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 2bi5_1_B DATA FIRST_RESID 2 DATA SEQUENCE KQVFNFNAGP SALPKPALER AQKELLNFND TQMSVMELSH RSQSYEEVHE DATA SEQUENCE QAQNLLRELL QIPNDYQILF LQGGASLQFT MLPMNLLTKG TIGNYVLTGS DATA SEQUENCE WSEKALKEAK LLGETHIAAS TKANSYQSIP DFSEFQLNEN DAYLHITSNN DATA SEQUENCE TIYGTQYQNF PEINHAPLIA DMSSDILSRP LKVNQFGMIY AGAQKNLGPS DATA SEQUENCE GVTVVIVKKD LLXXXVEQVP TMLQYATHIK SDSLYNTPPT FSIYMLRNVL DATA SEQUENCE DWIKDLGGAE AIAKQNEEKA KIIYDTIDES NGFYVGHAEK GSRSLMNVTF DATA SEQUENCE NLRNEELNQQ FLAKAKEQGF VGLNGHRSVG GCRASIYNAV PIDACIALRE DATA SEQUENCE LMIQFKENA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.505 176.600 -0.159 0.000 0.988 2 K CA 0.000 56.231 56.287 -0.093 0.000 0.838 2 K CB 0.000 32.454 32.500 -0.077 0.000 1.064 3 Q N 0.609 120.290 119.800 -0.198 0.000 2.294 3 Q HA 0.669 5.014 4.340 0.008 0.000 0.257 3 Q C -0.665 175.003 176.000 -0.554 0.000 0.955 3 Q CA -0.307 55.264 55.803 -0.386 0.000 0.936 3 Q CB 1.665 30.223 28.738 -0.300 0.000 1.188 3 Q HN 0.367 nan 8.270 nan 0.000 0.420 4 V N 5.088 124.542 119.914 -0.767 0.000 2.686 4 V HA 0.517 4.642 4.120 0.008 0.000 0.306 4 V C -1.248 174.317 176.094 -0.882 0.000 1.065 4 V CA -0.705 61.207 62.300 -0.647 0.000 0.894 4 V CB 1.565 33.200 31.823 -0.313 0.000 1.004 4 V HN 0.652 nan 8.190 nan 0.000 0.424 5 F N 2.937 122.750 119.950 -0.229 0.000 2.445 5 F HA 0.454 4.984 4.527 0.005 0.000 0.348 5 F C 0.382 176.150 175.800 -0.052 0.000 1.125 5 F CA -0.582 57.303 58.000 -0.192 0.000 0.983 5 F CB 1.418 40.270 39.000 -0.248 0.000 1.198 5 F HN 0.410 nan 8.300 nan 0.000 0.436 6 N N 3.755 122.422 118.700 -0.055 0.000 2.602 6 N HA 0.167 4.912 4.740 0.008 0.000 0.238 6 N C -0.445 174.969 175.510 -0.159 0.000 1.084 6 N CA -0.208 52.814 53.050 -0.046 0.000 0.952 6 N CB -0.047 38.395 38.487 -0.074 0.000 1.244 6 N HN 0.437 nan 8.380 nan 0.000 0.512 7 F N 0.697 120.717 119.950 0.117 0.000 2.713 7 F HA 0.280 4.811 4.527 0.006 0.000 0.294 7 F C 0.860 176.687 175.800 0.046 0.000 1.152 7 F CA -0.676 57.368 58.000 0.074 0.000 1.385 7 F CB -0.212 38.852 39.000 0.108 0.000 0.981 7 F HN 0.223 nan 8.300 nan 0.000 0.514 8 N N 0.904 119.705 118.700 0.169 0.000 2.407 8 N HA 0.039 4.784 4.740 0.008 0.000 0.250 8 N C 1.035 176.660 175.510 0.191 0.000 1.236 8 N CA 0.423 53.567 53.050 0.156 0.000 0.879 8 N CB 1.232 39.792 38.487 0.122 0.000 1.088 8 N HN 0.268 nan 8.380 nan 0.000 0.450 9 A N 1.144 124.095 122.820 0.218 0.000 2.275 9 A HA 0.396 4.721 4.320 0.008 0.000 0.212 9 A C 0.754 178.587 177.584 0.416 0.000 1.201 9 A CA 0.677 52.906 52.037 0.319 0.000 0.843 9 A CB -0.196 18.953 19.000 0.248 0.000 0.873 9 A HN 0.737 nan 8.150 nan 0.000 0.492 10 G N 0.251 109.211 108.800 0.267 0.000 2.414 10 G HA2 0.353 4.317 3.960 0.008 0.000 0.213 10 G HA3 0.353 4.317 3.960 0.008 0.000 0.213 10 G C -3.005 171.955 174.900 0.100 0.000 1.444 10 G CA -0.781 44.404 45.100 0.142 0.000 1.076 10 G HN 0.116 nan 8.290 nan 0.000 0.638 11 P HA 0.639 nan 4.420 nan 0.000 0.271 11 P C 0.147 177.493 177.300 0.077 0.000 1.244 11 P CA -0.141 62.981 63.100 0.037 0.000 0.793 11 P CB 0.817 32.529 31.700 0.019 0.000 0.984 12 S N -1.332 114.405 115.700 0.061 0.000 2.705 12 S HA 0.684 5.159 4.470 0.008 0.000 0.280 12 S C -0.896 173.727 174.600 0.037 0.000 1.174 12 S CA -0.708 57.559 58.200 0.112 0.000 0.823 12 S CB 1.106 64.464 63.200 0.264 0.000 1.162 12 S HN 0.623 nan 8.310 nan 0.000 0.487 13 A N 0.688 123.523 122.820 0.025 0.000 2.555 13 A HA 0.493 4.818 4.320 0.008 0.000 0.233 13 A C -0.517 177.012 177.584 -0.090 0.000 1.060 13 A CA 0.338 52.344 52.037 -0.051 0.000 0.759 13 A CB -0.532 18.418 19.000 -0.083 0.000 0.995 13 A HN 0.619 nan 8.150 nan 0.000 0.506 14 L N 2.039 123.172 121.223 -0.151 0.000 2.301 14 L HA 0.469 4.814 4.340 0.008 0.000 0.264 14 L C -2.263 174.382 176.870 -0.374 0.000 1.016 14 L CA -2.290 52.405 54.840 -0.241 0.000 0.821 14 L CB 2.018 43.962 42.059 -0.192 0.000 1.346 14 L HN 0.415 nan 8.230 nan 0.000 0.429 15 P HA 0.102 nan 4.420 nan 0.000 0.267 15 P C -0.085 176.919 177.300 -0.494 0.000 1.209 15 P CA -0.167 62.375 63.100 -0.930 0.000 0.763 15 P CB 0.566 31.182 31.700 -1.807 0.000 0.816 16 K N 4.370 124.578 120.400 -0.321 0.000 2.044 16 K HA -0.159 4.166 4.320 0.008 0.000 0.210 16 K C -0.839 175.688 176.600 -0.122 0.000 1.049 16 K CA 2.040 58.229 56.287 -0.163 0.000 0.927 16 K CB -1.642 30.807 32.500 -0.085 0.000 0.713 16 K HN 0.455 nan 8.250 nan 0.000 0.443 17 P HA -0.153 nan 4.420 nan 0.000 0.216 17 P C 1.050 178.329 177.300 -0.035 0.000 1.150 17 P CA 1.562 64.662 63.100 -0.001 0.000 0.837 17 P CB -0.004 31.780 31.700 0.142 0.000 0.786 18 A N -0.937 121.803 122.820 -0.133 0.000 1.930 18 A HA -0.130 4.195 4.320 0.008 0.000 0.217 18 A C 2.202 179.733 177.584 -0.089 0.000 1.175 18 A CA 1.292 53.255 52.037 -0.124 0.000 0.627 18 A CB -1.544 17.332 19.000 -0.207 0.000 0.815 18 A HN 0.131 nan 8.150 nan 0.000 0.443 19 L N -1.034 120.136 121.223 -0.089 0.000 2.131 19 L HA -0.115 4.230 4.340 0.008 0.000 0.206 19 L C 2.550 179.432 176.870 0.020 0.000 1.087 19 L CA 1.157 55.982 54.840 -0.025 0.000 0.767 19 L CB -0.358 41.673 42.059 -0.046 0.000 0.917 19 L HN 0.453 nan 8.230 nan 0.000 0.441 20 E N -0.265 119.936 120.200 0.003 0.000 2.110 20 E HA -0.267 4.088 4.350 0.008 0.000 0.193 20 E C 2.209 178.844 176.600 0.058 0.000 0.988 20 E CA 0.943 57.359 56.400 0.027 0.000 0.804 20 E CB -0.042 29.668 29.700 0.016 0.000 0.745 20 E HN 0.296 nan 8.360 nan 0.000 0.458 21 R N 0.772 121.309 120.500 0.060 0.000 2.081 21 R HA -0.143 4.202 4.340 0.008 0.000 0.235 21 R C 2.263 178.669 176.300 0.176 0.000 1.131 21 R CA 1.344 57.503 56.100 0.099 0.000 0.960 21 R CB -0.223 30.122 30.300 0.076 0.000 0.856 21 R HN 0.137 nan 8.270 nan 0.000 0.436 22 A N 0.851 123.786 122.820 0.191 0.000 1.908 22 A HA -0.268 4.056 4.320 0.008 0.000 0.218 22 A C 2.125 179.859 177.584 0.251 0.000 1.181 22 A CA 1.693 53.932 52.037 0.336 0.000 0.627 22 A CB -0.708 18.496 19.000 0.341 0.000 0.818 22 A HN 0.609 nan 8.150 nan 0.000 0.445 23 Q N -0.364 119.531 119.800 0.158 0.000 2.050 23 Q HA -0.244 4.101 4.340 0.008 0.000 0.202 23 Q C 2.177 178.235 176.000 0.097 0.000 0.980 23 Q CA 2.108 57.976 55.803 0.108 0.000 0.840 23 Q CB -0.180 28.598 28.738 0.066 0.000 0.898 23 Q HN 0.686 nan 8.270 nan 0.000 0.424 24 K N 0.396 120.855 120.400 0.098 0.000 2.057 24 K HA -0.181 4.144 4.320 0.008 0.000 0.207 24 K C 1.221 177.876 176.600 0.091 0.000 1.049 24 K CA 1.766 58.101 56.287 0.080 0.000 0.931 24 K CB 0.024 32.568 32.500 0.073 0.000 0.714 24 K HN 0.397 nan 8.250 nan 0.000 0.440 25 E N 0.393 120.675 120.200 0.138 0.000 2.496 25 E HA -0.012 4.343 4.350 0.008 0.000 0.200 25 E C 1.380 178.066 176.600 0.143 0.000 1.016 25 E CA -0.165 56.323 56.400 0.145 0.000 0.962 25 E CB 0.161 29.984 29.700 0.204 0.000 1.071 25 E HN 0.152 nan 8.360 nan 0.000 0.457 26 L N 0.632 121.924 121.223 0.114 0.000 2.131 26 L HA -0.092 4.253 4.340 0.008 0.000 0.210 26 L C 1.876 178.768 176.870 0.038 0.000 1.092 26 L CA 1.563 56.449 54.840 0.077 0.000 0.759 26 L CB -0.019 42.071 42.059 0.052 0.000 0.903 26 L HN 0.311 nan 8.230 nan 0.000 0.435 27 L N -1.608 119.640 121.223 0.042 0.000 2.463 27 L HA 0.148 4.493 4.340 0.008 0.000 0.219 27 L C 0.301 177.198 176.870 0.045 0.000 1.088 27 L CA 0.097 54.953 54.840 0.027 0.000 0.849 27 L CB -0.100 41.968 42.059 0.016 0.000 1.012 27 L HN 0.274 nan 8.230 nan 0.000 0.468 28 N N 0.186 118.927 118.700 0.069 0.000 2.675 28 N HA 0.114 4.859 4.740 0.008 0.000 0.254 28 N C -1.379 174.191 175.510 0.100 0.000 1.224 28 N CA -0.472 52.620 53.050 0.069 0.000 0.777 28 N CB 0.593 39.100 38.487 0.033 0.000 1.256 28 N HN -0.052 nan 8.380 nan 0.000 0.531 29 F N 3.627 123.572 119.950 -0.009 0.000 2.445 29 F HA 0.356 4.887 4.527 0.007 0.000 0.359 29 F C 1.096 176.906 175.800 0.017 0.000 1.101 29 F CA -0.098 57.898 58.000 -0.006 0.000 1.177 29 F CB 0.442 39.410 39.000 -0.053 0.000 1.110 29 F HN 0.559 nan 8.300 nan 0.000 0.522 30 N N 4.425 122.642 118.700 -0.805 0.000 2.727 30 N HA -0.264 4.481 4.740 0.008 0.000 0.249 30 N C -0.207 175.132 175.510 -0.284 0.000 1.048 30 N CA 1.377 54.011 53.050 -0.694 0.000 0.714 30 N CB -1.184 36.627 38.487 -1.125 0.000 0.959 30 N HN 0.862 nan 8.380 nan 0.000 0.544 31 D N -3.487 116.816 120.400 -0.161 0.000 3.012 31 D HA -0.226 4.419 4.640 0.008 0.000 0.222 31 D C 0.988 177.265 176.300 -0.038 0.000 1.167 31 D CA 1.550 55.506 54.000 -0.074 0.000 0.854 31 D CB -1.686 39.074 40.800 -0.067 0.000 1.107 31 D HN 0.763 nan 8.370 nan 0.000 0.421 32 T N -3.507 111.036 114.554 -0.019 0.000 3.081 32 T HA -0.057 4.298 4.350 0.008 0.000 0.255 32 T C 1.111 175.832 174.700 0.035 0.000 1.113 32 T CA 0.737 62.855 62.100 0.029 0.000 1.082 32 T CB 0.453 69.375 68.868 0.091 0.000 0.939 32 T HN 0.118 nan 8.240 nan 0.000 0.506 33 Q N -0.442 119.376 119.800 0.031 0.000 2.465 33 Q HA -0.125 4.219 4.340 0.008 0.000 0.248 33 Q C -0.302 175.721 176.000 0.038 0.000 0.819 33 Q CA 1.009 56.830 55.803 0.028 0.000 1.219 33 Q CB -2.338 26.410 28.738 0.017 0.000 1.472 33 Q HN 0.663 nan 8.270 nan 0.000 0.630 34 M N -0.680 118.958 119.600 0.063 0.000 2.644 34 M HA 0.438 4.923 4.480 0.008 0.000 0.304 34 M C 0.353 176.703 176.300 0.083 0.000 1.215 34 M CA -0.559 54.777 55.300 0.060 0.000 0.871 34 M CB 2.251 34.887 32.600 0.061 0.000 1.740 34 M HN 0.024 nan 8.290 nan 0.000 0.464 35 S N 0.183 115.904 115.700 0.035 0.000 2.593 35 S HA 0.120 4.595 4.470 0.008 0.000 0.269 35 S C 0.952 175.535 174.600 -0.029 0.000 1.334 35 S CA -0.482 57.723 58.200 0.008 0.000 1.015 35 S CB 1.085 64.257 63.200 -0.047 0.000 0.912 35 S HN 0.613 nan 8.310 nan 0.000 0.541 36 V N 5.184 124.994 119.914 -0.174 0.000 2.568 36 V HA -0.157 3.968 4.120 0.008 0.000 0.253 36 V C 2.062 178.053 176.094 -0.171 0.000 1.072 36 V CA 2.214 64.272 62.300 -0.403 0.000 1.084 36 V CB -0.545 30.666 31.823 -1.021 0.000 0.676 36 V HN 0.945 nan 8.190 nan 0.000 0.469 37 M N -0.926 118.617 119.600 -0.096 0.000 2.549 37 M HA -0.110 4.374 4.480 0.008 0.000 0.260 37 M C 1.524 177.780 176.300 -0.073 0.000 1.076 37 M CA 1.476 56.732 55.300 -0.075 0.000 1.090 37 M CB -0.142 32.377 32.600 -0.135 0.000 1.418 37 M HN 0.416 nan 8.290 nan 0.000 0.486 38 E N -0.114 120.054 120.200 -0.054 0.000 2.498 38 E HA 0.220 4.575 4.350 0.008 0.000 0.203 38 E C -0.212 176.381 176.600 -0.012 0.000 1.013 38 E CA -0.177 56.204 56.400 -0.032 0.000 0.927 38 E CB 0.528 30.217 29.700 -0.018 0.000 1.012 38 E HN 0.419 nan 8.360 nan 0.000 0.482 39 L N 1.088 122.304 121.223 -0.013 0.000 2.375 39 L HA 0.215 4.560 4.340 0.008 0.000 0.271 39 L C 0.641 177.515 176.870 0.005 0.000 1.107 39 L CA -0.607 54.247 54.840 0.023 0.000 0.806 39 L CB 1.327 43.429 42.059 0.071 0.000 1.146 39 L HN -0.064 nan 8.230 nan 0.000 0.447 40 S N 0.896 116.612 115.700 0.027 0.000 2.560 40 S HA -0.025 4.450 4.470 0.008 0.000 0.284 40 S C 1.323 175.939 174.600 0.027 0.000 1.327 40 S CA -0.521 57.695 58.200 0.027 0.000 1.055 40 S CB 0.356 63.547 63.200 -0.014 0.000 0.868 40 S HN 0.758 nan 8.310 nan 0.000 0.506 41 H N 4.969 123.962 119.070 -0.129 0.000 2.559 41 H HA 0.152 4.713 4.556 0.008 0.000 0.273 41 H C 0.977 176.341 175.328 0.060 0.000 1.000 41 H CA 0.481 56.434 56.048 -0.157 0.000 1.195 41 H CB -0.145 29.449 29.762 -0.280 0.000 1.368 41 H HN 0.628 nan 8.280 nan 0.000 0.592 42 R N 1.531 121.808 120.500 -0.372 0.000 2.334 42 R HA 0.100 4.445 4.340 0.008 0.000 0.216 42 R C 0.568 176.831 176.300 -0.062 0.000 0.905 42 R CA 0.367 56.319 56.100 -0.247 0.000 1.064 42 R CB 0.441 30.541 30.300 -0.334 0.000 1.046 42 R HN 0.323 nan 8.270 nan 0.000 0.508 43 S N -0.020 115.689 115.700 0.015 0.000 2.585 43 S HA 0.026 4.500 4.470 0.008 0.000 0.273 43 S C 1.103 175.756 174.600 0.088 0.000 1.339 43 S CA -0.552 57.683 58.200 0.057 0.000 1.028 43 S CB 2.065 65.318 63.200 0.088 0.000 0.906 43 S HN 0.149 nan 8.310 nan 0.000 0.528 44 Q N 1.213 121.054 119.800 0.068 0.000 2.167 44 Q HA -0.103 4.241 4.340 0.008 0.000 0.202 44 Q C 2.039 178.100 176.000 0.101 0.000 0.970 44 Q CA 1.599 57.443 55.803 0.067 0.000 0.855 44 Q CB -0.348 28.420 28.738 0.050 0.000 0.911 44 Q HN 0.913 nan 8.270 nan 0.000 0.438 45 S N 0.128 115.912 115.700 0.140 0.000 2.359 45 S HA -0.201 4.273 4.470 0.008 0.000 0.224 45 S C 1.566 176.315 174.600 0.248 0.000 1.035 45 S CA 1.468 59.801 58.200 0.222 0.000 1.018 45 S CB -0.578 62.779 63.200 0.262 0.000 0.876 45 S HN 0.525 nan 8.310 nan 0.000 0.448 46 Y N 2.157 122.526 120.300 0.115 0.000 2.200 46 Y HA -0.050 4.505 4.550 0.008 0.000 0.290 46 Y C 2.174 178.149 175.900 0.125 0.000 1.137 46 Y CA 1.423 59.574 58.100 0.085 0.000 1.163 46 Y CB -0.414 38.077 38.460 0.052 0.000 0.988 46 Y HN 0.258 nan 8.280 nan 0.000 0.518 47 E N -0.028 120.152 120.200 -0.033 0.000 2.153 47 E HA -0.229 4.126 4.350 0.008 0.000 0.194 47 E C 1.932 178.491 176.600 -0.070 0.000 0.988 47 E CA 1.436 57.787 56.400 -0.083 0.000 0.811 47 E CB -0.070 29.644 29.700 0.023 0.000 0.746 47 E HN 0.639 nan 8.360 nan 0.000 0.466 48 E N -0.003 120.187 120.200 -0.017 0.000 2.106 48 E HA -0.145 4.210 4.350 0.008 0.000 0.192 48 E C 2.081 178.684 176.600 0.005 0.000 0.984 48 E CA 0.840 57.254 56.400 0.023 0.000 0.806 48 E CB 0.163 29.905 29.700 0.070 0.000 0.750 48 E HN 0.042 nan 8.360 nan 0.000 0.458 49 V N 0.419 120.302 119.914 -0.051 0.000 2.307 49 V HA -0.269 3.856 4.120 0.008 0.000 0.245 49 V C 2.138 178.168 176.094 -0.108 0.000 1.045 49 V CA 2.183 64.453 62.300 -0.049 0.000 1.024 49 V CB -0.538 31.250 31.823 -0.059 0.000 0.651 49 V HN 0.333 nan 8.190 nan 0.000 0.449 50 H N 0.725 119.538 119.070 -0.428 0.000 2.289 50 H HA -0.254 4.307 4.556 0.008 0.000 0.296 50 H C 2.353 177.710 175.328 0.049 0.000 1.091 50 H CA 2.471 58.396 56.048 -0.205 0.000 1.274 50 H CB -0.010 29.560 29.762 -0.320 0.000 1.364 50 H HN 0.633 nan 8.280 nan 0.000 0.490 51 E N -0.360 119.892 120.200 0.086 0.000 2.107 51 E HA -0.209 4.146 4.350 0.008 0.000 0.191 51 E C 2.364 178.985 176.600 0.036 0.000 0.982 51 E CA 0.969 57.405 56.400 0.061 0.000 0.809 51 E CB -0.163 29.575 29.700 0.063 0.000 0.756 51 E HN 0.635 nan 8.360 nan 0.000 0.459 52 Q N -0.005 119.813 119.800 0.030 0.000 2.124 52 Q HA -0.178 4.167 4.340 0.008 0.000 0.202 52 Q C 2.118 178.135 176.000 0.028 0.000 0.977 52 Q CA 1.453 57.272 55.803 0.026 0.000 0.850 52 Q CB -0.185 28.571 28.738 0.029 0.000 0.901 52 Q HN 0.447 nan 8.270 nan 0.000 0.429 53 A N 0.532 123.374 122.820 0.037 0.000 1.902 53 A HA -0.241 4.084 4.320 0.008 0.000 0.217 53 A C 1.911 179.606 177.584 0.185 0.000 1.181 53 A CA 1.557 53.631 52.037 0.062 0.000 0.623 53 A CB -0.478 18.499 19.000 -0.037 0.000 0.818 53 A HN 0.475 nan 8.150 nan 0.000 0.443 54 Q N -0.362 119.545 119.800 0.178 0.000 2.050 54 Q HA -0.163 4.182 4.340 0.008 0.000 0.202 54 Q C 1.898 177.908 176.000 0.016 0.000 0.980 54 Q CA 1.472 57.300 55.803 0.041 0.000 0.840 54 Q CB -0.222 28.441 28.738 -0.125 0.000 0.898 54 Q HN 0.621 nan 8.270 nan 0.000 0.424 55 N N 0.618 119.328 118.700 0.016 0.000 2.104 55 N HA -0.137 4.608 4.740 0.008 0.000 0.190 55 N C 1.753 177.268 175.510 0.008 0.000 1.024 55 N CA 1.052 54.107 53.050 0.008 0.000 0.853 55 N CB -0.241 38.253 38.487 0.011 0.000 1.008 55 N HN 0.202 nan 8.380 nan 0.000 0.424 56 L N 0.284 121.517 121.223 0.015 0.000 2.056 56 L HA -0.078 4.267 4.340 0.008 0.000 0.207 56 L C 2.193 179.067 176.870 0.007 0.000 1.078 56 L CA 0.651 55.496 54.840 0.008 0.000 0.749 56 L CB -0.370 41.693 42.059 0.006 0.000 0.901 56 L HN 0.110 nan 8.230 nan 0.000 0.433 57 L N -0.568 120.667 121.223 0.021 0.000 2.046 57 L HA -0.227 4.118 4.340 0.008 0.000 0.208 57 L C 2.840 179.701 176.870 -0.015 0.000 1.077 57 L CA 1.234 56.080 54.840 0.010 0.000 0.747 57 L CB -0.394 41.687 42.059 0.036 0.000 0.896 57 L HN 0.210 nan 8.230 nan 0.000 0.432 58 R N 0.076 120.567 120.500 -0.016 0.000 2.073 58 R HA -0.239 4.106 4.340 0.008 0.000 0.234 58 R C 2.272 178.557 176.300 -0.025 0.000 1.134 58 R CA 1.964 58.049 56.100 -0.026 0.000 0.952 58 R CB -0.166 30.123 30.300 -0.018 0.000 0.850 58 R HN 0.390 nan 8.270 nan 0.000 0.433 59 E N 0.240 120.431 120.200 -0.016 0.000 2.051 59 E HA -0.201 4.153 4.350 0.008 0.000 0.192 59 E C 2.018 178.606 176.600 -0.020 0.000 0.991 59 E CA 1.314 57.704 56.400 -0.016 0.000 0.799 59 E CB -0.061 29.632 29.700 -0.011 0.000 0.748 59 E HN 0.391 nan 8.360 nan 0.000 0.449 60 L N 0.312 121.523 121.223 -0.020 0.000 2.109 60 L HA -0.094 4.251 4.340 0.008 0.000 0.207 60 L C 2.213 179.067 176.870 -0.026 0.000 1.086 60 L CA 0.632 55.459 54.840 -0.021 0.000 0.760 60 L CB -0.014 42.035 42.059 -0.016 0.000 0.910 60 L HN 0.221 nan 8.230 nan 0.000 0.437 61 L N -1.059 120.142 121.223 -0.036 0.000 2.607 61 L HA 0.091 4.435 4.340 0.008 0.000 0.228 61 L C 0.365 177.201 176.870 -0.057 0.000 1.123 61 L CA -0.013 54.797 54.840 -0.050 0.000 0.890 61 L CB -0.004 42.008 42.059 -0.077 0.000 1.103 61 L HN 0.259 nan 8.230 nan 0.000 0.468 62 Q N 1.091 120.864 119.800 -0.045 0.000 2.452 62 Q HA -0.194 4.151 4.340 0.008 0.000 0.318 62 Q C -0.325 175.632 176.000 -0.072 0.000 1.386 62 Q CA 0.377 56.154 55.803 -0.044 0.000 0.872 62 Q CB -1.230 27.489 28.738 -0.031 0.000 1.151 62 Q HN 0.472 nan 8.270 nan 0.000 0.417 63 I N 1.535 122.055 120.570 -0.084 0.000 2.452 63 I HA 0.158 4.333 4.170 0.008 0.000 0.287 63 I C -1.615 174.469 176.117 -0.056 0.000 1.079 63 I CA -1.899 59.322 61.300 -0.132 0.000 1.387 63 I CB 0.312 38.243 38.000 -0.114 0.000 1.404 63 I HN 0.028 nan 8.210 nan 0.000 0.522 64 P HA 0.081 nan 4.420 nan 0.000 0.271 64 P C 0.245 177.632 177.300 0.145 0.000 1.233 64 P CA -0.253 62.897 63.100 0.084 0.000 0.789 64 P CB 0.494 32.297 31.700 0.172 0.000 0.951 65 N N 1.080 119.838 118.700 0.097 0.000 2.289 65 N HA -0.139 4.605 4.740 0.008 0.000 0.184 65 N C 0.713 176.266 175.510 0.072 0.000 1.016 65 N CA 1.232 54.324 53.050 0.070 0.000 0.872 65 N CB -0.586 37.924 38.487 0.038 0.000 0.973 65 N HN 0.562 nan 8.380 nan 0.000 0.433 66 D N -1.184 119.270 120.400 0.090 0.000 2.336 66 D HA -0.080 4.565 4.640 0.008 0.000 0.229 66 D C -0.332 175.880 176.300 -0.146 0.000 1.061 66 D CA 0.001 53.986 54.000 -0.025 0.000 0.875 66 D CB -0.645 40.113 40.800 -0.070 0.000 0.904 66 D HN 0.164 nan 8.370 nan 0.000 0.525 67 Y N 0.498 120.779 120.300 -0.032 0.000 2.387 67 Y HA 0.411 4.966 4.550 0.008 0.000 0.336 67 Y C 0.557 176.424 175.900 -0.055 0.000 1.067 67 Y CA -1.114 56.959 58.100 -0.045 0.000 1.114 67 Y CB 1.493 39.925 38.460 -0.046 0.000 1.208 67 Y HN -0.181 nan 8.280 nan 0.000 0.458 68 Q N 2.333 122.164 119.800 0.052 0.000 2.266 68 Q HA 0.674 5.018 4.340 0.008 0.000 0.261 68 Q C -1.604 174.378 176.000 -0.030 0.000 0.985 68 Q CA -0.644 55.159 55.803 -0.001 0.000 0.873 68 Q CB 1.197 29.921 28.738 -0.024 0.000 1.306 68 Q HN 0.712 nan 8.270 nan 0.000 0.447 69 I N 4.369 124.874 120.570 -0.108 0.000 2.330 69 I HA 0.311 4.486 4.170 0.008 0.000 0.289 69 I C -0.839 175.060 176.117 -0.363 0.000 1.001 69 I CA -0.423 60.751 61.300 -0.210 0.000 1.193 69 I CB 1.009 38.857 38.000 -0.252 0.000 1.345 69 I HN 0.463 nan 8.210 nan 0.000 0.461 70 L N 6.120 127.175 121.223 -0.280 0.000 2.334 70 L HA 0.581 4.926 4.340 0.008 0.000 0.273 70 L C -0.967 175.767 176.870 -0.228 0.000 1.013 70 L CA -0.575 54.119 54.840 -0.243 0.000 0.816 70 L CB 1.550 43.591 42.059 -0.030 0.000 1.278 70 L HN 0.436 nan 8.230 nan 0.000 0.431 71 F N 3.371 123.327 119.950 0.008 0.000 2.382 71 F HA 0.546 5.078 4.527 0.009 0.000 0.361 71 F C -0.136 175.655 175.800 -0.015 0.000 1.109 71 F CA -0.708 57.287 58.000 -0.007 0.000 1.031 71 F CB 1.300 40.300 39.000 0.001 0.000 1.234 71 F HN 0.148 nan 8.300 nan 0.000 0.445 72 L N 2.744 124.035 121.223 0.114 0.000 2.303 72 L HA 0.522 4.867 4.340 0.008 0.000 0.266 72 L C -0.395 176.464 176.870 -0.018 0.000 1.011 72 L CA -1.100 53.714 54.840 -0.044 0.000 0.818 72 L CB 2.150 44.118 42.059 -0.153 0.000 1.326 72 L HN 0.542 nan 8.230 nan 0.000 0.435 73 Q N -0.327 119.445 119.800 -0.047 0.000 2.180 73 Q HA 0.520 4.865 4.340 0.008 0.000 0.241 73 Q C 0.568 176.532 176.000 -0.060 0.000 0.970 73 Q CA 0.126 55.907 55.803 -0.037 0.000 0.919 73 Q CB 1.569 30.294 28.738 -0.022 0.000 1.222 73 Q HN 0.908 nan 8.270 nan 0.000 0.482 74 G N -0.563 108.203 108.800 -0.056 0.000 2.195 74 G HA2 -0.067 3.898 3.960 0.008 0.000 0.224 74 G HA3 -0.067 3.898 3.960 0.008 0.000 0.224 74 G C 0.424 175.267 174.900 -0.094 0.000 0.990 74 G CA -0.107 44.953 45.100 -0.067 0.000 0.639 74 G HN 1.300 nan 8.290 nan 0.000 0.514 75 G N -0.957 107.784 108.800 -0.097 0.000 2.795 75 G HA2 0.330 4.295 3.960 0.008 0.000 0.664 75 G HA3 0.330 4.295 3.960 0.008 0.000 0.664 75 G C 1.116 175.906 174.900 -0.184 0.000 1.381 75 G CA 0.958 45.981 45.100 -0.128 0.000 0.853 75 G HN 1.876 nan 8.290 nan 0.000 0.545 76 A N -0.286 122.403 122.820 -0.218 0.000 2.024 76 A HA 0.136 4.460 4.320 0.008 0.000 0.220 76 A C 2.772 179.933 177.584 -0.705 0.000 1.164 76 A CA 2.866 54.745 52.037 -0.262 0.000 0.643 76 A CB -0.631 18.253 19.000 -0.194 0.000 0.806 76 A HN 1.598 nan 8.150 nan 0.000 0.451 77 S N -0.665 114.635 115.700 -0.668 0.000 2.383 77 S HA -0.154 4.321 4.470 0.008 0.000 0.229 77 S C 1.788 176.137 174.600 -0.418 0.000 1.030 77 S CA 1.487 59.245 58.200 -0.738 0.000 1.002 77 S CB -0.351 62.719 63.200 -0.217 0.000 0.829 77 S HN 0.531 nan 8.310 nan 0.000 0.467 78 L N 1.694 122.758 121.223 -0.265 0.000 2.217 78 L HA 0.005 4.349 4.340 0.008 0.000 0.211 78 L C 2.122 178.887 176.870 -0.175 0.000 1.107 78 L CA 1.488 56.234 54.840 -0.156 0.000 0.783 78 L CB -0.547 41.439 42.059 -0.122 0.000 0.919 78 L HN 0.110 nan 8.230 nan 0.000 0.442 79 Q N -0.597 119.025 119.800 -0.297 0.000 2.170 79 Q HA -0.160 4.185 4.340 0.008 0.000 0.203 79 Q C 2.266 178.161 176.000 -0.175 0.000 0.976 79 Q CA 1.723 57.302 55.803 -0.373 0.000 0.858 79 Q CB -0.515 27.704 28.738 -0.864 0.000 0.907 79 Q HN 0.620 nan 8.270 nan 0.000 0.433 80 F N -0.204 119.676 119.950 -0.117 0.000 2.154 80 F HA -0.246 4.286 4.527 0.008 0.000 0.301 80 F C 2.482 178.280 175.800 -0.003 0.000 1.087 80 F CA 1.138 59.139 58.000 0.003 0.000 1.274 80 F CB -0.044 39.005 39.000 0.082 0.000 1.009 80 F HN 0.141 nan 8.300 nan 0.000 0.485 81 T N -0.827 113.820 114.554 0.154 0.000 3.039 81 T HA -0.005 4.350 4.350 0.008 0.000 0.250 81 T C 1.794 176.515 174.700 0.035 0.000 1.052 81 T CA 0.128 62.283 62.100 0.091 0.000 1.125 81 T CB -0.023 68.885 68.868 0.068 0.000 0.908 81 T HN 0.144 nan 8.240 nan 0.000 0.473 82 M N 0.674 120.256 119.600 -0.031 0.000 2.117 82 M HA -0.012 4.473 4.480 0.008 0.000 0.262 82 M C 1.996 178.299 176.300 0.004 0.000 1.065 82 M CA 1.392 56.628 55.300 -0.107 0.000 1.114 82 M CB -0.184 32.266 32.600 -0.250 0.000 1.361 82 M HN 0.363 nan 8.290 nan 0.000 0.408 83 L N 1.493 122.765 121.223 0.082 0.000 1.955 83 L HA -0.089 4.256 4.340 0.008 0.000 0.213 83 L C -0.997 175.937 176.870 0.106 0.000 1.072 83 L CA 2.247 57.157 54.840 0.117 0.000 0.755 83 L CB -2.046 39.975 42.059 -0.063 0.000 0.888 83 L HN 0.121 nan 8.230 nan 0.000 0.432 84 P HA -0.180 nan 4.420 nan 0.000 0.220 84 P C 1.994 179.397 177.300 0.172 0.000 1.148 84 P CA 1.741 64.998 63.100 0.262 0.000 0.803 84 P CB -0.229 31.643 31.700 0.288 0.000 0.782 85 M N -0.769 118.894 119.600 0.106 0.000 2.202 85 M HA -0.135 4.350 4.480 0.008 0.000 0.262 85 M C 1.872 178.211 176.300 0.065 0.000 1.063 85 M CA 1.605 56.941 55.300 0.060 0.000 1.097 85 M CB -0.550 32.052 32.600 0.004 0.000 1.382 85 M HN 0.025 nan 8.290 nan 0.000 0.413 86 N N -0.542 118.218 118.700 0.100 0.000 2.402 86 N HA 0.072 4.817 4.740 0.008 0.000 0.174 86 N C 1.429 177.026 175.510 0.144 0.000 1.027 86 N CA 0.937 54.066 53.050 0.131 0.000 0.891 86 N CB 0.573 39.219 38.487 0.266 0.000 1.016 86 N HN 0.340 nan 8.380 nan 0.000 0.439 87 L N 0.300 121.630 121.223 0.179 0.000 2.781 87 L HA 0.220 4.565 4.340 0.008 0.000 0.245 87 L C -0.014 176.987 176.870 0.219 0.000 1.118 87 L CA -0.038 54.919 54.840 0.195 0.000 0.918 87 L CB 0.690 42.884 42.059 0.226 0.000 1.246 87 L HN -0.004 nan 8.230 nan 0.000 0.526 88 L N 2.176 123.539 121.223 0.233 0.000 2.466 88 L HA 0.215 4.560 4.340 0.008 0.000 0.248 88 L C 0.730 177.658 176.870 0.097 0.000 1.240 88 L CA -0.024 54.921 54.840 0.175 0.000 1.180 88 L CB -0.371 41.823 42.059 0.224 0.000 1.413 88 L HN 0.070 nan 8.230 nan 0.000 0.406 89 T N -0.208 114.388 114.554 0.070 0.000 2.849 89 T HA 0.289 4.643 4.350 0.008 0.000 0.284 89 T C 0.302 175.020 174.700 0.030 0.000 1.004 89 T CA -0.815 61.313 62.100 0.046 0.000 1.021 89 T CB 0.818 69.708 68.868 0.038 0.000 1.013 89 T HN 0.484 nan 8.240 nan 0.000 0.527 90 K N 0.241 120.655 120.400 0.024 0.000 2.485 90 K HA 0.360 4.684 4.320 0.008 0.000 0.277 90 K C 1.446 178.053 176.600 0.011 0.000 0.990 90 K CA 1.118 57.416 56.287 0.018 0.000 0.994 90 K CB -0.605 31.904 32.500 0.015 0.000 0.906 90 K HN 1.191 nan 8.250 nan 0.000 0.488 91 G N 1.988 110.792 108.800 0.008 0.000 2.168 91 G HA2 -0.290 3.675 3.960 0.008 0.000 0.263 91 G HA3 -0.290 3.675 3.960 0.008 0.000 0.263 91 G C 0.119 175.016 174.900 -0.006 0.000 0.977 91 G CA 0.849 45.950 45.100 0.002 0.000 0.659 91 G HN 1.050 nan 8.290 nan 0.000 0.533 92 T N -1.890 112.659 114.554 -0.007 0.000 2.927 92 T HA 0.805 5.160 4.350 0.008 0.000 0.286 92 T C -0.171 174.504 174.700 -0.042 0.000 1.040 92 T CA -0.940 61.144 62.100 -0.027 0.000 1.010 92 T CB 2.679 71.530 68.868 -0.028 0.000 1.177 92 T HN 0.549 nan 8.240 nan 0.000 0.546 93 I N 0.513 121.031 120.570 -0.087 0.000 2.465 93 I HA 0.531 4.706 4.170 0.008 0.000 0.291 93 I C 0.579 176.553 176.117 -0.238 0.000 1.014 93 I CA -1.173 60.070 61.300 -0.094 0.000 1.093 93 I CB 2.126 40.083 38.000 -0.073 0.000 1.267 93 I HN 0.969 nan 8.210 nan 0.000 0.431 94 G N 3.883 112.566 108.800 -0.196 0.000 2.393 94 G HA2 0.196 4.161 3.960 0.008 0.000 0.311 94 G HA3 0.196 4.161 3.960 0.008 0.000 0.311 94 G C -0.531 174.329 174.900 -0.066 0.000 1.067 94 G CA -0.247 44.574 45.100 -0.465 0.000 1.000 94 G HN 0.509 nan 8.290 nan 0.000 0.422 95 N N 1.452 119.990 118.700 -0.270 0.000 2.419 95 N HA 0.418 5.163 4.740 0.008 0.000 0.277 95 N C -1.392 174.073 175.510 -0.074 0.000 1.006 95 N CA -0.469 52.603 53.050 0.038 0.000 0.923 95 N CB 0.908 39.430 38.487 0.057 0.000 1.140 95 N HN 0.366 nan 8.380 nan 0.000 0.488 96 Y N 1.055 121.414 120.300 0.099 0.000 2.393 96 Y HA 0.414 4.969 4.550 0.008 0.000 0.341 96 Y C 0.006 175.923 175.900 0.028 0.000 0.988 96 Y CA -0.872 57.297 58.100 0.115 0.000 1.078 96 Y CB 1.636 40.141 38.460 0.074 0.000 1.203 96 Y HN 0.107 nan 8.280 nan 0.000 0.453 97 V N 5.413 125.409 119.914 0.137 0.000 2.350 97 V HA 0.270 4.395 4.120 0.008 0.000 0.276 97 V C -0.208 175.996 176.094 0.183 0.000 1.028 97 V CA -0.755 61.569 62.300 0.040 0.000 0.860 97 V CB 0.690 32.465 31.823 -0.080 0.000 0.990 97 V HN 0.560 nan 8.190 nan 0.000 0.453 98 L N 5.605 126.927 121.223 0.164 0.000 2.261 98 L HA 0.397 4.742 4.340 0.008 0.000 0.289 98 L C 0.980 177.970 176.870 0.201 0.000 1.059 98 L CA -0.034 54.914 54.840 0.182 0.000 0.816 98 L CB 1.100 43.292 42.059 0.221 0.000 1.191 98 L HN 0.831 nan 8.230 nan 0.000 0.431 99 T N -1.682 112.881 114.554 0.014 0.000 3.170 99 T HA 0.530 4.885 4.350 0.008 0.000 0.288 99 T C 0.421 174.760 174.700 -0.602 0.000 0.992 99 T CA 0.038 62.107 62.100 -0.051 0.000 0.909 99 T CB 0.829 69.793 68.868 0.159 0.000 1.133 99 T HN 0.742 nan 8.240 nan 0.000 0.530 100 G N 0.770 108.856 108.800 -1.190 0.000 2.321 100 G HA2 0.376 4.341 3.960 0.008 0.000 0.296 100 G HA3 0.376 4.341 3.960 0.008 0.000 0.296 100 G C 0.430 174.926 174.900 -0.674 0.000 1.287 100 G CA 0.125 44.445 45.100 -1.299 0.000 0.846 100 G HN 0.149 nan 8.290 nan 0.000 0.508 101 S N -1.311 114.271 115.700 -0.197 0.000 2.402 101 S HA -0.062 4.413 4.470 0.008 0.000 0.229 101 S C 1.803 176.280 174.600 -0.205 0.000 1.021 101 S CA 2.029 60.138 58.200 -0.151 0.000 0.974 101 S CB -0.393 62.713 63.200 -0.157 0.000 0.800 101 S HN 0.571 nan 8.310 nan 0.000 0.484 102 W N 1.785 123.083 121.300 -0.002 0.000 2.402 102 W HA 0.028 4.693 4.660 0.008 0.000 0.286 102 W C 2.900 179.374 176.519 -0.075 0.000 1.221 102 W CA 0.698 58.064 57.345 0.034 0.000 1.257 102 W CB -0.420 29.128 29.460 0.146 0.000 1.120 102 W HN 0.270 nan 8.180 nan 0.000 0.551 103 S N 0.335 116.121 115.700 0.143 0.000 2.370 103 S HA -0.225 4.250 4.470 0.008 0.000 0.226 103 S C 1.428 175.996 174.600 -0.053 0.000 1.033 103 S CA 1.639 59.898 58.200 0.098 0.000 1.011 103 S CB -0.442 62.811 63.200 0.089 0.000 0.852 103 S HN 0.380 nan 8.310 nan 0.000 0.457 104 E N 0.763 120.916 120.200 -0.079 0.000 2.077 104 E HA -0.124 4.230 4.350 0.008 0.000 0.193 104 E C 2.038 178.529 176.600 -0.181 0.000 0.989 104 E CA 0.789 57.126 56.400 -0.105 0.000 0.800 104 E CB 0.006 29.678 29.700 -0.047 0.000 0.746 104 E HN 0.215 nan 8.360 nan 0.000 0.452 105 K N 0.374 120.661 120.400 -0.189 0.000 2.097 105 K HA -0.035 4.290 4.320 0.008 0.000 0.205 105 K C 2.015 178.317 176.600 -0.496 0.000 1.050 105 K CA 1.002 57.170 56.287 -0.199 0.000 0.938 105 K CB -0.341 32.189 32.500 0.049 0.000 0.718 105 K HN 0.086 nan 8.250 nan 0.000 0.442 106 A N 1.528 123.817 122.820 -0.886 0.000 1.873 106 A HA -0.130 4.195 4.320 0.008 0.000 0.215 106 A C 2.226 179.450 177.584 -0.599 0.000 1.186 106 A CA 1.255 52.723 52.037 -0.948 0.000 0.616 106 A CB -0.584 17.933 19.000 -0.805 0.000 0.823 106 A HN 0.238 nan 8.150 nan 0.000 0.442 107 L N 0.170 120.947 121.223 -0.743 0.000 2.046 107 L HA -0.151 4.194 4.340 0.008 0.000 0.208 107 L C 2.249 178.816 176.870 -0.505 0.000 1.077 107 L CA 2.773 56.986 54.840 -1.044 0.000 0.747 107 L CB -0.574 41.021 42.059 -0.773 0.000 0.896 107 L HN 0.459 nan 8.230 nan 0.000 0.432 108 K N -0.716 119.502 120.400 -0.303 0.000 2.074 108 K HA -0.220 4.105 4.320 0.008 0.000 0.209 108 K C 1.937 178.477 176.600 -0.100 0.000 1.048 108 K CA 1.753 57.946 56.287 -0.157 0.000 0.926 108 K CB -0.093 32.350 32.500 -0.094 0.000 0.713 108 K HN 0.367 nan 8.250 nan 0.000 0.444 109 E N 0.158 120.312 120.200 -0.076 0.000 2.150 109 E HA -0.140 4.215 4.350 0.008 0.000 0.193 109 E C 1.901 178.511 176.600 0.015 0.000 0.985 109 E CA 1.148 57.558 56.400 0.016 0.000 0.814 109 E CB -0.223 29.543 29.700 0.111 0.000 0.752 109 E HN 0.469 nan 8.360 nan 0.000 0.466 110 A N 1.303 124.105 122.820 -0.030 0.000 1.969 110 A HA -0.150 4.175 4.320 0.008 0.000 0.218 110 A C 2.021 179.621 177.584 0.026 0.000 1.169 110 A CA 1.239 53.314 52.037 0.063 0.000 0.635 110 A CB -0.266 18.831 19.000 0.161 0.000 0.810 110 A HN 0.101 nan 8.150 nan 0.000 0.445 111 K N -0.284 120.092 120.400 -0.041 0.000 2.283 111 K HA 0.047 4.372 4.320 0.008 0.000 0.202 111 K C 1.614 178.216 176.600 0.003 0.000 1.048 111 K CA 0.732 57.006 56.287 -0.022 0.000 0.948 111 K CB -0.285 32.184 32.500 -0.052 0.000 0.742 111 K HN 0.466 nan 8.250 nan 0.000 0.458 112 L N 0.401 121.630 121.223 0.010 0.000 2.083 112 L HA -0.171 4.173 4.340 0.008 0.000 0.209 112 L C 1.796 178.683 176.870 0.029 0.000 1.083 112 L CA 1.225 56.077 54.840 0.020 0.000 0.752 112 L CB -0.139 41.936 42.059 0.026 0.000 0.899 112 L HN 0.217 nan 8.230 nan 0.000 0.433 113 L N -1.788 119.462 121.223 0.044 0.000 2.616 113 L HA 0.358 4.703 4.340 0.008 0.000 0.229 113 L C 0.771 177.674 176.870 0.055 0.000 1.110 113 L CA 0.049 54.921 54.840 0.053 0.000 0.884 113 L CB 0.288 42.391 42.059 0.073 0.000 1.115 113 L HN 0.248 nan 8.230 nan 0.000 0.481 114 G N -0.314 108.517 108.800 0.052 0.000 2.340 114 G HA2 0.095 4.060 3.960 0.008 0.000 0.299 114 G HA3 0.095 4.060 3.960 0.008 0.000 0.299 114 G C -1.776 173.150 174.900 0.043 0.000 1.291 114 G CA -0.676 44.453 45.100 0.048 0.000 0.841 114 G HN -0.101 nan 8.290 nan 0.000 0.500 115 E N -0.024 120.198 120.200 0.037 0.000 2.360 115 E HA 0.498 4.853 4.350 0.008 0.000 0.269 115 E C 0.488 177.120 176.600 0.053 0.000 1.022 115 E CA 0.183 56.605 56.400 0.037 0.000 0.887 115 E CB 0.567 30.282 29.700 0.026 0.000 0.990 115 E HN 0.667 nan 8.360 nan 0.000 0.426 116 T N 1.293 115.890 114.554 0.071 0.000 2.910 116 T HA 0.449 4.804 4.350 0.008 0.000 0.287 116 T C -0.691 174.117 174.700 0.180 0.000 1.050 116 T CA -0.895 61.275 62.100 0.117 0.000 1.011 116 T CB 1.645 70.549 68.868 0.059 0.000 1.195 116 T HN 0.581 nan 8.240 nan 0.000 0.540 117 H N -0.702 118.419 119.070 0.086 0.000 3.094 117 H HA 0.390 4.950 4.556 0.008 0.000 0.346 117 H C -1.821 173.570 175.328 0.104 0.000 1.238 117 H CA -0.738 55.351 56.048 0.067 0.000 1.209 117 H CB 1.831 31.619 29.762 0.044 0.000 1.911 117 H HN 0.667 nan 8.280 nan 0.000 0.540 118 I N 3.810 124.121 120.570 -0.431 0.000 2.330 118 I HA 0.207 4.382 4.170 0.008 0.000 0.286 118 I C 1.282 177.238 176.117 -0.269 0.000 1.025 118 I CA -0.195 60.976 61.300 -0.215 0.000 1.197 118 I CB 1.489 39.401 38.000 -0.147 0.000 1.358 118 I HN 0.670 nan 8.210 nan 0.000 0.467 119 A N 5.349 128.145 122.820 -0.040 0.000 2.015 119 A HA 0.443 4.768 4.320 0.008 0.000 0.219 119 A C 1.040 178.586 177.584 -0.063 0.000 1.163 119 A CA 1.334 53.369 52.037 -0.004 0.000 0.646 119 A CB 0.007 18.935 19.000 -0.119 0.000 0.806 119 A HN 0.835 nan 8.150 nan 0.000 0.448 120 A N -2.538 120.223 122.820 -0.097 0.000 2.569 120 A HA 0.587 4.912 4.320 0.008 0.000 0.292 120 A C -0.575 177.028 177.584 0.032 0.000 1.032 120 A CA 0.371 52.405 52.037 -0.005 0.000 0.669 120 A CB 0.016 19.058 19.000 0.070 0.000 1.290 120 A HN 1.272 nan 8.150 nan 0.000 0.422 121 S N -0.474 115.274 115.700 0.080 0.000 2.548 121 S HA 0.617 5.092 4.470 0.008 0.000 0.278 121 S C 0.027 174.682 174.600 0.091 0.000 1.150 121 S CA 0.516 58.785 58.200 0.115 0.000 0.907 121 S CB 1.258 64.501 63.200 0.071 0.000 1.108 121 S HN 1.973 nan 8.310 nan 0.000 0.459 122 T N 1.337 115.980 114.554 0.148 0.000 3.176 122 T HA 0.278 4.632 4.350 0.008 0.000 0.263 122 T C 1.272 175.787 174.700 -0.307 0.000 1.021 122 T CA -0.260 61.850 62.100 0.016 0.000 0.905 122 T CB 0.111 69.045 68.868 0.109 0.000 1.057 122 T HN 0.622 nan 8.240 nan 0.000 0.558 123 K N 1.660 121.745 120.400 -0.526 0.000 2.103 123 K HA -0.050 4.275 4.320 0.008 0.000 0.207 123 K C 2.417 178.672 176.600 -0.575 0.000 1.048 123 K CA 1.340 56.955 56.287 -1.119 0.000 0.930 123 K CB -0.587 31.574 32.500 -0.565 0.000 0.716 123 K HN 0.409 nan 8.250 nan 0.000 0.444 124 A N 1.328 123.970 122.820 -0.296 0.000 1.978 124 A HA -0.185 4.140 4.320 0.008 0.000 0.220 124 A C 1.678 179.164 177.584 -0.162 0.000 1.170 124 A CA 1.657 53.586 52.037 -0.180 0.000 0.636 124 A CB -0.523 18.413 19.000 -0.107 0.000 0.810 124 A HN 0.567 nan 8.150 nan 0.000 0.448 125 N N 0.073 118.665 118.700 -0.179 0.000 2.376 125 N HA 0.053 4.798 4.740 0.008 0.000 0.249 125 N C -0.564 174.877 175.510 -0.114 0.000 1.140 125 N CA 0.647 53.629 53.050 -0.114 0.000 0.870 125 N CB -0.055 38.384 38.487 -0.080 0.000 1.124 125 N HN 0.207 nan 8.380 nan 0.000 0.505 126 S N 0.397 115.975 115.700 -0.204 0.000 3.549 126 S HA -0.228 4.247 4.470 0.008 0.000 0.366 126 S C -0.246 174.317 174.600 -0.061 0.000 1.012 126 S CA 0.574 58.683 58.200 -0.152 0.000 1.141 126 S CB -2.468 60.807 63.200 0.125 0.000 0.910 126 S HN 0.685 nan 8.310 nan 0.000 0.471 127 Y N -1.667 118.560 120.300 -0.121 0.000 3.125 127 Y HA -0.306 4.248 4.550 0.008 0.000 0.200 127 Y C 1.336 177.277 175.900 0.069 0.000 1.373 127 Y CA 0.719 58.724 58.100 -0.159 0.000 1.180 127 Y CB -1.938 36.142 38.460 -0.633 0.000 1.381 127 Y HN 0.576 nan 8.280 nan 0.000 0.501 128 Q N -0.049 119.812 119.800 0.102 0.000 2.392 128 Q HA 0.084 4.429 4.340 0.008 0.000 0.203 128 Q C 0.691 176.698 176.000 0.012 0.000 0.917 128 Q CA 0.700 56.475 55.803 -0.047 0.000 0.939 128 Q CB 0.592 29.218 28.738 -0.188 0.000 1.063 128 Q HN 0.525 nan 8.270 nan 0.000 0.516 129 S N -1.208 114.527 115.700 0.058 0.000 2.615 129 S HA 0.458 4.932 4.470 0.008 0.000 0.269 129 S C -0.929 173.688 174.600 0.029 0.000 1.161 129 S CA -1.024 57.189 58.200 0.022 0.000 0.817 129 S CB 1.140 64.327 63.200 -0.022 0.000 1.131 129 S HN -0.019 nan 8.310 nan 0.000 0.467 130 I N 2.701 123.242 120.570 -0.049 0.000 2.395 130 I HA 0.407 4.582 4.170 0.008 0.000 0.289 130 I C -1.897 174.194 176.117 -0.044 0.000 1.023 130 I CA -2.167 59.062 61.300 -0.117 0.000 1.350 130 I CB 0.038 37.824 38.000 -0.356 0.000 1.409 130 I HN 0.570 nan 8.210 nan 0.000 0.507 131 P HA 0.043 nan 4.420 nan 0.000 0.272 131 P C -0.285 177.090 177.300 0.125 0.000 1.223 131 P CA -0.306 62.890 63.100 0.161 0.000 0.784 131 P CB 0.987 32.883 31.700 0.326 0.000 0.923 132 D N 1.383 121.797 120.400 0.022 0.000 2.417 132 D HA 0.010 4.655 4.640 0.008 0.000 0.250 132 D C 1.099 177.350 176.300 -0.082 0.000 1.166 132 D CA -0.042 53.874 54.000 -0.140 0.000 0.881 132 D CB 0.311 41.044 40.800 -0.112 0.000 1.164 132 D HN 0.295 nan 8.370 nan 0.000 0.467 133 F N 1.315 121.025 119.950 -0.400 0.000 2.202 133 F HA -0.243 4.288 4.527 0.008 0.000 0.301 133 F C 2.739 178.181 175.800 -0.597 0.000 1.082 133 F CA 0.536 57.950 58.000 -0.978 0.000 1.313 133 F CB -0.104 38.492 39.000 -0.674 0.000 1.024 133 F HN 0.385 nan 8.300 nan 0.000 0.495 134 S N -0.066 115.575 115.700 -0.098 0.000 2.469 134 S HA -0.164 4.310 4.470 0.008 0.000 0.238 134 S C 1.342 175.969 174.600 0.044 0.000 0.998 134 S CA 1.002 59.185 58.200 -0.027 0.000 0.957 134 S CB -0.418 62.764 63.200 -0.029 0.000 0.764 134 S HN 0.448 nan 8.310 nan 0.000 0.514 135 E N 0.322 120.584 120.200 0.105 0.000 2.478 135 E HA 0.139 4.494 4.350 0.008 0.000 0.194 135 E C -0.516 176.312 176.600 0.380 0.000 1.045 135 E CA -0.115 56.411 56.400 0.209 0.000 0.868 135 E CB -0.096 29.738 29.700 0.224 0.000 0.885 135 E HN 0.503 nan 8.360 nan 0.000 0.505 136 F N 2.265 122.289 119.950 0.125 0.000 2.529 136 F HA 0.035 4.567 4.527 0.008 0.000 0.365 136 F C 1.163 177.019 175.800 0.094 0.000 1.102 136 F CA -0.398 57.676 58.000 0.123 0.000 1.271 136 F CB 0.330 39.404 39.000 0.124 0.000 1.120 136 F HN -0.184 nan 8.300 nan 0.000 0.579 137 Q N 5.132 125.091 119.800 0.264 0.000 2.430 137 Q HA 0.430 4.775 4.340 0.008 0.000 0.245 137 Q C -0.501 175.617 176.000 0.196 0.000 1.021 137 Q CA -0.188 55.746 55.803 0.219 0.000 0.867 137 Q CB 1.501 30.401 28.738 0.270 0.000 1.210 137 Q HN 0.560 nan 8.270 nan 0.000 0.487 138 L N 1.726 122.983 121.223 0.057 0.000 2.334 138 L HA 0.561 4.906 4.340 0.008 0.000 0.270 138 L C 0.249 177.044 176.870 -0.124 0.000 1.018 138 L CA -0.893 53.912 54.840 -0.058 0.000 0.811 138 L CB 1.236 43.122 42.059 -0.289 0.000 1.271 138 L HN 0.385 nan 8.230 nan 0.000 0.443 139 N N 0.490 119.143 118.700 -0.079 0.000 2.238 139 N HA 0.124 4.869 4.740 0.008 0.000 0.302 139 N C 0.234 175.781 175.510 0.063 0.000 1.072 139 N CA -0.549 52.457 53.050 -0.073 0.000 0.792 139 N CB 2.630 41.017 38.487 -0.167 0.000 1.425 139 N HN 0.668 nan 8.380 nan 0.000 0.478 140 E N 1.205 121.423 120.200 0.030 0.000 2.130 140 E HA -0.217 4.137 4.350 0.008 0.000 0.196 140 E C 0.581 177.220 176.600 0.064 0.000 0.998 140 E CA 1.467 57.908 56.400 0.068 0.000 0.806 140 E CB 0.137 29.851 29.700 0.023 0.000 0.738 140 E HN 0.543 nan 8.360 nan 0.000 0.459 141 N N 0.801 119.512 118.700 0.018 0.000 2.295 141 N HA -0.011 4.734 4.740 0.008 0.000 0.221 141 N C -0.853 174.635 175.510 -0.036 0.000 1.129 141 N CA -0.029 53.015 53.050 -0.010 0.000 0.836 141 N CB 0.035 38.510 38.487 -0.020 0.000 1.040 141 N HN -0.051 nan 8.380 nan 0.000 0.494 142 D N 0.985 121.376 120.400 -0.014 0.000 2.458 142 D HA 0.097 4.742 4.640 0.008 0.000 0.243 142 D C 1.011 177.219 176.300 -0.154 0.000 1.146 142 D CA 0.073 54.020 54.000 -0.089 0.000 0.877 142 D CB 1.466 42.264 40.800 -0.003 0.000 1.176 142 D HN 0.341 nan 8.370 nan 0.000 0.461 143 A N 3.166 125.854 122.820 -0.219 0.000 2.016 143 A HA 0.028 4.352 4.320 0.008 0.000 0.217 143 A C 0.163 177.725 177.584 -0.038 0.000 1.162 143 A CA 1.089 53.047 52.037 -0.133 0.000 0.662 143 A CB -0.311 18.632 19.000 -0.095 0.000 0.812 143 A HN 0.680 nan 8.150 nan 0.000 0.450 144 Y N -5.205 115.049 120.300 -0.076 0.000 2.732 144 Y HA 0.603 5.158 4.550 0.008 0.000 0.342 144 Y C -1.437 174.406 175.900 -0.095 0.000 1.203 144 Y CA -1.848 56.194 58.100 -0.096 0.000 1.092 144 Y CB 0.535 38.964 38.460 -0.053 0.000 1.345 144 Y HN 0.001 nan 8.280 nan 0.000 0.458 145 L N 3.337 124.643 121.223 0.138 0.000 2.305 145 L HA 0.495 4.839 4.340 0.008 0.000 0.284 145 L C -1.049 175.893 176.870 0.119 0.000 1.013 145 L CA -0.366 54.530 54.840 0.093 0.000 0.819 145 L CB 0.933 43.061 42.059 0.115 0.000 1.227 145 L HN 0.886 nan 8.230 nan 0.000 0.417 146 H N 6.296 125.303 119.070 -0.105 0.000 2.467 146 H HA 0.556 5.117 4.556 0.008 0.000 0.326 146 H C -0.909 174.386 175.328 -0.054 0.000 1.094 146 H CA -0.441 55.520 56.048 -0.145 0.000 1.253 146 H CB 1.437 30.932 29.762 -0.445 0.000 1.439 146 H HN 0.778 nan 8.280 nan 0.000 0.479 147 I N 1.126 121.526 120.570 -0.283 0.000 3.002 147 I HA 0.476 4.651 4.170 0.008 0.000 0.310 147 I C -0.925 175.065 176.117 -0.212 0.000 1.087 147 I CA -0.909 60.331 61.300 -0.101 0.000 1.017 147 I CB 2.552 40.442 38.000 -0.184 0.000 1.226 147 I HN 0.319 nan 8.210 nan 0.000 0.443 148 T N 1.792 116.376 114.554 0.050 0.000 2.788 148 T HA 0.211 4.566 4.350 0.008 0.000 0.296 148 T C 1.058 175.837 174.700 0.133 0.000 1.009 148 T CA -0.234 61.912 62.100 0.077 0.000 0.949 148 T CB 1.337 70.338 68.868 0.222 0.000 0.946 148 T HN 0.823 nan 8.240 nan 0.000 0.453 149 S N 3.169 118.885 115.700 0.027 0.000 2.383 149 S HA -0.051 4.423 4.470 0.008 0.000 0.227 149 S C 0.737 175.551 174.600 0.357 0.000 1.026 149 S CA 0.441 58.762 58.200 0.201 0.000 0.981 149 S CB -0.239 63.071 63.200 0.184 0.000 0.818 149 S HN 0.642 nan 8.310 nan 0.000 0.472 150 N N 1.242 120.086 118.700 0.240 0.000 2.410 150 N HA 0.293 5.038 4.740 0.008 0.000 0.287 150 N C -2.044 173.613 175.510 0.245 0.000 1.044 150 N CA -0.504 52.695 53.050 0.248 0.000 0.881 150 N CB 1.061 39.672 38.487 0.207 0.000 1.405 150 N HN 0.090 nan 8.380 nan 0.000 0.490 151 N N 2.725 121.592 118.700 0.277 0.000 2.602 151 N HA 0.083 4.828 4.740 0.008 0.000 0.238 151 N C 0.335 176.040 175.510 0.324 0.000 1.084 151 N CA 0.006 53.238 53.050 0.304 0.000 0.952 151 N CB 1.057 39.700 38.487 0.261 0.000 1.244 151 N HN 0.611 nan 8.380 nan 0.000 0.512 152 T N 0.951 115.722 114.554 0.361 0.000 2.737 152 T HA -0.087 4.268 4.350 0.008 0.000 0.269 152 T C 1.893 176.737 174.700 0.240 0.000 1.040 152 T CA 1.056 63.352 62.100 0.326 0.000 1.142 152 T CB 0.172 69.258 68.868 0.363 0.000 0.861 152 T HN 0.451 nan 8.240 nan 0.000 0.456 153 I N -1.232 119.443 120.570 0.174 0.000 2.852 153 I HA 0.045 4.220 4.170 0.008 0.000 0.264 153 I C 1.561 177.488 176.117 -0.316 0.000 1.179 153 I CA 0.902 62.115 61.300 -0.145 0.000 1.480 153 I CB 0.009 37.731 38.000 -0.463 0.000 1.111 153 I HN 0.195 nan 8.210 nan 0.000 0.441 154 Y N 0.412 120.735 120.300 0.039 0.000 2.458 154 Y HA 0.286 4.841 4.550 0.008 0.000 0.254 154 Y C 1.784 177.782 175.900 0.163 0.000 1.120 154 Y CA 0.404 58.517 58.100 0.021 0.000 1.282 154 Y CB 0.556 39.077 38.460 0.101 0.000 1.109 154 Y HN 0.182 nan 8.280 nan 0.000 0.526 155 G N 1.500 110.473 108.800 0.288 0.000 2.160 155 G HA2 -0.265 3.700 3.960 0.008 0.000 0.244 155 G HA3 -0.265 3.700 3.960 0.008 0.000 0.244 155 G C 0.109 175.197 174.900 0.315 0.000 1.022 155 G CA 0.441 45.717 45.100 0.292 0.000 0.741 155 G HN 0.420 nan 8.290 nan 0.000 0.508 156 T N -3.249 111.484 114.554 0.298 0.000 2.932 156 T HA 0.789 5.144 4.350 0.008 0.000 0.289 156 T C -0.630 174.200 174.700 0.216 0.000 1.039 156 T CA -0.052 62.187 62.100 0.230 0.000 1.024 156 T CB 2.813 71.805 68.868 0.207 0.000 1.090 156 T HN 0.890 nan 8.240 nan 0.000 0.496 157 Q N 0.611 120.511 119.800 0.167 0.000 2.386 157 Q HA 0.339 4.684 4.340 0.008 0.000 0.274 157 Q C -1.845 174.254 176.000 0.166 0.000 1.011 157 Q CA -0.840 55.091 55.803 0.214 0.000 0.867 157 Q CB 1.775 30.633 28.738 0.201 0.000 1.409 157 Q HN 0.758 nan 8.270 nan 0.000 0.395 158 Y N 2.717 123.065 120.300 0.080 0.000 2.632 158 Y HA -0.068 4.487 4.550 0.008 0.000 0.329 158 Y C 1.373 177.173 175.900 -0.167 0.000 1.174 158 Y CA 0.498 58.582 58.100 -0.027 0.000 1.469 158 Y CB 0.758 39.151 38.460 -0.113 0.000 1.242 158 Y HN 0.623 nan 8.280 nan 0.000 0.540 159 Q N 2.265 122.040 119.800 -0.042 0.000 2.172 159 Q HA -0.045 4.300 4.340 0.008 0.000 0.200 159 Q C -0.131 175.788 176.000 -0.135 0.000 0.964 159 Q CA 1.006 56.764 55.803 -0.075 0.000 0.855 159 Q CB -0.154 28.535 28.738 -0.081 0.000 0.918 159 Q HN 0.844 nan 8.270 nan 0.000 0.444 160 N N -1.747 116.852 118.700 -0.168 0.000 3.039 160 N HA 0.467 5.212 4.740 0.008 0.000 0.257 160 N C -1.336 174.052 175.510 -0.204 0.000 1.497 160 N CA -0.677 52.251 53.050 -0.202 0.000 0.861 160 N CB 0.296 38.809 38.487 0.044 0.000 1.479 160 N HN -0.157 nan 8.380 nan 0.000 0.547 161 F N -0.777 119.344 119.950 0.286 0.000 2.522 161 F HA 0.650 5.182 4.527 0.008 0.000 0.324 161 F C -2.051 173.637 175.800 -0.186 0.000 1.077 161 F CA -1.892 56.145 58.000 0.061 0.000 0.944 161 F CB 2.123 41.084 39.000 -0.066 0.000 1.175 161 F HN 0.256 nan 8.300 nan 0.000 0.468 162 P HA 0.051 nan 4.420 nan 0.000 0.275 162 P C -0.885 176.300 177.300 -0.193 0.000 1.228 162 P CA -0.239 62.533 63.100 -0.547 0.000 0.786 162 P CB 0.797 32.019 31.700 -0.797 0.000 0.927 163 E N 2.538 122.683 120.200 -0.091 0.000 1.996 163 E HA 0.238 4.593 4.350 0.008 0.000 0.280 163 E C -0.265 176.321 176.600 -0.024 0.000 1.092 163 E CA -0.275 56.094 56.400 -0.053 0.000 0.862 163 E CB 0.244 29.936 29.700 -0.012 0.000 1.066 163 E HN 0.301 nan 8.360 nan 0.000 0.396 164 I N 3.233 123.790 120.570 -0.022 0.000 2.362 164 I HA 0.201 4.376 4.170 0.008 0.000 0.289 164 I C 0.811 176.969 176.117 0.068 0.000 0.994 164 I CA -0.413 60.930 61.300 0.072 0.000 1.158 164 I CB 1.136 39.185 38.000 0.083 0.000 1.315 164 I HN 0.285 nan 8.210 nan 0.000 0.451 165 N N 4.066 122.845 118.700 0.131 0.000 2.143 165 N HA -0.031 4.714 4.740 0.008 0.000 0.222 165 N C 1.262 176.835 175.510 0.105 0.000 1.264 165 N CA -0.007 53.089 53.050 0.077 0.000 0.897 165 N CB 0.405 38.922 38.487 0.051 0.000 1.092 165 N HN 0.640 nan 8.380 nan 0.000 0.516 166 H N 0.295 119.366 119.070 0.001 0.000 2.551 166 H HA 0.528 5.089 4.556 0.008 0.000 0.266 166 H C 0.057 175.385 175.328 0.000 0.000 0.964 166 H CA 0.165 56.213 56.048 0.000 0.000 1.180 166 H CB 0.453 30.217 29.762 0.003 0.000 1.408 166 H HN 0.076 nan 8.280 nan 0.000 0.563 167 A N 1.142 123.646 122.820 -0.527 0.000 2.590 167 A HA 0.437 4.762 4.320 0.008 0.000 0.294 167 A C -3.001 174.450 177.584 -0.222 0.000 1.046 167 A CA -1.299 50.458 52.037 -0.467 0.000 0.684 167 A CB 1.106 19.649 19.000 -0.762 0.000 1.279 167 A HN 0.070 nan 8.150 nan 0.000 0.415 168 P HA 0.311 nan 4.420 nan 0.000 0.268 168 P C -0.534 176.768 177.300 0.003 0.000 1.204 168 P CA -0.009 63.073 63.100 -0.031 0.000 0.768 168 P CB 0.615 32.316 31.700 0.000 0.000 0.842 169 L N 5.288 126.505 121.223 -0.009 0.000 2.331 169 L HA 0.301 4.645 4.340 0.008 0.000 0.278 169 L C -0.472 176.448 176.870 0.083 0.000 1.106 169 L CA 0.077 54.919 54.840 0.003 0.000 0.824 169 L CB -0.196 41.781 42.059 -0.138 0.000 1.142 169 L HN 0.186 nan 8.230 nan 0.000 0.443 170 I N 5.133 125.725 120.570 0.036 0.000 2.545 170 I HA 0.683 4.858 4.170 0.008 0.000 0.292 170 I C -0.195 175.779 176.117 -0.239 0.000 1.040 170 I CA -0.851 60.428 61.300 -0.035 0.000 1.068 170 I CB 1.183 39.150 38.000 -0.056 0.000 1.251 170 I HN 0.735 nan 8.210 nan 0.000 0.424 171 A N 3.865 126.483 122.820 -0.336 0.000 2.381 171 A HA 0.507 4.832 4.320 0.008 0.000 0.299 171 A C -0.859 176.260 177.584 -0.776 0.000 1.049 171 A CA -0.586 51.113 52.037 -0.563 0.000 0.715 171 A CB 1.139 19.778 19.000 -0.602 0.000 1.222 171 A HN 0.643 nan 8.150 nan 0.000 0.428 172 D N 3.217 123.113 120.400 -0.840 0.000 2.402 172 D HA 0.272 4.917 4.640 0.008 0.000 0.235 172 D C 0.360 176.362 176.300 -0.495 0.000 1.226 172 D CA 0.184 53.631 54.000 -0.922 0.000 0.918 172 D CB 0.210 40.802 40.800 -0.347 0.000 1.043 172 D HN 0.451 nan 8.370 nan 0.000 0.506 173 M N 2.327 121.630 119.600 -0.496 0.000 2.655 173 M HA 0.057 4.542 4.480 0.008 0.000 0.311 173 M C 1.580 177.742 176.300 -0.229 0.000 1.229 173 M CA -0.352 54.769 55.300 -0.298 0.000 0.972 173 M CB 0.414 32.817 32.600 -0.328 0.000 1.366 173 M HN 0.161 nan 8.290 nan 0.000 0.500 174 S N 1.252 116.800 115.700 -0.253 0.000 2.380 174 S HA -0.148 4.326 4.470 0.008 0.000 0.229 174 S C 1.761 176.227 174.600 -0.223 0.000 1.043 174 S CA 2.224 60.282 58.200 -0.237 0.000 1.038 174 S CB -0.150 62.873 63.200 -0.295 0.000 0.872 174 S HN 0.688 nan 8.310 nan 0.000 0.456 175 S N 0.591 116.204 115.700 -0.145 0.000 2.572 175 S HA 0.180 4.655 4.470 0.008 0.000 0.228 175 S C 0.284 174.905 174.600 0.036 0.000 0.963 175 S CA 0.167 58.312 58.200 -0.092 0.000 0.939 175 S CB 0.141 63.401 63.200 0.101 0.000 0.804 175 S HN 0.619 nan 8.310 nan 0.000 0.480 176 D N -0.262 120.139 120.400 0.002 0.000 2.523 176 D HA 0.166 4.811 4.640 0.008 0.000 0.269 176 D C -0.042 176.267 176.300 0.015 0.000 1.374 176 D CA -0.583 53.457 54.000 0.066 0.000 0.820 176 D CB -0.782 40.096 40.800 0.131 0.000 1.211 176 D HN 0.338 nan 8.370 nan 0.000 0.502 177 I N 1.821 122.356 120.570 -0.059 0.000 2.683 177 I HA 0.132 4.307 4.170 0.008 0.000 0.286 177 I C 0.815 176.911 176.117 -0.036 0.000 1.175 177 I CA -0.149 61.104 61.300 -0.079 0.000 1.429 177 I CB 0.311 38.236 38.000 -0.125 0.000 1.371 177 I HN 0.160 nan 8.210 nan 0.000 0.569 178 L N 5.637 126.846 121.223 -0.024 0.000 3.717 178 L HA -0.240 4.105 4.340 0.008 0.000 0.414 178 L C 1.212 178.105 176.870 0.038 0.000 1.228 178 L CA 1.636 56.477 54.840 0.001 0.000 0.918 178 L CB -2.229 39.827 42.059 -0.005 0.000 1.865 178 L HN 0.917 nan 8.230 nan 0.000 0.922 179 S N -1.297 114.437 115.700 0.057 0.000 2.556 179 S HA 0.386 4.861 4.470 0.008 0.000 0.216 179 S C 0.664 175.312 174.600 0.080 0.000 0.970 179 S CA 0.184 58.437 58.200 0.088 0.000 0.912 179 S CB 0.205 63.476 63.200 0.119 0.000 0.790 179 S HN 0.807 nan 8.310 nan 0.000 0.504 180 R N -1.147 119.394 120.500 0.068 0.000 2.728 180 R HA 0.537 4.882 4.340 0.008 0.000 0.274 180 R C -3.717 172.619 176.300 0.058 0.000 1.032 180 R CA -1.798 54.343 56.100 0.067 0.000 0.866 180 R CB -0.576 29.777 30.300 0.088 0.000 1.263 180 R HN -0.089 nan 8.270 nan 0.000 0.475 181 P HA 0.145 nan 4.420 nan 0.000 0.269 181 P C -1.179 176.170 177.300 0.082 0.000 1.215 181 P CA -0.411 62.718 63.100 0.048 0.000 0.780 181 P CB 0.456 32.181 31.700 0.042 0.000 0.898 182 L N 2.011 123.273 121.223 0.065 0.000 2.388 182 L HA 0.433 4.778 4.340 0.008 0.000 0.264 182 L C -0.574 176.343 176.870 0.079 0.000 0.998 182 L CA -0.637 54.263 54.840 0.099 0.000 0.817 182 L CB 2.068 44.136 42.059 0.015 0.000 1.338 182 L HN 0.154 nan 8.230 nan 0.000 0.414 183 K N 3.102 123.584 120.400 0.138 0.000 2.244 183 K HA 0.302 4.627 4.320 0.008 0.000 0.263 183 K C 0.631 177.283 176.600 0.087 0.000 1.103 183 K CA -0.283 56.053 56.287 0.081 0.000 0.966 183 K CB 1.162 33.709 32.500 0.079 0.000 1.429 183 K HN 0.509 nan 8.250 nan 0.000 0.434 184 V N 2.098 121.998 119.914 -0.024 0.000 2.626 184 V HA -0.230 3.894 4.120 0.008 0.000 0.252 184 V C 1.582 177.613 176.094 -0.104 0.000 1.067 184 V CA 1.376 63.609 62.300 -0.112 0.000 1.081 184 V CB -0.352 31.219 31.823 -0.420 0.000 0.686 184 V HN 0.709 nan 8.190 nan 0.000 0.468 185 N N 0.197 118.852 118.700 -0.074 0.000 2.519 185 N HA -0.161 4.584 4.740 0.008 0.000 0.186 185 N C 1.781 177.299 175.510 0.014 0.000 1.062 185 N CA 0.889 53.974 53.050 0.058 0.000 0.910 185 N CB -0.175 38.344 38.487 0.054 0.000 0.958 185 N HN 0.616 nan 8.380 nan 0.000 0.445 186 Q N -0.948 118.770 119.800 -0.137 0.000 2.436 186 Q HA 0.009 4.354 4.340 0.008 0.000 0.209 186 Q C -0.342 175.285 176.000 -0.623 0.000 0.965 186 Q CA 0.664 56.203 55.803 -0.440 0.000 0.910 186 Q CB 0.153 28.444 28.738 -0.744 0.000 0.980 186 Q HN 0.264 nan 8.270 nan 0.000 0.491 187 F N -2.108 117.814 119.950 -0.047 0.000 2.561 187 F HA 0.413 4.945 4.527 0.008 0.000 0.321 187 F C 1.159 177.003 175.800 0.073 0.000 1.065 187 F CA -0.909 57.057 58.000 -0.057 0.000 0.934 187 F CB 1.403 40.311 39.000 -0.154 0.000 1.215 187 F HN -0.219 nan 8.300 nan 0.000 0.471 188 G N 1.128 110.040 108.800 0.187 0.000 2.539 188 G HA2 0.153 4.118 3.960 0.008 0.000 0.215 188 G HA3 0.153 4.118 3.960 0.008 0.000 0.215 188 G C 0.072 175.028 174.900 0.094 0.000 1.141 188 G CA 0.303 45.463 45.100 0.100 0.000 0.806 188 G HN 0.439 nan 8.290 nan 0.000 0.533 189 M N 0.266 119.921 119.600 0.092 0.000 2.414 189 M HA 0.525 5.010 4.480 0.008 0.000 0.287 189 M C -2.244 174.022 176.300 -0.057 0.000 1.181 189 M CA -0.553 54.752 55.300 0.009 0.000 0.933 189 M CB 2.467 35.013 32.600 -0.091 0.000 1.732 189 M HN -0.096 nan 8.290 nan 0.000 0.486 190 I N 4.582 125.081 120.570 -0.118 0.000 2.545 190 I HA 0.536 4.711 4.170 0.008 0.000 0.292 190 I C -1.471 174.600 176.117 -0.076 0.000 1.040 190 I CA -0.666 60.471 61.300 -0.272 0.000 1.068 190 I CB 2.285 40.006 38.000 -0.465 0.000 1.251 190 I HN 0.681 nan 8.210 nan 0.000 0.424 191 Y N 3.980 124.169 120.300 -0.184 0.000 2.588 191 Y HA 0.951 5.505 4.550 0.008 0.000 0.343 191 Y C -1.006 174.822 175.900 -0.121 0.000 1.065 191 Y CA -1.375 56.656 58.100 -0.115 0.000 1.038 191 Y CB 1.813 40.239 38.460 -0.056 0.000 1.297 191 Y HN 0.601 nan 8.280 nan 0.000 0.467 192 A N 1.300 124.143 122.820 0.039 0.000 2.512 192 A HA 0.625 4.950 4.320 0.008 0.000 0.294 192 A C -0.284 177.270 177.584 -0.050 0.000 1.054 192 A CA -0.342 51.648 52.037 -0.077 0.000 0.756 192 A CB 0.523 19.440 19.000 -0.139 0.000 1.293 192 A HN 1.633 nan 8.150 nan 0.000 0.395 193 G N 0.605 109.347 108.800 -0.095 0.000 2.484 193 G HA2 0.523 4.488 3.960 0.008 0.000 0.235 193 G HA3 0.523 4.488 3.960 0.008 0.000 0.235 193 G C 1.084 175.909 174.900 -0.125 0.000 1.282 193 G CA 0.341 45.374 45.100 -0.111 0.000 0.857 193 G HN 1.899 nan 8.290 nan 0.000 0.571 194 A N 1.560 124.313 122.820 -0.112 0.000 2.066 194 A HA -0.043 4.282 4.320 0.008 0.000 0.218 194 A C 2.200 179.693 177.584 -0.152 0.000 1.157 194 A CA 1.471 53.432 52.037 -0.127 0.000 0.670 194 A CB -0.149 18.772 19.000 -0.131 0.000 0.804 194 A HN 0.739 nan 8.150 nan 0.000 0.453 195 Q N -0.053 119.659 119.800 -0.148 0.000 2.491 195 Q HA -0.010 4.335 4.340 0.008 0.000 0.214 195 Q C 0.777 176.660 176.000 -0.196 0.000 0.970 195 Q CA 1.109 56.831 55.803 -0.135 0.000 0.960 195 Q CB -0.135 28.549 28.738 -0.091 0.000 0.996 195 Q HN 0.683 nan 8.270 nan 0.000 0.524 196 K N -0.290 119.918 120.400 -0.320 0.000 2.325 196 K HA 0.148 4.473 4.320 0.008 0.000 0.203 196 K C 1.099 177.386 176.600 -0.522 0.000 1.128 196 K CA 0.474 56.366 56.287 -0.658 0.000 0.931 196 K CB 0.470 32.372 32.500 -0.997 0.000 1.125 196 K HN 0.018 nan 8.250 nan 0.000 0.487 197 N N -0.198 118.310 118.700 -0.320 0.000 2.181 197 N HA 0.234 4.979 4.740 0.008 0.000 0.207 197 N C 0.713 176.177 175.510 -0.076 0.000 1.182 197 N CA 0.255 53.224 53.050 -0.135 0.000 0.893 197 N CB 1.008 39.439 38.487 -0.093 0.000 1.032 197 N HN 0.003 nan 8.380 nan 0.000 0.513 198 L N -1.626 119.529 121.223 -0.114 0.000 2.878 198 L HA 0.514 4.859 4.340 0.008 0.000 0.253 198 L C 0.771 177.568 176.870 -0.122 0.000 1.135 198 L CA -0.042 54.742 54.840 -0.092 0.000 0.943 198 L CB 0.914 42.916 42.059 -0.095 0.000 1.307 198 L HN 0.061 nan 8.230 nan 0.000 0.545 199 G N -0.022 108.697 108.800 -0.135 0.000 2.333 199 G HA2 0.191 4.156 3.960 0.008 0.000 0.288 199 G HA3 0.191 4.156 3.960 0.008 0.000 0.288 199 G C -3.217 171.610 174.900 -0.121 0.000 1.286 199 G CA -0.546 44.464 45.100 -0.150 0.000 0.865 199 G HN -0.303 nan 8.290 nan 0.000 0.506 200 P HA 0.493 nan 4.420 nan 0.000 0.281 200 P C 0.103 177.369 177.300 -0.057 0.000 1.281 200 P CA -0.252 62.815 63.100 -0.056 0.000 0.811 200 P CB 1.671 33.368 31.700 -0.005 0.000 1.154 201 S N -1.632 114.048 115.700 -0.033 0.000 2.593 201 S HA 0.455 4.930 4.470 0.008 0.000 0.269 201 S C 1.194 175.778 174.600 -0.025 0.000 1.334 201 S CA 1.046 59.224 58.200 -0.036 0.000 1.015 201 S CB -0.984 62.203 63.200 -0.021 0.000 0.912 201 S HN 0.880 nan 8.310 nan 0.000 0.541 202 G N 1.027 109.807 108.800 -0.035 0.000 2.380 202 G HA2 -0.131 3.834 3.960 0.008 0.000 0.197 202 G HA3 -0.131 3.834 3.960 0.008 0.000 0.197 202 G C -0.109 174.770 174.900 -0.034 0.000 1.001 202 G CA 0.038 45.124 45.100 -0.024 0.000 0.668 202 G HN 1.259 nan 8.290 nan 0.000 0.483 203 V N 1.442 121.323 119.914 -0.055 0.000 2.735 203 V HA 0.845 4.970 4.120 0.008 0.000 0.310 203 V C -0.659 175.407 176.094 -0.048 0.000 1.061 203 V CA 0.277 62.544 62.300 -0.055 0.000 0.913 203 V CB 2.284 34.036 31.823 -0.119 0.000 1.005 203 V HN 0.359 nan 8.190 nan 0.000 0.428 204 T N 5.168 119.719 114.554 -0.004 0.000 2.792 204 T HA 0.541 4.896 4.350 0.008 0.000 0.280 204 T C -0.652 174.108 174.700 0.100 0.000 0.990 204 T CA -0.303 61.806 62.100 0.015 0.000 0.960 204 T CB 1.500 70.362 68.868 -0.011 0.000 0.939 204 T HN 0.506 nan 8.240 nan 0.000 0.439 205 V N 4.121 124.096 119.914 0.100 0.000 2.432 205 V HA 0.456 4.581 4.120 0.008 0.000 0.275 205 V C -0.186 175.964 176.094 0.093 0.000 1.043 205 V CA -0.512 61.886 62.300 0.163 0.000 0.925 205 V CB 1.440 33.345 31.823 0.137 0.000 0.985 205 V HN 0.699 nan 8.190 nan 0.000 0.466 206 V N 6.848 126.800 119.914 0.064 0.000 2.443 206 V HA 0.498 4.623 4.120 0.008 0.000 0.293 206 V C -0.330 175.750 176.094 -0.023 0.000 1.021 206 V CA -0.384 61.937 62.300 0.036 0.000 0.848 206 V CB 1.716 33.570 31.823 0.053 0.000 0.998 206 V HN 0.680 nan 8.190 nan 0.000 0.424 207 I N 5.285 125.837 120.570 -0.031 0.000 2.330 207 I HA 0.585 4.760 4.170 0.008 0.000 0.289 207 I C -0.512 175.626 176.117 0.034 0.000 1.001 207 I CA -0.651 60.638 61.300 -0.018 0.000 1.193 207 I CB 1.836 39.799 38.000 -0.062 0.000 1.345 207 I HN 0.404 nan 8.210 nan 0.000 0.461 208 V N 6.815 126.761 119.914 0.054 0.000 2.709 208 V HA 0.377 4.502 4.120 0.008 0.000 0.308 208 V C -0.327 175.714 176.094 -0.088 0.000 1.062 208 V CA -0.877 61.403 62.300 -0.033 0.000 0.901 208 V CB 2.090 33.801 31.823 -0.187 0.000 1.003 208 V HN 0.741 nan 8.190 nan 0.000 0.425 209 K N 5.590 125.833 120.400 -0.261 0.000 2.419 209 K HA 0.179 4.504 4.320 0.008 0.000 0.282 209 K C 1.177 177.573 176.600 -0.339 0.000 1.056 209 K CA 0.309 56.215 56.287 -0.635 0.000 1.035 209 K CB 0.582 32.760 32.500 -0.537 0.000 0.921 209 K HN 0.721 nan 8.250 nan 0.000 0.472 210 K N 2.530 122.755 120.400 -0.291 0.000 2.009 210 K HA -0.191 4.134 4.320 0.008 0.000 0.210 210 K C 1.235 177.760 176.600 -0.124 0.000 1.049 210 K CA 2.170 58.364 56.287 -0.156 0.000 0.929 210 K CB -0.072 32.359 32.500 -0.114 0.000 0.714 210 K HN 0.849 nan 8.250 nan 0.000 0.440 211 D N 0.892 121.211 120.400 -0.135 0.000 2.310 211 D HA -0.166 4.479 4.640 0.008 0.000 0.212 211 D C 1.914 178.164 176.300 -0.083 0.000 0.965 211 D CA 0.665 54.610 54.000 -0.093 0.000 0.879 211 D CB -0.237 40.511 40.800 -0.087 0.000 0.921 211 D HN 0.079 nan 8.370 nan 0.000 0.510 212 L N -1.074 120.083 121.223 -0.110 0.000 2.023 212 L HA 0.131 4.476 4.340 0.008 0.000 0.205 212 L C 0.678 177.511 176.870 -0.062 0.000 1.073 212 L CA 1.127 55.914 54.840 -0.088 0.000 0.745 212 L CB -0.018 41.971 42.059 -0.116 0.000 0.900 212 L HN 0.153 nan 8.230 nan 0.000 0.435 218 E N 2.159 122.355 120.200 -0.007 0.000 2.465 218 E HA 0.359 4.714 4.350 0.008 0.000 0.260 218 E C 0.739 177.334 176.600 -0.008 0.000 0.980 218 E CA 0.901 57.296 56.400 -0.009 0.000 0.927 218 E CB 0.539 30.236 29.700 -0.004 0.000 0.934 218 E HN 1.159 nan 8.360 nan 0.000 0.459 219 Q N -1.096 118.696 119.800 -0.013 0.000 2.376 219 Q HA -0.147 4.198 4.340 0.008 0.000 0.187 219 Q C -0.216 175.774 176.000 -0.016 0.000 0.603 219 Q CA 0.806 56.602 55.803 -0.011 0.000 1.346 219 Q CB -1.629 27.106 28.738 -0.004 0.000 1.243 219 Q HN 0.609 nan 8.270 nan 0.000 0.930 220 V N 1.977 121.876 119.914 -0.024 0.000 2.509 220 V HA 0.308 4.433 4.120 0.008 0.000 0.284 220 V C -1.916 174.148 176.094 -0.050 0.000 1.047 220 V CA -1.267 61.013 62.300 -0.034 0.000 0.952 220 V CB 1.143 32.942 31.823 -0.040 0.000 0.988 220 V HN -0.007 nan 8.190 nan 0.000 0.469 221 P HA 0.023 nan 4.420 nan 0.000 0.263 221 P C 1.120 178.368 177.300 -0.087 0.000 1.175 221 P CA 0.404 63.474 63.100 -0.049 0.000 0.761 221 P CB 0.343 32.023 31.700 -0.034 0.000 0.794 222 T N 1.979 116.471 114.554 -0.102 0.000 2.653 222 T HA -0.203 4.152 4.350 0.008 0.000 0.268 222 T C 1.684 176.217 174.700 -0.278 0.000 1.035 222 T CA 1.413 63.390 62.100 -0.205 0.000 1.154 222 T CB -0.414 68.338 68.868 -0.193 0.000 0.862 222 T HN 0.384 nan 8.240 nan 0.000 0.441 223 M N 0.352 119.869 119.600 -0.138 0.000 2.460 223 M HA 0.150 4.635 4.480 0.008 0.000 0.263 223 M C 1.575 177.896 176.300 0.036 0.000 1.071 223 M CA 1.033 56.307 55.300 -0.044 0.000 1.096 223 M CB -0.833 31.814 32.600 0.078 0.000 1.408 223 M HN 0.278 nan 8.290 nan 0.000 0.463 224 L N -0.996 120.184 121.223 -0.072 0.000 2.640 224 L HA 0.126 4.471 4.340 0.008 0.000 0.230 224 L C 0.315 177.057 176.870 -0.213 0.000 1.123 224 L CA -0.118 54.649 54.840 -0.122 0.000 0.900 224 L CB 0.131 42.129 42.059 -0.101 0.000 1.146 224 L HN 0.184 nan 8.230 nan 0.000 0.484 225 Q N -0.842 118.843 119.800 -0.192 0.000 2.279 225 Q HA 0.127 4.472 4.340 0.008 0.000 0.256 225 Q C 0.108 176.027 176.000 -0.135 0.000 0.937 225 Q CA -0.297 55.398 55.803 -0.180 0.000 0.933 225 Q CB 1.042 29.691 28.738 -0.149 0.000 1.189 225 Q HN 0.178 nan 8.270 nan 0.000 0.417 226 Y N 1.194 121.512 120.300 0.030 0.000 2.256 226 Y HA -0.290 4.265 4.550 0.008 0.000 0.288 226 Y C 2.231 178.143 175.900 0.021 0.000 1.155 226 Y CA 1.126 59.265 58.100 0.065 0.000 1.203 226 Y CB 0.002 38.472 38.460 0.017 0.000 0.980 226 Y HN 0.808 nan 8.280 nan 0.000 0.530 227 A N -0.398 122.481 122.820 0.098 0.000 1.972 227 A HA -0.201 4.123 4.320 0.008 0.000 0.219 227 A C 2.240 179.782 177.584 -0.070 0.000 1.169 227 A CA 2.128 54.175 52.037 0.017 0.000 0.635 227 A CB -1.137 17.856 19.000 -0.012 0.000 0.810 227 A HN 0.405 nan 8.150 nan 0.000 0.446 228 T N -0.598 113.832 114.554 -0.206 0.000 2.684 228 T HA -0.156 4.199 4.350 0.008 0.000 0.267 228 T C 1.787 176.292 174.700 -0.326 0.000 1.036 228 T CA 1.690 63.535 62.100 -0.426 0.000 1.148 228 T CB -0.455 67.922 68.868 -0.818 0.000 0.863 228 T HN 0.666 nan 8.240 nan 0.000 0.436 229 H N 0.103 119.152 119.070 -0.035 0.000 2.436 229 H HA 0.201 4.761 4.556 0.008 0.000 0.294 229 H C 2.384 177.746 175.328 0.057 0.000 1.048 229 H CA 0.720 56.796 56.048 0.046 0.000 1.353 229 H CB -0.260 29.540 29.762 0.064 0.000 1.414 229 H HN 0.339 nan 8.280 nan 0.000 0.536 230 I N 1.097 121.753 120.570 0.143 0.000 2.179 230 I HA -0.269 3.906 4.170 0.008 0.000 0.242 230 I C 2.661 178.812 176.117 0.057 0.000 1.088 230 I CA 1.415 62.765 61.300 0.083 0.000 1.357 230 I CB -0.104 37.930 38.000 0.058 0.000 1.051 230 I HN 0.103 nan 8.210 nan 0.000 0.409 231 K N 0.917 121.336 120.400 0.033 0.000 2.097 231 K HA -0.107 4.218 4.320 0.008 0.000 0.206 231 K C 1.623 178.255 176.600 0.053 0.000 1.049 231 K CA 1.852 58.153 56.287 0.025 0.000 0.933 231 K CB -0.014 32.484 32.500 -0.005 0.000 0.717 231 K HN 0.141 nan 8.250 nan 0.000 0.442 232 S N 0.732 116.481 115.700 0.082 0.000 2.577 232 S HA 0.031 4.505 4.470 0.008 0.000 0.219 232 S C -0.432 174.254 174.600 0.144 0.000 0.962 232 S CA 0.293 58.570 58.200 0.128 0.000 0.921 232 S CB 0.027 63.352 63.200 0.207 0.000 0.789 232 S HN 0.521 nan 8.310 nan 0.000 0.497 233 D N 1.745 122.225 120.400 0.133 0.000 2.723 233 D HA -0.188 4.457 4.640 0.008 0.000 0.236 233 D C -0.031 176.428 176.300 0.264 0.000 1.138 233 D CA 0.794 54.886 54.000 0.153 0.000 0.676 233 D CB -2.047 38.834 40.800 0.136 0.000 1.069 233 D HN 0.287 nan 8.370 nan 0.000 0.430 234 S N -2.019 113.847 115.700 0.276 0.000 3.587 234 S HA -0.254 4.221 4.470 0.008 0.000 0.337 234 S C 0.924 175.735 174.600 0.352 0.000 1.119 234 S CA 0.914 59.330 58.200 0.359 0.000 0.976 234 S CB -1.420 61.981 63.200 0.334 0.000 0.922 234 S HN 0.608 nan 8.310 nan 0.000 0.503 235 L N -0.738 120.640 121.223 0.258 0.000 3.267 235 L HA 0.306 4.651 4.340 0.008 0.000 0.289 235 L C 1.389 178.381 176.870 0.203 0.000 1.260 235 L CA -0.257 54.694 54.840 0.185 0.000 1.034 235 L CB -0.030 42.077 42.059 0.080 0.000 1.413 235 L HN 0.394 nan 8.230 nan 0.000 0.594 236 Y N 2.054 122.434 120.300 0.132 0.000 2.145 236 Y HA -0.143 4.412 4.550 0.008 0.000 0.286 236 Y C 1.473 177.420 175.900 0.078 0.000 1.145 236 Y CA 1.473 59.614 58.100 0.069 0.000 1.148 236 Y CB 0.272 38.721 38.460 -0.018 0.000 0.981 236 Y HN 0.477 nan 8.280 nan 0.000 0.507 237 N N -1.279 117.417 118.700 -0.007 0.000 3.002 237 N HA 0.141 4.885 4.740 0.008 0.000 0.331 237 N C -0.997 174.423 175.510 -0.148 0.000 1.384 237 N CA -0.239 52.731 53.050 -0.133 0.000 0.780 237 N CB 0.376 38.822 38.487 -0.068 0.000 1.492 237 N HN -0.062 nan 8.380 nan 0.000 0.608 238 T N 2.437 116.792 114.554 -0.332 0.000 2.769 238 T HA 0.270 4.625 4.350 0.008 0.000 0.293 238 T C -2.077 172.458 174.700 -0.275 0.000 0.931 238 T CA -0.463 61.253 62.100 -0.640 0.000 1.139 238 T CB 0.479 68.992 68.868 -0.591 0.000 0.881 238 T HN 0.464 nan 8.240 nan 0.000 0.532 239 P HA 0.300 nan 4.420 nan 0.000 0.276 239 P C -2.760 174.502 177.300 -0.063 0.000 1.261 239 P CA -2.133 60.965 63.100 -0.003 0.000 0.800 239 P CB -0.159 31.658 31.700 0.195 0.000 1.066 240 P HA 0.042 nan 4.420 nan 0.000 0.260 240 P C 1.048 178.354 177.300 0.010 0.000 1.651 240 P CA 0.095 63.190 63.100 -0.008 0.000 1.139 240 P CB -0.606 31.096 31.700 0.004 0.000 1.756 241 T N -0.642 113.874 114.554 -0.063 0.000 2.821 241 T HA -0.193 4.162 4.350 0.008 0.000 0.267 241 T C 1.442 176.212 174.700 0.116 0.000 1.046 241 T CA 0.740 62.798 62.100 -0.071 0.000 1.139 241 T CB -1.034 67.592 68.868 -0.403 0.000 0.871 241 T HN 0.114 nan 8.240 nan 0.000 0.454 242 F N 2.232 122.166 119.950 -0.027 0.000 2.186 242 F HA 0.073 4.604 4.527 0.007 0.000 0.299 242 F C 2.511 178.356 175.800 0.075 0.000 1.090 242 F CA 0.923 58.939 58.000 0.026 0.000 1.307 242 F CB -0.426 38.560 39.000 -0.024 0.000 1.019 242 F HN 0.114 nan 8.300 nan 0.000 0.489 243 S N 0.648 116.367 115.700 0.032 0.000 2.382 243 S HA -0.137 4.338 4.470 0.008 0.000 0.228 243 S C 2.101 176.575 174.600 -0.210 0.000 1.027 243 S CA 1.525 59.667 58.200 -0.097 0.000 0.991 243 S CB -0.417 62.759 63.200 -0.040 0.000 0.823 243 S HN 0.390 nan 8.310 nan 0.000 0.469 244 I N 0.122 120.598 120.570 -0.157 0.000 2.353 244 I HA -0.149 4.026 4.170 0.008 0.000 0.248 244 I C 2.225 178.217 176.117 -0.209 0.000 1.119 244 I CA 1.064 62.202 61.300 -0.271 0.000 1.417 244 I CB -0.354 37.560 38.000 -0.143 0.000 1.078 244 I HN 0.289 nan 8.210 nan 0.000 0.421 245 Y N 1.333 121.493 120.300 -0.232 0.000 2.128 245 Y HA -0.304 4.251 4.550 0.008 0.000 0.284 245 Y C 2.534 178.217 175.900 -0.363 0.000 1.154 245 Y CA 1.787 59.713 58.100 -0.290 0.000 1.149 245 Y CB -0.109 38.137 38.460 -0.357 0.000 0.976 245 Y HN 0.008 nan 8.280 nan 0.000 0.505 246 M N -0.520 118.713 119.600 -0.612 0.000 2.229 246 M HA -0.108 4.377 4.480 0.008 0.000 0.264 246 M C 2.234 178.279 176.300 -0.425 0.000 1.063 246 M CA 1.110 56.040 55.300 -0.617 0.000 1.114 246 M CB -1.291 31.008 32.600 -0.502 0.000 1.387 246 M HN 0.527 nan 8.290 nan 0.000 0.420 247 L N 0.614 121.621 121.223 -0.359 0.000 2.012 247 L HA -0.185 4.160 4.340 0.008 0.000 0.210 247 L C 2.633 179.350 176.870 -0.253 0.000 1.073 247 L CA 1.926 56.591 54.840 -0.292 0.000 0.748 247 L CB -0.739 41.104 42.059 -0.360 0.000 0.891 247 L HN 0.184 nan 8.230 nan 0.000 0.431 248 R N 0.023 120.350 120.500 -0.287 0.000 2.094 248 R HA -0.211 4.134 4.340 0.008 0.000 0.239 248 R C 2.062 178.242 176.300 -0.201 0.000 1.137 248 R CA 2.088 58.063 56.100 -0.209 0.000 0.943 248 R CB -0.852 29.325 30.300 -0.204 0.000 0.850 248 R HN 0.498 nan 8.270 nan 0.000 0.433 249 N N 0.115 118.611 118.700 -0.340 0.000 2.104 249 N HA -0.136 4.609 4.740 0.008 0.000 0.190 249 N C 1.829 177.271 175.510 -0.113 0.000 1.024 249 N CA 1.429 54.322 53.050 -0.261 0.000 0.853 249 N CB -0.436 37.809 38.487 -0.403 0.000 1.008 249 N HN 0.039 nan 8.380 nan 0.000 0.424 250 V N 1.157 120.993 119.914 -0.130 0.000 2.358 250 V HA -0.147 3.977 4.120 0.008 0.000 0.246 250 V C 2.244 178.402 176.094 0.106 0.000 1.047 250 V CA 1.143 63.426 62.300 -0.028 0.000 1.035 250 V CB -0.536 31.232 31.823 -0.091 0.000 0.658 250 V HN 0.250 nan 8.190 nan 0.000 0.452 251 L N -0.379 120.855 121.223 0.017 0.000 2.083 251 L HA -0.187 4.158 4.340 0.008 0.000 0.209 251 L C 2.385 179.286 176.870 0.052 0.000 1.083 251 L CA 1.513 56.375 54.840 0.037 0.000 0.752 251 L CB -0.759 41.295 42.059 -0.007 0.000 0.899 251 L HN 0.316 nan 8.230 nan 0.000 0.433 252 D N -0.700 119.725 120.400 0.041 0.000 2.149 252 D HA -0.241 4.404 4.640 0.008 0.000 0.198 252 D C 1.775 178.130 176.300 0.091 0.000 0.990 252 D CA 1.140 55.167 54.000 0.045 0.000 0.839 252 D CB -0.121 40.696 40.800 0.029 0.000 0.948 252 D HN 0.441 nan 8.370 nan 0.000 0.460 253 W N 1.442 122.710 121.300 -0.053 0.000 2.381 253 W HA -0.080 4.584 4.660 0.006 0.000 0.301 253 W C 2.093 178.595 176.519 -0.029 0.000 1.205 253 W CA 1.003 58.324 57.345 -0.039 0.000 1.285 253 W CB -0.400 29.034 29.460 -0.044 0.000 1.133 253 W HN -0.133 nan 8.180 nan 0.000 0.521 254 I N 0.853 121.458 120.570 0.058 0.000 2.226 254 I HA -0.317 3.858 4.170 0.008 0.000 0.245 254 I C 2.547 178.550 176.117 -0.190 0.000 1.100 254 I CA 1.841 63.038 61.300 -0.171 0.000 1.374 254 I CB -0.733 37.289 38.000 0.037 0.000 1.057 254 I HN -0.026 nan 8.210 nan 0.000 0.413 255 K N 1.036 121.381 120.400 -0.092 0.000 2.026 255 K HA -0.233 4.092 4.320 0.008 0.000 0.208 255 K C 1.642 178.171 176.600 -0.118 0.000 1.048 255 K CA 1.974 58.212 56.287 -0.082 0.000 0.929 255 K CB -0.041 32.435 32.500 -0.040 0.000 0.713 255 K HN 0.170 nan 8.250 nan 0.000 0.439 256 D N 0.772 121.090 120.400 -0.136 0.000 2.218 256 D HA -0.139 4.505 4.640 0.008 0.000 0.204 256 D C 1.683 177.857 176.300 -0.210 0.000 0.976 256 D CA 1.109 55.023 54.000 -0.143 0.000 0.853 256 D CB -0.032 40.699 40.800 -0.115 0.000 0.939 256 D HN 0.379 nan 8.370 nan 0.000 0.481 257 L N -3.910 117.108 121.223 -0.342 0.000 2.558 257 L HA 0.467 4.812 4.340 0.008 0.000 0.225 257 L C 1.389 178.127 176.870 -0.219 0.000 1.128 257 L CA 0.788 55.422 54.840 -0.343 0.000 0.868 257 L CB 0.128 41.847 42.059 -0.567 0.000 1.006 257 L HN 0.023 nan 8.230 nan 0.000 0.454 258 G N -2.235 106.461 108.800 -0.173 0.000 2.198 258 G HA2 0.289 4.253 3.960 0.008 0.000 0.156 258 G HA3 0.289 4.253 3.960 0.008 0.000 0.156 258 G C 0.680 175.523 174.900 -0.095 0.000 1.012 258 G CA -0.383 44.650 45.100 -0.112 0.000 0.692 258 G HN 1.235 nan 8.290 nan 0.000 0.492 259 G N -0.590 108.143 108.800 -0.112 0.000 2.632 259 G HA2 0.295 4.260 3.960 0.008 0.000 0.224 259 G HA3 0.295 4.260 3.960 0.008 0.000 0.224 259 G C 1.182 176.047 174.900 -0.059 0.000 1.341 259 G CA 1.308 46.364 45.100 -0.075 0.000 0.880 259 G HN 1.819 nan 8.290 nan 0.000 0.566 260 A N -1.002 121.799 122.820 -0.032 0.000 1.969 260 A HA 0.184 4.509 4.320 0.008 0.000 0.218 260 A C 2.077 179.657 177.584 -0.006 0.000 1.169 260 A CA 2.351 54.381 52.037 -0.012 0.000 0.635 260 A CB -0.416 18.583 19.000 -0.001 0.000 0.810 260 A HN 0.806 nan 8.150 nan 0.000 0.445 261 E N -0.143 120.050 120.200 -0.012 0.000 2.107 261 E HA 0.014 4.369 4.350 0.008 0.000 0.191 261 E C 2.230 178.822 176.600 -0.014 0.000 0.982 261 E CA 0.984 57.381 56.400 -0.005 0.000 0.809 261 E CB -0.251 29.446 29.700 -0.006 0.000 0.756 261 E HN 0.600 nan 8.360 nan 0.000 0.459 262 A N 0.708 123.507 122.820 -0.036 0.000 1.898 262 A HA -0.144 4.181 4.320 0.008 0.000 0.216 262 A C 2.177 179.731 177.584 -0.050 0.000 1.181 262 A CA 0.956 52.962 52.037 -0.052 0.000 0.620 262 A CB -0.427 18.521 19.000 -0.087 0.000 0.819 262 A HN 0.237 nan 8.150 nan 0.000 0.442 263 I N -0.272 120.265 120.570 -0.055 0.000 2.394 263 I HA -0.141 4.034 4.170 0.008 0.000 0.251 263 I C 2.577 178.708 176.117 0.023 0.000 1.136 263 I CA 1.140 62.425 61.300 -0.027 0.000 1.425 263 I CB -0.165 37.828 38.000 -0.012 0.000 1.079 263 I HN 0.295 nan 8.210 nan 0.000 0.425 264 A N -0.037 122.798 122.820 0.025 0.000 1.902 264 A HA -0.231 4.094 4.320 0.008 0.000 0.217 264 A C 2.339 179.947 177.584 0.041 0.000 1.181 264 A CA 1.671 53.735 52.037 0.044 0.000 0.623 264 A CB -0.526 18.500 19.000 0.043 0.000 0.818 264 A HN 0.386 nan 8.150 nan 0.000 0.443 265 K N -0.771 119.642 120.400 0.023 0.000 2.057 265 K HA -0.226 4.098 4.320 0.008 0.000 0.207 265 K C 2.390 179.010 176.600 0.033 0.000 1.049 265 K CA 1.735 58.036 56.287 0.023 0.000 0.931 265 K CB -0.149 32.356 32.500 0.008 0.000 0.714 265 K HN 0.713 nan 8.250 nan 0.000 0.440 266 Q N 0.850 120.668 119.800 0.031 0.000 2.079 266 Q HA -0.152 4.192 4.340 0.008 0.000 0.200 266 Q C 1.620 177.661 176.000 0.068 0.000 0.974 266 Q CA 1.447 57.278 55.803 0.046 0.000 0.840 266 Q CB 0.108 28.873 28.738 0.046 0.000 0.898 266 Q HN 0.216 nan 8.270 nan 0.000 0.430 267 N N 0.612 119.359 118.700 0.078 0.000 2.188 267 N HA -0.139 4.606 4.740 0.008 0.000 0.184 267 N C 1.344 176.911 175.510 0.096 0.000 1.018 267 N CA 1.434 54.543 53.050 0.097 0.000 0.858 267 N CB -0.082 38.471 38.487 0.110 0.000 0.989 267 N HN 0.406 nan 8.380 nan 0.000 0.426 268 E N 0.314 120.564 120.200 0.083 0.000 2.150 268 E HA -0.175 4.179 4.350 0.008 0.000 0.193 268 E C 1.580 178.229 176.600 0.082 0.000 0.985 268 E CA 0.715 57.167 56.400 0.086 0.000 0.814 268 E CB 0.063 29.803 29.700 0.066 0.000 0.752 268 E HN 0.307 nan 8.360 nan 0.000 0.466 269 E N 1.663 121.903 120.200 0.067 0.000 2.072 269 E HA -0.169 4.186 4.350 0.008 0.000 0.191 269 E C 1.591 178.229 176.600 0.064 0.000 0.985 269 E CA 1.394 57.830 56.400 0.059 0.000 0.801 269 E CB 0.081 29.810 29.700 0.048 0.000 0.750 269 E HN 0.039 nan 8.360 nan 0.000 0.452 270 K N 0.024 120.467 120.400 0.071 0.000 2.032 270 K HA -0.081 4.244 4.320 0.008 0.000 0.209 270 K C 2.168 178.802 176.600 0.057 0.000 1.048 270 K CA 1.531 57.860 56.287 0.070 0.000 0.927 270 K CB -0.338 32.212 32.500 0.083 0.000 0.712 270 K HN 0.219 nan 8.250 nan 0.000 0.441 271 A N 1.562 124.432 122.820 0.084 0.000 1.902 271 A HA -0.224 4.100 4.320 0.008 0.000 0.217 271 A C 2.046 179.714 177.584 0.139 0.000 1.181 271 A CA 1.785 53.879 52.037 0.093 0.000 0.623 271 A CB -0.435 18.707 19.000 0.236 0.000 0.818 271 A HN 0.281 nan 8.150 nan 0.000 0.443 272 K N -0.110 120.377 120.400 0.146 0.000 2.063 272 K HA -0.146 4.179 4.320 0.008 0.000 0.208 272 K C 1.768 178.409 176.600 0.069 0.000 1.048 272 K CA 1.768 58.132 56.287 0.129 0.000 0.928 272 K CB -0.380 32.170 32.500 0.084 0.000 0.713 272 K HN 0.490 nan 8.250 nan 0.000 0.442 273 I N 0.983 121.572 120.570 0.030 0.000 2.163 273 I HA -0.312 3.863 4.170 0.008 0.000 0.243 273 I C 2.226 178.302 176.117 -0.068 0.000 1.085 273 I CA 1.386 62.681 61.300 -0.008 0.000 1.347 273 I CB -0.191 37.809 38.000 0.000 0.000 1.044 273 I HN 0.215 nan 8.210 nan 0.000 0.408 274 I N -0.972 119.519 120.570 -0.132 0.000 2.333 274 I HA -0.244 3.931 4.170 0.008 0.000 0.246 274 I C 2.321 178.264 176.117 -0.290 0.000 1.106 274 I CA 1.363 62.491 61.300 -0.286 0.000 1.411 274 I CB -0.438 37.331 38.000 -0.384 0.000 1.082 274 I HN 0.139 nan 8.210 nan 0.000 0.420 275 Y N 1.123 121.367 120.300 -0.092 0.000 2.242 275 Y HA -0.227 4.329 4.550 0.009 0.000 0.291 275 Y C 2.340 178.199 175.900 -0.070 0.000 1.137 275 Y CA 0.917 58.970 58.100 -0.077 0.000 1.181 275 Y CB -0.241 38.202 38.460 -0.028 0.000 0.989 275 Y HN 0.153 nan 8.280 nan 0.000 0.527 276 D N -0.673 119.784 120.400 0.096 0.000 2.144 276 D HA -0.144 4.500 4.640 0.008 0.000 0.199 276 D C 2.080 178.381 176.300 0.002 0.000 0.984 276 D CA 1.732 55.758 54.000 0.044 0.000 0.834 276 D CB -0.473 40.344 40.800 0.029 0.000 0.955 276 D HN 0.257 nan 8.370 nan 0.000 0.465 277 T N 0.770 115.289 114.554 -0.057 0.000 2.746 277 T HA -0.074 4.281 4.350 0.008 0.000 0.267 277 T C 2.214 176.871 174.700 -0.071 0.000 1.039 277 T CA 0.574 62.618 62.100 -0.094 0.000 1.142 277 T CB -0.155 68.593 68.868 -0.200 0.000 0.866 277 T HN 0.159 nan 8.240 nan 0.000 0.444 278 I N 1.236 121.730 120.570 -0.128 0.000 2.179 278 I HA -0.164 4.011 4.170 0.008 0.000 0.242 278 I C 2.224 178.378 176.117 0.061 0.000 1.088 278 I CA 1.216 62.488 61.300 -0.046 0.000 1.357 278 I CB -0.297 37.647 38.000 -0.093 0.000 1.051 278 I HN 0.122 nan 8.210 nan 0.000 0.409 279 D N 0.562 120.995 120.400 0.055 0.000 2.219 279 D HA -0.144 4.501 4.640 0.008 0.000 0.205 279 D C 1.796 178.125 176.300 0.048 0.000 0.970 279 D CA 1.048 55.081 54.000 0.056 0.000 0.851 279 D CB -0.150 40.678 40.800 0.047 0.000 0.943 279 D HN 0.428 nan 8.370 nan 0.000 0.488 280 E N 0.044 120.271 120.200 0.044 0.000 2.489 280 E HA -0.009 4.345 4.350 0.008 0.000 0.193 280 E C 1.382 178.013 176.600 0.052 0.000 1.057 280 E CA -0.001 56.421 56.400 0.037 0.000 0.866 280 E CB 0.230 29.944 29.700 0.023 0.000 0.916 280 E HN 0.134 nan 8.360 nan 0.000 0.500 281 S N -0.012 115.744 115.700 0.093 0.000 2.593 281 S HA -0.015 4.460 4.470 0.008 0.000 0.217 281 S C 0.329 174.987 174.600 0.096 0.000 0.966 281 S CA -0.073 58.204 58.200 0.128 0.000 0.914 281 S CB -0.414 62.965 63.200 0.298 0.000 0.776 281 S HN 0.286 nan 8.310 nan 0.000 0.523 282 N N 0.992 119.733 118.700 0.069 0.000 2.740 282 N HA -0.163 4.582 4.740 0.008 0.000 0.248 282 N C 0.667 176.215 175.510 0.064 0.000 1.062 282 N CA 0.278 53.360 53.050 0.052 0.000 0.704 282 N CB -1.542 36.966 38.487 0.036 0.000 0.968 282 N HN 0.852 nan 8.380 nan 0.000 0.547 283 G N -1.263 107.579 108.800 0.070 0.000 2.179 283 G HA2 -0.401 3.564 3.960 0.008 0.000 0.260 283 G HA3 -0.401 3.564 3.960 0.008 0.000 0.260 283 G C 0.562 175.479 174.900 0.029 0.000 0.977 283 G CA 0.442 45.571 45.100 0.048 0.000 0.641 283 G HN 0.479 nan 8.290 nan 0.000 0.533 284 F N 0.621 120.498 119.950 -0.122 0.000 2.146 284 F HA 0.335 4.867 4.527 0.009 0.000 0.298 284 F C 1.156 176.700 175.800 -0.426 0.000 1.096 284 F CA 0.963 58.790 58.000 -0.287 0.000 1.275 284 F CB 0.096 38.853 39.000 -0.405 0.000 1.008 284 F HN 0.231 nan 8.300 nan 0.000 0.480 285 Y N -0.159 120.204 120.300 0.105 0.000 2.341 285 Y HA 0.532 5.087 4.550 0.008 0.000 0.337 285 Y C -0.550 175.361 175.900 0.018 0.000 1.014 285 Y CA -1.239 56.862 58.100 0.003 0.000 1.111 285 Y CB 1.497 39.896 38.460 -0.102 0.000 1.194 285 Y HN -0.458 nan 8.280 nan 0.000 0.462 286 V N 2.944 122.980 119.914 0.204 0.000 2.483 286 V HA 0.549 4.674 4.120 0.008 0.000 0.297 286 V C 0.321 176.548 176.094 0.222 0.000 1.027 286 V CA -0.958 61.435 62.300 0.155 0.000 0.855 286 V CB 1.558 33.434 31.823 0.089 0.000 0.995 286 V HN 0.975 nan 8.190 nan 0.000 0.424 287 G N 1.394 110.318 108.800 0.207 0.000 2.467 287 G HA2 0.215 4.180 3.960 0.008 0.000 0.257 287 G HA3 0.215 4.180 3.960 0.008 0.000 0.257 287 G C 0.678 175.717 174.900 0.231 0.000 1.227 287 G CA -0.094 45.167 45.100 0.269 0.000 0.835 287 G HN 0.896 nan 8.290 nan 0.000 0.556 288 H N 1.700 120.884 119.070 0.190 0.000 2.403 288 H HA 0.147 4.708 4.556 0.008 0.000 0.298 288 H C 1.424 176.845 175.328 0.155 0.000 1.059 288 H CA 0.947 57.091 56.048 0.160 0.000 1.363 288 H CB 0.176 30.040 29.762 0.171 0.000 1.410 288 H HN 0.502 nan 8.280 nan 0.000 0.528 289 A N 1.554 124.439 122.820 0.109 0.000 2.388 289 A HA 0.147 4.471 4.320 0.008 0.000 0.257 289 A C 0.049 177.609 177.584 -0.039 0.000 1.095 289 A CA -0.363 51.691 52.037 0.029 0.000 0.791 289 A CB 0.242 19.340 19.000 0.162 0.000 1.029 289 A HN 0.574 nan 8.150 nan 0.000 0.489 290 E N 1.032 121.189 120.200 -0.073 0.000 2.442 290 E HA -0.009 4.346 4.350 0.008 0.000 0.262 290 E C 0.687 177.241 176.600 -0.076 0.000 1.004 290 E CA -0.043 56.316 56.400 -0.069 0.000 0.928 290 E CB 0.623 30.282 29.700 -0.068 0.000 0.937 290 E HN 0.613 nan 8.360 nan 0.000 0.446 291 K N 1.995 122.341 120.400 -0.091 0.000 2.074 291 K HA -0.194 4.131 4.320 0.008 0.000 0.209 291 K C 1.889 178.406 176.600 -0.140 0.000 1.048 291 K CA 1.471 57.676 56.287 -0.136 0.000 0.926 291 K CB -0.296 32.138 32.500 -0.112 0.000 0.713 291 K HN 0.687 nan 8.250 nan 0.000 0.444 292 G N 0.201 108.938 108.800 -0.105 0.000 2.559 292 G HA2 -0.145 3.820 3.960 0.008 0.000 0.216 292 G HA3 -0.145 3.820 3.960 0.008 0.000 0.216 292 G C 1.141 175.982 174.900 -0.097 0.000 1.126 292 G CA 0.486 45.525 45.100 -0.102 0.000 0.778 292 G HN 0.176 nan 8.290 nan 0.000 0.543 293 S N -0.563 115.089 115.700 -0.081 0.000 2.629 293 S HA 0.257 4.731 4.470 0.008 0.000 0.236 293 S C 0.791 175.389 174.600 -0.004 0.000 1.010 293 S CA -0.672 57.500 58.200 -0.047 0.000 0.981 293 S CB 0.553 63.734 63.200 -0.032 0.000 0.919 293 S HN 0.308 nan 8.310 nan 0.000 0.514 294 R N 2.508 122.971 120.500 -0.062 0.000 2.502 294 R HA 0.109 4.454 4.340 0.008 0.000 0.292 294 R C 0.440 176.791 176.300 0.085 0.000 0.998 294 R CA 0.142 56.212 56.100 -0.051 0.000 1.056 294 R CB 0.301 30.318 30.300 -0.472 0.000 0.939 294 R HN 0.150 nan 8.270 nan 0.000 0.411 295 S N 2.723 118.561 115.700 0.230 0.000 2.562 295 S HA 0.060 4.535 4.470 0.008 0.000 0.281 295 S C 1.299 176.085 174.600 0.311 0.000 1.333 295 S CA -0.560 57.790 58.200 0.250 0.000 1.052 295 S CB 0.537 63.892 63.200 0.259 0.000 0.884 295 S HN 0.568 nan 8.310 nan 0.000 0.506 296 L N 4.081 125.448 121.223 0.240 0.000 2.558 296 L HA 0.089 4.434 4.340 0.008 0.000 0.225 296 L C 1.742 178.723 176.870 0.186 0.000 1.128 296 L CA 0.172 55.148 54.840 0.227 0.000 0.868 296 L CB -0.229 41.934 42.059 0.174 0.000 1.006 296 L HN 0.663 nan 8.230 nan 0.000 0.454 297 M N -1.033 118.682 119.600 0.192 0.000 2.800 297 M HA 0.158 4.643 4.480 0.008 0.000 0.257 297 M C -0.146 176.193 176.300 0.065 0.000 1.309 297 M CA 0.723 56.130 55.300 0.177 0.000 1.202 297 M CB -0.101 32.677 32.600 0.298 0.000 1.273 297 M HN 0.106 nan 8.290 nan 0.000 0.528 298 N N 0.327 119.100 118.700 0.122 0.000 2.504 298 N HA 0.370 5.115 4.740 0.008 0.000 0.280 298 N C -1.191 174.392 175.510 0.121 0.000 1.052 298 N CA -0.172 52.927 53.050 0.082 0.000 0.887 298 N CB 2.562 41.129 38.487 0.133 0.000 1.323 298 N HN -0.200 nan 8.380 nan 0.000 0.509 299 V N 1.836 121.787 119.914 0.061 0.000 2.348 299 V HA 0.389 4.514 4.120 0.008 0.000 0.270 299 V C 0.289 176.487 176.094 0.173 0.000 1.037 299 V CA -0.551 61.778 62.300 0.047 0.000 0.872 299 V CB 0.439 32.120 31.823 -0.237 0.000 1.002 299 V HN 0.744 nan 8.190 nan 0.000 0.464 300 T N 3.265 117.957 114.554 0.229 0.000 2.829 300 T HA 0.858 5.213 4.350 0.008 0.000 0.282 300 T C -0.722 174.163 174.700 0.309 0.000 0.990 300 T CA -0.521 61.681 62.100 0.171 0.000 1.028 300 T CB 1.329 70.265 68.868 0.113 0.000 0.951 300 T HN 0.656 nan 8.240 nan 0.000 0.460 301 F N 0.127 120.091 119.950 0.023 0.000 2.741 301 F HA 0.744 5.276 4.527 0.007 0.000 0.311 301 F C -1.566 174.229 175.800 -0.008 0.000 1.149 301 F CA -1.383 56.632 58.000 0.025 0.000 0.930 301 F CB 1.026 40.013 39.000 -0.022 0.000 1.312 301 F HN 0.797 nan 8.300 nan 0.000 0.450 302 N N 0.450 119.235 118.700 0.142 0.000 2.455 302 N HA 0.715 5.459 4.740 0.008 0.000 0.278 302 N C -1.955 173.590 175.510 0.058 0.000 1.291 302 N CA -0.858 52.191 53.050 -0.003 0.000 0.780 302 N CB 1.998 40.471 38.487 -0.025 0.000 1.520 302 N HN 0.655 nan 8.380 nan 0.000 0.486 303 L N 0.194 121.373 121.223 -0.073 0.000 2.567 303 L HA 0.479 4.824 4.340 0.008 0.000 0.238 303 L C 1.943 178.670 176.870 -0.238 0.000 1.168 303 L CA -0.481 54.205 54.840 -0.256 0.000 0.817 303 L CB 0.299 42.166 42.059 -0.321 0.000 1.409 303 L HN 0.612 nan 8.230 nan 0.000 0.502 304 R N -0.319 119.971 120.500 -0.351 0.000 2.189 304 R HA -0.034 4.311 4.340 0.008 0.000 0.218 304 R C -0.432 175.795 176.300 -0.122 0.000 1.074 304 R CA 0.847 56.821 56.100 -0.210 0.000 0.991 304 R CB -0.300 29.865 30.300 -0.225 0.000 0.883 304 R HN 0.824 nan 8.270 nan 0.000 0.457 305 N N -2.168 116.465 118.700 -0.112 0.000 2.853 305 N HA -0.006 4.739 4.740 0.008 0.000 0.258 305 N C -0.005 175.480 175.510 -0.041 0.000 1.444 305 N CA -0.695 52.321 53.050 -0.058 0.000 0.837 305 N CB 0.627 39.090 38.487 -0.039 0.000 1.489 305 N HN -0.342 nan 8.380 nan 0.000 0.529 306 E N -0.078 120.108 120.200 -0.023 0.000 2.110 306 E HA -0.194 4.161 4.350 0.008 0.000 0.193 306 E C 1.197 177.800 176.600 0.004 0.000 0.988 306 E CA 1.545 57.936 56.400 -0.014 0.000 0.804 306 E CB -0.049 29.645 29.700 -0.010 0.000 0.745 306 E HN 0.710 nan 8.360 nan 0.000 0.458 307 E N -0.164 120.045 120.200 0.014 0.000 2.072 307 E HA -0.170 4.185 4.350 0.008 0.000 0.191 307 E C 2.100 178.747 176.600 0.078 0.000 0.985 307 E CA 1.070 57.494 56.400 0.040 0.000 0.801 307 E CB -0.132 29.590 29.700 0.037 0.000 0.750 307 E HN 0.343 nan 8.360 nan 0.000 0.452 308 L N 1.022 122.289 121.223 0.074 0.000 2.083 308 L HA -0.189 4.156 4.340 0.008 0.000 0.209 308 L C 2.474 179.422 176.870 0.129 0.000 1.083 308 L CA 0.778 55.709 54.840 0.151 0.000 0.752 308 L CB -0.531 41.555 42.059 0.045 0.000 0.899 308 L HN 0.169 nan 8.230 nan 0.000 0.433 309 N N -0.256 118.465 118.700 0.035 0.000 2.036 309 N HA -0.221 4.524 4.740 0.008 0.000 0.195 309 N C 1.921 177.469 175.510 0.063 0.000 1.037 309 N CA 1.361 54.425 53.050 0.023 0.000 0.855 309 N CB -0.181 38.291 38.487 -0.024 0.000 1.033 309 N HN 0.293 nan 8.380 nan 0.000 0.423 310 Q N 0.657 120.485 119.800 0.047 0.000 2.079 310 Q HA -0.089 4.256 4.340 0.008 0.000 0.200 310 Q C 2.042 178.076 176.000 0.057 0.000 0.974 310 Q CA 1.084 56.910 55.803 0.037 0.000 0.840 310 Q CB -0.280 28.477 28.738 0.031 0.000 0.898 310 Q HN 0.579 nan 8.270 nan 0.000 0.430 311 Q N -0.488 119.387 119.800 0.126 0.000 2.084 311 Q HA -0.163 4.182 4.340 0.008 0.000 0.202 311 Q C 1.904 177.940 176.000 0.061 0.000 0.978 311 Q CA 1.291 57.214 55.803 0.200 0.000 0.844 311 Q CB -0.258 28.733 28.738 0.422 0.000 0.898 311 Q HN 0.271 nan 8.270 nan 0.000 0.426 312 F N 1.176 120.914 119.950 -0.354 0.000 2.069 312 F HA -0.227 4.305 4.527 0.009 0.000 0.298 312 F C 1.763 177.341 175.800 -0.370 0.000 1.113 312 F CA 1.420 58.930 58.000 -0.816 0.000 1.214 312 F CB -0.202 38.396 39.000 -0.670 0.000 0.978 312 F HN -0.033 nan 8.300 nan 0.000 0.474 313 L N -0.239 120.828 121.223 -0.260 0.000 2.141 313 L HA -0.149 4.196 4.340 0.008 0.000 0.209 313 L C 2.761 179.495 176.870 -0.227 0.000 1.094 313 L CA 0.984 55.652 54.840 -0.286 0.000 0.763 313 L CB -1.093 40.915 42.059 -0.085 0.000 0.908 313 L HN 0.274 nan 8.230 nan 0.000 0.437 314 A N 0.322 123.063 122.820 -0.132 0.000 1.902 314 A HA -0.257 4.068 4.320 0.008 0.000 0.217 314 A C 2.309 179.848 177.584 -0.075 0.000 1.181 314 A CA 2.042 54.041 52.037 -0.064 0.000 0.623 314 A CB -0.377 18.622 19.000 -0.002 0.000 0.818 314 A HN 0.255 nan 8.150 nan 0.000 0.443 315 K N 0.253 120.579 120.400 -0.123 0.000 2.057 315 K HA 0.040 4.365 4.320 0.008 0.000 0.206 315 K C 1.982 178.506 176.600 -0.127 0.000 1.050 315 K CA 1.630 57.876 56.287 -0.069 0.000 0.935 315 K CB -0.594 31.911 32.500 0.008 0.000 0.715 315 K HN 0.299 nan 8.250 nan 0.000 0.439 316 A N 1.271 123.866 122.820 -0.376 0.000 1.892 316 A HA -0.258 4.067 4.320 0.008 0.000 0.218 316 A C 2.173 179.810 177.584 0.088 0.000 1.188 316 A CA 2.225 54.080 52.037 -0.303 0.000 0.631 316 A CB -0.725 17.877 19.000 -0.664 0.000 0.822 316 A HN 0.483 nan 8.150 nan 0.000 0.447 317 K N -0.024 120.378 120.400 0.002 0.000 2.097 317 K HA -0.205 4.119 4.320 0.008 0.000 0.206 317 K C 2.060 178.711 176.600 0.085 0.000 1.049 317 K CA 1.680 58.009 56.287 0.070 0.000 0.933 317 K CB -0.209 32.302 32.500 0.019 0.000 0.717 317 K HN 0.667 nan 8.250 nan 0.000 0.442 318 E N -0.019 120.220 120.200 0.064 0.000 2.150 318 E HA -0.192 4.163 4.350 0.008 0.000 0.193 318 E C 1.220 177.880 176.600 0.100 0.000 0.985 318 E CA 0.856 57.296 56.400 0.068 0.000 0.814 318 E CB 0.159 29.893 29.700 0.057 0.000 0.752 318 E HN 0.319 nan 8.360 nan 0.000 0.466 319 Q N -0.438 119.465 119.800 0.171 0.000 2.365 319 Q HA 0.105 4.450 4.340 0.008 0.000 0.203 319 Q C 0.930 177.046 176.000 0.194 0.000 0.929 319 Q CA 0.780 56.723 55.803 0.233 0.000 0.948 319 Q CB 1.107 30.072 28.738 0.379 0.000 1.043 319 Q HN 0.537 nan 8.270 nan 0.000 0.505 320 G N 0.401 109.278 108.800 0.129 0.000 2.176 320 G HA2 -0.242 3.723 3.960 0.008 0.000 0.232 320 G HA3 -0.242 3.723 3.960 0.008 0.000 0.232 320 G C -0.177 174.726 174.900 0.004 0.000 0.986 320 G CA -0.483 44.608 45.100 -0.015 0.000 0.643 320 G HN 0.273 nan 8.290 nan 0.000 0.522 321 F N 0.725 120.816 119.950 0.236 0.000 2.456 321 F HA 0.567 5.099 4.527 0.010 0.000 0.358 321 F C 0.779 176.680 175.800 0.168 0.000 1.095 321 F CA -0.468 57.703 58.000 0.285 0.000 1.216 321 F CB 1.618 40.708 39.000 0.151 0.000 1.125 321 F HN -0.024 nan 8.300 nan 0.000 0.549 322 V N 2.098 122.231 119.914 0.364 0.000 2.555 322 V HA 0.666 4.790 4.120 0.008 0.000 0.302 322 V C 0.494 176.738 176.094 0.250 0.000 1.038 322 V CA -0.323 62.111 62.300 0.224 0.000 0.887 322 V CB 1.113 33.016 31.823 0.132 0.000 0.991 322 V HN 0.977 nan 8.190 nan 0.000 0.434 323 G N 3.411 112.309 108.800 0.163 0.000 2.157 323 G HA2 -0.209 3.755 3.960 0.008 0.000 0.239 323 G HA3 -0.209 3.755 3.960 0.008 0.000 0.239 323 G C 0.515 175.482 174.900 0.112 0.000 0.982 323 G CA 0.340 45.526 45.100 0.143 0.000 0.650 323 G HN 0.625 nan 8.290 nan 0.000 0.527 324 L N -0.040 121.225 121.223 0.070 0.000 2.478 324 L HA 0.150 4.494 4.340 0.008 0.000 0.223 324 L C 1.284 178.117 176.870 -0.061 0.000 1.140 324 L CA 0.001 54.829 54.840 -0.021 0.000 0.842 324 L CB -0.303 41.702 42.059 -0.091 0.000 0.953 324 L HN 0.183 nan 8.230 nan 0.000 0.452 325 N N 0.880 119.558 118.700 -0.037 0.000 2.412 325 N HA 0.097 4.842 4.740 0.008 0.000 0.258 325 N C 0.580 176.051 175.510 -0.065 0.000 1.236 325 N CA 0.446 53.461 53.050 -0.059 0.000 0.882 325 N CB 0.609 39.072 38.487 -0.040 0.000 1.066 325 N HN 0.108 nan 8.380 nan 0.000 0.465 326 G N 0.770 109.508 108.800 -0.104 0.000 2.664 326 G HA2 -0.074 3.891 3.960 0.008 0.000 0.242 326 G HA3 -0.074 3.891 3.960 0.008 0.000 0.242 326 G C -0.195 174.683 174.900 -0.037 0.000 1.225 326 G CA -0.337 44.711 45.100 -0.087 0.000 0.849 326 G HN 0.668 nan 8.290 nan 0.000 0.581 327 H N 0.787 119.796 119.070 -0.103 0.000 3.038 327 H HA -0.055 4.506 4.556 0.008 0.000 0.338 327 H C 2.044 177.315 175.328 -0.095 0.000 1.041 327 H CA 0.497 56.494 56.048 -0.086 0.000 1.394 327 H CB 0.708 30.396 29.762 -0.123 0.000 1.357 327 H HN 0.675 nan 8.280 nan 0.000 0.600 328 R N 2.084 122.255 120.500 -0.548 0.000 2.159 328 R HA -0.140 4.205 4.340 0.008 0.000 0.237 328 R C 1.705 177.923 176.300 -0.137 0.000 1.131 328 R CA 1.664 57.592 56.100 -0.287 0.000 0.982 328 R CB -0.537 29.588 30.300 -0.291 0.000 0.868 328 R HN 0.549 nan 8.270 nan 0.000 0.453 329 S N 0.708 116.395 115.700 -0.021 0.000 2.447 329 S HA -0.061 4.414 4.470 0.008 0.000 0.233 329 S C 1.929 176.549 174.600 0.033 0.000 1.006 329 S CA 0.829 59.087 58.200 0.096 0.000 0.957 329 S CB 0.026 63.367 63.200 0.236 0.000 0.773 329 S HN 0.414 nan 8.310 nan 0.000 0.507 330 V N -3.510 116.393 119.914 -0.018 0.000 3.497 330 V HA 0.636 4.761 4.120 0.008 0.000 0.272 330 V C 1.296 177.341 176.094 -0.082 0.000 1.474 330 V CA 0.054 62.300 62.300 -0.089 0.000 1.025 330 V CB -0.794 30.864 31.823 -0.275 0.000 0.820 330 V HN 0.781 nan 8.190 nan 0.000 0.437 331 G N 0.887 109.640 108.800 -0.078 0.000 2.575 331 G HA2 0.221 4.186 3.960 0.008 0.000 0.267 331 G HA3 0.221 4.186 3.960 0.008 0.000 0.267 331 G C 1.076 175.909 174.900 -0.111 0.000 1.264 331 G CA 0.520 45.570 45.100 -0.083 0.000 0.935 331 G HN 2.388 nan 8.290 nan 0.000 0.568 332 G N -2.177 106.555 108.800 -0.113 0.000 2.569 332 G HA2 0.108 4.073 3.960 0.008 0.000 0.259 332 G HA3 0.108 4.073 3.960 0.008 0.000 0.259 332 G C 0.399 175.150 174.900 -0.249 0.000 1.263 332 G CA 0.949 45.946 45.100 -0.172 0.000 0.928 332 G HN 2.317 nan 8.290 nan 0.000 0.572 333 C N -0.596 118.434 119.300 -0.451 0.000 2.707 333 C HA 0.921 5.386 4.460 0.008 0.000 0.313 333 C C 0.376 175.057 174.990 -0.515 0.000 1.209 333 C CA -0.568 58.103 59.018 -0.578 0.000 1.635 333 C CB 1.769 28.851 27.740 -1.097 0.000 2.206 333 C HN 0.982 nan 8.230 nan 0.000 0.485 334 R N 1.202 121.530 120.500 -0.288 0.000 2.514 334 R HA 0.622 4.967 4.340 0.008 0.000 0.296 334 R C -1.110 175.158 176.300 -0.054 0.000 1.012 334 R CA -0.097 55.926 56.100 -0.128 0.000 0.897 334 R CB 1.159 31.432 30.300 -0.045 0.000 1.184 334 R HN 0.946 nan 8.270 nan 0.000 0.440 335 A N 3.238 126.062 122.820 0.007 0.000 2.280 335 A HA 0.392 4.717 4.320 0.008 0.000 0.320 335 A C -0.590 177.046 177.584 0.087 0.000 1.366 335 A CA -0.449 51.594 52.037 0.010 0.000 0.938 335 A CB 0.969 19.910 19.000 -0.098 0.000 1.157 335 A HN 0.656 nan 8.150 nan 0.000 0.536 336 S N 2.203 117.961 115.700 0.098 0.000 2.474 336 S HA 0.398 4.873 4.470 0.008 0.000 0.276 336 S C 0.499 174.987 174.600 -0.188 0.000 1.227 336 S CA -0.289 57.782 58.200 -0.216 0.000 1.050 336 S CB 0.051 63.010 63.200 -0.401 0.000 0.939 336 S HN 0.730 nan 8.310 nan 0.000 0.490 337 I N 0.325 120.748 120.570 -0.246 0.000 3.064 337 I HA 0.401 4.576 4.170 0.008 0.000 0.340 337 I C -0.483 175.612 176.117 -0.036 0.000 1.405 337 I CA -0.868 60.385 61.300 -0.077 0.000 0.912 337 I CB -0.345 37.694 38.000 0.064 0.000 1.993 337 I HN 0.446 nan 8.210 nan 0.000 0.547 338 Y N 0.682 121.026 120.300 0.074 0.000 2.379 338 Y HA 0.004 4.559 4.550 0.008 0.000 0.354 338 Y C 1.809 177.747 175.900 0.063 0.000 1.269 338 Y CA -0.267 57.870 58.100 0.061 0.000 1.532 338 Y CB 0.079 38.559 38.460 0.034 0.000 1.371 338 Y HN 0.274 nan 8.280 nan 0.000 0.666 339 N N 0.631 119.493 118.700 0.270 0.000 2.069 339 N HA -0.244 4.501 4.740 0.008 0.000 0.196 339 N C 1.531 177.191 175.510 0.250 0.000 1.024 339 N CA 1.803 55.003 53.050 0.249 0.000 0.869 339 N CB -0.614 38.035 38.487 0.269 0.000 1.035 339 N HN 0.708 nan 8.380 nan 0.000 0.434 340 A N 0.241 123.118 122.820 0.095 0.000 2.218 340 A HA 0.159 4.484 4.320 0.008 0.000 0.209 340 A C 0.585 178.142 177.584 -0.046 0.000 1.168 340 A CA -0.135 51.843 52.037 -0.099 0.000 0.804 340 A CB 0.132 18.944 19.000 -0.314 0.000 0.834 340 A HN 0.028 nan 8.150 nan 0.000 0.482 341 V N 3.352 123.264 119.914 -0.003 0.000 2.485 341 V HA 0.144 4.269 4.120 0.008 0.000 0.287 341 V C -2.023 174.060 176.094 -0.018 0.000 1.022 341 V CA -1.137 61.112 62.300 -0.084 0.000 1.067 341 V CB 0.485 32.212 31.823 -0.161 0.000 0.967 341 V HN 0.335 nan 8.190 nan 0.000 0.479 342 P HA 0.338 nan 4.420 nan 0.000 0.279 342 P C 1.118 178.451 177.300 0.055 0.000 1.252 342 P CA -0.444 62.688 63.100 0.053 0.000 0.811 342 P CB 1.255 32.988 31.700 0.056 0.000 1.035 343 I N 0.293 120.909 120.570 0.077 0.000 2.264 343 I HA -0.247 3.928 4.170 0.008 0.000 0.248 343 I C 1.425 177.587 176.117 0.076 0.000 1.111 343 I CA 1.649 62.993 61.300 0.073 0.000 1.382 343 I CB -0.568 37.472 38.000 0.067 0.000 1.060 343 I HN 0.295 nan 8.210 nan 0.000 0.418 344 D N 1.087 121.536 120.400 0.083 0.000 2.178 344 D HA -0.129 4.516 4.640 0.008 0.000 0.201 344 D C 2.234 178.596 176.300 0.103 0.000 0.980 344 D CA 1.377 55.434 54.000 0.095 0.000 0.842 344 D CB -0.046 40.824 40.800 0.116 0.000 0.948 344 D HN 0.351 nan 8.370 nan 0.000 0.472 345 A N -0.042 122.851 122.820 0.123 0.000 1.930 345 A HA -0.163 4.161 4.320 0.008 0.000 0.217 345 A C 2.452 180.172 177.584 0.227 0.000 1.175 345 A CA 1.143 53.256 52.037 0.127 0.000 0.627 345 A CB -0.787 18.223 19.000 0.017 0.000 0.815 345 A HN 0.359 nan 8.150 nan 0.000 0.443 346 C N -0.653 118.779 119.300 0.220 0.000 2.440 346 C HA -0.001 4.464 4.460 0.008 0.000 0.278 346 C C 2.518 177.567 174.990 0.098 0.000 1.295 346 C CA 0.702 59.867 59.018 0.245 0.000 1.738 346 C CB -1.314 26.522 27.740 0.161 0.000 1.987 346 C HN 0.617 nan 8.230 nan 0.000 0.492 347 I N 1.647 122.254 120.570 0.061 0.000 2.226 347 I HA -0.217 3.958 4.170 0.008 0.000 0.245 347 I C 2.781 178.898 176.117 0.000 0.000 1.100 347 I CA 1.609 62.923 61.300 0.024 0.000 1.374 347 I CB -0.548 37.471 38.000 0.032 0.000 1.057 347 I HN 0.279 nan 8.210 nan 0.000 0.413 348 A N 0.695 123.488 122.820 -0.045 0.000 1.902 348 A HA -0.221 4.103 4.320 0.008 0.000 0.217 348 A C 2.245 179.856 177.584 0.045 0.000 1.181 348 A CA 1.506 53.474 52.037 -0.115 0.000 0.623 348 A CB -0.766 17.803 19.000 -0.718 0.000 0.818 348 A HN 0.378 nan 8.150 nan 0.000 0.443 349 L N 0.151 121.414 121.223 0.065 0.000 2.017 349 L HA -0.158 4.186 4.340 0.008 0.000 0.208 349 L C 2.470 179.221 176.870 -0.198 0.000 1.073 349 L CA 2.561 57.283 54.840 -0.195 0.000 0.745 349 L CB -0.751 41.165 42.059 -0.239 0.000 0.894 349 L HN 0.519 nan 8.230 nan 0.000 0.432 350 R N -0.655 119.771 120.500 -0.123 0.000 2.094 350 R HA -0.206 4.139 4.340 0.008 0.000 0.239 350 R C 2.055 178.315 176.300 -0.067 0.000 1.137 350 R CA 1.919 57.947 56.100 -0.121 0.000 0.943 350 R CB -0.284 29.972 30.300 -0.075 0.000 0.850 350 R HN 0.417 nan 8.270 nan 0.000 0.433 351 E N 0.692 120.877 120.200 -0.024 0.000 2.110 351 E HA -0.193 4.162 4.350 0.008 0.000 0.193 351 E C 1.987 178.611 176.600 0.040 0.000 0.988 351 E CA 0.905 57.314 56.400 0.015 0.000 0.804 351 E CB -0.339 29.381 29.700 0.033 0.000 0.745 351 E HN 0.342 nan 8.360 nan 0.000 0.458 352 L N 0.274 121.509 121.223 0.020 0.000 2.056 352 L HA -0.104 4.241 4.340 0.008 0.000 0.207 352 L C 2.330 179.287 176.870 0.144 0.000 1.078 352 L CA 1.466 56.331 54.840 0.041 0.000 0.749 352 L CB -0.313 41.652 42.059 -0.156 0.000 0.901 352 L HN 0.047 nan 8.230 nan 0.000 0.433 353 M N -0.954 118.693 119.600 0.078 0.000 2.108 353 M HA -0.248 4.237 4.480 0.008 0.000 0.261 353 M C 2.238 178.690 176.300 0.253 0.000 1.066 353 M CA 2.029 57.413 55.300 0.141 0.000 1.107 353 M CB -0.408 31.977 32.600 -0.359 0.000 1.356 353 M HN 0.281 nan 8.290 nan 0.000 0.406 354 I N -0.284 120.351 120.570 0.108 0.000 2.252 354 I HA -0.307 3.867 4.170 0.008 0.000 0.245 354 I C 2.711 178.872 176.117 0.073 0.000 1.102 354 I CA 1.387 62.736 61.300 0.081 0.000 1.385 354 I CB -0.389 37.629 38.000 0.029 0.000 1.064 354 I HN 0.423 nan 8.210 nan 0.000 0.414 355 Q N 0.604 120.466 119.800 0.103 0.000 2.119 355 Q HA -0.261 4.083 4.340 0.008 0.000 0.201 355 Q C 2.283 178.347 176.000 0.106 0.000 0.972 355 Q CA 1.740 57.594 55.803 0.085 0.000 0.847 355 Q CB -0.228 28.570 28.738 0.100 0.000 0.903 355 Q HN 0.454 nan 8.270 nan 0.000 0.433 356 F N 1.593 121.599 119.950 0.094 0.000 2.171 356 F HA -0.122 4.408 4.527 0.006 0.000 0.300 356 F C 2.312 178.096 175.800 -0.027 0.000 1.090 356 F CA 1.855 59.941 58.000 0.143 0.000 1.293 356 F CB -0.066 39.175 39.000 0.401 0.000 1.013 356 F HN 0.028 nan 8.300 nan 0.000 0.486 357 K N 0.079 120.434 120.400 -0.076 0.000 2.097 357 K HA -0.176 4.149 4.320 0.008 0.000 0.206 357 K C 1.931 178.207 176.600 -0.539 0.000 1.049 357 K CA 1.634 57.440 56.287 -0.801 0.000 0.933 357 K CB -0.172 31.856 32.500 -0.787 0.000 0.717 357 K HN 0.170 nan 8.250 nan 0.000 0.442 358 E N 0.650 120.686 120.200 -0.273 0.000 2.150 358 E HA -0.113 4.241 4.350 0.008 0.000 0.193 358 E C 1.267 177.755 176.600 -0.187 0.000 0.985 358 E CA 0.820 57.105 56.400 -0.193 0.000 0.814 358 E CB -0.098 29.539 29.700 -0.104 0.000 0.752 358 E HN 0.372 nan 8.360 nan 0.000 0.466 359 N N 0.323 118.894 118.700 -0.215 0.000 2.336 359 N HA 0.081 4.826 4.740 0.008 0.000 0.189 359 N C 0.281 175.633 175.510 -0.265 0.000 1.113 359 N CA 0.165 53.095 53.050 -0.200 0.000 0.858 359 N CB 0.330 38.716 38.487 -0.168 0.000 0.970 359 N HN 0.037 nan 8.380 nan 0.000 0.471 360 A N 0.000 122.623 122.820 -0.328 0.000 2.254 360 A HA 0.000 4.325 4.320 0.008 0.000 0.244 360 A CA 0.000 51.884 52.037 -0.256 0.000 0.836 360 A CB 0.000 18.906 19.000 -0.157 0.000 0.831 360 A HN 0.000 nan 8.150 nan 0.000 0.486