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 3n1u_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLNTEIEXNE LLEKAKKIKC LICDVDGVLS DGLLHIDNHG NELKSFHVQD DATA SEQUENCE GXGLKLLXAA GIQVAIITTA QNAVVDHRXE QLGITHYYKG QVDKRSAYQH DATA SEQUENCE LKKTLGLNDD EFAYIGDDLP DLPLIQQVGL GVAVSNAVPQ VLEFADWRTE DATA SEQUENCE RTGGRGAVRE LCDLILNAQN KAELAITGYL KQ 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.006 0.000 1.055 2 S CA 0.000 58.204 58.200 0.006 0.000 1.107 2 S CB 0.000 63.204 63.200 0.006 0.000 0.593 3 L N 1.868 123.094 121.223 0.005 0.000 2.013 3 L HA -0.026 4.330 4.340 0.025 0.000 0.212 3 L C 1.872 178.745 176.870 0.005 0.000 1.073 3 L CA 2.514 57.357 54.840 0.004 0.000 0.753 3 L CB -1.483 40.578 42.059 0.003 0.000 0.890 3 L HN 0.768 nan 8.230 nan 0.000 0.432 4 N N -0.566 118.138 118.700 0.006 0.000 2.166 4 N HA -0.152 4.603 4.740 0.025 0.000 0.186 4 N C 1.863 177.380 175.510 0.012 0.000 1.019 4 N CA 1.969 55.024 53.050 0.008 0.000 0.856 4 N CB -0.838 37.654 38.487 0.008 0.000 0.993 4 N HN 0.693 nan 8.380 nan 0.000 0.426 5 T N -0.915 113.647 114.554 0.013 0.000 2.867 5 T HA -0.007 4.358 4.350 0.025 0.000 0.268 5 T C 1.503 176.212 174.700 0.014 0.000 1.057 5 T CA 0.772 62.883 62.100 0.019 0.000 1.136 5 T CB -0.051 68.830 68.868 0.021 0.000 0.874 5 T HN 0.044 nan 8.240 nan 0.000 0.466 6 E N 1.581 121.786 120.200 0.008 0.000 2.031 6 E HA -0.043 4.322 4.350 0.025 0.000 0.193 6 E C 2.430 179.029 176.600 -0.001 0.000 0.994 6 E CA 0.883 57.284 56.400 0.002 0.000 0.800 6 E CB -0.410 29.291 29.700 0.001 0.000 0.752 6 E HN 0.448 nan 8.360 nan 0.000 0.447 7 I N 1.653 122.224 120.570 0.002 0.000 2.118 7 I HA -0.219 3.966 4.170 0.025 0.000 0.241 7 I C 1.361 177.479 176.117 0.001 0.000 1.070 7 I CA 1.120 62.421 61.300 0.001 0.000 1.327 7 I CB -1.129 36.873 38.000 0.004 0.000 1.034 7 I HN 0.128 nan 8.210 nan 0.000 0.405 11 E N 0.575 120.759 120.200 -0.027 0.000 2.110 11 E HA -0.108 4.257 4.350 0.025 0.000 0.193 11 E C 1.554 178.130 176.600 -0.041 0.000 0.988 11 E CA 1.087 57.474 56.400 -0.022 0.000 0.804 11 E CB 0.114 29.811 29.700 -0.005 0.000 0.745 11 E HN 0.219 nan 8.360 nan 0.000 0.458 12 L N 0.775 121.957 121.223 -0.068 0.000 2.027 12 L HA -0.138 4.218 4.340 0.025 0.000 0.206 12 L C 1.971 178.749 176.870 -0.154 0.000 1.074 12 L CA 1.494 56.254 54.840 -0.132 0.000 0.745 12 L CB -0.274 41.652 42.059 -0.222 0.000 0.898 12 L HN 0.112 nan 8.230 nan 0.000 0.433 13 L N -0.511 120.631 121.223 -0.135 0.000 2.042 13 L HA -0.188 4.167 4.340 0.025 0.000 0.210 13 L C 2.689 179.511 176.870 -0.080 0.000 1.076 13 L CA 1.171 55.941 54.840 -0.116 0.000 0.749 13 L CB -0.777 41.228 42.059 -0.089 0.000 0.893 13 L HN 0.330 nan 8.230 nan 0.000 0.432 14 E N 0.548 120.713 120.200 -0.058 0.000 2.110 14 E HA -0.206 4.159 4.350 0.025 0.000 0.193 14 E C 2.110 178.689 176.600 -0.035 0.000 0.988 14 E CA 1.151 57.528 56.400 -0.039 0.000 0.804 14 E CB -0.134 29.550 29.700 -0.026 0.000 0.745 14 E HN 0.511 nan 8.360 nan 0.000 0.458 15 K N 0.702 121.079 120.400 -0.038 0.000 2.032 15 K HA -0.083 4.252 4.320 0.025 0.000 0.209 15 K C 2.176 178.756 176.600 -0.033 0.000 1.048 15 K CA 1.389 57.662 56.287 -0.023 0.000 0.927 15 K CB -0.182 32.309 32.500 -0.014 0.000 0.712 15 K HN 0.055 nan 8.250 nan 0.000 0.441 16 A N 1.700 124.479 122.820 -0.068 0.000 1.969 16 A HA -0.141 4.195 4.320 0.025 0.000 0.218 16 A C 1.801 179.353 177.584 -0.054 0.000 1.169 16 A CA 1.252 53.245 52.037 -0.073 0.000 0.635 16 A CB -0.236 18.684 19.000 -0.133 0.000 0.810 16 A HN 0.184 nan 8.150 nan 0.000 0.445 17 K N -0.191 120.178 120.400 -0.051 0.000 2.280 17 K HA -0.117 4.218 4.320 0.025 0.000 0.202 17 K C 1.493 178.073 176.600 -0.034 0.000 1.047 17 K CA 1.460 57.723 56.287 -0.041 0.000 0.942 17 K CB -0.083 32.395 32.500 -0.036 0.000 0.739 17 K HN 0.426 nan 8.250 nan 0.000 0.457 18 K N 0.177 120.559 120.400 -0.030 0.000 2.426 18 K HA 0.085 4.420 4.320 0.025 0.000 0.193 18 K C 0.085 176.659 176.600 -0.043 0.000 1.028 18 K CA 0.028 56.297 56.287 -0.030 0.000 1.047 18 K CB 0.412 32.902 32.500 -0.017 0.000 0.821 18 K HN -0.025 nan 8.250 nan 0.000 0.513 19 I N 2.084 122.631 120.570 -0.038 0.000 2.517 19 I HA -0.026 4.159 4.170 0.025 0.000 0.285 19 I C 0.897 176.970 176.117 -0.072 0.000 1.106 19 I CA 0.786 62.060 61.300 -0.044 0.000 1.402 19 I CB 0.839 38.832 38.000 -0.012 0.000 1.399 19 I HN 0.085 nan 8.210 nan 0.000 0.535 20 K N 3.549 123.869 120.400 -0.135 0.000 2.402 20 K HA 0.184 4.519 4.320 0.025 0.000 0.203 20 K C -0.162 176.339 176.600 -0.166 0.000 1.077 20 K CA 0.187 56.385 56.287 -0.149 0.000 1.051 20 K CB 0.770 33.158 32.500 -0.187 0.000 0.907 20 K HN 0.641 nan 8.250 nan 0.000 0.554 21 C N 1.306 120.497 119.300 -0.183 0.000 2.752 21 C HA 0.476 4.952 4.460 0.025 0.000 0.360 21 C C -1.738 173.307 174.990 0.092 0.000 1.081 21 C CA -1.179 57.800 59.018 -0.065 0.000 1.272 21 C CB 0.456 28.110 27.740 -0.143 0.000 1.754 21 C HN 0.288 nan 8.230 nan 0.000 0.483 22 L N 7.189 128.480 121.223 0.114 0.000 2.275 22 L HA 0.748 5.103 4.340 0.025 0.000 0.288 22 L C -0.569 176.397 176.870 0.159 0.000 1.046 22 L CA 0.055 54.979 54.840 0.141 0.000 0.805 22 L CB 0.904 43.013 42.059 0.084 0.000 1.193 22 L HN 0.641 nan 8.230 nan 0.000 0.426 23 I N 4.664 125.326 120.570 0.154 0.000 2.377 23 I HA 0.399 4.584 4.170 0.025 0.000 0.293 23 I C -0.679 175.303 176.117 -0.226 0.000 0.987 23 I CA -0.439 60.897 61.300 0.061 0.000 1.185 23 I CB 1.399 39.503 38.000 0.174 0.000 1.341 23 I HN 0.540 nan 8.210 nan 0.000 0.455 24 C N 3.717 122.916 119.300 -0.168 0.000 2.456 24 C HA 0.412 4.887 4.460 0.025 0.000 0.325 24 C C 0.189 175.061 174.990 -0.196 0.000 1.217 24 C CA -0.514 58.369 59.018 -0.225 0.000 1.687 24 C CB 1.346 29.051 27.740 -0.058 0.000 2.270 24 C HN 0.705 nan 8.230 nan 0.000 0.499 25 D N 0.622 120.895 120.400 -0.212 0.000 2.358 25 D HA 0.379 5.034 4.640 0.025 0.000 0.244 25 D C 0.676 177.003 176.300 0.044 0.000 1.163 25 D CA -0.225 53.767 54.000 -0.014 0.000 0.945 25 D CB 1.087 41.915 40.800 0.046 0.000 1.152 25 D HN 0.204 nan 8.370 nan 0.000 0.451 26 V N 0.686 120.655 119.914 0.092 0.000 2.465 26 V HA 0.036 4.171 4.120 0.025 0.000 0.230 26 V C 0.396 176.544 176.094 0.090 0.000 1.084 26 V CA 0.658 63.039 62.300 0.135 0.000 1.092 26 V CB -0.390 31.538 31.823 0.175 0.000 0.730 26 V HN 0.596 nan 8.190 nan 0.000 0.491 27 D N 0.661 121.095 120.400 0.056 0.000 2.371 27 D HA 0.362 5.018 4.640 0.025 0.000 0.256 27 D C 1.036 177.334 176.300 -0.004 0.000 1.193 27 D CA 1.358 55.358 54.000 -0.001 0.000 0.881 27 D CB 1.105 41.901 40.800 -0.006 0.000 1.143 27 D HN 0.625 nan 8.370 nan 0.000 0.473 28 G N 1.299 110.082 108.800 -0.028 0.000 2.213 28 G HA2 -0.291 3.684 3.960 0.025 0.000 0.236 28 G HA3 -0.291 3.684 3.960 0.025 0.000 0.236 28 G C 0.812 175.710 174.900 -0.004 0.000 0.991 28 G CA 0.280 45.370 45.100 -0.018 0.000 0.629 28 G HN 0.478 nan 8.290 nan 0.000 0.517 29 V N -0.054 119.867 119.914 0.012 0.000 3.134 29 V HA 0.362 4.497 4.120 0.025 0.000 0.222 29 V C 2.335 178.456 176.094 0.045 0.000 1.247 29 V CA 1.141 63.453 62.300 0.020 0.000 1.281 29 V CB -0.152 31.681 31.823 0.017 0.000 1.169 29 V HN 0.190 nan 8.190 nan 0.000 0.512 30 L N 1.175 122.453 121.223 0.091 0.000 2.418 30 L HA 0.148 4.503 4.340 0.025 0.000 0.218 30 L C 1.180 178.136 176.870 0.144 0.000 1.125 30 L CA 0.719 55.671 54.840 0.187 0.000 0.835 30 L CB 0.044 42.288 42.059 0.309 0.000 0.953 30 L HN 0.502 nan 8.230 nan 0.000 0.454 31 S N -2.124 113.566 115.700 -0.018 0.000 2.726 31 S HA 0.197 4.682 4.470 0.025 0.000 0.308 31 S C 0.416 174.968 174.600 -0.079 0.000 1.115 31 S CA -0.493 57.613 58.200 -0.157 0.000 0.965 31 S CB 1.520 64.526 63.200 -0.323 0.000 1.145 31 S HN 0.181 nan 8.310 nan 0.000 0.532 32 D N -0.529 119.821 120.400 -0.083 0.000 2.378 32 D HA 0.204 4.859 4.640 0.025 0.000 0.222 32 D C 1.468 177.728 176.300 -0.067 0.000 0.980 32 D CA 1.020 54.989 54.000 -0.052 0.000 0.907 32 D CB -0.739 40.043 40.800 -0.029 0.000 0.899 32 D HN 1.250 nan 8.370 nan 0.000 0.527 33 G N -0.618 108.124 108.800 -0.098 0.000 2.213 33 G HA2 -0.238 3.738 3.960 0.025 0.000 0.226 33 G HA3 -0.238 3.738 3.960 0.025 0.000 0.226 33 G C 0.060 174.880 174.900 -0.132 0.000 0.992 33 G CA 0.059 45.105 45.100 -0.091 0.000 0.632 33 G HN 0.377 nan 8.290 nan 0.000 0.511 34 L N 1.022 122.127 121.223 -0.197 0.000 2.375 34 L HA 0.646 5.001 4.340 0.025 0.000 0.271 34 L C 0.497 177.102 176.870 -0.442 0.000 1.107 34 L CA -0.692 53.969 54.840 -0.298 0.000 0.806 34 L CB 1.232 43.089 42.059 -0.336 0.000 1.146 34 L HN 0.055 nan 8.230 nan 0.000 0.447 35 L N 3.148 124.150 121.223 -0.368 0.000 2.316 35 L HA 0.390 4.745 4.340 0.025 0.000 0.280 35 L C -0.533 176.170 176.870 -0.278 0.000 1.006 35 L CA -0.684 53.976 54.840 -0.300 0.000 0.836 35 L CB 0.790 42.770 42.059 -0.133 0.000 1.221 35 L HN 0.497 nan 8.230 nan 0.000 0.418 36 H N 5.089 124.143 119.070 -0.026 0.000 2.562 36 H HA 0.528 5.079 4.556 -0.007 0.000 0.314 36 H C -0.407 174.917 175.328 -0.006 0.000 1.079 36 H CA -0.299 55.738 56.048 -0.018 0.000 1.349 36 H CB 1.990 31.739 29.762 -0.021 0.000 1.432 36 H HN 0.452 nan 8.280 nan 0.000 0.479 37 I N 3.462 124.091 120.570 0.099 0.000 2.498 37 I HA 0.068 4.253 4.170 0.025 0.000 0.290 37 I C -0.012 176.130 176.117 0.041 0.000 1.032 37 I CA -0.932 60.401 61.300 0.056 0.000 1.073 37 I CB 2.050 40.066 38.000 0.027 0.000 1.251 37 I HN 0.602 nan 8.210 nan 0.000 0.426 38 D N 4.172 124.594 120.400 0.035 0.000 2.487 38 D HA 0.165 4.820 4.640 0.025 0.000 0.262 38 D C 0.428 176.695 176.300 -0.056 0.000 1.130 38 D CA -0.496 53.504 54.000 0.001 0.000 1.038 38 D CB 0.550 41.368 40.800 0.030 0.000 1.142 38 D HN 0.260 nan 8.370 nan 0.000 0.575 39 N N -1.012 117.587 118.700 -0.168 0.000 2.364 39 N HA -0.126 4.629 4.740 0.025 0.000 0.183 39 N C 0.705 176.035 175.510 -0.300 0.000 1.022 39 N CA 0.867 53.755 53.050 -0.270 0.000 0.883 39 N CB -0.393 37.851 38.487 -0.405 0.000 0.965 39 N HN 0.516 nan 8.380 nan 0.000 0.438 40 H N -1.736 117.342 119.070 0.014 0.000 2.529 40 H HA 0.330 4.901 4.556 0.025 0.000 0.277 40 H C 1.328 176.666 175.328 0.017 0.000 1.004 40 H CA 0.349 56.406 56.048 0.014 0.000 1.167 40 H CB 0.367 30.138 29.762 0.013 0.000 1.445 40 H HN 0.156 nan 8.280 nan 0.000 0.554 41 G N 0.998 109.847 108.800 0.083 0.000 2.162 41 G HA2 -0.369 3.607 3.960 0.025 0.000 0.260 41 G HA3 -0.369 3.607 3.960 0.025 0.000 0.260 41 G C 0.243 175.188 174.900 0.076 0.000 0.976 41 G CA 0.227 45.367 45.100 0.067 0.000 0.655 41 G HN 0.469 nan 8.290 nan 0.000 0.533 42 N N 1.095 119.853 118.700 0.096 0.000 2.416 42 N HA 0.412 5.168 4.740 0.025 0.000 0.246 42 N C 0.223 175.779 175.510 0.076 0.000 1.260 42 N CA 0.657 53.758 53.050 0.086 0.000 0.897 42 N CB 0.322 38.865 38.487 0.093 0.000 1.110 42 N HN 0.600 nan 8.380 nan 0.000 0.439 43 E N 0.582 120.829 120.200 0.079 0.000 2.343 43 E HA 0.611 4.976 4.350 0.025 0.000 0.270 43 E C -1.032 175.627 176.600 0.099 0.000 0.895 43 E CA -0.684 55.764 56.400 0.080 0.000 0.767 43 E CB 1.690 31.428 29.700 0.064 0.000 1.248 43 E HN 0.319 nan 8.360 nan 0.000 0.440 44 L N 0.928 122.225 121.223 0.124 0.000 2.415 44 L HA 0.565 4.920 4.340 0.025 0.000 0.256 44 L C -0.711 176.244 176.870 0.142 0.000 1.010 44 L CA -0.732 54.202 54.840 0.157 0.000 0.826 44 L CB 1.865 44.030 42.059 0.175 0.000 1.405 44 L HN 0.366 nan 8.230 nan 0.000 0.410 45 K N -0.263 120.186 120.400 0.081 0.000 2.433 45 K HA 0.819 5.154 4.320 0.025 0.000 0.252 45 K C -1.294 175.195 176.600 -0.185 0.000 1.015 45 K CA -0.915 55.287 56.287 -0.141 0.000 0.860 45 K CB 2.221 34.486 32.500 -0.393 0.000 1.359 45 K HN 0.446 nan 8.250 nan 0.000 0.452 46 S N 1.102 116.604 115.700 -0.330 0.000 2.552 46 S HA 0.547 5.032 4.470 0.025 0.000 0.314 46 S C -1.170 173.191 174.600 -0.398 0.000 1.099 46 S CA -0.734 57.351 58.200 -0.192 0.000 1.070 46 S CB 0.189 63.412 63.200 0.039 0.000 0.998 46 S HN 0.321 nan 8.310 nan 0.000 0.474 47 F N 1.583 121.568 119.950 0.058 0.000 2.541 47 F HA 0.467 5.020 4.527 0.043 0.000 0.331 47 F C 0.712 176.551 175.800 0.066 0.000 1.057 47 F CA -0.858 57.178 58.000 0.062 0.000 0.975 47 F CB 0.910 39.934 39.000 0.040 0.000 1.246 47 F HN 0.480 nan 8.300 nan 0.000 0.484 48 H N 1.052 120.246 119.070 0.206 0.000 2.466 48 H HA 0.293 4.857 4.556 0.012 0.000 0.338 48 H C 0.797 176.180 175.328 0.091 0.000 1.091 48 H CA -0.424 55.690 56.048 0.110 0.000 1.207 48 H CB 2.215 32.019 29.762 0.070 0.000 1.466 48 H HN 0.568 nan 8.280 nan 0.000 0.493 49 V N 2.598 122.458 119.914 -0.090 0.000 2.469 49 V HA -0.230 3.905 4.120 0.025 0.000 0.251 49 V C 1.755 177.939 176.094 0.150 0.000 1.064 49 V CA 1.631 63.946 62.300 0.026 0.000 1.066 49 V CB -0.511 31.279 31.823 -0.055 0.000 0.667 49 V HN 0.681 nan 8.190 nan 0.000 0.461 50 Q N 0.098 120.136 119.800 0.397 0.000 2.167 50 Q HA -0.150 4.205 4.340 0.025 0.000 0.202 50 Q C 2.043 178.117 176.000 0.123 0.000 0.970 50 Q CA 1.692 57.626 55.803 0.218 0.000 0.855 50 Q CB -0.214 28.629 28.738 0.176 0.000 0.911 50 Q HN 0.679 nan 8.270 nan 0.000 0.438 51 D N 0.379 120.879 120.400 0.166 0.000 2.123 51 D HA -0.041 4.615 4.640 0.025 0.000 0.200 51 D C 1.035 177.375 176.300 0.066 0.000 0.976 51 D CA 0.899 54.955 54.000 0.094 0.000 0.831 51 D CB -0.488 40.386 40.800 0.125 0.000 0.974 51 D HN 0.215 nan 8.370 nan 0.000 0.469 55 L N 0.969 122.193 121.223 0.002 0.000 2.093 55 L HA 0.065 4.420 4.340 0.025 0.000 0.208 55 L C 2.778 179.660 176.870 0.019 0.000 1.085 55 L CA 1.457 56.306 54.840 0.015 0.000 0.755 55 L CB -0.359 41.709 42.059 0.016 0.000 0.904 55 L HN 0.148 nan 8.230 nan 0.000 0.435 56 K N 0.210 120.615 120.400 0.008 0.000 2.148 56 K HA -0.109 4.227 4.320 0.025 0.000 0.204 56 K C 2.103 178.731 176.600 0.047 0.000 1.050 56 K CA 1.008 57.324 56.287 0.048 0.000 0.942 56 K CB -0.113 32.438 32.500 0.085 0.000 0.724 56 K HN 0.235 nan 8.250 nan 0.000 0.446 57 L N 1.051 122.259 121.223 -0.025 0.000 2.056 57 L HA -0.096 4.259 4.340 0.025 0.000 0.207 57 L C 1.400 178.282 176.870 0.019 0.000 1.078 57 L CA 0.540 55.373 54.840 -0.011 0.000 0.749 57 L CB -0.396 41.630 42.059 -0.056 0.000 0.901 57 L HN 0.122 nan 8.230 nan 0.000 0.433 61 A N -0.047 122.797 122.820 0.040 0.000 2.278 61 A HA 0.480 4.815 4.320 0.025 0.000 0.212 61 A C 1.853 179.447 177.584 0.017 0.000 1.213 61 A CA 1.142 53.194 52.037 0.025 0.000 0.840 61 A CB -0.838 18.172 19.000 0.018 0.000 0.866 61 A HN 2.294 nan 8.150 nan 0.000 0.489 62 G N -0.782 108.030 108.800 0.021 0.000 2.141 62 G HA2 -0.210 3.765 3.960 0.025 0.000 0.242 62 G HA3 -0.210 3.765 3.960 0.025 0.000 0.242 62 G C 0.026 174.930 174.900 0.007 0.000 0.982 62 G CA 0.240 45.349 45.100 0.015 0.000 0.662 62 G HN 0.467 nan 8.290 nan 0.000 0.527 63 I N 0.835 121.411 120.570 0.010 0.000 2.331 63 I HA 0.316 4.501 4.170 0.025 0.000 0.292 63 I C 0.775 176.904 176.117 0.020 0.000 0.998 63 I CA -0.958 60.344 61.300 0.002 0.000 1.267 63 I CB 1.361 39.361 38.000 0.001 0.000 1.386 63 I HN 0.005 nan 8.210 nan 0.000 0.476 64 Q N 4.229 124.035 119.800 0.010 0.000 2.395 64 Q HA 0.261 4.616 4.340 0.025 0.000 0.271 64 Q C -0.940 175.102 176.000 0.071 0.000 1.026 64 Q CA 0.378 56.203 55.803 0.038 0.000 0.900 64 Q CB 1.037 29.764 28.738 -0.018 0.000 1.266 64 Q HN 0.441 nan 8.270 nan 0.000 0.430 65 V N 1.859 121.843 119.914 0.117 0.000 2.656 65 V HA 0.922 5.057 4.120 0.025 0.000 0.307 65 V C -0.726 175.486 176.094 0.196 0.000 1.051 65 V CA -0.514 61.864 62.300 0.131 0.000 0.893 65 V CB 1.724 33.605 31.823 0.098 0.000 0.999 65 V HN 0.837 nan 8.190 nan 0.000 0.426 66 A N 4.301 127.244 122.820 0.206 0.000 2.556 66 A HA 0.962 5.297 4.320 0.025 0.000 0.294 66 A C -1.643 176.079 177.584 0.229 0.000 1.091 66 A CA -0.514 51.693 52.037 0.283 0.000 0.704 66 A CB 1.648 20.854 19.000 0.344 0.000 1.300 66 A HN 0.613 nan 8.150 nan 0.000 0.406 67 I N 0.678 121.424 120.570 0.294 0.000 2.569 67 I HA 0.561 4.746 4.170 0.025 0.000 0.296 67 I C -0.742 175.584 176.117 0.348 0.000 1.028 67 I CA -0.342 61.100 61.300 0.236 0.000 1.082 67 I CB 1.807 39.906 38.000 0.164 0.000 1.264 67 I HN 0.507 nan 8.210 nan 0.000 0.429 68 I N 4.720 125.442 120.570 0.254 0.000 2.468 68 I HA 0.413 4.598 4.170 0.025 0.000 0.285 68 I C -0.480 175.769 176.117 0.220 0.000 1.039 68 I CA -0.317 61.150 61.300 0.279 0.000 1.074 68 I CB 1.974 40.117 38.000 0.238 0.000 1.228 68 I HN 0.439 nan 8.210 nan 0.000 0.436 69 T N 2.200 116.882 114.554 0.214 0.000 2.903 69 T HA 0.312 4.678 4.350 0.025 0.000 0.299 69 T C 0.727 175.509 174.700 0.137 0.000 1.093 69 T CA -0.271 61.927 62.100 0.164 0.000 1.002 69 T CB 1.859 70.822 68.868 0.158 0.000 1.127 69 T HN 0.590 nan 8.240 nan 0.000 0.488 70 T N 2.339 116.956 114.554 0.105 0.000 2.985 70 T HA 0.289 4.654 4.350 0.025 0.000 0.266 70 T C 1.116 175.862 174.700 0.077 0.000 1.076 70 T CA 0.635 62.783 62.100 0.080 0.000 1.135 70 T CB -0.370 68.533 68.868 0.059 0.000 0.890 70 T HN 0.880 nan 8.240 nan 0.000 0.480 71 A N 1.336 124.207 122.820 0.084 0.000 2.561 71 A HA 0.125 4.460 4.320 0.025 0.000 0.234 71 A C 0.944 178.583 177.584 0.090 0.000 1.055 71 A CA 0.153 52.238 52.037 0.081 0.000 0.756 71 A CB 0.179 19.234 19.000 0.091 0.000 0.986 71 A HN 0.472 nan 8.150 nan 0.000 0.505 72 Q N 0.117 119.962 119.800 0.075 0.000 2.185 72 Q HA 0.027 4.382 4.340 0.025 0.000 0.234 72 Q C -0.075 175.967 176.000 0.070 0.000 0.819 72 Q CA 0.128 55.974 55.803 0.071 0.000 0.961 72 Q CB 0.224 28.993 28.738 0.052 0.000 1.140 72 Q HN 1.002 nan 8.270 nan 0.000 0.492 73 N N -0.546 118.199 118.700 0.075 0.000 2.424 73 N HA 0.232 4.987 4.740 0.025 0.000 0.257 73 N C 0.685 176.243 175.510 0.081 0.000 1.250 73 N CA 0.346 53.441 53.050 0.075 0.000 0.946 73 N CB 0.627 39.160 38.487 0.078 0.000 1.175 73 N HN -0.074 nan 8.380 nan 0.000 0.477 74 A N 0.284 123.150 122.820 0.077 0.000 2.121 74 A HA -0.038 4.297 4.320 0.025 0.000 0.218 74 A C 1.909 179.564 177.584 0.119 0.000 1.154 74 A CA 0.699 52.759 52.037 0.038 0.000 0.679 74 A CB -0.934 18.087 19.000 0.036 0.000 0.795 74 A HN 0.519 nan 8.150 nan 0.000 0.458 75 V N -0.220 119.822 119.914 0.213 0.000 2.278 75 V HA -0.323 3.813 4.120 0.025 0.000 0.251 75 V C 2.556 178.777 176.094 0.212 0.000 1.062 75 V CA 2.357 64.824 62.300 0.278 0.000 1.038 75 V CB -0.982 30.994 31.823 0.255 0.000 0.646 75 V HN 0.416 nan 8.190 nan 0.000 0.447 76 V N 0.148 120.148 119.914 0.144 0.000 2.295 76 V HA -0.272 3.864 4.120 0.025 0.000 0.246 76 V C 2.281 178.300 176.094 -0.124 0.000 1.049 76 V CA 2.308 64.638 62.300 0.050 0.000 1.024 76 V CB -0.763 31.110 31.823 0.083 0.000 0.648 76 V HN 0.616 nan 8.190 nan 0.000 0.447 77 D N -0.805 119.542 120.400 -0.088 0.000 2.117 77 D HA -0.194 4.461 4.640 0.025 0.000 0.197 77 D C 1.994 178.175 176.300 -0.198 0.000 0.987 77 D CA 1.863 55.777 54.000 -0.143 0.000 0.829 77 D CB -0.258 40.471 40.800 -0.119 0.000 0.961 77 D HN 0.618 nan 8.370 nan 0.000 0.460 78 H N 0.063 119.105 119.070 -0.048 0.000 2.353 78 H HA -0.038 4.533 4.556 0.025 0.000 0.300 78 H C 1.373 176.620 175.328 -0.135 0.000 1.090 78 H CA 0.804 56.818 56.048 -0.057 0.000 1.327 78 H CB 0.121 29.877 29.762 -0.010 0.000 1.383 78 H HN -0.106 nan 8.280 nan 0.000 0.508 82 Q N 0.825 120.588 119.800 -0.061 0.000 2.096 82 Q HA -0.044 4.312 4.340 0.025 0.000 0.204 82 Q C 2.031 178.002 176.000 -0.047 0.000 0.982 82 Q CA 1.716 57.490 55.803 -0.049 0.000 0.850 82 Q CB 0.119 28.814 28.738 -0.071 0.000 0.901 82 Q HN 0.376 nan 8.270 nan 0.000 0.422 83 L N -0.918 120.256 121.223 -0.081 0.000 2.558 83 L HA 0.122 4.477 4.340 0.025 0.000 0.225 83 L C 1.048 177.906 176.870 -0.020 0.000 1.128 83 L CA 0.320 55.128 54.840 -0.053 0.000 0.868 83 L CB -0.084 41.922 42.059 -0.090 0.000 1.006 83 L HN 0.413 nan 8.230 nan 0.000 0.454 84 G N 1.431 110.217 108.800 -0.023 0.000 2.198 84 G HA2 -0.300 3.676 3.960 0.025 0.000 0.260 84 G HA3 -0.300 3.676 3.960 0.025 0.000 0.260 84 G C 0.117 175.026 174.900 0.014 0.000 1.025 84 G CA -0.070 45.031 45.100 0.001 0.000 0.769 84 G HN 0.330 nan 8.290 nan 0.000 0.507 85 I N 1.434 122.001 120.570 -0.005 0.000 2.312 85 I HA 0.276 4.462 4.170 0.025 0.000 0.291 85 I C 1.813 177.992 176.117 0.103 0.000 1.031 85 I CA 0.354 61.678 61.300 0.040 0.000 1.293 85 I CB 1.280 39.274 38.000 -0.010 0.000 1.403 85 I HN 0.290 nan 8.210 nan 0.000 0.484 86 T N 1.341 115.948 114.554 0.089 0.000 3.040 86 T HA 0.062 4.427 4.350 0.025 0.000 0.252 86 T C 0.889 175.559 174.700 -0.049 0.000 1.064 86 T CA 0.392 62.500 62.100 0.013 0.000 1.110 86 T CB -0.010 68.763 68.868 -0.158 0.000 0.921 86 T HN 0.394 nan 8.240 nan 0.000 0.480 87 H N 2.160 121.326 119.070 0.161 0.000 3.008 87 H HA 0.390 4.961 4.556 0.025 0.000 0.268 87 H C -0.940 174.515 175.328 0.213 0.000 1.323 87 H CA -0.309 55.813 56.048 0.124 0.000 1.401 87 H CB -0.513 29.370 29.762 0.201 0.000 1.556 87 H HN 0.636 nan 8.280 nan 0.000 0.502 88 Y N 0.824 121.061 120.300 -0.105 0.000 2.581 88 Y HA 0.513 5.080 4.550 0.028 0.000 0.337 88 Y C -2.225 173.517 175.900 -0.263 0.000 1.108 88 Y CA -1.575 56.507 58.100 -0.030 0.000 1.033 88 Y CB 0.963 39.442 38.460 0.031 0.000 1.318 88 Y HN 0.058 nan 8.280 nan 0.000 0.459 89 Y N 1.643 122.044 120.300 0.167 0.000 2.354 89 Y HA 0.582 5.147 4.550 0.024 0.000 0.330 89 Y C -0.387 175.584 175.900 0.117 0.000 1.011 89 Y CA -1.233 56.895 58.100 0.047 0.000 1.099 89 Y CB 2.287 40.775 38.460 0.046 0.000 1.179 89 Y HN 0.501 nan 8.280 nan 0.000 0.442 90 K N 0.580 121.090 120.400 0.184 0.000 2.221 90 K HA 0.604 4.939 4.320 0.025 0.000 0.243 90 K C 0.535 177.204 176.600 0.114 0.000 0.968 90 K CA -0.451 55.935 56.287 0.165 0.000 0.846 90 K CB 1.855 34.440 32.500 0.142 0.000 1.141 90 K HN 0.861 nan 8.250 nan 0.000 0.434 91 G N 1.580 110.439 108.800 0.099 0.000 2.179 91 G HA2 -0.224 3.751 3.960 0.025 0.000 0.257 91 G HA3 -0.224 3.751 3.960 0.025 0.000 0.257 91 G C -0.273 174.666 174.900 0.066 0.000 1.010 91 G CA 0.125 45.267 45.100 0.070 0.000 0.736 91 G HN 0.399 nan 8.290 nan 0.000 0.513 92 Q N -0.112 119.739 119.800 0.084 0.000 2.349 92 Q HA 0.498 4.853 4.340 0.025 0.000 0.254 92 Q C 1.350 177.381 176.000 0.051 0.000 0.980 92 Q CA -0.317 55.526 55.803 0.067 0.000 0.924 92 Q CB 1.671 30.457 28.738 0.082 0.000 1.209 92 Q HN 0.206 nan 8.270 nan 0.000 0.445 93 V N 1.124 121.058 119.914 0.033 0.000 2.331 93 V HA -0.061 4.075 4.120 0.025 0.000 0.242 93 V C 0.786 176.886 176.094 0.011 0.000 1.034 93 V CA 1.227 63.541 62.300 0.023 0.000 1.027 93 V CB 0.101 31.933 31.823 0.016 0.000 0.667 93 V HN 0.693 nan 8.190 nan 0.000 0.457 94 D N 0.150 120.552 120.400 0.002 0.000 2.249 94 D HA 0.163 4.819 4.640 0.025 0.000 0.246 94 D C 0.437 176.730 176.300 -0.013 0.000 1.114 94 D CA -0.171 53.820 54.000 -0.014 0.000 0.854 94 D CB 1.556 42.345 40.800 -0.019 0.000 1.132 94 D HN 0.206 nan 8.370 nan 0.000 0.461 95 K N 2.660 123.043 120.400 -0.029 0.000 2.367 95 K HA 0.113 4.448 4.320 0.025 0.000 0.194 95 K C 1.790 178.360 176.600 -0.050 0.000 1.027 95 K CA -0.165 56.106 56.287 -0.027 0.000 1.075 95 K CB 0.853 33.343 32.500 -0.016 0.000 0.845 95 K HN 0.265 nan 8.250 nan 0.000 0.529 96 R N 0.447 120.912 120.500 -0.059 0.000 2.081 96 R HA -0.101 4.255 4.340 0.025 0.000 0.235 96 R C 2.457 178.757 176.300 0.000 0.000 1.131 96 R CA 1.531 57.605 56.100 -0.045 0.000 0.960 96 R CB -0.274 29.992 30.300 -0.055 0.000 0.856 96 R HN 0.037 nan 8.270 nan 0.000 0.436 97 S N 0.302 115.992 115.700 -0.018 0.000 2.383 97 S HA -0.088 4.397 4.470 0.025 0.000 0.227 97 S C 2.029 176.597 174.600 -0.053 0.000 1.026 97 S CA 1.075 59.267 58.200 -0.013 0.000 0.981 97 S CB -0.070 63.128 63.200 -0.004 0.000 0.818 97 S HN 0.432 nan 8.310 nan 0.000 0.472 98 A N 0.186 122.929 122.820 -0.128 0.000 1.898 98 A HA -0.047 4.288 4.320 0.025 0.000 0.216 98 A C 1.999 179.315 177.584 -0.447 0.000 1.181 98 A CA 1.635 53.428 52.037 -0.406 0.000 0.620 98 A CB -1.214 17.490 19.000 -0.495 0.000 0.819 98 A HN 0.756 nan 8.150 nan 0.000 0.442 99 Y N 0.399 120.495 120.300 -0.340 0.000 2.165 99 Y HA -0.272 4.293 4.550 0.025 0.000 0.286 99 Y C 2.491 178.232 175.900 -0.265 0.000 1.155 99 Y CA 2.470 60.374 58.100 -0.327 0.000 1.164 99 Y CB -0.359 37.926 38.460 -0.291 0.000 0.978 99 Y HN 0.391 nan 8.280 nan 0.000 0.513 100 Q N -0.737 118.952 119.800 -0.185 0.000 2.119 100 Q HA -0.210 4.146 4.340 0.025 0.000 0.201 100 Q C 2.332 178.223 176.000 -0.182 0.000 0.972 100 Q CA 2.020 57.701 55.803 -0.204 0.000 0.847 100 Q CB -0.768 27.951 28.738 -0.033 0.000 0.903 100 Q HN 0.693 nan 8.270 nan 0.000 0.433 101 H N -0.467 118.490 119.070 -0.189 0.000 2.357 101 H HA -0.109 4.463 4.556 0.026 0.000 0.301 101 H C 1.802 177.099 175.328 -0.052 0.000 1.082 101 H CA 1.626 57.629 56.048 -0.075 0.000 1.342 101 H CB -0.055 29.720 29.762 0.022 0.000 1.389 101 H HN 0.363 nan 8.280 nan 0.000 0.511 102 L N 1.753 122.959 121.223 -0.029 0.000 2.046 102 L HA -0.128 4.227 4.340 0.025 0.000 0.208 102 L C 2.680 179.494 176.870 -0.092 0.000 1.077 102 L CA 1.972 56.824 54.840 0.021 0.000 0.747 102 L CB -0.698 41.312 42.059 -0.081 0.000 0.896 102 L HN 0.148 nan 8.230 nan 0.000 0.432 103 K N -0.497 119.700 120.400 -0.339 0.000 2.057 103 K HA -0.219 4.116 4.320 0.025 0.000 0.207 103 K C 2.151 178.706 176.600 -0.076 0.000 1.049 103 K CA 1.643 57.814 56.287 -0.193 0.000 0.931 103 K CB -0.069 32.145 32.500 -0.477 0.000 0.714 103 K HN 0.318 nan 8.250 nan 0.000 0.440 104 K N -0.271 120.042 120.400 -0.144 0.000 2.057 104 K HA -0.093 4.243 4.320 0.025 0.000 0.207 104 K C 2.102 178.638 176.600 -0.108 0.000 1.049 104 K CA 1.935 58.147 56.287 -0.125 0.000 0.931 104 K CB -0.132 32.265 32.500 -0.171 0.000 0.714 104 K HN 0.217 nan 8.250 nan 0.000 0.440 105 T N 1.772 116.247 114.554 -0.131 0.000 2.746 105 T HA -0.082 4.283 4.350 0.025 0.000 0.267 105 T C 1.782 176.476 174.700 -0.009 0.000 1.039 105 T CA 1.029 63.096 62.100 -0.057 0.000 1.142 105 T CB -0.042 68.844 68.868 0.031 0.000 0.866 105 T HN 0.121 nan 8.240 nan 0.000 0.444 106 L N -0.081 121.138 121.223 -0.008 0.000 2.375 106 L HA 0.260 4.616 4.340 0.025 0.000 0.215 106 L C 1.997 178.851 176.870 -0.028 0.000 1.108 106 L CA 0.547 55.373 54.840 -0.025 0.000 0.830 106 L CB -0.482 41.556 42.059 -0.036 0.000 0.959 106 L HN 0.518 nan 8.230 nan 0.000 0.457 107 G N 1.061 109.854 108.800 -0.011 0.000 2.147 107 G HA2 -0.256 3.719 3.960 0.025 0.000 0.244 107 G HA3 -0.256 3.719 3.960 0.025 0.000 0.244 107 G C 0.067 174.954 174.900 -0.021 0.000 1.005 107 G CA -0.069 45.021 45.100 -0.015 0.000 0.713 107 G HN 0.202 nan 8.290 nan 0.000 0.515 108 L N -0.059 121.156 121.223 -0.014 0.000 2.360 108 L HA 0.454 4.810 4.340 0.025 0.000 0.271 108 L C 0.522 177.423 176.870 0.052 0.000 1.057 108 L CA -1.301 53.495 54.840 -0.073 0.000 0.803 108 L CB 0.765 42.591 42.059 -0.387 0.000 1.207 108 L HN 0.014 nan 8.230 nan 0.000 0.445 109 N N 0.785 119.499 118.700 0.023 0.000 2.467 109 N HA 0.009 4.764 4.740 0.025 0.000 0.262 109 N C 0.458 176.109 175.510 0.234 0.000 1.234 109 N CA -0.357 52.753 53.050 0.100 0.000 0.952 109 N CB 0.724 39.243 38.487 0.053 0.000 1.158 109 N HN 0.510 nan 8.380 nan 0.000 0.463 110 D N 0.347 120.916 120.400 0.281 0.000 2.133 110 D HA -0.190 4.466 4.640 0.025 0.000 0.195 110 D C 0.841 177.338 176.300 0.329 0.000 0.997 110 D CA 1.355 55.594 54.000 0.398 0.000 0.840 110 D CB -0.104 40.840 40.800 0.240 0.000 0.947 110 D HN 0.663 nan 8.370 nan 0.000 0.452 111 D N 0.286 120.792 120.400 0.178 0.000 2.363 111 D HA -0.094 4.561 4.640 0.025 0.000 0.226 111 D C 0.961 177.309 176.300 0.080 0.000 1.020 111 D CA 0.375 54.447 54.000 0.120 0.000 0.892 111 D CB -0.480 40.363 40.800 0.070 0.000 0.900 111 D HN 0.267 nan 8.370 nan 0.000 0.531 112 E N -1.035 119.191 120.200 0.044 0.000 2.481 112 E HA 0.128 4.494 4.350 0.025 0.000 0.198 112 E C -0.390 176.085 176.600 -0.208 0.000 1.027 112 E CA -0.278 56.058 56.400 -0.106 0.000 0.900 112 E CB 0.241 29.820 29.700 -0.203 0.000 0.993 112 E HN 0.202 nan 8.360 nan 0.000 0.482 113 F N 1.121 121.135 119.950 0.105 0.000 2.399 113 F HA 0.464 5.005 4.527 0.025 0.000 0.334 113 F C 0.470 176.349 175.800 0.132 0.000 1.097 113 F CA -0.921 57.166 58.000 0.145 0.000 1.076 113 F CB 1.178 40.340 39.000 0.270 0.000 1.162 113 F HN -0.184 nan 8.300 nan 0.000 0.495 114 A N 2.969 125.982 122.820 0.322 0.000 2.320 114 A HA 0.724 5.059 4.320 0.025 0.000 0.334 114 A C -2.082 175.695 177.584 0.322 0.000 1.147 114 A CA -0.544 51.651 52.037 0.262 0.000 0.820 114 A CB 0.938 20.036 19.000 0.162 0.000 1.218 114 A HN 0.716 nan 8.150 nan 0.000 0.482 115 Y N 0.644 121.032 120.300 0.147 0.000 2.401 115 Y HA 0.589 5.155 4.550 0.026 0.000 0.330 115 Y C -1.246 174.714 175.900 0.099 0.000 1.071 115 Y CA -0.762 57.405 58.100 0.111 0.000 1.049 115 Y CB 1.550 40.035 38.460 0.041 0.000 1.239 115 Y HN 0.719 nan 8.280 nan 0.000 0.437 116 I N 5.902 126.379 120.570 -0.155 0.000 2.389 116 I HA 0.838 5.024 4.170 0.025 0.000 0.288 116 I C -0.465 175.622 176.117 -0.049 0.000 0.999 116 I CA -0.257 61.045 61.300 0.002 0.000 1.129 116 I CB 0.933 38.942 38.000 0.015 0.000 1.288 116 I HN 0.804 nan 8.210 nan 0.000 0.444 117 G N 4.544 113.441 108.800 0.162 0.000 2.733 117 G HA2 0.367 4.342 3.960 0.025 0.000 0.288 117 G HA3 0.367 4.342 3.960 0.025 0.000 0.288 117 G C -0.640 174.330 174.900 0.117 0.000 1.373 117 G CA -0.213 45.024 45.100 0.228 0.000 0.895 117 G HN 0.631 nan 8.290 nan 0.000 0.479 118 D N -1.672 118.786 120.400 0.098 0.000 2.453 118 D HA 0.124 4.779 4.640 0.025 0.000 0.256 118 D C -0.642 175.685 176.300 0.045 0.000 1.152 118 D CA 0.135 54.166 54.000 0.052 0.000 0.818 118 D CB 1.172 41.989 40.800 0.028 0.000 1.259 118 D HN 0.250 nan 8.370 nan 0.000 0.531 119 D N -0.097 120.336 120.400 0.055 0.000 2.592 119 D HA 0.322 4.978 4.640 0.025 0.000 0.263 119 D C 1.569 177.886 176.300 0.028 0.000 1.132 119 D CA -0.644 53.378 54.000 0.036 0.000 0.996 119 D CB 2.184 43.001 40.800 0.028 0.000 1.442 119 D HN -0.163 nan 8.370 nan 0.000 0.486 120 L N 0.669 121.900 121.223 0.013 0.000 2.079 120 L HA -0.080 4.275 4.340 0.025 0.000 0.210 120 L C -0.779 176.076 176.870 -0.026 0.000 1.081 120 L CA 1.129 55.965 54.840 -0.007 0.000 0.752 120 L CB -1.316 40.737 42.059 -0.010 0.000 0.896 120 L HN 0.321 nan 8.230 nan 0.000 0.433 121 P HA -0.095 nan 4.420 nan 0.000 0.230 121 P C 0.705 177.971 177.300 -0.057 0.000 1.158 121 P CA 1.015 64.097 63.100 -0.029 0.000 0.769 121 P CB 0.002 31.701 31.700 -0.002 0.000 0.807 122 D N -0.999 119.382 120.400 -0.032 0.000 2.289 122 D HA -0.004 4.651 4.640 0.025 0.000 0.207 122 D C 1.964 178.139 176.300 -0.210 0.000 0.966 122 D CA 0.408 54.351 54.000 -0.095 0.000 0.868 122 D CB -0.296 40.583 40.800 0.132 0.000 0.943 122 D HN 0.201 nan 8.370 nan 0.000 0.514 123 L N 0.976 122.124 121.223 -0.126 0.000 2.013 123 L HA -0.167 4.189 4.340 0.025 0.000 0.212 123 L C -0.498 176.250 176.870 -0.203 0.000 1.073 123 L CA 1.708 56.469 54.840 -0.131 0.000 0.753 123 L CB -1.237 40.754 42.059 -0.113 0.000 0.890 123 L HN 0.046 nan 8.230 nan 0.000 0.432 124 P HA -0.153 nan 4.420 nan 0.000 0.218 124 P C 1.829 178.922 177.300 -0.344 0.000 1.149 124 P CA 1.256 64.208 63.100 -0.246 0.000 0.817 124 P CB 0.086 31.659 31.700 -0.212 0.000 0.785 125 L N -1.407 119.522 121.223 -0.490 0.000 2.072 125 L HA -0.107 4.249 4.340 0.025 0.000 0.205 125 L C 2.437 178.970 176.870 -0.561 0.000 1.079 125 L CA 1.279 55.683 54.840 -0.727 0.000 0.752 125 L CB -0.835 40.553 42.059 -1.118 0.000 0.906 125 L HN -0.077 nan 8.230 nan 0.000 0.436 126 I N -0.202 120.107 120.570 -0.434 0.000 2.208 126 I HA -0.332 3.853 4.170 0.025 0.000 0.245 126 I C 2.623 178.691 176.117 -0.082 0.000 1.097 126 I CA 1.470 62.683 61.300 -0.145 0.000 1.363 126 I CB -0.180 37.801 38.000 -0.032 0.000 1.051 126 I HN 0.388 nan 8.210 nan 0.000 0.413 127 Q N -0.329 119.399 119.800 -0.120 0.000 2.230 127 Q HA -0.226 4.130 4.340 0.025 0.000 0.202 127 Q C 2.116 178.062 176.000 -0.090 0.000 0.963 127 Q CA 0.990 56.748 55.803 -0.075 0.000 0.866 127 Q CB -0.043 28.635 28.738 -0.101 0.000 0.931 127 Q HN 0.556 nan 8.270 nan 0.000 0.452 128 Q N 0.721 120.418 119.800 -0.173 0.000 2.163 128 Q HA -0.021 4.334 4.340 0.025 0.000 0.198 128 Q C 0.900 176.841 176.000 -0.097 0.000 0.954 128 Q CA 0.467 56.170 55.803 -0.167 0.000 0.851 128 Q CB 0.472 29.026 28.738 -0.308 0.000 0.928 128 Q HN 0.251 nan 8.270 nan 0.000 0.459 129 V N -2.461 117.391 119.914 -0.105 0.000 3.385 129 V HA 0.361 4.496 4.120 0.025 0.000 0.301 129 V C 1.369 177.526 176.094 0.105 0.000 1.082 129 V CA 0.220 62.556 62.300 0.060 0.000 1.085 129 V CB 0.603 32.503 31.823 0.128 0.000 1.152 129 V HN 0.245 nan 8.190 nan 0.000 0.465 130 G N 0.356 109.250 108.800 0.158 0.000 2.408 130 G HA2 -0.009 3.966 3.960 0.025 0.000 0.217 130 G HA3 -0.009 3.966 3.960 0.025 0.000 0.217 130 G C 0.417 175.374 174.900 0.096 0.000 1.150 130 G CA 1.153 46.318 45.100 0.109 0.000 0.776 130 G HN 0.801 nan 8.290 nan 0.000 0.542 131 L N 1.278 122.576 121.223 0.125 0.000 2.454 131 L HA 0.688 5.044 4.340 0.025 0.000 0.258 131 L C 0.066 177.040 176.870 0.173 0.000 1.025 131 L CA -0.855 54.060 54.840 0.125 0.000 0.901 131 L CB 1.086 43.199 42.059 0.091 0.000 1.210 131 L HN 0.001 nan 8.230 nan 0.000 0.457 132 G N 3.866 112.765 108.800 0.164 0.000 2.319 132 G HA2 0.577 4.553 3.960 0.025 0.000 0.308 132 G HA3 0.577 4.553 3.960 0.025 0.000 0.308 132 G C -1.194 173.833 174.900 0.213 0.000 1.117 132 G CA -0.339 44.870 45.100 0.181 0.000 0.903 132 G HN 0.384 nan 8.290 nan 0.000 0.436 133 V N 1.485 121.542 119.914 0.238 0.000 2.604 133 V HA 0.747 4.883 4.120 0.025 0.000 0.305 133 V C 0.306 176.483 176.094 0.139 0.000 1.043 133 V CA -0.926 61.508 62.300 0.222 0.000 0.888 133 V CB 1.685 33.681 31.823 0.289 0.000 0.995 133 V HN 1.048 nan 8.190 nan 0.000 0.429 134 A N 3.870 126.721 122.820 0.052 0.000 2.292 134 A HA 0.788 5.123 4.320 0.025 0.000 0.319 134 A C -0.054 177.485 177.584 -0.075 0.000 1.206 134 A CA -0.547 51.492 52.037 0.004 0.000 0.835 134 A CB 1.209 20.201 19.000 -0.013 0.000 1.164 134 A HN 1.372 nan 8.150 nan 0.000 0.505 135 V N 1.760 121.646 119.914 -0.047 0.000 3.139 135 V HA 0.244 4.380 4.120 0.025 0.000 0.307 135 V C 1.372 177.406 176.094 -0.101 0.000 1.095 135 V CA 0.590 62.840 62.300 -0.083 0.000 1.160 135 V CB 0.560 32.356 31.823 -0.045 0.000 1.003 135 V HN 1.367 nan 8.190 nan 0.000 0.489 136 S N 1.554 117.180 115.700 -0.123 0.000 2.447 136 S HA -0.169 4.316 4.470 0.025 0.000 0.233 136 S C 1.211 175.766 174.600 -0.076 0.000 1.006 136 S CA 0.977 59.107 58.200 -0.117 0.000 0.957 136 S CB -0.874 62.253 63.200 -0.121 0.000 0.773 136 S HN 1.038 nan 8.310 nan 0.000 0.507 137 N N 2.118 120.783 118.700 -0.058 0.000 2.314 137 N HA 0.290 5.045 4.740 0.025 0.000 0.200 137 N C 0.379 175.872 175.510 -0.028 0.000 1.135 137 N CA 0.370 53.396 53.050 -0.040 0.000 0.835 137 N CB -0.257 38.209 38.487 -0.035 0.000 0.989 137 N HN 0.522 nan 8.380 nan 0.000 0.478 138 A N 1.046 123.849 122.820 -0.028 0.000 2.386 138 A HA 0.366 4.701 4.320 0.025 0.000 0.246 138 A C 0.933 178.515 177.584 -0.005 0.000 1.089 138 A CA -0.448 51.584 52.037 -0.008 0.000 0.790 138 A CB 0.252 19.252 19.000 0.000 0.000 1.042 138 A HN 0.279 nan 8.150 nan 0.000 0.497 139 V N -1.233 118.686 119.914 0.008 0.000 3.096 139 V HA 0.201 4.336 4.120 0.025 0.000 0.306 139 V C -1.718 174.386 176.094 0.016 0.000 1.088 139 V CA -0.761 61.546 62.300 0.011 0.000 1.129 139 V CB -0.083 31.750 31.823 0.016 0.000 1.014 139 V HN 0.722 nan 8.190 nan 0.000 0.486 140 P HA -0.151 nan 4.420 nan 0.000 0.216 140 P C 1.829 179.150 177.300 0.035 0.000 1.153 140 P CA 1.760 64.867 63.100 0.010 0.000 0.858 140 P CB 0.051 31.756 31.700 0.007 0.000 0.789 141 Q N -0.901 118.948 119.800 0.082 0.000 2.124 141 Q HA -0.109 4.246 4.340 0.025 0.000 0.202 141 Q C 2.060 178.194 176.000 0.224 0.000 0.977 141 Q CA 1.242 57.160 55.803 0.191 0.000 0.850 141 Q CB -0.605 28.249 28.738 0.193 0.000 0.901 141 Q HN 0.113 nan 8.270 nan 0.000 0.429 142 V N 1.009 120.997 119.914 0.124 0.000 2.343 142 V HA -0.261 3.874 4.120 0.025 0.000 0.247 142 V C 2.164 178.304 176.094 0.078 0.000 1.051 142 V CA 1.478 63.843 62.300 0.108 0.000 1.036 142 V CB -0.491 31.373 31.823 0.068 0.000 0.654 142 V HN 0.350 nan 8.190 nan 0.000 0.451 143 L N -0.127 121.113 121.223 0.028 0.000 2.046 143 L HA -0.217 4.139 4.340 0.025 0.000 0.208 143 L C 2.614 179.459 176.870 -0.042 0.000 1.077 143 L CA 2.023 56.853 54.840 -0.017 0.000 0.747 143 L CB -0.604 41.431 42.059 -0.041 0.000 0.896 143 L HN 0.429 nan 8.230 nan 0.000 0.432 144 E N 0.178 120.335 120.200 -0.071 0.000 2.077 144 E HA -0.223 4.142 4.350 0.025 0.000 0.193 144 E C 1.781 178.179 176.600 -0.336 0.000 0.989 144 E CA 1.552 57.797 56.400 -0.258 0.000 0.800 144 E CB 0.038 29.492 29.700 -0.409 0.000 0.746 144 E HN 0.447 nan 8.360 nan 0.000 0.452 145 F N 0.121 120.070 119.950 -0.002 0.000 2.721 145 F HA 0.353 4.895 4.527 0.024 0.000 0.301 145 F C 0.827 176.634 175.800 0.012 0.000 1.096 145 F CA -0.028 57.972 58.000 0.000 0.000 1.308 145 F CB 0.336 39.329 39.000 -0.012 0.000 1.086 145 F HN -0.047 nan 8.300 nan 0.000 0.587 146 A N 0.260 123.167 122.820 0.146 0.000 2.425 146 A HA 0.083 4.418 4.320 0.025 0.000 0.242 146 A C 1.216 178.876 177.584 0.127 0.000 1.077 146 A CA -0.184 51.930 52.037 0.128 0.000 0.781 146 A CB 0.151 19.211 19.000 0.101 0.000 1.020 146 A HN 0.224 nan 8.150 nan 0.000 0.494 147 D N -0.913 119.581 120.400 0.155 0.000 2.219 147 D HA -0.004 4.651 4.640 0.025 0.000 0.205 147 D C -0.184 176.273 176.300 0.263 0.000 0.970 147 D CA 1.496 55.598 54.000 0.170 0.000 0.851 147 D CB 0.145 41.039 40.800 0.157 0.000 0.943 147 D HN 0.582 nan 8.370 nan 0.000 0.488 148 W N 0.559 121.878 121.300 0.031 0.000 3.275 148 W HA 0.244 4.922 4.660 0.029 0.000 0.306 148 W C -1.396 175.137 176.519 0.024 0.000 1.259 148 W CA -1.022 56.336 57.345 0.022 0.000 1.194 148 W CB 0.940 30.414 29.460 0.024 0.000 1.375 148 W HN -0.324 nan 8.180 nan 0.000 0.564 149 R N 1.788 121.904 120.500 -0.640 0.000 2.750 149 R HA 0.804 5.159 4.340 0.025 0.000 0.281 149 R C -0.299 175.259 176.300 -1.237 0.000 0.972 149 R CA -0.598 55.102 56.100 -0.667 0.000 0.912 149 R CB 1.688 31.776 30.300 -0.352 0.000 1.187 149 R HN 0.458 nan 8.270 nan 0.000 0.464 150 T N -0.795 113.233 114.554 -0.875 0.000 2.828 150 T HA 0.146 4.512 4.350 0.025 0.000 0.290 150 T C 0.769 175.206 174.700 -0.439 0.000 1.019 150 T CA -0.748 60.880 62.100 -0.787 0.000 1.031 150 T CB 1.235 69.867 68.868 -0.393 0.000 1.001 150 T HN 0.646 nan 8.240 nan 0.000 0.531 151 E N 0.881 120.912 120.200 -0.283 0.000 2.076 151 E HA 0.034 4.399 4.350 0.025 0.000 0.190 151 E C 0.909 177.434 176.600 -0.126 0.000 0.979 151 E CA 0.771 57.077 56.400 -0.158 0.000 0.807 151 E CB 0.004 29.656 29.700 -0.079 0.000 0.761 151 E HN 0.582 nan 8.360 nan 0.000 0.454 152 R N 1.015 121.446 120.500 -0.116 0.000 2.637 152 R HA 0.177 4.533 4.340 0.025 0.000 0.269 152 R C 0.608 176.850 176.300 -0.098 0.000 1.089 152 R CA 0.059 56.102 56.100 -0.095 0.000 1.177 152 R CB 0.500 30.745 30.300 -0.092 0.000 1.091 152 R HN 0.060 nan 8.270 nan 0.000 0.540 153 T N -1.624 112.883 114.554 -0.078 0.000 2.902 153 T HA 0.394 4.759 4.350 0.025 0.000 0.280 153 T C 0.729 175.396 174.700 -0.056 0.000 0.992 153 T CA -0.803 61.259 62.100 -0.063 0.000 1.015 153 T CB 1.371 70.212 68.868 -0.046 0.000 1.044 153 T HN 0.610 nan 8.240 nan 0.000 0.520 154 G N -0.762 108.013 108.800 -0.040 0.000 2.391 154 G HA2 0.394 4.369 3.960 0.025 0.000 0.234 154 G HA3 0.394 4.369 3.960 0.025 0.000 0.234 154 G C 1.250 176.141 174.900 -0.015 0.000 1.284 154 G CA -0.189 44.897 45.100 -0.023 0.000 0.873 154 G HN 2.028 nan 8.290 nan 0.000 0.549 155 G N 1.497 110.304 108.800 0.010 0.000 2.166 155 G HA2 -0.283 3.693 3.960 0.025 0.000 0.260 155 G HA3 -0.283 3.693 3.960 0.025 0.000 0.260 155 G C 0.928 175.864 174.900 0.059 0.000 0.986 155 G CA 0.605 45.737 45.100 0.053 0.000 0.683 155 G HN 0.783 nan 8.290 nan 0.000 0.527 156 R N -0.816 119.640 120.500 -0.073 0.000 2.668 156 R HA 0.435 4.790 4.340 0.025 0.000 0.435 156 R C 1.347 177.420 176.300 -0.379 0.000 1.059 156 R CA 0.394 56.371 56.100 -0.205 0.000 1.073 156 R CB 0.322 30.573 30.300 -0.081 0.000 1.401 156 R HN 1.312 nan 8.270 nan 0.000 0.590 157 G N 0.396 108.960 108.800 -0.394 0.000 2.157 157 G HA2 -0.357 3.618 3.960 0.025 0.000 0.239 157 G HA3 -0.357 3.618 3.960 0.025 0.000 0.239 157 G C 0.951 175.784 174.900 -0.113 0.000 0.982 157 G CA 0.390 45.320 45.100 -0.284 0.000 0.650 157 G HN 0.425 nan 8.290 nan 0.000 0.527 158 A N -0.293 122.476 122.820 -0.085 0.000 1.902 158 A HA 0.268 4.603 4.320 0.025 0.000 0.217 158 A C 2.552 180.139 177.584 0.006 0.000 1.181 158 A CA 2.559 54.566 52.037 -0.049 0.000 0.623 158 A CB -0.439 18.524 19.000 -0.062 0.000 0.818 158 A HN 1.089 nan 8.150 nan 0.000 0.443 159 V N 0.126 120.048 119.914 0.014 0.000 2.427 159 V HA -0.209 3.926 4.120 0.025 0.000 0.248 159 V C 2.669 178.794 176.094 0.051 0.000 1.051 159 V CA 2.249 64.575 62.300 0.043 0.000 1.048 159 V CB -0.796 31.053 31.823 0.043 0.000 0.666 159 V HN 0.644 nan 8.190 nan 0.000 0.456 160 R N 0.918 121.435 120.500 0.028 0.000 2.096 160 R HA -0.187 4.168 4.340 0.025 0.000 0.235 160 R C 2.162 178.494 176.300 0.053 0.000 1.127 160 R CA 2.096 58.212 56.100 0.027 0.000 0.968 160 R CB -0.645 29.657 30.300 0.003 0.000 0.861 160 R HN 0.645 nan 8.270 nan 0.000 0.440 161 E N -0.554 119.690 120.200 0.073 0.000 2.077 161 E HA -0.190 4.175 4.350 0.025 0.000 0.193 161 E C 1.721 178.461 176.600 0.233 0.000 0.989 161 E CA 1.283 57.770 56.400 0.144 0.000 0.800 161 E CB -0.165 29.622 29.700 0.145 0.000 0.746 161 E HN 0.277 nan 8.360 nan 0.000 0.452 162 L N 0.716 122.093 121.223 0.257 0.000 2.027 162 L HA -0.162 4.194 4.340 0.025 0.000 0.206 162 L C 2.283 179.214 176.870 0.102 0.000 1.074 162 L CA 1.624 56.620 54.840 0.260 0.000 0.745 162 L CB -0.824 41.399 42.059 0.274 0.000 0.898 162 L HN 0.301 nan 8.230 nan 0.000 0.433 163 C N 0.041 119.387 119.300 0.076 0.000 2.398 163 C HA -0.185 4.291 4.460 0.025 0.000 0.276 163 C C 2.363 177.363 174.990 0.017 0.000 1.222 163 C CA 1.030 60.071 59.018 0.037 0.000 1.746 163 C CB -1.213 26.543 27.740 0.027 0.000 2.039 163 C HN 0.589 nan 8.230 nan 0.000 0.470 164 D N 0.358 120.773 120.400 0.023 0.000 2.117 164 D HA -0.087 4.569 4.640 0.025 0.000 0.198 164 D C 1.923 178.213 176.300 -0.016 0.000 0.982 164 D CA 0.709 54.713 54.000 0.007 0.000 0.828 164 D CB -0.633 40.179 40.800 0.020 0.000 0.967 164 D HN 0.365 nan 8.370 nan 0.000 0.464 165 L N 0.683 121.887 121.223 -0.032 0.000 2.013 165 L HA -0.160 4.195 4.340 0.025 0.000 0.212 165 L C 2.084 178.885 176.870 -0.115 0.000 1.073 165 L CA 1.506 56.269 54.840 -0.128 0.000 0.753 165 L CB -0.380 41.495 42.059 -0.308 0.000 0.890 165 L HN 0.007 nan 8.230 nan 0.000 0.432 166 I N -1.194 119.329 120.570 -0.077 0.000 2.202 166 I HA -0.313 3.873 4.170 0.025 0.000 0.242 166 I C 2.363 178.455 176.117 -0.043 0.000 1.091 166 I CA 1.351 62.616 61.300 -0.058 0.000 1.368 166 I CB -0.307 37.677 38.000 -0.026 0.000 1.058 166 I HN 0.258 nan 8.210 nan 0.000 0.410 167 L N 0.372 121.577 121.223 -0.028 0.000 2.046 167 L HA -0.223 4.132 4.340 0.025 0.000 0.208 167 L C 2.340 179.195 176.870 -0.026 0.000 1.077 167 L CA 1.232 56.060 54.840 -0.021 0.000 0.747 167 L CB -0.754 41.297 42.059 -0.012 0.000 0.896 167 L HN 0.327 nan 8.230 nan 0.000 0.432 168 N N 0.271 118.952 118.700 -0.033 0.000 2.120 168 N HA -0.151 4.605 4.740 0.025 0.000 0.188 168 N C 1.893 177.377 175.510 -0.042 0.000 1.024 168 N CA 1.549 54.579 53.050 -0.034 0.000 0.852 168 N CB -0.244 38.221 38.487 -0.036 0.000 1.003 168 N HN 0.312 nan 8.380 nan 0.000 0.424 169 A N 0.986 123.771 122.820 -0.059 0.000 1.940 169 A HA -0.151 4.185 4.320 0.025 0.000 0.219 169 A C 1.890 179.447 177.584 -0.044 0.000 1.176 169 A CA 1.330 53.331 52.037 -0.061 0.000 0.631 169 A CB -0.364 18.587 19.000 -0.083 0.000 0.814 169 A HN 0.386 nan 8.150 nan 0.000 0.446 170 Q N -1.640 118.138 119.800 -0.037 0.000 2.319 170 Q HA 0.065 4.421 4.340 0.025 0.000 0.202 170 Q C -0.023 175.965 176.000 -0.021 0.000 0.896 170 Q CA 0.036 55.822 55.803 -0.028 0.000 0.942 170 Q CB 0.252 28.974 28.738 -0.027 0.000 1.083 170 Q HN 0.644 nan 8.270 nan 0.000 0.510 171 N N 1.263 119.950 118.700 -0.020 0.000 2.727 171 N HA -0.200 4.555 4.740 0.025 0.000 0.249 171 N C -0.426 175.078 175.510 -0.009 0.000 1.048 171 N CA 0.817 53.858 53.050 -0.014 0.000 0.714 171 N CB -0.597 37.883 38.487 -0.013 0.000 0.959 171 N HN 0.258 nan 8.380 nan 0.000 0.544 172 K N -1.165 119.230 120.400 -0.009 0.000 2.374 172 K HA 0.352 4.688 4.320 0.025 0.000 0.202 172 K C 1.631 178.232 176.600 0.001 0.000 1.040 172 K CA 0.424 56.710 56.287 -0.003 0.000 1.085 172 K CB 0.310 32.808 32.500 -0.004 0.000 0.873 172 K HN 0.329 nan 8.250 nan 0.000 0.539 173 A N 1.760 124.579 122.820 -0.002 0.000 1.877 173 A HA -0.189 4.146 4.320 0.025 0.000 0.216 173 A C 1.941 179.530 177.584 0.009 0.000 1.186 173 A CA 1.464 53.502 52.037 0.000 0.000 0.620 173 A CB -0.163 18.835 19.000 -0.003 0.000 0.822 173 A HN 0.122 nan 8.150 nan 0.000 0.443 174 E N -0.342 119.864 120.200 0.009 0.000 2.051 174 E HA -0.166 4.199 4.350 0.025 0.000 0.192 174 E C 2.006 178.620 176.600 0.023 0.000 0.991 174 E CA 0.987 57.396 56.400 0.016 0.000 0.799 174 E CB -0.553 29.154 29.700 0.012 0.000 0.748 174 E HN 0.434 nan 8.360 nan 0.000 0.449 175 L N 0.895 122.129 121.223 0.019 0.000 2.021 175 L HA -0.258 4.097 4.340 0.025 0.000 0.215 175 L C 2.387 179.279 176.870 0.036 0.000 1.074 175 L CA 2.194 57.048 54.840 0.023 0.000 0.760 175 L CB -1.057 41.011 42.059 0.016 0.000 0.889 175 L HN 0.088 nan 8.230 nan 0.000 0.433 176 A N -0.963 121.878 122.820 0.035 0.000 1.858 176 A HA -0.242 4.094 4.320 0.025 0.000 0.216 176 A C 2.273 179.905 177.584 0.081 0.000 1.190 176 A CA 2.074 54.140 52.037 0.048 0.000 0.617 176 A CB -0.877 18.138 19.000 0.025 0.000 0.827 176 A HN 0.351 nan 8.150 nan 0.000 0.443 177 I N -0.309 120.299 120.570 0.064 0.000 2.315 177 I HA -0.128 4.058 4.170 0.025 0.000 0.248 177 I C 2.330 178.527 176.117 0.135 0.000 1.117 177 I CA 2.163 63.522 61.300 0.099 0.000 1.404 177 I CB -0.652 37.380 38.000 0.053 0.000 1.071 177 I HN 0.310 nan 8.210 nan 0.000 0.419 178 T N 0.259 114.863 114.554 0.083 0.000 2.674 178 T HA -0.104 4.261 4.350 0.025 0.000 0.265 178 T C 1.823 176.564 174.700 0.067 0.000 1.039 178 T CA 1.529 63.668 62.100 0.065 0.000 1.150 178 T CB -1.100 67.792 68.868 0.039 0.000 0.864 178 T HN 0.536 nan 8.240 nan 0.000 0.427 179 G N 0.074 108.916 108.800 0.070 0.000 2.446 179 G HA2 -0.277 3.698 3.960 0.025 0.000 0.217 179 G HA3 -0.277 3.698 3.960 0.025 0.000 0.217 179 G C 1.384 176.332 174.900 0.079 0.000 1.168 179 G CA 1.057 46.194 45.100 0.062 0.000 0.771 179 G HN 0.563 nan 8.290 nan 0.000 0.551 180 Y N 1.118 121.423 120.300 0.008 0.000 2.114 180 Y HA -0.107 4.459 4.550 0.027 0.000 0.282 180 Y C 2.442 178.346 175.900 0.008 0.000 1.165 180 Y CA 1.653 59.758 58.100 0.009 0.000 1.148 180 Y CB -0.309 38.157 38.460 0.011 0.000 0.972 180 Y HN 0.107 nan 8.280 nan 0.000 0.504 181 L N 0.314 121.548 121.223 0.018 0.000 2.551 181 L HA -0.118 4.237 4.340 0.025 0.000 0.228 181 L C 1.273 178.069 176.870 -0.123 0.000 1.153 181 L CA 1.096 55.891 54.840 -0.076 0.000 0.851 181 L CB -0.290 41.816 42.059 0.079 0.000 0.959 181 L HN 0.181 nan 8.230 nan 0.000 0.451 182 K N -0.229 120.110 120.400 -0.102 0.000 2.576 182 K HA 0.237 4.572 4.320 0.025 0.000 0.209 182 K C -0.194 176.347 176.600 -0.099 0.000 1.049 182 K CA -0.025 56.217 56.287 -0.076 0.000 1.140 182 K CB 0.539 33.020 32.500 -0.033 0.000 0.871 182 K HN 0.320 nan 8.250 nan 0.000 0.479 183 Q N 0.000 119.697 119.800 -0.172 0.000 2.315 183 Q HA 0.000 4.355 4.340 0.025 0.000 0.214 183 Q CA 0.000 55.712 55.803 -0.152 0.000 1.022 183 Q CB 0.000 28.666 28.738 -0.120 0.000 1.108 183 Q HN 0.000 nan 8.270 nan 0.000 0.481