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 2bt7_1_A DATA FIRST_RESID 157 DATA SEQUENCE SHGLSFSPPL SVADGVVSLD MDPYFCSQRV SLTSYSAEAQ LMQFRWMARG DATA SEQUENCE TNGSSDTIDM TVNAHCHGRR TDYMMSSTGN LTVTSNVVLL TFDLSDITHI DATA SEQUENCE PSDLARLVPS AGFQAASFPV DVSFTRDSAT HAYQAYGVYS SSRVFTITFP DATA SEQUENCE TGGDGTANIR SLTVRTGIDT 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 157 S HA 0.000 nan 4.470 nan 0.000 0.327 157 S C 0.000 174.542 174.600 -0.096 0.000 1.055 157 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 157 S CB 0.000 63.207 63.200 0.012 0.000 0.593 158 H N 2.181 121.245 119.070 -0.011 0.000 2.671 158 H HA 0.414 4.963 4.556 -0.013 0.000 0.372 158 H C 1.136 176.453 175.328 -0.017 0.000 1.227 158 H CA 0.246 56.286 56.048 -0.014 0.000 1.426 158 H CB 0.775 30.526 29.762 -0.020 0.000 1.480 158 H HN 0.720 nan 8.280 nan 0.000 0.611 159 G N 0.315 109.172 108.800 0.094 0.000 2.945 159 G HA2 0.420 4.372 3.960 -0.013 0.000 0.156 159 G HA3 0.420 4.372 3.960 -0.013 0.000 0.156 159 G C -0.225 174.679 174.900 0.007 0.000 1.375 159 G CA -0.673 44.454 45.100 0.045 0.000 1.039 159 G HN 0.590 nan 8.290 nan 0.000 0.586 160 L N -1.433 119.780 121.223 -0.017 0.000 2.317 160 L HA 0.807 5.140 4.340 -0.013 0.000 0.281 160 L C -0.486 176.274 176.870 -0.183 0.000 1.024 160 L CA -0.660 54.091 54.840 -0.147 0.000 0.810 160 L CB 1.891 43.810 42.059 -0.233 0.000 1.240 160 L HN 0.400 nan 8.230 nan 0.000 0.427 161 S N 2.109 117.612 115.700 -0.329 0.000 2.532 161 S HA 0.798 5.261 4.470 -0.013 0.000 0.301 161 S C -1.105 173.201 174.600 -0.490 0.000 1.083 161 S CA -0.416 57.660 58.200 -0.207 0.000 1.025 161 S CB 1.038 64.181 63.200 -0.095 0.000 1.056 161 S HN 0.480 nan 8.310 nan 0.000 0.494 162 F N 2.027 121.983 119.950 0.011 0.000 2.449 162 F HA 0.449 4.968 4.527 -0.013 0.000 0.342 162 F C 0.656 176.460 175.800 0.008 0.000 1.127 162 F CA -0.528 57.478 58.000 0.009 0.000 0.975 162 F CB 1.944 40.950 39.000 0.010 0.000 1.146 162 F HN 0.411 nan 8.300 nan 0.000 0.444 163 S N 3.989 119.762 115.700 0.121 0.000 2.537 163 S HA 0.485 4.947 4.470 -0.013 0.000 0.275 163 S C -2.473 172.182 174.600 0.091 0.000 1.272 163 S CA -1.543 56.702 58.200 0.076 0.000 1.050 163 S CB 0.784 64.001 63.200 0.029 0.000 0.961 163 S HN 0.199 nan 8.310 nan 0.000 0.496 164 P HA 0.124 nan 4.420 nan 0.000 0.265 164 P C -1.871 175.459 177.300 0.049 0.000 1.193 164 P CA -0.820 62.313 63.100 0.056 0.000 0.765 164 P CB 0.026 31.749 31.700 0.038 0.000 0.823 165 P HA 0.096 nan 4.420 nan 0.000 0.255 165 P C -0.198 177.139 177.300 0.060 0.000 1.248 165 P CA 0.328 63.460 63.100 0.053 0.000 0.807 165 P CB 0.396 32.128 31.700 0.053 0.000 1.150 166 L N 0.744 122.020 121.223 0.087 0.000 2.380 166 L HA 0.307 4.639 4.340 -0.013 0.000 0.273 166 L C 0.863 177.790 176.870 0.095 0.000 1.138 166 L CA -0.015 54.887 54.840 0.104 0.000 0.832 166 L CB 0.526 42.719 42.059 0.224 0.000 1.124 166 L HN 0.058 nan 8.230 nan 0.000 0.454 167 S N 2.066 117.770 115.700 0.006 0.000 2.579 167 S HA 0.720 5.182 4.470 -0.013 0.000 0.272 167 S C -1.126 173.389 174.600 -0.143 0.000 1.141 167 S CA -0.840 57.355 58.200 -0.008 0.000 0.843 167 S CB 2.243 65.446 63.200 0.005 0.000 1.122 167 S HN 0.375 nan 8.310 nan 0.000 0.468 168 V N 0.572 120.425 119.914 -0.102 0.000 2.638 168 V HA 0.899 5.011 4.120 -0.013 0.000 0.306 168 V C -0.824 175.234 176.094 -0.060 0.000 1.052 168 V CA -0.039 62.169 62.300 -0.155 0.000 0.885 168 V CB 1.255 32.963 31.823 -0.191 0.000 0.999 168 V HN 1.728 nan 8.190 nan 0.000 0.424 169 A N 3.913 126.694 122.820 -0.064 0.000 2.429 169 A HA 0.711 5.023 4.320 -0.013 0.000 0.289 169 A C -0.268 177.296 177.584 -0.033 0.000 1.043 169 A CA -0.033 51.984 52.037 -0.033 0.000 0.722 169 A CB 0.920 19.904 19.000 -0.026 0.000 1.243 169 A HN 1.242 nan 8.150 nan 0.000 0.415 170 D N 1.779 122.168 120.400 -0.019 0.000 2.689 170 D HA -0.107 4.525 4.640 -0.013 0.000 0.237 170 D C 1.244 177.531 176.300 -0.022 0.000 1.148 170 D CA 2.787 56.778 54.000 -0.015 0.000 0.656 170 D CB -1.158 39.633 40.800 -0.015 0.000 1.050 170 D HN 2.118 nan 8.370 nan 0.000 0.426 171 G N -2.308 106.477 108.800 -0.024 0.000 2.245 171 G HA2 -0.343 3.609 3.960 -0.013 0.000 0.264 171 G HA3 -0.343 3.609 3.960 -0.013 0.000 0.264 171 G C 0.467 175.328 174.900 -0.064 0.000 0.985 171 G CA 0.210 45.292 45.100 -0.030 0.000 0.625 171 G HN 0.795 nan 8.290 nan 0.000 0.536 172 V N 1.669 121.537 119.914 -0.076 0.000 2.406 172 V HA 0.538 4.651 4.120 -0.013 0.000 0.272 172 V C 0.752 176.746 176.094 -0.166 0.000 1.043 172 V CA -0.667 61.574 62.300 -0.099 0.000 0.915 172 V CB 1.644 33.425 31.823 -0.070 0.000 0.988 172 V HN 0.263 nan 8.190 nan 0.000 0.466 173 V N 4.674 124.449 119.914 -0.231 0.000 2.439 173 V HA 0.497 4.609 4.120 -0.013 0.000 0.282 173 V C 0.337 176.301 176.094 -0.217 0.000 1.039 173 V CA 0.094 62.172 62.300 -0.370 0.000 0.913 173 V CB 1.542 32.997 31.823 -0.614 0.000 0.983 173 V HN 0.952 nan 8.190 nan 0.000 0.460 174 S N 3.908 119.500 115.700 -0.179 0.000 2.599 174 S HA 0.689 5.152 4.470 -0.013 0.000 0.294 174 S C -0.897 173.670 174.600 -0.054 0.000 1.094 174 S CA -0.558 57.587 58.200 -0.092 0.000 0.931 174 S CB 1.936 65.098 63.200 -0.064 0.000 1.093 174 S HN 0.607 nan 8.310 nan 0.000 0.488 175 L N 2.885 124.095 121.223 -0.022 0.000 2.255 175 L HA 0.442 4.774 4.340 -0.013 0.000 0.289 175 L C -0.986 175.891 176.870 0.013 0.000 1.046 175 L CA -0.229 54.616 54.840 0.008 0.000 0.816 175 L CB 0.335 42.407 42.059 0.021 0.000 1.197 175 L HN 0.453 nan 8.230 nan 0.000 0.427 176 D N 6.773 127.186 120.400 0.021 0.000 2.401 176 D HA 0.195 4.827 4.640 -0.013 0.000 0.254 176 D C -0.260 176.070 176.300 0.049 0.000 1.192 176 D CA 0.739 54.755 54.000 0.028 0.000 0.885 176 D CB 0.860 41.677 40.800 0.028 0.000 1.147 176 D HN 0.542 nan 8.370 nan 0.000 0.478 177 M N 1.644 121.274 119.600 0.050 0.000 2.243 177 M HA 0.102 4.574 4.480 -0.013 0.000 0.324 177 M C -0.206 176.149 176.300 0.093 0.000 1.031 177 M CA -1.006 54.341 55.300 0.078 0.000 0.949 177 M CB 1.987 34.619 32.600 0.053 0.000 1.615 177 M HN 0.054 nan 8.290 nan 0.000 0.430 178 D N 5.777 126.263 120.400 0.145 0.000 2.363 178 D HA 0.086 4.718 4.640 -0.013 0.000 0.263 178 D C -1.532 174.868 176.300 0.167 0.000 1.258 178 D CA -1.692 52.411 54.000 0.171 0.000 0.907 178 D CB 1.046 41.971 40.800 0.209 0.000 1.107 178 D HN 0.284 nan 8.370 nan 0.000 0.495 179 P HA -0.151 nan 4.420 nan 0.000 0.226 179 P C 0.819 178.076 177.300 -0.072 0.000 1.153 179 P CA 0.829 63.909 63.100 -0.033 0.000 0.777 179 P CB -0.018 31.598 31.700 -0.140 0.000 0.794 180 Y N -2.247 118.115 120.300 0.104 0.000 2.571 180 Y HA -0.027 4.515 4.550 -0.012 0.000 0.294 180 Y C 2.236 178.213 175.900 0.129 0.000 1.141 180 Y CA 0.825 58.955 58.100 0.050 0.000 1.308 180 Y CB -0.533 37.904 38.460 -0.037 0.000 1.002 180 Y HN -0.059 nan 8.280 nan 0.000 0.551 181 F N -0.763 119.271 119.950 0.139 0.000 2.577 181 F HA 0.244 4.764 4.527 -0.013 0.000 0.276 181 F C 0.717 176.593 175.800 0.126 0.000 1.032 181 F CA -0.564 57.502 58.000 0.110 0.000 1.297 181 F CB 0.266 39.303 39.000 0.061 0.000 1.061 181 F HN -0.037 nan 8.300 nan 0.000 0.680 182 C N -0.051 119.246 119.300 -0.005 0.000 3.291 182 C HA 0.883 5.335 4.460 -0.013 0.000 0.316 182 C C -0.454 174.507 174.990 -0.048 0.000 1.391 182 C CA -0.289 58.640 59.018 -0.148 0.000 1.394 182 C CB 1.117 28.736 27.740 -0.201 0.000 1.744 182 C HN 0.615 nan 8.230 nan 0.000 0.461 183 S N 0.155 115.806 115.700 -0.081 0.000 2.688 183 S HA 0.823 5.285 4.470 -0.013 0.000 0.275 183 S C -1.717 172.845 174.600 -0.063 0.000 1.175 183 S CA -0.579 57.583 58.200 -0.063 0.000 0.818 183 S CB 1.459 64.608 63.200 -0.085 0.000 1.157 183 S HN 1.564 nan 8.310 nan 0.000 0.482 184 Q N 0.032 119.801 119.800 -0.052 0.000 2.353 184 Q HA 0.689 5.021 4.340 -0.013 0.000 0.268 184 Q C -1.171 174.797 176.000 -0.052 0.000 1.045 184 Q CA -0.749 55.025 55.803 -0.048 0.000 0.811 184 Q CB 1.492 30.210 28.738 -0.034 0.000 1.305 184 Q HN 0.618 nan 8.270 nan 0.000 0.447 185 R N 3.058 123.526 120.500 -0.053 0.000 2.564 185 R HA 0.393 4.725 4.340 -0.013 0.000 0.282 185 R C -0.271 176.005 176.300 -0.040 0.000 1.573 185 R CA -0.140 55.931 56.100 -0.049 0.000 1.588 185 R CB 0.461 30.726 30.300 -0.058 0.000 1.154 185 R HN 0.696 nan 8.270 nan 0.000 0.606 186 V N -0.541 119.353 119.914 -0.033 0.000 0.609 186 V HA -0.401 3.712 4.120 -0.013 0.000 0.092 186 V C 0.890 176.969 176.094 -0.026 0.000 1.683 186 V CA 2.201 64.485 62.300 -0.027 0.000 3.346 186 V CB -1.600 30.208 31.823 -0.024 0.000 0.626 186 V HN 0.762 nan 8.190 nan 0.000 0.642 187 S N 1.908 117.591 115.700 -0.029 0.000 2.632 187 S HA 0.672 5.134 4.470 -0.013 0.000 0.267 187 S C -0.579 173.999 174.600 -0.037 0.000 1.276 187 S CA -0.223 57.961 58.200 -0.028 0.000 0.998 187 S CB 1.865 65.049 63.200 -0.027 0.000 0.953 187 S HN 1.000 nan 8.310 nan 0.000 0.547 188 L N 1.825 123.029 121.223 -0.033 0.000 2.418 188 L HA 0.507 4.839 4.340 -0.013 0.000 0.274 188 L C 0.287 177.114 176.870 -0.070 0.000 1.135 188 L CA 1.054 55.868 54.840 -0.043 0.000 0.870 188 L CB 0.461 42.506 42.059 -0.023 0.000 1.154 188 L HN 0.989 nan 8.230 nan 0.000 0.462 189 T N 2.179 116.673 114.554 -0.100 0.000 2.669 189 T HA 0.608 4.950 4.350 -0.013 0.000 0.283 189 T C -0.147 174.436 174.700 -0.195 0.000 1.019 189 T CA 0.054 62.076 62.100 -0.130 0.000 1.039 189 T CB 0.970 69.771 68.868 -0.111 0.000 1.374 189 T HN 0.816 nan 8.240 nan 0.000 0.523 190 S N 0.355 115.929 115.700 -0.209 0.000 2.626 190 S HA 0.377 4.840 4.470 -0.013 0.000 0.257 190 S C 0.027 174.481 174.600 -0.242 0.000 1.288 190 S CA -0.556 57.496 58.200 -0.246 0.000 0.980 190 S CB -0.423 62.651 63.200 -0.210 0.000 0.975 190 S HN 0.803 nan 8.310 nan 0.000 0.577 191 Y N -0.233 119.959 120.300 -0.180 0.000 2.652 191 Y HA 0.357 4.899 4.550 -0.012 0.000 0.344 191 Y C 1.181 177.011 175.900 -0.116 0.000 1.254 191 Y CA -0.254 57.767 58.100 -0.131 0.000 1.480 191 Y CB 0.114 38.525 38.460 -0.081 0.000 1.345 191 Y HN 0.729 nan 8.280 nan 0.000 0.617 192 S N 1.040 116.710 115.700 -0.050 0.000 2.520 192 S HA 0.502 4.964 4.470 -0.013 0.000 0.219 192 S C 0.813 175.385 174.600 -0.046 0.000 1.028 192 S CA -0.094 58.041 58.200 -0.108 0.000 0.921 192 S CB -0.368 62.773 63.200 -0.097 0.000 0.844 192 S HN 1.009 nan 8.310 nan 0.000 0.495 193 A N 2.127 124.924 122.820 -0.038 0.000 2.531 193 A HA 0.268 4.580 4.320 -0.013 0.000 0.236 193 A C 0.288 177.897 177.584 0.040 0.000 1.062 193 A CA -0.082 51.836 52.037 -0.199 0.000 0.760 193 A CB -0.134 18.361 19.000 -0.841 0.000 0.995 193 A HN 0.555 nan 8.150 nan 0.000 0.501 194 E N 0.768 120.972 120.200 0.007 0.000 2.384 194 E HA 0.326 4.668 4.350 -0.013 0.000 0.266 194 E C 0.566 177.237 176.600 0.118 0.000 1.012 194 E CA 0.139 56.585 56.400 0.077 0.000 0.901 194 E CB 0.718 30.449 29.700 0.051 0.000 0.967 194 E HN 0.775 nan 8.360 nan 0.000 0.435 195 A N 3.766 126.676 122.820 0.150 0.000 2.386 195 A HA 0.131 4.443 4.320 -0.013 0.000 0.248 195 A C -0.221 177.424 177.584 0.101 0.000 1.082 195 A CA -0.071 52.033 52.037 0.112 0.000 0.789 195 A CB 0.476 19.558 19.000 0.137 0.000 1.025 195 A HN 0.618 nan 8.150 nan 0.000 0.490 196 Q N -0.231 119.616 119.800 0.078 0.000 2.375 196 Q HA 0.561 4.893 4.340 -0.013 0.000 0.271 196 Q C -1.563 174.534 176.000 0.161 0.000 1.074 196 Q CA -0.781 55.089 55.803 0.112 0.000 0.808 196 Q CB 2.462 31.260 28.738 0.101 0.000 1.327 196 Q HN 0.562 nan 8.270 nan 0.000 0.441 197 L N 2.883 124.213 121.223 0.179 0.000 2.283 197 L HA 0.432 4.765 4.340 -0.013 0.000 0.281 197 L C -1.139 175.815 176.870 0.141 0.000 1.033 197 L CA 0.105 55.056 54.840 0.186 0.000 0.848 197 L CB 0.713 42.859 42.059 0.145 0.000 1.226 197 L HN 0.649 nan 8.230 nan 0.000 0.429 198 M N 4.118 123.820 119.600 0.170 0.000 2.274 198 M HA 0.424 4.896 4.480 -0.013 0.000 0.344 198 M C -0.526 175.844 176.300 0.117 0.000 1.161 198 M CA -0.036 55.388 55.300 0.207 0.000 1.126 198 M CB 1.182 33.995 32.600 0.356 0.000 1.522 198 M HN 0.500 nan 8.290 nan 0.000 0.461 199 Q N 3.332 123.183 119.800 0.086 0.000 2.292 199 Q HA 0.675 5.007 4.340 -0.013 0.000 0.270 199 Q C -1.527 174.381 176.000 -0.153 0.000 1.024 199 Q CA -0.487 55.250 55.803 -0.110 0.000 0.768 199 Q CB 2.089 30.777 28.738 -0.084 0.000 1.250 199 Q HN 0.649 nan 8.270 nan 0.000 0.447 200 F N -1.430 118.390 119.950 -0.218 0.000 2.779 200 F HA 0.638 5.157 4.527 -0.014 0.000 0.316 200 F C -1.353 174.385 175.800 -0.102 0.000 1.164 200 F CA -1.388 56.415 58.000 -0.328 0.000 0.924 200 F CB 1.410 40.301 39.000 -0.182 0.000 1.348 200 F HN 0.263 nan 8.300 nan 0.000 0.467 201 R N 1.132 121.761 120.500 0.215 0.000 2.460 201 R HA 0.386 4.718 4.340 -0.013 0.000 0.303 201 R C -2.150 174.394 176.300 0.407 0.000 0.968 201 R CA -0.560 55.677 56.100 0.228 0.000 0.889 201 R CB 1.313 31.722 30.300 0.182 0.000 1.123 201 R HN 0.823 nan 8.270 nan 0.000 0.455 202 W N 6.891 128.319 121.300 0.213 0.000 2.554 202 W HA 0.284 4.936 4.660 -0.013 0.000 0.324 202 W C -1.173 175.407 176.519 0.102 0.000 1.018 202 W CA -1.352 56.132 57.345 0.232 0.000 1.243 202 W CB 1.372 31.039 29.460 0.346 0.000 1.345 202 W HN 0.500 nan 8.180 nan 0.000 0.441 203 M N 5.521 125.386 119.600 0.442 0.000 2.193 203 M HA 0.403 4.875 4.480 -0.013 0.000 0.342 203 M C 0.256 176.540 176.300 -0.028 0.000 1.413 203 M CA 0.150 55.547 55.300 0.163 0.000 1.191 203 M CB 0.254 32.917 32.600 0.106 0.000 1.633 203 M HN 0.453 nan 8.290 nan 0.000 0.458 204 A N 6.205 128.833 122.820 -0.320 0.000 2.340 204 A HA 0.575 4.887 4.320 -0.013 0.000 0.268 204 A C -0.458 176.867 177.584 -0.432 0.000 1.100 204 A CA -0.431 51.149 52.037 -0.763 0.000 0.803 204 A CB 0.582 18.879 19.000 -1.171 0.000 1.043 204 A HN 0.907 nan 8.150 nan 0.000 0.488 205 R N 1.119 121.360 120.500 -0.431 0.000 2.439 205 R HA 0.447 4.780 4.340 -0.013 0.000 0.310 205 R C 0.254 176.410 176.300 -0.239 0.000 0.955 205 R CA -0.355 55.593 56.100 -0.253 0.000 0.853 205 R CB 1.991 32.183 30.300 -0.180 0.000 1.171 205 R HN 0.871 nan 8.270 nan 0.000 0.449 206 G N 0.687 109.376 108.800 -0.185 0.000 2.365 206 G HA2 0.156 4.108 3.960 -0.013 0.000 0.249 206 G HA3 0.156 4.108 3.960 -0.013 0.000 0.249 206 G C 0.704 175.517 174.900 -0.144 0.000 1.288 206 G CA -0.151 44.847 45.100 -0.170 0.000 0.887 206 G HN 0.696 nan 8.290 nan 0.000 0.524 207 T N -1.240 113.229 114.554 -0.142 0.000 3.058 207 T HA 0.278 4.620 4.350 -0.013 0.000 0.278 207 T C 0.445 175.085 174.700 -0.101 0.000 0.974 207 T CA -0.426 61.608 62.100 -0.111 0.000 0.893 207 T CB 0.389 69.196 68.868 -0.102 0.000 1.138 207 T HN 0.449 nan 8.240 nan 0.000 0.529 208 N N -0.251 118.375 118.700 -0.122 0.000 2.928 208 N HA 0.395 5.127 4.740 -0.013 0.000 0.247 208 N C 0.528 175.949 175.510 -0.149 0.000 1.141 208 N CA 0.507 53.487 53.050 -0.116 0.000 0.977 208 N CB 1.631 40.054 38.487 -0.106 0.000 1.663 208 N HN 0.328 nan 8.380 nan 0.000 0.509 209 G N 0.686 109.406 108.800 -0.133 0.000 2.212 209 G HA2 -0.215 3.738 3.960 -0.013 0.000 0.267 209 G HA3 -0.215 3.738 3.960 -0.013 0.000 0.267 209 G C -0.165 174.640 174.900 -0.159 0.000 1.002 209 G CA 1.308 46.318 45.100 -0.150 0.000 0.729 209 G HN 1.059 nan 8.290 nan 0.000 0.517 210 S N -1.704 113.912 115.700 -0.140 0.000 2.579 210 S HA 0.566 5.028 4.470 -0.013 0.000 0.290 210 S C 0.322 174.857 174.600 -0.108 0.000 1.123 210 S CA 0.776 58.899 58.200 -0.128 0.000 0.894 210 S CB 0.819 63.926 63.200 -0.155 0.000 1.095 210 S HN 1.609 nan 8.310 nan 0.000 0.450 211 S N 2.118 117.765 115.700 -0.088 0.000 2.601 211 S HA 0.340 4.802 4.470 -0.013 0.000 0.244 211 S C -0.120 174.435 174.600 -0.074 0.000 1.001 211 S CA -0.326 57.828 58.200 -0.077 0.000 0.984 211 S CB -0.024 63.139 63.200 -0.060 0.000 0.842 211 S HN 0.634 nan 8.310 nan 0.000 0.474 212 D N 2.381 122.730 120.400 -0.085 0.000 2.387 212 D HA 0.579 5.212 4.640 -0.013 0.000 0.255 212 D C 0.167 176.413 176.300 -0.090 0.000 1.081 212 D CA 0.084 54.037 54.000 -0.078 0.000 0.994 212 D CB 2.030 42.784 40.800 -0.076 0.000 1.127 212 D HN 0.380 nan 8.370 nan 0.000 0.513 213 T N -1.158 113.350 114.554 -0.077 0.000 2.930 213 T HA 0.708 5.051 4.350 -0.013 0.000 0.290 213 T C -0.479 174.177 174.700 -0.073 0.000 1.052 213 T CA -0.859 61.188 62.100 -0.089 0.000 1.017 213 T CB 1.130 69.957 68.868 -0.069 0.000 1.137 213 T HN 0.361 nan 8.240 nan 0.000 0.511 214 I N 0.810 121.329 120.570 -0.085 0.000 2.610 214 I HA 0.369 4.531 4.170 -0.013 0.000 0.289 214 I C -1.587 174.515 176.117 -0.025 0.000 1.163 214 I CA -0.614 60.658 61.300 -0.048 0.000 1.044 214 I CB 1.970 39.944 38.000 -0.043 0.000 1.251 214 I HN 0.619 nan 8.210 nan 0.000 0.424 215 D N 8.833 129.244 120.400 0.018 0.000 2.401 215 D HA 0.279 4.912 4.640 -0.013 0.000 0.254 215 D C -0.405 175.941 176.300 0.077 0.000 1.192 215 D CA 0.423 54.460 54.000 0.062 0.000 0.885 215 D CB 0.744 41.582 40.800 0.062 0.000 1.147 215 D HN 0.307 nan 8.370 nan 0.000 0.478 216 M N 1.427 121.105 119.600 0.129 0.000 2.364 216 M HA 0.239 4.711 4.480 -0.013 0.000 0.334 216 M C 0.075 176.449 176.300 0.123 0.000 1.107 216 M CA -0.605 54.777 55.300 0.137 0.000 0.988 216 M CB 1.453 34.184 32.600 0.218 0.000 1.673 216 M HN -0.006 nan 8.290 nan 0.000 0.441 217 T N 3.076 117.662 114.554 0.053 0.000 2.743 217 T HA 0.554 4.896 4.350 -0.013 0.000 0.293 217 T C -0.034 174.622 174.700 -0.073 0.000 0.945 217 T CA -0.379 61.714 62.100 -0.012 0.000 1.030 217 T CB 0.606 69.466 68.868 -0.013 0.000 0.912 217 T HN 0.421 nan 8.240 nan 0.000 0.483 218 V N 5.073 124.852 119.914 -0.226 0.000 2.495 218 V HA 0.423 4.535 4.120 -0.013 0.000 0.298 218 V C 0.019 175.847 176.094 -0.443 0.000 1.031 218 V CA -1.049 61.037 62.300 -0.355 0.000 0.871 218 V CB 1.741 33.240 31.823 -0.540 0.000 0.988 218 V HN 0.792 nan 8.190 nan 0.000 0.432 219 N N 3.181 121.765 118.700 -0.195 0.000 2.446 219 N HA 0.594 5.327 4.740 -0.013 0.000 0.265 219 N C -0.524 175.020 175.510 0.057 0.000 0.975 219 N CA -0.192 52.801 53.050 -0.094 0.000 0.928 219 N CB 2.221 40.687 38.487 -0.035 0.000 1.160 219 N HN 0.814 nan 8.380 nan 0.000 0.495 220 A N 2.630 125.527 122.820 0.128 0.000 2.273 220 A HA 0.153 4.465 4.320 -0.013 0.000 0.320 220 A C -0.493 177.227 177.584 0.226 0.000 1.358 220 A CA -0.600 51.609 52.037 0.288 0.000 0.910 220 A CB 0.085 19.385 19.000 0.500 0.000 1.159 220 A HN 0.746 nan 8.150 nan 0.000 0.526 221 H N 2.706 121.820 119.070 0.074 0.000 2.761 221 H HA 0.291 4.839 4.556 -0.013 0.000 0.284 221 H C -0.936 174.467 175.328 0.125 0.000 1.105 221 H CA -0.362 55.728 56.048 0.069 0.000 1.352 221 H CB 0.498 30.269 29.762 0.015 0.000 1.423 221 H HN 0.649 nan 8.280 nan 0.000 0.464 222 C N 6.056 125.277 119.300 -0.131 0.000 2.265 222 C HA 0.263 4.715 4.460 -0.013 0.000 0.332 222 C C -0.246 174.602 174.990 -0.238 0.000 1.248 222 C CA -0.610 58.310 59.018 -0.163 0.000 1.727 222 C CB -1.505 26.189 27.740 -0.076 0.000 2.348 222 C HN 0.913 nan 8.230 nan 0.000 0.519 223 H N 0.548 119.347 119.070 -0.453 0.000 3.108 223 H HA 0.625 5.173 4.556 -0.013 0.000 0.329 223 H C 0.423 175.349 175.328 -0.670 0.000 0.978 223 H CA 0.090 55.853 56.048 -0.474 0.000 1.413 223 H CB 0.420 29.946 29.762 -0.393 0.000 1.670 223 H HN 0.986 nan 8.280 nan 0.000 0.512 224 G N 2.992 110.987 108.800 -1.341 0.000 2.583 224 G HA2 -0.357 3.595 3.960 -0.013 0.000 0.292 224 G HA3 -0.357 3.595 3.960 -0.013 0.000 0.292 224 G C 0.582 175.206 174.900 -0.460 0.000 1.203 224 G CA 0.200 44.551 45.100 -1.249 0.000 0.987 224 G HN 0.722 nan 8.290 nan 0.000 0.554 225 R N 0.410 120.722 120.500 -0.312 0.000 2.466 225 R HA 0.258 4.591 4.340 -0.013 0.000 0.279 225 R C 0.822 176.908 176.300 -0.355 0.000 0.976 225 R CA -0.213 55.736 56.100 -0.251 0.000 1.081 225 R CB 0.484 30.710 30.300 -0.122 0.000 1.215 225 R HN 0.323 nan 8.270 nan 0.000 0.546 226 R N 0.997 121.192 120.500 -0.509 0.000 2.229 226 R HA 0.181 4.513 4.340 -0.013 0.000 0.328 226 R C -1.030 174.962 176.300 -0.512 0.000 1.009 226 R CA 0.209 55.969 56.100 -0.566 0.000 0.864 226 R CB 1.073 30.940 30.300 -0.722 0.000 1.085 226 R HN -0.186 nan 8.270 nan 0.000 0.453 227 T N 4.426 118.727 114.554 -0.421 0.000 2.772 227 T HA 0.311 4.654 4.350 -0.013 0.000 0.288 227 T C -1.145 173.323 174.700 -0.388 0.000 0.994 227 T CA -0.713 61.169 62.100 -0.364 0.000 0.951 227 T CB 0.771 69.385 68.868 -0.423 0.000 0.933 227 T HN 0.438 nan 8.240 nan 0.000 0.447 228 D N 2.404 122.715 120.400 -0.148 0.000 2.233 228 D HA 0.262 4.894 4.640 -0.013 0.000 0.240 228 D C -0.737 175.560 176.300 -0.006 0.000 1.074 228 D CA -0.241 53.722 54.000 -0.062 0.000 0.838 228 D CB 1.101 41.974 40.800 0.123 0.000 1.124 228 D HN 0.374 nan 8.370 nan 0.000 0.475 229 Y N 1.449 121.779 120.300 0.050 0.000 2.335 229 Y HA 0.357 4.900 4.550 -0.012 0.000 0.339 229 Y C 0.141 176.049 175.900 0.013 0.000 0.987 229 Y CA -0.804 57.325 58.100 0.047 0.000 1.140 229 Y CB 1.164 39.649 38.460 0.043 0.000 1.173 229 Y HN 0.139 nan 8.280 nan 0.000 0.486 230 M N 5.382 125.084 119.600 0.171 0.000 2.023 230 M HA 0.475 4.947 4.480 -0.013 0.000 0.325 230 M C -1.026 175.286 176.300 0.019 0.000 0.963 230 M CA 0.032 55.371 55.300 0.065 0.000 0.928 230 M CB 0.805 33.424 32.600 0.031 0.000 1.429 230 M HN 0.400 nan 8.290 nan 0.000 0.404 231 M N 0.602 120.203 119.600 0.002 0.000 2.456 231 M HA 0.706 5.178 4.480 -0.013 0.000 0.324 231 M C -0.407 175.895 176.300 0.003 0.000 1.124 231 M CA -0.638 54.655 55.300 -0.012 0.000 0.959 231 M CB 2.334 34.917 32.600 -0.028 0.000 1.692 231 M HN 0.474 nan 8.290 nan 0.000 0.444 232 S N 1.076 116.784 115.700 0.012 0.000 2.547 232 S HA 0.638 5.100 4.470 -0.013 0.000 0.281 232 S C -0.699 173.922 174.600 0.036 0.000 1.118 232 S CA -0.656 57.557 58.200 0.021 0.000 0.947 232 S CB 1.686 64.893 63.200 0.011 0.000 1.053 232 S HN 0.774 nan 8.310 nan 0.000 0.482 233 S N 2.303 118.029 115.700 0.043 0.000 2.541 233 S HA 0.699 5.161 4.470 -0.013 0.000 0.283 233 S C -0.234 174.390 174.600 0.040 0.000 1.196 233 S CA -0.570 57.658 58.200 0.047 0.000 1.062 233 S CB 1.045 64.274 63.200 0.049 0.000 1.009 233 S HN 0.763 nan 8.310 nan 0.000 0.502 234 T N -0.100 114.477 114.554 0.038 0.000 2.758 234 T HA 0.769 5.111 4.350 -0.013 0.000 0.285 234 T C 0.524 175.242 174.700 0.029 0.000 0.981 234 T CA -0.120 61.999 62.100 0.033 0.000 0.965 234 T CB 0.323 69.211 68.868 0.033 0.000 0.927 234 T HN 1.927 nan 8.240 nan 0.000 0.448 235 G N 2.784 111.600 108.800 0.027 0.000 2.479 235 G HA2 0.013 3.965 3.960 -0.013 0.000 0.686 235 G HA3 0.013 3.965 3.960 -0.013 0.000 0.686 235 G C -1.134 173.778 174.900 0.019 0.000 1.295 235 G CA -0.755 44.357 45.100 0.020 0.000 0.922 235 G HN 1.173 nan 8.290 nan 0.000 0.582 236 N N -0.652 118.054 118.700 0.010 0.000 2.443 236 N HA 0.578 5.311 4.740 -0.013 0.000 0.295 236 N C -0.849 174.652 175.510 -0.015 0.000 1.076 236 N CA -0.690 52.361 53.050 0.003 0.000 0.919 236 N CB 2.682 41.170 38.487 0.003 0.000 1.176 236 N HN 0.799 nan 8.380 nan 0.000 0.487 237 L N 1.392 122.597 121.223 -0.031 0.000 2.282 237 L HA 0.344 4.677 4.340 -0.013 0.000 0.288 237 L C -0.332 176.495 176.870 -0.071 0.000 1.033 237 L CA -0.148 54.659 54.840 -0.055 0.000 0.807 237 L CB 1.277 43.297 42.059 -0.064 0.000 1.209 237 L HN 0.562 nan 8.230 nan 0.000 0.423 238 T N 5.339 119.852 114.554 -0.068 0.000 2.738 238 T HA 0.392 4.734 4.350 -0.013 0.000 0.293 238 T C 0.063 174.704 174.700 -0.099 0.000 0.913 238 T CA -0.189 61.867 62.100 -0.072 0.000 1.103 238 T CB 0.155 68.989 68.868 -0.057 0.000 0.880 238 T HN 0.548 nan 8.240 nan 0.000 0.526 239 V N 1.723 121.568 119.914 -0.114 0.000 2.834 239 V HA 0.800 4.913 4.120 -0.013 0.000 0.313 239 V C 0.742 176.773 176.094 -0.106 0.000 1.060 239 V CA -0.507 61.709 62.300 -0.139 0.000 0.989 239 V CB 1.706 33.414 31.823 -0.192 0.000 1.041 239 V HN 0.857 nan 8.190 nan 0.000 0.459 240 T N -1.263 113.226 114.554 -0.109 0.000 2.986 240 T HA 0.364 4.706 4.350 -0.013 0.000 0.264 240 T C 0.676 175.329 174.700 -0.079 0.000 0.964 240 T CA 0.567 62.618 62.100 -0.082 0.000 0.895 240 T CB 0.133 68.957 68.868 -0.074 0.000 1.163 240 T HN 1.018 nan 8.240 nan 0.000 0.517 241 S N 0.951 116.590 115.700 -0.100 0.000 2.732 241 S HA 0.414 4.876 4.470 -0.013 0.000 0.293 241 S C 0.281 174.818 174.600 -0.106 0.000 1.159 241 S CA -0.259 57.885 58.200 -0.094 0.000 0.847 241 S CB 1.367 64.506 63.200 -0.101 0.000 1.169 241 S HN 0.480 nan 8.310 nan 0.000 0.501 242 N N -0.058 118.590 118.700 -0.088 0.000 2.463 242 N HA 0.081 4.813 4.740 -0.013 0.000 0.181 242 N C -0.216 175.214 175.510 -0.133 0.000 1.078 242 N CA 0.239 53.239 53.050 -0.082 0.000 0.902 242 N CB 0.117 38.579 38.487 -0.042 0.000 0.970 242 N HN 0.195 nan 8.380 nan 0.000 0.451 243 V N 0.518 120.330 119.914 -0.171 0.000 2.789 243 V HA 0.527 4.640 4.120 -0.013 0.000 0.311 243 V C -0.740 175.163 176.094 -0.320 0.000 1.073 243 V CA -1.081 61.075 62.300 -0.241 0.000 0.921 243 V CB 1.900 33.618 31.823 -0.175 0.000 1.009 243 V HN -0.048 nan 8.190 nan 0.000 0.426 244 V N 4.723 124.327 119.914 -0.517 0.000 2.823 244 V HA 0.688 4.800 4.120 -0.013 0.000 0.312 244 V C -1.490 174.285 176.094 -0.531 0.000 1.072 244 V CA -0.614 61.353 62.300 -0.555 0.000 0.937 244 V CB 2.099 33.508 31.823 -0.690 0.000 1.013 244 V HN 0.715 nan 8.190 nan 0.000 0.430 245 L N 5.970 127.000 121.223 -0.323 0.000 2.305 245 L HA 0.600 4.932 4.340 -0.013 0.000 0.284 245 L C -0.670 176.099 176.870 -0.169 0.000 1.013 245 L CA -0.135 54.587 54.840 -0.198 0.000 0.819 245 L CB 1.423 43.404 42.059 -0.130 0.000 1.227 245 L HN 0.551 nan 8.230 nan 0.000 0.417 246 L N 3.229 124.407 121.223 -0.074 0.000 2.298 246 L HA 0.556 4.889 4.340 -0.013 0.000 0.284 246 L C -0.036 176.699 176.870 -0.226 0.000 1.013 246 L CA 0.174 54.936 54.840 -0.129 0.000 0.824 246 L CB 1.590 43.680 42.059 0.053 0.000 1.221 246 L HN 0.547 nan 8.230 nan 0.000 0.418 247 T N 5.349 119.680 114.554 -0.372 0.000 2.806 247 T HA 0.438 4.780 4.350 -0.013 0.000 0.290 247 T C -0.557 173.702 174.700 -0.735 0.000 0.966 247 T CA 0.281 62.148 62.100 -0.388 0.000 1.060 247 T CB 0.149 68.884 68.868 -0.221 0.000 0.927 247 T HN 0.200 nan 8.240 nan 0.000 0.485 248 F N 2.697 122.196 119.950 -0.752 0.000 2.359 248 F HA 0.281 4.802 4.527 -0.010 0.000 0.370 248 F C 0.441 176.089 175.800 -0.252 0.000 1.077 248 F CA -1.152 56.259 58.000 -0.981 0.000 1.136 248 F CB 0.853 38.609 39.000 -2.073 0.000 1.387 248 F HN 0.414 nan 8.300 nan 0.000 0.468 249 D N 2.994 123.562 120.400 0.280 0.000 2.198 249 D HA 0.222 4.855 4.640 -0.013 0.000 0.245 249 D C 1.170 177.796 176.300 0.543 0.000 1.079 249 D CA -0.167 54.059 54.000 0.377 0.000 0.854 249 D CB 1.551 42.464 40.800 0.188 0.000 1.148 249 D HN 0.458 nan 8.370 nan 0.000 0.456 250 L N 2.412 123.854 121.223 0.366 0.000 2.187 250 L HA -0.178 4.154 4.340 -0.013 0.000 0.213 250 L C 2.126 178.958 176.870 -0.064 0.000 1.100 250 L CA 0.736 55.613 54.840 0.061 0.000 0.765 250 L CB -0.236 41.854 42.059 0.052 0.000 0.904 250 L HN 0.336 nan 8.230 nan 0.000 0.437 251 S N -0.915 114.807 115.700 0.038 0.000 2.474 251 S HA -0.115 4.348 4.470 -0.013 0.000 0.235 251 S C 1.114 175.715 174.600 0.003 0.000 0.997 251 S CA 0.782 58.984 58.200 0.004 0.000 0.949 251 S CB -0.137 63.081 63.200 0.031 0.000 0.766 251 S HN 0.428 nan 8.310 nan 0.000 0.517 252 D N 0.849 121.288 120.400 0.064 0.000 2.325 252 D HA 0.243 4.875 4.640 -0.013 0.000 0.225 252 D C 0.102 176.433 176.300 0.052 0.000 1.096 252 D CA 0.080 54.148 54.000 0.113 0.000 0.844 252 D CB 0.173 41.115 40.800 0.238 0.000 0.925 252 D HN 0.369 nan 8.370 nan 0.000 0.513 253 I N 1.523 121.965 120.570 -0.213 0.000 2.395 253 I HA 0.049 4.211 4.170 -0.013 0.000 0.289 253 I C 0.690 176.744 176.117 -0.104 0.000 1.023 253 I CA -0.017 61.090 61.300 -0.321 0.000 1.350 253 I CB 1.233 38.787 38.000 -0.743 0.000 1.409 253 I HN -0.151 nan 8.210 nan 0.000 0.507 254 T N 0.984 115.563 114.554 0.041 0.000 2.885 254 T HA 0.616 4.958 4.350 -0.013 0.000 0.285 254 T C -0.087 174.770 174.700 0.262 0.000 1.019 254 T CA -0.327 61.830 62.100 0.095 0.000 1.010 254 T CB 2.169 71.101 68.868 0.106 0.000 1.022 254 T HN 0.869 nan 8.240 nan 0.000 0.466 255 H N 1.014 120.082 119.070 -0.003 0.000 4.221 255 H HA -0.184 4.364 4.556 -0.013 0.000 0.087 255 H C 0.460 175.732 175.328 -0.093 0.000 0.626 255 H CA 1.216 57.260 56.048 -0.007 0.000 1.173 255 H CB -1.596 28.210 29.762 0.073 0.000 1.091 255 H HN 1.891 nan 8.280 nan 0.000 0.849 256 I N -1.065 119.476 120.570 -0.047 0.000 7.870 256 I HA -0.093 4.069 4.170 -0.013 0.000 0.126 256 I C -3.020 173.008 176.117 -0.149 0.000 1.847 256 I CA -0.412 60.741 61.300 -0.244 0.000 2.037 256 I CB -0.230 37.638 38.000 -0.219 0.000 3.728 256 I HN 0.370 nan 8.210 nan 0.000 0.169 257 P HA 0.333 nan 4.420 nan 0.000 0.274 257 P C 0.756 178.013 177.300 -0.071 0.000 1.237 257 P CA 0.100 63.153 63.100 -0.078 0.000 0.793 257 P CB 1.309 32.970 31.700 -0.066 0.000 0.977 258 S N -0.886 114.797 115.700 -0.028 0.000 2.406 258 S HA -0.114 4.348 4.470 -0.013 0.000 0.228 258 S C 1.026 175.604 174.600 -0.036 0.000 1.020 258 S CA 0.826 59.009 58.200 -0.028 0.000 0.965 258 S CB -0.620 62.577 63.200 -0.006 0.000 0.798 258 S HN 0.438 nan 8.310 nan 0.000 0.488 259 D N 1.065 121.446 120.400 -0.033 0.000 2.994 259 D HA 0.233 4.865 4.640 -0.013 0.000 0.240 259 D C 0.827 177.074 176.300 -0.088 0.000 1.195 259 D CA -0.262 53.707 54.000 -0.052 0.000 0.957 259 D CB -0.271 40.514 40.800 -0.025 0.000 1.105 259 D HN 0.255 nan 8.370 nan 0.000 0.477 260 L N 1.018 122.185 121.223 -0.093 0.000 2.261 260 L HA -0.126 4.206 4.340 -0.013 0.000 0.216 260 L C 2.107 178.915 176.870 -0.104 0.000 1.114 260 L CA 1.497 56.272 54.840 -0.108 0.000 0.777 260 L CB -0.144 41.854 42.059 -0.101 0.000 0.910 260 L HN 0.238 nan 8.230 nan 0.000 0.440 261 A N -0.643 122.103 122.820 -0.124 0.000 2.024 261 A HA -0.194 4.118 4.320 -0.013 0.000 0.220 261 A C 2.125 179.591 177.584 -0.198 0.000 1.164 261 A CA 1.283 53.225 52.037 -0.158 0.000 0.643 261 A CB -0.517 18.366 19.000 -0.195 0.000 0.806 261 A HN 0.433 nan 8.150 nan 0.000 0.451 262 R N -0.494 119.891 120.500 -0.193 0.000 2.316 262 R HA 0.063 4.396 4.340 -0.013 0.000 0.202 262 R C 0.711 176.935 176.300 -0.126 0.000 1.029 262 R CA 0.672 56.656 56.100 -0.193 0.000 1.018 262 R CB -0.449 29.761 30.300 -0.150 0.000 0.888 262 R HN 0.602 nan 8.270 nan 0.000 0.471 263 L N 0.012 121.201 121.223 -0.057 0.000 2.906 263 L HA 0.256 4.588 4.340 -0.013 0.000 0.255 263 L C -0.097 176.830 176.870 0.094 0.000 1.166 263 L CA -0.181 54.709 54.840 0.084 0.000 0.977 263 L CB 0.852 43.001 42.059 0.150 0.000 1.313 263 L HN -0.262 nan 8.230 nan 0.000 0.549 264 V N 2.060 121.947 119.914 -0.045 0.000 2.398 264 V HA 0.388 4.500 4.120 -0.013 0.000 0.286 264 V C -2.035 173.922 176.094 -0.228 0.000 1.026 264 V CA -1.566 60.680 62.300 -0.089 0.000 0.868 264 V CB 1.462 33.235 31.823 -0.083 0.000 0.982 264 V HN -0.026 nan 8.190 nan 0.000 0.443 265 P HA 0.233 nan 4.420 nan 0.000 0.276 265 P C -0.140 176.997 177.300 -0.272 0.000 1.244 265 P CA -0.235 62.595 63.100 -0.451 0.000 0.801 265 P CB 1.171 32.445 31.700 -0.710 0.000 1.006 266 S N 0.486 116.070 115.700 -0.194 0.000 2.589 266 S HA 0.262 4.724 4.470 -0.013 0.000 0.265 266 S C 1.566 176.131 174.600 -0.058 0.000 1.342 266 S CA 0.076 58.208 58.200 -0.113 0.000 1.005 266 S CB 0.175 63.319 63.200 -0.093 0.000 0.909 266 S HN 0.554 nan 8.310 nan 0.000 0.555 267 A N 2.312 125.102 122.820 -0.050 0.000 1.902 267 A HA 0.134 4.446 4.320 -0.013 0.000 0.217 267 A C 2.239 179.821 177.584 -0.004 0.000 1.181 267 A CA 1.678 53.699 52.037 -0.026 0.000 0.623 267 A CB -1.867 17.117 19.000 -0.026 0.000 0.818 267 A HN 1.182 nan 8.150 nan 0.000 0.443 268 G N -1.091 107.706 108.800 -0.005 0.000 2.491 268 G HA2 -0.289 3.663 3.960 -0.013 0.000 0.218 268 G HA3 -0.289 3.663 3.960 -0.013 0.000 0.218 268 G C 1.488 176.408 174.900 0.033 0.000 1.180 268 G CA 1.252 46.357 45.100 0.008 0.000 0.774 268 G HN 0.477 nan 8.290 nan 0.000 0.562 269 F N 1.317 121.211 119.950 -0.094 0.000 2.102 269 F HA -0.064 4.455 4.527 -0.013 0.000 0.298 269 F C 3.063 178.837 175.800 -0.043 0.000 1.105 269 F CA 1.968 59.910 58.000 -0.096 0.000 1.239 269 F CB -0.228 38.658 39.000 -0.190 0.000 0.991 269 F HN 0.173 nan 8.300 nan 0.000 0.474 270 Q N -0.237 119.619 119.800 0.093 0.000 2.376 270 Q HA -0.204 4.129 4.340 -0.013 0.000 0.211 270 Q C 2.109 178.161 176.000 0.086 0.000 0.986 270 Q CA 0.962 56.822 55.803 0.095 0.000 0.886 270 Q CB -0.418 28.343 28.738 0.039 0.000 0.927 270 Q HN 0.539 nan 8.270 nan 0.000 0.457 271 A N 0.135 122.960 122.820 0.009 0.000 2.167 271 A HA 0.320 4.632 4.320 -0.013 0.000 0.214 271 A C 0.831 178.414 177.584 -0.002 0.000 1.151 271 A CA 0.759 52.802 52.037 0.009 0.000 0.735 271 A CB 0.214 19.209 19.000 -0.009 0.000 0.802 271 A HN 0.267 nan 8.150 nan 0.000 0.467 272 A N -0.888 121.909 122.820 -0.038 0.000 2.454 272 A HA 0.641 4.953 4.320 -0.013 0.000 0.302 272 A C 0.103 177.711 177.584 0.039 0.000 1.079 272 A CA -0.406 51.610 52.037 -0.036 0.000 0.731 272 A CB 0.689 19.632 19.000 -0.094 0.000 1.299 272 A HN 0.197 nan 8.150 nan 0.000 0.413 273 S N 0.442 116.164 115.700 0.035 0.000 2.563 273 S HA 0.445 4.907 4.470 -0.013 0.000 0.284 273 S C -0.386 174.277 174.600 0.104 0.000 1.331 273 S CA 0.551 58.768 58.200 0.028 0.000 1.047 273 S CB -0.382 62.780 63.200 -0.063 0.000 0.859 273 S HN 0.832 nan 8.310 nan 0.000 0.514 274 F N -0.161 119.849 119.950 0.100 0.000 2.588 274 F HA 0.718 5.237 4.527 -0.013 0.000 0.314 274 F C -2.993 172.979 175.800 0.287 0.000 1.069 274 F CA -3.545 54.536 58.000 0.134 0.000 0.931 274 F CB 0.298 39.372 39.000 0.123 0.000 1.260 274 F HN 0.222 nan 8.300 nan 0.000 0.465 275 P HA 0.194 nan 4.420 nan 0.000 0.271 275 P C -0.931 176.367 177.300 -0.002 0.000 1.216 275 P CA -0.089 63.016 63.100 0.009 0.000 0.771 275 P CB 1.674 33.424 31.700 0.084 0.000 0.864 276 V N 3.577 123.363 119.914 -0.214 0.000 2.483 276 V HA 0.200 4.313 4.120 -0.013 0.000 0.297 276 V C -0.174 175.846 176.094 -0.123 0.000 1.027 276 V CA -0.589 61.660 62.300 -0.086 0.000 0.855 276 V CB 1.828 33.607 31.823 -0.073 0.000 0.995 276 V HN 0.417 nan 8.190 nan 0.000 0.424 277 D N 3.550 123.914 120.400 -0.061 0.000 2.317 277 D HA 0.426 5.059 4.640 -0.013 0.000 0.252 277 D C -0.384 175.875 176.300 -0.068 0.000 1.174 277 D CA 0.250 54.215 54.000 -0.059 0.000 0.866 277 D CB 1.929 42.708 40.800 -0.035 0.000 1.127 277 D HN 0.245 nan 8.370 nan 0.000 0.467 278 V N 2.065 121.939 119.914 -0.066 0.000 2.540 278 V HA 0.581 4.693 4.120 -0.013 0.000 0.302 278 V C 0.118 176.195 176.094 -0.028 0.000 1.035 278 V CA -0.578 61.659 62.300 -0.105 0.000 0.873 278 V CB 1.851 33.500 31.823 -0.290 0.000 0.992 278 V HN 0.663 nan 8.190 nan 0.000 0.428 279 S N 4.606 120.292 115.700 -0.023 0.000 2.588 279 S HA 0.990 5.452 4.470 -0.013 0.000 0.275 279 S C -1.097 173.563 174.600 0.100 0.000 1.130 279 S CA -0.632 57.525 58.200 -0.072 0.000 0.855 279 S CB 2.527 65.660 63.200 -0.112 0.000 1.116 279 S HN 1.329 nan 8.310 nan 0.000 0.472 280 F N -1.813 118.164 119.950 0.045 0.000 2.799 280 F HA 0.696 5.217 4.527 -0.010 0.000 0.316 280 F C -0.888 174.992 175.800 0.134 0.000 1.155 280 F CA -0.517 57.523 58.000 0.067 0.000 0.916 280 F CB 0.854 39.895 39.000 0.070 0.000 1.294 280 F HN 0.762 nan 8.300 nan 0.000 0.447 281 T N 0.138 114.905 114.554 0.354 0.000 2.794 281 T HA 0.714 5.056 4.350 -0.013 0.000 0.280 281 T C -0.861 174.071 174.700 0.387 0.000 0.987 281 T CA -0.686 61.592 62.100 0.296 0.000 0.993 281 T CB 1.861 70.827 68.868 0.163 0.000 0.939 281 T HN 1.079 nan 8.240 nan 0.000 0.449 282 R N 2.373 123.101 120.500 0.379 0.000 2.574 282 R HA 0.318 4.650 4.340 -0.013 0.000 0.288 282 R C -1.125 175.330 176.300 0.258 0.000 1.004 282 R CA -0.378 55.877 56.100 0.259 0.000 0.895 282 R CB 0.959 31.351 30.300 0.153 0.000 1.191 282 R HN 0.824 nan 8.270 nan 0.000 0.444 283 D N 2.982 123.476 120.400 0.157 0.000 2.689 283 D HA -0.174 4.459 4.640 -0.013 0.000 0.237 283 D C -0.162 176.202 176.300 0.108 0.000 1.148 283 D CA 1.648 55.720 54.000 0.120 0.000 0.656 283 D CB -0.933 39.938 40.800 0.120 0.000 1.050 283 D HN 0.791 nan 8.370 nan 0.000 0.426 284 S N -3.213 112.547 115.700 0.099 0.000 2.675 284 S HA -0.294 4.168 4.470 -0.013 0.000 0.258 284 S C 0.688 175.325 174.600 0.062 0.000 1.282 284 S CA 1.514 59.756 58.200 0.070 0.000 1.471 284 S CB -0.787 62.439 63.200 0.044 0.000 1.848 284 S HN 1.022 nan 8.310 nan 0.000 0.655 285 A N 1.168 124.042 122.820 0.089 0.000 2.309 285 A HA 0.601 4.913 4.320 -0.013 0.000 0.298 285 A C 0.332 177.913 177.584 -0.005 0.000 1.165 285 A CA -0.031 52.004 52.037 -0.002 0.000 0.821 285 A CB 0.484 19.431 19.000 -0.088 0.000 1.102 285 A HN 0.260 nan 8.150 nan 0.000 0.500 286 T N 3.595 118.076 114.554 -0.122 0.000 2.738 286 T HA 0.313 4.655 4.350 -0.013 0.000 0.294 286 T C -0.262 174.219 174.700 -0.364 0.000 0.914 286 T CA 0.434 62.446 62.100 -0.146 0.000 1.052 286 T CB -0.638 68.156 68.868 -0.123 0.000 0.897 286 T HN 0.644 nan 8.240 nan 0.000 0.522 287 H N 1.342 120.129 119.070 -0.471 0.000 2.505 287 H HA 0.651 5.201 4.556 -0.011 0.000 0.351 287 H C 0.121 174.995 175.328 -0.757 0.000 1.151 287 H CA -0.554 55.061 56.048 -0.721 0.000 1.339 287 H CB 0.849 29.989 29.762 -1.037 0.000 1.483 287 H HN 0.727 nan 8.280 nan 0.000 0.558 288 A N 2.340 124.736 122.820 -0.707 0.000 2.429 288 A HA 0.575 4.887 4.320 -0.013 0.000 0.289 288 A C -1.789 175.430 177.584 -0.607 0.000 1.043 288 A CA -0.616 51.121 52.037 -0.500 0.000 0.722 288 A CB 0.541 19.360 19.000 -0.302 0.000 1.243 288 A HN 0.577 nan 8.150 nan 0.000 0.415 289 Y N 0.286 120.556 120.300 -0.051 0.000 2.512 289 Y HA 0.581 5.124 4.550 -0.012 0.000 0.348 289 Y C 0.234 176.105 175.900 -0.049 0.000 0.990 289 Y CA -0.904 57.194 58.100 -0.004 0.000 1.033 289 Y CB 2.130 40.643 38.460 0.089 0.000 1.259 289 Y HN 0.652 nan 8.280 nan 0.000 0.461 290 Q N 2.315 122.185 119.800 0.116 0.000 2.423 290 Q HA 0.621 4.953 4.340 -0.013 0.000 0.235 290 Q C -0.851 175.057 176.000 -0.153 0.000 1.100 290 Q CA -0.259 55.516 55.803 -0.048 0.000 0.908 290 Q CB 0.241 28.970 28.738 -0.015 0.000 1.312 290 Q HN 0.748 nan 8.270 nan 0.000 0.497 291 A N 3.733 126.407 122.820 -0.243 0.000 2.420 291 A HA 0.825 5.137 4.320 -0.013 0.000 0.291 291 A C -1.263 175.867 177.584 -0.757 0.000 1.228 291 A CA -0.381 51.511 52.037 -0.243 0.000 0.933 291 A CB 0.747 19.754 19.000 0.011 0.000 1.428 291 A HN 0.664 nan 8.150 nan 0.000 0.493 292 Y N -2.202 118.086 120.300 -0.020 0.000 2.513 292 Y HA 0.551 5.093 4.550 -0.014 0.000 0.340 292 Y C 0.581 176.326 175.900 -0.259 0.000 1.055 292 Y CA -0.169 57.839 58.100 -0.154 0.000 1.020 292 Y CB 2.184 40.574 38.460 -0.116 0.000 1.301 292 Y HN 0.941 nan 8.280 nan 0.000 0.453 293 G N 0.503 108.981 108.800 -0.537 0.000 2.537 293 G HA2 0.673 4.625 3.960 -0.013 0.000 0.323 293 G HA3 0.673 4.625 3.960 -0.013 0.000 0.323 293 G C -1.768 172.714 174.900 -0.696 0.000 1.207 293 G CA -1.015 43.678 45.100 -0.679 0.000 0.976 293 G HN 0.606 nan 8.290 nan 0.000 0.487 294 V N -0.118 119.700 119.914 -0.159 0.000 2.891 294 V HA 0.506 4.618 4.120 -0.013 0.000 0.304 294 V C -1.665 174.612 176.094 0.304 0.000 1.171 294 V CA -1.022 61.378 62.300 0.167 0.000 0.943 294 V CB 1.619 33.501 31.823 0.098 0.000 1.037 294 V HN 0.676 nan 8.190 nan 0.000 0.427 295 Y N 3.987 124.569 120.300 0.470 0.000 2.377 295 Y HA 0.255 4.798 4.550 -0.012 0.000 0.330 295 Y C 1.706 177.758 175.900 0.254 0.000 1.108 295 Y CA 1.005 59.348 58.100 0.405 0.000 1.308 295 Y CB 1.900 40.572 38.460 0.353 0.000 1.216 295 Y HN 0.821 nan 8.280 nan 0.000 0.518 296 S N 0.041 115.934 115.700 0.321 0.000 2.458 296 S HA 0.109 4.571 4.470 -0.013 0.000 0.223 296 S C 0.599 175.328 174.600 0.214 0.000 1.019 296 S CA 0.453 58.780 58.200 0.213 0.000 0.937 296 S CB -0.098 63.187 63.200 0.142 0.000 0.788 296 S HN 0.602 nan 8.310 nan 0.000 0.511 297 S N 0.678 116.546 115.700 0.281 0.000 2.790 297 S HA 0.522 4.984 4.470 -0.013 0.000 0.292 297 S C 0.668 175.446 174.600 0.297 0.000 1.197 297 S CA 0.059 58.397 58.200 0.229 0.000 0.851 297 S CB 0.780 64.080 63.200 0.167 0.000 1.217 297 S HN 0.440 nan 8.310 nan 0.000 0.526 298 S N -0.142 115.670 115.700 0.188 0.000 2.527 298 S HA 0.150 4.612 4.470 -0.013 0.000 0.222 298 S C 1.209 175.938 174.600 0.216 0.000 0.985 298 S CA 0.077 58.353 58.200 0.127 0.000 0.921 298 S CB -0.487 62.737 63.200 0.040 0.000 0.772 298 S HN 0.669 nan 8.310 nan 0.000 0.529 299 R N -0.058 120.613 120.500 0.286 0.000 2.365 299 R HA 0.384 4.716 4.340 -0.013 0.000 0.223 299 R C -0.851 175.720 176.300 0.452 0.000 0.899 299 R CA 0.095 56.387 56.100 0.321 0.000 1.059 299 R CB 1.092 31.509 30.300 0.195 0.000 1.086 299 R HN 0.275 nan 8.270 nan 0.000 0.522 300 V N 2.105 122.318 119.914 0.499 0.000 2.524 300 V HA 0.342 4.454 4.120 -0.013 0.000 0.297 300 V C -0.923 175.368 176.094 0.329 0.000 1.035 300 V CA -1.020 61.492 62.300 0.353 0.000 0.867 300 V CB 1.399 33.346 31.823 0.207 0.000 1.004 300 V HN 0.115 nan 8.190 nan 0.000 0.426 301 F N 1.685 121.626 119.950 -0.015 0.000 2.561 301 F HA 0.946 5.466 4.527 -0.011 0.000 0.321 301 F C -0.197 175.590 175.800 -0.021 0.000 1.065 301 F CA -0.716 57.137 58.000 -0.246 0.000 0.934 301 F CB 2.064 40.569 39.000 -0.825 0.000 1.215 301 F HN 0.292 nan 8.300 nan 0.000 0.471 302 T N 4.622 119.227 114.554 0.084 0.000 2.841 302 T HA 0.544 4.886 4.350 -0.013 0.000 0.285 302 T C -0.255 174.520 174.700 0.125 0.000 0.991 302 T CA -0.576 61.540 62.100 0.026 0.000 0.966 302 T CB 1.189 70.057 68.868 0.000 0.000 0.962 302 T HN 0.785 nan 8.240 nan 0.000 0.438 303 I N 0.414 121.091 120.570 0.178 0.000 2.566 303 I HA 0.771 4.934 4.170 -0.013 0.000 0.303 303 I C -0.606 175.618 176.117 0.178 0.000 0.983 303 I CA -0.425 60.994 61.300 0.199 0.000 1.235 303 I CB 1.609 39.778 38.000 0.281 0.000 1.386 303 I HN 0.368 nan 8.210 nan 0.000 0.494 304 T N 6.667 121.320 114.554 0.165 0.000 2.840 304 T HA 0.667 5.009 4.350 -0.013 0.000 0.287 304 T C -0.841 173.959 174.700 0.167 0.000 0.991 304 T CA -0.302 61.837 62.100 0.064 0.000 0.964 304 T CB 0.859 69.742 68.868 0.023 0.000 0.954 304 T HN 0.564 nan 8.240 nan 0.000 0.438 305 F N 1.536 121.447 119.950 -0.064 0.000 2.631 305 F HA 0.794 5.316 4.527 -0.010 0.000 0.308 305 F C -3.326 172.350 175.800 -0.206 0.000 1.097 305 F CA -3.269 54.664 58.000 -0.110 0.000 0.952 305 F CB 0.465 39.455 39.000 -0.017 0.000 1.307 305 F HN 0.184 nan 8.300 nan 0.000 0.450 306 P HA 0.186 nan 4.420 nan 0.000 0.271 306 P C 0.603 177.850 177.300 -0.088 0.000 1.216 306 P CA -0.110 62.775 63.100 -0.357 0.000 0.776 306 P CB 1.101 32.388 31.700 -0.689 0.000 0.881 307 T N -1.325 113.184 114.554 -0.075 0.000 3.081 307 T HA 0.240 4.582 4.350 -0.013 0.000 0.255 307 T C 1.308 176.114 174.700 0.178 0.000 1.113 307 T CA 0.659 62.730 62.100 -0.047 0.000 1.082 307 T CB -0.668 68.087 68.868 -0.188 0.000 0.939 307 T HN 0.630 nan 8.240 nan 0.000 0.506 308 G N -0.294 108.658 108.800 0.252 0.000 2.184 308 G HA2 0.269 4.221 3.960 -0.013 0.000 0.206 308 G HA3 0.269 4.221 3.960 -0.013 0.000 0.206 308 G C 0.447 175.471 174.900 0.206 0.000 0.995 308 G CA -0.319 44.933 45.100 0.254 0.000 0.651 308 G HN 1.421 nan 8.290 nan 0.000 0.511 309 G N -1.274 107.597 108.800 0.118 0.000 2.356 309 G HA2 0.495 4.447 3.960 -0.013 0.000 0.281 309 G HA3 0.495 4.447 3.960 -0.013 0.000 0.281 309 G C -2.149 172.770 174.900 0.031 0.000 1.246 309 G CA 0.305 45.454 45.100 0.082 0.000 0.889 309 G HN 0.323 nan 8.290 nan 0.000 0.486 310 D N -0.760 119.651 120.400 0.018 0.000 2.566 310 D HA 0.591 5.223 4.640 -0.013 0.000 0.254 310 D C 0.830 177.122 176.300 -0.013 0.000 1.090 310 D CA 0.788 54.786 54.000 -0.004 0.000 1.034 310 D CB 2.209 43.010 40.800 0.000 0.000 1.434 310 D HN 1.388 nan 8.370 nan 0.000 0.509 311 G N 0.187 108.972 108.800 -0.024 0.000 2.633 311 G HA2 -0.239 3.713 3.960 -0.013 0.000 0.263 311 G HA3 -0.239 3.713 3.960 -0.013 0.000 0.263 311 G C -0.097 174.782 174.900 -0.036 0.000 1.310 311 G CA -0.108 44.975 45.100 -0.028 0.000 0.914 311 G HN 0.473 nan 8.290 nan 0.000 0.569 312 T N 1.041 115.576 114.554 -0.032 0.000 2.916 312 T HA 0.610 4.953 4.350 -0.013 0.000 0.303 312 T C 0.709 175.392 174.700 -0.029 0.000 1.025 312 T CA 1.382 63.460 62.100 -0.036 0.000 1.142 312 T CB 0.940 69.789 68.868 -0.031 0.000 0.947 312 T HN 2.063 nan 8.240 nan 0.000 0.544 313 A N 3.397 126.194 122.820 -0.038 0.000 2.540 313 A HA 0.661 4.973 4.320 -0.013 0.000 0.291 313 A C -1.519 176.040 177.584 -0.041 0.000 1.083 313 A CA -1.034 50.985 52.037 -0.029 0.000 0.650 313 A CB 1.290 20.275 19.000 -0.025 0.000 1.292 313 A HN 0.681 nan 8.150 nan 0.000 0.435 314 N N 1.081 119.766 118.700 -0.025 0.000 2.399 314 N HA 0.517 5.249 4.740 -0.013 0.000 0.284 314 N C -0.914 174.584 175.510 -0.019 0.000 1.025 314 N CA -0.206 52.828 53.050 -0.027 0.000 0.885 314 N CB 1.990 40.472 38.487 -0.007 0.000 1.339 314 N HN 0.800 nan 8.380 nan 0.000 0.487 315 I N -0.757 119.776 120.570 -0.062 0.000 2.437 315 I HA 0.607 4.770 4.170 -0.013 0.000 0.298 315 I C -0.363 175.767 176.117 0.021 0.000 0.984 315 I CA -0.607 60.663 61.300 -0.049 0.000 1.214 315 I CB 1.462 39.248 38.000 -0.357 0.000 1.365 315 I HN 0.215 nan 8.210 nan 0.000 0.469 316 R N 2.524 123.095 120.500 0.118 0.000 2.888 316 R HA 0.478 4.810 4.340 -0.013 0.000 0.264 316 R C -0.015 176.373 176.300 0.148 0.000 1.045 316 R CA -0.939 55.223 56.100 0.104 0.000 0.962 316 R CB 1.962 32.314 30.300 0.087 0.000 1.210 316 R HN 0.842 nan 8.270 nan 0.000 0.479 317 S N 0.562 116.322 115.700 0.101 0.000 3.581 317 S HA -0.161 4.301 4.470 -0.013 0.000 0.354 317 S C -0.201 174.471 174.600 0.120 0.000 1.059 317 S CA 0.320 58.576 58.200 0.094 0.000 1.060 317 S CB -1.153 62.098 63.200 0.086 0.000 0.908 317 S HN 0.414 nan 8.310 nan 0.000 0.475 318 L N 3.006 124.301 121.223 0.119 0.000 2.477 318 L HA 0.393 4.725 4.340 -0.013 0.000 0.272 318 L C 0.807 177.714 176.870 0.061 0.000 1.157 318 L CA 1.020 55.931 54.840 0.117 0.000 0.889 318 L CB 0.362 42.464 42.059 0.072 0.000 1.158 318 L HN 0.383 nan 8.230 nan 0.000 0.473 319 T N 2.645 117.224 114.554 0.042 0.000 2.888 319 T HA 0.778 5.120 4.350 -0.013 0.000 0.284 319 T C -0.544 174.136 174.700 -0.034 0.000 1.017 319 T CA -0.800 61.304 62.100 0.006 0.000 1.022 319 T CB 1.617 70.485 68.868 0.000 0.000 1.013 319 T HN 0.363 nan 8.240 nan 0.000 0.465 320 V N 2.815 122.708 119.914 -0.034 0.000 2.577 320 V HA 0.622 4.734 4.120 -0.013 0.000 0.303 320 V C -0.250 175.830 176.094 -0.023 0.000 1.042 320 V CA -0.925 61.340 62.300 -0.060 0.000 0.872 320 V CB 1.819 33.583 31.823 -0.098 0.000 0.998 320 V HN 0.926 nan 8.190 nan 0.000 0.423 321 R N 1.862 122.359 120.500 -0.006 0.000 2.476 321 R HA 0.793 5.125 4.340 -0.013 0.000 0.305 321 R C -0.627 175.712 176.300 0.064 0.000 0.965 321 R CA -0.173 55.948 56.100 0.035 0.000 0.867 321 R CB 2.183 32.495 30.300 0.019 0.000 1.176 321 R HN 0.855 nan 8.270 nan 0.000 0.447 322 T N 0.508 115.136 114.554 0.123 0.000 2.711 322 T HA 0.757 5.099 4.350 -0.013 0.000 0.302 322 T C -1.436 173.325 174.700 0.101 0.000 1.373 322 T CA -0.481 61.713 62.100 0.157 0.000 1.000 322 T CB 1.794 70.809 68.868 0.246 0.000 1.483 322 T HN 0.685 nan 8.240 nan 0.000 0.499 323 G N 0.703 109.522 108.800 0.032 0.000 2.704 323 G HA2 0.691 4.643 3.960 -0.013 0.000 0.293 323 G HA3 0.691 4.643 3.960 -0.013 0.000 0.293 323 G C -1.496 173.160 174.900 -0.407 0.000 1.421 323 G CA -0.605 44.383 45.100 -0.186 0.000 0.870 323 G HN 1.038 nan 8.290 nan 0.000 0.492 324 I N -1.580 118.561 120.570 -0.715 0.000 2.689 324 I HA 0.629 4.791 4.170 -0.013 0.000 0.299 324 I C -1.496 173.979 176.117 -1.070 0.000 1.059 324 I CA -1.164 59.337 61.300 -1.331 0.000 1.055 324 I CB 2.798 40.142 38.000 -1.093 0.000 1.243 324 I HN 0.141 nan 8.210 nan 0.000 0.425 325 D N 4.416 124.014 120.400 -1.336 0.000 2.280 325 D HA 0.320 4.952 4.640 -0.013 0.000 0.243 325 D C 0.287 176.266 176.300 -0.534 0.000 1.129 325 D CA 0.106 53.733 54.000 -0.621 0.000 0.848 325 D CB 2.034 42.674 40.800 -0.267 0.000 1.107 325 D HN 0.800 nan 8.370 nan 0.000 0.471 326 T N 0.000 114.313 114.554 -0.401 0.000 3.816 326 T HA 0.000 4.342 4.350 -0.013 0.000 0.228 326 T CA 0.000 61.902 62.100 -0.330 0.000 1.349 326 T CB 0.000 68.673 68.868 -0.325 0.000 0.612 326 T HN 0.000 nan 8.240 nan 0.000 0.658