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 2ar9_1_A DATA FIRST_RESID 140 DATA SEQUENCE GALESLRGNA DLAYILSMEP CGHCLIINNV NFCRESGLRT RTGSNIDCEK DATA SEQUENCE LRRRFSSLHF MVEVKGDLTA KKMVLALLEL ARQDHGALDC CVVVILSHGC DATA SEQUENCE QASHLQFPGA VYGTDGCPVS VEKIVNIFNG TSCPSLGGKP KLFFIQASXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXLPTPS DATA SEQUENCE DIFVSYSTFP GFVSWRDPKS GSWYVETLDD IFEQWAHSED LQSLLLRVAN DATA SEQUENCE AVSVKGIYKQ MPCIVSMLRK KLFFKTS 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 140 G HA2 0.000 nan 3.960 nan 0.000 0.244 140 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 140 G C 0.000 174.877 174.900 -0.038 0.000 0.946 140 G CA 0.000 45.082 45.100 -0.031 0.000 0.502 141 A N 0.951 123.751 122.820 -0.034 0.000 1.877 141 A HA 0.187 4.507 4.320 -0.001 0.000 0.216 141 A C 2.349 179.901 177.584 -0.053 0.000 1.186 141 A CA 2.053 54.069 52.037 -0.035 0.000 0.620 141 A CB -0.498 18.488 19.000 -0.024 0.000 0.822 141 A HN 1.008 nan 8.150 nan 0.000 0.443 142 L N 0.076 121.260 121.223 -0.066 0.000 2.043 142 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 142 L C 1.947 178.712 176.870 -0.175 0.000 1.075 142 L CA 2.751 57.524 54.840 -0.112 0.000 0.752 142 L CB -0.618 41.374 42.059 -0.112 0.000 0.891 142 L HN 0.447 nan 8.230 nan 0.000 0.432 143 E N -1.356 118.764 120.200 -0.133 0.000 2.285 143 E HA -0.047 4.302 4.350 -0.001 0.000 0.194 143 E C 2.214 178.747 176.600 -0.112 0.000 0.997 143 E CA 0.927 57.244 56.400 -0.138 0.000 0.845 143 E CB -0.179 29.465 29.700 -0.093 0.000 0.782 143 E HN 0.369 nan 8.360 nan 0.000 0.491 144 S N -0.134 115.517 115.700 -0.082 0.000 2.528 144 S HA 0.133 4.603 4.470 -0.001 0.000 0.219 144 S C 1.254 175.823 174.600 -0.051 0.000 0.985 144 S CA 0.013 58.179 58.200 -0.057 0.000 0.914 144 S CB 0.105 63.281 63.200 -0.039 0.000 0.776 144 S HN 0.208 nan 8.310 nan 0.000 0.526 145 L N 1.193 122.378 121.223 -0.065 0.000 2.189 145 L HA 0.258 4.597 4.340 -0.001 0.000 0.199 145 L C 1.963 178.814 176.870 -0.031 0.000 1.074 145 L CA 1.231 56.058 54.840 -0.022 0.000 0.783 145 L CB -0.863 41.205 42.059 0.015 0.000 0.955 145 L HN 0.169 nan 8.230 nan 0.000 0.460 146 R N -0.047 120.334 120.500 -0.200 0.000 2.170 146 R HA -0.149 4.190 4.340 -0.001 0.000 0.242 146 R C 1.939 178.167 176.300 -0.119 0.000 1.145 146 R CA 1.327 57.215 56.100 -0.353 0.000 0.984 146 R CB -0.560 29.299 30.300 -0.735 0.000 0.869 146 R HN 0.546 nan 8.270 nan 0.000 0.455 147 G N 0.046 108.789 108.800 -0.094 0.000 2.939 147 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.210 147 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.210 147 G C 0.235 175.122 174.900 -0.022 0.000 1.160 147 G CA -0.411 44.659 45.100 -0.050 0.000 0.770 147 G HN 0.112 nan 8.290 nan 0.000 0.543 148 N N 1.426 120.117 118.700 -0.015 0.000 2.405 148 N HA 0.308 5.047 4.740 -0.001 0.000 0.260 148 N C 1.342 176.847 175.510 -0.008 0.000 1.152 148 N CA 0.237 53.281 53.050 -0.010 0.000 0.948 148 N CB 1.457 39.939 38.487 -0.009 0.000 1.111 148 N HN 0.014 nan 8.380 nan 0.000 0.485 149 A N 3.304 126.117 122.820 -0.012 0.000 2.121 149 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 149 A C 1.281 178.838 177.584 -0.045 0.000 1.154 149 A CA 0.925 52.952 52.037 -0.017 0.000 0.679 149 A CB 0.098 19.095 19.000 -0.005 0.000 0.795 149 A HN 0.644 nan 8.150 nan 0.000 0.458 150 D N -0.970 119.403 120.400 -0.044 0.000 2.350 150 D HA 0.161 4.801 4.640 -0.001 0.000 0.213 150 D C 1.294 177.544 176.300 -0.083 0.000 1.031 150 D CA 0.478 54.442 54.000 -0.059 0.000 0.861 150 D CB 0.391 41.169 40.800 -0.037 0.000 0.926 150 D HN 0.438 nan 8.370 nan 0.000 0.520 151 L N -0.626 120.552 121.223 -0.074 0.000 2.878 151 L HA 0.403 4.742 4.340 -0.001 0.000 0.253 151 L C 0.320 177.131 176.870 -0.099 0.000 1.135 151 L CA -0.090 54.704 54.840 -0.077 0.000 0.943 151 L CB 0.903 42.946 42.059 -0.026 0.000 1.307 151 L HN -0.171 nan 8.230 nan 0.000 0.545 152 A N -1.143 121.621 122.820 -0.093 0.000 2.486 152 A HA 0.613 4.933 4.320 -0.001 0.000 0.300 152 A C -1.705 175.830 177.584 -0.082 0.000 1.048 152 A CA -0.358 51.645 52.037 -0.057 0.000 0.696 152 A CB 0.661 19.758 19.000 0.162 0.000 1.278 152 A HN 0.086 nan 8.150 nan 0.000 0.405 153 Y N 2.908 123.208 120.300 0.001 0.000 2.637 153 Y HA 0.167 4.716 4.550 -0.001 0.000 0.350 153 Y C 0.752 176.666 175.900 0.022 0.000 1.069 153 Y CA -0.354 57.746 58.100 0.000 0.000 1.397 153 Y CB 0.108 38.551 38.460 -0.029 0.000 1.163 153 Y HN 0.364 nan 8.280 nan 0.000 0.527 154 I N 5.743 126.405 120.570 0.154 0.000 2.680 154 I HA -0.114 4.055 4.170 -0.001 0.000 0.286 154 I C -0.084 176.088 176.117 0.092 0.000 1.144 154 I CA -0.025 61.336 61.300 0.101 0.000 1.370 154 I CB -0.296 37.742 38.000 0.063 0.000 1.420 154 I HN 0.438 nan 8.210 nan 0.000 0.540 155 L N 7.093 128.361 121.223 0.075 0.000 2.512 155 L HA 0.141 4.481 4.340 -0.001 0.000 0.247 155 L C 1.556 178.430 176.870 0.007 0.000 1.204 155 L CA 0.397 55.262 54.840 0.041 0.000 1.153 155 L CB 0.070 42.153 42.059 0.040 0.000 1.415 155 L HN 0.703 nan 8.230 nan 0.000 0.406 156 S N -0.030 115.678 115.700 0.013 0.000 2.456 156 S HA 0.159 4.628 4.470 -0.001 0.000 0.224 156 S C 1.134 175.733 174.600 -0.002 0.000 1.035 156 S CA -0.182 58.019 58.200 0.001 0.000 0.940 156 S CB 0.096 63.301 63.200 0.009 0.000 0.799 156 S HN 0.278 nan 8.310 nan 0.000 0.508 157 M N 2.067 121.668 119.600 0.001 0.000 2.245 157 M HA 0.403 4.882 4.480 -0.001 0.000 0.312 157 M C -0.077 176.222 176.300 -0.001 0.000 1.070 157 M CA 0.589 55.889 55.300 0.001 0.000 1.162 157 M CB -0.225 32.376 32.600 0.002 0.000 1.448 157 M HN 0.288 nan 8.290 nan 0.000 0.446 158 E N 2.782 122.987 120.200 0.008 0.000 2.316 158 E HA 0.466 4.815 4.350 -0.001 0.000 0.254 158 E C -2.294 174.302 176.600 -0.007 0.000 0.902 158 E CA -1.383 55.035 56.400 0.030 0.000 0.801 158 E CB 0.824 30.557 29.700 0.055 0.000 1.270 158 E HN 0.403 nan 8.360 nan 0.000 0.414 159 P HA 0.080 nan 4.420 nan 0.000 0.272 159 P C 0.714 177.960 177.300 -0.090 0.000 1.240 159 P CA -0.464 62.603 63.100 -0.055 0.000 0.791 159 P CB 1.335 32.983 31.700 -0.085 0.000 0.978 160 C N 0.007 119.194 119.300 -0.187 0.000 2.453 160 C HA 0.311 4.770 4.460 -0.001 0.000 0.277 160 C C 1.278 176.171 174.990 -0.162 0.000 1.262 160 C CA 1.565 60.412 59.018 -0.285 0.000 1.718 160 C CB -1.203 26.108 27.740 -0.715 0.000 2.031 160 C HN 0.913 nan 8.230 nan 0.000 0.480 161 G N -2.018 106.714 108.800 -0.114 0.000 2.341 161 G HA2 0.310 4.269 3.960 -0.001 0.000 0.299 161 G HA3 0.310 4.269 3.960 -0.001 0.000 0.299 161 G C -1.675 173.327 174.900 0.170 0.000 1.274 161 G CA -0.555 44.605 45.100 0.099 0.000 0.853 161 G HN 0.383 nan 8.290 nan 0.000 0.493 162 H N -1.161 118.089 119.070 0.300 0.000 2.481 162 H HA 0.545 5.101 4.556 -0.001 0.000 0.339 162 H C -0.509 174.886 175.328 0.113 0.000 1.131 162 H CA 0.179 56.345 56.048 0.197 0.000 1.301 162 H CB 1.800 31.647 29.762 0.143 0.000 1.476 162 H HN 0.589 nan 8.280 nan 0.000 0.529 163 C N 5.218 124.590 119.300 0.121 0.000 2.397 163 C HA 0.459 4.918 4.460 -0.001 0.000 0.325 163 C C -0.977 173.945 174.990 -0.114 0.000 1.201 163 C CA -0.763 58.134 59.018 -0.201 0.000 1.377 163 C CB -0.628 26.907 27.740 -0.342 0.000 2.038 163 C HN 0.639 nan 8.230 nan 0.000 0.457 164 L N 7.963 129.089 121.223 -0.162 0.000 2.319 164 L HA 0.720 5.060 4.340 -0.001 0.000 0.281 164 L C -0.752 176.055 176.870 -0.105 0.000 1.005 164 L CA -0.246 54.547 54.840 -0.079 0.000 0.828 164 L CB 1.073 43.118 42.059 -0.024 0.000 1.227 164 L HN 0.677 nan 8.230 nan 0.000 0.415 165 I N 6.408 126.936 120.570 -0.071 0.000 2.339 165 I HA 0.373 4.542 4.170 -0.001 0.000 0.290 165 I C -0.393 175.713 176.117 -0.019 0.000 0.994 165 I CA -0.421 60.845 61.300 -0.056 0.000 1.191 165 I CB 1.396 39.367 38.000 -0.048 0.000 1.343 165 I HN 0.502 nan 8.210 nan 0.000 0.458 166 I N 6.452 127.019 120.570 -0.004 0.000 2.330 166 I HA 0.222 4.392 4.170 -0.001 0.000 0.289 166 I C -0.026 176.096 176.117 0.009 0.000 1.001 166 I CA -0.190 61.115 61.300 0.008 0.000 1.193 166 I CB 0.957 38.972 38.000 0.026 0.000 1.345 166 I HN 0.631 nan 8.210 nan 0.000 0.461 167 N N 6.099 124.795 118.700 -0.006 0.000 2.476 167 N HA 0.285 5.024 4.740 -0.001 0.000 0.257 167 N C -1.104 174.380 175.510 -0.044 0.000 0.970 167 N CA -0.594 52.448 53.050 -0.013 0.000 0.938 167 N CB 0.730 39.207 38.487 -0.017 0.000 1.144 167 N HN 0.505 nan 8.380 nan 0.000 0.500 168 N N 2.736 121.410 118.700 -0.042 0.000 2.424 168 N HA 0.256 4.996 4.740 -0.001 0.000 0.271 168 N C 0.471 175.869 175.510 -0.187 0.000 0.985 168 N CA -0.392 52.567 53.050 -0.153 0.000 0.921 168 N CB 2.190 40.614 38.487 -0.103 0.000 1.149 168 N HN 0.238 nan 8.380 nan 0.000 0.492 169 V N 0.799 120.530 119.914 -0.305 0.000 3.137 169 V HA 0.217 4.336 4.120 -0.001 0.000 0.236 169 V C 0.101 176.048 176.094 -0.245 0.000 1.260 169 V CA 0.289 62.490 62.300 -0.165 0.000 1.244 169 V CB 0.101 31.877 31.823 -0.079 0.000 1.016 169 V HN 0.525 nan 8.190 nan 0.000 0.477 170 N N 1.436 119.901 118.700 -0.391 0.000 2.457 170 N HA 0.485 5.224 4.740 -0.001 0.000 0.250 170 N C -1.474 173.769 175.510 -0.445 0.000 0.982 170 N CA 0.011 52.907 53.050 -0.256 0.000 0.941 170 N CB 1.277 39.683 38.487 -0.134 0.000 1.120 170 N HN 0.204 nan 8.380 nan 0.000 0.505 171 F N 1.010 120.971 119.950 0.018 0.000 2.421 171 F HA 0.287 4.814 4.527 -0.001 0.000 0.337 171 F C 1.491 177.287 175.800 -0.006 0.000 1.105 171 F CA -1.273 56.735 58.000 0.014 0.000 1.049 171 F CB 0.614 39.630 39.000 0.026 0.000 1.139 171 F HN 0.416 nan 8.300 nan 0.000 0.479 172 C N 2.800 122.173 119.300 0.122 0.000 2.702 172 C HA 0.143 4.602 4.460 -0.001 0.000 0.411 172 C C 2.228 177.257 174.990 0.064 0.000 1.286 172 C CA -0.829 58.227 59.018 0.064 0.000 1.979 172 C CB 0.151 27.916 27.740 0.041 0.000 2.728 172 C HN 1.113 nan 8.230 nan 0.000 0.652 173 R N 1.231 121.751 120.500 0.033 0.000 2.096 173 R HA -0.212 4.127 4.340 -0.001 0.000 0.240 173 R C 2.193 178.493 176.300 -0.001 0.000 1.139 173 R CA 2.523 58.633 56.100 0.016 0.000 0.952 173 R CB -0.601 29.703 30.300 0.007 0.000 0.854 173 R HN 0.980 nan 8.270 nan 0.000 0.436 174 E N 0.306 120.504 120.200 -0.003 0.000 2.118 174 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 174 E C 1.892 178.469 176.600 -0.039 0.000 0.992 174 E CA 1.754 58.143 56.400 -0.017 0.000 0.804 174 E CB -0.038 29.656 29.700 -0.011 0.000 0.741 174 E HN 0.567 nan 8.360 nan 0.000 0.458 175 S N -0.857 114.821 115.700 -0.036 0.000 2.370 175 S HA -0.092 4.378 4.470 -0.001 0.000 0.226 175 S C 1.854 176.359 174.600 -0.157 0.000 1.033 175 S CA 1.322 59.463 58.200 -0.097 0.000 1.011 175 S CB -0.517 62.643 63.200 -0.067 0.000 0.852 175 S HN 0.586 nan 8.310 nan 0.000 0.457 176 G N 0.603 109.332 108.800 -0.118 0.000 2.175 176 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.244 176 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.244 176 G C -0.075 174.694 174.900 -0.218 0.000 0.982 176 G CA 0.164 45.178 45.100 -0.143 0.000 0.641 176 G HN 0.581 nan 8.290 nan 0.000 0.527 177 L N 1.473 122.526 121.223 -0.284 0.000 2.313 177 L HA 0.396 4.736 4.340 -0.001 0.000 0.282 177 L C 1.311 178.058 176.870 -0.206 0.000 1.092 177 L CA -0.746 53.799 54.840 -0.492 0.000 0.831 177 L CB 0.599 42.093 42.059 -0.942 0.000 1.159 177 L HN 0.130 nan 8.230 nan 0.000 0.442 178 R N 1.884 122.295 120.500 -0.148 0.000 2.570 178 R HA 0.092 4.432 4.340 -0.001 0.000 0.277 178 R C 0.135 176.557 176.300 0.204 0.000 1.039 178 R CA -0.235 55.886 56.100 0.034 0.000 1.065 178 R CB 0.217 30.516 30.300 -0.001 0.000 0.964 178 R HN 0.520 nan 8.270 nan 0.000 0.428 179 T N 3.658 118.330 114.554 0.196 0.000 2.923 179 T HA -0.062 4.287 4.350 -0.001 0.000 0.304 179 T C 0.613 175.414 174.700 0.169 0.000 1.044 179 T CA 0.416 62.651 62.100 0.225 0.000 1.141 179 T CB 0.200 69.138 68.868 0.118 0.000 1.023 179 T HN 0.349 nan 8.240 nan 0.000 0.533 180 R N 3.026 123.628 120.500 0.171 0.000 2.870 180 R HA 0.174 4.514 4.340 -0.001 0.000 0.254 180 R C 0.276 176.594 176.300 0.030 0.000 1.392 180 R CA -0.358 55.778 56.100 0.061 0.000 1.322 180 R CB -0.072 30.242 30.300 0.024 0.000 1.205 180 R HN 0.545 nan 8.270 nan 0.000 0.597 181 T N 0.847 115.416 114.554 0.026 0.000 2.928 181 T HA 0.131 4.480 4.350 -0.001 0.000 0.305 181 T C 1.514 176.220 174.700 0.010 0.000 1.035 181 T CA 1.292 63.402 62.100 0.017 0.000 1.145 181 T CB 1.103 69.981 68.868 0.017 0.000 0.963 181 T HN 0.878 nan 8.240 nan 0.000 0.545 182 G N 2.315 111.122 108.800 0.011 0.000 2.304 182 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.252 182 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.252 182 G C 1.437 176.343 174.900 0.010 0.000 1.014 182 G CA 0.935 46.042 45.100 0.012 0.000 0.619 182 G HN 0.799 nan 8.290 nan 0.000 0.525 183 S N 0.401 116.104 115.700 0.005 0.000 2.420 183 S HA -0.161 4.309 4.470 -0.001 0.000 0.237 183 S C 2.117 176.719 174.600 0.003 0.000 1.023 183 S CA 2.239 60.442 58.200 0.005 0.000 0.991 183 S CB -0.314 62.885 63.200 -0.001 0.000 0.792 183 S HN 0.603 nan 8.310 nan 0.000 0.488 184 N N 1.456 120.156 118.700 -0.001 0.000 2.216 184 N HA 0.057 4.797 4.740 -0.001 0.000 0.183 184 N C 1.749 177.258 175.510 -0.002 0.000 1.017 184 N CA 1.414 54.462 53.050 -0.004 0.000 0.861 184 N CB -0.444 38.039 38.487 -0.006 0.000 0.986 184 N HN 0.758 nan 8.380 nan 0.000 0.428 185 I N -1.656 118.915 120.570 0.002 0.000 2.315 185 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 185 I C 0.975 177.091 176.117 -0.002 0.000 1.117 185 I CA 1.496 62.797 61.300 0.002 0.000 1.404 185 I CB -0.241 37.764 38.000 0.008 0.000 1.071 185 I HN -0.148 nan 8.210 nan 0.000 0.419 186 D N 1.196 121.598 120.400 0.003 0.000 2.078 186 D HA -0.196 4.444 4.640 -0.001 0.000 0.193 186 D C 2.350 178.645 176.300 -0.010 0.000 0.990 186 D CA 1.770 55.769 54.000 -0.001 0.000 0.827 186 D CB -0.766 40.045 40.800 0.018 0.000 0.975 186 D HN 0.545 nan 8.370 nan 0.000 0.451 187 C N 1.787 121.086 119.300 -0.002 0.000 2.349 187 C HA -0.205 4.254 4.460 -0.001 0.000 0.274 187 C C 2.505 177.491 174.990 -0.007 0.000 1.178 187 C CA 1.309 60.326 59.018 -0.003 0.000 1.769 187 C CB -0.845 26.893 27.740 -0.003 0.000 2.047 187 C HN 0.280 nan 8.230 nan 0.000 0.448 188 E N 0.615 120.810 120.200 -0.009 0.000 2.160 188 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 188 E C 2.182 178.769 176.600 -0.022 0.000 0.991 188 E CA 1.179 57.572 56.400 -0.011 0.000 0.810 188 E CB -0.489 29.205 29.700 -0.010 0.000 0.742 188 E HN 0.732 nan 8.360 nan 0.000 0.466 189 K N 0.479 120.859 120.400 -0.034 0.000 2.026 189 K HA -0.064 4.255 4.320 -0.001 0.000 0.208 189 K C 2.424 178.976 176.600 -0.081 0.000 1.048 189 K CA 0.923 57.174 56.287 -0.060 0.000 0.929 189 K CB -0.232 32.225 32.500 -0.072 0.000 0.713 189 K HN 0.116 nan 8.250 nan 0.000 0.439 190 L N 0.611 121.794 121.223 -0.066 0.000 2.017 190 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 190 L C 2.804 179.706 176.870 0.054 0.000 1.073 190 L CA 1.149 55.966 54.840 -0.037 0.000 0.745 190 L CB -0.572 41.497 42.059 0.016 0.000 0.894 190 L HN 0.252 nan 8.230 nan 0.000 0.432 191 R N 0.632 121.156 120.500 0.040 0.000 2.113 191 R HA -0.258 4.082 4.340 -0.001 0.000 0.244 191 R C 2.443 178.774 176.300 0.051 0.000 1.142 191 R CA 2.075 58.209 56.100 0.056 0.000 0.953 191 R CB -0.190 30.124 30.300 0.024 0.000 0.860 191 R HN 0.212 nan 8.270 nan 0.000 0.438 192 R N -0.175 120.327 120.500 0.004 0.000 2.070 192 R HA -0.172 4.167 4.340 -0.001 0.000 0.233 192 R C 2.504 178.781 176.300 -0.039 0.000 1.137 192 R CA 1.992 58.082 56.100 -0.016 0.000 0.945 192 R CB -0.288 29.991 30.300 -0.034 0.000 0.845 192 R HN 0.068 nan 8.270 nan 0.000 0.430 193 R N 0.091 120.527 120.500 -0.106 0.000 2.094 193 R HA -0.145 4.195 4.340 -0.001 0.000 0.239 193 R C 1.895 178.040 176.300 -0.258 0.000 1.137 193 R CA 1.991 57.955 56.100 -0.227 0.000 0.943 193 R CB -0.981 29.075 30.300 -0.407 0.000 0.850 193 R HN 0.240 nan 8.270 nan 0.000 0.433 194 F N 0.284 120.187 119.950 -0.078 0.000 2.365 194 F HA -0.093 4.434 4.527 0.000 0.000 0.300 194 F C 2.397 178.290 175.800 0.155 0.000 1.090 194 F CA 1.396 59.404 58.000 0.013 0.000 1.408 194 F CB -0.048 38.881 39.000 -0.119 0.000 1.060 194 F HN 0.052 nan 8.300 nan 0.000 0.534 195 S N -1.052 114.760 115.700 0.186 0.000 2.371 195 S HA -0.187 4.282 4.470 -0.001 0.000 0.224 195 S C 2.242 176.889 174.600 0.078 0.000 1.029 195 S CA 1.162 59.437 58.200 0.125 0.000 0.978 195 S CB -0.499 62.735 63.200 0.056 0.000 0.833 195 S HN 0.358 nan 8.310 nan 0.000 0.466 196 S N 1.662 117.388 115.700 0.045 0.000 2.353 196 S HA -0.009 4.460 4.470 -0.001 0.000 0.222 196 S C 1.425 176.114 174.600 0.148 0.000 1.035 196 S CA 0.990 59.216 58.200 0.043 0.000 1.025 196 S CB -0.501 62.690 63.200 -0.016 0.000 0.902 196 S HN 0.468 nan 8.310 nan 0.000 0.440 197 L N 1.391 122.677 121.223 0.106 0.000 2.737 197 L HA 0.145 4.485 4.340 -0.001 0.000 0.246 197 L C 0.296 177.290 176.870 0.207 0.000 1.153 197 L CA 0.549 55.467 54.840 0.129 0.000 0.920 197 L CB -1.126 40.911 42.059 -0.037 0.000 1.090 197 L HN 0.551 nan 8.230 nan 0.000 0.430 198 H N -3.022 116.034 119.070 -0.023 0.000 2.936 198 H HA -0.166 4.389 4.556 -0.001 0.000 0.276 198 H C 0.031 175.223 175.328 -0.225 0.000 1.216 198 H CA 0.035 56.013 56.048 -0.117 0.000 1.132 198 H CB -1.768 27.897 29.762 -0.163 0.000 1.303 198 H HN 0.268 nan 8.280 nan 0.000 0.370 199 F N 0.271 120.311 119.950 0.151 0.000 2.411 199 F HA 0.421 4.947 4.527 -0.001 0.000 0.324 199 F C 1.097 176.921 175.800 0.040 0.000 1.086 199 F CA -0.838 57.224 58.000 0.103 0.000 1.028 199 F CB 0.791 39.875 39.000 0.140 0.000 1.284 199 F HN -0.114 nan 8.300 nan 0.000 0.501 200 M N 2.424 122.164 119.600 0.233 0.000 2.055 200 M HA 0.364 4.843 4.480 -0.001 0.000 0.347 200 M C -1.359 175.034 176.300 0.155 0.000 1.123 200 M CA -0.559 54.813 55.300 0.121 0.000 1.035 200 M CB 0.962 33.580 32.600 0.030 0.000 1.484 200 M HN 0.119 nan 8.290 nan 0.000 0.428 201 V N 2.772 122.757 119.914 0.119 0.000 2.394 201 V HA 0.400 4.519 4.120 -0.001 0.000 0.282 201 V C -0.121 176.007 176.094 0.057 0.000 1.031 201 V CA -0.578 61.770 62.300 0.080 0.000 0.881 201 V CB 1.463 33.333 31.823 0.079 0.000 0.982 201 V HN 0.796 nan 8.190 nan 0.000 0.451 202 E N 3.665 123.890 120.200 0.041 0.000 2.234 202 E HA 0.647 4.997 4.350 -0.001 0.000 0.266 202 E C -1.724 174.882 176.600 0.010 0.000 0.877 202 E CA -0.510 55.908 56.400 0.031 0.000 0.758 202 E CB 2.422 32.145 29.700 0.039 0.000 1.170 202 E HN 0.458 nan 8.360 nan 0.000 0.415 203 V N 3.802 123.719 119.914 0.006 0.000 2.713 203 V HA 0.493 4.612 4.120 -0.001 0.000 0.307 203 V C -0.359 175.733 176.094 -0.003 0.000 1.052 203 V CA -0.719 61.580 62.300 -0.002 0.000 0.967 203 V CB 1.844 33.666 31.823 -0.003 0.000 1.019 203 V HN 0.586 nan 8.190 nan 0.000 0.459 204 K N 2.482 122.878 120.400 -0.007 0.000 2.613 204 K HA 0.485 4.805 4.320 -0.001 0.000 0.248 204 K C -0.167 176.422 176.600 -0.018 0.000 0.959 204 K CA -0.204 56.077 56.287 -0.009 0.000 0.855 204 K CB 2.026 34.524 32.500 -0.002 0.000 1.143 204 K HN 0.893 nan 8.250 nan 0.000 0.437 205 G N 1.398 110.182 108.800 -0.027 0.000 2.389 205 G HA2 0.317 4.277 3.960 -0.001 0.000 0.317 205 G HA3 0.317 4.277 3.960 -0.001 0.000 0.317 205 G C -0.599 174.264 174.900 -0.061 0.000 1.137 205 G CA -0.341 44.733 45.100 -0.044 0.000 0.870 205 G HN 0.590 nan 8.290 nan 0.000 0.496 206 D N -0.358 119.983 120.400 -0.099 0.000 3.218 206 D HA -0.159 4.480 4.640 -0.001 0.000 0.213 206 D C -0.020 176.226 176.300 -0.089 0.000 1.192 206 D CA 1.070 54.987 54.000 -0.139 0.000 0.940 206 D CB -0.452 40.259 40.800 -0.149 0.000 0.841 206 D HN 0.192 nan 8.370 nan 0.000 0.391 207 L N 0.940 122.124 121.223 -0.066 0.000 2.342 207 L HA 0.415 4.754 4.340 -0.001 0.000 0.271 207 L C 1.208 178.071 176.870 -0.013 0.000 1.008 207 L CA -0.835 53.987 54.840 -0.029 0.000 0.818 207 L CB 1.923 43.977 42.059 -0.008 0.000 1.296 207 L HN 0.191 nan 8.230 nan 0.000 0.427 208 T N -1.198 113.356 114.554 -0.000 0.000 2.882 208 T HA 0.328 4.677 4.350 -0.001 0.000 0.287 208 T C 1.272 175.994 174.700 0.038 0.000 1.014 208 T CA -0.071 62.042 62.100 0.022 0.000 1.049 208 T CB 1.657 70.535 68.868 0.017 0.000 1.001 208 T HN 0.675 nan 8.240 nan 0.000 0.525 209 A N 1.313 124.168 122.820 0.059 0.000 1.929 209 A HA -0.254 4.066 4.320 -0.001 0.000 0.221 209 A C 2.281 179.886 177.584 0.036 0.000 1.211 209 A CA 2.421 54.493 52.037 0.059 0.000 0.657 209 A CB -1.045 17.995 19.000 0.067 0.000 0.827 209 A HN 0.966 nan 8.150 nan 0.000 0.462 210 K N -0.652 119.765 120.400 0.028 0.000 2.148 210 K HA -0.116 4.204 4.320 -0.001 0.000 0.204 210 K C 2.044 178.651 176.600 0.012 0.000 1.050 210 K CA 1.575 57.872 56.287 0.017 0.000 0.942 210 K CB -0.132 32.375 32.500 0.013 0.000 0.724 210 K HN 0.505 nan 8.250 nan 0.000 0.446 211 K N -0.057 120.350 120.400 0.013 0.000 2.116 211 K HA -0.004 4.315 4.320 -0.001 0.000 0.203 211 K C 2.131 178.739 176.600 0.013 0.000 1.052 211 K CA 1.047 57.338 56.287 0.008 0.000 0.952 211 K CB 0.021 32.523 32.500 0.003 0.000 0.729 211 K HN 0.117 nan 8.250 nan 0.000 0.446 212 M N 0.338 119.951 119.600 0.022 0.000 2.084 212 M HA -0.206 4.273 4.480 -0.001 0.000 0.259 212 M C 2.109 178.427 176.300 0.031 0.000 1.072 212 M CA 1.574 56.894 55.300 0.033 0.000 1.107 212 M CB -0.320 32.306 32.600 0.044 0.000 1.299 212 M HN -0.084 nan 8.290 nan 0.000 0.413 213 V N 0.660 120.587 119.914 0.023 0.000 2.688 213 V HA -0.262 3.857 4.120 -0.001 0.000 0.256 213 V C 2.156 178.245 176.094 -0.007 0.000 1.084 213 V CA 1.502 63.806 62.300 0.007 0.000 1.103 213 V CB -0.703 31.120 31.823 -0.000 0.000 0.688 213 V HN 0.471 nan 8.190 nan 0.000 0.480 214 L N -0.323 120.899 121.223 -0.001 0.000 2.131 214 L HA -0.011 4.328 4.340 -0.001 0.000 0.206 214 L C 2.490 179.357 176.870 -0.006 0.000 1.087 214 L CA 1.376 56.211 54.840 -0.008 0.000 0.767 214 L CB -0.372 41.685 42.059 -0.004 0.000 0.917 214 L HN 0.299 nan 8.230 nan 0.000 0.441 215 A N 0.010 122.836 122.820 0.009 0.000 1.898 215 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 215 A C 2.132 179.739 177.584 0.037 0.000 1.181 215 A CA 1.458 53.507 52.037 0.021 0.000 0.620 215 A CB -0.723 18.296 19.000 0.031 0.000 0.819 215 A HN 0.445 nan 8.150 nan 0.000 0.442 216 L N -0.582 120.670 121.223 0.049 0.000 2.017 216 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 216 L C 2.577 179.375 176.870 -0.119 0.000 1.073 216 L CA 1.237 56.111 54.840 0.058 0.000 0.745 216 L CB -0.680 41.421 42.059 0.069 0.000 0.894 216 L HN 0.361 nan 8.230 nan 0.000 0.432 217 L N -0.553 120.600 121.223 -0.116 0.000 2.083 217 L HA -0.206 4.134 4.340 -0.001 0.000 0.209 217 L C 2.556 179.375 176.870 -0.086 0.000 1.083 217 L CA 1.231 55.987 54.840 -0.139 0.000 0.752 217 L CB -0.525 41.482 42.059 -0.088 0.000 0.899 217 L HN 0.305 nan 8.230 nan 0.000 0.433 218 E N -0.039 120.136 120.200 -0.042 0.000 2.051 218 E HA -0.257 4.092 4.350 -0.001 0.000 0.192 218 E C 2.118 178.713 176.600 -0.009 0.000 0.991 218 E CA 1.099 57.484 56.400 -0.024 0.000 0.799 218 E CB -0.143 29.547 29.700 -0.016 0.000 0.748 218 E HN 0.231 nan 8.360 nan 0.000 0.449 219 L N 1.031 122.273 121.223 0.031 0.000 2.012 219 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 219 L C 2.188 179.207 176.870 0.248 0.000 1.073 219 L CA 2.132 57.042 54.840 0.117 0.000 0.748 219 L CB -0.699 41.527 42.059 0.279 0.000 0.891 219 L HN 0.033 nan 8.230 nan 0.000 0.431 220 A N -0.878 122.001 122.820 0.098 0.000 2.067 220 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 220 A C 2.474 180.109 177.584 0.084 0.000 1.158 220 A CA 1.364 53.425 52.037 0.040 0.000 0.661 220 A CB -0.673 18.090 19.000 -0.395 0.000 0.801 220 A HN 0.495 nan 8.150 nan 0.000 0.452 221 R N -0.458 120.062 120.500 0.034 0.000 2.276 221 R HA -0.009 4.331 4.340 -0.001 0.000 0.203 221 R C 0.377 176.704 176.300 0.044 0.000 1.017 221 R CA 0.209 56.323 56.100 0.025 0.000 1.010 221 R CB -0.051 30.244 30.300 -0.008 0.000 0.900 221 R HN 0.527 nan 8.270 nan 0.000 0.469 222 Q N 0.653 120.487 119.800 0.057 0.000 2.500 222 Q HA -0.025 4.314 4.340 -0.001 0.000 0.215 222 Q C -0.673 175.348 176.000 0.035 0.000 1.062 222 Q CA 0.224 56.008 55.803 -0.032 0.000 0.996 222 Q CB 0.649 29.229 28.738 -0.264 0.000 1.239 222 Q HN 0.037 nan 8.270 nan 0.000 0.578 223 D N 0.210 120.594 120.400 -0.026 0.000 2.485 223 D HA 0.069 4.708 4.640 -0.001 0.000 0.221 223 D C 0.151 176.465 176.300 0.023 0.000 1.112 223 D CA -0.083 53.943 54.000 0.043 0.000 0.911 223 D CB 0.011 40.833 40.800 0.037 0.000 1.019 223 D HN 0.369 nan 8.370 nan 0.000 0.516 224 H N 2.311 121.462 119.070 0.135 0.000 2.543 224 H HA 0.083 4.638 4.556 -0.001 0.000 0.269 224 H C 1.853 177.241 175.328 0.099 0.000 1.005 224 H CA 0.409 56.547 56.048 0.149 0.000 1.146 224 H CB 0.481 30.341 29.762 0.163 0.000 1.353 224 H HN 0.540 nan 8.280 nan 0.000 0.595 225 G N 1.434 110.332 108.800 0.163 0.000 2.606 225 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.221 225 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.221 225 G C 1.524 176.477 174.900 0.089 0.000 1.152 225 G CA 0.988 46.156 45.100 0.112 0.000 0.765 225 G HN 0.464 nan 8.290 nan 0.000 0.595 226 A N -0.489 122.373 122.820 0.070 0.000 2.462 226 A HA 0.671 4.990 4.320 -0.001 0.000 0.261 226 A C 0.365 177.975 177.584 0.042 0.000 1.323 226 A CA -0.272 51.793 52.037 0.046 0.000 0.913 226 A CB -0.089 18.926 19.000 0.025 0.000 1.028 226 A HN 0.291 nan 8.150 nan 0.000 0.511 227 L N -1.168 120.102 121.223 0.078 0.000 2.341 227 L HA 0.465 4.805 4.340 -0.001 0.000 0.267 227 L C -0.200 176.725 176.870 0.091 0.000 1.009 227 L CA -0.873 54.014 54.840 0.078 0.000 0.819 227 L CB 1.809 43.946 42.059 0.131 0.000 1.323 227 L HN 0.059 nan 8.230 nan 0.000 0.425 228 D N -0.138 120.300 120.400 0.065 0.000 2.379 228 D HA 0.147 4.787 4.640 -0.001 0.000 0.208 228 D C -0.079 176.259 176.300 0.063 0.000 1.065 228 D CA 0.491 54.527 54.000 0.061 0.000 0.848 228 D CB 0.901 41.726 40.800 0.043 0.000 0.949 228 D HN 0.357 nan 8.370 nan 0.000 0.509 229 C N -0.516 118.854 119.300 0.117 0.000 3.320 229 C HA 0.666 5.126 4.460 -0.001 0.000 0.335 229 C C -1.726 173.408 174.990 0.241 0.000 1.430 229 C CA -0.707 58.408 59.018 0.162 0.000 1.271 229 C CB 1.420 29.336 27.740 0.293 0.000 1.609 229 C HN 0.326 nan 8.230 nan 0.000 0.457 230 C N 2.862 122.232 119.300 0.117 0.000 2.811 230 C HA 0.813 5.272 4.460 -0.001 0.000 0.352 230 C C -1.296 173.519 174.990 -0.292 0.000 1.098 230 C CA -0.117 58.898 59.018 -0.005 0.000 1.295 230 C CB 0.510 28.156 27.740 -0.157 0.000 1.758 230 C HN 0.873 nan 8.230 nan 0.000 0.488 231 V N 5.166 124.829 119.914 -0.418 0.000 2.864 231 V HA 0.830 4.950 4.120 -0.001 0.000 0.314 231 V C -0.615 175.107 176.094 -0.620 0.000 1.073 231 V CA -0.483 61.426 62.300 -0.652 0.000 0.956 231 V CB 2.105 33.301 31.823 -1.046 0.000 1.023 231 V HN 0.757 nan 8.190 nan 0.000 0.435 232 V N 3.707 123.238 119.914 -0.638 0.000 2.655 232 V HA 0.488 4.608 4.120 -0.001 0.000 0.301 232 V C -0.779 175.171 176.094 -0.240 0.000 1.082 232 V CA -0.408 61.627 62.300 -0.441 0.000 0.899 232 V CB 2.226 33.735 31.823 -0.523 0.000 1.014 232 V HN 0.613 nan 8.190 nan 0.000 0.429 233 V N 6.259 126.083 119.914 -0.149 0.000 2.628 233 V HA 0.620 4.739 4.120 -0.001 0.000 0.306 233 V C -0.426 175.680 176.094 0.020 0.000 1.045 233 V CA -0.570 61.718 62.300 -0.020 0.000 0.905 233 V CB 2.192 33.980 31.823 -0.060 0.000 0.997 233 V HN 0.700 nan 8.190 nan 0.000 0.436 234 I N 4.954 125.566 120.570 0.070 0.000 2.497 234 I HA 0.387 4.556 4.170 -0.001 0.000 0.284 234 I C -0.975 175.191 176.117 0.082 0.000 1.060 234 I CA -0.257 61.083 61.300 0.067 0.000 1.071 234 I CB 1.769 39.811 38.000 0.070 0.000 1.216 234 I HN 0.358 nan 8.210 nan 0.000 0.442 235 L N 5.960 127.224 121.223 0.068 0.000 2.321 235 L HA 0.566 4.906 4.340 -0.001 0.000 0.272 235 L C 0.034 176.945 176.870 0.068 0.000 1.050 235 L CA 0.026 54.906 54.840 0.067 0.000 0.893 235 L CB 0.950 43.038 42.059 0.048 0.000 1.272 235 L HN 0.587 nan 8.230 nan 0.000 0.435 236 S N 0.288 116.041 115.700 0.088 0.000 2.727 236 S HA 0.482 4.951 4.470 -0.001 0.000 0.278 236 S C -1.007 173.675 174.600 0.137 0.000 1.186 236 S CA -0.699 57.596 58.200 0.160 0.000 0.836 236 S CB 1.278 64.616 63.200 0.229 0.000 1.186 236 S HN 0.521 nan 8.310 nan 0.000 0.499 237 H N -0.080 119.151 119.070 0.269 0.000 2.547 237 H HA 0.634 5.190 4.556 -0.001 0.000 0.362 237 H C 0.666 176.125 175.328 0.218 0.000 1.181 237 H CA 0.842 56.981 56.048 0.153 0.000 1.376 237 H CB 1.102 30.823 29.762 -0.068 0.000 1.488 237 H HN 0.866 nan 8.280 nan 0.000 0.583 238 G N -0.861 108.085 108.800 0.243 0.000 2.846 238 G HA2 0.558 4.518 3.960 -0.001 0.000 0.299 238 G HA3 0.558 4.518 3.960 -0.001 0.000 0.299 238 G C -0.992 173.806 174.900 -0.170 0.000 1.242 238 G CA 0.034 45.040 45.100 -0.156 0.000 0.800 238 G HN 0.975 nan 8.290 nan 0.000 0.538 239 C N -2.085 117.073 119.300 -0.237 0.000 3.056 239 C HA 0.657 5.116 4.460 -0.001 0.000 0.336 239 C C -1.105 173.764 174.990 -0.201 0.000 1.356 239 C CA -0.888 58.030 59.018 -0.167 0.000 1.216 239 C CB 0.846 28.513 27.740 -0.122 0.000 1.391 239 C HN 1.243 nan 8.230 nan 0.000 0.445 240 Q N 2.011 121.706 119.800 -0.175 0.000 2.261 240 Q HA 0.726 5.065 4.340 -0.001 0.000 0.252 240 Q C -0.343 175.575 176.000 -0.136 0.000 0.915 240 Q CA 0.029 55.713 55.803 -0.198 0.000 0.915 240 Q CB 1.462 30.091 28.738 -0.182 0.000 1.204 240 Q HN 1.620 nan 8.270 nan 0.000 0.421 241 A N 2.086 124.829 122.820 -0.129 0.000 2.413 241 A HA 0.554 4.873 4.320 -0.001 0.000 0.307 241 A C -0.539 177.071 177.584 0.043 0.000 1.087 241 A CA -0.828 51.175 52.037 -0.056 0.000 0.750 241 A CB 2.051 21.007 19.000 -0.073 0.000 1.296 241 A HN 0.741 nan 8.150 nan 0.000 0.423 242 S N 1.322 117.055 115.700 0.054 0.000 2.549 242 S HA 0.441 4.910 4.470 -0.001 0.000 0.286 242 S C -0.094 174.594 174.600 0.147 0.000 1.314 242 S CA -0.039 58.214 58.200 0.087 0.000 1.062 242 S CB -0.233 62.980 63.200 0.022 0.000 0.865 242 S HN 1.030 nan 8.310 nan 0.000 0.498 243 H N 2.886 121.930 119.070 -0.042 0.000 2.990 243 H HA 0.434 4.990 4.556 -0.001 0.000 0.343 243 H C -0.325 174.972 175.328 -0.051 0.000 1.270 243 H CA -0.936 55.088 56.048 -0.040 0.000 1.118 243 H CB 0.402 30.142 29.762 -0.036 0.000 1.861 243 H HN 0.534 nan 8.280 nan 0.000 0.544 244 L N -0.856 120.316 121.223 -0.085 0.000 2.433 244 L HA 0.107 4.447 4.340 -0.001 0.000 0.200 244 L C 2.029 178.794 176.870 -0.174 0.000 1.059 244 L CA 0.682 55.424 54.840 -0.164 0.000 0.835 244 L CB 0.005 42.010 42.059 -0.090 0.000 1.076 244 L HN 0.509 nan 8.230 nan 0.000 0.481 245 Q N -0.230 119.492 119.800 -0.129 0.000 2.606 245 Q HA 0.217 4.556 4.340 -0.001 0.000 0.215 245 Q C -0.328 175.440 176.000 -0.387 0.000 0.908 245 Q CA 0.649 56.218 55.803 -0.389 0.000 0.908 245 Q CB 0.469 28.773 28.738 -0.723 0.000 1.120 245 Q HN 0.199 nan 8.270 nan 0.000 0.628 246 F N 3.053 123.097 119.950 0.157 0.000 2.426 246 F HA 0.503 5.029 4.527 -0.001 0.000 0.348 246 F C -1.989 173.668 175.800 -0.240 0.000 1.124 246 F CA -2.570 55.442 58.000 0.020 0.000 1.008 246 F CB 1.418 40.385 39.000 -0.054 0.000 1.139 246 F HN 0.068 nan 8.300 nan 0.000 0.452 247 P HA 0.293 nan 4.420 nan 0.000 0.273 247 P C 0.117 177.126 177.300 -0.484 0.000 1.250 247 P CA 0.148 62.548 63.100 -1.166 0.000 0.793 247 P CB 1.127 32.172 31.700 -1.093 0.000 1.011 248 G N -0.558 107.972 108.800 -0.451 0.000 2.731 248 G HA2 0.270 4.229 3.960 -0.001 0.000 0.686 248 G HA3 0.270 4.229 3.960 -0.001 0.000 0.686 248 G C -0.863 173.946 174.900 -0.152 0.000 1.395 248 G CA -0.236 44.701 45.100 -0.271 0.000 0.870 248 G HN 0.704 nan 8.290 nan 0.000 0.591 249 A N -0.103 122.610 122.820 -0.178 0.000 2.479 249 A HA 1.089 5.408 4.320 -0.001 0.000 0.296 249 A C 0.116 177.550 177.584 -0.250 0.000 1.121 249 A CA 0.082 52.006 52.037 -0.189 0.000 0.743 249 A CB 2.073 20.938 19.000 -0.226 0.000 1.323 249 A HN 2.497 nan 8.150 nan 0.000 0.415 250 V N -1.483 118.304 119.914 -0.212 0.000 2.656 250 V HA 0.690 4.810 4.120 -0.001 0.000 0.307 250 V C -1.003 175.008 176.094 -0.139 0.000 1.051 250 V CA -0.932 61.268 62.300 -0.166 0.000 0.893 250 V CB 0.778 32.591 31.823 -0.016 0.000 0.999 250 V HN 0.765 nan 8.190 nan 0.000 0.426 251 Y N 2.133 122.502 120.300 0.114 0.000 2.304 251 Y HA 0.646 5.195 4.550 -0.001 0.000 0.327 251 Y C 1.341 177.363 175.900 0.204 0.000 1.209 251 Y CA 0.550 58.742 58.100 0.153 0.000 1.299 251 Y CB 1.445 40.009 38.460 0.173 0.000 1.249 251 Y HN 0.984 nan 8.280 nan 0.000 0.519 252 G N -0.017 108.998 108.800 0.358 0.000 2.462 252 G HA2 0.190 4.149 3.960 -0.001 0.000 0.319 252 G HA3 0.190 4.149 3.960 -0.001 0.000 0.319 252 G C 0.813 175.862 174.900 0.247 0.000 1.171 252 G CA -0.372 44.861 45.100 0.221 0.000 0.920 252 G HN 0.675 nan 8.290 nan 0.000 0.499 253 T N -0.406 114.182 114.554 0.057 0.000 2.822 253 T HA -0.204 4.145 4.350 -0.001 0.000 0.270 253 T C 1.776 176.520 174.700 0.073 0.000 1.064 253 T CA 2.306 64.347 62.100 -0.097 0.000 1.131 253 T CB -0.381 68.369 68.868 -0.197 0.000 0.858 253 T HN 0.647 nan 8.240 nan 0.000 0.483 254 D N -0.581 119.874 120.400 0.091 0.000 2.349 254 D HA 0.182 4.822 4.640 -0.001 0.000 0.224 254 D C 1.591 177.955 176.300 0.106 0.000 1.029 254 D CA 0.942 54.992 54.000 0.083 0.000 0.879 254 D CB -0.853 39.980 40.800 0.056 0.000 0.906 254 D HN 0.562 nan 8.370 nan 0.000 0.528 255 G N -0.219 108.682 108.800 0.169 0.000 2.179 255 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 255 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 255 G C 0.333 175.327 174.900 0.157 0.000 0.977 255 G CA 0.164 45.316 45.100 0.086 0.000 0.641 255 G HN 0.651 nan 8.290 nan 0.000 0.533 256 C N 3.907 123.313 119.300 0.176 0.000 2.415 256 C HA 0.688 5.148 4.460 -0.001 0.000 0.369 256 C C -1.106 174.016 174.990 0.220 0.000 1.279 256 C CA -1.614 57.503 59.018 0.164 0.000 1.886 256 C CB 0.620 28.419 27.740 0.098 0.000 2.468 256 C HN 0.454 nan 8.230 nan 0.000 0.553 257 P HA 0.384 nan 4.420 nan 0.000 0.276 257 P C -1.314 175.996 177.300 0.017 0.000 1.244 257 P CA -0.040 63.101 63.100 0.067 0.000 0.801 257 P CB 1.145 32.830 31.700 -0.025 0.000 1.006 258 V N 0.945 120.842 119.914 -0.029 0.000 2.638 258 V HA 0.250 4.369 4.120 -0.001 0.000 0.306 258 V C 0.476 176.543 176.094 -0.045 0.000 1.052 258 V CA -0.702 61.589 62.300 -0.015 0.000 0.885 258 V CB 1.688 33.517 31.823 0.009 0.000 0.999 258 V HN 0.736 nan 8.190 nan 0.000 0.424 259 S N 3.309 118.991 115.700 -0.031 0.000 2.564 259 S HA 0.309 4.778 4.470 -0.001 0.000 0.278 259 S C 1.087 175.668 174.600 -0.031 0.000 1.333 259 S CA -0.452 57.728 58.200 -0.034 0.000 1.048 259 S CB 1.554 64.751 63.200 -0.005 0.000 0.900 259 S HN 0.441 nan 8.310 nan 0.000 0.505 260 V N 2.685 122.576 119.914 -0.038 0.000 2.287 260 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 260 V C 2.764 178.805 176.094 -0.087 0.000 1.053 260 V CA 2.403 64.665 62.300 -0.064 0.000 1.027 260 V CB -1.182 30.631 31.823 -0.018 0.000 0.646 260 V HN 1.065 nan 8.190 nan 0.000 0.447 261 E N -0.057 120.158 120.200 0.024 0.000 2.114 261 E HA -0.333 4.017 4.350 -0.001 0.000 0.199 261 E C 2.293 178.917 176.600 0.041 0.000 1.008 261 E CA 1.968 58.442 56.400 0.123 0.000 0.810 261 E CB -0.129 29.674 29.700 0.172 0.000 0.739 261 E HN 0.587 nan 8.360 nan 0.000 0.456 262 K N 0.283 120.689 120.400 0.010 0.000 2.103 262 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 262 K C 2.045 178.633 176.600 -0.021 0.000 1.052 262 K CA 1.014 57.300 56.287 -0.001 0.000 0.945 262 K CB -0.038 32.461 32.500 -0.002 0.000 0.722 262 K HN 0.132 nan 8.250 nan 0.000 0.443 263 I N 0.689 121.238 120.570 -0.034 0.000 2.142 263 I HA -0.290 3.880 4.170 -0.001 0.000 0.240 263 I C 2.212 178.331 176.117 0.004 0.000 1.078 263 I CA 1.037 62.346 61.300 0.014 0.000 1.343 263 I CB -0.288 37.721 38.000 0.014 0.000 1.046 263 I HN -0.015 nan 8.210 nan 0.000 0.405 264 V N 1.401 121.114 119.914 -0.336 0.000 2.252 264 V HA -0.328 3.791 4.120 -0.001 0.000 0.249 264 V C 2.162 178.218 176.094 -0.063 0.000 1.056 264 V CA 2.182 64.138 62.300 -0.573 0.000 1.022 264 V CB -0.921 30.333 31.823 -0.948 0.000 0.641 264 V HN 0.473 nan 8.190 nan 0.000 0.445 265 N N -0.021 118.667 118.700 -0.021 0.000 2.272 265 N HA -0.097 4.642 4.740 -0.001 0.000 0.185 265 N C 1.699 177.205 175.510 -0.007 0.000 1.014 265 N CA 1.390 54.462 53.050 0.036 0.000 0.870 265 N CB -0.400 38.113 38.487 0.043 0.000 0.975 265 N HN 0.474 nan 8.380 nan 0.000 0.433 266 I N -0.041 120.478 120.570 -0.085 0.000 2.502 266 I HA -0.234 3.935 4.170 -0.001 0.000 0.258 266 I C 0.432 176.270 176.117 -0.466 0.000 1.172 266 I CA 1.075 62.197 61.300 -0.297 0.000 1.430 266 I CB -0.262 37.476 38.000 -0.438 0.000 1.086 266 I HN -0.029 nan 8.210 nan 0.000 0.440 267 F N 0.851 120.823 119.950 0.036 0.000 2.819 267 F HA 0.147 4.674 4.527 -0.000 0.000 0.294 267 F C 0.925 176.745 175.800 0.033 0.000 1.166 267 F CA -1.042 56.987 58.000 0.047 0.000 1.374 267 F CB -0.890 38.188 39.000 0.129 0.000 0.956 267 F HN 0.139 nan 8.300 nan 0.000 0.509 268 N N -0.573 118.188 118.700 0.102 0.000 2.424 268 N HA 0.202 4.941 4.740 -0.001 0.000 0.257 268 N C 1.534 177.089 175.510 0.073 0.000 1.250 268 N CA 0.216 53.319 53.050 0.089 0.000 0.946 268 N CB 0.572 39.094 38.487 0.058 0.000 1.175 268 N HN 0.078 nan 8.380 nan 0.000 0.477 269 G N -0.511 108.332 108.800 0.072 0.000 2.450 269 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.220 269 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.220 269 G C 1.123 176.053 174.900 0.049 0.000 1.130 269 G CA 1.227 46.365 45.100 0.063 0.000 0.760 269 G HN 0.647 nan 8.290 nan 0.000 0.557 270 T N 1.381 115.958 114.554 0.038 0.000 2.668 270 T HA -0.128 4.222 4.350 -0.001 0.000 0.262 270 T C 2.931 177.644 174.700 0.022 0.000 1.045 270 T CA 1.955 64.072 62.100 0.028 0.000 1.152 270 T CB -0.398 68.483 68.868 0.021 0.000 0.864 270 T HN 0.507 nan 8.240 nan 0.000 0.419 271 S N -0.633 115.073 115.700 0.010 0.000 2.447 271 S HA -0.003 4.466 4.470 -0.001 0.000 0.233 271 S C 1.292 175.896 174.600 0.006 0.000 1.006 271 S CA 0.214 58.410 58.200 -0.007 0.000 0.957 271 S CB -0.481 62.694 63.200 -0.042 0.000 0.773 271 S HN 0.494 nan 8.310 nan 0.000 0.507 272 C N 3.596 122.914 119.300 0.030 0.000 3.328 272 C HA 0.504 4.963 4.460 -0.001 0.000 0.230 272 C C -1.902 173.133 174.990 0.074 0.000 1.232 272 C CA -1.739 57.316 59.018 0.061 0.000 1.431 272 C CB 0.686 28.468 27.740 0.070 0.000 1.818 272 C HN 0.319 nan 8.230 nan 0.000 0.484 273 P HA -0.050 nan 4.420 nan 0.000 0.230 273 P C 1.411 178.764 177.300 0.088 0.000 1.158 273 P CA 1.086 64.230 63.100 0.072 0.000 0.769 273 P CB 0.284 32.021 31.700 0.062 0.000 0.807 274 S N -0.048 115.723 115.700 0.120 0.000 2.402 274 S HA 0.018 4.488 4.470 -0.001 0.000 0.229 274 S C 1.626 176.306 174.600 0.133 0.000 1.021 274 S CA 0.797 59.094 58.200 0.162 0.000 0.974 274 S CB -0.545 62.827 63.200 0.287 0.000 0.800 274 S HN 0.207 nan 8.310 nan 0.000 0.484 275 L N 1.300 122.559 121.223 0.058 0.000 2.653 275 L HA 0.266 4.606 4.340 -0.001 0.000 0.231 275 L C 1.066 177.962 176.870 0.042 0.000 1.153 275 L CA -0.540 54.302 54.840 0.003 0.000 0.933 275 L CB -0.349 41.639 42.059 -0.117 0.000 1.175 275 L HN 0.173 nan 8.230 nan 0.000 0.473 276 G N -0.453 108.385 108.800 0.065 0.000 2.335 276 G HA2 0.347 4.307 3.960 -0.001 0.000 0.268 276 G HA3 0.347 4.307 3.960 -0.001 0.000 0.268 276 G C 1.103 176.049 174.900 0.075 0.000 1.228 276 G CA 0.573 45.715 45.100 0.070 0.000 0.968 276 G HN 0.428 nan 8.290 nan 0.000 0.459 277 G N 2.043 110.893 108.800 0.084 0.000 2.253 277 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.251 277 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.251 277 G C 0.587 175.558 174.900 0.119 0.000 0.998 277 G CA 0.607 45.771 45.100 0.106 0.000 0.621 277 G HN 0.843 nan 8.290 nan 0.000 0.524 278 K N 2.292 122.731 120.400 0.063 0.000 2.144 278 K HA 0.481 4.800 4.320 -0.001 0.000 0.270 278 K C -2.392 174.130 176.600 -0.130 0.000 1.005 278 K CA -1.736 54.549 56.287 -0.004 0.000 0.932 278 K CB 1.468 33.974 32.500 0.012 0.000 1.021 278 K HN 0.116 nan 8.250 nan 0.000 0.462 279 P HA -0.017 nan 4.420 nan 0.000 0.265 279 P C -1.182 175.992 177.300 -0.210 0.000 1.193 279 P CA 0.150 62.973 63.100 -0.462 0.000 0.765 279 P CB 0.465 31.645 31.700 -0.867 0.000 0.823 280 K N 3.592 123.914 120.400 -0.129 0.000 2.521 280 K HA 0.409 4.729 4.320 -0.001 0.000 0.248 280 K C -0.173 176.320 176.600 -0.179 0.000 0.978 280 K CA -0.538 55.647 56.287 -0.171 0.000 0.947 280 K CB 0.994 33.476 32.500 -0.030 0.000 1.165 280 K HN 0.419 nan 8.250 nan 0.000 0.445 281 L N 2.795 123.810 121.223 -0.347 0.000 2.375 281 L HA 0.544 4.883 4.340 -0.001 0.000 0.271 281 L C -0.504 175.881 176.870 -0.808 0.000 1.107 281 L CA -0.701 53.976 54.840 -0.272 0.000 0.806 281 L CB 0.368 42.422 42.059 -0.008 0.000 1.146 281 L HN 0.390 nan 8.230 nan 0.000 0.447 282 F N 1.473 121.200 119.950 -0.372 0.000 2.612 282 F HA 0.427 4.953 4.527 -0.001 0.000 0.332 282 F C -0.579 174.907 175.800 -0.524 0.000 1.167 282 F CA -0.279 57.486 58.000 -0.391 0.000 0.970 282 F CB 1.304 40.049 39.000 -0.425 0.000 1.234 282 F HN 0.118 nan 8.300 nan 0.000 0.453 283 F N 4.649 124.582 119.950 -0.028 0.000 2.411 283 F HA 0.602 5.129 4.527 -0.001 0.000 0.352 283 F C -0.024 175.794 175.800 0.031 0.000 1.123 283 F CA -0.687 57.349 58.000 0.060 0.000 1.044 283 F CB 1.209 40.285 39.000 0.126 0.000 1.135 283 F HN 0.186 nan 8.300 nan 0.000 0.461 284 I N 3.454 124.081 120.570 0.095 0.000 2.439 284 I HA 0.194 4.363 4.170 -0.001 0.000 0.283 284 I C -0.732 175.412 176.117 0.045 0.000 1.023 284 I CA -0.859 60.466 61.300 0.042 0.000 1.100 284 I CB 1.897 39.845 38.000 -0.087 0.000 1.238 284 I HN 0.421 nan 8.210 nan 0.000 0.445 285 Q N 6.334 126.210 119.800 0.126 0.000 2.673 285 Q HA 0.643 4.982 4.340 -0.001 0.000 0.224 285 Q C -0.883 175.157 176.000 0.065 0.000 1.226 285 Q CA -0.188 55.682 55.803 0.112 0.000 1.019 285 Q CB 0.832 29.705 28.738 0.225 0.000 1.312 285 Q HN 0.780 nan 8.270 nan 0.000 0.566 286 A N 1.647 124.489 122.820 0.038 0.000 3.042 286 A HA 0.929 5.249 4.320 -0.001 0.000 0.229 286 A C -0.698 176.902 177.584 0.025 0.000 1.185 286 A CA -0.366 51.698 52.037 0.045 0.000 0.844 286 A CB 1.375 20.401 19.000 0.044 0.000 1.403 286 A HN 0.502 nan 8.150 nan 0.000 0.555 336 P HA 0.035 nan 4.420 nan 0.000 0.256 336 P C 0.028 177.356 177.300 0.047 0.000 1.688 336 P CA 0.083 63.206 63.100 0.039 0.000 1.162 336 P CB 0.466 32.188 31.700 0.036 0.000 1.870 337 T N 3.805 118.388 114.554 0.048 0.000 2.779 337 T HA 0.231 4.580 4.350 -0.001 0.000 0.296 337 T C -2.148 172.599 174.700 0.079 0.000 0.938 337 T CA -1.557 60.576 62.100 0.054 0.000 1.119 337 T CB -0.393 68.502 68.868 0.045 0.000 0.891 337 T HN 0.130 nan 8.240 nan 0.000 0.526 338 P HA 0.155 nan 4.420 nan 0.000 0.260 338 P C -1.075 176.316 177.300 0.151 0.000 1.185 338 P CA 0.110 63.301 63.100 0.152 0.000 0.763 338 P CB 0.272 32.108 31.700 0.226 0.000 0.776 339 S N 1.143 116.931 115.700 0.146 0.000 2.546 339 S HA 0.430 4.900 4.470 -0.001 0.000 0.274 339 S C -0.785 173.904 174.600 0.148 0.000 1.121 339 S CA -0.926 57.360 58.200 0.143 0.000 0.887 339 S CB 1.425 64.696 63.200 0.118 0.000 1.094 339 S HN 0.509 nan 8.310 nan 0.000 0.474 340 D N 0.623 121.125 120.400 0.170 0.000 2.699 340 D HA -0.110 4.529 4.640 -0.001 0.000 0.239 340 D C -0.797 175.584 176.300 0.135 0.000 1.136 340 D CA 0.692 54.788 54.000 0.160 0.000 0.668 340 D CB -0.988 39.872 40.800 0.100 0.000 1.060 340 D HN 0.488 nan 8.370 nan 0.000 0.429 341 I N 0.685 121.363 120.570 0.180 0.000 2.404 341 I HA 0.466 4.636 4.170 -0.001 0.000 0.293 341 I C 0.028 176.260 176.117 0.192 0.000 0.992 341 I CA -0.641 60.750 61.300 0.152 0.000 1.149 341 I CB 1.282 39.302 38.000 0.033 0.000 1.315 341 I HN -0.054 nan 8.210 nan 0.000 0.446 342 F N 6.844 126.814 119.950 0.033 0.000 2.518 342 F HA 0.644 5.171 4.527 -0.001 0.000 0.323 342 F C -1.038 174.715 175.800 -0.077 0.000 1.129 342 F CA -0.581 57.406 58.000 -0.021 0.000 0.920 342 F CB 1.585 40.550 39.000 -0.060 0.000 1.160 342 F HN 0.078 nan 8.300 nan 0.000 0.440 343 V N 4.842 124.267 119.914 -0.815 0.000 2.525 343 V HA 0.438 4.557 4.120 -0.001 0.000 0.299 343 V C -0.563 174.983 176.094 -0.915 0.000 1.034 343 V CA -0.685 61.174 62.300 -0.735 0.000 0.863 343 V CB 1.604 33.039 31.823 -0.647 0.000 0.999 343 V HN 0.785 nan 8.190 nan 0.000 0.423 344 S N 4.101 119.349 115.700 -0.754 0.000 2.475 344 S HA 0.771 5.241 4.470 -0.001 0.000 0.298 344 S C -1.359 173.016 174.600 -0.374 0.000 1.119 344 S CA -0.309 57.669 58.200 -0.370 0.000 1.085 344 S CB 0.639 63.855 63.200 0.027 0.000 1.028 344 S HN 0.496 nan 8.310 nan 0.000 0.489 345 Y N 2.084 122.320 120.300 -0.106 0.000 2.364 345 Y HA 0.240 4.790 4.550 -0.001 0.000 0.340 345 Y C 1.636 177.295 175.900 -0.401 0.000 0.975 345 Y CA -0.638 57.345 58.100 -0.194 0.000 1.089 345 Y CB 1.759 40.143 38.460 -0.127 0.000 1.192 345 Y HN 0.801 nan 8.280 nan 0.000 0.454 346 S N 0.307 115.670 115.700 -0.563 0.000 2.462 346 S HA -0.101 4.368 4.470 -0.001 0.000 0.243 346 S C 0.660 175.143 174.600 -0.194 0.000 1.003 346 S CA 1.443 59.121 58.200 -0.869 0.000 0.970 346 S CB -0.211 62.700 63.200 -0.482 0.000 0.762 346 S HN 0.786 nan 8.310 nan 0.000 0.510 347 T N -0.815 113.727 114.554 -0.021 0.000 2.983 347 T HA 0.324 4.674 4.350 -0.001 0.000 0.357 347 T C -1.535 173.229 174.700 0.106 0.000 1.830 347 T CA -0.868 61.291 62.100 0.098 0.000 1.080 347 T CB 0.043 68.995 68.868 0.140 0.000 1.675 347 T HN 0.177 nan 8.240 nan 0.000 0.497 348 F N 4.912 124.831 119.950 -0.052 0.000 2.604 348 F HA 0.322 4.849 4.527 -0.001 0.000 0.393 348 F C -1.899 173.881 175.800 -0.033 0.000 1.043 348 F CA -0.683 57.245 58.000 -0.119 0.000 1.227 348 F CB 0.330 39.237 39.000 -0.155 0.000 1.016 348 F HN 0.370 nan 8.300 nan 0.000 0.556 349 P HA 0.158 nan 4.420 nan 0.000 0.264 349 P C 0.466 177.617 177.300 -0.249 0.000 1.179 349 P CA 1.813 64.600 63.100 -0.521 0.000 0.763 349 P CB 0.461 31.705 31.700 -0.760 0.000 0.806 350 G N 0.892 109.622 108.800 -0.116 0.000 2.279 350 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.223 350 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.223 350 G C 0.091 174.892 174.900 -0.165 0.000 1.015 350 G CA -0.483 44.547 45.100 -0.117 0.000 0.621 350 G HN 0.424 nan 8.290 nan 0.000 0.506 351 F N 0.288 120.230 119.950 -0.013 0.000 2.377 351 F HA 0.687 5.214 4.527 -0.001 0.000 0.335 351 F C 1.011 176.797 175.800 -0.024 0.000 1.099 351 F CA -0.955 57.068 58.000 0.038 0.000 1.072 351 F CB 1.159 40.236 39.000 0.128 0.000 1.417 351 F HN -0.006 nan 8.300 nan 0.000 0.495 352 V N 0.708 120.739 119.914 0.194 0.000 2.546 352 V HA 0.244 4.363 4.120 -0.001 0.000 0.284 352 V C -0.384 175.601 176.094 -0.180 0.000 1.050 352 V CA -0.468 61.756 62.300 -0.127 0.000 0.981 352 V CB 1.229 32.838 31.823 -0.357 0.000 0.990 352 V HN 0.613 nan 8.190 nan 0.000 0.474 353 S N 3.914 119.421 115.700 -0.321 0.000 2.438 353 S HA 0.442 4.911 4.470 -0.001 0.000 0.316 353 S C -0.924 173.382 174.600 -0.491 0.000 1.084 353 S CA -0.520 57.551 58.200 -0.216 0.000 1.107 353 S CB 0.461 63.608 63.200 -0.088 0.000 0.981 353 S HN 0.607 nan 8.310 nan 0.000 0.466 354 W N 3.212 124.296 121.300 -0.361 0.000 2.322 354 W HA 0.544 5.204 4.660 -0.001 0.000 0.307 354 W C 0.797 176.779 176.519 -0.895 0.000 1.220 354 W CA -0.594 56.273 57.345 -0.797 0.000 1.210 354 W CB 0.529 29.065 29.460 -1.540 0.000 1.223 354 W HN 0.546 nan 8.180 nan 0.000 0.511 355 R N 1.417 121.698 120.500 -0.365 0.000 2.748 355 R HA 0.449 4.789 4.340 -0.001 0.000 0.220 355 R C -0.888 175.338 176.300 -0.123 0.000 1.404 355 R CA -0.397 55.574 56.100 -0.214 0.000 1.039 355 R CB 0.905 31.142 30.300 -0.105 0.000 1.904 355 R HN 0.360 nan 8.270 nan 0.000 0.529 356 D N -0.346 120.055 120.400 0.002 0.000 3.816 356 D HA 0.126 4.765 4.640 -0.001 0.000 0.228 356 D C -2.649 173.691 176.300 0.067 0.000 1.508 356 D CA -0.863 53.181 54.000 0.073 0.000 1.093 356 D CB 0.328 41.231 40.800 0.170 0.000 1.326 356 D HN 0.229 nan 8.370 nan 0.000 0.787 357 P HA -0.001 nan 4.420 nan 0.000 0.191 357 P C 0.189 177.514 177.300 0.041 0.000 0.942 357 P CA 0.986 64.107 63.100 0.035 0.000 1.312 357 P CB 0.086 31.801 31.700 0.025 0.000 1.452 358 K N -0.036 120.393 120.400 0.048 0.000 1.335 358 K HA -0.077 4.243 4.320 -0.001 0.000 0.085 358 K C 1.311 177.943 176.600 0.054 0.000 2.442 358 K CA 0.780 57.094 56.287 0.045 0.000 1.048 358 K CB -0.991 31.537 32.500 0.047 0.000 2.722 358 K HN 0.227 nan 8.250 nan 0.000 0.345 359 S N -0.001 115.745 115.700 0.078 0.000 2.511 359 S HA 0.485 4.954 4.470 -0.001 0.000 0.214 359 S C 0.848 175.509 174.600 0.102 0.000 0.997 359 S CA 0.738 58.993 58.200 0.091 0.000 0.908 359 S CB 0.996 64.272 63.200 0.126 0.000 0.803 359 S HN 0.821 nan 8.310 nan 0.000 0.504 360 G N 1.587 110.445 108.800 0.096 0.000 2.756 360 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.678 360 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.678 360 G C -0.370 174.610 174.900 0.133 0.000 1.349 360 G CA -0.570 44.584 45.100 0.089 0.000 0.847 360 G HN 1.329 nan 8.290 nan 0.000 0.548 361 S N -0.021 115.745 115.700 0.110 0.000 2.572 361 S HA 0.328 4.797 4.470 -0.001 0.000 0.279 361 S C 1.296 176.073 174.600 0.295 0.000 1.341 361 S CA 0.536 58.811 58.200 0.125 0.000 1.043 361 S CB 0.876 64.135 63.200 0.099 0.000 0.887 361 S HN 0.792 nan 8.310 nan 0.000 0.516 362 W N 1.145 122.547 121.300 0.170 0.000 2.302 362 W HA -0.186 4.475 4.660 0.000 0.000 0.320 362 W C 2.239 178.864 176.519 0.176 0.000 1.241 362 W CA 1.174 58.621 57.345 0.170 0.000 1.264 362 W CB -1.706 27.884 29.460 0.216 0.000 1.154 362 W HN 0.992 nan 8.180 nan 0.000 0.483 363 Y N 0.855 121.366 120.300 0.353 0.000 2.097 363 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 363 Y C 2.422 178.402 175.900 0.133 0.000 1.152 363 Y CA 2.568 60.806 58.100 0.231 0.000 1.136 363 Y CB -0.904 37.683 38.460 0.213 0.000 0.975 363 Y HN -0.238 nan 8.280 nan 0.000 0.498 364 V N 0.799 120.712 119.914 -0.002 0.000 2.358 364 V HA -0.273 3.847 4.120 -0.001 0.000 0.246 364 V C 2.389 178.390 176.094 -0.155 0.000 1.047 364 V CA 2.219 64.406 62.300 -0.188 0.000 1.035 364 V CB -0.754 31.051 31.823 -0.030 0.000 0.658 364 V HN 0.499 nan 8.190 nan 0.000 0.452 365 E N 0.256 120.450 120.200 -0.010 0.000 2.047 365 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 365 E C 2.224 178.805 176.600 -0.033 0.000 0.987 365 E CA 1.863 58.261 56.400 -0.002 0.000 0.799 365 E CB -0.096 29.655 29.700 0.085 0.000 0.752 365 E HN 0.629 nan 8.360 nan 0.000 0.449 366 T N 1.976 116.532 114.554 0.003 0.000 2.821 366 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 366 T C 1.878 176.544 174.700 -0.057 0.000 1.046 366 T CA 0.885 62.993 62.100 0.013 0.000 1.139 366 T CB -0.220 68.697 68.868 0.083 0.000 0.871 366 T HN 0.186 nan 8.240 nan 0.000 0.454 367 L N 0.941 122.024 121.223 -0.233 0.000 2.017 367 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 367 L C 2.450 179.029 176.870 -0.485 0.000 1.073 367 L CA 1.949 56.522 54.840 -0.446 0.000 0.745 367 L CB -0.368 41.206 42.059 -0.809 0.000 0.894 367 L HN 0.197 nan 8.230 nan 0.000 0.432 368 D N -0.252 119.918 120.400 -0.383 0.000 2.097 368 D HA -0.266 4.373 4.640 -0.001 0.000 0.195 368 D C 1.834 178.065 176.300 -0.114 0.000 0.989 368 D CA 1.564 55.391 54.000 -0.289 0.000 0.827 368 D CB -0.068 40.605 40.800 -0.211 0.000 0.966 368 D HN 0.338 nan 8.370 nan 0.000 0.456 369 D N -0.351 120.012 120.400 -0.061 0.000 2.087 369 D HA -0.150 4.489 4.640 -0.001 0.000 0.192 369 D C 2.207 178.542 176.300 0.057 0.000 0.993 369 D CA 0.933 54.928 54.000 -0.008 0.000 0.828 369 D CB -0.257 40.547 40.800 0.006 0.000 0.968 369 D HN 0.180 nan 8.370 nan 0.000 0.448 370 I N 0.302 120.966 120.570 0.157 0.000 2.151 370 I HA -0.265 3.905 4.170 -0.001 0.000 0.243 370 I C 2.400 178.761 176.117 0.406 0.000 1.080 370 I CA 0.941 62.444 61.300 0.338 0.000 1.339 370 I CB -1.345 36.911 38.000 0.426 0.000 1.039 370 I HN 0.025 nan 8.210 nan 0.000 0.409 371 F N 1.386 121.368 119.950 0.053 0.000 2.171 371 F HA -0.208 4.318 4.527 -0.002 0.000 0.300 371 F C 2.602 178.387 175.800 -0.026 0.000 1.090 371 F CA 1.608 59.616 58.000 0.013 0.000 1.293 371 F CB -0.843 38.060 39.000 -0.162 0.000 1.013 371 F HN 0.187 nan 8.300 nan 0.000 0.486 372 E N 0.045 120.315 120.200 0.116 0.000 2.007 372 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 372 E C 2.208 178.761 176.600 -0.080 0.000 0.999 372 E CA 1.690 58.084 56.400 -0.011 0.000 0.811 372 E CB -0.290 29.377 29.700 -0.055 0.000 0.762 372 E HN 0.277 nan 8.360 nan 0.000 0.450 373 Q N -0.624 119.059 119.800 -0.195 0.000 2.029 373 Q HA -0.204 4.136 4.340 -0.001 0.000 0.209 373 Q C 2.114 177.828 176.000 -0.478 0.000 0.999 373 Q CA 2.305 57.772 55.803 -0.559 0.000 0.857 373 Q CB -0.486 27.640 28.738 -1.020 0.000 0.926 373 Q HN 0.558 nan 8.270 nan 0.000 0.415 374 W N -0.942 120.452 121.300 0.157 0.000 2.993 374 W HA 0.452 5.111 4.660 -0.001 0.000 0.290 374 W C 2.095 178.685 176.519 0.118 0.000 1.203 374 W CA 0.008 57.446 57.345 0.154 0.000 1.582 374 W CB -0.240 29.263 29.460 0.071 0.000 1.033 374 W HN 0.072 nan 8.180 nan 0.000 0.594 375 A N 1.738 124.720 122.820 0.271 0.000 2.104 375 A HA -0.329 3.991 4.320 -0.001 0.000 0.223 375 A C 1.869 179.600 177.584 0.245 0.000 1.164 375 A CA 2.387 54.528 52.037 0.172 0.000 0.659 375 A CB -1.242 17.794 19.000 0.061 0.000 0.808 375 A HN 0.616 nan 8.150 nan 0.000 0.465 376 H N -0.964 118.187 119.070 0.135 0.000 2.482 376 H HA 0.054 4.610 4.556 -0.001 0.000 0.286 376 H C 1.597 176.987 175.328 0.104 0.000 1.017 376 H CA 1.690 57.797 56.048 0.097 0.000 1.322 376 H CB -0.533 29.258 29.762 0.048 0.000 1.426 376 H HN 0.551 nan 8.280 nan 0.000 0.546 377 S N -0.925 114.462 115.700 -0.522 0.000 2.578 377 S HA 0.245 4.715 4.470 -0.001 0.000 0.228 377 S C 0.185 174.792 174.600 0.012 0.000 1.022 377 S CA -0.705 57.270 58.200 -0.374 0.000 0.967 377 S CB 0.858 63.741 63.200 -0.528 0.000 0.914 377 S HN 0.383 nan 8.310 nan 0.000 0.515 378 E N 2.301 122.601 120.200 0.167 0.000 2.288 378 E HA 0.294 4.643 4.350 -0.001 0.000 0.268 378 E C -1.304 175.373 176.600 0.129 0.000 0.885 378 E CA -0.907 55.617 56.400 0.206 0.000 0.767 378 E CB 1.521 31.247 29.700 0.043 0.000 1.220 378 E HN 0.469 nan 8.360 nan 0.000 0.427 379 D N 1.996 122.254 120.400 -0.237 0.000 2.377 379 D HA -0.019 4.621 4.640 -0.001 0.000 0.245 379 D C 1.109 177.142 176.300 -0.446 0.000 1.196 379 D CA -0.499 53.030 54.000 -0.785 0.000 0.962 379 D CB 1.470 41.514 40.800 -1.260 0.000 1.127 379 D HN 0.311 nan 8.370 nan 0.000 0.471 380 L N 0.697 121.594 121.223 -0.543 0.000 2.013 380 L HA -0.275 4.065 4.340 -0.001 0.000 0.212 380 L C 2.437 179.179 176.870 -0.212 0.000 1.073 380 L CA 1.941 56.541 54.840 -0.401 0.000 0.753 380 L CB -0.803 40.895 42.059 -0.601 0.000 0.890 380 L HN 0.476 nan 8.230 nan 0.000 0.432 381 Q N -1.443 118.211 119.800 -0.243 0.000 2.230 381 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 381 Q C 2.129 178.129 176.000 -0.001 0.000 0.963 381 Q CA 1.327 57.093 55.803 -0.061 0.000 0.866 381 Q CB 0.031 28.740 28.738 -0.048 0.000 0.931 381 Q HN 0.577 nan 8.270 nan 0.000 0.452 382 S N 0.952 116.609 115.700 -0.071 0.000 2.357 382 S HA -0.060 4.409 4.470 -0.001 0.000 0.221 382 S C 1.961 176.563 174.600 0.002 0.000 1.031 382 S CA 0.666 58.834 58.200 -0.053 0.000 0.982 382 S CB -0.167 62.970 63.200 -0.104 0.000 0.853 382 S HN 0.254 nan 8.310 nan 0.000 0.458 383 L N 1.367 122.604 121.223 0.023 0.000 1.990 383 L HA -0.133 4.206 4.340 -0.001 0.000 0.213 383 L C 2.189 179.225 176.870 0.277 0.000 1.072 383 L CA 0.939 55.867 54.840 0.146 0.000 0.755 383 L CB -0.565 41.541 42.059 0.078 0.000 0.889 383 L HN 0.289 nan 8.230 nan 0.000 0.432 384 L N -0.462 120.951 121.223 0.317 0.000 2.265 384 L HA -0.184 4.155 4.340 -0.001 0.000 0.215 384 L C 2.372 179.407 176.870 0.274 0.000 1.117 384 L CA 1.559 56.632 54.840 0.388 0.000 0.782 384 L CB -0.909 41.438 42.059 0.479 0.000 0.914 384 L HN 0.339 nan 8.230 nan 0.000 0.441 385 L N -0.900 120.433 121.223 0.184 0.000 2.044 385 L HA -0.184 4.156 4.340 -0.001 0.000 0.205 385 L C 2.778 179.720 176.870 0.119 0.000 1.075 385 L CA 1.042 55.958 54.840 0.127 0.000 0.747 385 L CB -0.300 41.798 42.059 0.065 0.000 0.903 385 L HN 0.175 nan 8.230 nan 0.000 0.435 386 R N -0.738 119.828 120.500 0.109 0.000 2.083 386 R HA -0.152 4.188 4.340 -0.001 0.000 0.237 386 R C 2.196 178.594 176.300 0.163 0.000 1.137 386 R CA 1.385 57.551 56.100 0.111 0.000 0.951 386 R CB -0.656 29.715 30.300 0.118 0.000 0.851 386 R HN 0.152 nan 8.270 nan 0.000 0.434 387 V N 1.165 121.212 119.914 0.220 0.000 2.220 387 V HA -0.321 3.798 4.120 -0.001 0.000 0.246 387 V C 2.490 178.721 176.094 0.228 0.000 1.049 387 V CA 2.124 64.566 62.300 0.237 0.000 1.003 387 V CB -0.939 31.063 31.823 0.298 0.000 0.634 387 V HN 0.479 nan 8.190 nan 0.000 0.444 388 A N 0.265 123.231 122.820 0.243 0.000 1.884 388 A HA -0.389 3.931 4.320 -0.001 0.000 0.219 388 A C 2.067 179.740 177.584 0.148 0.000 1.197 388 A CA 2.859 55.022 52.037 0.210 0.000 0.637 388 A CB -1.084 18.028 19.000 0.186 0.000 0.827 388 A HN 0.647 nan 8.150 nan 0.000 0.450 389 N N -0.120 118.650 118.700 0.116 0.000 2.043 389 N HA -0.102 4.638 4.740 -0.001 0.000 0.193 389 N C 1.816 177.365 175.510 0.065 0.000 1.037 389 N CA 2.390 55.486 53.050 0.076 0.000 0.851 389 N CB -0.548 37.973 38.487 0.057 0.000 1.027 389 N HN 0.421 nan 8.380 nan 0.000 0.422 390 A N 0.261 123.126 122.820 0.076 0.000 1.849 390 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 390 A C 2.389 179.979 177.584 0.009 0.000 1.202 390 A CA 2.240 54.303 52.037 0.043 0.000 0.629 390 A CB -1.265 17.776 19.000 0.068 0.000 0.834 390 A HN 0.188 nan 8.150 nan 0.000 0.447 391 V N 1.287 121.245 119.914 0.074 0.000 2.828 391 V HA -0.215 3.904 4.120 -0.001 0.000 0.260 391 V C 2.649 178.787 176.094 0.073 0.000 1.101 391 V CA 2.125 64.479 62.300 0.091 0.000 1.123 391 V CB -1.039 30.958 31.823 0.289 0.000 0.704 391 V HN 0.838 nan 8.190 nan 0.000 0.493 392 S N 0.164 115.904 115.700 0.066 0.000 2.562 392 S HA -0.010 4.459 4.470 -0.001 0.000 0.221 392 S C 1.465 176.067 174.600 0.004 0.000 0.975 392 S CA 0.756 58.995 58.200 0.065 0.000 0.918 392 S CB 0.213 63.453 63.200 0.066 0.000 0.772 392 S HN 0.661 nan 8.310 nan 0.000 0.531 393 V N -2.003 117.873 119.914 -0.062 0.000 3.376 393 V HA 0.482 4.601 4.120 -0.001 0.000 0.313 393 V C -0.089 175.904 176.094 -0.169 0.000 1.393 393 V CA -0.663 61.585 62.300 -0.085 0.000 1.125 393 V CB -0.875 30.906 31.823 -0.071 0.000 1.037 393 V HN 0.206 nan 8.190 nan 0.000 0.440 394 K N 1.770 121.986 120.400 -0.306 0.000 2.159 394 K HA 0.673 4.992 4.320 -0.001 0.000 0.266 394 K C 0.758 177.213 176.600 -0.241 0.000 0.975 394 K CA 0.178 56.142 56.287 -0.540 0.000 0.865 394 K CB 1.494 33.078 32.500 -1.527 0.000 1.087 394 K HN 0.583 nan 8.250 nan 0.000 0.446 395 G N 1.939 110.687 108.800 -0.086 0.000 2.960 395 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.267 395 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.267 395 G C 0.794 175.706 174.900 0.020 0.000 1.492 395 G CA -0.194 44.927 45.100 0.035 0.000 0.953 395 G HN 0.622 nan 8.290 nan 0.000 0.555 396 I N -0.108 120.473 120.570 0.018 0.000 2.036 396 I HA -0.114 4.055 4.170 -0.001 0.000 0.231 396 I C 1.431 177.618 176.117 0.116 0.000 1.044 396 I CA 1.455 62.799 61.300 0.073 0.000 1.315 396 I CB -0.598 37.496 38.000 0.157 0.000 1.051 396 I HN 0.429 nan 8.210 nan 0.000 0.391 397 Y N 2.972 123.224 120.300 -0.081 0.000 2.721 397 Y HA 0.007 4.557 4.550 -0.001 0.000 0.329 397 Y C 0.444 176.430 175.900 0.143 0.000 1.211 397 Y CA -0.198 57.959 58.100 0.095 0.000 1.512 397 Y CB -0.330 38.313 38.460 0.305 0.000 1.249 397 Y HN 0.037 nan 8.280 nan 0.000 0.549 398 K N 3.994 124.576 120.400 0.304 0.000 2.258 398 K HA 0.177 4.497 4.320 -0.001 0.000 0.284 398 K C -0.194 176.625 176.600 0.365 0.000 1.051 398 K CA -0.532 55.918 56.287 0.273 0.000 0.923 398 K CB 1.089 33.673 32.500 0.139 0.000 1.046 398 K HN 0.708 nan 8.250 nan 0.000 0.474 399 Q N 2.092 122.172 119.800 0.466 0.000 2.259 399 Q HA 0.377 4.717 4.340 -0.001 0.000 0.249 399 Q C -0.906 175.268 176.000 0.290 0.000 0.914 399 Q CA -0.531 55.551 55.803 0.464 0.000 0.904 399 Q CB 0.774 29.905 28.738 0.655 0.000 1.213 399 Q HN 0.378 nan 8.270 nan 0.000 0.428 400 M N 5.874 125.598 119.600 0.207 0.000 1.996 400 M HA 0.434 4.913 4.480 -0.001 0.000 0.268 400 M C -2.611 173.778 176.300 0.148 0.000 0.888 400 M CA -2.361 53.023 55.300 0.140 0.000 0.939 400 M CB 1.577 34.200 32.600 0.038 0.000 1.736 400 M HN 0.323 nan 8.290 nan 0.000 0.407 401 P HA 0.111 nan 4.420 nan 0.000 0.265 401 P C -0.575 176.838 177.300 0.188 0.000 1.193 401 P CA -0.001 63.210 63.100 0.184 0.000 0.765 401 P CB 0.490 32.366 31.700 0.292 0.000 0.823 402 C N 3.761 123.188 119.300 0.212 0.000 2.354 402 C HA 0.669 5.128 4.460 -0.001 0.000 0.381 402 C C 0.333 175.449 174.990 0.210 0.000 1.240 402 C CA -0.227 58.939 59.018 0.247 0.000 2.089 402 C CB 0.430 28.379 27.740 0.348 0.000 2.234 402 C HN 0.477 nan 8.230 nan 0.000 0.544 403 I N 0.734 121.402 120.570 0.164 0.000 2.710 403 I HA 0.364 4.533 4.170 -0.001 0.000 0.290 403 I C -1.383 174.745 176.117 0.017 0.000 1.318 403 I CA -0.188 61.096 61.300 -0.025 0.000 1.045 403 I CB 1.920 39.953 38.000 0.055 0.000 1.307 403 I HN 0.234 nan 8.210 nan 0.000 0.424 404 V N 4.771 124.624 119.914 -0.102 0.000 2.462 404 V HA 0.422 4.541 4.120 -0.001 0.000 0.288 404 V C -0.405 175.677 176.094 -0.019 0.000 1.020 404 V CA -0.294 62.046 62.300 0.067 0.000 0.857 404 V CB 1.792 33.770 31.823 0.259 0.000 1.013 404 V HN 0.737 nan 8.190 nan 0.000 0.431 405 S N 5.221 120.974 115.700 0.087 0.000 2.566 405 S HA 0.816 5.285 4.470 -0.001 0.000 0.298 405 S C -0.256 174.478 174.600 0.222 0.000 1.083 405 S CA -0.581 57.739 58.200 0.199 0.000 0.978 405 S CB 1.740 65.167 63.200 0.378 0.000 1.073 405 S HN 0.670 nan 8.310 nan 0.000 0.491 406 M N 3.647 123.398 119.600 0.251 0.000 3.470 406 M HA 0.305 4.784 4.480 -0.001 0.000 0.454 406 M C -1.223 175.207 176.300 0.217 0.000 1.631 406 M CA -0.033 55.391 55.300 0.207 0.000 0.732 406 M CB 0.527 33.256 32.600 0.215 0.000 1.454 406 M HN 0.361 nan 8.290 nan 0.000 0.521 407 L N -0.004 121.367 121.223 0.248 0.000 2.421 407 L HA 0.405 4.745 4.340 -0.001 0.000 0.263 407 L C 1.155 178.138 176.870 0.189 0.000 1.122 407 L CA -0.162 54.851 54.840 0.288 0.000 0.804 407 L CB 1.078 43.322 42.059 0.308 0.000 1.150 407 L HN 0.411 nan 8.230 nan 0.000 0.457 408 R N 0.408 121.000 120.500 0.153 0.000 2.279 408 R HA 0.221 4.561 4.340 -0.001 0.000 0.195 408 R C -0.205 175.982 176.300 -0.189 0.000 0.905 408 R CA 0.208 56.295 56.100 -0.021 0.000 1.044 408 R CB 0.480 30.762 30.300 -0.030 0.000 1.056 408 R HN 0.482 nan 8.270 nan 0.000 0.535 409 K N 0.293 120.440 120.400 -0.421 0.000 2.433 409 K HA 0.373 4.692 4.320 -0.001 0.000 0.252 409 K C -0.961 175.460 176.600 -0.299 0.000 1.015 409 K CA -0.883 55.098 56.287 -0.509 0.000 0.860 409 K CB 2.043 33.990 32.500 -0.920 0.000 1.359 409 K HN -0.210 nan 8.250 nan 0.000 0.452 410 K N 0.988 121.243 120.400 -0.241 0.000 2.237 410 K HA 0.251 4.570 4.320 -0.001 0.000 0.270 410 K C -0.814 175.652 176.600 -0.224 0.000 1.015 410 K CA -0.585 55.539 56.287 -0.271 0.000 0.949 410 K CB 0.538 32.812 32.500 -0.376 0.000 0.976 410 K HN 0.209 nan 8.250 nan 0.000 0.472 411 L N 3.782 124.803 121.223 -0.337 0.000 2.280 411 L HA 0.386 4.726 4.340 -0.001 0.000 0.287 411 L C -1.521 174.981 176.870 -0.613 0.000 1.023 411 L CA -0.164 54.493 54.840 -0.305 0.000 0.819 411 L CB 0.373 42.204 42.059 -0.380 0.000 1.212 411 L HN 0.388 nan 8.230 nan 0.000 0.420 412 F N 5.376 125.202 119.950 -0.208 0.000 2.361 412 F HA 0.429 4.956 4.527 -0.001 0.000 0.364 412 F C -0.146 175.571 175.800 -0.139 0.000 1.117 412 F CA -0.406 57.486 58.000 -0.181 0.000 1.071 412 F CB 0.730 39.678 39.000 -0.087 0.000 1.188 412 F HN 0.252 nan 8.300 nan 0.000 0.464 413 F N 2.556 122.576 119.950 0.117 0.000 2.518 413 F HA 0.148 4.675 4.527 -0.002 0.000 0.359 413 F C 0.781 176.590 175.800 0.015 0.000 1.118 413 F CA -0.519 57.523 58.000 0.071 0.000 1.287 413 F CB 0.510 39.538 39.000 0.047 0.000 1.132 413 F HN 0.326 nan 8.300 nan 0.000 0.587 414 K N 1.750 122.238 120.400 0.147 0.000 2.295 414 K HA 0.444 4.763 4.320 -0.001 0.000 0.270 414 K C -0.235 176.254 176.600 -0.185 0.000 1.011 414 K CA -0.078 56.135 56.287 -0.124 0.000 0.953 414 K CB 0.576 32.872 32.500 -0.340 0.000 0.956 414 K HN 0.842 nan 8.250 nan 0.000 0.477 415 T N -0.645 113.786 114.554 -0.205 0.000 2.681 415 T HA 0.698 5.048 4.350 -0.001 0.000 0.296 415 T C -0.777 173.917 174.700 -0.010 0.000 1.157 415 T CA -0.562 61.499 62.100 -0.065 0.000 1.025 415 T CB 1.282 70.179 68.868 0.048 0.000 1.441 415 T HN 0.777 nan 8.240 nan 0.000 0.504 416 S N 0.000 115.747 115.700 0.078 0.000 2.498 416 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 416 S CA 0.000 58.250 58.200 0.083 0.000 1.107 416 S CB 0.000 63.312 63.200 0.187 0.000 0.593 416 S HN 0.000 nan 8.310 nan 0.000 0.517