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 3knk_1_W DATA FIRST_RESID 1 DATA SEQUENCE MEAKAIARYV RISPRKVRLV VDLIRGKSLE EARNILRYTN KRGAYFVAKV DATA SEQUENCE LESAAANAVN NHDMLEDRLY VKAAYVDEGP ALKRVLPRAR GRADIIKKRT DATA SEQUENCE SHITVILGEK HGK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.061 0.000 0.988 1 M CB 0.000 32.560 32.600 -0.067 0.000 1.302 2 E N 3.260 123.398 120.200 -0.104 0.000 2.307 2 E HA 0.800 5.150 4.350 0.000 0.000 0.280 2 E C -1.749 174.769 176.600 -0.137 0.000 0.900 2 E CA -1.053 55.309 56.400 -0.063 0.000 0.790 2 E CB 1.623 31.322 29.700 -0.001 0.000 1.261 2 E HN 0.803 nan 8.360 nan 0.000 0.405 3 A N 3.811 126.569 122.820 -0.104 0.000 2.306 3 A HA 0.537 4.857 4.320 0.000 0.000 0.314 3 A C -0.245 177.355 177.584 0.027 0.000 1.164 3 A CA -0.722 51.280 52.037 -0.058 0.000 0.822 3 A CB 0.940 20.020 19.000 0.133 0.000 1.130 3 A HN 0.565 nan 8.150 nan 0.000 0.496 4 K N -0.014 120.415 120.400 0.048 0.000 2.240 4 K HA 0.808 5.128 4.320 0.000 0.000 0.237 4 K C -0.181 176.433 176.600 0.024 0.000 1.027 4 K CA -0.205 56.097 56.287 0.024 0.000 0.937 4 K CB 1.916 34.428 32.500 0.021 0.000 1.171 4 K HN 0.934 nan 8.250 nan 0.000 0.479 5 A N 0.426 123.236 122.820 -0.016 0.000 2.536 5 A HA 0.752 5.072 4.320 0.000 0.000 0.293 5 A C -1.691 175.862 177.584 -0.052 0.000 1.119 5 A CA -0.666 51.357 52.037 -0.023 0.000 0.654 5 A CB 1.348 20.334 19.000 -0.023 0.000 1.291 5 A HN 0.602 nan 8.150 nan 0.000 0.439 6 I N -0.870 119.671 120.570 -0.048 0.000 2.785 6 I HA 0.535 4.705 4.170 0.000 0.000 0.293 6 I C -0.711 175.382 176.117 -0.041 0.000 1.446 6 I CA -0.458 60.807 61.300 -0.059 0.000 1.028 6 I CB 2.245 40.210 38.000 -0.058 0.000 1.349 6 I HN 1.052 nan 8.210 nan 0.000 0.438 7 A N 7.146 129.946 122.820 -0.032 0.000 2.644 7 A HA 0.614 4.934 4.320 0.000 0.000 0.343 7 A C -0.448 177.145 177.584 0.015 0.000 1.324 7 A CA -0.560 51.475 52.037 -0.003 0.000 0.846 7 A CB 0.294 19.299 19.000 0.008 0.000 1.128 7 A HN 0.591 nan 8.150 nan 0.000 0.484 8 R N 0.764 121.266 120.500 0.003 0.000 2.500 8 R HA 0.390 4.730 4.340 0.000 0.000 0.277 8 R C -0.819 175.621 176.300 0.234 0.000 1.026 8 R CA -0.569 55.549 56.100 0.030 0.000 1.058 8 R CB 0.511 30.744 30.300 -0.112 0.000 1.078 8 R HN 0.717 nan 8.270 nan 0.000 0.509 9 Y N 0.165 120.519 120.300 0.090 0.000 2.905 9 Y HA -0.284 4.266 4.550 0.000 0.000 0.159 9 Y C 1.101 177.009 175.900 0.013 0.000 1.680 9 Y CA -0.564 57.599 58.100 0.105 0.000 0.983 9 Y CB -1.119 37.368 38.460 0.045 0.000 1.567 9 Y HN 0.392 nan 8.280 nan 0.000 0.337 10 V N 1.249 121.209 119.914 0.077 0.000 2.521 10 V HA 0.051 4.171 4.120 0.000 0.000 0.239 10 V C 1.547 177.538 176.094 -0.173 0.000 1.053 10 V CA 1.133 63.363 62.300 -0.117 0.000 1.073 10 V CB 0.072 31.726 31.823 -0.282 0.000 0.746 10 V HN 0.773 nan 8.190 nan 0.000 0.476 11 R N 0.005 120.425 120.500 -0.134 0.000 3.107 11 R HA -0.056 4.284 4.340 0.000 0.000 0.269 11 R C -1.049 175.179 176.300 -0.121 0.000 1.085 11 R CA 0.446 56.490 56.100 -0.093 0.000 0.713 11 R CB -1.546 28.735 30.300 -0.030 0.000 1.328 11 R HN 0.562 nan 8.270 nan 0.000 0.389 12 I N -0.931 119.552 120.570 -0.146 0.000 3.102 12 I HA 0.399 4.569 4.170 0.000 0.000 0.310 12 I C -0.745 175.328 176.117 -0.073 0.000 1.246 12 I CA -0.666 60.575 61.300 -0.097 0.000 0.979 12 I CB 2.431 40.334 38.000 -0.162 0.000 1.267 12 I HN 0.094 nan 8.210 nan 0.000 0.451 13 S N 4.665 120.345 115.700 -0.034 0.000 2.438 13 S HA 0.410 4.880 4.470 0.000 0.000 0.293 13 S C -1.901 172.683 174.600 -0.025 0.000 1.141 13 S CA -1.540 56.640 58.200 -0.033 0.000 1.080 13 S CB 1.519 64.707 63.200 -0.019 0.000 0.978 13 S HN 0.415 nan 8.310 nan 0.000 0.479 14 P HA -0.224 nan 4.420 nan 0.000 0.219 14 P C 1.418 178.715 177.300 -0.005 0.000 1.159 14 P CA 1.530 64.616 63.100 -0.024 0.000 0.944 14 P CB 0.089 31.768 31.700 -0.035 0.000 0.792 15 R N -0.479 120.017 120.500 -0.006 0.000 2.133 15 R HA -0.196 4.144 4.340 0.000 0.000 0.247 15 R C 2.198 178.505 176.300 0.011 0.000 1.151 15 R CA 1.588 57.689 56.100 0.002 0.000 0.971 15 R CB -0.345 29.954 30.300 -0.001 0.000 0.866 15 R HN 0.208 nan 8.270 nan 0.000 0.447 16 K N -0.117 120.291 120.400 0.013 0.000 2.097 16 K HA -0.120 4.200 4.320 0.000 0.000 0.206 16 K C 2.099 178.724 176.600 0.040 0.000 1.049 16 K CA 1.747 58.050 56.287 0.027 0.000 0.933 16 K CB -0.126 32.392 32.500 0.030 0.000 0.717 16 K HN 0.279 nan 8.250 nan 0.000 0.442 17 V N -1.837 118.100 119.914 0.038 0.000 2.575 17 V HA -0.002 4.118 4.120 0.000 0.000 0.242 17 V C 2.094 178.214 176.094 0.043 0.000 1.045 17 V CA 0.389 62.720 62.300 0.052 0.000 1.065 17 V CB -0.589 31.266 31.823 0.054 0.000 0.717 17 V HN 0.024 nan 8.190 nan 0.000 0.467 18 R N 0.570 121.089 120.500 0.032 0.000 2.153 18 R HA -0.165 4.175 4.340 0.000 0.000 0.252 18 R C 2.091 178.409 176.300 0.030 0.000 1.158 18 R CA 1.943 58.061 56.100 0.031 0.000 0.975 18 R CB -0.987 29.329 30.300 0.027 0.000 0.871 18 R HN 0.374 nan 8.270 nan 0.000 0.450 19 L N 0.110 121.350 121.223 0.029 0.000 2.270 19 L HA -0.177 4.163 4.340 0.000 0.000 0.217 19 L C 1.954 178.843 176.870 0.032 0.000 1.107 19 L CA 1.431 56.288 54.840 0.028 0.000 0.772 19 L CB -0.584 41.492 42.059 0.029 0.000 0.902 19 L HN 0.063 nan 8.230 nan 0.000 0.439 20 V N -2.218 117.718 119.914 0.038 0.000 2.484 20 V HA -0.044 4.076 4.120 0.000 0.000 0.236 20 V C 2.080 178.191 176.094 0.030 0.000 1.062 20 V CA 0.596 62.920 62.300 0.039 0.000 1.081 20 V CB -0.252 31.604 31.823 0.056 0.000 0.751 20 V HN 0.050 nan 8.190 nan 0.000 0.484 21 V N 1.451 121.383 119.914 0.030 0.000 3.362 21 V HA -0.180 3.940 4.120 0.000 0.000 0.275 21 V C 1.119 177.223 176.094 0.017 0.000 1.208 21 V CA 1.803 64.115 62.300 0.020 0.000 1.195 21 V CB -1.103 30.733 31.823 0.023 0.000 0.843 21 V HN 0.604 nan 8.190 nan 0.000 0.556 22 D N -1.757 118.654 120.400 0.019 0.000 2.469 22 D HA 0.140 4.780 4.640 0.000 0.000 0.213 22 D C 1.529 177.836 176.300 0.011 0.000 1.135 22 D CA -0.162 53.847 54.000 0.015 0.000 0.834 22 D CB 0.714 41.525 40.800 0.018 0.000 1.009 22 D HN 0.244 nan 8.370 nan 0.000 0.507 23 L N 0.730 121.962 121.223 0.014 0.000 2.162 23 L HA 0.144 4.484 4.340 0.000 0.000 0.205 23 L C 1.848 178.723 176.870 0.008 0.000 1.086 23 L CA 1.129 55.978 54.840 0.015 0.000 0.778 23 L CB -0.336 41.736 42.059 0.021 0.000 0.928 23 L HN 0.107 nan 8.230 nan 0.000 0.446 24 I N -3.702 116.870 120.570 0.002 0.000 3.904 24 I HA 0.202 4.372 4.170 0.000 0.000 0.333 24 I C 0.972 177.073 176.117 -0.027 0.000 1.361 24 I CA -0.271 61.025 61.300 -0.008 0.000 1.116 24 I CB -0.212 37.783 38.000 -0.008 0.000 1.028 24 I HN -0.067 nan 8.210 nan 0.000 0.398 25 R N 2.431 122.916 120.500 -0.024 0.000 2.288 25 R HA 0.362 4.702 4.340 0.000 0.000 0.330 25 R C 0.876 177.134 176.300 -0.071 0.000 1.069 25 R CA 0.952 57.026 56.100 -0.044 0.000 0.941 25 R CB 0.121 30.409 30.300 -0.020 0.000 0.998 25 R HN 0.630 nan 8.270 nan 0.000 0.452 26 G N 3.509 112.227 108.800 -0.136 0.000 2.131 26 G HA2 -0.240 3.720 3.960 0.000 0.000 0.223 26 G HA3 -0.240 3.720 3.960 0.000 0.000 0.223 26 G C -0.428 174.398 174.900 -0.123 0.000 0.990 26 G CA 0.109 45.092 45.100 -0.194 0.000 0.671 26 G HN 0.579 nan 8.290 nan 0.000 0.521 27 K N -0.090 120.269 120.400 -0.069 0.000 2.303 27 K HA 0.742 5.062 4.320 0.000 0.000 0.233 27 K C 0.485 177.133 176.600 0.081 0.000 1.046 27 K CA -0.254 56.044 56.287 0.018 0.000 0.895 27 K CB 1.056 33.566 32.500 0.017 0.000 1.220 27 K HN 0.400 nan 8.250 nan 0.000 0.470 28 S N 0.765 116.527 115.700 0.105 0.000 2.537 28 S HA -0.043 4.427 4.470 0.000 0.000 0.286 28 S C 1.151 175.805 174.600 0.090 0.000 1.299 28 S CA -0.631 57.644 58.200 0.124 0.000 1.067 28 S CB 0.186 63.440 63.200 0.089 0.000 0.864 28 S HN 0.626 nan 8.310 nan 0.000 0.494 29 L N 4.255 125.540 121.223 0.103 0.000 2.089 29 L HA -0.079 4.261 4.340 0.000 0.000 0.213 29 L C 2.342 179.237 176.870 0.041 0.000 1.079 29 L CA 2.054 56.934 54.840 0.066 0.000 0.758 29 L CB -1.147 40.953 42.059 0.068 0.000 0.891 29 L HN 0.863 nan 8.230 nan 0.000 0.433 30 E N -0.539 119.688 120.200 0.044 0.000 2.107 30 E HA -0.221 4.129 4.350 0.000 0.000 0.191 30 E C 2.033 178.652 176.600 0.031 0.000 0.982 30 E CA 0.949 57.368 56.400 0.032 0.000 0.809 30 E CB 0.174 29.895 29.700 0.034 0.000 0.756 30 E HN 0.581 nan 8.360 nan 0.000 0.459 31 E N 0.899 121.122 120.200 0.040 0.000 2.023 31 E HA -0.148 4.202 4.350 0.000 0.000 0.196 31 E C 1.886 178.502 176.600 0.027 0.000 1.003 31 E CA 1.691 58.114 56.400 0.038 0.000 0.809 31 E CB -0.449 29.276 29.700 0.043 0.000 0.755 31 E HN 0.200 nan 8.360 nan 0.000 0.449 32 A N 1.074 123.907 122.820 0.021 0.000 1.884 32 A HA -0.303 4.017 4.320 0.000 0.000 0.219 32 A C 2.232 179.810 177.584 -0.009 0.000 1.197 32 A CA 2.286 54.327 52.037 0.006 0.000 0.637 32 A CB -0.744 18.256 19.000 0.002 0.000 0.827 32 A HN 0.277 nan 8.150 nan 0.000 0.450 33 R N -0.552 119.940 120.500 -0.013 0.000 2.119 33 R HA -0.214 4.126 4.340 0.000 0.000 0.246 33 R C 1.999 178.264 176.300 -0.058 0.000 1.146 33 R CA 1.883 57.960 56.100 -0.037 0.000 0.962 33 R CB -0.566 29.718 30.300 -0.027 0.000 0.863 33 R HN 0.676 nan 8.270 nan 0.000 0.442 34 N N 0.433 119.121 118.700 -0.020 0.000 2.109 34 N HA -0.058 4.682 4.740 0.000 0.000 0.188 34 N C 1.851 177.363 175.510 0.003 0.000 1.034 34 N CA 1.005 54.056 53.050 0.001 0.000 0.846 34 N CB -0.132 38.394 38.487 0.066 0.000 1.010 34 N HN 0.099 nan 8.380 nan 0.000 0.425 35 I N 0.730 121.320 120.570 0.033 0.000 2.163 35 I HA -0.252 3.918 4.170 0.000 0.000 0.243 35 I C 1.665 177.788 176.117 0.010 0.000 1.085 35 I CA 1.092 62.425 61.300 0.054 0.000 1.347 35 I CB -0.229 37.797 38.000 0.044 0.000 1.044 35 I HN 0.156 nan 8.210 nan 0.000 0.408 36 L N 0.089 121.293 121.223 -0.031 0.000 2.265 36 L HA -0.196 4.144 4.340 0.000 0.000 0.215 36 L C 2.545 179.340 176.870 -0.124 0.000 1.117 36 L CA 0.728 55.539 54.840 -0.049 0.000 0.782 36 L CB -0.600 41.432 42.059 -0.045 0.000 0.914 36 L HN 0.223 nan 8.230 nan 0.000 0.441 37 R N -0.121 120.226 120.500 -0.255 0.000 2.189 37 R HA -0.160 4.180 4.340 0.000 0.000 0.223 37 R C 1.027 176.882 176.300 -0.742 0.000 1.092 37 R CA 1.592 57.361 56.100 -0.551 0.000 0.989 37 R CB -0.129 29.686 30.300 -0.808 0.000 0.876 37 R HN 0.337 nan 8.270 nan 0.000 0.457 38 Y N -1.794 118.515 120.300 0.014 0.000 2.527 38 Y HA 0.349 4.899 4.550 0.000 0.000 0.247 38 Y C -0.068 175.841 175.900 0.015 0.000 1.138 38 Y CA -0.434 57.674 58.100 0.013 0.000 1.228 38 Y CB 0.310 38.777 38.460 0.011 0.000 1.252 38 Y HN -0.203 nan 8.280 nan 0.000 0.531 39 T N 2.048 116.663 114.554 0.103 0.000 2.840 39 T HA -0.040 4.310 4.350 0.000 0.000 0.276 39 T C 0.289 175.028 174.700 0.065 0.000 0.912 39 T CA -0.253 61.894 62.100 0.078 0.000 1.116 39 T CB -0.536 68.363 68.868 0.053 0.000 0.895 39 T HN 0.125 nan 8.240 nan 0.000 0.570 40 N N 4.647 123.390 118.700 0.072 0.000 2.380 40 N HA -0.023 4.717 4.740 0.000 0.000 0.292 40 N C -0.601 174.936 175.510 0.046 0.000 1.302 40 N CA 0.495 53.579 53.050 0.056 0.000 1.007 40 N CB -0.095 38.424 38.487 0.053 0.000 1.408 40 N HN 0.345 nan 8.380 nan 0.000 0.487 41 K N 2.470 122.898 120.400 0.046 0.000 2.582 41 K HA 0.038 4.358 4.320 0.000 0.000 0.259 41 K C 0.488 177.126 176.600 0.064 0.000 0.973 41 K CA -0.520 55.798 56.287 0.053 0.000 0.880 41 K CB 1.086 33.621 32.500 0.060 0.000 1.310 41 K HN 0.447 nan 8.250 nan 0.000 0.443 42 R N 1.622 122.159 120.500 0.062 0.000 2.189 42 R HA -0.259 4.081 4.340 0.000 0.000 0.252 42 R C 1.648 178.041 176.300 0.155 0.000 1.134 42 R CA 2.845 58.986 56.100 0.069 0.000 0.954 42 R CB -0.580 29.783 30.300 0.104 0.000 0.890 42 R HN 0.850 nan 8.270 nan 0.000 0.443 43 G N -0.500 108.452 108.800 0.253 0.000 2.475 43 G HA2 -0.326 3.634 3.960 0.000 0.000 0.220 43 G HA3 -0.326 3.634 3.960 0.000 0.000 0.220 43 G C 1.499 176.570 174.900 0.284 0.000 1.125 43 G CA 1.118 46.451 45.100 0.388 0.000 0.755 43 G HN 0.611 nan 8.290 nan 0.000 0.565 44 A N 0.698 123.608 122.820 0.150 0.000 1.870 44 A HA -0.248 4.072 4.320 0.000 0.000 0.219 44 A C 2.135 179.766 177.584 0.079 0.000 1.224 44 A CA 2.138 54.228 52.037 0.087 0.000 0.650 44 A CB -1.209 17.819 19.000 0.047 0.000 0.836 44 A HN 0.701 nan 8.150 nan 0.000 0.454 45 Y N -0.381 119.852 120.300 -0.112 0.000 2.073 45 Y HA -0.357 4.193 4.550 0.000 0.000 0.270 45 Y C 1.952 177.743 175.900 -0.182 0.000 1.226 45 Y CA 2.601 60.571 58.100 -0.218 0.000 1.117 45 Y CB -0.676 37.535 38.460 -0.415 0.000 0.939 45 Y HN 0.273 nan 8.280 nan 0.000 0.504 46 F N -0.706 119.348 119.950 0.174 0.000 2.293 46 F HA -0.108 4.419 4.527 0.000 0.000 0.300 46 F C 1.997 177.759 175.800 -0.064 0.000 1.086 46 F CA 1.180 59.199 58.000 0.032 0.000 1.375 46 F CB -0.718 38.362 39.000 0.134 0.000 1.045 46 F HN -0.104 nan 8.300 nan 0.000 0.516 47 V N -0.590 119.404 119.914 0.134 0.000 3.563 47 V HA 0.139 4.259 4.120 0.000 0.000 0.299 47 V C 1.490 177.567 176.094 -0.028 0.000 1.290 47 V CA 0.795 63.124 62.300 0.049 0.000 1.201 47 V CB -1.392 30.463 31.823 0.053 0.000 1.045 47 V HN 0.298 nan 8.190 nan 0.000 0.425 48 A N 0.258 123.019 122.820 -0.099 0.000 2.051 48 A HA 0.168 4.488 4.320 0.000 0.000 0.218 48 A C 2.194 179.698 177.584 -0.135 0.000 1.575 48 A CA 0.253 52.208 52.037 -0.137 0.000 0.700 48 A CB -0.317 18.552 19.000 -0.218 0.000 1.245 48 A HN 0.261 nan 8.150 nan 0.000 0.536 49 K N 0.455 120.730 120.400 -0.208 0.000 2.031 49 K HA -0.256 4.064 4.320 0.000 0.000 0.228 49 K C 1.961 178.515 176.600 -0.077 0.000 1.050 49 K CA 1.785 57.980 56.287 -0.154 0.000 0.980 49 K CB -1.870 30.535 32.500 -0.159 0.000 0.738 49 K HN 0.507 nan 8.250 nan 0.000 0.451 50 V N 2.355 122.241 119.914 -0.047 0.000 2.218 50 V HA -0.275 3.845 4.120 0.000 0.000 0.251 50 V C 2.318 178.389 176.094 -0.039 0.000 1.057 50 V CA 2.390 64.670 62.300 -0.033 0.000 1.022 50 V CB -0.678 31.131 31.823 -0.022 0.000 0.645 50 V HN 0.392 nan 8.190 nan 0.000 0.451 51 L N 0.242 121.441 121.223 -0.040 0.000 1.944 51 L HA -0.240 4.100 4.340 0.000 0.000 0.218 51 L C 2.599 179.451 176.870 -0.030 0.000 1.075 51 L CA 3.083 57.903 54.840 -0.033 0.000 0.767 51 L CB -1.874 40.165 42.059 -0.034 0.000 0.890 51 L HN 0.620 nan 8.230 nan 0.000 0.434 52 E N -0.203 119.971 120.200 -0.044 0.000 2.169 52 E HA -0.242 4.108 4.350 0.000 0.000 0.202 52 E C 2.423 179.004 176.600 -0.032 0.000 1.016 52 E CA 1.804 58.179 56.400 -0.042 0.000 0.817 52 E CB -0.274 29.388 29.700 -0.063 0.000 0.736 52 E HN 0.597 nan 8.360 nan 0.000 0.462 53 S N -1.399 114.280 115.700 -0.035 0.000 2.436 53 S HA 0.073 4.543 4.470 0.000 0.000 0.228 53 S C 1.907 176.499 174.600 -0.012 0.000 1.014 53 S CA 0.850 59.034 58.200 -0.026 0.000 0.950 53 S CB -0.147 63.035 63.200 -0.030 0.000 0.784 53 S HN 0.361 nan 8.310 nan 0.000 0.504 54 A N 1.562 124.376 122.820 -0.010 0.000 1.898 54 A HA 0.316 4.636 4.320 0.000 0.000 0.216 54 A C 2.432 180.031 177.584 0.025 0.000 1.181 54 A CA 1.604 53.645 52.037 0.006 0.000 0.620 54 A CB -1.442 17.555 19.000 -0.004 0.000 0.819 54 A HN 0.717 nan 8.150 nan 0.000 0.442 55 A N 0.421 123.250 122.820 0.016 0.000 1.837 55 A HA 0.175 4.495 4.320 0.000 0.000 0.216 55 A C 2.033 179.633 177.584 0.026 0.000 1.210 55 A CA 1.771 53.823 52.037 0.025 0.000 0.632 55 A CB -1.377 17.630 19.000 0.012 0.000 0.843 55 A HN 1.347 nan 8.150 nan 0.000 0.448 56 A N -0.482 122.343 122.820 0.008 0.000 2.849 56 A HA 0.211 4.531 4.320 0.000 0.000 0.246 56 A C 0.779 178.360 177.584 -0.005 0.000 1.820 56 A CA 0.926 52.963 52.037 -0.001 0.000 1.512 56 A CB -1.240 17.753 19.000 -0.012 0.000 0.884 56 A HN 0.732 nan 8.150 nan 0.000 0.626 57 N N -1.182 117.531 118.700 0.022 0.000 2.357 57 N HA 0.111 4.851 4.740 0.000 0.000 0.260 57 N C 1.830 177.406 175.510 0.111 0.000 1.035 57 N CA 0.505 53.568 53.050 0.021 0.000 0.839 57 N CB 0.028 38.560 38.487 0.076 0.000 1.723 57 N HN 0.389 nan 8.380 nan 0.000 0.617 58 A N 0.955 123.868 122.820 0.155 0.000 1.917 58 A HA -0.093 4.227 4.320 0.000 0.000 0.219 58 A C 2.014 179.669 177.584 0.118 0.000 1.182 58 A CA 1.535 53.677 52.037 0.174 0.000 0.633 58 A CB -0.655 18.404 19.000 0.097 0.000 0.819 58 A HN 0.140 nan 8.150 nan 0.000 0.448 59 V N 0.207 120.154 119.914 0.055 0.000 2.284 59 V HA -0.195 3.925 4.120 0.000 0.000 0.236 59 V C 2.148 178.238 176.094 -0.007 0.000 1.044 59 V CA 1.742 64.056 62.300 0.024 0.000 1.019 59 V CB -1.069 30.761 31.823 0.011 0.000 0.657 59 V HN 0.620 nan 8.190 nan 0.000 0.465 60 N N 0.730 119.413 118.700 -0.030 0.000 2.091 60 N HA -0.233 4.507 4.740 0.000 0.000 0.193 60 N C 1.236 176.689 175.510 -0.095 0.000 1.021 60 N CA 2.054 55.071 53.050 -0.054 0.000 0.862 60 N CB -0.185 38.269 38.487 -0.055 0.000 1.018 60 N HN 0.569 nan 8.380 nan 0.000 0.429 61 N N -1.517 117.072 118.700 -0.186 0.000 2.250 61 N HA 0.081 4.821 4.740 0.000 0.000 0.190 61 N C 0.195 175.484 175.510 -0.367 0.000 1.116 61 N CA 0.141 53.006 53.050 -0.308 0.000 0.881 61 N CB 0.563 38.780 38.487 -0.449 0.000 1.006 61 N HN 0.303 nan 8.380 nan 0.000 0.491 62 H N -0.245 118.825 119.070 -0.001 0.000 3.233 62 H HA 0.106 4.662 4.556 0.000 0.000 0.263 62 H C -1.007 174.321 175.328 -0.001 0.000 1.168 62 H CA -0.645 55.404 56.048 0.001 0.000 1.159 62 H CB 0.286 30.051 29.762 0.005 0.000 1.593 62 H HN 0.181 nan 8.280 nan 0.000 0.580 63 D N 1.001 121.447 120.400 0.076 0.000 3.323 63 D HA -0.262 4.378 4.640 0.000 0.000 0.198 63 D C 0.230 176.562 176.300 0.054 0.000 1.187 63 D CA 0.587 54.614 54.000 0.046 0.000 0.932 63 D CB -0.562 40.253 40.800 0.026 0.000 0.814 63 D HN 0.473 nan 8.370 nan 0.000 0.397 64 M N 1.395 121.026 119.600 0.052 0.000 2.327 64 M HA 0.244 4.724 4.480 0.000 0.000 0.365 64 M C 0.166 176.475 176.300 0.015 0.000 0.992 64 M CA -0.626 54.695 55.300 0.036 0.000 0.985 64 M CB 0.835 33.467 32.600 0.052 0.000 1.673 64 M HN 0.474 nan 8.290 nan 0.000 0.586 65 L N 1.807 123.037 121.223 0.013 0.000 2.443 65 L HA -0.191 4.149 4.340 0.000 0.000 0.645 65 L C 0.853 177.727 176.870 0.006 0.000 1.007 65 L CA -0.161 54.680 54.840 0.002 0.000 1.350 65 L CB -0.015 42.036 42.059 -0.013 0.000 2.011 65 L HN 0.451 nan 8.230 nan 0.000 0.954 66 E N 1.568 121.773 120.200 0.009 0.000 2.253 66 E HA -0.269 4.081 4.350 0.000 0.000 0.202 66 E C 1.197 177.805 176.600 0.013 0.000 1.014 66 E CA 2.191 58.599 56.400 0.013 0.000 0.823 66 E CB 0.206 29.912 29.700 0.009 0.000 0.736 66 E HN 0.749 nan 8.360 nan 0.000 0.478 67 D N -0.419 119.984 120.400 0.004 0.000 2.144 67 D HA -0.037 4.603 4.640 0.000 0.000 0.207 67 D C 0.715 177.015 176.300 0.000 0.000 0.970 67 D CA 0.449 54.451 54.000 0.004 0.000 0.853 67 D CB 0.180 40.978 40.800 -0.004 0.000 1.007 67 D HN 0.012 nan 8.370 nan 0.000 0.469 68 R N 1.218 121.706 120.500 -0.021 0.000 4.980 68 R HA 0.160 4.500 4.340 0.000 0.000 0.190 68 R C -0.196 176.084 176.300 -0.034 0.000 2.095 68 R CA 0.126 56.198 56.100 -0.046 0.000 1.717 68 R CB -0.927 29.322 30.300 -0.086 0.000 1.337 68 R HN 0.284 nan 8.270 nan 0.000 0.820 69 L N 1.126 122.359 121.223 0.017 0.000 2.346 69 L HA 0.555 4.895 4.340 0.000 0.000 0.274 69 L C -0.136 176.845 176.870 0.184 0.000 1.007 69 L CA -1.168 53.720 54.840 0.079 0.000 0.818 69 L CB 1.744 43.850 42.059 0.079 0.000 1.284 69 L HN 0.284 nan 8.230 nan 0.000 0.424 70 Y N -0.113 120.204 120.300 0.028 0.000 2.705 70 Y HA 0.631 5.181 4.550 0.000 0.000 0.332 70 Y C -1.105 174.807 175.900 0.019 0.000 1.221 70 Y CA -1.544 56.571 58.100 0.025 0.000 1.059 70 Y CB 1.592 40.071 38.460 0.031 0.000 1.298 70 Y HN 0.090 nan 8.280 nan 0.000 0.459 71 V N 2.831 122.653 119.914 -0.154 0.000 2.356 71 V HA 0.107 4.227 4.120 0.000 0.000 0.258 71 V C 0.770 176.530 176.094 -0.557 0.000 1.065 71 V CA -0.238 61.912 62.300 -0.251 0.000 0.935 71 V CB 0.378 32.110 31.823 -0.151 0.000 1.061 71 V HN 0.824 nan 8.190 nan 0.000 0.484 72 K N 4.100 124.252 120.400 -0.413 0.000 2.103 72 K HA 0.286 4.606 4.320 0.000 0.000 0.204 72 K C 0.567 177.067 176.600 -0.168 0.000 1.052 72 K CA 1.335 57.412 56.287 -0.349 0.000 0.945 72 K CB 0.221 32.707 32.500 -0.024 0.000 0.722 72 K HN 0.901 nan 8.250 nan 0.000 0.443 73 A N -0.826 121.943 122.820 -0.085 0.000 2.549 73 A HA 0.639 4.959 4.320 0.000 0.000 0.306 73 A C -1.284 176.328 177.584 0.046 0.000 1.053 73 A CA -0.444 51.596 52.037 0.005 0.000 0.892 73 A CB 0.420 19.459 19.000 0.065 0.000 1.329 73 A HN 0.253 nan 8.150 nan 0.000 0.388 74 A N 1.436 124.292 122.820 0.061 0.000 2.344 74 A HA 1.136 5.456 4.320 0.000 0.000 0.307 74 A C -0.793 176.910 177.584 0.199 0.000 1.151 74 A CA -0.216 51.835 52.037 0.023 0.000 0.842 74 A CB 1.152 20.140 19.000 -0.020 0.000 1.350 74 A HN 2.259 nan 8.150 nan 0.000 0.459 75 Y N -3.184 117.115 120.300 -0.001 0.000 2.365 75 Y HA 0.467 5.017 4.550 0.000 0.000 0.327 75 Y C -1.615 174.294 175.900 0.015 0.000 1.356 75 Y CA -1.015 57.087 58.100 0.004 0.000 1.331 75 Y CB 0.118 38.579 38.460 0.002 0.000 1.298 75 Y HN 1.026 nan 8.280 nan 0.000 0.456 76 V N 3.684 123.703 119.914 0.174 0.000 2.495 76 V HA 0.703 4.823 4.120 0.000 0.000 0.298 76 V C -1.282 174.887 176.094 0.124 0.000 1.031 76 V CA -0.119 62.243 62.300 0.102 0.000 0.871 76 V CB 1.580 33.429 31.823 0.043 0.000 0.988 76 V HN 0.856 nan 8.190 nan 0.000 0.432 77 D N 3.912 124.383 120.400 0.118 0.000 2.272 77 D HA 0.401 5.041 4.640 0.000 0.000 0.247 77 D C -0.440 175.807 176.300 -0.088 0.000 0.990 77 D CA -0.267 53.761 54.000 0.047 0.000 0.931 77 D CB 1.667 42.528 40.800 0.102 0.000 1.195 77 D HN 0.779 nan 8.370 nan 0.000 0.477 78 E N -0.264 119.856 120.200 -0.133 0.000 2.343 78 E HA 0.562 4.912 4.350 0.000 0.000 0.269 78 E C -0.425 175.948 176.600 -0.380 0.000 1.047 78 E CA -0.606 55.676 56.400 -0.198 0.000 0.874 78 E CB 0.793 30.416 29.700 -0.128 0.000 1.033 78 E HN 0.491 nan 8.360 nan 0.000 0.409 79 G N 2.894 111.436 108.800 -0.429 0.000 2.630 79 G HA2 0.381 4.341 3.960 0.000 0.000 0.296 79 G HA3 0.381 4.341 3.960 0.000 0.000 0.296 79 G C -2.519 172.181 174.900 -0.333 0.000 1.285 79 G CA -1.576 43.177 45.100 -0.579 0.000 0.958 79 G HN 0.524 nan 8.290 nan 0.000 0.479 80 P HA 0.053 nan 4.420 nan 0.000 0.235 80 P C 0.543 177.744 177.300 -0.166 0.000 1.068 80 P CA 0.470 63.444 63.100 -0.211 0.000 0.934 80 P CB -0.256 31.297 31.700 -0.244 0.000 0.863 81 A N 4.865 127.613 122.820 -0.120 0.000 2.386 81 A HA 0.367 4.687 4.320 0.000 0.000 0.246 81 A C 0.371 177.920 177.584 -0.058 0.000 1.089 81 A CA -0.292 51.693 52.037 -0.085 0.000 0.790 81 A CB 0.170 19.128 19.000 -0.069 0.000 1.042 81 A HN 0.566 nan 8.150 nan 0.000 0.497 82 L N 1.300 122.498 121.223 -0.041 0.000 2.318 82 L HA 0.305 4.645 4.340 0.000 0.000 0.277 82 L C -0.419 176.440 176.870 -0.019 0.000 1.008 82 L CA -0.437 54.389 54.840 -0.023 0.000 0.846 82 L CB 1.288 43.340 42.059 -0.012 0.000 1.220 82 L HN 0.699 nan 8.230 nan 0.000 0.423 83 K N 4.001 124.391 120.400 -0.016 0.000 2.297 83 K HA 0.455 4.775 4.320 0.000 0.000 0.286 83 K C -0.353 176.242 176.600 -0.008 0.000 1.053 83 K CA -0.721 55.558 56.287 -0.013 0.000 0.940 83 K CB 1.101 33.593 32.500 -0.013 0.000 1.019 83 K HN 0.374 nan 8.250 nan 0.000 0.475 84 R N 1.334 121.830 120.500 -0.007 0.000 2.758 84 R HA 0.432 4.772 4.340 0.000 0.000 0.265 84 R C -0.176 176.122 176.300 -0.003 0.000 1.016 84 R CA -0.964 55.133 56.100 -0.004 0.000 1.040 84 R CB 1.533 31.832 30.300 -0.002 0.000 1.152 84 R HN 0.364 nan 8.270 nan 0.000 0.503 85 V N 1.240 121.153 119.914 -0.002 0.000 3.234 85 V HA 0.540 4.660 4.120 0.000 0.000 0.317 85 V C -0.956 175.137 176.094 -0.001 0.000 1.081 85 V CA -0.655 61.644 62.300 -0.002 0.000 1.037 85 V CB 1.667 33.489 31.823 -0.001 0.000 1.148 85 V HN 0.574 nan 8.190 nan 0.000 0.453 86 L N 5.164 126.386 121.223 -0.001 0.000 2.949 86 L HA 0.537 4.877 4.340 0.000 0.000 0.258 86 L C -2.960 173.909 176.870 -0.001 0.000 0.941 86 L CA -1.071 53.769 54.840 -0.001 0.000 1.053 86 L CB 2.039 44.097 42.059 -0.002 0.000 1.550 86 L HN 0.482 nan 8.230 nan 0.000 0.493 87 P HA 0.384 nan 4.420 nan 0.000 0.271 87 P C -0.999 176.300 177.300 -0.001 0.000 1.216 87 P CA -0.152 62.947 63.100 -0.000 0.000 0.776 87 P CB 1.221 32.921 31.700 -0.000 0.000 0.881 88 R N 1.043 121.543 120.500 -0.001 0.000 2.987 88 R HA 0.711 5.051 4.340 0.000 0.000 0.248 88 R C -0.202 176.098 176.300 -0.001 0.000 1.264 88 R CA -1.228 54.872 56.100 -0.001 0.000 1.026 88 R CB 0.389 30.688 30.300 -0.001 0.000 1.286 88 R HN 0.544 nan 8.270 nan 0.000 0.483 89 A N 1.085 123.904 122.820 -0.001 0.000 2.386 89 A HA 0.345 4.665 4.320 0.000 0.000 0.248 89 A C -0.118 177.466 177.584 -0.001 0.000 1.082 89 A CA -0.096 51.941 52.037 -0.000 0.000 0.789 89 A CB 0.091 19.091 19.000 -0.000 0.000 1.025 89 A HN 0.607 nan 8.150 nan 0.000 0.490 90 R N 0.258 120.758 120.500 -0.000 0.000 2.994 90 R HA -0.168 4.172 4.340 0.000 0.000 0.267 90 R C 0.843 177.143 176.300 -0.001 0.000 0.914 90 R CA 0.761 56.861 56.100 -0.001 0.000 0.668 90 R CB -2.370 27.930 30.300 -0.001 0.000 1.524 90 R HN 2.340 nan 8.270 nan 0.000 0.478 91 G N 1.019 109.819 108.800 -0.000 0.000 2.467 91 G HA2 -0.391 3.569 3.960 0.000 0.000 0.302 91 G HA3 -0.391 3.569 3.960 0.000 0.000 0.302 91 G C 1.138 176.037 174.900 -0.001 0.000 0.930 91 G CA 1.256 46.355 45.100 -0.000 0.000 1.008 91 G HN 0.658 nan 8.290 nan 0.000 0.512 92 R N 0.612 121.111 120.500 -0.001 0.000 2.060 92 R HA 0.409 4.749 4.340 0.000 0.000 0.218 92 R C 1.568 177.867 176.300 -0.001 0.000 1.200 92 R CA 1.066 57.165 56.100 -0.001 0.000 0.935 92 R CB -0.239 30.061 30.300 -0.001 0.000 0.814 92 R HN 1.632 nan 8.270 nan 0.000 0.460 93 A N 2.061 124.880 122.820 -0.001 0.000 2.102 93 A HA -0.100 4.220 4.320 0.000 0.000 0.249 93 A C -1.140 176.443 177.584 -0.002 0.000 1.348 93 A CA 0.281 52.317 52.037 -0.001 0.000 0.694 93 A CB -1.545 17.454 19.000 -0.001 0.000 1.175 93 A HN 0.506 nan 8.150 nan 0.000 0.287 94 D N 0.221 120.620 120.400 -0.002 0.000 2.387 94 D HA 0.643 5.283 4.640 0.000 0.000 0.251 94 D C 1.044 177.342 176.300 -0.004 0.000 1.141 94 D CA 0.604 54.602 54.000 -0.003 0.000 0.987 94 D CB 0.835 41.633 40.800 -0.003 0.000 1.116 94 D HN 1.172 nan 8.370 nan 0.000 0.491 95 I N -0.645 119.922 120.570 -0.005 0.000 2.428 95 I HA 0.435 4.605 4.170 0.000 0.000 0.279 95 I C -0.525 175.587 176.117 -0.007 0.000 1.040 95 I CA -0.942 60.354 61.300 -0.006 0.000 1.171 95 I CB 0.807 38.803 38.000 -0.007 0.000 1.312 95 I HN 0.139 nan 8.210 nan 0.000 0.470 96 I N 5.674 126.240 120.570 -0.006 0.000 2.638 96 I HA 0.352 4.522 4.170 0.000 0.000 0.286 96 I C -0.503 175.608 176.117 -0.010 0.000 1.088 96 I CA 0.370 61.666 61.300 -0.007 0.000 1.397 96 I CB 0.602 38.599 38.000 -0.005 0.000 1.414 96 I HN 0.608 nan 8.210 nan 0.000 0.566 97 K N 6.075 126.467 120.400 -0.013 0.000 2.507 97 K HA 0.351 4.671 4.320 0.000 0.000 0.252 97 K C -1.189 175.399 176.600 -0.020 0.000 0.943 97 K CA -1.007 55.270 56.287 -0.017 0.000 0.808 97 K CB 1.502 33.988 32.500 -0.022 0.000 1.142 97 K HN 0.401 nan 8.250 nan 0.000 0.426 98 K N 4.068 124.456 120.400 -0.020 0.000 2.278 98 K HA 0.168 4.488 4.320 0.000 0.000 0.289 98 K C 0.243 176.821 176.600 -0.037 0.000 1.080 98 K CA 0.000 56.274 56.287 -0.022 0.000 0.934 98 K CB 0.355 32.846 32.500 -0.015 0.000 1.093 98 K HN 0.400 nan 8.250 nan 0.000 0.459 99 R N 0.590 121.065 120.500 -0.042 0.000 2.577 99 R HA 0.324 4.664 4.340 0.000 0.000 0.269 99 R C 0.687 176.943 176.300 -0.073 0.000 1.084 99 R CA -0.197 55.866 56.100 -0.061 0.000 1.163 99 R CB 0.955 31.221 30.300 -0.056 0.000 1.100 99 R HN 0.521 nan 8.270 nan 0.000 0.547 100 T N -0.887 113.605 114.554 -0.103 0.000 2.696 100 T HA 0.517 4.867 4.350 0.000 0.000 0.291 100 T C -1.090 173.528 174.700 -0.137 0.000 1.095 100 T CA -0.515 61.517 62.100 -0.113 0.000 1.026 100 T CB 1.701 70.506 68.868 -0.104 0.000 1.390 100 T HN 0.478 nan 8.240 nan 0.000 0.513 101 S N -0.392 115.241 115.700 -0.112 0.000 2.627 101 S HA 0.560 5.030 4.470 0.000 0.000 0.283 101 S C -1.732 172.916 174.600 0.081 0.000 1.127 101 S CA -0.695 57.453 58.200 -0.086 0.000 0.863 101 S CB 1.228 64.386 63.200 -0.070 0.000 1.121 101 S HN 0.729 nan 8.310 nan 0.000 0.479 102 H N 0.622 119.675 119.070 -0.029 0.000 2.539 102 H HA 0.531 5.087 4.556 0.000 0.000 0.332 102 H C -0.935 174.382 175.328 -0.019 0.000 1.031 102 H CA -0.557 55.495 56.048 0.007 0.000 1.206 102 H CB 1.022 30.806 29.762 0.037 0.000 1.446 102 H HN 0.317 nan 8.280 nan 0.000 0.496 103 I N 2.871 123.481 120.570 0.066 0.000 2.433 103 I HA 0.249 4.419 4.170 0.000 0.000 0.292 103 I C -0.200 175.847 176.117 -0.117 0.000 1.001 103 I CA -0.317 60.969 61.300 -0.023 0.000 1.119 103 I CB 2.055 40.047 38.000 -0.014 0.000 1.289 103 I HN 0.494 nan 8.210 nan 0.000 0.438 104 T N 5.404 119.798 114.554 -0.266 0.000 2.879 104 T HA 0.553 4.903 4.350 0.000 0.000 0.290 104 T C -0.709 173.756 174.700 -0.390 0.000 0.993 104 T CA -0.431 61.412 62.100 -0.429 0.000 0.975 104 T CB 1.853 70.193 68.868 -0.880 0.000 0.981 104 T HN 0.192 nan 8.240 nan 0.000 0.439 105 V N 5.443 125.223 119.914 -0.222 0.000 2.588 105 V HA 0.597 4.717 4.120 0.000 0.000 0.304 105 V C -0.302 175.739 176.094 -0.089 0.000 1.042 105 V CA -1.005 61.215 62.300 -0.134 0.000 0.877 105 V CB 1.729 33.505 31.823 -0.078 0.000 0.996 105 V HN 0.861 nan 8.190 nan 0.000 0.425 106 I N 2.825 123.362 120.570 -0.055 0.000 2.466 106 I HA 0.534 4.704 4.170 0.000 0.000 0.279 106 I C -1.139 174.981 176.117 0.005 0.000 1.033 106 I CA -0.778 60.514 61.300 -0.012 0.000 1.123 106 I CB 1.320 39.328 38.000 0.014 0.000 1.237 106 I HN 0.260 nan 8.210 nan 0.000 0.460 107 L N 5.633 126.873 121.223 0.029 0.000 2.367 107 L HA 0.655 4.995 4.340 0.000 0.000 0.275 107 L C 0.926 177.879 176.870 0.138 0.000 1.129 107 L CA 0.425 55.313 54.840 0.080 0.000 0.839 107 L CB 0.703 42.812 42.059 0.084 0.000 1.133 107 L HN 0.778 nan 8.230 nan 0.000 0.453 108 G N 1.684 110.661 108.800 0.295 0.000 2.644 108 G HA2 0.516 4.476 3.960 0.000 0.000 0.307 108 G HA3 0.516 4.476 3.960 0.000 0.000 0.307 108 G C -0.216 174.848 174.900 0.274 0.000 1.250 108 G CA -0.510 44.789 45.100 0.331 0.000 0.996 108 G HN 0.447 nan 8.290 nan 0.000 0.489 109 E N -0.516 119.715 120.200 0.051 0.000 2.718 109 E HA 0.072 4.422 4.350 0.000 0.000 0.263 109 E C 0.820 177.155 176.600 -0.442 0.000 1.434 109 E CA -0.048 56.280 56.400 -0.120 0.000 1.106 109 E CB 0.572 30.224 29.700 -0.080 0.000 1.029 109 E HN 0.345 nan 8.360 nan 0.000 0.631 110 K N -0.764 119.464 120.400 -0.288 0.000 2.107 110 K HA -0.019 4.301 4.320 0.000 0.000 0.211 110 K C 1.230 177.888 176.600 0.096 0.000 1.024 110 K CA 1.686 57.856 56.287 -0.194 0.000 0.953 110 K CB 0.184 32.630 32.500 -0.091 0.000 0.831 110 K HN 0.602 nan 8.250 nan 0.000 0.454 111 H N -5.569 113.388 119.070 -0.188 0.000 1.817 111 H HA 0.145 4.701 4.556 0.000 0.000 0.115 111 H C 0.069 175.352 175.328 -0.076 0.000 1.278 111 H CA 0.263 56.241 56.048 -0.117 0.000 0.496 111 H CB -0.037 29.669 29.762 -0.093 0.000 0.335 111 H HN 0.285 nan 8.280 nan 0.000 0.206 112 G N 1.870 110.317 108.800 -0.588 0.000 2.327 112 G HA2 0.414 4.374 3.960 0.000 0.000 0.234 112 G HA3 0.414 4.374 3.960 0.000 0.000 0.234 112 G C 0.179 174.914 174.900 -0.274 0.000 1.884 112 G CA 0.740 45.633 45.100 -0.345 0.000 1.132 112 G HN 0.707 nan 8.290 nan 0.000 0.633 113 K N 0.000 120.172 120.400 -0.379 0.000 2.780 113 K HA 0.000 4.320 4.320 0.000 0.000 0.191 113 K CA 0.000 56.212 56.287 -0.124 0.000 0.838 113 K CB 0.000 32.442 32.500 -0.097 0.000 1.064 113 K HN 0.000 nan 8.250 nan 0.000 0.543