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 2msb_1_B DATA FIRST_RESID 109 DATA SEQUENCE KKFFVTNHER MPFSKVKALc SELRGTVAIP RNAEENKAIQ EVAKTSAFLG DATA SEQUENCE ITDEVTEGQF MYVTGGRLTY SNWKKDEPND HGSGEDcVTI VDNGLWNDIS DATA SEQUENCE cQASHTAVcE FPA 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 109 K HA 0.000 nan 4.320 nan 0.000 0.191 109 K C 0.000 176.398 176.600 -0.337 0.000 0.988 109 K CA 0.000 56.132 56.287 -0.259 0.000 0.838 109 K CB 0.000 32.404 32.500 -0.159 0.000 1.064 110 K N -0.462 119.633 120.400 -0.508 0.000 2.502 110 K HA 0.800 5.108 4.320 -0.019 0.000 0.257 110 K C -1.692 174.414 176.600 -0.823 0.000 0.938 110 K CA -0.900 55.034 56.287 -0.588 0.000 0.819 110 K CB 2.081 34.197 32.500 -0.640 0.000 1.333 110 K HN 0.054 nan 8.250 nan 0.000 0.434 111 F N 1.470 121.183 119.950 -0.394 0.000 2.508 111 F HA 0.532 5.049 4.527 -0.017 0.000 0.325 111 F C -0.539 175.052 175.800 -0.348 0.000 1.090 111 F CA -0.684 57.160 58.000 -0.260 0.000 0.945 111 F CB 1.088 40.055 39.000 -0.055 0.000 1.156 111 F HN 0.278 nan 8.300 nan 0.000 0.463 112 F N 2.352 122.479 119.950 0.295 0.000 2.493 112 F HA 0.699 5.240 4.527 0.024 0.000 0.329 112 F C -0.227 175.684 175.800 0.186 0.000 1.126 112 F CA -1.216 56.903 58.000 0.198 0.000 0.937 112 F CB 1.754 40.820 39.000 0.109 0.000 1.146 112 F HN 0.282 nan 8.300 nan 0.000 0.442 113 V N -0.427 119.705 119.914 0.363 0.000 3.040 113 V HA 0.955 5.064 4.120 -0.019 0.000 0.312 113 V C -0.795 175.381 176.094 0.136 0.000 1.115 113 V CA -0.513 61.916 62.300 0.216 0.000 0.998 113 V CB 1.783 33.728 31.823 0.204 0.000 1.042 113 V HN 0.775 nan 8.190 nan 0.000 0.433 114 T N 1.160 115.719 114.554 0.009 0.000 2.894 114 T HA 0.479 4.818 4.350 -0.019 0.000 0.309 114 T C -0.244 174.343 174.700 -0.188 0.000 1.208 114 T CA 0.097 62.153 62.100 -0.073 0.000 1.016 114 T CB 1.717 70.502 68.868 -0.137 0.000 1.192 114 T HN 1.171 nan 8.240 nan 0.000 0.491 115 N N 1.377 120.004 118.700 -0.122 0.000 2.203 115 N HA 0.162 4.891 4.740 -0.019 0.000 0.207 115 N C 0.538 176.030 175.510 -0.030 0.000 1.130 115 N CA 0.157 53.153 53.050 -0.090 0.000 0.861 115 N CB -0.618 37.870 38.487 0.002 0.000 1.005 115 N HN 0.965 nan 8.380 nan 0.000 0.507 116 H N -1.844 117.257 119.070 0.051 0.000 3.906 116 H HA -0.179 4.364 4.556 -0.022 0.000 0.179 116 H C -0.686 174.665 175.328 0.037 0.000 0.941 116 H CA 1.399 57.472 56.048 0.041 0.000 1.232 116 H CB -1.383 28.398 29.762 0.031 0.000 1.037 116 H HN 0.403 nan 8.280 nan 0.000 0.362 117 E N 1.397 121.678 120.200 0.135 0.000 2.383 117 E HA 0.267 4.606 4.350 -0.019 0.000 0.264 117 E C 0.148 176.803 176.600 0.091 0.000 1.050 117 E CA -0.185 56.273 56.400 0.098 0.000 0.896 117 E CB 0.731 30.475 29.700 0.074 0.000 0.982 117 E HN 0.210 nan 8.360 nan 0.000 0.424 118 R N 3.153 123.693 120.500 0.068 0.000 2.346 118 R HA 0.567 4.896 4.340 -0.019 0.000 0.311 118 R C -0.083 176.265 176.300 0.080 0.000 0.983 118 R CA -0.350 55.785 56.100 0.058 0.000 0.880 118 R CB 0.892 31.186 30.300 -0.009 0.000 1.100 118 R HN 0.555 nan 8.270 nan 0.000 0.453 119 M N 0.037 119.727 119.600 0.148 0.000 2.833 119 M HA 0.531 4.999 4.480 -0.019 0.000 0.270 119 M C -3.005 173.478 176.300 0.305 0.000 1.209 119 M CA -2.551 52.847 55.300 0.164 0.000 0.826 119 M CB 2.222 34.893 32.600 0.119 0.000 1.657 119 M HN 0.139 nan 8.290 nan 0.000 0.492 120 P HA 0.155 nan 4.420 nan 0.000 0.272 120 P C -0.001 177.369 177.300 0.118 0.000 1.230 120 P CA -0.276 62.982 63.100 0.262 0.000 0.788 120 P CB 0.321 32.105 31.700 0.140 0.000 0.949 121 F N 2.244 121.959 119.950 -0.392 0.000 2.154 121 F HA -0.263 4.249 4.527 -0.024 0.000 0.301 121 F C 2.163 177.793 175.800 -0.283 0.000 1.087 121 F CA 2.477 60.059 58.000 -0.696 0.000 1.274 121 F CB -0.906 37.535 39.000 -0.933 0.000 1.009 121 F HN 0.285 nan 8.300 nan 0.000 0.485 122 S N -0.428 115.165 115.700 -0.179 0.000 2.382 122 S HA -0.241 4.218 4.470 -0.019 0.000 0.228 122 S C 2.018 176.496 174.600 -0.203 0.000 1.027 122 S CA 1.362 59.435 58.200 -0.210 0.000 0.991 122 S CB -0.680 62.476 63.200 -0.073 0.000 0.823 122 S HN 0.483 nan 8.310 nan 0.000 0.469 123 K N 0.689 121.020 120.400 -0.115 0.000 2.148 123 K HA 0.065 4.374 4.320 -0.019 0.000 0.204 123 K C 2.115 178.658 176.600 -0.097 0.000 1.050 123 K CA 1.136 57.381 56.287 -0.070 0.000 0.942 123 K CB -0.424 32.075 32.500 -0.003 0.000 0.724 123 K HN 0.270 nan 8.250 nan 0.000 0.446 124 V N 1.877 121.710 119.914 -0.135 0.000 2.295 124 V HA -0.262 3.846 4.120 -0.019 0.000 0.246 124 V C 2.102 178.057 176.094 -0.231 0.000 1.049 124 V CA 1.691 63.917 62.300 -0.123 0.000 1.024 124 V CB -0.368 31.424 31.823 -0.052 0.000 0.648 124 V HN 0.283 nan 8.190 nan 0.000 0.447 125 K N 0.143 120.279 120.400 -0.441 0.000 2.032 125 K HA -0.198 4.111 4.320 -0.019 0.000 0.209 125 K C 2.330 178.806 176.600 -0.207 0.000 1.048 125 K CA 1.631 57.688 56.287 -0.383 0.000 0.927 125 K CB -0.472 31.734 32.500 -0.490 0.000 0.712 125 K HN 0.480 nan 8.250 nan 0.000 0.441 126 A N 1.513 124.230 122.820 -0.171 0.000 1.877 126 A HA -0.180 4.129 4.320 -0.019 0.000 0.216 126 A C 2.127 179.670 177.584 -0.069 0.000 1.186 126 A CA 1.342 53.319 52.037 -0.100 0.000 0.620 126 A CB -0.620 18.332 19.000 -0.079 0.000 0.822 126 A HN 0.276 nan 8.150 nan 0.000 0.443 127 L N 0.010 121.197 121.223 -0.061 0.000 1.989 127 L HA -0.199 4.130 4.340 -0.019 0.000 0.211 127 L C 2.476 179.333 176.870 -0.023 0.000 1.071 127 L CA 2.531 57.356 54.840 -0.026 0.000 0.749 127 L CB -0.992 41.062 42.059 -0.007 0.000 0.890 127 L HN 0.461 nan 8.230 nan 0.000 0.431 128 c N -0.194 118.374 118.600 -0.053 0.000 2.425 128 c HA -0.133 4.426 4.570 -0.019 0.000 0.277 128 c C 3.111 177.154 174.090 -0.078 0.000 1.280 128 c CA 1.074 57.357 56.329 -0.076 0.000 1.744 128 c CB -1.517 40.922 42.510 -0.120 0.000 1.989 128 c HN 0.821 nan 8.230 nan 0.000 0.491 129 S N 0.769 116.425 115.700 -0.073 0.000 2.402 129 S HA -0.205 4.254 4.470 -0.019 0.000 0.229 129 S C 1.658 176.247 174.600 -0.019 0.000 1.021 129 S CA 1.462 59.629 58.200 -0.054 0.000 0.974 129 S CB -0.572 62.593 63.200 -0.058 0.000 0.800 129 S HN 0.756 nan 8.310 nan 0.000 0.484 130 E N 1.001 121.195 120.200 -0.010 0.000 2.204 130 E HA 0.032 4.371 4.350 -0.019 0.000 0.194 130 E C 1.581 178.206 176.600 0.042 0.000 0.989 130 E CA 0.765 57.171 56.400 0.011 0.000 0.824 130 E CB -0.159 29.545 29.700 0.007 0.000 0.756 130 E HN 0.574 nan 8.360 nan 0.000 0.477 131 L N -0.101 121.163 121.223 0.070 0.000 2.591 131 L HA 0.161 4.490 4.340 -0.019 0.000 0.228 131 L C 0.433 177.440 176.870 0.228 0.000 1.133 131 L CA 0.125 55.064 54.840 0.164 0.000 0.880 131 L CB -0.076 42.144 42.059 0.268 0.000 1.033 131 L HN 0.096 nan 8.230 nan 0.000 0.450 132 R N -0.213 120.349 120.500 0.104 0.000 3.532 132 R HA -0.138 4.191 4.340 -0.019 0.000 0.284 132 R C 0.395 176.711 176.300 0.026 0.000 1.140 132 R CA 0.344 56.492 56.100 0.081 0.000 0.768 132 R CB -2.300 28.066 30.300 0.110 0.000 1.252 132 R HN 0.515 nan 8.270 nan 0.000 0.454 133 G N -0.524 108.154 108.800 -0.203 0.000 3.209 133 G HA2 0.750 4.698 3.960 -0.019 0.000 0.236 133 G HA3 0.750 4.698 3.960 -0.019 0.000 0.236 133 G C -0.194 174.497 174.900 -0.348 0.000 1.329 133 G CA 0.248 44.977 45.100 -0.618 0.000 1.015 133 G HN 0.154 nan 8.290 nan 0.000 0.571 134 T N -3.157 111.186 114.554 -0.350 0.000 2.887 134 T HA 0.607 4.946 4.350 -0.019 0.000 0.292 134 T C -0.457 174.165 174.700 -0.130 0.000 1.087 134 T CA -0.638 61.357 62.100 -0.176 0.000 1.009 134 T CB 1.422 70.222 68.868 -0.112 0.000 1.203 134 T HN 0.492 nan 8.240 nan 0.000 0.518 135 V N 1.733 121.613 119.914 -0.056 0.000 2.637 135 V HA 0.474 4.583 4.120 -0.019 0.000 0.296 135 V C 1.316 177.449 176.094 0.065 0.000 1.046 135 V CA -0.510 61.798 62.300 0.014 0.000 1.066 135 V CB 0.147 32.010 31.823 0.066 0.000 0.968 135 V HN 1.252 nan 8.190 nan 0.000 0.483 136 A N 6.804 129.686 122.820 0.104 0.000 2.584 136 A HA 0.345 4.654 4.320 -0.019 0.000 0.239 136 A C -0.163 177.473 177.584 0.086 0.000 1.043 136 A CA 0.499 52.632 52.037 0.160 0.000 0.756 136 A CB -0.414 18.637 19.000 0.085 0.000 0.963 136 A HN 0.743 nan 8.150 nan 0.000 0.511 137 I N 5.248 125.898 120.570 0.133 0.000 2.500 137 I HA 0.299 4.457 4.170 -0.019 0.000 0.286 137 I C -2.437 173.745 176.117 0.109 0.000 1.063 137 I CA -2.028 59.313 61.300 0.069 0.000 1.062 137 I CB 2.779 40.779 38.000 -0.001 0.000 1.223 137 I HN 0.462 nan 8.210 nan 0.000 0.435 138 P HA 0.294 nan 4.420 nan 0.000 0.293 138 P C -0.263 177.155 177.300 0.197 0.000 1.313 138 P CA -0.576 62.611 63.100 0.146 0.000 0.787 138 P CB 1.301 33.113 31.700 0.188 0.000 0.910 139 R N 2.441 122.964 120.500 0.038 0.000 2.317 139 R HA 0.166 4.495 4.340 -0.019 0.000 0.208 139 R C 0.329 176.500 176.300 -0.217 0.000 0.914 139 R CA 0.251 56.355 56.100 0.007 0.000 1.060 139 R CB -0.578 29.703 30.300 -0.032 0.000 1.015 139 R HN 0.682 nan 8.270 nan 0.000 0.498 140 N N -3.265 115.073 118.700 -0.603 0.000 3.227 140 N HA 0.182 4.910 4.740 -0.019 0.000 0.241 140 N C 0.064 174.933 175.510 -1.068 0.000 1.480 140 N CA -0.092 52.335 53.050 -1.038 0.000 0.886 140 N CB 0.136 38.382 38.487 -0.401 0.000 1.406 140 N HN -0.218 nan 8.380 nan 0.000 0.514 141 A N -0.374 122.008 122.820 -0.730 0.000 1.978 141 A HA -0.133 4.176 4.320 -0.019 0.000 0.220 141 A C 1.497 179.003 177.584 -0.130 0.000 1.170 141 A CA 1.835 53.728 52.037 -0.240 0.000 0.636 141 A CB -0.906 18.062 19.000 -0.053 0.000 0.810 141 A HN 0.739 nan 8.150 nan 0.000 0.448 142 E N 0.232 120.351 120.200 -0.135 0.000 2.028 142 E HA -0.135 4.204 4.350 -0.019 0.000 0.191 142 E C 1.948 178.534 176.600 -0.024 0.000 0.988 142 E CA 1.512 57.878 56.400 -0.057 0.000 0.799 142 E CB -0.336 29.335 29.700 -0.048 0.000 0.755 142 E HN 0.739 nan 8.360 nan 0.000 0.447 143 E N 0.265 120.448 120.200 -0.029 0.000 2.110 143 E HA -0.207 4.132 4.350 -0.019 0.000 0.193 143 E C 1.885 178.443 176.600 -0.070 0.000 0.988 143 E CA 1.019 57.458 56.400 0.065 0.000 0.804 143 E CB -0.168 29.605 29.700 0.122 0.000 0.745 143 E HN 0.148 nan 8.360 nan 0.000 0.458 144 N N 1.105 119.776 118.700 -0.048 0.000 2.084 144 N HA -0.206 4.523 4.740 -0.019 0.000 0.190 144 N C 1.688 177.189 175.510 -0.015 0.000 1.030 144 N CA 1.429 54.498 53.050 0.032 0.000 0.849 144 N CB 0.023 38.630 38.487 0.200 0.000 1.012 144 N HN -0.119 nan 8.380 nan 0.000 0.423 145 K N 0.549 120.945 120.400 -0.007 0.000 2.057 145 K HA 0.064 4.373 4.320 -0.019 0.000 0.207 145 K C 1.725 178.315 176.600 -0.016 0.000 1.049 145 K CA 1.450 57.736 56.287 -0.001 0.000 0.931 145 K CB -0.795 31.710 32.500 0.008 0.000 0.714 145 K HN 0.229 nan 8.250 nan 0.000 0.440 146 A N 0.794 123.603 122.820 -0.019 0.000 1.883 146 A HA -0.128 4.181 4.320 -0.019 0.000 0.217 146 A C 2.288 179.810 177.584 -0.104 0.000 1.186 146 A CA 1.858 53.907 52.037 0.020 0.000 0.624 146 A CB -0.706 18.404 19.000 0.183 0.000 0.822 146 A HN 0.363 nan 8.150 nan 0.000 0.444 147 I N -0.773 119.582 120.570 -0.359 0.000 2.179 147 I HA -0.301 3.858 4.170 -0.019 0.000 0.242 147 I C 2.828 178.855 176.117 -0.150 0.000 1.088 147 I CA 1.795 62.844 61.300 -0.418 0.000 1.357 147 I CB -0.444 37.239 38.000 -0.528 0.000 1.051 147 I HN 0.543 nan 8.210 nan 0.000 0.409 148 Q N 0.977 120.723 119.800 -0.090 0.000 2.096 148 Q HA -0.249 4.080 4.340 -0.019 0.000 0.204 148 Q C 2.109 178.110 176.000 0.001 0.000 0.982 148 Q CA 1.593 57.380 55.803 -0.026 0.000 0.850 148 Q CB 0.058 28.796 28.738 -0.001 0.000 0.901 148 Q HN 0.433 nan 8.270 nan 0.000 0.422 149 E N -0.301 119.904 120.200 0.009 0.000 2.077 149 E HA -0.150 4.189 4.350 -0.019 0.000 0.193 149 E C 2.141 178.776 176.600 0.059 0.000 0.989 149 E CA 1.271 57.693 56.400 0.037 0.000 0.800 149 E CB -0.083 29.645 29.700 0.046 0.000 0.746 149 E HN 0.264 nan 8.360 nan 0.000 0.452 150 V N 1.367 121.317 119.914 0.059 0.000 2.323 150 V HA -0.202 3.907 4.120 -0.019 0.000 0.244 150 V C 2.430 178.582 176.094 0.096 0.000 1.041 150 V CA 1.765 64.118 62.300 0.088 0.000 1.025 150 V CB -0.765 31.122 31.823 0.108 0.000 0.656 150 V HN 0.239 nan 8.190 nan 0.000 0.451 151 A N -1.518 121.339 122.820 0.063 0.000 1.898 151 A HA -0.185 4.124 4.320 -0.019 0.000 0.216 151 A C 1.804 179.454 177.584 0.109 0.000 1.181 151 A CA 1.957 54.045 52.037 0.085 0.000 0.620 151 A CB -0.246 18.776 19.000 0.038 0.000 0.819 151 A HN 0.551 nan 8.150 nan 0.000 0.442 152 K N -2.614 117.828 120.400 0.069 0.000 3.571 152 K HA -0.197 4.112 4.320 -0.019 0.000 0.275 152 K C 0.557 177.178 176.600 0.034 0.000 1.034 152 K CA 1.703 58.021 56.287 0.052 0.000 1.116 152 K CB -1.878 30.656 32.500 0.056 0.000 1.386 152 K HN 0.609 nan 8.250 nan 0.000 0.466 153 T N -0.334 114.244 114.554 0.040 0.000 2.716 153 T HA 0.400 4.739 4.350 -0.019 0.000 0.286 153 T C -0.983 173.734 174.700 0.029 0.000 1.052 153 T CA 0.039 62.156 62.100 0.028 0.000 1.024 153 T CB 1.637 70.519 68.868 0.023 0.000 1.349 153 T HN 0.241 nan 8.240 nan 0.000 0.525 154 S N 0.920 116.644 115.700 0.039 0.000 2.552 154 S HA 0.550 5.009 4.470 -0.019 0.000 0.289 154 S C -0.016 174.601 174.600 0.029 0.000 1.304 154 S CA -0.332 57.894 58.200 0.043 0.000 1.063 154 S CB 0.034 63.324 63.200 0.149 0.000 0.848 154 S HN 1.124 nan 8.310 nan 0.000 0.499 155 A N 2.433 125.207 122.820 -0.077 0.000 2.475 155 A HA 0.730 5.039 4.320 -0.019 0.000 0.301 155 A C -0.761 176.730 177.584 -0.156 0.000 1.059 155 A CA -0.868 51.129 52.037 -0.065 0.000 0.710 155 A CB 0.698 19.692 19.000 -0.011 0.000 1.288 155 A HN 0.664 nan 8.150 nan 0.000 0.408 156 F N 0.722 120.687 119.950 0.026 0.000 2.418 156 F HA 0.501 5.015 4.527 -0.021 0.000 0.341 156 F C 0.518 176.283 175.800 -0.059 0.000 1.120 156 F CA 0.151 58.138 58.000 -0.021 0.000 1.232 156 F CB 0.778 39.903 39.000 0.208 0.000 1.175 156 F HN 0.360 nan 8.300 nan 0.000 0.569 157 L N 1.129 122.389 121.223 0.062 0.000 2.330 157 L HA 0.492 4.821 4.340 -0.019 0.000 0.271 157 L C 0.801 177.711 176.870 0.065 0.000 1.013 157 L CA -1.020 53.774 54.840 -0.077 0.000 0.816 157 L CB 1.644 43.438 42.059 -0.441 0.000 1.287 157 L HN 0.719 nan 8.230 nan 0.000 0.435 158 G N 3.035 111.909 108.800 0.124 0.000 3.197 158 G HA2 0.432 4.380 3.960 -0.019 0.000 0.257 158 G HA3 0.432 4.380 3.960 -0.019 0.000 0.257 158 G C -0.215 174.809 174.900 0.207 0.000 0.835 158 G CA 0.117 45.364 45.100 0.244 0.000 2.001 158 G HN 0.343 nan 8.290 nan 0.000 0.625 159 I N 0.841 121.453 120.570 0.070 0.000 2.607 159 I HA 0.478 4.637 4.170 -0.019 0.000 0.290 159 I C -0.258 175.895 176.117 0.060 0.000 1.129 159 I CA -0.679 60.666 61.300 0.074 0.000 1.042 159 I CB 2.792 40.763 38.000 -0.049 0.000 1.242 159 I HN 0.256 nan 8.210 nan 0.000 0.421 160 T N 0.148 114.795 114.554 0.155 0.000 2.821 160 T HA 0.394 4.732 4.350 -0.019 0.000 0.306 160 T C -1.106 173.570 174.700 -0.040 0.000 1.313 160 T CA -0.717 61.444 62.100 0.102 0.000 1.012 160 T CB 2.134 70.974 68.868 -0.047 0.000 1.298 160 T HN 0.639 nan 8.240 nan 0.000 0.502 161 D N -0.388 119.818 120.400 -0.324 0.000 2.788 161 D HA 0.190 4.819 4.640 -0.019 0.000 0.289 161 D C 0.612 176.745 176.300 -0.279 0.000 1.340 161 D CA -0.445 53.221 54.000 -0.557 0.000 0.831 161 D CB 0.177 40.218 40.800 -1.265 0.000 1.103 161 D HN 0.774 nan 8.370 nan 0.000 0.476 162 E N -0.102 120.011 120.200 -0.144 0.000 2.150 162 E HA -0.092 4.247 4.350 -0.019 0.000 0.193 162 E C 1.840 178.398 176.600 -0.071 0.000 0.985 162 E CA 0.771 57.123 56.400 -0.080 0.000 0.814 162 E CB 0.344 30.029 29.700 -0.025 0.000 0.752 162 E HN 0.135 nan 8.360 nan 0.000 0.466 163 V N 0.467 120.338 119.914 -0.072 0.000 2.283 163 V HA -0.095 4.014 4.120 -0.019 0.000 0.243 163 V C 0.963 177.016 176.094 -0.068 0.000 1.039 163 V CA 1.338 63.605 62.300 -0.054 0.000 1.016 163 V CB 0.077 31.878 31.823 -0.037 0.000 0.650 163 V HN 0.146 nan 8.190 nan 0.000 0.449 164 T N 0.293 114.788 114.554 -0.099 0.000 2.890 164 T HA 0.318 4.657 4.350 -0.019 0.000 0.295 164 T C -0.691 173.916 174.700 -0.154 0.000 0.993 164 T CA -0.387 61.654 62.100 -0.099 0.000 0.979 164 T CB 1.759 70.582 68.868 -0.076 0.000 0.967 164 T HN 0.320 nan 8.240 nan 0.000 0.441 165 E N 1.901 122.017 120.200 -0.141 0.000 2.558 165 E HA 0.308 4.647 4.350 -0.019 0.000 0.255 165 E C 1.410 177.895 176.600 -0.192 0.000 0.968 165 E CA 1.730 58.025 56.400 -0.175 0.000 0.939 165 E CB -0.340 29.292 29.700 -0.112 0.000 0.921 165 E HN 0.925 nan 8.360 nan 0.000 0.477 166 G N 4.092 112.714 108.800 -0.297 0.000 2.217 166 G HA2 -0.253 3.696 3.960 -0.019 0.000 0.246 166 G HA3 -0.253 3.696 3.960 -0.019 0.000 0.246 166 G C -0.176 174.601 174.900 -0.205 0.000 0.990 166 G CA 0.284 45.256 45.100 -0.213 0.000 0.627 166 G HN 0.524 nan 8.290 nan 0.000 0.522 167 Q N 0.519 120.159 119.800 -0.265 0.000 2.465 167 Q HA 0.541 4.869 4.340 -0.019 0.000 0.237 167 Q C -0.450 175.414 176.000 -0.226 0.000 1.051 167 Q CA -0.426 55.291 55.803 -0.143 0.000 0.874 167 Q CB 0.262 28.947 28.738 -0.089 0.000 1.207 167 Q HN 0.353 nan 8.270 nan 0.000 0.508 168 F N 2.832 122.796 119.950 0.024 0.000 2.495 168 F HA 0.240 4.760 4.527 -0.012 0.000 0.365 168 F C 0.688 176.442 175.800 -0.078 0.000 1.090 168 F CA 0.338 58.352 58.000 0.022 0.000 1.235 168 F CB 0.567 39.656 39.000 0.148 0.000 1.119 168 F HN 0.222 nan 8.300 nan 0.000 0.562 169 M N 3.373 122.992 119.600 0.032 0.000 2.572 169 M HA 0.331 4.800 4.480 -0.019 0.000 0.299 169 M C -1.026 175.255 176.300 -0.033 0.000 1.205 169 M CA -1.027 54.232 55.300 -0.069 0.000 0.876 169 M CB 1.728 34.325 32.600 -0.004 0.000 1.728 169 M HN 0.324 nan 8.290 nan 0.000 0.458 170 Y N 0.285 120.658 120.300 0.121 0.000 2.346 170 Y HA 0.164 4.702 4.550 -0.020 0.000 0.330 170 Y C 1.702 177.656 175.900 0.090 0.000 1.178 170 Y CA -0.388 57.773 58.100 0.102 0.000 1.331 170 Y CB 0.226 38.740 38.460 0.090 0.000 1.253 170 Y HN 0.532 nan 8.280 nan 0.000 0.529 171 V N -1.074 119.001 119.914 0.268 0.000 2.720 171 V HA -0.198 3.911 4.120 -0.019 0.000 0.256 171 V C 1.277 177.449 176.094 0.130 0.000 1.082 171 V CA 2.111 64.520 62.300 0.182 0.000 1.101 171 V CB -1.431 30.504 31.823 0.187 0.000 0.693 171 V HN 0.938 nan 8.190 nan 0.000 0.479 172 T N -2.497 112.142 114.554 0.142 0.000 3.081 172 T HA 0.540 4.879 4.350 -0.019 0.000 0.250 172 T C 0.998 175.762 174.700 0.106 0.000 1.100 172 T CA 0.506 62.658 62.100 0.085 0.000 1.038 172 T CB -0.066 68.823 68.868 0.037 0.000 0.962 172 T HN 1.792 nan 8.240 nan 0.000 0.516 173 G N -0.661 108.240 108.800 0.169 0.000 2.592 173 G HA2 0.475 4.424 3.960 -0.019 0.000 0.685 173 G HA3 0.475 4.424 3.960 -0.019 0.000 0.685 173 G C -0.081 174.965 174.900 0.242 0.000 1.278 173 G CA -0.528 44.666 45.100 0.158 0.000 0.822 173 G HN 1.732 nan 8.290 nan 0.000 0.652 174 G N 0.091 109.000 108.800 0.181 0.000 2.675 174 G HA2 0.313 4.262 3.960 -0.019 0.000 0.686 174 G HA3 0.313 4.262 3.960 -0.019 0.000 0.686 174 G C -0.182 174.780 174.900 0.104 0.000 1.215 174 G CA 0.066 45.284 45.100 0.197 0.000 0.777 174 G HN 1.084 nan 8.290 nan 0.000 0.638 175 R N -0.161 120.371 120.500 0.053 0.000 2.539 175 R HA 0.449 4.778 4.340 -0.019 0.000 0.275 175 R C 0.811 177.021 176.300 -0.151 0.000 1.077 175 R CA -0.797 55.281 56.100 -0.037 0.000 1.097 175 R CB 0.914 31.228 30.300 0.023 0.000 1.018 175 R HN 0.648 nan 8.270 nan 0.000 0.483 176 L N 2.457 123.519 121.223 -0.268 0.000 2.540 176 L HA -0.068 4.261 4.340 -0.019 0.000 0.276 176 L C 0.997 177.890 176.870 0.038 0.000 1.212 176 L CA 1.085 55.735 54.840 -0.317 0.000 0.893 176 L CB 0.825 42.854 42.059 -0.050 0.000 1.138 176 L HN 0.874 nan 8.230 nan 0.000 0.491 177 T N 2.305 116.998 114.554 0.232 0.000 3.608 177 T HA 0.112 4.450 4.350 -0.019 0.000 0.213 177 T C 0.395 175.220 174.700 0.207 0.000 0.897 177 T CA 0.141 62.380 62.100 0.233 0.000 1.533 177 T CB -0.747 68.287 68.868 0.276 0.000 1.504 177 T HN 0.406 nan 8.240 nan 0.000 0.446 178 Y N 3.654 124.049 120.300 0.157 0.000 2.497 178 Y HA 0.429 4.973 4.550 -0.010 0.000 0.334 178 Y C -0.006 175.864 175.900 -0.050 0.000 1.199 178 Y CA -0.193 57.935 58.100 0.047 0.000 1.425 178 Y CB 0.394 38.893 38.460 0.065 0.000 1.291 178 Y HN 0.706 nan 8.280 nan 0.000 0.562 179 S N 3.546 118.511 115.700 -1.224 0.000 2.579 179 S HA 0.406 4.865 4.470 -0.019 0.000 0.272 179 S C -1.197 172.197 174.600 -2.011 0.000 1.141 179 S CA -1.066 56.117 58.200 -1.695 0.000 0.843 179 S CB 1.756 64.404 63.200 -0.920 0.000 1.122 179 S HN 0.711 nan 8.310 nan 0.000 0.468 180 N N 0.228 117.368 118.700 -2.600 0.000 2.646 180 N HA 0.308 5.037 4.740 -0.019 0.000 0.296 180 N C -1.696 173.112 175.510 -1.170 0.000 1.886 180 N CA -0.505 51.587 53.050 -1.598 0.000 0.855 180 N CB 0.120 37.829 38.487 -1.297 0.000 1.336 180 N HN 0.726 nan 8.380 nan 0.000 0.496 181 W N 1.766 122.658 121.300 -0.680 0.000 2.193 181 W HA 0.131 4.794 4.660 0.004 0.000 0.338 181 W C 1.231 177.634 176.519 -0.193 0.000 1.310 181 W CA -0.410 56.761 57.345 -0.291 0.000 1.243 181 W CB 0.596 29.930 29.460 -0.210 0.000 1.165 181 W HN 0.040 nan 8.180 nan 0.000 0.566 182 K N 3.373 123.899 120.400 0.209 0.000 2.258 182 K HA 0.045 4.354 4.320 -0.019 0.000 0.264 182 K C 0.355 177.007 176.600 0.086 0.000 1.007 182 K CA -0.716 55.632 56.287 0.101 0.000 0.941 182 K CB 0.494 33.058 32.500 0.108 0.000 0.966 182 K HN 0.141 nan 8.250 nan 0.000 0.480 183 K N 2.932 123.353 120.400 0.036 0.000 2.511 183 K HA -0.093 4.215 4.320 -0.019 0.000 0.280 183 K C -0.428 176.176 176.600 0.006 0.000 1.008 183 K CA 0.826 57.122 56.287 0.014 0.000 1.050 183 K CB 0.039 32.540 32.500 0.003 0.000 0.889 183 K HN 0.809 nan 8.250 nan 0.000 0.484 184 D N 0.739 121.128 120.400 -0.018 0.000 3.090 184 D HA -0.139 4.490 4.640 -0.019 0.000 0.215 184 D C -0.320 175.944 176.300 -0.061 0.000 1.140 184 D CA 1.247 55.226 54.000 -0.036 0.000 0.937 184 D CB -0.325 40.466 40.800 -0.015 0.000 1.108 184 D HN 0.513 nan 8.370 nan 0.000 0.420 185 E N 0.036 120.187 120.200 -0.081 0.000 2.277 185 E HA 0.472 4.811 4.350 -0.019 0.000 0.266 185 E C -2.255 174.018 176.600 -0.544 0.000 0.901 185 E CA -1.603 54.696 56.400 -0.168 0.000 0.782 185 E CB 1.920 31.656 29.700 0.059 0.000 1.228 185 E HN 0.014 nan 8.360 nan 0.000 0.424 186 P HA 0.157 nan 4.420 nan 0.000 0.277 186 P C -0.029 177.108 177.300 -0.271 0.000 1.240 186 P CA -0.205 62.487 63.100 -0.680 0.000 0.798 186 P CB 0.823 31.944 31.700 -0.965 0.000 0.979 187 N N 0.152 118.792 118.700 -0.101 0.000 2.143 187 N HA -0.013 4.716 4.740 -0.019 0.000 0.222 187 N C 0.115 175.635 175.510 0.018 0.000 1.264 187 N CA -0.108 52.925 53.050 -0.029 0.000 0.897 187 N CB -0.798 37.701 38.487 0.019 0.000 1.092 187 N HN 0.284 nan 8.380 nan 0.000 0.516 188 D N 0.918 121.343 120.400 0.042 0.000 2.701 188 D HA -0.284 4.345 4.640 -0.019 0.000 0.235 188 D C -0.392 175.940 176.300 0.053 0.000 1.155 188 D CA 0.652 54.681 54.000 0.049 0.000 0.649 188 D CB -1.567 39.235 40.800 0.003 0.000 1.050 188 D HN 0.531 nan 8.370 nan 0.000 0.425 189 H N -0.233 118.842 119.070 0.008 0.000 2.929 189 H HA 0.335 4.880 4.556 -0.018 0.000 0.358 189 H C 1.660 176.997 175.328 0.014 0.000 1.111 189 H CA 1.973 58.027 56.048 0.009 0.000 1.409 189 H CB 0.266 30.036 29.762 0.014 0.000 1.373 189 H HN 0.498 nan 8.280 nan 0.000 0.610 190 G N 2.602 111.024 108.800 -0.630 0.000 2.611 190 G HA2 -0.392 3.556 3.960 -0.019 0.000 0.301 190 G HA3 -0.392 3.556 3.960 -0.019 0.000 0.301 190 G C 1.128 175.975 174.900 -0.089 0.000 1.233 190 G CA 1.580 46.532 45.100 -0.248 0.000 0.993 190 G HN 0.987 nan 8.290 nan 0.000 0.553 191 S N 0.814 116.512 115.700 -0.004 0.000 2.603 191 S HA 0.453 4.912 4.470 -0.019 0.000 0.229 191 S C 1.348 175.953 174.600 0.009 0.000 0.972 191 S CA 1.077 59.278 58.200 0.001 0.000 0.935 191 S CB -0.222 62.990 63.200 0.020 0.000 0.769 191 S HN 2.699 nan 8.310 nan 0.000 0.536 192 G N 0.147 108.960 108.800 0.022 0.000 2.535 192 G HA2 0.185 4.133 3.960 -0.019 0.000 0.662 192 G HA3 0.185 4.133 3.960 -0.019 0.000 0.662 192 G C -1.556 173.381 174.900 0.062 0.000 1.417 192 G CA -1.090 44.026 45.100 0.027 0.000 0.866 192 G HN 0.227 nan 8.290 nan 0.000 0.647 193 E N 0.841 121.082 120.200 0.069 0.000 2.316 193 E HA 0.391 4.730 4.350 -0.019 0.000 0.254 193 E C -0.839 175.822 176.600 0.102 0.000 0.902 193 E CA -0.753 55.708 56.400 0.101 0.000 0.801 193 E CB 1.744 31.521 29.700 0.129 0.000 1.270 193 E HN 0.364 nan 8.360 nan 0.000 0.414 194 D N 0.994 121.438 120.400 0.073 0.000 2.433 194 D HA 0.117 4.746 4.640 -0.019 0.000 0.211 194 D C 0.027 176.363 176.300 0.061 0.000 1.114 194 D CA 0.148 54.172 54.000 0.041 0.000 0.837 194 D CB 0.436 41.216 40.800 -0.032 0.000 0.984 194 D HN 0.235 nan 8.370 nan 0.000 0.505 195 c N 0.097 118.725 118.600 0.047 0.000 2.423 195 c HA 0.727 5.285 4.570 -0.019 0.000 0.378 195 c C 0.093 174.232 174.090 0.082 0.000 1.244 195 c CA -0.611 55.666 56.329 -0.087 0.000 1.978 195 c CB 2.084 44.445 42.510 -0.249 0.000 2.252 195 c HN -0.087 nan 8.230 nan 0.000 0.526 196 V N 1.474 121.377 119.914 -0.019 0.000 2.638 196 V HA 0.658 4.767 4.120 -0.019 0.000 0.306 196 V C -0.099 175.885 176.094 -0.184 0.000 1.052 196 V CA -0.270 61.976 62.300 -0.090 0.000 0.885 196 V CB 2.041 33.681 31.823 -0.304 0.000 0.999 196 V HN 1.053 nan 8.190 nan 0.000 0.424 197 T N 1.871 116.259 114.554 -0.277 0.000 2.887 197 T HA 0.724 5.062 4.350 -0.019 0.000 0.288 197 T C -0.537 173.969 174.700 -0.324 0.000 1.021 197 T CA -0.530 61.327 62.100 -0.404 0.000 1.000 197 T CB 2.097 70.556 68.868 -0.682 0.000 1.034 197 T HN 0.616 nan 8.240 nan 0.000 0.467 198 I N 4.191 124.586 120.570 -0.291 0.000 2.312 198 I HA 0.477 4.636 4.170 -0.019 0.000 0.291 198 I C 0.435 176.514 176.117 -0.064 0.000 1.031 198 I CA -0.734 60.487 61.300 -0.132 0.000 1.293 198 I CB 0.307 38.234 38.000 -0.121 0.000 1.403 198 I HN 0.758 nan 8.210 nan 0.000 0.484 199 V N 4.966 124.881 119.914 0.002 0.000 4.735 199 V HA 0.420 4.529 4.120 -0.019 0.000 0.274 199 V C 0.098 176.205 176.094 0.022 0.000 1.331 199 V CA -0.367 61.934 62.300 0.002 0.000 0.760 199 V CB 0.338 32.167 31.823 0.010 0.000 1.280 199 V HN 0.771 nan 8.190 nan 0.000 0.416 200 D N 0.719 121.132 120.400 0.022 0.000 2.389 200 D HA 0.024 4.653 4.640 -0.019 0.000 0.247 200 D C 0.574 176.888 176.300 0.024 0.000 1.128 200 D CA 0.530 54.542 54.000 0.020 0.000 0.884 200 D CB 0.638 41.447 40.800 0.015 0.000 1.194 200 D HN 0.889 nan 8.370 nan 0.000 0.441 201 N N 1.478 120.190 118.700 0.021 0.000 2.878 201 N HA -0.233 4.496 4.740 -0.019 0.000 0.247 201 N C 1.047 176.574 175.510 0.027 0.000 1.021 201 N CA 1.109 54.170 53.050 0.019 0.000 0.873 201 N CB -1.224 37.271 38.487 0.012 0.000 1.128 201 N HN 0.991 nan 8.380 nan 0.000 0.571 202 G N -0.149 108.677 108.800 0.044 0.000 2.162 202 G HA2 -0.309 3.640 3.960 -0.019 0.000 0.260 202 G HA3 -0.309 3.640 3.960 -0.019 0.000 0.260 202 G C 0.182 175.155 174.900 0.121 0.000 0.976 202 G CA 0.699 45.846 45.100 0.078 0.000 0.655 202 G HN 0.401 nan 8.290 nan 0.000 0.533 203 L N -0.802 120.469 121.223 0.079 0.000 2.466 203 L HA 0.552 4.881 4.340 -0.019 0.000 0.257 203 L C 0.728 177.740 176.870 0.236 0.000 1.189 203 L CA -0.770 54.102 54.840 0.054 0.000 0.813 203 L CB 0.321 42.396 42.059 0.027 0.000 1.118 203 L HN 0.128 nan 8.230 nan 0.000 0.471 204 W N 0.723 121.944 121.300 -0.132 0.000 2.578 204 W HA 0.437 5.061 4.660 -0.060 0.000 0.346 204 W C -0.190 176.369 176.519 0.067 0.000 1.075 204 W CA -0.952 56.290 57.345 -0.171 0.000 1.233 204 W CB 0.804 29.914 29.460 -0.583 0.000 1.358 204 W HN 0.298 nan 8.180 nan 0.000 0.574 205 N N 1.541 120.421 118.700 0.299 0.000 2.336 205 N HA 0.175 4.904 4.740 -0.019 0.000 0.290 205 N C -1.448 174.218 175.510 0.260 0.000 1.058 205 N CA -0.496 52.723 53.050 0.282 0.000 0.865 205 N CB 1.323 39.873 38.487 0.107 0.000 1.581 205 N HN 0.340 nan 8.380 nan 0.000 0.480 206 D N 2.360 122.942 120.400 0.304 0.000 2.302 206 D HA 0.411 5.040 4.640 -0.019 0.000 0.248 206 D C -0.251 176.127 176.300 0.131 0.000 1.094 206 D CA -0.068 54.074 54.000 0.238 0.000 0.897 206 D CB 1.280 42.228 40.800 0.247 0.000 1.200 206 D HN 0.476 nan 8.370 nan 0.000 0.429 207 I N -0.255 120.386 120.570 0.118 0.000 3.195 207 I HA 0.245 4.404 4.170 -0.019 0.000 0.313 207 I C -0.678 175.530 176.117 0.151 0.000 1.237 207 I CA -0.671 60.690 61.300 0.102 0.000 0.963 207 I CB 2.258 40.261 38.000 0.006 0.000 1.278 207 I HN 0.436 nan 8.210 nan 0.000 0.460 208 S N 2.294 118.091 115.700 0.162 0.000 2.549 208 S HA 0.028 4.486 4.470 -0.019 0.000 0.286 208 S C 1.098 175.835 174.600 0.228 0.000 1.314 208 S CA -0.121 58.177 58.200 0.164 0.000 1.062 208 S CB 0.163 63.454 63.200 0.153 0.000 0.865 208 S HN 0.734 nan 8.310 nan 0.000 0.498 209 c N 4.015 122.699 118.600 0.141 0.000 2.472 209 c HA 0.056 4.615 4.570 -0.019 0.000 0.278 209 c C 2.420 176.613 174.090 0.172 0.000 1.447 209 c CA 0.086 56.469 56.329 0.089 0.000 1.773 209 c CB -1.381 41.136 42.510 0.012 0.000 1.793 209 c HN 0.925 nan 8.230 nan 0.000 0.544 210 Q N 0.978 120.887 119.800 0.183 0.000 2.424 210 Q HA 0.327 4.656 4.340 -0.019 0.000 0.204 210 Q C 0.950 177.086 176.000 0.227 0.000 0.933 210 Q CA 0.241 56.145 55.803 0.169 0.000 0.929 210 Q CB -0.176 28.631 28.738 0.115 0.000 1.037 210 Q HN 0.647 nan 8.270 nan 0.000 0.511 211 A N -0.274 122.743 122.820 0.328 0.000 2.366 211 A HA 0.468 4.777 4.320 -0.019 0.000 0.249 211 A C -0.158 177.655 177.584 0.383 0.000 1.084 211 A CA -0.223 52.002 52.037 0.314 0.000 0.794 211 A CB 0.539 19.764 19.000 0.376 0.000 1.034 211 A HN 0.215 nan 8.150 nan 0.000 0.491 212 S N 1.505 117.242 115.700 0.061 0.000 2.429 212 S HA 0.565 5.024 4.470 -0.019 0.000 0.302 212 S C -0.472 173.846 174.600 -0.470 0.000 1.115 212 S CA -0.424 57.776 58.200 -0.001 0.000 1.095 212 S CB 0.158 63.341 63.200 -0.028 0.000 0.987 212 S HN 0.703 nan 8.310 nan 0.000 0.474 213 H N 0.424 119.485 119.070 -0.015 0.000 2.985 213 H HA 0.321 4.866 4.556 -0.019 0.000 0.360 213 H C -0.321 175.001 175.328 -0.010 0.000 1.221 213 H CA -0.685 55.233 56.048 -0.218 0.000 1.121 213 H CB 1.348 30.623 29.762 -0.811 0.000 1.854 213 H HN 0.387 nan 8.280 nan 0.000 0.551 214 T N 1.408 116.012 114.554 0.083 0.000 2.902 214 T HA 0.250 4.589 4.350 -0.019 0.000 0.301 214 T C 0.463 175.262 174.700 0.165 0.000 1.012 214 T CA -0.224 61.944 62.100 0.114 0.000 1.151 214 T CB 0.187 69.112 68.868 0.095 0.000 0.946 214 T HN 0.552 nan 8.240 nan 0.000 0.542 215 A N 3.558 126.472 122.820 0.157 0.000 2.320 215 A HA 0.581 4.890 4.320 -0.019 0.000 0.287 215 A C -0.268 177.381 177.584 0.108 0.000 1.181 215 A CA -0.533 51.597 52.037 0.154 0.000 0.831 215 A CB 0.343 19.412 19.000 0.116 0.000 1.102 215 A HN 0.683 nan 8.150 nan 0.000 0.513 216 V N 2.698 122.680 119.914 0.113 0.000 2.525 216 V HA 0.328 4.437 4.120 -0.019 0.000 0.299 216 V C -0.360 175.805 176.094 0.117 0.000 1.034 216 V CA -0.581 61.783 62.300 0.106 0.000 0.863 216 V CB 1.303 33.169 31.823 0.072 0.000 0.999 216 V HN 1.050 nan 8.190 nan 0.000 0.423 217 c N 3.953 122.630 118.600 0.128 0.000 2.454 217 c HA 0.783 5.342 4.570 -0.019 0.000 0.336 217 c C 0.138 174.264 174.090 0.060 0.000 1.189 217 c CA -0.752 55.592 56.329 0.024 0.000 1.877 217 c CB 1.195 43.664 42.510 -0.067 0.000 2.348 217 c HN 1.020 nan 8.230 nan 0.000 0.508 218 E N 0.755 120.876 120.200 -0.133 0.000 2.227 218 E HA 0.770 5.109 4.350 -0.019 0.000 0.268 218 E C -1.817 174.495 176.600 -0.479 0.000 0.907 218 E CA -0.411 55.912 56.400 -0.128 0.000 0.786 218 E CB 1.297 30.999 29.700 0.004 0.000 1.191 218 E HN 0.498 nan 8.360 nan 0.000 0.411 219 F N 1.401 121.319 119.950 -0.053 0.000 2.556 219 F HA 0.405 4.916 4.527 -0.027 0.000 0.314 219 F C -2.284 173.503 175.800 -0.022 0.000 1.106 219 F CA -2.457 55.545 58.000 0.004 0.000 0.911 219 F CB 2.307 41.348 39.000 0.069 0.000 1.190 219 F HN 0.324 nan 8.300 nan 0.000 0.448 220 P HA 0.348 nan 4.420 nan 0.000 0.276 220 P C -1.017 176.338 177.300 0.091 0.000 1.230 220 P CA 0.028 63.148 63.100 0.033 0.000 0.776 220 P CB 1.588 33.299 31.700 0.018 0.000 0.888 221 A N 0.000 122.807 122.820 -0.022 0.000 2.254 221 A HA 0.000 4.309 4.320 -0.019 0.000 0.244 221 A CA 0.000 52.044 52.037 0.011 0.000 0.836 221 A CB 0.000 18.814 19.000 -0.309 0.000 0.831 221 A HN 0.000 nan 8.150 nan 0.000 0.486