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 2h77_1_A DATA FIRST_RESID 152 DATA SEQUENCE RSLQQRPEPT PEEWDLIHIA TEAHRSTNAQ GSHWKQRRKF LPDDIGQSPI DATA SEQUENCE VSMPDGDKVD LEAFSEFTKI ITPAITRVVD FAKKLPMFSE LPCEDQIILL DATA SEQUENCE KGCCMEIMSL RAAVRYDPES DTLTLSGEMA VKREQLKNGG LGVVSDAIFE DATA SEQUENCE LGKSLSAFNL DDTEVALLQA VLLMSTDRSG LLXVDKIEKS QEAYLLAFEH DATA SEQUENCE YVNHRKHNIP HFWPKLLMKV TDLRMIGAXH ASRFLHXKVE XPTELFPPLF DATA SEQUENCE LEVFE 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 152 R HA 0.000 nan 4.340 nan 0.000 0.208 152 R C 0.000 176.308 176.300 0.013 0.000 0.893 152 R CA 0.000 56.143 56.100 0.072 0.000 0.921 152 R CB 0.000 30.368 30.300 0.113 0.000 0.687 153 S N 1.653 117.338 115.700 -0.024 0.000 3.017 153 S HA -0.198 4.258 4.470 -0.023 0.000 0.283 153 S C 1.073 175.656 174.600 -0.028 0.000 1.304 153 S CA 1.149 59.313 58.200 -0.059 0.000 1.224 153 S CB -0.935 62.221 63.200 -0.072 0.000 1.480 153 S HN 0.608 nan 8.310 nan 0.000 0.698 154 L N 0.854 122.076 121.223 -0.001 0.000 2.263 154 L HA -0.135 4.191 4.340 -0.023 0.000 0.216 154 L C 2.285 179.149 176.870 -0.011 0.000 1.111 154 L CA 2.248 57.089 54.840 0.002 0.000 0.773 154 L CB -0.514 41.557 42.059 0.020 0.000 0.906 154 L HN 0.560 nan 8.230 nan 0.000 0.439 155 Q N -2.216 117.573 119.800 -0.019 0.000 2.462 155 Q HA -0.017 4.309 4.340 -0.023 0.000 0.224 155 Q C 1.118 177.104 176.000 -0.025 0.000 0.911 155 Q CA 0.531 56.319 55.803 -0.026 0.000 0.925 155 Q CB 1.086 29.800 28.738 -0.041 0.000 1.063 155 Q HN 0.457 nan 8.270 nan 0.000 0.572 156 Q N -1.289 118.495 119.800 -0.027 0.000 1.466 156 Q HA 0.175 4.501 4.340 -0.023 0.000 0.156 156 Q C -0.478 175.506 176.000 -0.026 0.000 0.637 156 Q CA 0.208 55.998 55.803 -0.022 0.000 0.669 156 Q CB 1.089 29.816 28.738 -0.018 0.000 1.155 156 Q HN 0.093 nan 8.270 nan 0.000 0.356 157 R N 1.234 121.713 120.500 -0.035 0.000 2.686 157 R HA 0.535 4.861 4.340 -0.023 0.000 0.286 157 R C -2.625 173.626 176.300 -0.082 0.000 0.969 157 R CA -1.831 54.243 56.100 -0.043 0.000 0.898 157 R CB 1.634 31.916 30.300 -0.029 0.000 1.183 157 R HN -0.154 nan 8.270 nan 0.000 0.456 158 P HA -0.061 nan 4.420 nan 0.000 0.264 158 P C -0.568 176.507 177.300 -0.376 0.000 1.193 158 P CA 0.320 63.236 63.100 -0.307 0.000 0.763 158 P CB 0.591 31.998 31.700 -0.488 0.000 0.810 159 E N 4.033 124.070 120.200 -0.271 0.000 2.280 159 E HA 0.281 4.617 4.350 -0.023 0.000 0.264 159 E C -2.217 174.232 176.600 -0.251 0.000 1.064 159 E CA -2.083 54.242 56.400 -0.124 0.000 0.900 159 E CB 0.007 29.751 29.700 0.073 0.000 1.123 159 E HN 0.271 nan 8.360 nan 0.000 0.418 160 P HA -0.046 nan 4.420 nan 0.000 0.264 160 P C -0.091 177.049 177.300 -0.268 0.000 1.193 160 P CA 0.198 63.011 63.100 -0.477 0.000 0.763 160 P CB 0.076 30.983 31.700 -1.320 0.000 0.810 161 T N 2.041 116.521 114.554 -0.123 0.000 2.856 161 T HA 0.017 4.353 4.350 -0.023 0.000 0.329 161 T C -1.604 173.143 174.700 0.079 0.000 1.094 161 T CA -0.875 61.221 62.100 -0.008 0.000 1.112 161 T CB -0.470 68.398 68.868 -0.001 0.000 1.009 161 T HN 0.216 nan 8.240 nan 0.000 0.550 162 P HA -0.112 nan 4.420 nan 0.000 0.217 162 P C 1.490 178.859 177.300 0.113 0.000 1.151 162 P CA 1.262 64.470 63.100 0.180 0.000 0.849 162 P CB 0.065 31.830 31.700 0.110 0.000 0.787 163 E N -0.688 119.536 120.200 0.040 0.000 2.152 163 E HA -0.153 4.183 4.350 -0.023 0.000 0.192 163 E C 1.902 178.474 176.600 -0.045 0.000 0.983 163 E CA 0.814 57.214 56.400 -0.000 0.000 0.818 163 E CB -0.103 29.587 29.700 -0.016 0.000 0.758 163 E HN 0.421 nan 8.360 nan 0.000 0.467 164 E N -0.133 120.019 120.200 -0.080 0.000 2.046 164 E HA -0.169 4.167 4.350 -0.023 0.000 0.190 164 E C 1.790 178.258 176.600 -0.220 0.000 0.982 164 E CA 0.795 57.094 56.400 -0.168 0.000 0.800 164 E CB -0.185 29.398 29.700 -0.196 0.000 0.756 164 E HN 0.328 nan 8.360 nan 0.000 0.449 165 W N 2.053 123.255 121.300 -0.164 0.000 2.304 165 W HA -0.262 4.384 4.660 -0.024 0.000 0.315 165 W C 2.045 178.198 176.519 -0.609 0.000 1.233 165 W CA 0.891 58.009 57.345 -0.378 0.000 1.261 165 W CB -0.230 29.072 29.460 -0.264 0.000 1.150 165 W HN 0.100 nan 8.180 nan 0.000 0.494 166 D N -0.154 120.211 120.400 -0.059 0.000 2.092 166 D HA -0.203 4.423 4.640 -0.023 0.000 0.193 166 D C 2.013 178.300 176.300 -0.021 0.000 0.994 166 D CA 1.539 55.533 54.000 -0.010 0.000 0.828 166 D CB -0.981 39.842 40.800 0.039 0.000 0.963 166 D HN 0.073 nan 8.370 nan 0.000 0.450 167 L N 0.782 121.965 121.223 -0.067 0.000 2.046 167 L HA -0.097 4.229 4.340 -0.023 0.000 0.208 167 L C 2.208 179.077 176.870 -0.000 0.000 1.077 167 L CA 1.229 56.026 54.840 -0.073 0.000 0.747 167 L CB -0.441 41.495 42.059 -0.206 0.000 0.896 167 L HN -0.003 nan 8.230 nan 0.000 0.432 168 I N -1.156 119.367 120.570 -0.078 0.000 2.179 168 I HA -0.360 3.796 4.170 -0.023 0.000 0.242 168 I C 2.315 178.464 176.117 0.053 0.000 1.088 168 I CA 1.679 62.935 61.300 -0.073 0.000 1.357 168 I CB -0.406 37.474 38.000 -0.200 0.000 1.051 168 I HN 0.397 nan 8.210 nan 0.000 0.409 169 H N 0.125 119.260 119.070 0.110 0.000 2.357 169 H HA -0.109 4.433 4.556 -0.024 0.000 0.301 169 H C 2.370 177.740 175.328 0.071 0.000 1.082 169 H CA 1.308 57.413 56.048 0.096 0.000 1.342 169 H CB 0.042 29.864 29.762 0.100 0.000 1.389 169 H HN 0.261 nan 8.280 nan 0.000 0.511 170 I N 0.750 121.428 120.570 0.180 0.000 2.179 170 I HA -0.254 3.902 4.170 -0.023 0.000 0.242 170 I C 2.801 178.979 176.117 0.102 0.000 1.088 170 I CA 0.855 62.225 61.300 0.117 0.000 1.357 170 I CB -0.298 37.752 38.000 0.084 0.000 1.051 170 I HN 0.296 nan 8.210 nan 0.000 0.409 171 A N 0.414 123.311 122.820 0.128 0.000 1.908 171 A HA -0.219 4.087 4.320 -0.023 0.000 0.218 171 A C 2.393 180.096 177.584 0.197 0.000 1.181 171 A CA 2.562 54.682 52.037 0.139 0.000 0.627 171 A CB -1.150 17.944 19.000 0.156 0.000 0.818 171 A HN 0.403 nan 8.150 nan 0.000 0.445 172 T N -0.101 114.541 114.554 0.146 0.000 2.708 172 T HA -0.108 4.228 4.350 -0.023 0.000 0.266 172 T C 1.832 176.627 174.700 0.158 0.000 1.037 172 T CA 1.516 63.705 62.100 0.148 0.000 1.146 172 T CB -0.228 68.704 68.868 0.108 0.000 0.865 172 T HN 0.452 nan 8.240 nan 0.000 0.435 173 E N 1.218 121.493 120.200 0.124 0.000 2.106 173 E HA 0.059 4.395 4.350 -0.023 0.000 0.192 173 E C 2.526 179.184 176.600 0.095 0.000 0.984 173 E CA 0.969 57.421 56.400 0.086 0.000 0.806 173 E CB -0.630 29.110 29.700 0.065 0.000 0.750 173 E HN 0.497 nan 8.360 nan 0.000 0.458 174 A N 1.145 124.037 122.820 0.121 0.000 1.908 174 A HA -0.243 4.063 4.320 -0.023 0.000 0.218 174 A C 2.176 179.970 177.584 0.350 0.000 1.181 174 A CA 1.898 54.014 52.037 0.132 0.000 0.627 174 A CB -0.853 18.118 19.000 -0.048 0.000 0.818 174 A HN 0.425 nan 8.150 nan 0.000 0.445 175 H N -0.471 118.795 119.070 0.327 0.000 2.299 175 H HA -0.063 4.478 4.556 -0.024 0.000 0.302 175 H C 2.401 177.759 175.328 0.050 0.000 1.078 175 H CA 1.539 57.685 56.048 0.163 0.000 1.323 175 H CB -0.038 29.723 29.762 -0.002 0.000 1.381 175 H HN 0.441 nan 8.280 nan 0.000 0.498 176 R N 0.417 120.823 120.500 -0.156 0.000 2.096 176 R HA -0.134 4.192 4.340 -0.023 0.000 0.240 176 R C 2.750 178.981 176.300 -0.115 0.000 1.139 176 R CA 1.941 57.923 56.100 -0.197 0.000 0.952 176 R CB -0.337 29.921 30.300 -0.071 0.000 0.854 176 R HN 0.393 nan 8.270 nan 0.000 0.436 177 S N -0.338 115.344 115.700 -0.031 0.000 2.507 177 S HA -0.081 4.375 4.470 -0.023 0.000 0.235 177 S C 1.635 176.232 174.600 -0.006 0.000 0.988 177 S CA 1.285 59.481 58.200 -0.007 0.000 0.944 177 S CB -0.100 63.108 63.200 0.015 0.000 0.762 177 S HN 0.477 nan 8.310 nan 0.000 0.526 178 T N -1.752 112.796 114.554 -0.011 0.000 3.084 178 T HA 0.303 4.639 4.350 -0.023 0.000 0.270 178 T C -0.008 174.657 174.700 -0.058 0.000 1.008 178 T CA -0.472 61.631 62.100 0.005 0.000 0.900 178 T CB -0.490 68.432 68.868 0.089 0.000 1.084 178 T HN 0.334 nan 8.240 nan 0.000 0.538 179 N N 2.012 120.620 118.700 -0.153 0.000 2.501 179 N HA 0.548 5.274 4.740 -0.023 0.000 0.245 179 N C -0.151 175.283 175.510 -0.127 0.000 0.974 179 N CA -0.397 52.523 53.050 -0.217 0.000 0.941 179 N CB 1.156 39.311 38.487 -0.553 0.000 1.122 179 N HN 0.412 nan 8.380 nan 0.000 0.507 180 A N 3.247 126.019 122.820 -0.079 0.000 2.566 180 A HA 0.101 4.407 4.320 -0.023 0.000 0.245 180 A C 0.411 178.008 177.584 0.021 0.000 1.056 180 A CA 0.265 52.288 52.037 -0.024 0.000 0.757 180 A CB -0.069 18.916 19.000 -0.025 0.000 0.979 180 A HN 0.838 nan 8.150 nan 0.000 0.508 181 Q N 0.827 120.685 119.800 0.097 0.000 2.475 181 Q HA -0.265 4.061 4.340 -0.023 0.000 0.280 181 Q C 1.202 177.333 176.000 0.218 0.000 1.234 181 Q CA 1.382 57.328 55.803 0.239 0.000 0.873 181 Q CB -2.462 26.416 28.738 0.233 0.000 1.256 181 Q HN 2.061 nan 8.270 nan 0.000 0.475 182 G N 0.772 109.606 108.800 0.057 0.000 3.465 182 G HA2 -0.443 3.503 3.960 -0.023 0.000 0.274 182 G HA3 -0.443 3.503 3.960 -0.023 0.000 0.274 182 G C 0.891 175.699 174.900 -0.154 0.000 0.930 182 G CA 1.405 46.426 45.100 -0.131 0.000 0.808 182 G HN 0.560 nan 8.290 nan 0.000 1.233 183 S N 0.611 116.025 115.700 -0.477 0.000 2.650 183 S HA 0.236 4.692 4.470 -0.023 0.000 0.240 183 S C 0.716 175.184 174.600 -0.220 0.000 1.007 183 S CA 0.383 58.466 58.200 -0.195 0.000 0.984 183 S CB 0.087 63.202 63.200 -0.142 0.000 0.910 183 S HN 0.790 nan 8.310 nan 0.000 0.509 184 H N -0.337 118.800 119.070 0.113 0.000 2.475 184 H HA 0.166 4.708 4.556 -0.024 0.000 0.276 184 H C 1.182 176.519 175.328 0.014 0.000 1.126 184 H CA -0.583 55.470 56.048 0.008 0.000 1.023 184 H CB -0.485 29.285 29.762 0.013 0.000 1.669 184 H HN 0.621 nan 8.280 nan 0.000 0.573 185 W N 1.854 123.185 121.300 0.051 0.000 2.584 185 W HA 0.109 4.752 4.660 -0.027 0.000 0.264 185 W C 1.045 177.566 176.519 0.003 0.000 1.264 185 W CA -0.074 57.284 57.345 0.022 0.000 1.306 185 W CB -0.341 29.107 29.460 -0.021 0.000 1.110 185 W HN 0.026 nan 8.180 nan 0.000 0.606 186 K N 0.749 120.693 120.400 -0.760 0.000 2.296 186 K HA -0.120 4.186 4.320 -0.023 0.000 0.200 186 K C 2.078 178.507 176.600 -0.284 0.000 1.048 186 K CA 1.473 57.307 56.287 -0.755 0.000 0.966 186 K CB 0.134 32.014 32.500 -1.033 0.000 0.754 186 K HN -0.019 nan 8.250 nan 0.000 0.466 187 Q N -0.763 118.937 119.800 -0.166 0.000 2.339 187 Q HA 0.118 4.444 4.340 -0.023 0.000 0.205 187 Q C 1.388 177.385 176.000 -0.006 0.000 0.925 187 Q CA 0.728 56.494 55.803 -0.061 0.000 0.898 187 Q CB 0.400 29.114 28.738 -0.040 0.000 1.013 187 Q HN 0.106 nan 8.270 nan 0.000 0.504 188 R N 0.943 121.456 120.500 0.021 0.000 2.246 188 R HA 0.123 4.449 4.340 -0.023 0.000 0.199 188 R C 0.159 176.493 176.300 0.058 0.000 0.984 188 R CA 0.010 56.138 56.100 0.046 0.000 1.015 188 R CB 0.032 30.371 30.300 0.066 0.000 0.930 188 R HN 0.206 nan 8.270 nan 0.000 0.475 189 R N 1.795 122.331 120.500 0.061 0.000 2.442 189 R HA 0.162 4.488 4.340 -0.023 0.000 0.291 189 R C -0.436 175.897 176.300 0.056 0.000 1.069 189 R CA -0.108 56.022 56.100 0.051 0.000 1.022 189 R CB 0.568 30.892 30.300 0.042 0.000 0.976 189 R HN -0.344 nan 8.270 nan 0.000 0.443 190 K N 3.614 124.050 120.400 0.061 0.000 2.235 190 K HA 0.238 4.544 4.320 -0.023 0.000 0.266 190 K C -0.544 176.126 176.600 0.117 0.000 0.980 190 K CA -0.830 55.535 56.287 0.130 0.000 0.849 190 K CB 0.970 33.531 32.500 0.102 0.000 1.098 190 K HN 0.396 nan 8.250 nan 0.000 0.445 191 F N 1.958 121.939 119.950 0.052 0.000 2.629 191 F HA -0.080 4.428 4.527 -0.031 0.000 0.369 191 F C 1.155 176.989 175.800 0.056 0.000 1.125 191 F CA -0.271 57.765 58.000 0.061 0.000 1.330 191 F CB 0.086 39.117 39.000 0.052 0.000 1.071 191 F HN 0.277 nan 8.300 nan 0.000 0.595 192 L N 6.662 128.021 121.223 0.225 0.000 2.418 192 L HA 0.325 4.651 4.340 -0.023 0.000 0.274 192 L C -2.178 174.787 176.870 0.159 0.000 1.135 192 L CA -1.941 52.992 54.840 0.154 0.000 0.870 192 L CB -0.255 41.891 42.059 0.145 0.000 1.154 192 L HN 0.313 nan 8.230 nan 0.000 0.462 193 P HA -0.083 nan 4.420 nan 0.000 0.261 193 P C -0.064 177.276 177.300 0.066 0.000 1.158 193 P CA 0.392 63.535 63.100 0.072 0.000 0.758 193 P CB 0.357 32.079 31.700 0.037 0.000 0.763 194 D N 2.617 123.051 120.400 0.056 0.000 2.310 194 D HA -0.173 4.453 4.640 -0.023 0.000 0.212 194 D C 0.826 177.147 176.300 0.035 0.000 0.965 194 D CA 0.891 54.922 54.000 0.052 0.000 0.879 194 D CB -0.383 40.440 40.800 0.038 0.000 0.921 194 D HN 0.451 nan 8.370 nan 0.000 0.510 195 D N 1.090 121.504 120.400 0.023 0.000 2.317 195 D HA -0.080 4.546 4.640 -0.023 0.000 0.211 195 D C 1.001 177.307 176.300 0.010 0.000 0.966 195 D CA -0.043 53.965 54.000 0.014 0.000 0.876 195 D CB -0.259 40.545 40.800 0.007 0.000 0.927 195 D HN 0.282 nan 8.370 nan 0.000 0.519 196 I N 0.224 120.800 120.570 0.010 0.000 2.371 196 I HA 0.381 4.537 4.170 -0.023 0.000 0.290 196 I C 1.429 177.553 176.117 0.012 0.000 1.028 196 I CA 0.343 61.639 61.300 -0.008 0.000 1.345 196 I CB 1.319 39.296 38.000 -0.039 0.000 1.407 196 I HN 0.254 nan 8.210 nan 0.000 0.501 197 G N 4.436 113.242 108.800 0.010 0.000 2.184 197 G HA2 -0.211 3.735 3.960 -0.023 0.000 0.206 197 G HA3 -0.211 3.735 3.960 -0.023 0.000 0.206 197 G C 0.560 175.493 174.900 0.055 0.000 0.995 197 G CA -0.325 44.805 45.100 0.051 0.000 0.651 197 G HN 0.636 nan 8.290 nan 0.000 0.511 198 Q N -0.247 119.574 119.800 0.034 0.000 2.282 198 Q HA 0.290 4.616 4.340 -0.023 0.000 0.206 198 Q C 0.504 176.517 176.000 0.022 0.000 0.878 198 Q CA 0.568 56.388 55.803 0.028 0.000 0.944 198 Q CB 0.657 29.409 28.738 0.022 0.000 1.100 198 Q HN 0.351 nan 8.270 nan 0.000 0.509 199 S N 2.421 118.133 115.700 0.021 0.000 2.139 199 S HA 0.231 4.687 4.470 -0.023 0.000 0.183 199 S C -2.559 172.051 174.600 0.016 0.000 1.473 199 S CA -0.878 57.331 58.200 0.014 0.000 1.263 199 S CB 0.714 63.918 63.200 0.006 0.000 1.170 199 S HN 0.116 nan 8.310 nan 0.000 0.430 200 P HA 0.210 nan 4.420 nan 0.000 0.269 200 P C 0.552 177.857 177.300 0.009 0.000 1.263 200 P CA -0.096 63.018 63.100 0.023 0.000 0.813 200 P CB 0.108 31.826 31.700 0.031 0.000 0.868 201 I N 0.523 121.092 120.570 -0.001 0.000 4.592 201 I HA 0.164 4.320 4.170 -0.023 0.000 0.329 201 I C -0.120 175.985 176.117 -0.020 0.000 1.309 201 I CA -0.157 61.137 61.300 -0.010 0.000 1.243 201 I CB 0.532 38.526 38.000 -0.010 0.000 1.241 201 I HN -0.191 nan 8.210 nan 0.000 0.434 202 V N 3.041 122.938 119.914 -0.029 0.000 2.508 202 V HA 0.229 4.335 4.120 -0.023 0.000 0.281 202 V C 0.724 176.798 176.094 -0.033 0.000 1.041 202 V CA 0.122 62.396 62.300 -0.043 0.000 1.016 202 V CB 0.998 32.775 31.823 -0.076 0.000 0.984 202 V HN 0.282 nan 8.190 nan 0.000 0.478 203 S N 5.898 121.577 115.700 -0.034 0.000 2.592 203 S HA 0.576 5.032 4.470 -0.023 0.000 0.271 203 S C -0.136 174.442 174.600 -0.038 0.000 1.326 203 S CA -0.468 57.713 58.200 -0.032 0.000 1.024 203 S CB 0.646 63.825 63.200 -0.035 0.000 0.921 203 S HN 0.569 nan 8.310 nan 0.000 0.527 204 M N 2.135 121.714 119.600 -0.035 0.000 2.530 204 M HA 0.350 4.816 4.480 -0.023 0.000 0.307 204 M C -1.947 174.300 176.300 -0.089 0.000 1.161 204 M CA -2.376 52.898 55.300 -0.044 0.000 0.903 204 M CB 0.855 33.460 32.600 0.008 0.000 1.711 204 M HN 0.237 nan 8.290 nan 0.000 0.451 205 P HA -0.192 nan 4.420 nan 0.000 0.217 205 P C 0.554 177.787 177.300 -0.111 0.000 1.151 205 P CA 1.541 64.504 63.100 -0.229 0.000 0.849 205 P CB 0.043 31.429 31.700 -0.524 0.000 0.787 206 D N -2.089 118.279 120.400 -0.054 0.000 2.340 206 D HA 0.079 4.705 4.640 -0.023 0.000 0.220 206 D C 1.379 177.678 176.300 -0.002 0.000 1.039 206 D CA 0.632 54.629 54.000 -0.006 0.000 0.866 206 D CB -0.840 39.983 40.800 0.038 0.000 0.913 206 D HN 0.248 nan 8.370 nan 0.000 0.523 207 G N 0.039 108.832 108.800 -0.011 0.000 2.176 207 G HA2 -0.241 3.705 3.960 -0.023 0.000 0.253 207 G HA3 -0.241 3.705 3.960 -0.023 0.000 0.253 207 G C -0.409 174.494 174.900 0.004 0.000 0.979 207 G CA 0.090 45.186 45.100 -0.007 0.000 0.641 207 G HN 0.410 nan 8.290 nan 0.000 0.530 208 D N 1.589 121.998 120.400 0.016 0.000 2.396 208 D HA 0.406 5.032 4.640 -0.023 0.000 0.225 208 D C 0.821 177.139 176.300 0.030 0.000 1.121 208 D CA 0.010 54.026 54.000 0.027 0.000 0.853 208 D CB 0.694 41.517 40.800 0.039 0.000 1.043 208 D HN 0.354 nan 8.370 nan 0.000 0.500 209 K N 0.553 120.966 120.400 0.023 0.000 2.138 209 K HA 0.413 4.719 4.320 -0.023 0.000 0.251 209 K C -0.153 176.466 176.600 0.033 0.000 1.015 209 K CA -0.734 55.563 56.287 0.017 0.000 0.917 209 K CB 1.269 33.772 32.500 0.005 0.000 1.021 209 K HN 0.097 nan 8.250 nan 0.000 0.485 210 V N 1.322 121.247 119.914 0.018 0.000 2.435 210 V HA 0.050 4.156 4.120 -0.023 0.000 0.290 210 V C -0.202 175.902 176.094 0.017 0.000 1.030 210 V CA -0.801 61.518 62.300 0.031 0.000 0.881 210 V CB 1.477 33.295 31.823 -0.009 0.000 0.983 210 V HN 0.677 nan 8.190 nan 0.000 0.445 211 D N 3.804 124.236 120.400 0.053 0.000 2.380 211 D HA 0.266 4.892 4.640 -0.023 0.000 0.230 211 D C 0.989 177.317 176.300 0.048 0.000 1.154 211 D CA -0.112 53.911 54.000 0.038 0.000 0.859 211 D CB 1.272 42.101 40.800 0.048 0.000 1.045 211 D HN 0.438 nan 8.370 nan 0.000 0.495 212 L N 2.953 124.181 121.223 0.008 0.000 2.043 212 L HA -0.172 4.154 4.340 -0.023 0.000 0.212 212 L C 2.302 179.198 176.870 0.043 0.000 1.075 212 L CA 1.264 56.110 54.840 0.010 0.000 0.752 212 L CB -0.243 41.798 42.059 -0.030 0.000 0.891 212 L HN 0.546 nan 8.230 nan 0.000 0.432 213 E N 0.144 120.344 120.200 0.001 0.000 2.077 213 E HA -0.251 4.085 4.350 -0.023 0.000 0.193 213 E C 2.190 178.735 176.600 -0.092 0.000 0.989 213 E CA 1.244 57.625 56.400 -0.032 0.000 0.800 213 E CB 0.017 29.694 29.700 -0.038 0.000 0.746 213 E HN 0.475 nan 8.360 nan 0.000 0.452 214 A N 0.667 123.421 122.820 -0.110 0.000 1.873 214 A HA -0.156 4.150 4.320 -0.023 0.000 0.215 214 A C 2.011 179.373 177.584 -0.370 0.000 1.186 214 A CA 1.202 53.045 52.037 -0.323 0.000 0.616 214 A CB -0.976 17.902 19.000 -0.204 0.000 0.823 214 A HN 0.511 nan 8.150 nan 0.000 0.442 215 F N 1.092 120.945 119.950 -0.162 0.000 2.087 215 F HA -0.256 4.255 4.527 -0.027 0.000 0.299 215 F C 2.723 178.457 175.800 -0.112 0.000 1.100 215 F CA 2.109 60.081 58.000 -0.047 0.000 1.226 215 F CB -0.402 38.584 39.000 -0.024 0.000 0.983 215 F HN 0.249 nan 8.300 nan 0.000 0.479 216 S N -0.150 115.564 115.700 0.024 0.000 2.374 216 S HA -0.227 4.229 4.470 -0.023 0.000 0.227 216 S C 2.061 176.547 174.600 -0.190 0.000 1.037 216 S CA 1.672 59.825 58.200 -0.078 0.000 1.024 216 S CB -0.487 62.707 63.200 -0.010 0.000 0.861 216 S HN 0.512 nan 8.310 nan 0.000 0.456 217 E N 0.428 120.463 120.200 -0.275 0.000 2.051 217 E HA -0.083 4.253 4.350 -0.023 0.000 0.192 217 E C 1.858 178.320 176.600 -0.230 0.000 0.991 217 E CA 1.196 57.423 56.400 -0.288 0.000 0.799 217 E CB -0.576 28.901 29.700 -0.371 0.000 0.748 217 E HN 0.737 nan 8.360 nan 0.000 0.449 218 F N 1.138 120.993 119.950 -0.158 0.000 2.084 218 F HA -0.176 4.334 4.527 -0.028 0.000 0.296 218 F C 2.861 178.466 175.800 -0.326 0.000 1.111 218 F CA 1.315 59.187 58.000 -0.213 0.000 1.224 218 F CB -0.654 38.222 39.000 -0.207 0.000 0.991 218 F HN 0.078 nan 8.300 nan 0.000 0.471 219 T N -1.832 112.529 114.554 -0.321 0.000 3.007 219 T HA -0.125 4.211 4.350 -0.023 0.000 0.270 219 T C 1.638 176.201 174.700 -0.229 0.000 1.107 219 T CA 0.958 62.791 62.100 -0.445 0.000 1.118 219 T CB -0.288 68.165 68.868 -0.691 0.000 0.889 219 T HN 0.046 nan 8.240 nan 0.000 0.506 220 K N 1.335 121.643 120.400 -0.153 0.000 2.148 220 K HA 0.168 4.474 4.320 -0.023 0.000 0.204 220 K C 1.977 178.540 176.600 -0.062 0.000 1.050 220 K CA 1.230 57.467 56.287 -0.083 0.000 0.942 220 K CB -0.330 32.131 32.500 -0.065 0.000 0.724 220 K HN 0.789 nan 8.250 nan 0.000 0.446 221 I N -2.783 117.746 120.570 -0.067 0.000 3.956 221 I HA 0.183 4.339 4.170 -0.023 0.000 0.333 221 I C 1.454 177.534 176.117 -0.062 0.000 1.302 221 I CA 0.087 61.361 61.300 -0.045 0.000 1.122 221 I CB 0.130 38.118 38.000 -0.020 0.000 1.013 221 I HN -0.054 nan 8.210 nan 0.000 0.405 222 I N 1.628 122.132 120.570 -0.110 0.000 2.439 222 I HA -0.199 3.957 4.170 -0.023 0.000 0.251 222 I C 2.201 178.289 176.117 -0.048 0.000 1.139 222 I CA 1.453 62.675 61.300 -0.129 0.000 1.438 222 I CB 0.088 37.902 38.000 -0.310 0.000 1.085 222 I HN 0.256 nan 8.210 nan 0.000 0.427 223 T N 1.841 116.384 114.554 -0.019 0.000 2.674 223 T HA -0.065 4.271 4.350 -0.023 0.000 0.265 223 T C -0.585 174.123 174.700 0.013 0.000 1.039 223 T CA 1.560 63.675 62.100 0.025 0.000 1.150 223 T CB -1.393 67.498 68.868 0.039 0.000 0.864 223 T HN 0.312 nan 8.240 nan 0.000 0.427 224 P HA 0.071 nan 4.420 nan 0.000 0.218 224 P C 1.414 178.709 177.300 -0.008 0.000 1.149 224 P CA 1.040 64.140 63.100 -0.001 0.000 0.817 224 P CB -0.224 31.473 31.700 -0.004 0.000 0.785 225 A N -0.149 122.660 122.820 -0.018 0.000 1.858 225 A HA -0.183 4.123 4.320 -0.023 0.000 0.216 225 A C 2.218 179.793 177.584 -0.015 0.000 1.190 225 A CA 1.582 53.603 52.037 -0.028 0.000 0.617 225 A CB -1.670 17.300 19.000 -0.049 0.000 0.827 225 A HN 0.109 nan 8.150 nan 0.000 0.443 226 I N -0.251 120.323 120.570 0.007 0.000 2.264 226 I HA -0.253 3.903 4.170 -0.023 0.000 0.248 226 I C 2.574 178.689 176.117 -0.003 0.000 1.111 226 I CA 1.777 63.084 61.300 0.013 0.000 1.382 226 I CB -0.541 37.485 38.000 0.043 0.000 1.060 226 I HN 0.271 nan 8.210 nan 0.000 0.418 227 T N 0.213 114.769 114.554 0.004 0.000 2.746 227 T HA -0.169 4.167 4.350 -0.023 0.000 0.267 227 T C 1.980 176.682 174.700 0.003 0.000 1.039 227 T CA 1.215 63.318 62.100 0.005 0.000 1.142 227 T CB -0.243 68.631 68.868 0.010 0.000 0.866 227 T HN 0.303 nan 8.240 nan 0.000 0.444 228 R N 0.358 120.859 120.500 0.001 0.000 2.193 228 R HA -0.007 4.319 4.340 -0.023 0.000 0.229 228 R C 2.271 178.587 176.300 0.026 0.000 1.110 228 R CA 0.636 56.741 56.100 0.009 0.000 0.988 228 R CB -0.349 29.947 30.300 -0.007 0.000 0.871 228 R HN 0.277 nan 8.270 nan 0.000 0.458 229 V N -0.162 119.755 119.914 0.005 0.000 2.446 229 V HA -0.149 3.957 4.120 -0.023 0.000 0.244 229 V C 2.250 178.350 176.094 0.010 0.000 1.039 229 V CA 1.153 63.461 62.300 0.013 0.000 1.045 229 V CB -0.074 31.728 31.823 -0.035 0.000 0.681 229 V HN 0.060 nan 8.190 nan 0.000 0.459 230 V N 0.589 120.486 119.914 -0.029 0.000 2.282 230 V HA -0.305 3.801 4.120 -0.023 0.000 0.249 230 V C 2.285 178.340 176.094 -0.067 0.000 1.057 230 V CA 2.319 64.584 62.300 -0.058 0.000 1.032 230 V CB -0.823 30.991 31.823 -0.016 0.000 0.645 230 V HN 0.543 nan 8.190 nan 0.000 0.447 231 D N -0.442 119.949 120.400 -0.015 0.000 2.144 231 D HA -0.179 4.447 4.640 -0.023 0.000 0.199 231 D C 1.863 178.152 176.300 -0.018 0.000 0.984 231 D CA 1.394 55.390 54.000 -0.007 0.000 0.834 231 D CB -0.359 40.452 40.800 0.018 0.000 0.955 231 D HN 0.526 nan 8.370 nan 0.000 0.465 232 F N 1.819 121.693 119.950 -0.127 0.000 2.075 232 F HA -0.120 4.394 4.527 -0.021 0.000 0.297 232 F C 2.209 177.883 175.800 -0.210 0.000 1.113 232 F CA 1.683 59.604 58.000 -0.131 0.000 1.218 232 F CB -0.439 38.491 39.000 -0.116 0.000 0.984 232 F HN -0.053 nan 8.300 nan 0.000 0.472 233 A N 0.482 122.949 122.820 -0.589 0.000 1.908 233 A HA -0.246 4.060 4.320 -0.023 0.000 0.218 233 A C 2.209 179.318 177.584 -0.791 0.000 1.181 233 A CA 2.115 53.533 52.037 -1.031 0.000 0.627 233 A CB -0.809 17.348 19.000 -1.404 0.000 0.818 233 A HN 0.528 nan 8.150 nan 0.000 0.445 234 K N -0.473 119.702 120.400 -0.376 0.000 2.288 234 K HA -0.031 4.275 4.320 -0.023 0.000 0.201 234 K C 1.534 178.103 176.600 -0.051 0.000 1.048 234 K CA 1.172 57.447 56.287 -0.021 0.000 0.956 234 K CB -0.030 32.491 32.500 0.035 0.000 0.746 234 K HN 0.406 nan 8.250 nan 0.000 0.461 235 K N 0.511 120.807 120.400 -0.173 0.000 2.487 235 K HA 0.103 4.409 4.320 -0.023 0.000 0.192 235 K C -0.174 176.344 176.600 -0.138 0.000 1.027 235 K CA 0.202 56.411 56.287 -0.130 0.000 1.054 235 K CB 0.264 32.692 32.500 -0.120 0.000 0.824 235 K HN 0.042 nan 8.250 nan 0.000 0.510 236 L N 1.856 122.969 121.223 -0.184 0.000 2.255 236 L HA 0.178 4.504 4.340 -0.023 0.000 0.289 236 L C -1.864 175.038 176.870 0.053 0.000 1.046 236 L CA -1.896 52.888 54.840 -0.093 0.000 0.816 236 L CB 1.032 42.954 42.059 -0.228 0.000 1.197 236 L HN -0.164 nan 8.230 nan 0.000 0.427 237 P HA -0.150 nan 4.420 nan 0.000 0.216 237 P C 1.617 178.959 177.300 0.070 0.000 1.150 237 P CA 1.494 64.626 63.100 0.054 0.000 0.843 237 P CB 0.221 31.939 31.700 0.031 0.000 0.787 238 M N -3.228 116.433 119.600 0.102 0.000 2.460 238 M HA -0.092 4.375 4.480 -0.023 0.000 0.263 238 M C 1.746 178.118 176.300 0.119 0.000 1.071 238 M CA 1.323 56.685 55.300 0.103 0.000 1.096 238 M CB -0.499 32.180 32.600 0.133 0.000 1.408 238 M HN -0.058 nan 8.290 nan 0.000 0.463 239 F N -0.073 119.876 119.950 -0.002 0.000 2.188 239 F HA -0.020 4.493 4.527 -0.023 0.000 0.289 239 F C 2.340 178.121 175.800 -0.032 0.000 1.082 239 F CA 1.120 59.103 58.000 -0.029 0.000 1.282 239 F CB -0.162 38.793 39.000 -0.075 0.000 1.060 239 F HN -0.094 nan 8.300 nan 0.000 0.493 240 S N 0.552 116.324 115.700 0.120 0.000 2.387 240 S HA -0.274 4.182 4.470 -0.023 0.000 0.230 240 S C 1.686 176.234 174.600 -0.088 0.000 1.035 240 S CA 1.693 59.902 58.200 0.015 0.000 1.014 240 S CB -0.759 62.481 63.200 0.066 0.000 0.836 240 S HN 0.722 nan 8.310 nan 0.000 0.466 241 E N 0.740 120.897 120.200 -0.072 0.000 2.502 241 E HA 0.101 4.437 4.350 -0.023 0.000 0.194 241 E C 0.131 176.666 176.600 -0.108 0.000 1.062 241 E CA -0.069 56.289 56.400 -0.070 0.000 0.867 241 E CB -0.210 29.469 29.700 -0.035 0.000 0.888 241 E HN 0.380 nan 8.360 nan 0.000 0.510 242 L N 2.609 123.720 121.223 -0.186 0.000 2.436 242 L HA 0.254 4.580 4.340 -0.023 0.000 0.265 242 L C -1.855 174.901 176.870 -0.190 0.000 1.168 242 L CA -2.327 52.393 54.840 -0.201 0.000 0.815 242 L CB 0.198 42.077 42.059 -0.300 0.000 1.109 242 L HN -0.000 nan 8.230 nan 0.000 0.462 243 P HA -0.093 nan 4.420 nan 0.000 0.266 243 P C 0.652 177.865 177.300 -0.145 0.000 1.195 243 P CA -0.163 62.868 63.100 -0.115 0.000 0.768 243 P CB 0.496 32.147 31.700 -0.082 0.000 0.838 244 C N 2.726 121.957 119.300 -0.116 0.000 2.410 244 C HA -0.135 4.311 4.460 -0.023 0.000 0.281 244 C C 2.136 177.077 174.990 -0.083 0.000 1.318 244 C CA 0.925 59.878 59.018 -0.108 0.000 1.776 244 C CB -1.777 25.924 27.740 -0.065 0.000 1.942 244 C HN 0.551 nan 8.230 nan 0.000 0.508 245 E N 1.366 121.526 120.200 -0.068 0.000 2.058 245 E HA -0.157 4.179 4.350 -0.023 0.000 0.194 245 E C 1.849 178.414 176.600 -0.057 0.000 0.997 245 E CA 2.177 58.546 56.400 -0.051 0.000 0.801 245 E CB -0.295 29.380 29.700 -0.042 0.000 0.746 245 E HN 0.649 nan 8.360 nan 0.000 0.450 246 D N 0.190 120.542 120.400 -0.081 0.000 2.097 246 D HA -0.146 4.480 4.640 -0.023 0.000 0.195 246 D C 1.953 178.189 176.300 -0.107 0.000 0.989 246 D CA 0.935 54.883 54.000 -0.086 0.000 0.827 246 D CB -0.261 40.476 40.800 -0.105 0.000 0.966 246 D HN 0.203 nan 8.370 nan 0.000 0.456 247 Q N 0.054 119.724 119.800 -0.217 0.000 2.062 247 Q HA -0.174 4.152 4.340 -0.023 0.000 0.209 247 Q C 2.459 178.501 176.000 0.069 0.000 0.996 247 Q CA 1.136 56.781 55.803 -0.263 0.000 0.859 247 Q CB -0.197 28.289 28.738 -0.420 0.000 0.920 247 Q HN 0.373 nan 8.270 nan 0.000 0.415 248 I N 0.101 120.681 120.570 0.016 0.000 2.208 248 I HA -0.299 3.857 4.170 -0.023 0.000 0.245 248 I C 2.174 178.299 176.117 0.014 0.000 1.097 248 I CA 1.159 62.473 61.300 0.023 0.000 1.363 248 I CB -0.252 37.743 38.000 -0.008 0.000 1.051 248 I HN 0.220 nan 8.210 nan 0.000 0.413 249 I N 0.307 120.880 120.570 0.006 0.000 2.286 249 I HA -0.262 3.894 4.170 -0.023 0.000 0.245 249 I C 2.411 178.543 176.117 0.025 0.000 1.104 249 I CA 1.200 62.501 61.300 0.002 0.000 1.397 249 I CB -0.178 37.820 38.000 -0.004 0.000 1.072 249 I HN 0.163 nan 8.210 nan 0.000 0.417 250 L N 0.008 121.271 121.223 0.067 0.000 2.046 250 L HA -0.229 4.097 4.340 -0.023 0.000 0.208 250 L C 2.499 179.426 176.870 0.096 0.000 1.077 250 L CA 1.386 56.292 54.840 0.110 0.000 0.747 250 L CB -0.549 41.638 42.059 0.212 0.000 0.896 250 L HN 0.276 nan 8.230 nan 0.000 0.432 251 L N -0.360 120.926 121.223 0.105 0.000 2.027 251 L HA -0.203 4.123 4.340 -0.023 0.000 0.206 251 L C 2.647 179.480 176.870 -0.061 0.000 1.074 251 L CA 1.378 56.231 54.840 0.022 0.000 0.745 251 L CB -0.458 41.622 42.059 0.035 0.000 0.898 251 L HN 0.189 nan 8.230 nan 0.000 0.433 252 K N -0.022 120.329 120.400 -0.083 0.000 2.097 252 K HA -0.113 4.193 4.320 -0.023 0.000 0.206 252 K C 2.024 178.592 176.600 -0.053 0.000 1.049 252 K CA 1.326 57.524 56.287 -0.147 0.000 0.933 252 K CB -0.486 31.938 32.500 -0.127 0.000 0.717 252 K HN 0.403 nan 8.250 nan 0.000 0.442 253 G N 0.778 109.574 108.800 -0.007 0.000 2.572 253 G HA2 -0.184 3.762 3.960 -0.023 0.000 0.216 253 G HA3 -0.184 3.762 3.960 -0.023 0.000 0.216 253 G C 1.454 176.374 174.900 0.034 0.000 1.133 253 G CA 0.934 46.048 45.100 0.023 0.000 0.791 253 G HN 0.530 nan 8.290 nan 0.000 0.538 254 C N -3.239 116.073 119.300 0.021 0.000 3.785 254 C HA 0.355 4.801 4.460 -0.023 0.000 0.312 254 C C 2.287 177.280 174.990 0.005 0.000 1.566 254 C CA -0.149 58.875 59.018 0.010 0.000 1.837 254 C CB -0.841 26.898 27.740 -0.002 0.000 2.826 254 C HN 0.272 nan 8.230 nan 0.000 0.667 255 C N 1.464 120.771 119.300 0.012 0.000 2.413 255 C HA -0.126 4.320 4.460 -0.023 0.000 0.277 255 C C 2.725 177.771 174.990 0.093 0.000 1.228 255 C CA 2.371 61.399 59.018 0.017 0.000 1.731 255 C CB -1.055 26.622 27.740 -0.105 0.000 2.042 255 C HN 0.690 nan 8.230 nan 0.000 0.468 256 M N 1.002 120.730 119.600 0.214 0.000 2.159 256 M HA -0.104 4.362 4.480 -0.023 0.000 0.263 256 M C 1.869 178.130 176.300 -0.065 0.000 1.063 256 M CA 1.754 57.065 55.300 0.018 0.000 1.110 256 M CB -0.925 31.578 32.600 -0.162 0.000 1.374 256 M HN 0.473 nan 8.290 nan 0.000 0.411 257 E N -0.589 119.591 120.200 -0.034 0.000 2.077 257 E HA -0.180 4.157 4.350 -0.023 0.000 0.193 257 E C 2.030 178.559 176.600 -0.119 0.000 0.989 257 E CA 1.666 58.021 56.400 -0.075 0.000 0.800 257 E CB -0.234 29.434 29.700 -0.053 0.000 0.746 257 E HN 0.537 nan 8.360 nan 0.000 0.452 258 I N 0.268 120.764 120.570 -0.123 0.000 2.333 258 I HA -0.200 3.956 4.170 -0.023 0.000 0.246 258 I C 2.370 178.377 176.117 -0.185 0.000 1.106 258 I CA 0.722 61.910 61.300 -0.186 0.000 1.411 258 I CB -0.093 37.777 38.000 -0.216 0.000 1.082 258 I HN 0.143 nan 8.210 nan 0.000 0.420 259 M N 0.006 119.524 119.600 -0.137 0.000 2.117 259 M HA -0.192 4.274 4.480 -0.023 0.000 0.262 259 M C 2.477 178.673 176.300 -0.173 0.000 1.065 259 M CA 1.694 56.911 55.300 -0.139 0.000 1.114 259 M CB -0.361 32.180 32.600 -0.098 0.000 1.361 259 M HN 0.152 nan 8.290 nan 0.000 0.408 260 S N 0.864 116.458 115.700 -0.176 0.000 2.368 260 S HA -0.116 4.340 4.470 -0.023 0.000 0.224 260 S C 1.708 176.189 174.600 -0.199 0.000 1.029 260 S CA 1.065 59.152 58.200 -0.189 0.000 0.988 260 S CB -0.384 62.714 63.200 -0.170 0.000 0.838 260 S HN 0.349 nan 8.310 nan 0.000 0.462 261 L N 2.264 123.369 121.223 -0.196 0.000 1.994 261 L HA -0.022 4.304 4.340 -0.023 0.000 0.208 261 L C 2.187 178.925 176.870 -0.220 0.000 1.071 261 L CA 1.743 56.458 54.840 -0.208 0.000 0.745 261 L CB -0.661 41.268 42.059 -0.218 0.000 0.892 261 L HN 0.083 nan 8.230 nan 0.000 0.431 262 R N -0.285 120.082 120.500 -0.221 0.000 2.103 262 R HA -0.197 4.129 4.340 -0.023 0.000 0.242 262 R C 2.266 178.411 176.300 -0.258 0.000 1.142 262 R CA 1.573 57.543 56.100 -0.218 0.000 0.960 262 R CB -0.820 29.369 30.300 -0.184 0.000 0.858 262 R HN 0.599 nan 8.270 nan 0.000 0.439 263 A N 1.178 123.848 122.820 -0.251 0.000 1.858 263 A HA -0.146 4.160 4.320 -0.023 0.000 0.216 263 A C 2.408 179.819 177.584 -0.287 0.000 1.190 263 A CA 1.774 53.644 52.037 -0.278 0.000 0.617 263 A CB -0.871 17.970 19.000 -0.264 0.000 0.827 263 A HN 0.420 nan 8.150 nan 0.000 0.443 264 A N -0.058 122.607 122.820 -0.258 0.000 1.940 264 A HA -0.065 4.241 4.320 -0.023 0.000 0.219 264 A C 2.218 179.698 177.584 -0.174 0.000 1.176 264 A CA 2.208 54.106 52.037 -0.231 0.000 0.631 264 A CB -1.302 17.560 19.000 -0.230 0.000 0.814 264 A HN 1.274 nan 8.150 nan 0.000 0.446 265 V N -3.330 116.465 119.914 -0.198 0.000 3.305 265 V HA 0.074 4.180 4.120 -0.023 0.000 0.269 265 V C 1.407 177.362 176.094 -0.231 0.000 1.157 265 V CA 1.632 63.837 62.300 -0.158 0.000 1.157 265 V CB -0.810 30.927 31.823 -0.144 0.000 0.772 265 V HN 0.482 nan 8.190 nan 0.000 0.498 266 R N -0.871 119.407 120.500 -0.370 0.000 2.613 266 R HA 0.294 4.620 4.340 -0.023 0.000 0.361 266 R C -0.209 175.939 176.300 -0.253 0.000 1.072 266 R CA -0.595 55.096 56.100 -0.682 0.000 1.089 266 R CB 0.217 29.854 30.300 -1.104 0.000 1.343 266 R HN 0.592 nan 8.270 nan 0.000 0.571 267 Y N 1.972 122.158 120.300 -0.190 0.000 2.677 267 Y HA -0.048 4.482 4.550 -0.032 0.000 0.335 267 Y C -0.188 175.767 175.900 0.092 0.000 1.162 267 Y CA -0.525 57.517 58.100 -0.096 0.000 1.483 267 Y CB 0.200 38.587 38.460 -0.122 0.000 1.209 267 Y HN 0.041 nan 8.280 nan 0.000 0.528 268 D N 8.425 128.507 120.400 -0.530 0.000 2.373 268 D HA 0.311 4.937 4.640 -0.023 0.000 0.227 268 D C -2.143 173.773 176.300 -0.641 0.000 1.091 268 D CA -2.290 51.497 54.000 -0.355 0.000 0.840 268 D CB 1.750 42.516 40.800 -0.058 0.000 1.060 268 D HN 0.302 nan 8.370 nan 0.000 0.502 269 P HA -0.119 nan 4.420 nan 0.000 0.216 269 P C 0.696 177.989 177.300 -0.013 0.000 1.153 269 P CA 1.086 64.122 63.100 -0.106 0.000 0.848 269 P CB 0.273 32.041 31.700 0.113 0.000 0.787 270 E N -0.092 120.106 120.200 -0.004 0.000 2.038 270 E HA -0.163 4.173 4.350 -0.023 0.000 0.195 270 E C 2.110 178.742 176.600 0.053 0.000 1.000 270 E CA 1.985 58.404 56.400 0.032 0.000 0.803 270 E CB -0.621 29.096 29.700 0.028 0.000 0.750 270 E HN 0.316 nan 8.360 nan 0.000 0.448 271 S N 0.198 115.939 115.700 0.068 0.000 2.461 271 S HA -0.086 4.370 4.470 -0.023 0.000 0.228 271 S C 0.531 175.220 174.600 0.147 0.000 1.005 271 S CA 0.686 58.974 58.200 0.146 0.000 0.942 271 S CB 0.145 63.529 63.200 0.307 0.000 0.776 271 S HN 0.263 nan 8.310 nan 0.000 0.514 272 D N 1.179 121.624 120.400 0.076 0.000 2.760 272 D HA -0.127 4.499 4.640 -0.023 0.000 0.244 272 D C -0.307 176.183 176.300 0.318 0.000 1.096 272 D CA 1.100 55.205 54.000 0.175 0.000 0.716 272 D CB -1.561 39.371 40.800 0.221 0.000 1.075 272 D HN 0.742 nan 8.370 nan 0.000 0.434 273 T N -1.713 112.926 114.554 0.141 0.000 2.906 273 T HA 0.722 5.058 4.350 -0.023 0.000 0.295 273 T C 0.390 175.080 174.700 -0.017 0.000 1.061 273 T CA -1.122 61.105 62.100 0.213 0.000 1.000 273 T CB 1.618 70.516 68.868 0.049 0.000 1.103 273 T HN 0.169 nan 8.240 nan 0.000 0.486 274 L N 1.461 122.613 121.223 -0.117 0.000 2.379 274 L HA 0.574 4.900 4.340 -0.023 0.000 0.269 274 L C 0.346 177.122 176.870 -0.158 0.000 1.084 274 L CA -0.861 53.819 54.840 -0.266 0.000 0.802 274 L CB 1.528 43.283 42.059 -0.507 0.000 1.175 274 L HN 0.755 nan 8.230 nan 0.000 0.448 275 T N 3.199 117.647 114.554 -0.176 0.000 2.770 275 T HA 0.500 4.836 4.350 -0.023 0.000 0.283 275 T C -0.188 174.413 174.700 -0.165 0.000 0.988 275 T CA -0.452 61.575 62.100 -0.121 0.000 0.957 275 T CB 0.685 69.553 68.868 0.000 0.000 0.930 275 T HN 0.252 nan 8.240 nan 0.000 0.443 276 L N 2.609 123.766 121.223 -0.110 0.000 2.276 276 L HA 0.328 4.654 4.340 -0.023 0.000 0.286 276 L C 0.941 177.770 176.870 -0.069 0.000 1.061 276 L CA -0.630 54.146 54.840 -0.106 0.000 0.807 276 L CB 1.076 43.087 42.059 -0.081 0.000 1.177 276 L HN 0.774 nan 8.230 nan 0.000 0.429 277 S N 2.393 118.041 115.700 -0.088 0.000 3.419 277 S HA -0.250 4.206 4.470 -0.023 0.000 0.350 277 S C 1.330 175.910 174.600 -0.034 0.000 1.128 277 S CA 0.895 59.056 58.200 -0.063 0.000 0.999 277 S CB -1.279 61.897 63.200 -0.040 0.000 0.923 277 S HN 1.299 nan 8.310 nan 0.000 0.522 278 G N 0.762 109.534 108.800 -0.046 0.000 2.180 278 G HA2 -0.374 3.572 3.960 -0.023 0.000 0.263 278 G HA3 -0.374 3.572 3.960 -0.023 0.000 0.263 278 G C 0.369 175.345 174.900 0.127 0.000 0.989 278 G CA 1.484 46.624 45.100 0.067 0.000 0.692 278 G HN 0.988 nan 8.290 nan 0.000 0.526 279 E N -2.136 118.100 120.200 0.060 0.000 2.535 279 E HA 0.400 4.736 4.350 -0.023 0.000 0.216 279 E C 1.004 177.621 176.600 0.028 0.000 0.845 279 E CA -0.293 56.139 56.400 0.053 0.000 1.306 279 E CB 0.375 30.098 29.700 0.040 0.000 1.291 279 E HN 0.439 nan 8.360 nan 0.000 0.635 280 M N 2.308 121.913 119.600 0.008 0.000 2.022 280 M HA 0.569 5.035 4.480 -0.023 0.000 0.298 280 M C -1.563 174.704 176.300 -0.055 0.000 0.909 280 M CA -0.574 54.727 55.300 0.001 0.000 0.914 280 M CB 1.643 34.273 32.600 0.050 0.000 1.486 280 M HN 0.164 nan 8.290 nan 0.000 0.415 281 A N 4.700 127.409 122.820 -0.184 0.000 2.309 281 A HA 0.624 4.930 4.320 -0.023 0.000 0.290 281 A C -0.457 177.016 177.584 -0.185 0.000 1.206 281 A CA -0.541 51.285 52.037 -0.351 0.000 0.850 281 A CB 0.239 18.673 19.000 -0.943 0.000 1.118 281 A HN 0.805 nan 8.150 nan 0.000 0.523 282 V N 0.625 120.535 119.914 -0.006 0.000 2.769 282 V HA 0.689 4.795 4.120 -0.023 0.000 0.312 282 V C -0.474 175.803 176.094 0.306 0.000 1.061 282 V CA -1.291 61.115 62.300 0.177 0.000 0.931 282 V CB 1.698 33.654 31.823 0.220 0.000 1.010 282 V HN 0.753 nan 8.190 nan 0.000 0.433 283 K N 2.634 123.211 120.400 0.295 0.000 2.090 283 K HA 0.486 4.792 4.320 -0.023 0.000 0.250 283 K C 1.012 177.651 176.600 0.064 0.000 1.004 283 K CA -0.615 55.808 56.287 0.226 0.000 0.919 283 K CB 1.293 33.871 32.500 0.130 0.000 1.045 283 K HN 0.706 nan 8.250 nan 0.000 0.471 284 R N 1.072 121.273 120.500 -0.497 0.000 2.134 284 R HA -0.238 4.088 4.340 -0.023 0.000 0.248 284 R C 2.045 178.220 176.300 -0.209 0.000 1.143 284 R CA 2.069 57.699 56.100 -0.784 0.000 0.957 284 R CB -0.056 29.759 30.300 -0.808 0.000 0.867 284 R HN 0.699 nan 8.270 nan 0.000 0.441 285 E N 0.246 120.392 120.200 -0.089 0.000 2.072 285 E HA -0.192 4.144 4.350 -0.023 0.000 0.190 285 E C 1.997 178.648 176.600 0.084 0.000 0.982 285 E CA 0.986 57.386 56.400 -0.001 0.000 0.803 285 E CB 0.167 29.871 29.700 0.006 0.000 0.755 285 E HN 0.428 nan 8.360 nan 0.000 0.453 286 Q N 0.263 120.145 119.800 0.136 0.000 2.061 286 Q HA -0.208 4.118 4.340 -0.023 0.000 0.204 286 Q C 2.334 178.572 176.000 0.397 0.000 0.984 286 Q CA 1.305 57.254 55.803 0.243 0.000 0.846 286 Q CB -0.206 28.696 28.738 0.274 0.000 0.902 286 Q HN 0.224 nan 8.270 nan 0.000 0.421 287 L N 1.470 122.868 121.223 0.292 0.000 2.056 287 L HA -0.176 4.150 4.340 -0.023 0.000 0.207 287 L C 2.350 179.293 176.870 0.122 0.000 1.078 287 L CA 1.882 56.777 54.840 0.092 0.000 0.749 287 L CB -0.481 41.592 42.059 0.022 0.000 0.901 287 L HN 0.106 nan 8.230 nan 0.000 0.433 288 K N -0.978 119.495 120.400 0.122 0.000 2.057 288 K HA -0.187 4.119 4.320 -0.023 0.000 0.207 288 K C 1.586 178.272 176.600 0.142 0.000 1.049 288 K CA 1.731 58.081 56.287 0.105 0.000 0.931 288 K CB -0.171 32.362 32.500 0.055 0.000 0.714 288 K HN 0.348 nan 8.250 nan 0.000 0.440 289 N N 0.197 118.996 118.700 0.165 0.000 2.457 289 N HA -0.029 4.697 4.740 -0.023 0.000 0.180 289 N C 1.385 177.022 175.510 0.211 0.000 1.050 289 N CA 1.053 54.193 53.050 0.151 0.000 0.906 289 N CB 0.183 38.736 38.487 0.111 0.000 0.968 289 N HN 0.407 nan 8.380 nan 0.000 0.445 290 G N -0.969 108.041 108.800 0.351 0.000 3.088 290 G HA2 0.357 4.303 3.960 -0.023 0.000 0.212 290 G HA3 0.357 4.303 3.960 -0.023 0.000 0.212 290 G C 0.959 176.167 174.900 0.514 0.000 1.173 290 G CA 0.501 45.894 45.100 0.489 0.000 0.779 290 G HN 0.428 nan 8.290 nan 0.000 0.540 291 G N -0.325 108.696 108.800 0.368 0.000 2.905 291 G HA2 -0.227 3.719 3.960 -0.023 0.000 0.196 291 G HA3 -0.227 3.719 3.960 -0.023 0.000 0.196 291 G C 1.208 176.273 174.900 0.274 0.000 1.044 291 G CA 0.114 45.445 45.100 0.384 0.000 0.778 291 G HN 0.218 nan 8.290 nan 0.000 0.474 292 L N 1.551 122.904 121.223 0.215 0.000 2.240 292 L HA 0.320 4.646 4.340 -0.023 0.000 0.211 292 L C 2.353 179.299 176.870 0.126 0.000 1.106 292 L CA 1.264 56.202 54.840 0.163 0.000 0.793 292 L CB -0.794 41.319 42.059 0.090 0.000 0.927 292 L HN 0.895 nan 8.230 nan 0.000 0.446 293 G N 0.867 109.736 108.800 0.115 0.000 2.611 293 G HA2 -0.420 3.526 3.960 -0.023 0.000 0.301 293 G HA3 -0.420 3.526 3.960 -0.023 0.000 0.301 293 G C 0.863 175.804 174.900 0.068 0.000 1.233 293 G CA 1.141 46.292 45.100 0.085 0.000 0.993 293 G HN 0.251 nan 8.290 nan 0.000 0.553 294 V N -0.790 119.158 119.914 0.056 0.000 3.078 294 V HA 0.058 4.164 4.120 -0.023 0.000 0.265 294 V C 2.768 178.889 176.094 0.045 0.000 1.122 294 V CA 2.285 64.611 62.300 0.042 0.000 1.141 294 V CB -0.604 31.238 31.823 0.032 0.000 0.735 294 V HN 0.923 nan 8.190 nan 0.000 0.498 295 V N 0.807 120.755 119.914 0.056 0.000 2.343 295 V HA -0.231 3.875 4.120 -0.023 0.000 0.247 295 V C 2.907 179.029 176.094 0.047 0.000 1.051 295 V CA 2.381 64.711 62.300 0.049 0.000 1.036 295 V CB -0.785 31.082 31.823 0.074 0.000 0.654 295 V HN 0.719 nan 8.190 nan 0.000 0.451 296 S N 0.272 116.014 115.700 0.071 0.000 2.353 296 S HA -0.270 4.186 4.470 -0.023 0.000 0.222 296 S C 1.782 176.504 174.600 0.203 0.000 1.035 296 S CA 2.057 60.337 58.200 0.132 0.000 1.025 296 S CB -0.533 62.742 63.200 0.125 0.000 0.902 296 S HN 0.670 nan 8.310 nan 0.000 0.440 297 D N 1.574 122.037 120.400 0.104 0.000 2.149 297 D HA -0.067 4.559 4.640 -0.023 0.000 0.198 297 D C 2.190 178.536 176.300 0.077 0.000 0.990 297 D CA 1.326 55.371 54.000 0.074 0.000 0.839 297 D CB -0.702 40.110 40.800 0.019 0.000 0.948 297 D HN 0.551 nan 8.370 nan 0.000 0.460 298 A N 0.495 123.342 122.820 0.046 0.000 1.898 298 A HA -0.099 4.207 4.320 -0.023 0.000 0.216 298 A C 2.348 179.918 177.584 -0.024 0.000 1.181 298 A CA 0.830 52.870 52.037 0.004 0.000 0.620 298 A CB -0.551 18.444 19.000 -0.008 0.000 0.819 298 A HN 0.182 nan 8.150 nan 0.000 0.442 299 I N -2.164 118.396 120.570 -0.015 0.000 2.333 299 I HA -0.137 4.019 4.170 -0.023 0.000 0.246 299 I C 2.179 178.197 176.117 -0.165 0.000 1.106 299 I CA 0.853 62.091 61.300 -0.104 0.000 1.411 299 I CB -0.387 37.530 38.000 -0.138 0.000 1.082 299 I HN 0.273 nan 8.210 nan 0.000 0.420 300 F N 1.363 121.245 119.950 -0.112 0.000 2.063 300 F HA -0.329 4.216 4.527 0.030 0.000 0.298 300 F C 2.702 178.346 175.800 -0.259 0.000 1.109 300 F CA 2.316 60.225 58.000 -0.152 0.000 1.212 300 F CB -0.506 38.459 39.000 -0.058 0.000 0.973 300 F HN 0.139 nan 8.300 nan 0.000 0.480 301 E N 0.447 120.648 120.200 0.001 0.000 2.038 301 E HA -0.281 4.055 4.350 -0.023 0.000 0.195 301 E C 2.244 178.751 176.600 -0.155 0.000 1.000 301 E CA 1.452 57.806 56.400 -0.077 0.000 0.803 301 E CB -0.405 29.273 29.700 -0.038 0.000 0.750 301 E HN 0.342 nan 8.360 nan 0.000 0.448 302 L N 0.889 122.013 121.223 -0.164 0.000 1.990 302 L HA -0.115 4.211 4.340 -0.023 0.000 0.213 302 L C 2.358 179.063 176.870 -0.275 0.000 1.072 302 L CA 2.684 57.393 54.840 -0.218 0.000 0.755 302 L CB -1.038 40.899 42.059 -0.204 0.000 0.889 302 L HN 0.257 nan 8.230 nan 0.000 0.432 303 G N -0.971 107.641 108.800 -0.313 0.000 2.440 303 G HA2 -0.357 3.589 3.960 -0.023 0.000 0.218 303 G HA3 -0.357 3.589 3.960 -0.023 0.000 0.218 303 G C 1.711 176.330 174.900 -0.469 0.000 1.154 303 G CA 0.968 45.858 45.100 -0.350 0.000 0.767 303 G HN 0.474 nan 8.290 nan 0.000 0.552 304 K N 0.845 120.799 120.400 -0.743 0.000 2.026 304 K HA -0.144 4.162 4.320 -0.023 0.000 0.208 304 K C 2.856 179.354 176.600 -0.171 0.000 1.048 304 K CA 1.863 57.807 56.287 -0.571 0.000 0.929 304 K CB -0.257 31.959 32.500 -0.474 0.000 0.713 304 K HN 0.432 nan 8.250 nan 0.000 0.439 305 S N 0.465 116.069 115.700 -0.161 0.000 2.423 305 S HA -0.080 4.376 4.470 -0.023 0.000 0.231 305 S C 1.901 176.453 174.600 -0.079 0.000 1.014 305 S CA 0.748 58.907 58.200 -0.068 0.000 0.965 305 S CB -0.354 62.788 63.200 -0.096 0.000 0.785 305 S HN 0.325 nan 8.310 nan 0.000 0.495 306 L N 1.469 122.564 121.223 -0.214 0.000 2.395 306 L HA 0.056 4.382 4.340 -0.023 0.000 0.218 306 L C 2.556 179.501 176.870 0.124 0.000 1.130 306 L CA 0.605 55.307 54.840 -0.229 0.000 0.826 306 L CB -0.542 41.346 42.059 -0.286 0.000 0.941 306 L HN 0.323 nan 8.230 nan 0.000 0.451 307 S N 0.542 116.336 115.700 0.156 0.000 2.383 307 S HA -0.198 4.258 4.470 -0.023 0.000 0.229 307 S C 2.237 176.996 174.600 0.265 0.000 1.030 307 S CA 1.250 59.584 58.200 0.223 0.000 1.002 307 S CB -0.268 63.075 63.200 0.237 0.000 0.829 307 S HN 0.526 nan 8.310 nan 0.000 0.467 308 A N 0.496 123.500 122.820 0.307 0.000 2.070 308 A HA 0.036 4.342 4.320 -0.023 0.000 0.220 308 A C 1.750 179.548 177.584 0.356 0.000 1.159 308 A CA 0.994 53.208 52.037 0.295 0.000 0.656 308 A CB -0.774 18.372 19.000 0.243 0.000 0.800 308 A HN 0.547 nan 8.150 nan 0.000 0.453 309 F N -0.704 119.357 119.950 0.186 0.000 2.416 309 F HA 0.006 4.520 4.527 -0.023 0.000 0.296 309 F C 0.649 176.655 175.800 0.344 0.000 1.099 309 F CA 0.488 58.678 58.000 0.315 0.000 1.427 309 F CB 0.013 39.129 39.000 0.193 0.000 1.079 309 F HN 0.207 nan 8.300 nan 0.000 0.536 310 N N 1.423 120.389 118.700 0.444 0.000 2.738 310 N HA -0.185 4.541 4.740 -0.023 0.000 0.249 310 N C -0.755 174.994 175.510 0.398 0.000 1.047 310 N CA 0.409 53.668 53.050 0.348 0.000 0.707 310 N CB -1.817 36.845 38.487 0.291 0.000 0.937 310 N HN 0.242 nan 8.380 nan 0.000 0.545 311 L N 0.687 122.140 121.223 0.383 0.000 2.455 311 L HA 0.072 4.398 4.340 -0.023 0.000 0.272 311 L C 1.336 178.381 176.870 0.293 0.000 1.174 311 L CA -0.209 54.861 54.840 0.382 0.000 0.869 311 L CB 0.297 42.535 42.059 0.297 0.000 1.130 311 L HN 0.225 nan 8.230 nan 0.000 0.474 312 D N 1.025 121.620 120.400 0.324 0.000 2.478 312 D HA 0.034 4.660 4.640 -0.023 0.000 0.269 312 D C 0.451 176.877 176.300 0.210 0.000 1.232 312 D CA -0.530 53.626 54.000 0.260 0.000 1.059 312 D CB 0.601 41.576 40.800 0.292 0.000 1.104 312 D HN 0.345 nan 8.370 nan 0.000 0.566 313 D N -0.832 119.680 120.400 0.186 0.000 2.117 313 D HA -0.118 4.508 4.640 -0.023 0.000 0.197 313 D C 1.924 178.298 176.300 0.123 0.000 0.987 313 D CA 1.811 55.926 54.000 0.193 0.000 0.829 313 D CB -0.599 40.307 40.800 0.178 0.000 0.961 313 D HN 0.504 nan 8.370 nan 0.000 0.460 314 T N 1.262 115.848 114.554 0.053 0.000 2.652 314 T HA -0.158 4.178 4.350 -0.023 0.000 0.267 314 T C 1.774 176.351 174.700 -0.205 0.000 1.039 314 T CA 1.390 63.401 62.100 -0.148 0.000 1.153 314 T CB -0.351 68.206 68.868 -0.519 0.000 0.863 314 T HN 0.337 nan 8.240 nan 0.000 0.428 315 E N 0.634 120.847 120.200 0.022 0.000 2.160 315 E HA -0.090 4.246 4.350 -0.023 0.000 0.195 315 E C 2.310 178.813 176.600 -0.162 0.000 0.991 315 E CA 0.873 57.310 56.400 0.062 0.000 0.810 315 E CB -0.336 29.683 29.700 0.532 0.000 0.742 315 E HN 0.277 nan 8.360 nan 0.000 0.466 316 V N 1.429 121.246 119.914 -0.160 0.000 2.283 316 V HA -0.230 3.876 4.120 -0.023 0.000 0.243 316 V C 2.396 178.135 176.094 -0.591 0.000 1.039 316 V CA 1.724 63.813 62.300 -0.351 0.000 1.016 316 V CB -0.786 30.810 31.823 -0.378 0.000 0.650 316 V HN 0.334 nan 8.190 nan 0.000 0.449 317 A N -0.190 122.279 122.820 -0.585 0.000 1.917 317 A HA -0.209 4.097 4.320 -0.023 0.000 0.219 317 A C 2.223 179.615 177.584 -0.321 0.000 1.182 317 A CA 2.082 53.857 52.037 -0.436 0.000 0.633 317 A CB -0.570 18.395 19.000 -0.058 0.000 0.819 317 A HN 0.515 nan 8.150 nan 0.000 0.448 318 L N -1.425 119.528 121.223 -0.450 0.000 2.131 318 L HA -0.070 4.256 4.340 -0.023 0.000 0.206 318 L C 2.444 178.945 176.870 -0.615 0.000 1.087 318 L CA 0.253 54.744 54.840 -0.581 0.000 0.767 318 L CB -0.418 41.114 42.059 -0.878 0.000 0.917 318 L HN 0.315 nan 8.230 nan 0.000 0.441 319 L N 0.257 121.106 121.223 -0.623 0.000 1.971 319 L HA -0.284 4.042 4.340 -0.023 0.000 0.215 319 L C 2.646 179.395 176.870 -0.201 0.000 1.072 319 L CA 1.952 56.680 54.840 -0.187 0.000 0.758 319 L CB -1.005 40.997 42.059 -0.096 0.000 0.889 319 L HN 0.331 nan 8.230 nan 0.000 0.433 320 Q N -1.092 118.502 119.800 -0.344 0.000 2.112 320 Q HA -0.241 4.085 4.340 -0.023 0.000 0.206 320 Q C 2.145 178.061 176.000 -0.138 0.000 0.987 320 Q CA 1.920 57.503 55.803 -0.366 0.000 0.858 320 Q CB -0.472 27.741 28.738 -0.874 0.000 0.905 320 Q HN 0.637 nan 8.270 nan 0.000 0.420 321 A N 0.445 123.190 122.820 -0.124 0.000 1.930 321 A HA -0.105 4.201 4.320 -0.023 0.000 0.217 321 A C 2.348 179.767 177.584 -0.275 0.000 1.175 321 A CA 1.210 53.072 52.037 -0.292 0.000 0.627 321 A CB -0.517 17.962 19.000 -0.868 0.000 0.815 321 A HN 0.214 nan 8.150 nan 0.000 0.443 322 V N 0.039 119.868 119.914 -0.142 0.000 2.453 322 V HA -0.204 3.902 4.120 -0.023 0.000 0.247 322 V C 2.524 178.625 176.094 0.012 0.000 1.048 322 V CA 1.693 64.007 62.300 0.022 0.000 1.049 322 V CB -0.657 31.264 31.823 0.164 0.000 0.672 322 V HN 0.560 nan 8.190 nan 0.000 0.457 323 L N -0.927 120.282 121.223 -0.024 0.000 2.017 323 L HA -0.190 4.136 4.340 -0.023 0.000 0.208 323 L C 2.453 179.321 176.870 -0.003 0.000 1.073 323 L CA 1.251 56.076 54.840 -0.024 0.000 0.745 323 L CB -0.643 41.379 42.059 -0.062 0.000 0.894 323 L HN 0.318 nan 8.230 nan 0.000 0.432 324 L N -0.187 121.036 121.223 -0.000 0.000 1.956 324 L HA -0.208 4.118 4.340 -0.023 0.000 0.216 324 L C 1.818 178.729 176.870 0.068 0.000 1.073 324 L CA 1.872 56.732 54.840 0.034 0.000 0.762 324 L CB -0.378 41.696 42.059 0.026 0.000 0.889 324 L HN 0.193 nan 8.230 nan 0.000 0.433 325 M N 0.370 120.004 119.600 0.057 0.000 3.700 325 M HA 0.142 4.608 4.480 -0.023 0.000 0.190 325 M C 0.390 176.740 176.300 0.083 0.000 1.422 325 M CA 0.307 55.666 55.300 0.099 0.000 1.646 325 M CB -1.793 30.892 32.600 0.142 0.000 1.154 325 M HN 0.364 nan 8.290 nan 0.000 0.506 326 S N -0.657 115.081 115.700 0.064 0.000 2.475 326 S HA 0.372 4.828 4.470 -0.023 0.000 0.298 326 S C 0.931 175.555 174.600 0.041 0.000 1.119 326 S CA -0.384 57.845 58.200 0.048 0.000 1.085 326 S CB 1.570 64.790 63.200 0.033 0.000 1.028 326 S HN 0.415 nan 8.310 nan 0.000 0.489 327 T N 2.171 116.746 114.554 0.035 0.000 3.100 327 T HA 0.056 4.392 4.350 -0.023 0.000 0.253 327 T C 0.118 174.829 174.700 0.018 0.000 1.118 327 T CA 0.488 62.604 62.100 0.026 0.000 1.058 327 T CB -0.457 68.426 68.868 0.025 0.000 0.953 327 T HN 0.841 nan 8.240 nan 0.000 0.515 328 D N 1.465 121.875 120.400 0.016 0.000 2.934 328 D HA 0.172 4.798 4.640 -0.023 0.000 0.237 328 D C 0.221 176.528 176.300 0.011 0.000 1.158 328 D CA -0.197 53.810 54.000 0.011 0.000 0.971 328 D CB -0.198 40.606 40.800 0.007 0.000 1.123 328 D HN 0.123 nan 8.370 nan 0.000 0.467 329 R N -0.516 119.990 120.500 0.011 0.000 2.837 329 R HA 0.554 4.880 4.340 -0.023 0.000 0.271 329 R C -0.607 175.696 176.300 0.005 0.000 0.993 329 R CA -0.902 55.204 56.100 0.009 0.000 0.931 329 R CB 1.712 32.019 30.300 0.012 0.000 1.206 329 R HN 0.049 nan 8.270 nan 0.000 0.474 330 S N -0.143 115.558 115.700 0.002 0.000 2.565 330 S HA 0.462 4.918 4.470 -0.023 0.000 0.274 330 S C 0.751 175.349 174.600 -0.004 0.000 1.309 330 S CA 0.926 59.126 58.200 -0.001 0.000 1.043 330 S CB 0.808 64.007 63.200 -0.002 0.000 0.939 330 S HN 0.843 nan 8.310 nan 0.000 0.504 331 G N 2.957 111.754 108.800 -0.005 0.000 2.131 331 G HA2 -0.182 3.764 3.960 -0.023 0.000 0.223 331 G HA3 -0.182 3.764 3.960 -0.023 0.000 0.223 331 G C -0.159 174.734 174.900 -0.011 0.000 0.990 331 G CA -0.018 45.077 45.100 -0.009 0.000 0.671 331 G HN 0.646 nan 8.290 nan 0.000 0.521 332 L N 0.333 121.551 121.223 -0.009 0.000 2.349 332 L HA 0.592 4.918 4.340 -0.023 0.000 0.275 332 L C 1.333 178.195 176.870 -0.015 0.000 1.115 332 L CA -0.838 53.995 54.840 -0.012 0.000 0.820 332 L CB 0.920 42.975 42.059 -0.007 0.000 1.135 332 L HN 0.116 nan 8.230 nan 0.000 0.445 336 D N 1.008 121.411 120.400 0.005 0.000 2.123 336 D HA -0.119 4.507 4.640 -0.023 0.000 0.200 336 D C 1.834 178.141 176.300 0.011 0.000 0.976 336 D CA 1.581 55.586 54.000 0.008 0.000 0.831 336 D CB 0.122 40.924 40.800 0.004 0.000 0.974 336 D HN 0.396 nan 8.370 nan 0.000 0.469 337 K N 0.615 121.019 120.400 0.006 0.000 2.063 337 K HA -0.108 4.198 4.320 -0.023 0.000 0.208 337 K C 2.287 178.901 176.600 0.024 0.000 1.048 337 K CA 0.709 57.000 56.287 0.008 0.000 0.928 337 K CB -0.087 32.410 32.500 -0.004 0.000 0.713 337 K HN 0.084 nan 8.250 nan 0.000 0.442 338 I N 0.675 121.261 120.570 0.027 0.000 2.142 338 I HA -0.264 3.892 4.170 -0.023 0.000 0.240 338 I C 2.378 178.533 176.117 0.063 0.000 1.078 338 I CA 1.227 62.557 61.300 0.050 0.000 1.343 338 I CB -0.303 37.721 38.000 0.040 0.000 1.046 338 I HN 0.189 nan 8.210 nan 0.000 0.405 339 E N 1.255 121.483 120.200 0.047 0.000 2.058 339 E HA -0.251 4.085 4.350 -0.023 0.000 0.194 339 E C 2.029 178.661 176.600 0.054 0.000 0.997 339 E CA 1.484 57.913 56.400 0.049 0.000 0.801 339 E CB -0.077 29.643 29.700 0.033 0.000 0.746 339 E HN 0.056 nan 8.360 nan 0.000 0.450 340 K N -0.116 120.307 120.400 0.039 0.000 2.063 340 K HA -0.066 4.240 4.320 -0.023 0.000 0.208 340 K C 2.255 178.873 176.600 0.030 0.000 1.048 340 K CA 1.453 57.756 56.287 0.027 0.000 0.928 340 K CB -0.812 31.696 32.500 0.014 0.000 0.713 340 K HN 0.127 nan 8.250 nan 0.000 0.442 341 S N -0.288 115.445 115.700 0.055 0.000 2.357 341 S HA -0.139 4.317 4.470 -0.023 0.000 0.221 341 S C 2.038 176.754 174.600 0.194 0.000 1.031 341 S CA 1.126 59.377 58.200 0.085 0.000 0.982 341 S CB -0.261 63.011 63.200 0.121 0.000 0.853 341 S HN 0.424 nan 8.310 nan 0.000 0.458 342 Q N 0.507 120.425 119.800 0.197 0.000 2.045 342 Q HA -0.210 4.116 4.340 -0.023 0.000 0.206 342 Q C 2.085 178.199 176.000 0.190 0.000 0.991 342 Q CA 2.082 58.018 55.803 0.221 0.000 0.851 342 Q CB -0.289 28.537 28.738 0.146 0.000 0.911 342 Q HN 0.712 nan 8.270 nan 0.000 0.418 343 E N -0.236 120.034 120.200 0.115 0.000 2.097 343 E HA -0.255 4.081 4.350 -0.023 0.000 0.196 343 E C 1.856 178.489 176.600 0.055 0.000 1.000 343 E CA 1.139 57.589 56.400 0.082 0.000 0.804 343 E CB -0.189 29.540 29.700 0.047 0.000 0.740 343 E HN 0.468 nan 8.360 nan 0.000 0.454 344 A N 0.313 123.138 122.820 0.009 0.000 1.933 344 A HA -0.181 4.125 4.320 -0.023 0.000 0.218 344 A C 1.861 179.380 177.584 -0.107 0.000 1.175 344 A CA 1.213 53.195 52.037 -0.092 0.000 0.628 344 A CB -0.731 18.158 19.000 -0.184 0.000 0.814 344 A HN 0.301 nan 8.150 nan 0.000 0.444 345 Y N -0.505 119.820 120.300 0.041 0.000 2.200 345 Y HA -0.083 4.454 4.550 -0.022 0.000 0.290 345 Y C 2.261 178.256 175.900 0.157 0.000 1.137 345 Y CA 1.197 59.337 58.100 0.067 0.000 1.163 345 Y CB -0.185 38.319 38.460 0.072 0.000 0.988 345 Y HN 0.192 nan 8.280 nan 0.000 0.518 346 L N -0.592 120.833 121.223 0.336 0.000 2.017 346 L HA -0.273 4.053 4.340 -0.023 0.000 0.208 346 L C 2.298 179.279 176.870 0.185 0.000 1.073 346 L CA 1.187 56.253 54.840 0.376 0.000 0.745 346 L CB -0.476 41.757 42.059 0.290 0.000 0.894 346 L HN 0.315 nan 8.230 nan 0.000 0.432 347 L N -1.002 120.213 121.223 -0.014 0.000 2.027 347 L HA -0.217 4.109 4.340 -0.023 0.000 0.206 347 L C 2.793 179.395 176.870 -0.446 0.000 1.074 347 L CA 1.287 55.941 54.840 -0.308 0.000 0.745 347 L CB -0.535 41.375 42.059 -0.250 0.000 0.898 347 L HN 0.283 nan 8.230 nan 0.000 0.433 348 A N -0.176 122.544 122.820 -0.166 0.000 1.883 348 A HA -0.293 4.013 4.320 -0.023 0.000 0.217 348 A C 2.156 179.755 177.584 0.025 0.000 1.186 348 A CA 1.542 53.517 52.037 -0.104 0.000 0.624 348 A CB -0.928 18.017 19.000 -0.093 0.000 0.822 348 A HN 0.393 nan 8.150 nan 0.000 0.444 349 F N 1.019 120.952 119.950 -0.029 0.000 2.043 349 F HA -0.257 4.255 4.527 -0.024 0.000 0.297 349 F C 2.284 178.005 175.800 -0.131 0.000 1.118 349 F CA 2.143 60.197 58.000 0.090 0.000 1.202 349 F CB -1.061 38.133 39.000 0.323 0.000 0.965 349 F HN 0.569 nan 8.300 nan 0.000 0.482 350 E N -0.923 118.931 120.200 -0.576 0.000 2.058 350 E HA -0.272 4.064 4.350 -0.023 0.000 0.194 350 E C 2.207 178.525 176.600 -0.470 0.000 0.997 350 E CA 1.931 57.540 56.400 -1.318 0.000 0.801 350 E CB -0.564 28.215 29.700 -1.534 0.000 0.746 350 E HN 0.693 nan 8.360 nan 0.000 0.450 351 H N -1.864 117.032 119.070 -0.290 0.000 2.421 351 H HA -0.136 4.406 4.556 -0.023 0.000 0.298 351 H C 1.853 177.120 175.328 -0.101 0.000 1.087 351 H CA 1.026 56.961 56.048 -0.188 0.000 1.330 351 H CB -0.061 29.580 29.762 -0.201 0.000 1.388 351 H HN 0.280 nan 8.280 nan 0.000 0.526 352 Y N 1.167 121.442 120.300 -0.041 0.000 2.200 352 Y HA -0.217 4.318 4.550 -0.024 0.000 0.290 352 Y C 2.340 178.346 175.900 0.177 0.000 1.137 352 Y CA 0.908 59.010 58.100 0.003 0.000 1.163 352 Y CB -0.394 38.082 38.460 0.025 0.000 0.988 352 Y HN -0.074 nan 8.280 nan 0.000 0.518 353 V N 0.935 120.995 119.914 0.243 0.000 2.332 353 V HA -0.351 3.755 4.120 -0.023 0.000 0.248 353 V C 2.152 178.277 176.094 0.053 0.000 1.055 353 V CA 2.096 64.532 62.300 0.226 0.000 1.038 353 V CB -0.770 31.306 31.823 0.422 0.000 0.651 353 V HN 0.455 nan 8.190 nan 0.000 0.450 354 N N 0.026 118.731 118.700 0.009 0.000 2.036 354 N HA -0.243 4.483 4.740 -0.023 0.000 0.195 354 N C 1.851 177.337 175.510 -0.039 0.000 1.037 354 N CA 2.165 55.205 53.050 -0.016 0.000 0.855 354 N CB -0.717 37.761 38.487 -0.016 0.000 1.033 354 N HN 0.725 nan 8.380 nan 0.000 0.423 355 H N 0.928 119.921 119.070 -0.128 0.000 2.426 355 H HA 0.027 4.568 4.556 -0.024 0.000 0.298 355 H C 1.872 177.066 175.328 -0.224 0.000 1.107 355 H CA 1.557 57.528 56.048 -0.129 0.000 1.298 355 H CB 0.244 29.964 29.762 -0.070 0.000 1.377 355 H HN 0.035 nan 8.280 nan 0.000 0.519 356 R N 0.651 120.973 120.500 -0.298 0.000 2.153 356 R HA -0.014 4.312 4.340 -0.023 0.000 0.218 356 R C 0.187 176.204 176.300 -0.471 0.000 1.072 356 R CA 0.814 56.656 56.100 -0.430 0.000 0.990 356 R CB 0.084 30.084 30.300 -0.502 0.000 0.889 356 R HN 0.356 nan 8.270 nan 0.000 0.452 357 K N 1.004 121.198 120.400 -0.343 0.000 3.619 357 K HA -0.174 4.132 4.320 -0.023 0.000 0.275 357 K C -0.871 175.550 176.600 -0.299 0.000 0.993 357 K CA 0.379 56.513 56.287 -0.255 0.000 0.787 357 K CB -1.674 30.698 32.500 -0.213 0.000 1.431 357 K HN 0.404 nan 8.250 nan 0.000 0.451 358 H N 0.542 119.412 119.070 -0.333 0.000 2.790 358 H HA 0.007 4.549 4.556 -0.023 0.000 0.358 358 H C 1.594 176.801 175.328 -0.202 0.000 1.103 358 H CA 0.728 56.551 56.048 -0.374 0.000 1.426 358 H CB 0.661 29.931 29.762 -0.820 0.000 1.424 358 H HN 0.503 nan 8.280 nan 0.000 0.599 359 N N 2.087 120.777 118.700 -0.016 0.000 2.512 359 N HA -0.095 4.631 4.740 -0.023 0.000 0.183 359 N C 0.417 175.924 175.510 -0.005 0.000 1.073 359 N CA 0.376 53.416 53.050 -0.016 0.000 0.911 359 N CB 0.008 38.487 38.487 -0.013 0.000 0.964 359 N HN 0.605 nan 8.380 nan 0.000 0.447 360 I N -0.252 120.332 120.570 0.023 0.000 2.474 360 I HA 0.359 4.515 4.170 -0.023 0.000 0.287 360 I C -2.345 173.755 176.117 -0.028 0.000 1.048 360 I CA -2.271 59.028 61.300 -0.002 0.000 1.383 360 I CB 0.802 38.782 38.000 -0.034 0.000 1.412 360 I HN -0.074 nan 8.210 nan 0.000 0.531 361 P HA 0.156 nan 4.420 nan 0.000 0.274 361 P C -0.862 176.245 177.300 -0.322 0.000 1.231 361 P CA 0.297 63.196 63.100 -0.335 0.000 0.790 361 P CB 0.284 31.661 31.700 -0.538 0.000 0.951 362 H N -0.619 118.495 119.070 0.073 0.000 2.820 362 H HA -0.191 4.351 4.556 -0.024 0.000 0.295 362 H C 0.789 176.161 175.328 0.073 0.000 1.187 362 H CA 0.529 56.619 56.048 0.070 0.000 1.144 362 H CB -2.529 27.245 29.762 0.021 0.000 1.354 362 H HN 0.456 nan 8.280 nan 0.000 0.395 363 F N -0.029 119.937 119.950 0.028 0.000 2.091 363 F HA -0.229 4.284 4.527 -0.023 0.000 0.299 363 F C 2.512 178.348 175.800 0.060 0.000 1.103 363 F CA 2.394 60.363 58.000 -0.051 0.000 1.228 363 F CB -0.189 38.761 39.000 -0.084 0.000 0.984 363 F HN 0.474 nan 8.300 nan 0.000 0.477 364 W N 2.972 124.313 121.300 0.069 0.000 2.353 364 W HA -0.166 4.481 4.660 -0.022 0.000 0.319 364 W C -0.795 175.647 176.519 -0.130 0.000 1.207 364 W CA 1.608 58.931 57.345 -0.036 0.000 1.291 364 W CB -1.797 27.675 29.460 0.021 0.000 1.159 364 W HN 0.011 nan 8.180 nan 0.000 0.478 365 P HA -0.198 nan 4.420 nan 0.000 0.216 365 P C 1.190 178.341 177.300 -0.248 0.000 1.150 365 P CA 2.177 65.111 63.100 -0.276 0.000 0.837 365 P CB -0.306 31.343 31.700 -0.086 0.000 0.786 366 K N -0.788 119.509 120.400 -0.172 0.000 2.032 366 K HA -0.148 4.158 4.320 -0.023 0.000 0.209 366 K C 2.166 178.686 176.600 -0.133 0.000 1.048 366 K CA 1.019 57.235 56.287 -0.119 0.000 0.927 366 K CB -0.849 31.584 32.500 -0.112 0.000 0.712 366 K HN 0.035 nan 8.250 nan 0.000 0.441 367 L N 1.413 122.458 121.223 -0.297 0.000 2.017 367 L HA -0.127 4.199 4.340 -0.023 0.000 0.208 367 L C 1.880 178.490 176.870 -0.434 0.000 1.073 367 L CA 1.553 56.183 54.840 -0.350 0.000 0.745 367 L CB -0.504 41.279 42.059 -0.460 0.000 0.894 367 L HN 0.177 nan 8.230 nan 0.000 0.432 368 L N -1.671 119.177 121.223 -0.625 0.000 2.131 368 L HA -0.234 4.092 4.340 -0.023 0.000 0.210 368 L C 2.492 179.161 176.870 -0.335 0.000 1.092 368 L CA 1.184 55.679 54.840 -0.575 0.000 0.759 368 L CB -0.345 41.278 42.059 -0.727 0.000 0.903 368 L HN 0.324 nan 8.230 nan 0.000 0.435 369 M N -0.951 118.484 119.600 -0.275 0.000 2.175 369 M HA -0.155 4.311 4.480 -0.023 0.000 0.264 369 M C 2.162 178.354 176.300 -0.180 0.000 1.063 369 M CA 1.311 56.498 55.300 -0.189 0.000 1.119 369 M CB -0.163 32.352 32.600 -0.142 0.000 1.377 369 M HN 0.029 nan 8.290 nan 0.000 0.415 370 K N 0.270 120.539 120.400 -0.219 0.000 2.103 370 K HA -0.083 4.223 4.320 -0.023 0.000 0.207 370 K C 1.959 178.443 176.600 -0.193 0.000 1.048 370 K CA 1.146 57.289 56.287 -0.240 0.000 0.930 370 K CB -1.161 31.131 32.500 -0.348 0.000 0.716 370 K HN 0.242 nan 8.250 nan 0.000 0.444 371 V N 1.620 121.424 119.914 -0.183 0.000 2.233 371 V HA -0.329 3.777 4.120 -0.023 0.000 0.252 371 V C 2.292 178.317 176.094 -0.115 0.000 1.063 371 V CA 2.577 64.796 62.300 -0.135 0.000 1.032 371 V CB -1.152 30.595 31.823 -0.128 0.000 0.645 371 V HN 0.372 nan 8.190 nan 0.000 0.446 372 T N -0.512 113.970 114.554 -0.120 0.000 2.720 372 T HA -0.210 4.126 4.350 -0.023 0.000 0.268 372 T C 1.618 176.267 174.700 -0.084 0.000 1.037 372 T CA 1.704 63.749 62.100 -0.092 0.000 1.144 372 T CB -0.473 68.339 68.868 -0.092 0.000 0.864 372 T HN 0.540 nan 8.240 nan 0.000 0.444 373 D N 1.290 121.629 120.400 -0.102 0.000 2.104 373 D HA -0.057 4.569 4.640 -0.023 0.000 0.194 373 D C 2.159 178.405 176.300 -0.089 0.000 0.994 373 D CA 0.855 54.797 54.000 -0.096 0.000 0.830 373 D CB -0.575 40.153 40.800 -0.120 0.000 0.959 373 D HN 0.305 nan 8.370 nan 0.000 0.452 374 L N 0.594 121.755 121.223 -0.103 0.000 2.042 374 L HA -0.176 4.150 4.340 -0.023 0.000 0.210 374 L C 2.643 179.474 176.870 -0.064 0.000 1.076 374 L CA 1.313 56.097 54.840 -0.093 0.000 0.749 374 L CB -0.267 41.727 42.059 -0.107 0.000 0.893 374 L HN -0.025 nan 8.230 nan 0.000 0.432 375 R N -0.705 119.761 120.500 -0.055 0.000 2.096 375 R HA -0.139 4.187 4.340 -0.023 0.000 0.235 375 R C 2.268 178.554 176.300 -0.022 0.000 1.127 375 R CA 1.384 57.464 56.100 -0.033 0.000 0.968 375 R CB -0.411 29.870 30.300 -0.032 0.000 0.861 375 R HN 0.404 nan 8.270 nan 0.000 0.440 376 M N 0.359 119.940 119.600 -0.031 0.000 2.099 376 M HA -0.145 4.321 4.480 -0.023 0.000 0.262 376 M C 2.349 178.642 176.300 -0.012 0.000 1.067 376 M CA 1.588 56.875 55.300 -0.022 0.000 1.124 376 M CB -0.257 32.325 32.600 -0.031 0.000 1.353 376 M HN 0.093 nan 8.290 nan 0.000 0.410 377 I N -0.035 120.521 120.570 -0.024 0.000 2.118 377 I HA -0.292 3.864 4.170 -0.023 0.000 0.241 377 I C 2.530 178.654 176.117 0.012 0.000 1.070 377 I CA 1.708 62.997 61.300 -0.017 0.000 1.327 377 I CB -0.953 37.015 38.000 -0.053 0.000 1.034 377 I HN 0.398 nan 8.210 nan 0.000 0.405 378 G N 0.420 109.222 108.800 0.005 0.000 2.529 378 G HA2 -0.221 3.725 3.960 -0.023 0.000 0.219 378 G HA3 -0.221 3.725 3.960 -0.023 0.000 0.219 378 G C 0.989 175.937 174.900 0.079 0.000 1.177 378 G CA 0.823 45.950 45.100 0.046 0.000 0.773 378 G HN 0.550 nan 8.290 nan 0.000 0.573 382 A N 0.790 123.539 122.820 -0.117 0.000 1.933 382 A HA -0.082 4.224 4.320 -0.023 0.000 0.218 382 A C 2.210 179.726 177.584 -0.113 0.000 1.175 382 A CA 2.057 54.034 52.037 -0.099 0.000 0.628 382 A CB -0.773 18.241 19.000 0.022 0.000 0.814 382 A HN 0.471 nan 8.150 nan 0.000 0.444 383 S N -0.500 115.122 115.700 -0.130 0.000 2.356 383 S HA -0.190 4.266 4.470 -0.023 0.000 0.223 383 S C 2.054 176.420 174.600 -0.391 0.000 1.032 383 S CA 1.543 59.599 58.200 -0.240 0.000 1.005 383 S CB -0.347 62.753 63.200 -0.167 0.000 0.867 383 S HN 0.712 nan 8.310 nan 0.000 0.449 384 R N 0.386 120.756 120.500 -0.216 0.000 2.092 384 R HA -0.032 4.294 4.340 -0.023 0.000 0.231 384 R C 2.046 178.279 176.300 -0.113 0.000 1.119 384 R CA 1.084 57.112 56.100 -0.121 0.000 0.970 384 R CB -0.483 29.815 30.300 -0.004 0.000 0.864 384 R HN 0.388 nan 8.270 nan 0.000 0.440 385 F N 0.899 120.637 119.950 -0.354 0.000 2.069 385 F HA -0.225 4.287 4.527 -0.025 0.000 0.298 385 F C 1.829 177.501 175.800 -0.214 0.000 1.113 385 F CA 1.492 59.301 58.000 -0.317 0.000 1.214 385 F CB -0.249 38.416 39.000 -0.559 0.000 0.978 385 F HN 0.002 nan 8.300 nan 0.000 0.474 386 L N -0.087 121.068 121.223 -0.115 0.000 2.043 386 L HA -0.250 4.076 4.340 -0.023 0.000 0.212 386 L C 1.177 177.961 176.870 -0.143 0.000 1.075 386 L CA 1.592 56.340 54.840 -0.155 0.000 0.752 386 L CB -1.344 40.626 42.059 -0.148 0.000 0.891 386 L HN 0.278 nan 8.230 nan 0.000 0.432 390 V N 1.958 121.799 119.914 -0.122 0.000 2.407 390 V HA -0.031 4.075 4.120 -0.023 0.000 0.245 390 V C 1.017 177.090 176.094 -0.035 0.000 1.041 390 V CA 1.400 63.666 62.300 -0.055 0.000 1.040 390 V CB 0.013 31.825 31.823 -0.018 0.000 0.671 390 V HN 0.205 nan 8.190 nan 0.000 0.455 394 T N 0.145 114.859 114.554 0.266 0.000 2.721 394 T HA -0.175 4.161 4.350 -0.023 0.000 0.268 394 T C 1.255 176.184 174.700 0.381 0.000 1.038 394 T CA 2.249 64.551 62.100 0.336 0.000 1.145 394 T CB -0.122 68.844 68.868 0.163 0.000 0.858 394 T HN 0.517 nan 8.240 nan 0.000 0.459 395 E N 0.357 120.696 120.200 0.231 0.000 2.338 395 E HA 0.082 4.418 4.350 -0.023 0.000 0.197 395 E C 1.856 178.552 176.600 0.160 0.000 1.007 395 E CA 0.385 56.886 56.400 0.168 0.000 0.849 395 E CB -0.181 29.582 29.700 0.105 0.000 0.774 395 E HN 0.466 nan 8.360 nan 0.000 0.506 396 L N -0.647 120.661 121.223 0.141 0.000 2.446 396 L HA 0.114 4.440 4.340 -0.023 0.000 0.219 396 L C -0.048 176.856 176.870 0.056 0.000 1.116 396 L CA -0.020 54.841 54.840 0.034 0.000 0.844 396 L CB 0.105 42.075 42.059 -0.148 0.000 0.970 396 L HN 0.047 nan 8.230 nan 0.000 0.457 397 F N 0.893 121.068 119.950 0.376 0.000 2.371 397 F HA 0.350 4.863 4.527 -0.024 0.000 0.363 397 F C -1.922 174.083 175.800 0.342 0.000 1.122 397 F CA -2.749 55.532 58.000 0.469 0.000 1.129 397 F CB 0.059 39.316 39.000 0.429 0.000 1.173 397 F HN -0.278 nan 8.300 nan 0.000 0.489 398 P HA -0.023 nan 4.420 nan 0.000 0.264 398 P C -1.922 175.587 177.300 0.348 0.000 1.183 398 P CA -0.680 62.606 63.100 0.310 0.000 0.763 398 P CB 0.349 32.182 31.700 0.223 0.000 0.807 399 P HA -0.218 nan 4.420 nan 0.000 0.216 399 P C 1.398 178.809 177.300 0.185 0.000 1.157 399 P CA 1.077 64.290 63.100 0.188 0.000 0.880 399 P CB -0.150 31.626 31.700 0.126 0.000 0.791 400 L N -2.030 119.299 121.223 0.176 0.000 2.093 400 L HA -0.096 4.230 4.340 -0.023 0.000 0.208 400 L C 2.236 179.235 176.870 0.216 0.000 1.085 400 L CA 1.563 56.489 54.840 0.143 0.000 0.755 400 L CB -1.486 40.636 42.059 0.106 0.000 0.904 400 L HN -0.162 nan 8.230 nan 0.000 0.435 401 F N -0.084 119.961 119.950 0.159 0.000 2.043 401 F HA -0.290 4.222 4.527 -0.025 0.000 0.297 401 F C 2.255 178.229 175.800 0.290 0.000 1.121 401 F CA 1.890 60.062 58.000 0.287 0.000 1.199 401 F CB -0.807 38.444 39.000 0.417 0.000 0.968 401 F HN 0.048 nan 8.300 nan 0.000 0.478 402 L N -0.021 121.391 121.223 0.315 0.000 1.971 402 L HA -0.296 4.030 4.340 -0.023 0.000 0.215 402 L C 2.589 179.464 176.870 0.007 0.000 1.072 402 L CA 2.161 57.105 54.840 0.173 0.000 0.758 402 L CB -0.872 41.300 42.059 0.188 0.000 0.889 402 L HN 0.237 nan 8.230 nan 0.000 0.433 403 E N -0.280 119.931 120.200 0.018 0.000 2.097 403 E HA -0.238 4.098 4.350 -0.023 0.000 0.196 403 E C 2.116 178.620 176.600 -0.161 0.000 1.000 403 E CA 1.928 58.302 56.400 -0.043 0.000 0.804 403 E CB 0.092 29.789 29.700 -0.006 0.000 0.740 403 E HN 0.312 nan 8.360 nan 0.000 0.454 404 V N -0.235 119.513 119.914 -0.277 0.000 2.379 404 V HA -0.185 3.921 4.120 -0.023 0.000 0.245 404 V C 1.729 177.378 176.094 -0.742 0.000 1.044 404 V CA 1.656 63.608 62.300 -0.580 0.000 1.036 404 V CB -0.395 30.911 31.823 -0.862 0.000 0.664 404 V HN 0.279 nan 8.190 nan 0.000 0.453 405 F N -0.211 119.429 119.950 -0.517 0.000 2.721 405 F HA 0.239 4.755 4.527 -0.020 0.000 0.301 405 F C 1.353 176.757 175.800 -0.661 0.000 1.096 405 F CA -0.171 57.297 58.000 -0.885 0.000 1.308 405 F CB 0.305 38.220 39.000 -1.809 0.000 1.086 405 F HN 0.211 nan 8.300 nan 0.000 0.587 406 E N 0.000 120.083 120.200 -0.196 0.000 2.725 406 E HA 0.000 4.336 4.350 -0.023 0.000 0.291 406 E CA 0.000 56.423 56.400 0.038 0.000 0.976 406 E CB 0.000 29.753 29.700 0.088 0.000 0.812 406 E HN 0.000 nan 8.360 nan 0.000 0.440