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 3d6r_1_A DATA FIRST_RESID 89 DATA SEQUENCE YITDMSIEEI SREWYMLMPR QKITGGLMVK MDQAIMDKRI TLKANFSVLF DATA SEQUENCE DQLETLVSLR AFTDDGAIVA EISPIPSMPG HSTEDVKNAI GILIGGLEWN DATA SEQUENCE DNSIRASENI QRFA 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 89 Y HA 0.000 nan 4.550 nan 0.000 0.201 89 Y C 0.000 175.711 175.900 -0.315 0.000 1.272 89 Y CA 0.000 57.966 58.100 -0.223 0.000 1.940 89 Y CB 0.000 38.379 38.460 -0.136 0.000 1.050 90 I N 4.875 124.804 120.570 -1.067 0.000 2.377 90 I HA 0.478 4.648 4.170 0.000 0.000 0.293 90 I C -0.080 175.496 176.117 -0.902 0.000 0.987 90 I CA -0.514 60.220 61.300 -0.942 0.000 1.185 90 I CB 1.714 38.942 38.000 -1.287 0.000 1.341 90 I HN 0.710 nan 8.210 nan 0.000 0.455 91 T N 0.310 114.604 114.554 -0.433 0.000 2.991 91 T HA 0.324 4.674 4.350 0.000 0.000 0.347 91 T C 0.317 174.939 174.700 -0.130 0.000 1.122 91 T CA -0.711 61.246 62.100 -0.238 0.000 1.062 91 T CB 1.074 69.903 68.868 -0.064 0.000 1.043 91 T HN 0.346 nan 8.240 nan 0.000 0.491 92 D N 2.400 122.742 120.400 -0.095 0.000 2.178 92 D HA 0.071 4.711 4.640 0.000 0.000 0.202 92 D C 0.702 176.976 176.300 -0.044 0.000 0.974 92 D CA 1.175 55.154 54.000 -0.035 0.000 0.841 92 D CB 0.148 40.965 40.800 0.029 0.000 0.953 92 D HN 0.567 nan 8.370 nan 0.000 0.478 93 M N 0.190 119.781 119.600 -0.015 0.000 2.472 93 M HA 0.189 4.669 4.480 0.000 0.000 0.331 93 M C 0.546 176.849 176.300 0.005 0.000 1.170 93 M CA -0.604 54.692 55.300 -0.007 0.000 1.009 93 M CB 2.294 34.943 32.600 0.081 0.000 1.672 93 M HN -0.193 nan 8.290 nan 0.000 0.453 94 S N 1.555 117.251 115.700 -0.007 0.000 2.617 94 S HA 0.317 4.787 4.470 0.000 0.000 0.259 94 S C 0.987 175.612 174.600 0.041 0.000 1.301 94 S CA -0.618 57.589 58.200 0.010 0.000 0.984 94 S CB 0.567 63.764 63.200 -0.004 0.000 0.954 94 S HN 0.696 nan 8.310 nan 0.000 0.572 95 I N 0.600 121.194 120.570 0.040 0.000 2.286 95 I HA -0.143 4.027 4.170 0.000 0.000 0.248 95 I C 2.927 179.078 176.117 0.058 0.000 1.115 95 I CA 1.539 62.869 61.300 0.050 0.000 1.392 95 I CB -0.381 37.642 38.000 0.038 0.000 1.065 95 I HN 0.782 nan 8.210 nan 0.000 0.418 96 E N 1.382 121.613 120.200 0.051 0.000 2.072 96 E HA -0.228 4.122 4.350 0.000 0.000 0.191 96 E C 1.921 178.575 176.600 0.090 0.000 0.985 96 E CA 1.490 57.928 56.400 0.062 0.000 0.801 96 E CB 0.051 29.780 29.700 0.050 0.000 0.750 96 E HN 0.539 nan 8.360 nan 0.000 0.452 97 E N 0.401 120.658 120.200 0.095 0.000 2.047 97 E HA -0.125 4.225 4.350 0.000 0.000 0.191 97 E C 2.306 179.018 176.600 0.186 0.000 0.987 97 E CA 0.931 57.429 56.400 0.164 0.000 0.799 97 E CB -0.123 29.650 29.700 0.121 0.000 0.752 97 E HN 0.276 nan 8.360 nan 0.000 0.449 98 I N 0.490 121.145 120.570 0.141 0.000 2.546 98 I HA -0.178 3.992 4.170 0.000 0.000 0.255 98 I C 1.526 177.711 176.117 0.113 0.000 1.163 98 I CA 0.877 62.253 61.300 0.127 0.000 1.457 98 I CB 0.234 38.304 38.000 0.116 0.000 1.092 98 I HN -0.032 nan 8.210 nan 0.000 0.434 99 S N -0.045 115.717 115.700 0.104 0.000 2.503 99 S HA 0.082 4.552 4.470 0.000 0.000 0.217 99 S C 0.923 175.585 174.600 0.103 0.000 0.999 99 S CA -0.310 57.945 58.200 0.091 0.000 0.914 99 S CB -0.178 63.064 63.200 0.071 0.000 0.782 99 S HN 0.309 nan 8.310 nan 0.000 0.520 100 R N 2.788 123.362 120.500 0.123 0.000 2.504 100 R HA -0.006 4.334 4.340 0.000 0.000 0.291 100 R C -0.332 176.072 176.300 0.173 0.000 0.974 100 R CA 0.444 56.628 56.100 0.140 0.000 1.077 100 R CB 0.182 30.576 30.300 0.156 0.000 0.926 100 R HN 0.326 nan 8.270 nan 0.000 0.407 101 E N 4.495 124.766 120.200 0.118 0.000 2.373 101 E HA 0.062 4.412 4.350 0.000 0.000 0.267 101 E C -0.581 176.074 176.600 0.092 0.000 1.032 101 E CA 0.250 56.665 56.400 0.025 0.000 0.889 101 E CB 0.611 30.258 29.700 -0.089 0.000 0.984 101 E HN 0.500 nan 8.360 nan 0.000 0.425 102 W N 2.602 123.721 121.300 -0.302 0.000 3.062 102 W HA 0.491 5.151 4.660 0.000 0.000 0.336 102 W C -1.868 174.412 176.519 -0.398 0.000 1.224 102 W CA -0.919 56.309 57.345 -0.195 0.000 1.159 102 W CB 0.315 29.725 29.460 -0.083 0.000 1.454 102 W HN 0.464 nan 8.180 nan 0.000 0.569 103 Y N 1.091 121.416 120.300 0.041 0.000 2.576 103 Y HA 0.648 5.198 4.550 0.000 0.000 0.346 103 Y C 0.179 176.061 175.900 -0.029 0.000 1.018 103 Y CA -1.485 56.530 58.100 -0.143 0.000 1.050 103 Y CB 2.711 41.142 38.460 -0.048 0.000 1.280 103 Y HN 0.108 nan 8.280 nan 0.000 0.474 104 M N 2.089 121.712 119.600 0.038 0.000 2.393 104 M HA 0.285 4.765 4.480 0.000 0.000 0.316 104 M C -0.255 176.087 176.300 0.069 0.000 1.087 104 M CA -0.579 54.769 55.300 0.080 0.000 0.937 104 M CB 1.856 34.459 32.600 0.004 0.000 1.668 104 M HN 0.649 nan 8.290 nan 0.000 0.438 105 L N 2.284 123.552 121.223 0.076 0.000 2.162 105 L HA 0.181 4.521 4.340 0.000 0.000 0.205 105 L C 0.626 177.515 176.870 0.031 0.000 1.086 105 L CA 1.426 56.294 54.840 0.046 0.000 0.778 105 L CB 0.094 42.180 42.059 0.045 0.000 0.928 105 L HN 0.634 nan 8.230 nan 0.000 0.446 106 M N 1.455 121.078 119.600 0.038 0.000 2.066 106 M HA 0.295 4.775 4.480 0.000 0.000 0.264 106 M C -2.455 173.860 176.300 0.025 0.000 0.886 106 M CA -1.647 53.667 55.300 0.024 0.000 0.810 106 M CB 1.486 34.100 32.600 0.024 0.000 1.451 106 M HN -0.220 nan 8.290 nan 0.000 0.373 107 P HA 0.180 nan 4.420 nan 0.000 0.271 107 P C -0.870 176.430 177.300 0.001 0.000 1.226 107 P CA 0.004 63.101 63.100 -0.005 0.000 0.765 107 P CB 0.741 32.416 31.700 -0.042 0.000 0.835 108 R N 2.618 123.128 120.500 0.017 0.000 2.725 108 R HA 0.430 4.770 4.340 0.000 0.000 0.277 108 R C 0.052 176.365 176.300 0.023 0.000 0.987 108 R CA -0.688 55.420 56.100 0.014 0.000 0.901 108 R CB 2.584 32.896 30.300 0.019 0.000 1.207 108 R HN 0.607 nan 8.270 nan 0.000 0.463 109 Q N 0.596 120.403 119.800 0.012 0.000 2.416 109 Q HA 0.648 4.988 4.340 0.000 0.000 0.281 109 Q C -1.246 174.762 176.000 0.013 0.000 1.067 109 Q CA -1.058 54.755 55.803 0.017 0.000 0.809 109 Q CB 3.105 31.846 28.738 0.005 0.000 1.418 109 Q HN 0.315 nan 8.270 nan 0.000 0.411 110 K N 1.816 122.226 120.400 0.017 0.000 2.464 110 K HA 0.571 4.891 4.320 0.000 0.000 0.253 110 K C -1.244 175.362 176.600 0.011 0.000 0.933 110 K CA -0.652 55.642 56.287 0.013 0.000 0.801 110 K CB 2.238 34.748 32.500 0.017 0.000 1.271 110 K HN 0.585 nan 8.250 nan 0.000 0.430 111 I N 1.100 121.675 120.570 0.008 0.000 2.412 111 I HA 0.270 4.440 4.170 0.000 0.000 0.296 111 I C -0.202 175.919 176.117 0.007 0.000 0.987 111 I CA -0.475 60.829 61.300 0.006 0.000 1.180 111 I CB 2.139 40.142 38.000 0.006 0.000 1.340 111 I HN 0.448 nan 8.210 nan 0.000 0.455 112 T N 4.297 118.854 114.554 0.005 0.000 3.031 112 T HA 0.565 4.915 4.350 0.000 0.000 0.305 112 T C 0.180 174.888 174.700 0.013 0.000 0.985 112 T CA 0.465 62.569 62.100 0.008 0.000 1.008 112 T CB 0.711 69.582 68.868 0.005 0.000 1.005 112 T HN 1.070 nan 8.240 nan 0.000 0.444 113 G N 4.135 112.949 108.800 0.023 0.000 2.611 113 G HA2 -0.218 3.742 3.960 0.000 0.000 0.301 113 G HA3 -0.218 3.742 3.960 0.000 0.000 0.301 113 G C 1.012 175.938 174.900 0.044 0.000 1.233 113 G CA 0.391 45.514 45.100 0.038 0.000 0.993 113 G HN 1.561 nan 8.290 nan 0.000 0.553 114 G N -0.193 108.653 108.800 0.077 0.000 3.181 114 G HA2 0.482 4.442 3.960 0.000 0.000 0.219 114 G HA3 0.482 4.442 3.960 0.000 0.000 0.219 114 G C 0.455 175.374 174.900 0.032 0.000 1.182 114 G CA 0.342 45.491 45.100 0.082 0.000 0.791 114 G HN 0.610 nan 8.290 nan 0.000 0.537 115 L N 0.412 121.626 121.223 -0.015 0.000 2.329 115 L HA 0.608 4.948 4.340 0.000 0.000 0.279 115 L C -0.286 176.568 176.870 -0.027 0.000 1.014 115 L CA -1.044 53.755 54.840 -0.068 0.000 0.814 115 L CB 2.135 44.116 42.059 -0.130 0.000 1.257 115 L HN 0.036 nan 8.230 nan 0.000 0.424 116 M N 3.636 123.225 119.600 -0.018 0.000 2.238 116 M HA 0.462 4.942 4.480 0.000 0.000 0.350 116 M C -1.268 175.039 176.300 0.012 0.000 1.138 116 M CA -0.217 55.085 55.300 0.002 0.000 1.040 116 M CB 1.499 34.105 32.600 0.011 0.000 1.639 116 M HN 0.227 nan 8.290 nan 0.000 0.451 117 V N 5.941 125.868 119.914 0.021 0.000 2.334 117 V HA 0.490 4.610 4.120 0.000 0.000 0.281 117 V C -0.407 175.725 176.094 0.064 0.000 1.016 117 V CA -0.711 61.611 62.300 0.036 0.000 0.832 117 V CB 0.975 32.812 31.823 0.024 0.000 0.999 117 V HN 0.786 nan 8.190 nan 0.000 0.439 118 K N 6.412 126.883 120.400 0.118 0.000 2.221 118 K HA 0.875 5.195 4.320 0.000 0.000 0.258 118 K C -0.605 176.142 176.600 0.245 0.000 0.944 118 K CA -0.596 55.789 56.287 0.163 0.000 0.823 118 K CB 2.203 34.811 32.500 0.180 0.000 1.113 118 K HN 0.824 nan 8.250 nan 0.000 0.431 119 M N -0.228 119.492 119.600 0.199 0.000 2.470 119 M HA 0.375 4.855 4.480 0.000 0.000 0.285 119 M C -1.487 174.923 176.300 0.182 0.000 1.213 119 M CA -0.929 54.492 55.300 0.201 0.000 0.901 119 M CB 2.153 34.816 32.600 0.105 0.000 1.718 119 M HN 0.232 nan 8.290 nan 0.000 0.469 120 D N 2.288 122.816 120.400 0.212 0.000 2.352 120 D HA 0.121 4.761 4.640 0.000 0.000 0.245 120 D C 0.575 176.935 176.300 0.100 0.000 1.224 120 D CA 0.416 54.511 54.000 0.159 0.000 0.879 120 D CB 1.558 42.476 40.800 0.197 0.000 1.057 120 D HN 0.870 nan 8.370 nan 0.000 0.491 121 Q N 3.302 123.146 119.800 0.073 0.000 2.364 121 Q HA -0.074 4.266 4.340 0.000 0.000 0.209 121 Q C 1.457 177.488 176.000 0.053 0.000 0.977 121 Q CA 1.420 57.257 55.803 0.055 0.000 0.885 121 Q CB 0.045 28.802 28.738 0.032 0.000 0.941 121 Q HN 0.535 nan 8.270 nan 0.000 0.464 122 A N -0.270 122.583 122.820 0.056 0.000 2.167 122 A HA 0.084 4.404 4.320 0.000 0.000 0.214 122 A C 0.321 177.936 177.584 0.052 0.000 1.151 122 A CA 0.055 52.121 52.037 0.049 0.000 0.735 122 A CB -0.057 18.971 19.000 0.046 0.000 0.802 122 A HN 0.298 nan 8.150 nan 0.000 0.467 123 I N 1.188 121.793 120.570 0.059 0.000 2.396 123 I HA 0.330 4.500 4.170 0.000 0.000 0.289 123 I C 0.079 176.227 176.117 0.051 0.000 1.056 123 I CA 0.402 61.734 61.300 0.053 0.000 1.365 123 I CB -0.032 37.999 38.000 0.052 0.000 1.407 123 I HN 0.284 nan 8.210 nan 0.000 0.509 124 M N 4.645 124.272 119.600 0.045 0.000 2.550 124 M HA 0.374 4.854 4.480 0.000 0.000 0.292 124 M C -0.227 176.094 176.300 0.036 0.000 1.221 124 M CA -0.748 54.579 55.300 0.045 0.000 0.873 124 M CB 2.228 34.856 32.600 0.046 0.000 1.727 124 M HN 0.422 nan 8.290 nan 0.000 0.459 125 D N 0.430 120.850 120.400 0.033 0.000 2.837 125 D HA -0.123 4.517 4.640 0.000 0.000 0.230 125 D C -0.595 175.718 176.300 0.022 0.000 1.152 125 D CA 1.154 55.169 54.000 0.025 0.000 0.736 125 D CB -0.688 40.127 40.800 0.024 0.000 1.084 125 D HN 0.390 nan 8.370 nan 0.000 0.429 126 K N 0.399 120.812 120.400 0.023 0.000 2.203 126 K HA 0.417 4.737 4.320 0.000 0.000 0.251 126 K C 0.471 177.082 176.600 0.018 0.000 0.944 126 K CA -0.747 55.553 56.287 0.021 0.000 0.829 126 K CB 2.012 34.527 32.500 0.025 0.000 1.125 126 K HN 0.068 nan 8.250 nan 0.000 0.430 127 R N 2.825 123.335 120.500 0.018 0.000 2.316 127 R HA 0.194 4.534 4.340 0.000 0.000 0.314 127 R C -0.436 175.878 176.300 0.025 0.000 1.069 127 R CA -0.175 55.935 56.100 0.017 0.000 0.959 127 R CB 0.282 30.591 30.300 0.015 0.000 0.987 127 R HN 0.365 nan 8.270 nan 0.000 0.446 128 I N 4.048 124.631 120.570 0.022 0.000 2.433 128 I HA 0.235 4.405 4.170 0.000 0.000 0.292 128 I C -0.177 175.964 176.117 0.040 0.000 1.001 128 I CA -0.520 60.797 61.300 0.029 0.000 1.119 128 I CB 1.903 39.908 38.000 0.008 0.000 1.289 128 I HN 0.628 nan 8.210 nan 0.000 0.438 129 T N 7.080 121.681 114.554 0.079 0.000 2.770 129 T HA 0.568 4.918 4.350 0.000 0.000 0.283 129 T C 0.133 174.915 174.700 0.136 0.000 0.988 129 T CA -0.476 61.676 62.100 0.088 0.000 0.957 129 T CB 1.105 70.019 68.868 0.076 0.000 0.930 129 T HN 0.242 nan 8.240 nan 0.000 0.443 130 L N 4.060 125.336 121.223 0.089 0.000 2.276 130 L HA 0.536 4.876 4.340 0.000 0.000 0.286 130 L C 0.391 177.336 176.870 0.126 0.000 1.061 130 L CA -0.516 54.381 54.840 0.095 0.000 0.807 130 L CB 0.606 42.689 42.059 0.040 0.000 1.177 130 L HN 0.406 nan 8.230 nan 0.000 0.429 131 K N 2.780 123.292 120.400 0.187 0.000 2.422 131 K HA 0.870 5.190 4.320 0.000 0.000 0.251 131 K C -1.099 175.610 176.600 0.182 0.000 0.933 131 K CA -0.690 55.698 56.287 0.169 0.000 0.798 131 K CB 2.786 35.372 32.500 0.144 0.000 1.238 131 K HN 0.670 nan 8.250 nan 0.000 0.428 132 A N 2.211 125.150 122.820 0.197 0.000 2.539 132 A HA 0.619 4.939 4.320 0.000 0.000 0.296 132 A C -1.506 176.217 177.584 0.232 0.000 1.073 132 A CA -0.923 51.264 52.037 0.250 0.000 0.700 132 A CB 1.218 20.390 19.000 0.286 0.000 1.296 132 A HN 0.665 nan 8.150 nan 0.000 0.405 133 N N 0.643 119.443 118.700 0.167 0.000 2.342 133 N HA 0.846 5.586 4.740 0.000 0.000 0.293 133 N C -1.117 174.385 175.510 -0.012 0.000 1.026 133 N CA -0.054 52.937 53.050 -0.100 0.000 0.857 133 N CB 1.246 39.738 38.487 0.009 0.000 1.256 133 N HN 0.647 nan 8.380 nan 0.000 0.484 134 F N -1.805 117.836 119.950 -0.515 0.000 2.725 134 F HA 0.529 5.056 4.527 0.000 0.000 0.309 134 F C -0.318 175.240 175.800 -0.403 0.000 1.132 134 F CA -1.364 56.475 58.000 -0.268 0.000 0.957 134 F CB 0.427 39.363 39.000 -0.107 0.000 1.286 134 F HN 0.263 nan 8.300 nan 0.000 0.440 135 S N 0.916 116.729 115.700 0.190 0.000 2.610 135 S HA 0.815 5.285 4.470 0.000 0.000 0.273 135 S C -0.948 173.731 174.600 0.131 0.000 1.274 135 S CA -0.591 57.715 58.200 0.177 0.000 1.023 135 S CB 1.670 65.034 63.200 0.274 0.000 0.962 135 S HN 0.801 nan 8.310 nan 0.000 0.523 136 V N 3.057 122.968 119.914 -0.005 0.000 2.487 136 V HA 0.398 4.518 4.120 0.000 0.000 0.298 136 V C -0.844 175.293 176.094 0.071 0.000 1.028 136 V CA -0.825 61.455 62.300 -0.034 0.000 0.860 136 V CB 1.560 33.157 31.823 -0.377 0.000 0.991 136 V HN 0.850 nan 8.190 nan 0.000 0.427 137 L N 6.730 128.036 121.223 0.138 0.000 2.321 137 L HA 0.512 4.852 4.340 0.000 0.000 0.272 137 L C 0.234 177.331 176.870 0.378 0.000 1.050 137 L CA 0.419 55.389 54.840 0.217 0.000 0.893 137 L CB -0.365 41.753 42.059 0.099 0.000 1.272 137 L HN 0.796 nan 8.230 nan 0.000 0.435 138 F N 1.341 121.319 119.950 0.047 0.000 2.544 138 F HA -0.337 4.189 4.527 -0.000 0.000 0.702 138 F C 1.338 177.210 175.800 0.120 0.000 0.487 138 F CA 1.617 59.657 58.000 0.067 0.000 0.774 138 F CB -0.829 38.205 39.000 0.057 0.000 1.639 138 F HN 0.537 nan 8.300 nan 0.000 0.268 139 D N -0.507 120.104 120.400 0.352 0.000 2.912 139 D HA 0.198 4.838 4.640 0.000 0.000 0.297 139 D C -0.449 176.098 176.300 0.412 0.000 1.636 139 D CA 0.441 54.667 54.000 0.377 0.000 0.868 139 D CB 0.198 41.154 40.800 0.259 0.000 1.484 139 D HN 0.449 nan 8.370 nan 0.000 0.423 140 Q N 0.511 120.518 119.800 0.345 0.000 2.377 140 Q HA 0.377 4.717 4.340 0.000 0.000 0.279 140 Q C -1.210 174.925 176.000 0.225 0.000 1.049 140 Q CA -0.930 55.052 55.803 0.298 0.000 0.825 140 Q CB 2.081 30.919 28.738 0.166 0.000 1.401 140 Q HN 0.190 nan 8.270 nan 0.000 0.404 141 L N 2.837 124.175 121.223 0.192 0.000 2.578 141 L HA -0.061 4.279 4.340 0.000 0.000 0.279 141 L C 0.521 177.445 176.870 0.091 0.000 1.227 141 L CA 0.647 55.539 54.840 0.087 0.000 0.900 141 L CB 0.619 42.554 42.059 -0.207 0.000 1.144 141 L HN 0.893 nan 8.230 nan 0.000 0.496 142 E N 2.305 122.582 120.200 0.129 0.000 2.192 142 E HA 0.142 4.492 4.350 0.000 0.000 0.196 142 E C -0.343 176.315 176.600 0.097 0.000 0.922 142 E CA 0.483 56.938 56.400 0.092 0.000 0.924 142 E CB 0.561 30.311 29.700 0.083 0.000 0.911 142 E HN 0.649 nan 8.360 nan 0.000 0.478 143 T N 1.433 116.084 114.554 0.161 0.000 2.809 143 T HA 0.448 4.798 4.350 0.000 0.000 0.284 143 T C -1.209 173.709 174.700 0.364 0.000 0.992 143 T CA -0.591 61.632 62.100 0.205 0.000 0.957 143 T CB 1.229 70.162 68.868 0.108 0.000 0.942 143 T HN 0.155 nan 8.240 nan 0.000 0.439 144 L N 5.296 126.825 121.223 0.510 0.000 2.281 144 L HA 0.433 4.773 4.340 0.000 0.000 0.285 144 L C 0.769 177.794 176.870 0.258 0.000 1.074 144 L CA 0.284 55.290 54.840 0.278 0.000 0.817 144 L CB 0.756 42.840 42.059 0.042 0.000 1.168 144 L HN 0.535 nan 8.230 nan 0.000 0.434 145 V N 2.742 122.810 119.914 0.257 0.000 2.492 145 V HA 0.237 4.357 4.120 0.000 0.000 0.241 145 V C 0.713 176.894 176.094 0.145 0.000 1.041 145 V CA 1.042 63.472 62.300 0.218 0.000 1.057 145 V CB 0.217 32.207 31.823 0.279 0.000 0.711 145 V HN 0.836 nan 8.190 nan 0.000 0.468 146 S N -0.835 114.949 115.700 0.141 0.000 2.548 146 S HA 0.557 5.027 4.470 0.000 0.000 0.278 146 S C -1.669 172.988 174.600 0.096 0.000 1.150 146 S CA -0.507 57.751 58.200 0.096 0.000 0.907 146 S CB 1.584 64.844 63.200 0.099 0.000 1.108 146 S HN 0.261 nan 8.310 nan 0.000 0.459 147 L N 4.982 126.233 121.223 0.047 0.000 2.333 147 L HA 0.751 5.091 4.340 0.000 0.000 0.280 147 L C -0.714 176.137 176.870 -0.032 0.000 1.004 147 L CA -0.480 54.383 54.840 0.038 0.000 0.820 147 L CB 1.143 43.207 42.059 0.009 0.000 1.247 147 L HN 0.771 nan 8.230 nan 0.000 0.416 148 R N 3.703 124.178 120.500 -0.042 0.000 2.803 148 R HA 0.794 5.134 4.340 0.000 0.000 0.276 148 R C -1.087 175.025 176.300 -0.313 0.000 0.978 148 R CA -0.852 55.067 56.100 -0.301 0.000 0.939 148 R CB 2.094 32.102 30.300 -0.487 0.000 1.179 148 R HN 0.685 nan 8.270 nan 0.000 0.472 149 A N 2.844 125.353 122.820 -0.517 0.000 2.271 149 A HA 0.653 4.973 4.320 0.000 0.000 0.317 149 A C -1.124 176.180 177.584 -0.467 0.000 1.245 149 A CA -0.417 51.435 52.037 -0.308 0.000 0.857 149 A CB 0.245 19.112 19.000 -0.220 0.000 1.175 149 A HN 0.554 nan 8.150 nan 0.000 0.512 150 F N 1.252 121.139 119.950 -0.106 0.000 2.508 150 F HA 0.502 5.029 4.527 -0.000 0.000 0.325 150 F C 1.271 177.040 175.800 -0.052 0.000 1.090 150 F CA -0.230 57.718 58.000 -0.087 0.000 0.945 150 F CB 2.363 41.323 39.000 -0.067 0.000 1.156 150 F HN 0.669 nan 8.300 nan 0.000 0.463 151 T N -2.057 112.576 114.554 0.132 0.000 2.788 151 T HA 0.105 4.455 4.350 0.000 0.000 0.287 151 T C 0.785 175.544 174.700 0.099 0.000 1.007 151 T CA -0.654 61.500 62.100 0.089 0.000 1.005 151 T CB 0.756 69.660 68.868 0.060 0.000 1.012 151 T HN 0.501 nan 8.240 nan 0.000 0.530 152 D N 0.081 120.516 120.400 0.059 0.000 2.190 152 D HA -0.097 4.543 4.640 0.000 0.000 0.200 152 D C 1.335 177.658 176.300 0.038 0.000 0.992 152 D CA 1.359 55.383 54.000 0.039 0.000 0.854 152 D CB -0.277 40.538 40.800 0.025 0.000 0.936 152 D HN 0.779 nan 8.370 nan 0.000 0.462 153 D N -1.486 118.944 120.400 0.050 0.000 2.328 153 D HA 0.170 4.810 4.640 0.000 0.000 0.221 153 D C 1.105 177.448 176.300 0.073 0.000 1.072 153 D CA 0.613 54.642 54.000 0.048 0.000 0.850 153 D CB -0.018 40.809 40.800 0.045 0.000 0.922 153 D HN 0.184 nan 8.370 nan 0.000 0.516 154 G N -0.374 108.494 108.800 0.114 0.000 2.132 154 G HA2 -0.164 3.796 3.960 0.000 0.000 0.234 154 G HA3 -0.164 3.796 3.960 0.000 0.000 0.234 154 G C 0.422 175.488 174.900 0.277 0.000 0.989 154 G CA 0.097 45.316 45.100 0.198 0.000 0.676 154 G HN 0.627 nan 8.290 nan 0.000 0.522 155 A N 0.004 122.925 122.820 0.169 0.000 2.366 155 A HA 0.724 5.044 4.320 0.000 0.000 0.272 155 A C 0.554 178.110 177.584 -0.046 0.000 1.135 155 A CA -0.256 51.837 52.037 0.094 0.000 0.804 155 A CB 0.364 19.408 19.000 0.074 0.000 1.064 155 A HN 0.739 nan 8.150 nan 0.000 0.499 156 I N 3.120 123.573 120.570 -0.194 0.000 2.371 156 I HA 0.192 4.362 4.170 0.000 0.000 0.290 156 I C 1.093 176.919 176.117 -0.484 0.000 1.028 156 I CA -0.068 60.851 61.300 -0.635 0.000 1.345 156 I CB 1.482 38.933 38.000 -0.915 0.000 1.407 156 I HN 0.586 nan 8.210 nan 0.000 0.501 157 V N 2.846 122.441 119.914 -0.532 0.000 3.556 157 V HA 0.704 4.824 4.120 0.000 0.000 0.287 157 V C 0.394 176.326 176.094 -0.270 0.000 1.422 157 V CA 0.316 62.476 62.300 -0.232 0.000 1.038 157 V CB 0.169 31.940 31.823 -0.087 0.000 0.850 157 V HN 0.747 nan 8.190 nan 0.000 0.437 158 A N -0.019 122.400 122.820 -0.668 0.000 2.586 158 A HA 0.810 5.130 4.320 0.000 0.000 0.291 158 A C -1.224 176.044 177.584 -0.528 0.000 1.062 158 A CA -0.248 51.562 52.037 -0.379 0.000 0.666 158 A CB 1.729 20.655 19.000 -0.122 0.000 1.281 158 A HN 0.428 nan 8.150 nan 0.000 0.421 159 E N 0.471 120.603 120.200 -0.115 0.000 2.335 159 E HA 0.620 4.970 4.350 0.000 0.000 0.280 159 E C -1.854 174.766 176.600 0.033 0.000 0.918 159 E CA -0.543 55.820 56.400 -0.061 0.000 0.765 159 E CB 1.584 31.346 29.700 0.103 0.000 1.218 159 E HN 0.594 nan 8.360 nan 0.000 0.425 160 I N 3.357 123.923 120.570 -0.007 0.000 2.354 160 I HA 0.432 4.602 4.170 0.000 0.000 0.292 160 I C -0.497 175.616 176.117 -0.006 0.000 0.989 160 I CA -0.390 60.906 61.300 -0.008 0.000 1.188 160 I CB 1.583 39.562 38.000 -0.036 0.000 1.342 160 I HN 0.524 nan 8.210 nan 0.000 0.457 161 S N 5.453 121.149 115.700 -0.007 0.000 2.565 161 S HA 0.608 5.078 4.470 0.000 0.000 0.269 161 S C -3.108 171.474 174.600 -0.030 0.000 1.153 161 S CA -1.574 56.622 58.200 -0.006 0.000 0.835 161 S CB 1.933 65.162 63.200 0.048 0.000 1.122 161 S HN 0.161 nan 8.310 nan 0.000 0.462 162 P HA 0.255 nan 4.420 nan 0.000 0.266 162 P C -0.523 176.795 177.300 0.030 0.000 1.195 162 P CA -0.195 62.908 63.100 0.004 0.000 0.768 162 P CB 0.075 31.839 31.700 0.108 0.000 0.838 163 I N 5.444 126.032 120.570 0.030 0.000 2.662 163 I HA -0.029 4.141 4.170 0.000 0.000 0.285 163 I C -1.211 174.927 176.117 0.035 0.000 1.161 163 I CA -1.133 60.184 61.300 0.027 0.000 1.415 163 I CB 0.275 38.289 38.000 0.024 0.000 1.385 163 I HN 0.340 nan 8.210 nan 0.000 0.552 164 P HA -0.188 nan 4.420 nan 0.000 0.216 164 P C 1.326 178.643 177.300 0.027 0.000 1.153 164 P CA 1.325 64.443 63.100 0.029 0.000 0.858 164 P CB 0.136 31.846 31.700 0.018 0.000 0.789 165 S N -1.551 114.162 115.700 0.020 0.000 2.593 165 S HA 0.105 4.575 4.470 0.000 0.000 0.217 165 S C 0.936 175.549 174.600 0.022 0.000 0.966 165 S CA -0.084 58.127 58.200 0.018 0.000 0.914 165 S CB -0.886 62.321 63.200 0.011 0.000 0.776 165 S HN 0.197 nan 8.310 nan 0.000 0.523 166 M N -0.974 118.643 119.600 0.030 0.000 4.012 166 M HA 0.426 4.906 4.480 0.000 0.000 0.458 166 M C -2.821 173.512 176.300 0.056 0.000 2.038 166 M CA -1.193 54.129 55.300 0.035 0.000 0.479 166 M CB 1.189 33.806 32.600 0.028 0.000 1.517 166 M HN -0.167 nan 8.290 nan 0.000 0.525 167 P HA 0.095 nan 4.420 nan 0.000 0.236 167 P C 0.873 178.281 177.300 0.179 0.000 1.177 167 P CA 0.668 63.842 63.100 0.123 0.000 0.773 167 P CB 0.018 31.783 31.700 0.109 0.000 0.878 168 G N 1.943 110.800 108.800 0.094 0.000 2.272 168 G HA2 0.188 4.148 3.960 0.000 0.000 0.247 168 G HA3 0.188 4.148 3.960 0.000 0.000 0.247 168 G C 0.091 175.053 174.900 0.104 0.000 1.272 168 G CA 0.109 45.236 45.100 0.045 0.000 0.921 168 G HN 0.437 nan 8.290 nan 0.000 0.495 169 H N -0.713 118.369 119.070 0.020 0.000 2.960 169 H HA 0.743 5.299 4.556 -0.000 0.000 0.323 169 H C -0.645 174.693 175.328 0.016 0.000 1.326 169 H CA -0.395 55.664 56.048 0.017 0.000 1.124 169 H CB 1.280 31.054 29.762 0.020 0.000 1.853 169 H HN 0.685 nan 8.280 nan 0.000 0.536 170 S N -0.886 114.916 115.700 0.170 0.000 2.671 170 S HA 0.225 4.695 4.470 0.000 0.000 0.299 170 S C 1.069 175.755 174.600 0.143 0.000 1.116 170 S CA -0.031 58.220 58.200 0.085 0.000 0.912 170 S CB 1.519 64.748 63.200 0.049 0.000 1.130 170 S HN 0.855 nan 8.310 nan 0.000 0.501 171 T N -1.712 112.888 114.554 0.077 0.000 2.833 171 T HA -0.149 4.201 4.350 0.000 0.000 0.269 171 T C 1.385 176.111 174.700 0.043 0.000 1.054 171 T CA 1.593 63.730 62.100 0.062 0.000 1.135 171 T CB -0.749 68.140 68.868 0.036 0.000 0.869 171 T HN 0.768 nan 8.240 nan 0.000 0.466 172 E N 1.113 121.336 120.200 0.039 0.000 2.077 172 E HA -0.196 4.154 4.350 0.000 0.000 0.193 172 E C 1.781 178.397 176.600 0.028 0.000 0.989 172 E CA 1.402 57.818 56.400 0.027 0.000 0.800 172 E CB -0.163 29.551 29.700 0.023 0.000 0.746 172 E HN 0.458 nan 8.360 nan 0.000 0.452 173 D N 0.097 120.525 120.400 0.048 0.000 2.133 173 D HA -0.166 4.474 4.640 0.000 0.000 0.195 173 D C 2.059 178.361 176.300 0.003 0.000 0.997 173 D CA 1.151 55.173 54.000 0.035 0.000 0.840 173 D CB -0.279 40.562 40.800 0.069 0.000 0.947 173 D HN 0.121 nan 8.370 nan 0.000 0.452 174 V N 1.132 121.051 119.914 0.009 0.000 2.261 174 V HA -0.253 3.867 4.120 0.000 0.000 0.246 174 V C 2.349 178.421 176.094 -0.037 0.000 1.047 174 V CA 1.658 63.937 62.300 -0.035 0.000 1.015 174 V CB -0.406 31.398 31.823 -0.031 0.000 0.642 174 V HN 0.184 nan 8.190 nan 0.000 0.446 175 K N 0.212 120.599 120.400 -0.022 0.000 2.063 175 K HA -0.200 4.120 4.320 0.000 0.000 0.208 175 K C 2.074 178.665 176.600 -0.015 0.000 1.048 175 K CA 1.756 58.030 56.287 -0.022 0.000 0.928 175 K CB -0.359 32.134 32.500 -0.012 0.000 0.713 175 K HN 0.422 nan 8.250 nan 0.000 0.442 176 N N 0.929 119.625 118.700 -0.007 0.000 2.084 176 N HA -0.137 4.603 4.740 0.000 0.000 0.190 176 N C 1.759 177.266 175.510 -0.005 0.000 1.030 176 N CA 1.479 54.528 53.050 -0.002 0.000 0.849 176 N CB -0.465 38.025 38.487 0.004 0.000 1.012 176 N HN 0.198 nan 8.380 nan 0.000 0.423 177 A N 1.215 124.026 122.820 -0.015 0.000 1.902 177 A HA -0.078 4.242 4.320 0.000 0.000 0.217 177 A C 2.344 179.918 177.584 -0.016 0.000 1.181 177 A CA 0.982 53.008 52.037 -0.018 0.000 0.623 177 A CB -0.711 18.265 19.000 -0.039 0.000 0.818 177 A HN 0.230 nan 8.150 nan 0.000 0.443 178 I N -0.377 120.177 120.570 -0.026 0.000 2.179 178 I HA -0.215 3.955 4.170 0.000 0.000 0.242 178 I C 2.745 178.855 176.117 -0.012 0.000 1.088 178 I CA 1.172 62.457 61.300 -0.025 0.000 1.357 178 I CB -0.763 37.215 38.000 -0.038 0.000 1.051 178 I HN 0.404 nan 8.210 nan 0.000 0.409 179 G N 1.234 110.028 108.800 -0.009 0.000 2.440 179 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 179 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 179 G C 1.708 176.616 174.900 0.013 0.000 1.154 179 G CA 0.739 45.838 45.100 -0.001 0.000 0.767 179 G HN 0.316 nan 8.290 nan 0.000 0.552 180 I N -0.065 120.516 120.570 0.018 0.000 2.179 180 I HA -0.146 4.024 4.170 0.000 0.000 0.242 180 I C 2.595 178.737 176.117 0.042 0.000 1.088 180 I CA 0.742 62.063 61.300 0.035 0.000 1.357 180 I CB -0.199 37.817 38.000 0.027 0.000 1.051 180 I HN 0.197 nan 8.210 nan 0.000 0.409 181 L N 0.969 122.206 121.223 0.024 0.000 2.027 181 L HA -0.155 4.185 4.340 0.000 0.000 0.206 181 L C 2.289 179.175 176.870 0.026 0.000 1.074 181 L CA 1.819 56.673 54.840 0.024 0.000 0.745 181 L CB -0.486 41.575 42.059 0.002 0.000 0.898 181 L HN 0.112 nan 8.230 nan 0.000 0.433 182 I N -0.449 120.129 120.570 0.012 0.000 2.226 182 I HA -0.236 3.934 4.170 0.000 0.000 0.245 182 I C 2.424 178.547 176.117 0.011 0.000 1.100 182 I CA 1.339 62.641 61.300 0.003 0.000 1.374 182 I CB -1.033 36.960 38.000 -0.011 0.000 1.057 182 I HN 0.448 nan 8.210 nan 0.000 0.413 183 G N 0.383 109.200 108.800 0.028 0.000 2.404 183 G HA2 -0.171 3.789 3.960 0.000 0.000 0.215 183 G HA3 -0.171 3.789 3.960 0.000 0.000 0.215 183 G C 1.722 176.717 174.900 0.159 0.000 1.174 183 G CA 0.771 45.900 45.100 0.047 0.000 0.780 183 G HN 0.486 nan 8.290 nan 0.000 0.537 184 G N 0.970 109.873 108.800 0.171 0.000 2.446 184 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 184 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 184 G C 1.816 176.824 174.900 0.180 0.000 1.168 184 G CA 0.867 46.088 45.100 0.202 0.000 0.771 184 G HN 0.420 nan 8.290 nan 0.000 0.551 185 L N -0.047 121.237 121.223 0.102 0.000 2.056 185 L HA -0.008 4.332 4.340 0.000 0.000 0.207 185 L C 2.852 179.764 176.870 0.070 0.000 1.078 185 L CA 1.085 55.970 54.840 0.074 0.000 0.749 185 L CB -0.374 41.705 42.059 0.033 0.000 0.901 185 L HN 0.284 nan 8.230 nan 0.000 0.433 186 E N -0.902 119.317 120.200 0.031 0.000 2.268 186 E HA -0.224 4.126 4.350 0.000 0.000 0.195 186 E C 1.985 178.564 176.600 -0.035 0.000 0.995 186 E CA 0.909 57.287 56.400 -0.037 0.000 0.836 186 E CB -0.112 29.518 29.700 -0.116 0.000 0.763 186 E HN 0.510 nan 8.360 nan 0.000 0.491 187 W N 1.373 122.675 121.300 0.003 0.000 2.392 187 W HA -0.121 4.539 4.660 0.000 0.000 0.279 187 W C 1.182 177.704 176.519 0.006 0.000 1.225 187 W CA 0.763 58.111 57.345 0.004 0.000 1.233 187 W CB 0.046 29.509 29.460 0.005 0.000 1.122 187 W HN 0.013 nan 8.180 nan 0.000 0.561 188 N N 0.299 119.143 118.700 0.241 0.000 2.295 188 N HA -0.030 4.710 4.740 0.000 0.000 0.221 188 N C -0.806 174.759 175.510 0.091 0.000 1.129 188 N CA 0.267 53.408 53.050 0.151 0.000 0.836 188 N CB 0.069 38.625 38.487 0.115 0.000 1.040 188 N HN -0.091 nan 8.380 nan 0.000 0.494 189 D N -0.094 120.347 120.400 0.068 0.000 3.012 189 D HA -0.173 4.467 4.640 0.000 0.000 0.222 189 D C -0.674 175.637 176.300 0.019 0.000 1.167 189 D CA 0.859 54.876 54.000 0.028 0.000 0.854 189 D CB -1.362 39.458 40.800 0.034 0.000 1.107 189 D HN 0.409 nan 8.370 nan 0.000 0.421 190 N N 0.301 119.015 118.700 0.023 0.000 2.513 190 N HA 0.288 5.028 4.740 0.000 0.000 0.274 190 N C 0.375 175.886 175.510 0.000 0.000 1.189 190 N CA 0.005 53.064 53.050 0.016 0.000 0.975 190 N CB 1.146 39.647 38.487 0.022 0.000 1.157 190 N HN 0.184 nan 8.380 nan 0.000 0.465 191 S N 0.948 116.648 115.700 0.000 0.000 2.475 191 S HA 0.554 5.024 4.470 0.000 0.000 0.298 191 S C -0.204 174.395 174.600 -0.003 0.000 1.119 191 S CA -0.885 57.310 58.200 -0.007 0.000 1.085 191 S CB 1.000 64.197 63.200 -0.006 0.000 1.028 191 S HN 0.306 nan 8.310 nan 0.000 0.489 192 I N 3.150 123.715 120.570 -0.008 0.000 2.412 192 I HA 0.517 4.687 4.170 0.000 0.000 0.296 192 I C 0.328 176.444 176.117 -0.002 0.000 0.987 192 I CA -0.656 60.642 61.300 -0.003 0.000 1.180 192 I CB 1.572 39.566 38.000 -0.009 0.000 1.340 192 I HN 0.937 nan 8.210 nan 0.000 0.455 193 R N 4.227 124.731 120.500 0.007 0.000 2.686 193 R HA 0.926 5.266 4.340 0.000 0.000 0.286 193 R C -1.262 175.047 176.300 0.015 0.000 0.969 193 R CA -0.849 55.254 56.100 0.006 0.000 0.898 193 R CB 2.070 32.373 30.300 0.006 0.000 1.183 193 R HN 0.572 nan 8.270 nan 0.000 0.456 194 A N 1.883 124.710 122.820 0.012 0.000 2.325 194 A HA 0.496 4.816 4.320 0.000 0.000 0.333 194 A C 0.123 177.724 177.584 0.028 0.000 1.155 194 A CA -0.599 51.451 52.037 0.022 0.000 0.814 194 A CB 1.212 20.219 19.000 0.012 0.000 1.206 194 A HN 0.954 nan 8.150 nan 0.000 0.482 195 S N 1.302 117.030 115.700 0.046 0.000 2.560 195 S HA -0.009 4.461 4.470 0.000 0.000 0.276 195 S C 0.689 175.319 174.600 0.049 0.000 1.350 195 S CA 0.445 58.675 58.200 0.050 0.000 1.024 195 S CB 0.349 63.596 63.200 0.078 0.000 0.864 195 S HN 0.677 nan 8.310 nan 0.000 0.536 196 E N 2.177 122.400 120.200 0.038 0.000 2.077 196 E HA -0.177 4.173 4.350 0.000 0.000 0.193 196 E C 1.859 178.491 176.600 0.053 0.000 0.989 196 E CA 1.574 57.989 56.400 0.024 0.000 0.800 196 E CB -0.713 28.993 29.700 0.010 0.000 0.746 196 E HN 0.821 nan 8.360 nan 0.000 0.452 197 N N 0.539 119.321 118.700 0.136 0.000 2.120 197 N HA -0.115 4.625 4.740 0.000 0.000 0.188 197 N C 2.080 177.828 175.510 0.397 0.000 1.024 197 N CA 0.878 54.117 53.050 0.316 0.000 0.852 197 N CB -0.102 38.599 38.487 0.358 0.000 1.003 197 N HN 0.094 nan 8.380 nan 0.000 0.424 198 I N 1.255 121.977 120.570 0.253 0.000 2.179 198 I HA -0.296 3.874 4.170 0.000 0.000 0.242 198 I C 2.274 178.413 176.117 0.036 0.000 1.088 198 I CA 1.273 62.640 61.300 0.111 0.000 1.357 198 I CB -0.318 37.715 38.000 0.056 0.000 1.051 198 I HN 0.218 nan 8.210 nan 0.000 0.409 199 Q N 0.169 119.979 119.800 0.018 0.000 2.096 199 Q HA -0.284 4.056 4.340 0.000 0.000 0.204 199 Q C 2.295 178.255 176.000 -0.066 0.000 0.982 199 Q CA 1.861 57.649 55.803 -0.024 0.000 0.850 199 Q CB -0.299 28.424 28.738 -0.026 0.000 0.901 199 Q HN 0.441 nan 8.270 nan 0.000 0.422 200 R N 0.060 120.490 120.500 -0.117 0.000 2.057 200 R HA -0.103 4.237 4.340 0.000 0.000 0.229 200 R C 1.677 177.772 176.300 -0.341 0.000 1.136 200 R CA 1.492 57.403 56.100 -0.315 0.000 0.952 200 R CB -0.126 29.838 30.300 -0.560 0.000 0.848 200 R HN 0.173 nan 8.270 nan 0.000 0.430 201 F N 0.357 120.345 119.950 0.064 0.000 2.530 201 F HA 0.362 4.889 4.527 0.000 0.000 0.292 201 F C 1.276 177.039 175.800 -0.060 0.000 1.109 201 F CA -0.004 58.029 58.000 0.056 0.000 1.450 201 F CB 0.151 39.289 39.000 0.230 0.000 1.114 201 F HN 0.136 nan 8.300 nan 0.000 0.560 202 A N 0.000 122.831 122.820 0.018 0.000 2.254 202 A HA 0.000 4.320 4.320 0.000 0.000 0.244 202 A CA 0.000 52.000 52.037 -0.061 0.000 0.836 202 A CB 0.000 18.911 19.000 -0.149 0.000 0.831 202 A HN 0.000 nan 8.150 nan 0.000 0.486