2.335 189 Y HA 0.393 4.944 4.550 0.001 0.000 0.339 189 Y C -1.282 174.301 175.900 -0.528 0.000 0.987 189 Y CA -0.634 57.241 58.100 -0.375 0.000 1.140 189 Y CB 0.403 38.750 38.460 -0.188 0.000 1.173 189 Y HN 0.408 nan 8.280 nan 0.000 0.486 190 Y N 8.461 128.329 120.300 -0.719 0.000 2.334 190 Y HA 0.324 4.874 4.550 0.001 0.000 0.336 190 Y C -1.701 173.702 175.900 -0.828 0.000 0.960 190 Y CA -2.324 55.441 58.100 -0.559 0.000 1.164 190 Y CB 1.406 39.682 38.460 -0.306 0.000 1.155 190 Y HN 0.554 nan 8.280 nan 0.000 0.478 191 P HA -0.076 nan 4.420 nan 0.000 0.227 191 P C -0.589 176.645 177.300 -0.111 0.000 1.161 191 P CA 1.001 63.964 63.100 -0.228 0.000 0.788 191 P CB 0.733 32.443 31.700 0.017 0.000 0.822 192 E N -0.667 119.488 120.200 -0.074 0.000 2.383 192 E HA 0.624 4.975 4.350 0.001 0.000 0.275 192 E C -1.136 175.413 176.600 -0.085 0.000 0.918 192 E CA -1.045 55.314 56.400 -0.067 0.000 0.764 192 E CB 1.713 31.394 29.700 -0.033 0.000 1.252 192 E HN -0.104 nan 8.360 nan 0.000 0.449 193 L N 0.584 121.730 121.223 -0.128 0.000 2.309 193 L HA 0.716 5.057 4.340 0.001 0.000 0.261 193 L C -0.311 176.529 176.870 -0.050 0.000 1.021 193 L CA -1.475 53.268 54.840 -0.162 0.000 0.823 193 L CB 2.056 43.851 42.059 -0.441 0.000 1.366 193 L HN 0.793 nan 8.230 nan 0.000 0.423 194 A N 1.245 124.102 122.820 0.061 0.000 2.404 194 A HA 0.638 4.958 4.320 0.001 0.000 0.273 194 A C 0.285 177.946 177.584 0.128 0.000 1.144 194 A CA -0.119 51.974 52.037 0.093 0.000 0.806 194 A CB 0.309 19.373 19.000 0.107 0.000 1.080 194 A HN 0.752 nan 8.150 nan 0.000 0.509 195 A N 2.298 125.173 122.820 0.091 0.000 2.296 195 A HA 0.529 4.849 4.320 0.001 0.000 0.264 195 A C 0.241 177.945 177.584 0.200 0.000 1.097 195 A CA -0.476 51.638 52.037 0.127 0.000 0.811 195 A CB 0.063 19.111 19.000 0.080 0.000 1.072 195 A HN 1.359 nan 8.150 nan 0.000 0.495 196 L N 0.837 122.220 121.223 0.267 0.000 2.455 196 L HA 0.099 4.440 4.340 0.001 0.000 0.272 196 L C 0.620 177.584 176.870 0.156 0.000 1.174 196 L CA 0.399 55.396 54.840 0.262 0.000 0.869 196 L CB -0.109 42.088 42.059 0.230 0.000 1.130 196 L HN 0.749 nan 8.230 nan 0.000 0.474 197 N N 3.340 122.137 118.700 0.163 0.000 2.421 197 N HA 0.117 4.858 4.740 0.001 0.000 0.260 197 N C 1.050 176.643 175.510 0.139 0.000 1.173 197 N CA -0.105 53.021 53.050 0.127 0.000 0.960 197 N CB 0.631 39.189 38.487 0.119 0.000 1.273 197 N HN 0.666 nan 8.380 nan 0.000 0.497 198 V N 1.145 121.103 119.914 0.074 0.000 2.951 198 V HA -0.027 4.094 4.120 0.001 0.000 0.255 198 V C 1.729 177.879 176.094 0.094 0.000 1.088 198 V CA 0.816 63.146 62.300 0.050 0.000 1.109 198 V CB -0.236 31.559 31.823 -0.046 0.000 0.724 198 V HN 0.578 nan 8.190 nan 0.000 0.471 199 E N 1.337 121.584 120.200 0.077 0.000 2.110 199 E HA -0.179 4.172 4.350 0.001 0.000 0.193 199 E C 1.488 178.132 176.600 0.075 0.000 0.988 199 E CA 1.419 57.858 56.400 0.066 0.000 0.804 199 E CB -0.450 29.280 29.700 0.049 0.000 0.745 199 E HN 0.700 nan 8.360 nan 0.000 0.458 200 N N -0.092 118.662 118.700 0.091 0.000 2.280 200 N HA 0.021 4.762 4.740 0.001 0.000 0.192 200 N C -0.290 175.272 175.510 0.087 0.000 1.109 200 N CA -0.270 52.823 53.050 0.072 0.000 0.855 200 N CB 0.251 38.772 38.487 0.058 0.000 0.974 200 N HN -0.012 nan 8.380 nan 0.000 0.482 201 F N 2.486 122.423 119.950 -0.021 0.000 2.572 201 F HA 0.047 4.575 4.527 0.001 0.000 0.370 201 F C 0.166 175.924 175.800 -0.069 0.000 1.103 201 F CA 0.524 58.497 58.000 -0.044 0.000 1.286 201 F CB 0.410 39.370 39.000 -0.067 0.000 1.105 201 F HN -0.239 nan 8.300 nan 0.000 0.583 202 K N 2.455 122.342 120.400 -0.854 0.000 2.512 202 K HA 0.495 4.816 4.320 0.001 0.000 0.263 202 K C -0.953 175.092 176.600 -0.926 0.000 0.966 202 K CA -0.997 54.910 56.287 -0.634 0.000 0.851 202 K CB 2.204 34.513 32.500 -0.318 0.000 1.395 202 K HN 0.607 nan 8.250 nan 0.000 0.440 203 T N -2.154 112.024 114.554 -0.628 0.000 2.912 203 T HA 0.525 4.876 4.350 0.001 0.000 0.288 203 T C -0.919 173.640 174.700 -0.236 0.000 1.030 203 T CA -0.948 60.776 62.100 -0.626 0.000 1.020 203 T CB 1.457 69.876 68.868 -0.747 0.000 1.056 203 T HN 0.293 nan 8.240 nan 0.000 0.480 204 D N 1.669 122.051 120.400 -0.030 0.000 2.649 204 D HA 0.296 4.937 4.640 0.001 0.000 0.249 204 D C -0.332 175.998 176.300 0.050 0.000 1.112 204 D CA -0.732 53.272 54.000 0.007 0.000 0.850 204 D CB 1.939 42.754 40.800 0.024 0.000 1.399 204 D HN 0.374 nan 8.370 nan 0.000 0.503 205 K N 2.397 122.803 120.400 0.011 0.000 2.448 205 K HA 0.216 4.536 4.320 0.001 0.000 0.278 205 K C -1.929 174.691 176.600 0.034 0.000 1.009 205 K CA -1.203 55.090 56.287 0.011 0.000 0.995 205 K CB -0.027 32.471 32.500 -0.004 0.000 0.917 205 K HN 0.288 nan 8.250 nan 0.000 0.481 206 P HA 0.038 nan 4.420 nan 0.000 0.272 206 P C -0.207 177.179 177.300 0.145 0.000 1.240 206 P CA -0.362 62.791 63.100 0.088 0.000 0.791 206 P CB 0.533 32.297 31.700 0.107 0.000 0.978 207 Q N 0.563 120.443 119.800 0.133 0.000 2.474 207 Q HA 0.155 4.496 4.340 0.001 0.000 0.256 207 Q C -1.934 174.173 176.000 0.179 0.000 1.048 207 Q CA -1.221 54.650 55.803 0.113 0.000 0.922 207 Q CB -1.127 27.649 28.738 0.063 0.000 1.288 207 Q HN 0.361 nan 8.270 nan 0.000 0.484 208 P HA -0.072 nan 4.420 nan 0.000 0.266 208 P C 0.883 178.082 177.300 -0.169 0.000 1.195 208 P CA 0.100 63.228 63.100 0.046 0.000 0.768 208 P CB 0.517 32.222 31.700 0.008 0.000 0.838 209 V N 3.515 123.066 119.914 -0.606 0.000 2.469 209 V HA -0.301 3.820 4.120 0.001 0.000 0.251 209 V C 1.728 177.615 176.094 -0.345 0.000 1.064 209 V CA 2.148 63.974 62.300 -0.791 0.000 1.066 209 V CB -1.032 29.962 31.823 -1.381 0.000 0.667 209 V HN 0.552 nan 8.190 nan 0.000 0.461 210 N N -0.111 118.453 118.700 -0.226 0.000 2.166 210 N HA -0.149 4.592 4.740 0.001 0.000 0.186 210 N C 1.882 177.340 175.510 -0.086 0.000 1.019 210 N CA 1.218 54.194 53.050 -0.125 0.000 0.856 210 N CB -0.276 38.161 38.487 -0.083 0.000 0.993 210 N HN 0.562 nan 8.380 nan 0.000 0.426 211 A N 1.156 123.930 122.820 -0.076 0.000 1.929 211 A HA -0.014 4.306 4.320 0.001 0.000 0.216 211 A C 2.134 179.693 177.584 -0.040 0.000 1.176 211 A CA 0.766 52.777 52.037 -0.042 0.000 0.628 211 A CB -0.523 18.463 19.000 -0.023 0.000 0.816 211 A HN 0.135 nan 8.150 nan 0.000 0.444 212 L N -0.632 120.556 121.223 -0.059 0.000 2.046 212 L HA -0.170 4.171 4.340 0.001 0.000 0.208 212 L C 2.520 179.363 176.870 -0.044 0.000 1.077 212 L CA 0.966 55.782 54.840 -0.041 0.000 0.747 212 L CB -0.618 41.419 42.059 -0.038 0.000 0.896 212 L HN 0.342 nan 8.230 nan 0.000 0.432 213 L N -0.299 120.883 121.223 -0.069 0.000 2.042 213 L HA -0.246 4.095 4.340 0.001 0.000 0.210 213 L C 2.719 179.583 176.870 -0.010 0.000 1.076 213 L CA 1.476 56.289 54.840 -0.046 0.000 0.749 213 L CB -0.439 41.583 42.059 -0.063 0.000 0.893 213 L HN 0.204 nan 8.230 nan 0.000 0.432 214 K N -0.256 120.136 120.400 -0.014 0.000 2.026 214 K HA -0.257 4.064 4.320 0.001 0.000 0.208 214 K C 2.091 178.693 176.600 0.004 0.000 1.048 214 K CA 1.779 58.066 56.287 -0.001 0.000 0.929 214 K CB -0.076 32.420 32.500 -0.007 0.000 0.713 214 K HN 0.136 nan 8.250 nan 0.000 0.439 215 E N 0.785 120.984 120.200 -0.002 0.000 2.077 215 E HA -0.164 4.187 4.350 0.001 0.000 0.193 215 E C 1.683 178.287 176.600 0.006 0.000 0.989 215 E CA 1.450 57.851 56.400 0.001 0.000 0.800 215 E CB -0.110 29.589 29.700 -0.002 0.000 0.746 215 E HN 0.304 nan 8.360 nan 0.000 0.452 216 A N 0.421 123.244 122.820 0.005 0.000 1.902 216 A HA -0.188 4.133 4.320 0.001 0.000 0.217 216 A C 2.125 179.725 177.584 0.027 0.000 1.181 216 A CA 1.768 53.812 52.037 0.011 0.000 0.623 216 A CB -0.686 18.316 19.000 0.002 0.000 0.818 216 A HN 0.276 nan 8.150 nan 0.000 0.443 217 E N -0.358 119.865 120.200 0.039 0.000 2.160 217 E HA -0.163 4.187 4.350 0.001 0.000 0.195 217 E C 2.021 178.641 176.600 0.033 0.000 0.991 217 E CA 1.464 57.898 56.400 0.057 0.000 0.810 217 E CB -0.095 29.643 29.700 0.064 0.000 0.742 217 E HN 0.639 nan 8.360 nan 0.000 0.466 218 K N -0.438 119.975 120.400 0.022 0.000 2.137 218 K HA 0.028 4.348 4.320 0.001 0.000 0.202 218 K C 1.353 177.963 176.600 0.017 0.000 1.052 218 K CA 0.714 57.011 56.287 0.016 0.000 0.961 218 K CB 0.322 32.829 32.500 0.011 0.000 0.741 218 K HN -0.051 nan 8.250 nan 0.000 0.452 219 R N -0.086 120.424 120.500 0.017 0.000 2.446 219 R HA 0.075 4.416 4.340 0.001 0.000 0.254 219 R C 0.092 176.402 176.300 0.016 0.000 0.918 219 R CA -0.184 55.925 56.100 0.015 0.000 1.069 219 R CB -0.204 30.102 30.300 0.011 0.000 1.194 219 R HN 0.136 nan 8.270 nan 0.000 0.534 220 N N 1.348 120.059 118.700 0.019 0.000 2.412 220 N HA -0.047 4.694 4.740 0.001 0.000 0.254 220 N C 1.180 176.701 175.510 0.020 0.000 1.232 220 N CA 0.023 53.083 53.050 0.017 0.000 0.880 220 N CB 0.664 39.162 38.487 0.019 0.000 1.076 220 N HN -0.022 nan 8.380 nan 0.000 0.458 221 L N 1.897 123.130 121.223 0.017 0.000 2.109 221 L HA -0.091 4.250 4.340 0.001 0.000 0.207 221 L C 2.278 179.162 176.870 0.023 0.000 1.086 221 L CA 0.580 55.432 54.840 0.020 0.000 0.760 221 L CB -0.428 41.641 42.059 0.016 0.000 0.910 221 L HN 0.602 nan 8.230 nan 0.000 0.437 222 S N 0.727 116.439 115.700 0.020 0.000 2.359 222 S HA -0.157 4.314 4.470 0.001 0.000 0.224 222 S C 1.806 176.420 174.600 0.024 0.000 1.035 222 S CA 1.811 60.023 58.200 0.020 0.000 1.018 222 S CB -0.280 62.930 63.200 0.016 0.000 0.876 222 S HN 0.407 nan 8.310 nan 0.000 0.448 223 L N 0.868 122.108 121.223 0.029 0.000 2.240 223 L HA 0.223 4.563 4.340 0.001 0.000 0.211 223 L C 1.878 178.765 176.870 0.029 0.000 1.106 223 L CA 1.201 56.062 54.840 0.035 0.000 0.793 223 L CB -1.309 40.783 42.059 0.056 0.000 0.927 223 L HN 0.222 nan 8.230 nan 0.000 0.446 224 L N 0.258 121.498 121.223 0.028 0.000 2.017 224 L HA -0.174 4.167 4.340 0.001 0.000 0.208 224 L C 2.661 179.548 176.870 0.028 0.000 1.073 224 L CA 2.213 57.070 54.840 0.028 0.000 0.745 224 L CB -1.094 40.984 42.059 0.031 0.000 0.894 224 L HN 0.620 nan 8.230 nan 0.000 0.432 225 Q N -0.736 119.081 119.800 0.029 0.000 2.124 225 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 225 Q C 2.104 178.116 176.000 0.019 0.000 0.977 225 Q CA 1.807 57.627 55.803 0.027 0.000 0.850 225 Q CB -0.226 28.529 28.738 0.029 0.000 0.901 225 Q HN 0.681 nan 8.270 nan 0.000 0.429 226 A N 0.736 123.565 122.820 0.015 0.000 1.972 226 A HA -0.175 4.145 4.320 0.001 0.000 0.219 226 A C 2.001 179.585 177.584 -0.001 0.000 1.169 226 A CA 1.293 53.332 52.037 0.005 0.000 0.635 226 A CB -0.379 18.623 19.000 0.004 0.000 0.810 226 A HN 0.333 nan 8.150 nan 0.000 0.446 227 R N -0.633 119.872 120.500 0.009 0.000 2.073 227 R HA 0.040 4.381 4.340 0.001 0.000 0.229 227 R C 1.974 178.288 176.300 0.023 0.000 1.120 227 R CA 1.275 57.382 56.100 0.012 0.000 0.967 227 R CB -0.424 29.886 30.300 0.017 0.000 0.862 227 R HN 0.503 nan 8.270 nan 0.000 0.436 228 L N 0.140 121.378 121.223 0.025 0.000 2.141 228 L HA -0.129 4.212 4.340 0.001 0.000 0.209 228 L C 2.245 179.131 176.870 0.027 0.000 1.094 228 L CA 1.029 55.886 54.840 0.028 0.000 0.763 228 L CB -0.315 41.760 42.059 0.027 0.000 0.908 228 L HN 0.150 nan 8.230 nan 0.000 0.437 229 S N -0.742 114.969 115.700 0.018 0.000 2.387 229 S HA -0.219 4.252 4.470 0.001 0.000 0.226 229 S C 1.895 176.508 174.600 0.021 0.000 1.026 229 S CA 1.034 59.243 58.200 0.015 0.000 0.972 229 S CB -0.127 63.075 63.200 0.002 0.000 0.814 229 S HN 0.428 nan 8.310 nan 0.000 0.477 230 Q N 1.022 120.826 119.800 0.007 0.000 2.050 230 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 230 Q C 1.790 177.881 176.000 0.152 0.000 0.980 230 Q CA 1.844 57.645 55.803 -0.004 0.000 0.840 230 Q CB -0.234 28.468 28.738 -0.060 0.000 0.898 230 Q HN 0.519 nan 8.270 nan 0.000 0.424 231 D N -0.116 120.356 120.400 0.120 0.000 2.144 231 D HA -0.191 4.450 4.640 0.001 0.000 0.199 231 D C 1.929 178.291 176.300 0.103 0.000 0.984 231 D CA 0.893 54.965 54.000 0.122 0.000 0.834 231 D CB -0.202 40.641 40.800 0.072 0.000 0.955 231 D HN 0.287 nan 8.370 nan 0.000 0.465 232 L N 0.257 121.526 121.223 0.077 0.000 2.093 232 L HA -0.014 4.326 4.340 0.001 0.000 0.208 232 L C 2.117 179.036 176.870 0.082 0.000 1.085 232 L CA 1.867 56.741 54.840 0.056 0.000 0.755 232 L CB -1.191 40.888 42.059 0.033 0.000 0.904 232 L HN 0.160 nan 8.230 nan 0.000 0.435 233 A N 0.020 122.917 122.820 0.129 0.000 1.969 233 A HA -0.234 4.087 4.320 0.001 0.000 0.218 233 A C 2.437 180.159 177.584 0.231 0.000 1.169 233 A CA 1.476 53.624 52.037 0.184 0.000 0.635 233 A CB -0.552 18.574 19.000 0.210 0.000 0.810 233 A HN 0.487 nan 8.150 nan 0.000 0.445 234 R N -0.548 120.101 120.500 0.248 0.000 2.066 234 R HA -0.167 4.173 4.340 0.001 0.000 0.232 234 R C 2.116 178.408 176.300 -0.015 0.000 1.131 234 R CA 1.719 57.834 56.100 0.025 0.000 0.955 234 R CB -0.215 30.089 30.300 0.007 0.000 0.851 234 R HN 0.450 nan 8.270 nan 0.000 0.432 235 E N 0.708 120.921 120.200 0.022 0.000 2.110 235 E HA -0.201 4.150 4.350 0.001 0.000 0.193 235 E C 1.811 178.413 176.600 0.003 0.000 0.988 235 E CA 1.573 57.977 56.400 0.007 0.000 0.804 235 E CB 0.047 29.756 29.700 0.016 0.000 0.745 235 E HN 0.418 nan 8.360 nan 0.000 0.458 236 Q N -0.580 119.231 119.800 0.018 0.000 2.291 236 Q HA -0.041 4.299 4.340 0.001 0.000 0.205 236 Q C 2.106 178.104 176.000 -0.003 0.000 0.970 236 Q CA 1.004 56.814 55.803 0.012 0.000 0.876 236 Q CB -0.009 28.746 28.738 0.029 0.000 0.935 236 Q HN 0.393 nan 8.270 nan 0.000 0.455 237 I N 0.132 120.694 120.570 -0.015 0.000 2.252 237 I HA -0.257 3.913 4.170 0.001 0.000 0.245 237 I C 2.245 178.335 176.117 -0.045 0.000 1.102 237 I CA 1.026 62.300 61.300 -0.042 0.000 1.385 237 I CB -0.161 37.785 38.000 -0.090 0.000 1.064 237 I HN 0.126 nan 8.210 nan 0.000 0.414 238 R N 0.424 120.899 120.500 -0.042 0.000 2.091 238 R HA -0.251 4.090 4.340 0.001 0.000 0.238 238 R C 2.317 178.601 176.300 -0.027 0.000 1.136 238 R CA 1.764 57.846 56.100 -0.031 0.000 0.959 238 R CB -0.480 29.806 30.300 -0.025 0.000 0.856 238 R HN 0.469 nan 8.270 nan 0.000 0.437 239 Q N 0.635 120.420 119.800 -0.025 0.000 2.096 239 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 239 Q C 2.014 177.985 176.000 -0.048 0.000 0.982 239 Q CA 1.784 57.569 55.803 -0.029 0.000 0.850 239 Q CB -0.109 28.615 28.738 -0.023 0.000 0.901 239 Q HN 0.371 nan 8.270 nan 0.000 0.422 240 A N 0.739 123.527 122.820 -0.053 0.000 1.877 240 A HA -0.253 4.068 4.320 0.001 0.000 0.216 240 A C 1.981 179.490 177.584 -0.125 0.000 1.186 240 A CA 1.705 53.694 52.037 -0.080 0.000 0.620 240 A CB -0.665 18.297 19.000 -0.064 0.000 0.822 240 A HN 0.583 nan 8.150 nan 0.000 0.443 241 Q N -0.494 119.253 119.800 -0.088 0.000 2.181 241 Q HA -0.204 4.137 4.340 0.001 0.000 0.205 241 Q C 1.256 177.225 176.000 -0.052 0.000 0.980 241 Q CA 1.409 57.174 55.803 -0.063 0.000 0.862 241 Q CB -0.257 28.485 28.738 0.006 0.000 0.905 241 Q HN 0.584 nan 8.270 nan 0.000 0.429 242 D N -0.269 120.105 120.400 -0.043 0.000 2.311 242 D HA -0.108 4.533 4.640 0.001 0.000 0.212 242 D C 1.685 177.959 176.300 -0.043 0.000 0.972 242 D CA 1.136 55.123 54.000 -0.022 0.000 0.887 242 D CB -0.434 40.347 40.800 -0.031 0.000 0.915 242 D HN 0.398 nan 8.370 nan 0.000 0.497 243 G N -0.902 107.825 108.800 -0.122 0.000 2.625 243 G HA2 -0.203 3.757 3.960 0.001 0.000 0.214 243 G HA3 -0.203 3.757 3.960 0.001 0.000 0.214 243 G C 1.199 176.047 174.900 -0.087 0.000 1.132 243 G CA 0.319 45.340 45.100 -0.132 0.000 0.782 243 G HN 0.426 nan 8.290 nan 0.000 0.538 244 H N -0.917 118.152 119.070 -0.000 0.000 2.497 244 H HA 0.290 4.846 4.556 0.001 0.000 0.282 244 H C 0.912 176.256 175.328 0.026 0.000 1.003 244 H CA -0.554 55.501 56.048 0.011 0.000 1.307 244 H CB 0.298 30.071 29.762 0.019 0.000 1.437 244 H HN 0.183 nan 8.280 nan 0.000 0.544 245 L N 2.651 123.970 121.223 0.160 0.000 2.453 245 L HA 0.202 4.542 4.340 0.001 0.000 0.261 245 L C -1.858 175.070 176.870 0.097 0.000 1.179 245 L CA -2.090 52.842 54.840 0.154 0.000 0.813 245 L CB 0.297 42.472 42.059 0.192 0.000 1.110 245 L HN 0.053 nan 8.230 nan 0.000 0.466 246 P HA 0.160 nan 4.420 nan 0.000 0.278 246 P C -0.856 176.484 177.300 0.067 0.000 1.258 246 P CA -0.353 62.689 63.100 -0.097 0.000 0.811 246 P CB 1.556 33.120 31.700 -0.227 0.000 1.063 247 T N 0.628 115.109 114.554 -0.121 0.000 2.887 247 T HA 0.523 4.873 4.350 0.001 0.000 0.288 247 T C -1.339 173.387 174.700 0.043 0.000 1.021 247 T CA -0.780 61.351 62.100 0.052 0.000 1.000 247 T CB 0.531 69.384 68.868 -0.024 0.000 1.034 247 T HN 0.284 nan 8.240 nan 0.000 0.467 248 L N 4.303 125.655 121.223 0.216 0.000 2.446 248 L HA 0.534 4.874 4.340 0.001 0.000 0.268 248 L C -1.315 175.659 176.870 0.172 0.000 0.975 248 L CA -0.427 54.550 54.840 0.229 0.000 0.848 248 L CB 1.548 43.786 42.059 0.298 0.000 1.225 248 L HN 0.811 nan 8.230 nan 0.000 0.410 249 D N 4.287 124.760 120.400 0.122 0.000 2.350 249 D HA 0.455 5.095 4.640 0.001 0.000 0.238 249 D C -0.772 175.576 176.300 0.080 0.000 0.989 249 D CA -0.355 53.697 54.000 0.086 0.000 0.921 249 D CB 3.448 44.280 40.800 0.053 0.000 1.297 249 D HN 0.429 nan 8.370 nan 0.000 0.490 250 L N 0.850 122.111 121.223 0.063 0.000 2.329 250 L HA 0.492 4.833 4.340 0.001 0.000 0.279 250 L C -0.526 176.367 176.870 0.038 0.000 1.014 250 L CA -0.157 54.715 54.840 0.052 0.000 0.814 250 L CB 1.591 43.681 42.059 0.051 0.000 1.257 250 L HN 0.442 nan 8.230 nan 0.000 0.424 251 T N 1.871 116.445 114.554 0.034 0.000 2.908 251 T HA 0.950 5.300 4.350 0.001 0.000 0.290 251 T C -0.619 174.094 174.700 0.023 0.000 1.034 251 T CA -0.575 61.541 62.100 0.025 0.000 1.010 251 T CB 2.003 70.886 68.868 0.025 0.000 1.068 251 T HN 0.909 nan 8.240 nan 0.000 0.481 252 A N 1.273 124.104 122.820 0.018 0.000 2.594 252 A HA 0.897 5.218 4.320 0.001 0.000 0.296 252 A C -0.498 177.094 177.584 0.014 0.000 1.061 252 A CA -0.642 51.405 52.037 0.016 0.000 0.689 252 A CB 1.199 20.209 19.000 0.017 0.000 1.280 252 A HN 1.887 nan 8.150 nan 0.000 0.406 253 S N -0.365 115.343 115.700 0.013 0.000 2.611 253 S HA 0.872 5.343 4.470 0.001 0.000 0.268 253 S C -0.810 173.797 174.600 0.011 0.000 1.156 253 S CA -0.196 58.011 58.200 0.012 0.000 0.817 253 S CB 1.595 64.802 63.200 0.011 0.000 1.122 253 S HN 2.005 nan 8.310 nan 0.000 0.466 254 T N -0.341 114.220 114.554 0.011 0.000 3.172 254 T HA 0.726 5.077 4.350 0.001 0.000 0.320 254 T C -0.461 174.246 174.700 0.011 0.000 1.085 254 T CA 0.230 62.337 62.100 0.011 0.000 1.052 254 T CB 0.850 69.725 68.868 0.010 0.000 1.107 254 T HN 1.655 nan 8.240 nan 0.000 0.458 255 G N 3.868 112.675 108.800 0.012 0.000 2.704 255 G HA2 0.700 4.661 3.960 0.001 0.000 0.293 255 G HA3 0.700 4.661 3.960 0.001 0.000 0.293 255 G C -1.279 173.629 174.900 0.014 0.000 1.421 255 G CA -0.759 44.349 45.100 0.013 0.000 0.870 255 G HN 0.915 nan 8.290 nan 0.000 0.492 256 I N -1.223 119.356 120.570 0.015 0.000 2.892 256 I HA 0.942 5.113 4.170 0.001 0.000 0.306 256 I C -0.609 175.519 176.117 0.018 0.000 1.078 256 I CA -1.379 59.931 61.300 0.017 0.000 1.032 256 I CB 1.688 39.699 38.000 0.018 0.000 1.229 256 I HN 0.822 nan 8.210 nan 0.000 0.435 257 S N 2.160 117.871 115.700 0.019 0.000 2.543 257 S HA 0.532 5.003 4.470 0.001 0.000 0.271 257 S C -0.971 173.641 174.600 0.019 0.000 1.148 257 S CA -0.722 57.488 58.200 0.017 0.000 0.914 257 S CB 2.227 65.434 63.200 0.011 0.000 1.096 257 S HN 0.664 nan 8.310 nan 0.000 0.471 258 D N 1.716 122.126 120.400 0.018 0.000 2.562 258 D HA 0.669 5.309 4.640 0.001 0.000 0.271 258 D C -0.445 175.857 176.300 0.002 0.000 1.198 258 D CA 0.565 54.577 54.000 0.020 0.000 1.071 258 D CB -0.270 40.547 40.800 0.028 0.000 1.011 258 D HN 0.945 nan 8.370 nan 0.000 0.327 259 T N -0.955 113.582 114.554 -0.029 0.000 2.063 259 T HA 0.193 4.543 4.350 0.001 0.000 0.635 259 T C -0.989 173.658 174.700 -0.089 0.000 0.938 259 T CA -0.419 61.607 62.100 -0.124 0.000 3.142 259 T CB -1.284 67.490 68.868 -0.157 0.000 1.956 259 T HN 0.408 nan 8.240 nan 0.000 0.432 260 S N 2.527 118.134 115.700 -0.155 0.000 2.532 260 S HA 0.855 5.325 4.470 0.001 0.000 0.299 260 S C -0.718 173.805 174.600 -0.128 0.000 1.105 260 S CA -0.909 57.276 58.200 -0.026 0.000 1.018 260 S CB 1.313 64.529 63.200 0.027 0.000 1.021 260 S HN 0.556 nan 8.310 nan 0.000 0.483 261 Y N 1.524 121.858 120.300 0.057 0.000 2.545 261 Y HA 0.823 5.373 4.550 0.001 0.000 0.324 261 Y C 1.017 176.932 175.900 0.026 0.000 1.220 261 Y CA -0.199 57.922 58.100 0.035 0.000 1.290 261 Y CB 1.610 40.102 38.460 0.053 0.000 1.355 261 Y HN 1.096 nan 8.280 nan 0.000 0.516 262 S N -0.694 115.101 115.700 0.158 0.000 2.611 262 S HA 0.724 5.195 4.470 0.001 0.000 0.270 262 S C -0.674 173.953 174.600 0.046 0.000 1.131 262 S CA -0.100 58.155 58.200 0.092 0.000 0.826 262 S CB 1.158 64.412 63.200 0.090 0.000 1.095 262 S HN 1.908 nan 8.310 nan 0.000 0.461 263 G N 1.251 110.072 108.800 0.034 0.000 2.384 263 G HA2 0.305 4.265 3.960 0.001 0.000 0.668 263 G HA3 0.305 4.265 3.960 0.001 0.000 0.668 263 G C 0.672 175.571 174.900 -0.001 0.000 1.280 263 G CA 0.451 45.560 45.100 0.015 0.000 0.992 263 G HN 2.148 nan 8.290 nan 0.000 0.512 264 S N -0.084 115.613 115.700 -0.005 0.000 2.365 264 S HA -0.171 4.300 4.470 0.001 0.000 0.221 264 S C 1.830 176.417 174.600 -0.022 0.000 1.037 264 S CA 2.439 60.634 58.200 -0.007 0.000 1.060 264 S CB -0.263 62.934 63.200 -0.005 0.000 0.974 264 S HN 1.093 nan 8.310 nan 0.000 0.427 265 K N 1.731 122.099 120.400 -0.053 0.000 2.627 265 K HA 0.266 4.586 4.320 0.001 0.000 0.212 265 K C 1.304 177.821 176.600 -0.138 0.000 1.041 265 K CA 0.513 56.754 56.287 -0.077 0.000 1.205 265 K CB -0.660 31.785 32.500 -0.092 0.000 0.936 265 K HN 0.632 nan 8.250 nan 0.000 0.489 266 T N -1.172 113.323 114.554 -0.099 0.000 2.737 266 T HA -0.014 4.337 4.350 0.001 0.000 0.265 266 T C 1.090 175.824 174.700 0.057 0.000 1.038 266 T CA 1.025 63.069 62.100 -0.093 0.000 1.144 266 T CB -0.031 68.842 68.868 0.009 0.000 0.866 266 T HN 0.081 nan 8.240 nan 0.000 0.434 267 R N 0.142 120.673 120.500 0.052 0.000 2.948 267 R HA 0.612 4.952 4.340 0.001 0.000 0.216 267 R C 0.496 176.827 176.300 0.053 0.000 1.557 267 R CA 0.109 56.250 56.100 0.068 0.000 0.970 267 R CB -0.462 29.867 30.300 0.048 0.000 2.255 267 R HN 0.386 nan 8.270 nan 0.000 0.527 268 G N 0.175 108.998 108.800 0.038 0.000 2.392 268 G HA2 0.165 4.125 3.960 0.001 0.000 0.256 268 G HA3 0.165 4.125 3.960 0.001 0.000 0.256 268 G C 0.437 175.357 174.900 0.034 0.000 0.920 268 G CA 0.735 45.852 45.100 0.028 0.000 1.316 268 G HN 1.383 nan 8.290 nan 0.000 0.416 269 A N -1.330 121.508 122.820 0.029 0.000 3.141 269 A HA 0.158 4.479 4.320 0.001 0.000 0.242 269 A C 2.223 179.834 177.584 0.044 0.000 1.313 269 A CA 1.856 53.909 52.037 0.027 0.000 1.060 269 A CB -1.639 17.376 19.000 0.024 0.000 1.153 269 A HN 2.654 nan 8.150 nan 0.000 0.847 270 A N -0.603 122.255 122.820 0.064 0.000 1.871 270 A HA 0.529 4.850 4.320 0.001 0.000 0.211 270 A C 2.540 180.090 177.584 -0.056 0.000 1.207 270 A CA 1.826 53.921 52.037 0.096 0.000 0.620 270 A CB -0.590 18.554 19.000 0.241 0.000 0.860 270 A HN 2.711 nan 8.150 nan 0.000 0.450 271 G N -1.997 106.771 108.800 -0.053 0.000 2.414 271 G HA2 0.059 4.020 3.960 0.001 0.000 0.256 271 G HA3 0.059 4.020 3.960 0.001 0.000 0.256 271 G C 0.633 175.458 174.900 -0.126 0.000 1.128 271 G CA 0.748 45.799 45.100 -0.083 0.000 0.944 271 G HN 1.307 nan 8.290 nan 0.000 0.500 272 T N -1.550 112.940 114.554 -0.107 0.000 11.216 272 T HA -0.442 3.908 4.350 0.001 0.000 0.398 272 T C 1.931 176.505 174.700 -0.210 0.000 1.598 272 T CA 2.795 64.826 62.100 -0.115 0.000 2.576 272 T CB -1.228 67.588 68.868 -0.087 0.000 2.740 272 T HN 1.334 nan 8.240 nan 0.000 0.942 273 Q N 0.089 119.673 119.800 -0.360 0.000 2.224 273 Q HA -0.211 4.129 4.340 0.001 0.000 0.213 273 Q C 0.617 176.134 176.000 -0.805 0.000 0.998 273 Q CA 2.285 57.711 55.803 -0.627 0.000 0.895 273 Q CB -0.155 28.043 28.738 -0.900 0.000 0.926 273 Q HN 0.832 nan 8.270 nan 0.000 0.417 274 Y N 0.647 120.726 120.300 -0.367 0.000 2.774 274 Y HA 0.297 4.848 4.550 0.001 0.000 0.305 274 Y C -0.191 175.545 175.900 -0.272 0.000 1.067 274 Y CA -0.956 56.752 58.100 -0.654 0.000 1.304 274 Y CB 0.258 38.426 38.460 -0.486 0.000 1.209 274 Y HN 0.064 nan 8.280 nan 0.000 0.543 275 D N 0.116 120.486 120.400 -0.049 0.000 2.233 275 D HA 0.084 4.724 4.640 0.001 0.000 0.281 275 D C -0.467 175.946 176.300 0.188 0.000 1.175 275 D CA 0.218 54.259 54.000 0.068 0.000 1.034 275 D CB 0.402 41.217 40.800 0.025 0.000 1.133 275 D HN 0.027 nan 8.370 nan 0.000 0.519 276 D N -0.937 119.552 120.400 0.148 0.000 2.375 276 D HA 0.434 5.075 4.640 0.001 0.000 0.247 276 D C -0.846 175.527 176.300 0.122 0.000 1.061 276 D CA -0.406 53.694 54.000 0.165 0.000 0.834 276 D CB 1.350 42.217 40.800 0.112 0.000 1.247 276 D HN 0.076 nan 8.370 nan 0.000 0.489 277 S N 1.962 117.742 115.700 0.133 0.000 2.503 277 S HA 0.737 5.208 4.470 0.001 0.000 0.301 277 S C -0.210 174.427 174.600 0.062 0.000 1.087 277 S CA -0.960 57.293 58.200 0.089 0.000 1.042 277 S CB 1.926 65.186 63.200 0.100 0.000 1.043 277 S HN 0.253 nan 8.310 nan 0.000 0.489 281 Q N 0.889 120.697 119.800 0.012 0.000 2.359 281 Q HA 0.446 4.786 4.340 0.001 0.000 0.274 281 Q C -1.153 174.854 176.000 0.011 0.000 1.074 281 Q CA -0.884 54.926 55.803 0.011 0.000 0.810 281 Q CB 2.744 31.488 28.738 0.011 0.000 1.342 281 Q HN 0.535 nan 8.270 nan 0.000 0.427 282 N N 1.862 120.569 118.700 0.010 0.000 2.443 282 N HA 0.399 5.140 4.740 0.001 0.000 0.269 282 N C -1.031 174.485 175.510 0.011 0.000 0.985 282 N CA -0.333 52.723 53.050 0.011 0.000 0.921 282 N CB 1.527 40.020 38.487 0.010 0.000 1.195 282 N HN 0.249 nan 8.380 nan 0.000 0.492 283 K N 0.211 120.618 120.400 0.012 0.000 2.340 283 K HA 0.800 5.121 4.320 0.001 0.000 0.244 283 K C -0.861 175.748 176.600 0.015 0.000 0.973 283 K CA -1.040 55.255 56.287 0.013 0.000 0.828 283 K CB 2.340 34.848 32.500 0.014 0.000 1.226 283 K HN 0.264 nan 8.250 nan 0.000 0.437 284 V N -2.092 117.832 119.914 0.016 0.000 2.817 284 V HA 0.893 5.013 4.120 0.001 0.000 0.303 284 V C -0.595 175.512 176.094 0.021 0.000 1.151 284 V CA -0.701 61.611 62.300 0.019 0.000 0.929 284 V CB 1.441 33.275 31.823 0.019 0.000 1.030 284 V HN 0.898 nan 8.190 nan 0.000 0.427 285 G N 2.875 111.690 108.800 0.026 0.000 2.692 285 G HA2 0.741 4.702 3.960 0.001 0.000 0.291 285 G HA3 0.741 4.702 3.960 0.001 0.000 0.291 285 G C -1.931 172.994 174.900 0.040 0.000 1.423 285 G CA -0.961 44.157 45.100 0.030 0.000 0.843 285 G HN 0.870 nan 8.290 nan 0.000 0.486 286 L N 0.642 121.894 121.223 0.048 0.000 2.365 286 L HA 0.730 5.070 4.340 0.001 0.000 0.273 286 L C -0.074 176.846 176.870 0.084 0.000 1.000 286 L CA -0.922 53.959 54.840 0.067 0.000 0.819 286 L CB 2.322 44.422 42.059 0.068 0.000 1.284 286 L HN 0.524 nan 8.230 nan 0.000 0.418 287 S N 2.539 118.302 115.700 0.104 0.000 2.605 287 S HA 0.589 5.059 4.470 0.001 0.000 0.308 287 S C -1.226 173.480 174.600 0.178 0.000 1.113 287 S CA -0.439 57.832 58.200 0.118 0.000 1.049 287 S CB 0.794 64.039 63.200 0.075 0.000 1.001 287 S HN 0.376 nan 8.310 nan 0.000 0.480 288 F N 4.241 124.212 119.950 0.036 0.000 2.469 288 F HA 0.750 5.277 4.527 0.001 0.000 0.332 288 F C -0.209 175.617 175.800 0.043 0.000 1.103 288 F CA -0.218 57.808 58.000 0.043 0.000 0.979 288 F CB 1.806 40.824 39.000 0.029 0.000 1.137 288 F HN 0.503 nan 8.300 nan 0.000 0.463 289 S N 7.334 122.698 115.700 -0.560 0.000 2.547 289 S HA 0.702 5.172 4.470 0.001 0.000 0.281 289 S C -2.197 172.054 174.600 -0.580 0.000 1.118 289 S CA -0.721 57.251 58.200 -0.380 0.000 0.947 289 S CB 1.228 64.333 63.200 -0.157 0.000 1.053 289 S HN 0.795 nan 8.310 nan 0.000 0.482 290 L N 6.629 127.671 121.223 -0.300 0.000 2.476 290 L HA 0.518 4.859 4.340 0.001 0.000 0.269 290 L C -2.067 174.786 176.870 -0.029 0.000 0.965 290 L CA -1.606 53.126 54.840 -0.180 0.000 0.845 290 L CB 1.841 43.866 42.059 -0.057 0.000 1.259 290 L HN 0.547 nan 8.230 nan 0.000 0.403 291 P HA 0.032 nan 4.420 nan 0.000 0.213 291 P C 1.150 178.492 177.300 0.070 0.000 1.170 291 P CA 1.418 64.536 63.100 0.030 0.000 0.898 291 P CB 0.533 32.256 31.700 0.037 0.000 0.787 292 I N -6.365 114.261 120.570 0.094 0.000 4.781 292 I HA -0.375 3.796 4.170 0.001 0.000 0.042 292 I C 0.323 176.563 176.117 0.205 0.000 0.631 292 I CA 1.759 63.134 61.300 0.126 0.000 0.598 292 I CB -1.069 37.000 38.000 0.115 0.000 0.578 292 I HN 0.035 nan 8.210 nan 0.000 0.154 293 Y N 1.830 122.155 120.300 0.042 0.000 2.348 293 Y HA 0.504 5.054 4.550 0.001 0.000 0.321 293 Y C -0.851 175.070 175.900 0.036 0.000 1.163 293 Y CA -0.618 57.507 58.100 0.042 0.000 1.070 293 Y CB 1.308 39.786 38.460 0.030 0.000 1.250 293 Y HN 0.126 nan 8.280 nan 0.000 0.425 294 Q N 4.804 124.208 119.800 -0.659 0.000 2.470 294 Q HA 0.358 4.698 4.340 0.001 0.000 0.389 294 Q C 0.860 176.512 176.000 -0.580 0.000 0.888 294 Q CA 0.080 55.603 55.803 -0.465 0.000 1.106 294 Q CB 1.318 29.931 28.738 -0.208 0.000 1.368 294 Q HN 1.125 nan 8.270 nan 0.000 0.403 295 G N 0.190 108.381 108.800 -1.016 0.000 2.166 295 G HA2 -0.194 3.767 3.960 0.001 0.000 0.260 295 G HA3 -0.194 3.767 3.960 0.001 0.000 0.260 295 G C 0.552 175.300 174.900 -0.254 0.000 0.986 295 G CA 0.300 45.153 45.100 -0.411 0.000 0.683 295 G HN 1.026 nan 8.290 nan 0.000 0.527 299 N N -0.124 118.535 118.700 -0.067 0.000 1.712 299 N HA -0.220 4.521 4.740 0.001 0.000 0.212 299 N C 1.569 177.086 175.510 0.011 0.000 0.853 299 N CA 2.209 55.282 53.050 0.039 0.000 4.255 299 N CB -1.289 37.257 38.487 0.099 0.000 0.684 299 N HN 0.886 nan 8.380 nan 0.000 0.241 300 S N 0.396 116.099 115.700 0.004 0.000 2.357 300 S HA 0.012 4.483 4.470 0.001 0.000 0.221 300 S C 1.619 176.226 174.600 0.011 0.000 1.031 300 S CA 1.840 60.051 58.200 0.018 0.000 0.982 300 S CB -0.107 63.102 63.200 0.015 0.000 0.853 300 S HN 0.474 nan 8.310 nan 0.000 0.458 301 Q N 0.193 119.982 119.800 -0.019 0.000 2.135 301 Q HA -0.087 4.253 4.340 0.001 0.000 0.204 301 Q C 2.247 178.231 176.000 -0.026 0.000 0.981 301 Q CA 1.708 57.496 55.803 -0.025 0.000 0.856 301 Q CB -0.309 28.396 28.738 -0.055 0.000 0.902 301 Q HN 0.451 nan 8.270 nan 0.000 0.425 302 V N 1.167 121.056 119.914 -0.043 0.000 2.270 302 V HA -0.276 3.845 4.120 0.001 0.000 0.245 302 V C 2.036 178.106 176.094 -0.041 0.000 1.043 302 V CA 1.909 64.183 62.300 -0.043 0.000 1.014 302 V CB -0.411 31.391 31.823 -0.035 0.000 0.645 302 V HN 0.296 nan 8.190 nan 0.000 0.447 303 K N -0.395 119.985 120.400 -0.034 0.000 2.057 303 K HA -0.227 4.093 4.320 0.001 0.000 0.207 303 K C 2.302 178.881 176.600 -0.035 0.000 1.049 303 K CA 1.632 57.868 56.287 -0.085 0.000 0.931 303 K CB -0.249 32.232 32.500 -0.031 0.000 0.714 303 K HN 0.498 nan 8.250 nan 0.000 0.440 304 Q N 0.098 119.958 119.800 0.101 0.000 2.096 304 Q HA -0.163 4.177 4.340 0.001 0.000 0.204 304 Q C 2.152 178.230 176.000 0.131 0.000 0.982 304 Q CA 1.655 57.569 55.803 0.184 0.000 0.850 304 Q CB -0.182 28.621 28.738 0.109 0.000 0.901 304 Q HN 0.375 nan 8.270 nan 0.000 0.422 305 A N 0.583 123.436 122.820 0.055 0.000 2.015 305 A HA -0.219 4.101 4.320 0.001 0.000 0.219 305 A C 1.872 179.494 177.584 0.064 0.000 1.163 305 A CA 1.251 53.319 52.037 0.053 0.000 0.646 305 A CB -0.286 18.725 19.000 0.018 0.000 0.806 305 A HN 0.359 nan 8.150 nan 0.000 0.448 306 Q N -1.685 118.108 119.800 -0.012 0.000 2.123 306 Q HA -0.134 4.207 4.340 0.001 0.000 0.199 306 Q C 1.790 177.810 176.000 0.032 0.000 0.966 306 Q CA 1.584 57.363 55.803 -0.041 0.000 0.845 306 Q CB -0.300 28.328 28.738 -0.183 0.000 0.907 306 Q HN 0.864 nan 8.270 nan 0.000 0.439 307 Y N 0.959 121.311 120.300 0.086 0.000 2.200 307 Y HA -0.210 4.340 4.550 0.001 0.000 0.290 307 Y C 2.400 178.341 175.900 0.068 0.000 1.137 307 Y CA 0.828 58.970 58.100 0.069 0.000 1.163 307 Y CB -0.073 38.412 38.460 0.041 0.000 0.988 307 Y HN 0.259 nan 8.280 nan 0.000 0.518 308 N N 0.230 119.066 118.700 0.227 0.000 2.149 308 N HA -0.243 4.498 4.740 0.001 0.000 0.188 308 N C 1.844 177.434 175.510 0.133 0.000 1.019 308 N CA 1.301 54.438 53.050 0.145 0.000 0.857 308 N CB -0.312 38.245 38.487 0.117 0.000 0.997 308 N HN 0.363 nan 8.380 nan 0.000 0.426 309 F N 1.712 121.684 119.950 0.037 0.000 2.206 309 F HA -0.085 4.442 4.527 0.001 0.000 0.298 309 F C 2.320 178.137 175.800 0.029 0.000 1.090 309 F CA 1.145 59.157 58.000 0.020 0.000 1.323 309 F CB -0.566 38.435 39.000 0.001 0.000 1.028 309 F HN -0.089 nan 8.300 nan 0.000 0.492 310 V N 0.404 120.348 119.914 0.050 0.000 2.427 310 V HA -0.025 4.096 4.120 0.001 0.000 0.248 310 V C 2.292 178.337 176.094 -0.081 0.000 1.051 310 V CA 2.206 64.484 62.300 -0.035 0.000 1.048 310 V CB -1.414 30.473 31.823 0.107 0.000 0.666 310 V HN 0.379 nan 8.190 nan 0.000 0.456 311 G N -0.189 108.598 108.800 -0.022 0.000 2.418 311 G HA2 -0.185 3.776 3.960 0.001 0.000 0.217 311 G HA3 -0.185 3.776 3.960 0.001 0.000 0.217 311 G C 1.779 176.630 174.900 -0.081 0.000 1.158 311 G CA 1.112 46.196 45.100 -0.027 0.000 0.771 311 G HN 0.921 nan 8.290 nan 0.000 0.545 312 A N 0.511 123.253 122.820 -0.131 0.000 1.969 312 A HA 0.079 4.399 4.320 0.001 0.000 0.218 312 A C 2.667 180.114 177.584 -0.230 0.000 1.169 312 A CA 2.129 54.071 52.037 -0.159 0.000 0.635 312 A CB -0.411 18.499 19.000 -0.150 0.000 0.810 312 A HN 0.304 nan 8.150 nan 0.000 0.445 313 S N -0.259 115.228 115.700 -0.355 0.000 2.387 313 S HA -0.087 4.383 4.470 0.001 0.000 0.226 313 S C 1.826 176.337 174.600 -0.150 0.000 1.026 313 S CA 1.089 59.099 58.200 -0.317 0.000 0.972 313 S CB -0.191 62.762 63.200 -0.412 0.000 0.814 313 S HN 0.594 nan 8.310 nan 0.000 0.477 314 E N 1.567 121.702 120.200 -0.109 0.000 2.107 314 E HA -0.098 4.253 4.350 0.001 0.000 0.191 314 E C 2.079 178.655 176.600 -0.041 0.000 0.982 314 E CA 0.763 57.131 56.400 -0.053 0.000 0.809 314 E CB -0.296 29.384 29.700 -0.033 0.000 0.756 314 E HN 0.611 nan 8.360 nan 0.000 0.459 315 Q N 0.489 120.258 119.800 -0.052 0.000 2.167 315 Q HA -0.039 4.302 4.340 0.001 0.000 0.202 315 Q C 2.372 178.358 176.000 -0.023 0.000 0.970 315 Q CA 0.611 56.395 55.803 -0.032 0.000 0.855 315 Q CB -0.037 28.681 28.738 -0.033 0.000 0.911 315 Q HN 0.233 nan 8.270 nan 0.000 0.438 316 L N 0.696 121.894 121.223 -0.042 0.000 2.056 316 L HA -0.222 4.119 4.340 0.001 0.000 0.207 316 L C 2.373 179.252 176.870 0.014 0.000 1.078 316 L CA 1.484 56.311 54.840 -0.022 0.000 0.749 316 L CB -0.120 41.908 42.059 -0.052 0.000 0.901 316 L HN 0.242 nan 8.230 nan 0.000 0.433 317 E N -0.141 120.063 120.200 0.006 0.000 2.110 317 E HA -0.187 4.163 4.350 0.001 0.000 0.193 317 E C 2.087 178.729 176.600 0.071 0.000 0.988 317 E CA 1.786 58.215 56.400 0.049 0.000 0.804 317 E CB -0.112 29.601 29.700 0.021 0.000 0.745 317 E HN 0.336 nan 8.360 nan 0.000 0.458 318 S N -0.048 115.671 115.700 0.032 0.000 2.370 318 S HA -0.171 4.300 4.470 0.001 0.000 0.226 318 S C 1.987 176.601 174.600 0.025 0.000 1.033 318 S CA 1.191 59.403 58.200 0.021 0.000 1.011 318 S CB -0.536 62.668 63.200 0.006 0.000 0.852 318 S HN 0.533 nan 8.310 nan 0.000 0.457 319 A N 0.871 123.712 122.820 0.035 0.000 1.930 319 A HA -0.140 4.180 4.320 0.001 0.000 0.217 319 A C 1.848 179.467 177.584 0.058 0.000 1.175 319 A CA 2.022 54.080 52.037 0.035 0.000 0.627 319 A CB -0.951 18.068 19.000 0.032 0.000 0.815 319 A HN 0.640 nan 8.150 nan 0.000 0.443 320 H N -0.076 118.986 119.070 -0.013 0.000 2.319 320 H HA -0.066 4.490 4.556 0.001 0.000 0.299 320 H C 2.197 177.519 175.328 -0.010 0.000 1.092 320 H CA 2.167 58.208 56.048 -0.011 0.000 1.302 320 H CB -0.163 29.591 29.762 -0.013 0.000 1.373 320 H HN 0.411 nan 8.280 nan 0.000 0.497 321 R N -0.537 119.898 120.500 -0.109 0.000 2.096 321 R HA -0.120 4.221 4.340 0.001 0.000 0.235 321 R C 2.694 178.917 176.300 -0.129 0.000 1.127 321 R CA 1.317 57.325 56.100 -0.153 0.000 0.968 321 R CB -0.360 29.915 30.300 -0.043 0.000 0.861 321 R HN 0.312 nan 8.270 nan 0.000 0.440 322 S N 0.418 116.073 115.700 -0.076 0.000 2.406 322 S HA -0.085 4.386 4.470 0.001 0.000 0.228 322 S C 2.055 176.617 174.600 -0.062 0.000 1.020 322 S CA 1.177 59.346 58.200 -0.051 0.000 0.965 322 S CB -0.105 63.081 63.200 -0.022 0.000 0.798 322 S HN 0.311 nan 8.310 nan 0.000 0.488 323 V N 0.413 120.278 119.914 -0.082 0.000 2.488 323 V HA 0.037 4.158 4.120 0.001 0.000 0.246 323 V C 2.092 178.121 176.094 -0.108 0.000 1.046 323 V CA 1.729 63.987 62.300 -0.070 0.000 1.053 323 V CB -0.804 30.999 31.823 -0.034 0.000 0.679 323 V HN 0.349 nan 8.190 nan 0.000 0.458 324 V N 0.826 120.618 119.914 -0.203 0.000 2.332 324 V HA -0.256 3.865 4.120 0.001 0.000 0.248 324 V C 2.866 178.896 176.094 -0.106 0.000 1.055 324 V CA 2.622 64.806 62.300 -0.194 0.000 1.038 324 V CB -0.865 30.777 31.823 -0.302 0.000 0.651 324 V HN 0.703 nan 8.190 nan 0.000 0.450 325 Q N 0.006 119.753 119.800 -0.088 0.000 2.046 325 Q HA -0.189 4.151 4.340 0.001 0.000 0.200 325 Q C 2.236 178.223 176.000 -0.022 0.000 0.975 325 Q CA 2.556 58.332 55.803 -0.046 0.000 0.836 325 Q CB -0.473 28.243 28.738 -0.037 0.000 0.896 325 Q HN 0.647 nan 8.270 nan 0.000 0.428 326 T N 1.268 115.807 114.554 -0.025 0.000 2.708 326 T HA -0.118 4.233 4.350 0.001 0.000 0.266 326 T C 1.887 176.589 174.700 0.003 0.000 1.037 326 T CA 1.816 63.912 62.100 -0.008 0.000 1.146 326 T CB -0.529 68.334 68.868 -0.010 0.000 0.865 326 T HN 0.349 nan 8.240 nan 0.000 0.435 327 V N 1.341 121.248 119.914 -0.011 0.000 2.453 327 V HA -0.060 4.060 4.120 0.001 0.000 0.247 327 V C 2.260 178.374 176.094 0.033 0.000 1.048 327 V CA 1.444 63.747 62.300 0.004 0.000 1.049 327 V CB -0.542 31.268 31.823 -0.021 0.000 0.672 327 V HN 0.329 nan 8.190 nan 0.000 0.457 328 R N 1.235 121.740 120.500 0.008 0.000 2.115 328 R HA -0.026 4.315 4.340 0.001 0.000 0.226 328 R C 2.635 179.006 176.300 0.119 0.000 1.100 328 R CA 1.479 57.603 56.100 0.041 0.000 0.980 328 R CB -0.403 29.891 30.300 -0.010 0.000 0.875 328 R HN 0.795 nan 8.270 nan 0.000 0.445 329 S N -0.427 115.316 115.700 0.071 0.000 2.425 329 S HA 0.020 4.491 4.470 0.001 0.000 0.225 329 S C 1.935 176.579 174.600 0.074 0.000 1.024 329 S CA 0.765 59.005 58.200 0.067 0.000 0.951 329 S CB 0.180 63.401 63.200 0.036 0.000 0.796 329 S HN 0.047 nan 8.310 nan 0.000 0.498 330 S N 1.389 117.134 115.700 0.075 0.000 2.368 330 S HA 0.073 4.544 4.470 0.001 0.000 0.224 330 S C 1.324 175.984 174.600 0.099 0.000 1.029 330 S CA 1.147 59.385 58.200 0.063 0.000 0.988 330 S CB -0.608 62.618 63.200 0.043 0.000 0.838 330 S HN 0.614 nan 8.310 nan 0.000 0.462 331 F N 2.926 122.867 119.950 -0.013 0.000 2.102 331 F HA -0.121 4.407 4.527 0.001 0.000 0.298 331 F C 1.769 177.572 175.800 0.004 0.000 1.105 331 F CA 1.527 59.523 58.000 -0.007 0.000 1.239 331 F CB -0.762 38.234 39.000 -0.007 0.000 0.991 331 F HN 0.189 nan 8.300 nan 0.000 0.474 332 N N 0.080 118.852 118.700 0.119 0.000 2.069 332 N HA -0.230 4.511 4.740 0.001 0.000 0.191 332 N C 1.388 176.866 175.510 -0.054 0.000 1.031 332 N CA 1.285 54.333 53.050 -0.004 0.000 0.852 332 N CB -0.287 38.251 38.487 0.085 0.000 1.018 332 N HN 0.259 nan 8.380 nan 0.000 0.423 333 N N 1.127 119.822 118.700 -0.009 0.000 2.166 333 N HA -0.084 4.656 4.740 0.001 0.000 0.186 333 N C 1.692 177.193 175.510 -0.014 0.000 1.019 333 N CA 0.795 53.843 53.050 -0.003 0.000 0.856 333 N CB -0.253 38.242 38.487 0.013 0.000 0.993 333 N HN 0.311 nan 8.380 nan 0.000 0.426 334 I N 1.010 121.549 120.570 -0.051 0.000 2.202 334 I HA -0.225 3.945 4.170 0.001 0.000 0.242 334 I C 1.688 177.790 176.117 -0.025 0.000 1.091 334 I CA 0.861 62.143 61.300 -0.031 0.000 1.368 334 I CB -0.213 37.735 38.000 -0.087 0.000 1.058 334 I HN 0.119 nan 8.210 nan 0.000 0.410 335 N N 1.125 119.720 118.700 -0.174 0.000 2.166 335 N HA -0.123 4.618 4.740 0.001 0.000 0.186 335 N C 1.901 177.362 175.510 -0.083 0.000 1.019 335 N CA 1.581 54.524 53.050 -0.179 0.000 0.856 335 N CB -0.304 37.991 38.487 -0.320 0.000 0.993 335 N HN 0.344 nan 8.380 nan 0.000 0.426 336 A N 0.560 123.345 122.820 -0.059 0.000 1.902 336 A HA -0.074 4.247 4.320 0.001 0.000 0.217 336 A C 2.560 180.152 177.584 0.014 0.000 1.181 336 A CA 1.549 53.574 52.037 -0.020 0.000 0.623 336 A CB -0.712 18.285 19.000 -0.005 0.000 0.818 336 A HN 0.224 nan 8.150 nan 0.000 0.443 337 S N -0.269 115.460 115.700 0.048 0.000 2.359 337 S HA -0.141 4.329 4.470 0.001 0.000 0.224 337 S C 1.812 176.453 174.600 0.069 0.000 1.035 337 S CA 1.593 59.853 58.200 0.099 0.000 1.018 337 S CB -0.491 62.830 63.200 0.201 0.000 0.876 337 S HN 0.543 nan 8.310 nan 0.000 0.448 338 I N 1.001 121.597 120.570 0.043 0.000 2.226 338 I HA -0.159 4.012 4.170 0.001 0.000 0.245 338 I C 2.376 178.469 176.117 -0.039 0.000 1.100 338 I CA 0.915 62.191 61.300 -0.041 0.000 1.374 338 I CB -0.364 37.601 38.000 -0.058 0.000 1.057 338 I HN 0.199 nan 8.210 nan 0.000 0.413 339 S N 0.083 115.762 115.700 -0.035 0.000 2.399 339 S HA -0.145 4.326 4.470 0.001 0.000 0.231 339 S C 2.215 176.785 174.600 -0.051 0.000 1.022 339 S CA 1.473 59.645 58.200 -0.048 0.000 0.983 339 S CB -0.132 63.038 63.200 -0.051 0.000 0.803 339 S HN 0.372 nan 8.310 nan 0.000 0.480 340 S N 1.470 117.164 115.700 -0.011 0.000 2.355 340 S HA 0.054 4.525 4.470 0.001 0.000 0.222 340 S C 1.796 176.448 174.600 0.088 0.000 1.031 340 S CA 0.795 59.008 58.200 0.021 0.000 0.993 340 S CB -0.355 62.944 63.200 0.164 0.000 0.859 340 S HN 0.392 nan 8.310 nan 0.000 0.453 341 I N 2.321 122.937 120.570 0.077 0.000 2.118 341 I HA -0.315 3.856 4.170 0.001 0.000 0.241 341 I C 2.074 178.208 176.117 0.028 0.000 1.070 341 I CA 1.480 62.816 61.300 0.059 0.000 1.327 341 I CB -0.612 37.397 38.000 0.015 0.000 1.034 341 I HN 0.364 nan 8.210 nan 0.000 0.405 342 N N 0.485 119.175 118.700 -0.016 0.000 2.104 342 N HA -0.190 4.551 4.740 0.001 0.000 0.190 342 N C 1.948 177.423 175.510 -0.059 0.000 1.024 342 N CA 1.194 54.223 53.050 -0.036 0.000 0.853 342 N CB -0.252 38.206 38.487 -0.050 0.000 1.008 342 N HN 0.374 nan 8.380 nan 0.000 0.424 343 A N 0.551 123.302 122.820 -0.115 0.000 1.902 343 A HA -0.152 4.169 4.320 0.001 0.000 0.217 343 A C 1.715 179.165 177.584 -0.225 0.000 1.181 343 A CA 1.205 53.113 52.037 -0.215 0.000 0.623 343 A CB -0.890 17.902 19.000 -0.346 0.000 0.818 343 A HN 0.393 nan 8.150 nan 0.000 0.443 344 Y N -0.293 119.976 120.300 -0.051 0.000 2.337 344 Y HA -0.077 4.474 4.550 0.001 0.000 0.293 344 Y C 2.463 178.320 175.900 -0.071 0.000 1.123 344 Y CA 1.260 59.322 58.100 -0.063 0.000 1.201 344 Y CB 0.006 38.424 38.460 -0.069 0.000 1.011 344 Y HN 0.219 nan 8.280 nan 0.000 0.545 345 K N 0.030 120.471 120.400 0.069 0.000 2.032 345 K HA -0.287 4.033 4.320 0.001 0.000 0.209 345 K C 2.122 178.720 176.600 -0.003 0.000 1.048 345 K CA 1.860 58.158 56.287 0.017 0.000 0.927 345 K CB -0.187 32.314 32.500 0.002 0.000 0.712 345 K HN 0.169 nan 8.250 nan 0.000 0.441 346 Q N 0.963 120.752 119.800 -0.019 0.000 2.084 346 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 346 Q C 1.785 177.769 176.000 -0.027 0.000 0.978 346 Q CA 1.995 57.780 55.803 -0.030 0.000 0.844 346 Q CB -0.330 28.380 28.738 -0.046 0.000 0.898 346 Q HN 0.281 nan 8.270 nan 0.000 0.426 347 A N -0.398 122.410 122.820 -0.021 0.000 1.972 347 A HA -0.106 4.214 4.320 0.001 0.000 0.219 347 A C 2.255 179.839 177.584 -0.000 0.000 1.169 347 A CA 1.565 53.601 52.037 -0.002 0.000 0.635 347 A CB -0.683 18.339 19.000 0.037 0.000 0.810 347 A HN 0.287 nan 8.150 nan 0.000 0.446 348 V N -0.689 119.221 119.914 -0.006 0.000 2.379 348 V HA -0.188 3.932 4.120 0.001 0.000 0.245 348 V C 2.555 178.615 176.094 -0.056 0.000 1.044 348 V CA 1.804 64.072 62.300 -0.055 0.000 1.036 348 V CB -0.542 31.234 31.823 -0.078 0.000 0.664 348 V HN 0.378 nan 8.190 nan 0.000 0.453 349 V N 1.015 120.907 119.914 -0.038 0.000 2.261 349 V HA -0.228 3.893 4.120 0.001 0.000 0.246 349 V C 2.719 178.795 176.094 -0.030 0.000 1.047 349 V CA 2.410 64.691 62.300 -0.033 0.000 1.015 349 V CB -0.796 31.012 31.823 -0.025 0.000 0.642 349 V HN 0.763 nan 8.190 nan 0.000 0.446 350 S N 0.895 116.579 115.700 -0.027 0.000 2.402 350 S HA -0.097 4.374 4.470 0.001 0.000 0.229 350 S C 2.080 176.665 174.600 -0.025 0.000 1.021 350 S CA 1.212 59.398 58.200 -0.024 0.000 0.974 350 S CB -0.491 62.696 63.200 -0.022 0.000 0.800 350 S HN 0.557 nan 8.310 nan 0.000 0.484 351 A N 1.671 124.472 122.820 -0.032 0.000 1.902 351 A HA -0.134 4.186 4.320 0.001 0.000 0.217 351 A C 2.333 179.889 177.584 -0.047 0.000 1.181 351 A CA 1.887 53.901 52.037 -0.040 0.000 0.623 351 A CB -1.002 17.964 19.000 -0.057 0.000 0.818 351 A HN 0.570 nan 8.150 nan 0.000 0.443 352 Q N 0.590 120.356 119.800 -0.057 0.000 2.079 352 Q HA -0.130 4.210 4.340 0.001 0.000 0.200 352 Q C 2.226 178.210 176.000 -0.026 0.000 0.974 352 Q CA 2.574 58.346 55.803 -0.053 0.000 0.840 352 Q CB -0.550 28.155 28.738 -0.056 0.000 0.898 352 Q HN 0.647 nan 8.270 nan 0.000 0.430 353 S N -1.214 114.473 115.700 -0.021 0.000 2.428 353 S HA -0.089 4.382 4.470 0.001 0.000 0.230 353 S C 2.067 176.664 174.600 -0.005 0.000 1.014 353 S CA 1.344 59.538 58.200 -0.010 0.000 0.957 353 S CB -0.539 62.654 63.200 -0.011 0.000 0.784 353 S HN 0.414 nan 8.310 nan 0.000 0.499 354 S N 0.624 116.319 115.700 -0.009 0.000 2.387 354 S HA 0.015 4.486 4.470 0.001 0.000 0.226 354 S C 1.771 176.372 174.600 0.001 0.000 1.026 354 S CA 1.008 59.206 58.200 -0.003 0.000 0.972 354 S CB -0.658 62.538 63.200 -0.007 0.000 0.814 354 S HN 0.551 nan 8.310 nan 0.000 0.477 355 L N 2.317 123.538 121.223 -0.002 0.000 2.017 355 L HA -0.069 4.272 4.340 0.001 0.000 0.208 355 L C 1.624 178.505 176.870 0.018 0.000 1.073 355 L CA 2.274 57.118 54.840 0.007 0.000 0.745 355 L CB -1.037 41.025 42.059 0.004 0.000 0.894 355 L HN 0.175 nan 8.230 nan 0.000 0.432 356 D N 0.709 121.119 120.400 0.015 0.000 2.178 356 D HA -0.058 4.582 4.640 0.001 0.000 0.201 356 D C 1.331 177.648 176.300 0.028 0.000 0.980 356 D CA 1.104 55.118 54.000 0.024 0.000 0.842 356 D CB -0.460 40.350 40.800 0.017 0.000 0.948 356 D HN 0.536 nan 8.370 nan 0.000 0.472 360 A N 1.630 124.496 122.820 0.078 0.000 1.898 360 A HA 0.029 4.350 4.320 0.001 0.000 0.216 360 A C 2.214 179.837 177.584 0.064 0.000 1.181 360 A CA 2.104 54.174 52.037 0.056 0.000 0.620 360 A CB -1.014 18.007 19.000 0.035 0.000 0.819 360 A HN 0.265 nan 8.150 nan 0.000 0.442 361 G N -1.729 107.119 108.800 0.079 0.000 2.418 361 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 361 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 361 G C 1.580 176.561 174.900 0.135 0.000 1.158 361 G CA 1.156 46.305 45.100 0.083 0.000 0.771 361 G HN 0.646 nan 8.290 nan 0.000 0.545 362 Y N 2.095 122.400 120.300 0.008 0.000 2.181 362 Y HA -0.222 4.329 4.550 0.001 0.000 0.288 362 Y C 3.122 179.027 175.900 0.008 0.000 1.146 362 Y CA 1.635 59.740 58.100 0.009 0.000 1.164 362 Y CB 0.055 38.521 38.460 0.010 0.000 0.982 362 Y HN 0.356 nan 8.280 nan 0.000 0.515 363 S N -0.266 115.405 115.700 -0.048 0.000 2.474 363 S HA -0.128 4.342 4.470 0.001 0.000 0.235 363 S C 1.297 175.842 174.600 -0.092 0.000 0.997 363 S CA 1.017 59.125 58.200 -0.153 0.000 0.949 363 S CB -0.674 62.477 63.200 -0.081 0.000 0.766 363 S HN 0.428 nan 8.310 nan 0.000 0.517 364 V N -3.234 116.662 119.914 -0.031 0.000 3.427 364 V HA 0.727 4.848 4.120 0.001 0.000 0.305 364 V C 1.271 177.364 176.094 -0.002 0.000 1.412 364 V CA -0.035 62.255 62.300 -0.018 0.000 1.086 364 V CB -0.727 31.095 31.823 -0.003 0.000 0.964 364 V HN 0.715 nan 8.190 nan 0.000 0.439 365 G N 1.516 110.325 108.800 0.014 0.000 2.136 365 G HA2 -0.300 3.661 3.960 0.001 0.000 0.242 365 G HA3 -0.300 3.661 3.960 0.001 0.000 0.242 365 G C 0.705 175.637 174.900 0.052 0.000 0.989 365 G CA 1.067 46.190 45.100 0.039 0.000 0.682 365 G HN 1.167 nan 8.290 nan 0.000 0.522 366 T N -3.319 111.270 114.554 0.057 0.000 3.060 366 T HA 0.533 4.884 4.350 0.001 0.000 0.249 366 T C 1.005 175.739 174.700 0.057 0.000 1.079 366 T CA 0.366 62.494 62.100 0.047 0.000 1.013 366 T CB 0.749 69.638 68.868 0.035 0.000 0.975 366 T HN 0.347 nan 8.240 nan 0.000 0.518 367 R N 1.294 121.848 120.500 0.091 0.000 2.836 367 R HA 0.622 4.963 4.340 0.001 0.000 0.269 367 R C -0.231 176.146 176.300 0.128 0.000 1.010 367 R CA -0.345 55.805 56.100 0.083 0.000 0.930 367 R CB 1.571 31.915 30.300 0.073 0.000 1.218 367 R HN 0.436 nan 8.270 nan 0.000 0.473 368 T N -2.736 111.840 114.554 0.037 0.000 2.919 368 T HA 0.299 4.649 4.350 0.001 0.000 0.282 368 T C 1.208 175.685 174.700 -0.372 0.000 1.020 368 T CA -0.657 61.435 62.100 -0.012 0.000 0.994 368 T CB 0.802 69.663 68.868 -0.012 0.000 1.180 368 T HN 0.336 nan 8.240 nan 0.000 0.566 369 I N 0.734 120.943 120.570 -0.602 0.000 2.361 369 I HA -0.039 4.132 4.170 0.001 0.000 0.251 369 I C 2.228 178.142 176.117 -0.338 0.000 1.133 369 I CA 1.103 61.942 61.300 -0.768 0.000 1.413 369 I CB -0.630 37.077 38.000 -0.488 0.000 1.073 369 I HN 0.607 nan 8.210 nan 0.000 0.424 370 V N 0.826 120.623 119.914 -0.195 0.000 2.343 370 V HA -0.293 3.828 4.120 0.001 0.000 0.247 370 V C 2.202 178.242 176.094 -0.091 0.000 1.051 370 V CA 2.172 64.408 62.300 -0.106 0.000 1.036 370 V CB -0.903 30.882 31.823 -0.062 0.000 0.654 370 V HN 0.409 nan 8.190 nan 0.000 0.451 371 D N 0.074 120.417 120.400 -0.096 0.000 2.123 371 D HA -0.140 4.501 4.640 0.001 0.000 0.196 371 D C 2.181 178.440 176.300 -0.068 0.000 0.992 371 D CA 1.439 55.401 54.000 -0.063 0.000 0.833 371 D CB -0.155 40.619 40.800 -0.043 0.000 0.954 371 D HN 0.363 nan 8.370 nan 0.000 0.455 372 V N 1.277 121.116 119.914 -0.126 0.000 2.358 372 V HA -0.203 3.918 4.120 0.001 0.000 0.246 372 V C 2.644 178.708 176.094 -0.050 0.000 1.047 372 V CA 1.078 63.323 62.300 -0.092 0.000 1.035 372 V CB -0.418 31.307 31.823 -0.162 0.000 0.658 372 V HN 0.155 nan 8.190 nan 0.000 0.452 373 L N -0.338 120.846 121.223 -0.065 0.000 2.056 373 L HA -0.139 4.201 4.340 0.001 0.000 0.207 373 L C 2.360 179.234 176.870 0.006 0.000 1.078 373 L CA 1.423 56.252 54.840 -0.018 0.000 0.749 373 L CB -0.767 41.275 42.059 -0.028 0.000 0.901 373 L HN 0.298 nan 8.230 nan 0.000 0.433 374 D N 0.449 120.845 120.400 -0.008 0.000 2.117 374 D HA -0.166 4.474 4.640 0.001 0.000 0.197 374 D C 2.235 178.545 176.300 0.016 0.000 0.987 374 D CA 1.568 55.571 54.000 0.004 0.000 0.829 374 D CB -0.051 40.746 40.800 -0.006 0.000 0.961 374 D HN 0.326 nan 8.370 nan 0.000 0.460 375 A N 0.242 123.068 122.820 0.009 0.000 1.969 375 A HA -0.109 4.212 4.320 0.001 0.000 0.218 375 A C 2.318 179.922 177.584 0.034 0.000 1.169 375 A CA 1.679 53.724 52.037 0.013 0.000 0.635 375 A CB -0.670 18.332 19.000 0.004 0.000 0.810 375 A HN 0.191 nan 8.150 nan 0.000 0.445 376 T N -0.169 114.425 114.554 0.065 0.000 2.821 376 T HA -0.104 4.247 4.350 0.001 0.000 0.267 376 T C 1.996 176.824 174.700 0.213 0.000 1.046 376 T CA 1.901 64.093 62.100 0.153 0.000 1.139 376 T CB -0.452 68.514 68.868 0.163 0.000 0.871 376 T HN 0.545 nan 8.240 nan 0.000 0.454 377 T N 1.903 116.532 114.554 0.126 0.000 2.737 377 T HA -0.107 4.244 4.350 0.001 0.000 0.265 377 T C 2.321 177.071 174.700 0.084 0.000 1.038 377 T CA 1.613 63.782 62.100 0.114 0.000 1.144 377 T CB -0.756 68.149 68.868 0.060 0.000 0.866 377 T HN 0.384 nan 8.240 nan 0.000 0.434 378 T N 2.666 117.246 114.554 0.044 0.000 2.665 378 T HA -0.110 4.240 4.350 0.001 0.000 0.268 378 T C 1.905 176.592 174.700 -0.021 0.000 1.035 378 T CA 1.202 63.311 62.100 0.015 0.000 1.151 378 T CB -0.567 68.305 68.868 0.007 0.000 0.862 378 T HN 0.146 nan 8.240 nan 0.000 0.438 379 L N 0.183 121.374 121.223 -0.054 0.000 1.989 379 L HA -0.099 4.242 4.340 0.001 0.000 0.211 379 L C 2.140 178.821 176.870 -0.315 0.000 1.071 379 L CA 1.821 56.548 54.840 -0.189 0.000 0.749 379 L CB -0.937 40.965 42.059 -0.262 0.000 0.890 379 L HN 0.267 nan 8.230 nan 0.000 0.431 380 Y N 0.206 120.463 120.300 -0.072 0.000 2.274 380 Y HA -0.184 4.366 4.550 0.001 0.000 0.290 380 Y C 2.485 178.290 175.900 -0.157 0.000 1.145 380 Y CA 1.885 59.914 58.100 -0.119 0.000 1.203 380 Y CB -0.760 37.676 38.460 -0.040 0.000 0.984 380 Y HN 0.423 nan 8.280 nan 0.000 0.533 381 N N -0.421 118.284 118.700 0.009 0.000 2.120 381 N HA -0.180 4.561 4.740 0.001 0.000 0.188 381 N C 2.013 177.436 175.510 -0.145 0.000 1.024 381 N CA 0.777 53.801 53.050 -0.045 0.000 0.852 381 N CB -0.245 38.236 38.487 -0.009 0.000 1.003 381 N HN 0.334 nan 8.380 nan 0.000 0.424 382 A N 1.676 124.418 122.820 -0.130 0.000 1.969 382 A HA -0.128 4.193 4.320 0.001 0.000 0.218 382 A C 2.009 179.432 177.584 -0.269 0.000 1.169 382 A CA 1.222 53.176 52.037 -0.137 0.000 0.635 382 A CB -0.194 18.801 19.000 -0.008 0.000 0.810 382 A HN 0.196 nan 8.150 nan 0.000 0.445 383 K N -0.483 119.703 120.400 -0.358 0.000 2.057 383 K HA -0.143 4.177 4.320 0.001 0.000 0.206 383 K C 2.327 178.569 176.600 -0.597 0.000 1.050 383 K CA 1.460 57.424 56.287 -0.537 0.000 0.935 383 K CB -0.210 31.785 32.500 -0.841 0.000 0.715 383 K HN 0.580 nan 8.250 nan 0.000 0.439 384 Q N 0.727 120.229 119.800 -0.497 0.000 2.030 384 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 384 Q C 2.032 177.895 176.000 -0.229 0.000 0.986 384 Q CA 1.284 56.946 55.803 -0.234 0.000 0.843 384 Q CB -0.035 28.654 28.738 -0.083 0.000 0.904 384 Q HN 0.297 nan 8.270 nan 0.000 0.420 385 E N 0.666 120.623 120.200 -0.405 0.000 2.118 385 E HA -0.196 4.155 4.350 0.001 0.000 0.195 385 E C 2.094 178.331 176.600 -0.604 0.000 0.992 385 E CA 0.745 56.742 56.400 -0.672 0.000 0.804 385 E CB -0.258 28.560 29.700 -1.470 0.000 0.741 385 E HN 0.214 nan 8.360 nan 0.000 0.458 386 L N 1.129 122.080 121.223 -0.454 0.000 1.994 386 L HA -0.094 4.246 4.340 0.001 0.000 0.208 386 L C 2.293 179.063 176.870 -0.167 0.000 1.071 386 L CA 2.292 57.018 54.840 -0.190 0.000 0.745 386 L CB -0.920 41.069 42.059 -0.117 0.000 0.892 386 L HN 0.033 nan 8.230 nan 0.000 0.431 387 A N -0.463 122.291 122.820 -0.111 0.000 1.908 387 A HA -0.307 4.013 4.320 0.001 0.000 0.218 387 A C 2.320 179.898 177.584 -0.011 0.000 1.181 387 A CA 2.109 54.125 52.037 -0.035 0.000 0.627 387 A CB -1.161 17.998 19.000 0.266 0.000 0.818 387 A HN 0.742 nan 8.150 nan 0.000 0.445 388 N N -0.021 118.714 118.700 0.059 0.000 2.188 388 N HA -0.111 4.629 4.740 0.001 0.000 0.184 388 N C 1.920 177.465 175.510 0.057 0.000 1.018 388 N CA 1.142 54.274 53.050 0.136 0.000 0.858 388 N CB -0.186 38.332 38.487 0.052 0.000 0.989 388 N HN 0.397 nan 8.380 nan 0.000 0.426 389 A N 1.616 124.419 122.820 -0.028 0.000 1.972 389 A HA -0.102 4.219 4.320 0.001 0.000 0.219 389 A C 2.226 179.795 177.584 -0.024 0.000 1.169 389 A CA 0.840 52.884 52.037 0.012 0.000 0.635 389 A CB -0.372 18.666 19.000 0.064 0.000 0.810 389 A HN 0.338 nan 8.150 nan 0.000 0.446 390 R N -1.694 118.679 120.500 -0.211 0.000 2.075 390 R HA -0.136 4.204 4.340 0.001 0.000 0.232 390 R C 1.997 178.136 176.300 -0.269 0.000 1.126 390 R CA 1.784 57.664 56.100 -0.366 0.000 0.963 390 R CB -0.539 29.202 30.300 -0.931 0.000 0.858 390 R HN 0.718 nan 8.270 nan 0.000 0.435 391 Y N 0.899 121.161 120.300 -0.063 0.000 2.224 391 Y HA -0.149 4.402 4.550 0.001 0.000 0.289 391 Y C 2.050 177.915 175.900 -0.057 0.000 1.146 391 Y CA 1.226 59.272 58.100 -0.089 0.000 1.182 391 Y CB -0.365 38.089 38.460 -0.010 0.000 0.983 391 Y HN 0.194 nan 8.280 nan 0.000 0.524 392 N N -0.853 117.923 118.700 0.128 0.000 2.120 392 N HA -0.254 4.486 4.740 0.001 0.000 0.188 392 N C 1.666 177.223 175.510 0.079 0.000 1.024 392 N CA 1.136 54.242 53.050 0.094 0.000 0.852 392 N CB -0.380 38.162 38.487 0.091 0.000 1.003 392 N HN 0.312 nan 8.380 nan 0.000 0.424 393 Y N 2.071 122.365 120.300 -0.010 0.000 2.097 393 Y HA -0.181 4.370 4.550 0.001 0.000 0.282 393 Y C 1.997 177.876 175.900 -0.034 0.000 1.152 393 Y CA 1.440 59.538 58.100 -0.003 0.000 1.136 393 Y CB -0.478 38.017 38.460 0.058 0.000 0.975 393 Y HN -0.011 nan 8.280 nan 0.000 0.498 394 L N -0.417 120.745 121.223 -0.102 0.000 2.083 394 L HA -0.248 4.093 4.340 0.001 0.000 0.209 394 L C 2.362 179.081 176.870 -0.252 0.000 1.083 394 L CA 0.814 55.477 54.840 -0.294 0.000 0.752 394 L CB -0.589 41.200 42.059 -0.450 0.000 0.899 394 L HN 0.312 nan 8.230 nan 0.000 0.433 395 I N -0.033 120.451 120.570 -0.144 0.000 2.226 395 I HA -0.258 3.912 4.170 0.001 0.000 0.245 395 I C 2.241 178.319 176.117 -0.066 0.000 1.100 395 I CA 1.444 62.715 61.300 -0.047 0.000 1.374 395 I CB -1.311 36.706 38.000 0.029 0.000 1.057 395 I HN 0.390 nan 8.210 nan 0.000 0.413 396 N N 0.721 119.365 118.700 -0.092 0.000 2.223 396 N HA -0.178 4.562 4.740 0.001 0.000 0.185 396 N C 1.764 177.191 175.510 -0.138 0.000 1.016 396 N CA 0.920 53.916 53.050 -0.091 0.000 0.863 396 N CB -0.049 38.397 38.487 -0.069 0.000 0.983 396 N HN 0.469 nan 8.380 nan 0.000 0.429 397 Q N 0.589 120.241 119.800 -0.248 0.000 2.084 397 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 397 Q C 2.109 178.036 176.000 -0.121 0.000 0.978 397 Q CA 0.692 56.354 55.803 -0.235 0.000 0.844 397 Q CB -0.352 28.186 28.738 -0.333 0.000 0.898 397 Q HN 0.256 nan 8.270 nan 0.000 0.426 398 L N 1.324 122.490 121.223 -0.095 0.000 2.017 398 L HA -0.183 4.157 4.340 0.001 0.000 0.208 398 L C 1.817 178.669 176.870 -0.030 0.000 1.073 398 L CA 1.710 56.525 54.840 -0.043 0.000 0.745 398 L CB -1.226 40.830 42.059 -0.004 0.000 0.894 398 L HN 0.296 nan 8.230 nan 0.000 0.432 399 N N -0.784 117.900 118.700 -0.027 0.000 2.120 399 N HA -0.196 4.545 4.740 0.001 0.000 0.188 399 N C 2.015 177.518 175.510 -0.012 0.000 1.024 399 N CA 1.042 54.084 53.050 -0.012 0.000 0.852 399 N CB -0.073 38.410 38.487 -0.006 0.000 1.003 399 N HN 0.275 nan 8.380 nan 0.000 0.424 400 I N 0.927 121.486 120.570 -0.019 0.000 2.315 400 I HA -0.221 3.950 4.170 0.001 0.000 0.248 400 I C 2.151 178.263 176.117 -0.010 0.000 1.117 400 I CA 1.035 62.332 61.300 -0.004 0.000 1.404 400 I CB 0.145 38.147 38.000 0.003 0.000 1.071 400 I HN 0.012 nan 8.210 nan 0.000 0.419 401 K N 0.375 120.762 120.400 -0.023 0.000 2.057 401 K HA -0.139 4.181 4.320 0.001 0.000 0.206 401 K C 2.285 178.874 176.600 -0.018 0.000 1.050 401 K CA 1.569 57.843 56.287 -0.023 0.000 0.935 401 K CB -0.634 31.845 32.500 -0.034 0.000 0.715 401 K HN 0.212 nan 8.250 nan 0.000 0.439 402 S N -0.208 115.483 115.700 -0.017 0.000 2.368 402 S HA -0.095 4.375 4.470 0.001 0.000 0.225 402 S C 1.907 176.504 174.600 -0.006 0.000 1.030 402 S CA 1.361 59.554 58.200 -0.012 0.000 0.999 402 S CB -0.304 62.892 63.200 -0.008 0.000 0.844 402 S HN 0.349 nan 8.310 nan 0.000 0.459 403 A N 0.966 123.784 122.820 -0.004 0.000 2.067 403 A HA 0.176 4.497 4.320 0.001 0.000 0.219 403 A C 2.088 179.671 177.584 -0.002 0.000 1.158 403 A CA 0.915 52.950 52.037 -0.003 0.000 0.661 403 A CB -0.532 18.467 19.000 -0.002 0.000 0.801 403 A HN 0.595 nan 8.150 nan 0.000 0.452 404 L N -1.791 119.430 121.223 -0.003 0.000 2.240 404 L HA 0.102 4.442 4.340 0.001 0.000 0.211 404 L C 1.870 178.740 176.870 0.001 0.000 1.106 404 L CA 0.826 55.665 54.840 -0.001 0.000 0.793 404 L CB -0.306 41.751 42.059 -0.003 0.000 0.927 404 L HN 0.585 nan 8.230 nan 0.000 0.446 405 G N -0.073 108.726 108.800 -0.001 0.000 2.159 405 G HA2 -0.264 3.697 3.960 0.001 0.000 0.227 405 G HA3 -0.264 3.697 3.960 0.001 0.000 0.227 405 G C 0.699 175.597 174.900 -0.004 0.000 0.986 405 G CA 0.469 45.569 45.100 0.000 0.000 0.651 405 G HN 0.352 nan 8.290 nan 0.000 0.523 406 T N -1.561 112.988 114.554 -0.009 0.000 3.182 406 T HA 0.561 4.911 4.350 0.001 0.000 0.277 406 T C 0.897 175.583 174.700 -0.023 0.000 1.013 406 T CA -0.124 61.969 62.100 -0.013 0.000 0.900 406 T CB 0.425 69.287 68.868 -0.010 0.000 1.098 406 T HN 0.574 nan 8.240 nan 0.000 0.543 407 L N 3.641 124.847 121.223 -0.029 0.000 2.513 407 L HA 0.315 4.655 4.340 0.001 0.000 0.272 407 L C -0.198 176.639 176.870 -0.056 0.000 1.187 407 L CA 0.247 55.060 54.840 -0.044 0.000 0.895 407 L CB 0.064 42.097 42.059 -0.043 0.000 1.147 407 L HN 0.671 nan 8.230 nan 0.000 0.483 408 N N 1.304 119.960 118.700 -0.073 0.000 3.316 408 N HA 0.179 4.920 4.740 0.001 0.000 0.300 408 N C -0.065 175.368 175.510 -0.129 0.000 1.567 408 N CA -0.789 52.213 53.050 -0.079 0.000 0.821 408 N CB 0.514 38.974 38.487 -0.044 0.000 1.748 408 N HN 0.406 nan 8.380 nan 0.000 0.603 409 E N -0.926 119.206 120.200 -0.114 0.000 2.204 409 E HA -0.144 4.207 4.350 0.001 0.000 0.194 409 E C 0.787 177.324 176.600 -0.105 0.000 0.989 409 E CA 0.957 57.271 56.400 -0.143 0.000 0.824 409 E CB -0.086 29.588 29.700 -0.043 0.000 0.756 409 E HN 0.454 nan 8.360 nan 0.000 0.477 410 Q N 0.869 120.629 119.800 -0.067 0.000 2.119 410 Q HA -0.126 4.214 4.340 0.001 0.000 0.201 410 Q C 1.601 177.564 176.000 -0.060 0.000 0.972 410 Q CA 1.003 56.776 55.803 -0.051 0.000 0.847 410 Q CB -0.211 28.508 28.738 -0.032 0.000 0.903 410 Q HN 0.330 nan 8.270 nan 0.000 0.433 411 D N 0.456 120.813 120.400 -0.073 0.000 2.178 411 D HA -0.121 4.519 4.640 0.001 0.000 0.201 411 D C 2.003 178.252 176.300 -0.085 0.000 0.980 411 D CA 0.521 54.480 54.000 -0.069 0.000 0.842 411 D CB -0.025 40.732 40.800 -0.071 0.000 0.948 411 D HN 0.161 nan 8.370 nan 0.000 0.472 412 L N 0.795 121.933 121.223 -0.141 0.000 2.156 412 L HA -0.065 4.275 4.340 0.001 0.000 0.208 412 L C 2.082 178.878 176.870 -0.124 0.000 1.095 412 L CA 0.743 55.475 54.840 -0.180 0.000 0.770 412 L CB -0.061 41.783 42.059 -0.359 0.000 0.914 412 L HN 0.021 nan 8.230 nan 0.000 0.439 413 L N -0.429 120.736 121.223 -0.096 0.000 2.093 413 L HA -0.095 4.246 4.340 0.001 0.000 0.208 413 L C 2.447 179.296 176.870 -0.035 0.000 1.085 413 L CA 1.950 56.755 54.840 -0.058 0.000 0.755 413 L CB -1.025 41.009 42.059 -0.042 0.000 0.904 413 L HN 0.376 nan 8.230 nan 0.000 0.435 414 A N 0.006 122.808 122.820 -0.030 0.000 1.930 414 A HA -0.148 4.173 4.320 0.001 0.000 0.217 414 A C 2.261 179.852 177.584 0.013 0.000 1.175 414 A CA 1.287 53.317 52.037 -0.011 0.000 0.627 414 A CB -0.503 18.488 19.000 -0.016 0.000 0.815 414 A HN 0.492 nan 8.150 nan 0.000 0.443 415 L N -0.661 120.574 121.223 0.020 0.000 2.093 415 L HA -0.160 4.181 4.340 0.001 0.000 0.208 415 L C 2.449 179.371 176.870 0.087 0.000 1.085 415 L CA 1.492 56.388 54.840 0.094 0.000 0.755 415 L CB -0.486 41.664 42.059 0.152 0.000 0.904 415 L HN 0.491 nan 8.230 nan 0.000 0.435 416 N N 0.598 119.292 118.700 -0.009 0.000 2.223 416 N HA -0.203 4.537 4.740 0.001 0.000 0.185 416 N C 1.411 176.927 175.510 0.010 0.000 1.016 416 N CA 1.420 54.443 53.050 -0.044 0.000 0.863 416 N CB -0.137 38.298 38.487 -0.087 0.000 0.983 416 N HN 0.313 nan 8.380 nan 0.000 0.429 417 N N -0.766 117.946 118.700 0.020 0.000 2.520 417 N HA -0.015 4.726 4.740 0.001 0.000 0.185 417 N C 0.864 176.410 175.510 0.059 0.000 1.068 417 N CA 0.551 53.619 53.050 0.030 0.000 0.911 417 N CB 0.011 38.508 38.487 0.018 0.000 0.961 417 N HN 0.272 nan 8.380 nan 0.000 0.446 418 A N 0.411 123.288 122.820 0.095 0.000 2.251 418 A HA 0.172 4.493 4.320 0.001 0.000 0.209 418 A C 0.538 178.226 177.584 0.174 0.000 1.187 418 A CA 0.119 52.240 52.037 0.140 0.000 0.823 418 A CB -0.017 19.093 19.000 0.184 0.000 0.846 418 A HN 0.111 nan 8.150 nan 0.000 0.486 419 L N -0.597 120.711 121.223 0.142 0.000 2.358 419 L HA 0.562 4.903 4.340 0.001 0.000 0.268 419 L C 1.011 177.940 176.870 0.099 0.000 1.032 419 L CA -0.115 54.812 54.840 0.145 0.000 0.805 419 L CB 1.884 44.020 42.059 0.129 0.000 1.253 419 L HN 0.373 nan 8.230 nan 0.000 0.452 420 S N -0.438 115.319 115.700 0.095 0.000 4.274 420 S HA 0.290 4.761 4.470 0.001 0.000 0.171 420 S C -0.353 174.280 174.600 0.056 0.000 1.154 420 S CA -0.807 57.433 58.200 0.066 0.000 1.145 420 S CB 0.146 63.383 63.200 0.061 0.000 1.986 420 S HN 0.451 nan 8.310 nan 0.000 0.795 421 K N 3.452 123.881 120.400 0.049 0.000 2.355 421 K HA 0.425 4.746 4.320 0.001 0.000 0.270 421 K C -2.749 173.869 176.600 0.030 0.000 1.003 421 K CA -1.457 54.851 56.287 0.035 0.000 0.957 421 K CB -0.340 32.177 32.500 0.029 0.000 0.939 421 K HN 0.285 nan 8.250 nan 0.000 0.482 422 P HA 0.110 nan 4.420 nan 0.000 0.275 422 P C -0.766 176.530 177.300 -0.007 0.000 1.227 422 P CA -0.325 62.778 63.100 0.005 0.000 0.781 422 P CB 0.880 32.583 31.700 0.004 0.000 0.906 423 V N 1.233 121.132 119.914 -0.025 0.000 3.007 423 V HA 0.412 4.533 4.120 0.001 0.000 0.311 423 V C 0.095 176.157 176.094 -0.054 0.000 1.120 423 V CA -0.746 61.533 62.300 -0.036 0.000 0.980 423 V CB 2.213 34.012 31.823 -0.040 0.000 1.033 423 V HN 0.620 nan 8.190 nan 0.000 0.429 424 S N 1.085 116.757 115.700 -0.047 0.000 2.537 424 S HA 0.245 4.715 4.470 0.001 0.000 0.275 424 S C 1.117 175.679 174.600 -0.062 0.000 1.272 424 S CA 0.295 58.468 58.200 -0.045 0.000 1.050 424 S CB 1.275 64.460 63.200 -0.024 0.000 0.961 424 S HN 1.108 nan 8.310 nan 0.000 0.496 425 T N 0.847 115.356 114.554 -0.075 0.000 3.129 425 T HA 0.190 4.541 4.350 0.001 0.000 0.251 425 T C 0.506 175.195 174.700 -0.018 0.000 1.117 425 T CA 0.069 62.121 62.100 -0.080 0.000 1.034 425 T CB -0.602 68.183 68.868 -0.138 0.000 0.968 425 T HN 0.688 nan 8.240 nan 0.000 0.526 426 N N 1.843 120.548 118.700 0.008 0.000 2.697 426 N HA 0.231 4.971 4.740 0.001 0.000 0.253 426 N C -2.999 172.519 175.510 0.012 0.000 1.604 426 N CA -0.997 52.073 53.050 0.033 0.000 0.772 426 N CB 1.522 40.067 38.487 0.096 0.000 1.267 426 N HN 0.229 nan 8.380 nan 0.000 0.510 427 P HA 0.339 nan 4.420 nan 0.000 0.281 427 P C -0.772 176.518 177.300 -0.016 0.000 1.281 427 P CA -0.147 62.944 63.100 -0.014 0.000 0.811 427 P CB 1.963 33.646 31.700 -0.028 0.000 1.154 428 E N 0.000 120.189 120.200 -0.018 0.000 2.725 428 E HA 0.000 4.351 4.350 0.001 0.000 0.291 428 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 428 E CB 0.000 29.688 29.700 -0.021 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440