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 1ets_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVEGQDAEVG LSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTVDDLL DATA SEQUENCE VRIGKHSRTR YRKVEKISML DKIYIHPRYN WENLDRDIAL LKLKRPIELS DATA SEQUENCE DYIHPVCLPD KQTLLHAGFK GRVTGWGNRR ETWEVQPSVL QVVNLPLVER DATA SEQUENCE PVcKASTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDRL GS 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.140 176.117 0.039 0.000 1.063 16 I CA 0.000 61.328 61.300 0.046 0.000 1.566 16 I CB 0.000 38.020 38.000 0.034 0.000 1.214 17 V N 6.734 126.676 119.914 0.046 0.000 2.555 17 V HA 0.024 nan 4.120 nan 0.000 0.286 17 V C 0.493 176.615 176.094 0.048 0.000 1.044 17 V CA -0.099 62.223 62.300 0.037 0.000 1.026 17 V CB -0.250 31.594 31.823 0.036 0.000 0.981 17 V HN 0.861 8.972 8.190 0.059 0.115 0.480 18 E N 2.067 122.288 120.200 0.035 0.000 2.403 18 E HA -0.479 nan 4.350 nan 0.000 0.241 18 E C -0.199 176.428 176.600 0.045 0.000 1.201 18 E CA 0.853 57.276 56.400 0.038 0.000 0.721 18 E CB -2.451 27.276 29.700 0.045 0.000 1.245 18 E HN 0.857 9.232 8.360 0.024 0.000 0.392 19 G N -4.153 104.669 108.800 0.036 0.000 2.563 19 G HA2 0.256 nan 3.960 nan 0.000 0.283 19 G HA3 0.256 nan 3.960 nan 0.000 0.283 19 G C -1.084 173.826 174.900 0.017 0.000 1.309 19 G CA -0.639 44.478 45.100 0.029 0.000 1.022 19 G HN -0.750 7.557 8.290 0.029 0.000 0.501 20 Q N -1.685 118.120 119.800 0.008 0.000 2.241 20 Q HA 0.189 nan 4.340 nan 0.000 0.262 20 Q C -0.292 175.702 176.000 -0.009 0.000 1.014 20 Q CA -1.545 54.261 55.803 0.005 0.000 0.885 20 Q CB 2.403 31.147 28.738 0.010 0.000 1.311 20 Q HN 0.146 8.419 8.270 0.005 0.000 0.461 21 D N 0.493 120.891 120.400 -0.003 0.000 2.533 21 D HA -0.114 nan 4.640 nan 0.000 0.236 21 D C -0.534 175.773 176.300 0.010 0.000 1.137 21 D CA 1.285 55.283 54.000 -0.004 0.000 0.867 21 D CB 0.152 40.962 40.800 0.016 0.000 1.170 21 D HN 0.156 8.529 8.370 0.004 0.000 0.474 22 A N 5.209 128.035 122.820 0.011 0.000 2.340 22 A HA 0.160 nan 4.320 nan 0.000 0.268 22 A C -1.233 176.417 177.584 0.109 0.000 1.100 22 A CA -0.583 51.470 52.037 0.027 0.000 0.803 22 A CB 1.511 20.494 19.000 -0.029 0.000 1.043 22 A HN -0.173 7.960 8.150 -0.028 0.000 0.488 23 E N 0.656 120.871 120.200 0.025 0.000 2.413 23 E HA -0.098 nan 4.350 nan 0.000 0.263 23 E C -0.188 176.364 176.600 -0.080 0.000 1.015 23 E CA -0.340 56.054 56.400 -0.010 0.000 0.916 23 E CB 0.963 30.643 29.700 -0.033 0.000 0.947 23 E HN 0.102 8.457 8.360 -0.008 0.000 0.440 24 V N 1.828 121.621 119.914 -0.201 0.000 2.694 24 V HA -0.275 nan 4.120 nan 0.000 0.306 24 V C 1.220 177.241 176.094 -0.122 0.000 1.054 24 V CA 1.851 63.932 62.300 -0.365 0.000 1.161 24 V CB -0.583 31.037 31.823 -0.339 0.000 0.916 24 V HN 0.298 8.400 8.190 -0.147 0.000 0.490 25 G N 5.723 114.489 108.800 -0.057 0.000 2.203 25 G HA2 -0.441 nan 3.960 nan 0.000 0.263 25 G HA3 -0.441 nan 3.960 nan 0.000 0.263 25 G C 0.154 174.954 174.900 -0.167 0.000 1.012 25 G CA 0.724 45.835 45.100 0.019 0.000 0.749 25 G HN 0.439 8.644 8.290 -0.142 0.000 0.512 26 L N -1.224 119.873 121.223 -0.210 0.000 2.017 26 L HA -0.179 nan 4.340 nan 0.000 0.208 26 L C -0.805 175.704 176.870 -0.602 0.000 1.073 26 L CA 2.364 57.015 54.840 -0.315 0.000 0.745 26 L CB 0.563 42.481 42.059 -0.235 0.000 0.894 26 L HN -0.431 7.652 8.230 -0.156 0.054 0.432 27 S N -4.521 110.766 115.700 -0.688 0.000 2.542 27 S HA 0.376 nan 4.470 nan 0.000 0.245 27 S C -1.984 171.943 174.600 -1.121 0.000 1.325 27 S CA -2.434 54.984 58.200 -1.303 0.000 1.176 27 S CB 0.691 63.323 63.200 -0.946 0.000 1.045 27 S HN -0.349 7.679 8.310 -0.470 0.000 0.481 28 P HA -0.064 nan 4.420 nan 0.000 0.215 28 P C 0.271 177.554 177.300 -0.030 0.000 1.157 28 P CA 1.594 64.504 63.100 -0.317 0.000 0.863 28 P CB 0.177 31.805 31.700 -0.120 0.000 0.787 29 W N -5.152 116.163 121.300 0.026 0.000 2.407 29 W HA -0.323 nan 4.660 nan 0.000 0.271 29 W C -0.533 176.022 176.519 0.060 0.000 1.183 29 W CA -0.406 56.962 57.345 0.038 0.000 1.136 29 W CB -1.824 27.639 29.460 0.005 0.000 1.139 29 W HN -0.447 8.003 8.180 0.449 0.000 0.578 30 Q N 0.564 120.428 119.800 0.108 0.000 2.323 30 Q HA 0.233 nan 4.340 nan 0.000 0.257 30 Q C -1.460 174.680 176.000 0.233 0.000 1.022 30 Q CA -0.303 55.582 55.803 0.137 0.000 0.919 30 Q CB -0.091 28.607 28.738 -0.066 0.000 1.220 30 Q HN -0.617 7.514 8.270 -0.060 0.104 0.427 31 V N 7.045 127.115 119.914 0.260 0.000 2.539 31 V HA 0.591 nan 4.120 nan 0.000 0.292 31 V C -1.125 175.163 176.094 0.323 0.000 1.045 31 V CA -1.752 60.699 62.300 0.250 0.000 0.945 31 V CB 1.087 33.026 31.823 0.193 0.000 0.993 31 V HN 0.134 8.477 8.190 0.254 0.000 0.464 32 M N 2.801 122.564 119.600 0.271 0.000 2.227 32 M HA 0.745 nan 4.480 nan 0.000 0.335 32 M C -1.154 175.279 176.300 0.222 0.000 1.053 32 M CA -1.080 54.381 55.300 0.269 0.000 0.973 32 M CB 2.478 35.209 32.600 0.218 0.000 1.623 32 M HN 0.545 8.944 8.290 0.181 0.000 0.434 33 L N 2.696 124.052 121.223 0.223 0.000 2.361 33 L HA 0.328 nan 4.340 nan 0.000 0.278 33 L C -1.155 175.903 176.870 0.312 0.000 1.113 33 L CA 0.216 55.176 54.840 0.200 0.000 0.849 33 L CB 0.103 42.235 42.059 0.121 0.000 1.155 33 L HN 0.595 8.852 8.230 0.214 0.101 0.452 34 F N 4.333 124.280 119.950 -0.004 0.000 2.458 34 F HA 0.728 nan 4.527 nan 0.000 0.330 34 F C -0.835 174.958 175.800 -0.013 0.000 1.082 34 F CA -1.589 56.402 58.000 -0.016 0.000 0.995 34 F CB 2.589 41.569 39.000 -0.033 0.000 1.170 34 F HN 0.776 9.283 8.300 0.345 0.000 0.478 35 R N 2.002 122.518 120.500 0.026 0.000 2.879 35 R HA 0.240 nan 4.340 nan 0.000 0.219 35 R C 0.056 176.396 176.300 0.067 0.000 1.167 35 R CA -0.387 55.725 56.100 0.020 0.000 1.062 35 R CB 1.145 31.420 30.300 -0.043 0.000 1.093 35 R HN 0.154 8.348 8.270 -0.126 0.000 0.510 36 S N 0.068 115.779 115.700 0.017 0.000 2.515 36 S HA 0.012 nan 4.470 nan 0.000 0.285 36 S C -1.034 173.562 174.600 -0.006 0.000 1.265 36 S CA -0.808 57.395 58.200 0.006 0.000 1.079 36 S CB 0.082 63.282 63.200 0.000 0.000 0.877 36 S HN -0.410 7.906 8.310 0.010 0.000 0.493 37 P HA 0.085 nan 4.420 nan 0.000 0.275 37 P C -1.901 175.385 177.300 -0.024 0.000 1.228 37 P CA -0.466 62.624 63.100 -0.016 0.000 0.786 37 P CB 0.797 32.482 31.700 -0.026 0.000 0.927 38 Q N 1.456 121.255 119.800 -0.002 0.000 2.337 38 Q HA -0.074 nan 4.340 nan 0.000 0.270 38 Q C -1.203 174.702 176.000 -0.158 0.000 1.002 38 Q CA -0.096 55.716 55.803 0.014 0.000 0.888 38 Q CB 0.926 29.748 28.738 0.141 0.000 1.222 38 Q HN 0.120 8.396 8.270 0.009 0.000 0.400 39 E N 4.414 124.344 120.200 -0.449 0.000 2.406 39 E HA 0.200 nan 4.350 nan 0.000 0.297 39 E C -1.997 173.962 176.600 -1.067 0.000 0.917 39 E CA -1.114 54.945 56.400 -0.568 0.000 0.795 39 E CB 2.863 32.394 29.700 -0.281 0.000 1.285 39 E HN -0.182 7.900 8.360 -0.463 0.000 0.400 40 L N 6.005 126.542 121.223 -1.145 0.000 2.559 40 L HA -0.150 nan 4.340 nan 0.000 0.274 40 L C -0.994 175.713 176.870 -0.272 0.000 1.205 40 L CA 0.558 55.000 54.840 -0.664 0.000 0.907 40 L CB -0.010 41.911 42.059 -0.228 0.000 1.153 40 L HN 0.300 7.977 8.230 -0.921 0.000 0.490 41 L N 7.619 128.760 121.223 -0.137 0.000 2.379 41 L HA 0.042 nan 4.340 nan 0.000 0.190 41 L C -1.144 175.746 176.870 0.033 0.000 1.111 41 L CA 0.856 55.672 54.840 -0.040 0.000 0.820 41 L CB 1.742 43.788 42.059 -0.023 0.000 1.046 41 L HN 0.852 9.022 8.230 -0.101 0.000 0.485 42 c N -5.791 112.858 118.600 0.082 0.000 3.318 42 c HA 0.383 nan 4.570 nan 0.000 0.322 42 c C -1.212 172.983 174.090 0.175 0.000 1.398 42 c CA -1.245 55.147 56.329 0.104 0.000 1.339 42 c CB 4.491 47.026 42.510 0.043 0.000 1.668 42 c HN -0.698 7.596 8.230 0.108 0.000 0.462 43 G N -1.424 107.489 108.800 0.189 0.000 2.535 43 G HA2 0.730 nan 3.960 nan 0.000 0.303 43 G HA3 0.730 nan 3.960 nan 0.000 0.303 43 G C -2.776 172.236 174.900 0.186 0.000 1.237 43 G CA -1.136 44.104 45.100 0.234 0.000 0.986 43 G HN 0.402 8.787 8.290 0.157 0.000 0.494 44 A N -2.809 120.136 122.820 0.208 0.000 2.557 44 A HA 0.818 nan 4.320 nan 0.000 0.292 44 A C -2.447 175.268 177.584 0.218 0.000 1.139 44 A CA -0.495 51.655 52.037 0.189 0.000 0.665 44 A CB 3.134 22.232 19.000 0.164 0.000 1.285 44 A HN 0.292 8.587 8.150 0.242 0.000 0.433 45 S N -2.390 113.438 115.700 0.213 0.000 2.532 45 S HA 0.614 nan 4.470 nan 0.000 0.301 45 S C -0.777 173.951 174.600 0.215 0.000 1.083 45 S CA -2.042 56.301 58.200 0.238 0.000 1.025 45 S CB 2.370 65.681 63.200 0.184 0.000 1.056 45 S HN 0.185 8.612 8.310 0.195 0.000 0.494 46 L N 4.148 125.519 121.223 0.246 0.000 2.312 46 L HA 0.385 nan 4.340 nan 0.000 0.287 46 L C -0.277 176.695 176.870 0.170 0.000 1.091 46 L CA -0.515 54.451 54.840 0.210 0.000 0.846 46 L CB -0.344 41.851 42.059 0.228 0.000 1.219 46 L HN 0.406 8.704 8.230 0.326 0.128 0.439 47 I N 1.148 121.809 120.570 0.151 0.000 3.228 47 I HA 0.133 nan 4.170 nan 0.000 0.279 47 I C -0.816 175.350 176.117 0.083 0.000 1.221 47 I CA 0.693 62.046 61.300 0.088 0.000 1.458 47 I CB 0.895 38.940 38.000 0.074 0.000 1.105 47 I HN 0.311 8.632 8.210 0.186 0.000 0.445 48 S N -1.977 113.811 115.700 0.148 0.000 2.656 48 S HA 0.193 nan 4.470 nan 0.000 0.273 48 S C -0.730 173.972 174.600 0.170 0.000 1.168 48 S CA -1.348 56.943 58.200 0.152 0.000 0.817 48 S CB 1.959 65.278 63.200 0.198 0.000 1.146 48 S HN -0.869 7.508 8.310 0.181 0.042 0.475 49 D N -0.369 120.121 120.400 0.151 0.000 2.371 49 D HA -0.053 nan 4.640 nan 0.000 0.234 49 D C -0.368 175.999 176.300 0.113 0.000 1.049 49 D CA 1.737 55.812 54.000 0.125 0.000 0.907 49 D CB -0.646 40.215 40.800 0.102 0.000 0.891 49 D HN 0.478 8.931 8.370 0.139 0.000 0.531 50 R N -5.283 115.308 120.500 0.152 0.000 2.478 50 R HA 0.207 nan 4.340 nan 0.000 0.377 50 R C -2.029 174.161 176.300 -0.184 0.000 0.853 50 R CA -0.598 55.511 56.100 0.015 0.000 1.113 50 R CB -0.153 30.146 30.300 -0.001 0.000 1.725 50 R HN -0.783 7.563 8.270 0.245 0.071 0.524 51 W N -0.435 120.897 121.300 0.052 0.000 2.587 51 W HA 0.329 nan 4.660 nan 0.000 0.324 51 W C -2.120 174.440 176.519 0.068 0.000 1.008 51 W CA -0.324 57.053 57.345 0.053 0.000 1.265 51 W CB 2.058 31.528 29.460 0.017 0.000 1.328 51 W HN -0.708 7.628 8.180 0.261 0.000 0.432 52 V N 5.313 125.363 119.914 0.226 0.000 2.417 52 V HA 0.647 nan 4.120 nan 0.000 0.291 52 V C -1.892 174.341 176.094 0.232 0.000 1.024 52 V CA -1.221 61.196 62.300 0.194 0.000 0.861 52 V CB 1.892 33.791 31.823 0.127 0.000 0.985 52 V HN 0.688 8.966 8.190 0.148 0.000 0.436 53 L N 8.580 129.935 121.223 0.220 0.000 2.375 53 L HA 0.798 nan 4.340 nan 0.000 0.271 53 L C -1.686 175.298 176.870 0.190 0.000 1.107 53 L CA -0.640 54.334 54.840 0.224 0.000 0.806 53 L CB 2.116 44.297 42.059 0.202 0.000 1.146 53 L HN 0.237 8.589 8.230 0.202 0.000 0.447 54 T N 5.011 119.669 114.554 0.174 0.000 2.665 54 T HA 0.415 nan 4.350 nan 0.000 0.303 54 T C -2.416 172.327 174.700 0.072 0.000 1.334 54 T CA -1.171 60.995 62.100 0.111 0.000 1.011 54 T CB 3.390 72.303 68.868 0.074 0.000 1.573 54 T HN 0.482 8.842 8.240 0.201 0.000 0.492 55 A N -0.550 122.253 122.820 -0.028 0.000 2.286 55 A HA 0.490 nan 4.320 nan 0.000 0.286 55 A C 0.241 177.723 177.584 -0.171 0.000 1.097 55 A CA -1.453 50.543 52.037 -0.068 0.000 0.821 55 A CB 0.984 19.884 19.000 -0.166 0.000 1.076 55 A HN 0.405 8.509 8.150 -0.077 0.000 0.490 56 A N 1.505 124.185 122.820 -0.234 0.000 1.933 56 A HA -0.279 nan 4.320 nan 0.000 0.218 56 A C 1.221 178.578 177.584 -0.378 0.000 1.175 56 A CA 3.102 54.855 52.037 -0.474 0.000 0.628 56 A CB -0.302 17.977 19.000 -1.200 0.000 0.814 56 A HN 0.641 8.609 8.150 -0.163 0.084 0.444 57 H N -5.023 113.923 119.070 -0.207 0.000 2.545 57 H HA -0.194 nan 4.556 nan 0.000 0.282 57 H C 1.112 176.455 175.328 0.024 0.000 1.020 57 H CA 2.075 58.137 56.048 0.023 0.000 1.243 57 H CB -1.117 28.724 29.762 0.132 0.000 1.377 57 H HN -0.441 7.975 8.280 -0.031 -0.155 0.581 58 c N -2.273 116.140 118.600 -0.311 0.000 2.432 58 c HA -0.166 nan 4.570 nan 0.000 0.282 58 c C 0.359 174.423 174.090 -0.042 0.000 1.388 58 c CA 1.886 58.128 56.329 -0.145 0.000 1.777 58 c CB -1.033 41.381 42.510 -0.160 0.000 1.882 58 c HN -0.679 7.228 8.230 -0.479 0.035 0.520 59 L N -2.385 118.812 121.223 -0.044 0.000 2.352 59 L HA 0.267 nan 4.340 nan 0.000 0.269 59 L C 0.848 177.721 176.870 0.004 0.000 1.034 59 L CA -0.587 54.242 54.840 -0.018 0.000 0.806 59 L CB 1.144 43.189 42.059 -0.024 0.000 1.244 59 L HN -0.472 7.554 8.230 -0.080 0.156 0.447 60 T N 3.162 117.706 114.554 -0.017 0.000 2.898 60 T HA 0.095 nan 4.350 nan 0.000 0.301 60 T C 1.435 176.123 174.700 -0.020 0.000 1.049 60 T CA -0.351 61.737 62.100 -0.020 0.000 1.095 60 T CB 0.532 69.388 68.868 -0.018 0.000 0.976 60 T HN 0.091 8.320 8.240 -0.017 0.000 0.539 61 V N 3.938 123.835 119.914 -0.029 0.000 2.317 61 V HA -0.372 nan 4.120 nan 0.000 0.251 61 V C 1.640 177.720 176.094 -0.022 0.000 1.065 61 V CA 2.623 64.904 62.300 -0.032 0.000 1.049 61 V CB -0.649 31.146 31.823 -0.047 0.000 0.651 61 V HN 0.498 8.666 8.190 -0.035 0.000 0.450 62 D N -3.343 117.046 120.400 -0.020 0.000 2.338 62 D HA -0.059 nan 4.640 nan 0.000 0.239 62 D C 1.397 177.692 176.300 -0.008 0.000 1.095 62 D CA 2.139 56.130 54.000 -0.014 0.000 0.888 62 D CB -1.251 39.541 40.800 -0.014 0.000 0.899 62 D HN 0.382 8.739 8.370 -0.021 0.000 0.525 63 D N -0.069 120.327 120.400 -0.006 0.000 2.379 63 D HA 0.199 nan 4.640 nan 0.000 0.208 63 D C -1.499 174.807 176.300 0.010 0.000 1.065 63 D CA 0.832 54.831 54.000 -0.002 0.000 0.848 63 D CB 1.123 41.919 40.800 -0.007 0.000 0.949 63 D HN 0.287 8.487 8.370 -0.008 0.164 0.509 64 L N -2.494 118.738 121.223 0.014 0.000 2.350 64 L HA 0.805 nan 4.340 nan 0.000 0.260 64 L C -2.266 174.625 176.870 0.036 0.000 1.015 64 L CA -0.356 54.504 54.840 0.033 0.000 0.821 64 L CB 4.199 46.275 42.059 0.028 0.000 1.370 64 L HN -0.856 7.316 8.230 0.006 0.062 0.416 65 L N -0.464 120.798 121.223 0.064 0.000 2.472 65 L HA 0.622 nan 4.340 nan 0.000 0.260 65 L C -2.720 174.183 176.870 0.055 0.000 0.963 65 L CA -0.393 54.474 54.840 0.045 0.000 0.829 65 L CB 4.579 46.668 42.059 0.050 0.000 1.348 65 L HN 0.337 8.625 8.230 0.097 0.000 0.408 66 V N 5.133 125.060 119.914 0.021 0.000 2.407 66 V HA 0.552 nan 4.120 nan 0.000 0.291 66 V C -1.734 174.356 176.094 -0.007 0.000 1.018 66 V CA -1.471 60.848 62.300 0.033 0.000 0.842 66 V CB 2.135 33.981 31.823 0.039 0.000 0.996 66 V HN 0.615 8.806 8.190 0.002 0.000 0.426 67 R N 8.209 128.685 120.500 -0.040 0.000 2.198 67 R HA 0.598 nan 4.340 nan 0.000 0.339 67 R C -0.933 175.364 176.300 -0.006 0.000 1.020 67 R CA -1.042 55.004 56.100 -0.090 0.000 0.864 67 R CB 0.349 30.485 30.300 -0.274 0.000 1.105 67 R HN 0.380 8.642 8.270 -0.013 0.000 0.463 68 I N 2.882 123.465 120.570 0.022 0.000 2.603 68 I HA 0.460 nan 4.170 nan 0.000 0.300 68 I C -0.293 175.860 176.117 0.059 0.000 1.017 68 I CA -1.208 60.137 61.300 0.074 0.000 1.098 68 I CB 2.095 40.147 38.000 0.086 0.000 1.279 68 I HN 0.474 8.689 8.210 0.008 0.000 0.437 69 G N 4.274 113.131 108.800 0.094 0.000 2.131 69 G HA2 -0.451 nan 3.960 nan 0.000 0.223 69 G HA3 -0.451 nan 3.960 nan 0.000 0.223 69 G C -0.966 173.959 174.900 0.041 0.000 0.990 69 G CA 0.025 45.163 45.100 0.062 0.000 0.671 69 G HN 0.250 8.619 8.290 0.132 0.000 0.521 70 K N -1.016 119.468 120.400 0.140 0.000 2.179 70 K HA 0.344 nan 4.320 nan 0.000 0.238 70 K C -1.882 174.957 176.600 0.399 0.000 1.033 70 K CA -0.334 56.036 56.287 0.137 0.000 0.926 70 K CB 1.177 33.620 32.500 -0.094 0.000 1.151 70 K HN -0.542 7.854 8.250 0.243 0.000 0.492 71 H N -2.643 116.583 119.070 0.261 0.000 1.801 71 H HA 0.209 nan 4.556 nan 0.000 0.144 71 H C -0.099 175.447 175.328 0.362 0.000 1.031 71 H CA 1.204 57.438 56.048 0.310 0.000 0.932 71 H CB 2.957 32.755 29.762 0.060 0.000 0.732 71 H HN -0.061 8.483 8.280 0.198 -0.145 0.326 72 S N -0.389 115.373 115.700 0.104 0.000 2.579 72 S HA -0.017 nan 4.470 nan 0.000 0.275 72 S C 0.514 175.022 174.600 -0.153 0.000 1.345 72 S CA -0.059 58.137 58.200 -0.007 0.000 1.031 72 S CB 0.728 63.916 63.200 -0.021 0.000 0.892 72 S HN -0.583 7.955 8.310 0.145 -0.141 0.529 73 R N 6.760 127.139 120.500 -0.202 0.000 2.112 73 R HA 0.032 nan 4.340 nan 0.000 0.216 73 R C 0.514 176.699 176.300 -0.192 0.000 1.080 73 R CA 2.190 58.043 56.100 -0.412 0.000 0.996 73 R CB 0.467 30.647 30.300 -0.199 0.000 0.902 73 R HN 0.328 8.568 8.270 -0.050 0.000 0.449 74 T N -2.421 112.081 114.554 -0.087 0.000 2.809 74 T HA 0.010 nan 4.350 nan 0.000 0.260 74 T C 0.721 175.405 174.700 -0.027 0.000 1.039 74 T CA 1.103 63.186 62.100 -0.030 0.000 1.141 74 T CB 0.034 68.897 68.868 -0.009 0.000 0.869 74 T HN -0.377 7.822 8.240 -0.068 0.000 0.437 75 R N 1.420 121.894 120.500 -0.044 0.000 2.308 75 R HA 0.228 nan 4.340 nan 0.000 0.305 75 R C -0.758 175.530 176.300 -0.020 0.000 1.053 75 R CA -0.634 55.453 56.100 -0.021 0.000 0.957 75 R CB 0.911 31.192 30.300 -0.031 0.000 1.022 75 R HN -0.616 7.614 8.270 -0.066 0.000 0.461 76 Y N 5.473 125.716 120.300 -0.097 0.000 2.219 76 Y HA 0.012 nan 4.550 nan 0.000 0.375 76 Y C 0.345 176.192 175.900 -0.087 0.000 1.333 76 Y CA 0.753 58.787 58.100 -0.110 0.000 1.799 76 Y CB 0.855 39.257 38.460 -0.097 0.000 1.611 76 Y HN 0.183 8.543 8.280 0.133 0.000 0.635 77 R N -1.363 118.720 120.500 -0.695 0.000 3.059 77 R HA 0.232 nan 4.340 nan 0.000 0.161 77 R C 2.366 178.520 176.300 -0.245 0.000 0.758 77 R CA 0.160 56.020 56.100 -0.400 0.000 1.064 77 R CB -0.017 30.207 30.300 -0.126 0.000 1.538 77 R HN 0.551 8.495 8.270 -0.543 0.000 0.574 78 K N 0.965 121.238 120.400 -0.211 0.000 2.296 78 K HA -0.066 nan 4.320 nan 0.000 0.200 78 K C -0.102 176.417 176.600 -0.135 0.000 1.048 78 K CA 1.463 57.672 56.287 -0.131 0.000 0.966 78 K CB -0.174 32.261 32.500 -0.109 0.000 0.754 78 K HN 0.349 8.455 8.250 -0.239 0.000 0.466 79 V N -4.537 115.247 119.914 -0.216 0.000 3.379 79 V HA 0.142 nan 4.120 nan 0.000 0.249 79 V C -0.575 175.447 176.094 -0.120 0.000 1.184 79 V CA -0.248 61.925 62.300 -0.212 0.000 1.106 79 V CB 1.382 32.973 31.823 -0.388 0.000 0.826 79 V HN -0.534 7.337 8.190 -0.285 0.148 0.465 80 E N 0.024 120.133 120.200 -0.152 0.000 2.151 80 E HA 0.301 nan 4.350 nan 0.000 0.275 80 E C -1.900 174.700 176.600 -0.001 0.000 0.936 80 E CA -0.895 55.443 56.400 -0.104 0.000 0.777 80 E CB 2.055 31.620 29.700 -0.225 0.000 1.108 80 E HN -0.735 7.511 8.360 -0.189 0.000 0.401 81 K N 7.405 127.817 120.400 0.020 0.000 2.339 81 K HA 0.434 nan 4.320 nan 0.000 0.264 81 K C -1.648 174.967 176.600 0.026 0.000 0.986 81 K CA -1.765 54.543 56.287 0.036 0.000 0.866 81 K CB 1.638 34.159 32.500 0.035 0.000 1.103 81 K HN 0.545 8.802 8.250 0.012 0.000 0.441 82 I N 7.630 128.214 120.570 0.023 0.000 2.297 82 I HA 0.194 nan 4.170 nan 0.000 0.291 82 I C -1.033 175.077 176.117 -0.011 0.000 1.033 82 I CA -0.599 60.693 61.300 -0.013 0.000 1.253 82 I CB 0.579 38.554 38.000 -0.042 0.000 1.396 82 I HN 0.548 8.781 8.210 0.038 0.000 0.476 83 S N 6.535 122.230 115.700 -0.008 0.000 2.730 83 S HA 0.323 nan 4.470 nan 0.000 0.284 83 S C -1.637 172.954 174.600 -0.016 0.000 1.153 83 S CA -1.657 56.536 58.200 -0.011 0.000 0.995 83 S CB 1.473 64.668 63.200 -0.007 0.000 1.058 83 S HN 0.432 8.739 8.310 -0.005 0.000 0.552 84 M N -0.334 119.253 119.600 -0.021 0.000 2.662 84 M HA 0.536 nan 4.480 nan 0.000 0.310 84 M C -1.372 174.907 176.300 -0.034 0.000 1.204 84 M CA -1.006 54.281 55.300 -0.021 0.000 0.891 84 M CB 4.311 36.898 32.600 -0.022 0.000 1.732 84 M HN 0.034 8.310 8.290 -0.023 0.000 0.467 85 L N -0.983 120.218 121.223 -0.037 0.000 2.289 85 L HA 0.151 nan 4.340 nan 0.000 0.285 85 L C -0.362 176.467 176.870 -0.069 0.000 1.049 85 L CA 0.018 54.823 54.840 -0.059 0.000 0.804 85 L CB 0.537 42.568 42.059 -0.046 0.000 1.195 85 L HN 0.343 8.556 8.230 -0.028 0.000 0.428 86 D N 4.058 124.403 120.400 -0.092 0.000 2.110 86 D HA -0.086 nan 4.640 nan 0.000 0.202 86 D C -0.563 175.684 176.300 -0.089 0.000 0.975 86 D CA 2.406 56.360 54.000 -0.076 0.000 0.839 86 D CB 1.070 41.831 40.800 -0.066 0.000 0.996 86 D HN 0.403 8.516 8.370 -0.122 0.184 0.464 87 K N -3.089 117.241 120.400 -0.116 0.000 2.426 87 K HA 0.260 nan 4.320 nan 0.000 0.251 87 K C -1.920 174.592 176.600 -0.148 0.000 0.941 87 K CA -1.242 54.940 56.287 -0.175 0.000 0.808 87 K CB 3.192 35.539 32.500 -0.255 0.000 1.265 87 K HN -0.590 7.576 8.250 -0.139 0.000 0.432 88 I N 3.285 123.738 120.570 -0.194 0.000 2.355 88 I HA 0.271 nan 4.170 nan 0.000 0.288 88 I C -0.866 175.177 176.117 -0.124 0.000 0.999 88 I CA -0.948 60.313 61.300 -0.066 0.000 1.163 88 I CB 1.173 39.142 38.000 -0.050 0.000 1.316 88 I HN 0.287 8.337 8.210 -0.267 0.000 0.454 89 Y N 7.385 127.772 120.300 0.146 0.000 2.335 89 Y HA 0.263 nan 4.550 nan 0.000 0.338 89 Y C -1.523 174.482 175.900 0.176 0.000 0.977 89 Y CA -1.255 56.964 58.100 0.198 0.000 1.114 89 Y CB 2.269 40.922 38.460 0.321 0.000 1.182 89 Y HN 0.833 9.355 8.280 0.403 0.000 0.463 90 I N 1.627 122.348 120.570 0.251 0.000 2.608 90 I HA 0.309 nan 4.170 nan 0.000 0.295 90 I C -0.956 175.221 176.117 0.099 0.000 1.049 90 I CA -2.028 59.346 61.300 0.123 0.000 1.063 90 I CB 3.169 41.220 38.000 0.085 0.000 1.248 90 I HN 0.074 8.431 8.210 0.246 0.000 0.424 91 H N 7.292 126.281 119.070 -0.136 0.000 2.964 91 H HA 0.140 nan 4.556 nan 0.000 0.328 91 H C 0.280 175.595 175.328 -0.023 0.000 1.030 91 H CA 0.035 55.937 56.048 -0.244 0.000 1.445 91 H CB 0.899 30.420 29.762 -0.402 0.000 1.449 91 H HN -0.027 8.246 8.280 -0.012 0.000 0.581 92 P HA -0.291 nan 4.420 nan 0.000 0.218 92 P C 0.107 177.525 177.300 0.197 0.000 1.152 92 P CA 1.905 65.142 63.100 0.229 0.000 0.857 92 P CB 0.311 32.109 31.700 0.163 0.000 0.787 93 R N -5.531 115.099 120.500 0.216 0.000 2.633 93 R HA 0.222 nan 4.340 nan 0.000 0.348 93 R C -0.354 175.854 176.300 -0.153 0.000 1.100 93 R CA -1.363 54.691 56.100 -0.076 0.000 1.068 93 R CB -0.109 30.099 30.300 -0.152 0.000 1.351 93 R HN -0.367 8.269 8.270 0.679 0.042 0.575 94 Y N 3.818 124.041 120.300 -0.128 0.000 2.697 94 Y HA -0.211 nan 4.550 nan 0.000 0.349 94 Y C -1.714 174.162 175.900 -0.040 0.000 1.120 94 Y CA -1.483 56.583 58.100 -0.057 0.000 1.468 94 Y CB -0.508 37.998 38.460 0.076 0.000 1.182 94 Y HN -0.835 7.485 8.280 0.204 0.082 0.525 95 N N 9.194 127.733 118.700 -0.269 0.000 2.817 95 N HA 0.165 nan 4.740 nan 0.000 0.234 95 N C -0.815 174.400 175.510 -0.492 0.000 1.066 95 N CA -2.405 50.384 53.050 -0.434 0.000 0.926 95 N CB -0.185 38.120 38.487 -0.303 0.000 1.176 95 N HN 0.485 8.695 8.380 -0.088 0.117 0.506 96 W N 3.671 124.600 121.300 -0.617 0.000 1.830 96 W HA 0.029 nan 4.660 nan 0.000 0.461 96 W C -0.104 176.231 176.519 -0.307 0.000 0.613 96 W CA -1.484 55.548 57.345 -0.521 0.000 2.422 96 W CB -2.122 27.017 29.460 -0.535 0.000 1.059 96 W HN -0.159 7.394 8.180 -1.045 0.000 0.479 97 E N 4.864 124.909 120.200 -0.257 0.000 4.202 97 E HA -0.501 nan 4.350 nan 0.000 0.204 97 E C -0.783 175.656 176.600 -0.268 0.000 1.313 97 E CA 2.724 58.982 56.400 -0.236 0.000 2.172 97 E CB -0.971 28.588 29.700 -0.234 0.000 1.910 97 E HN -0.209 8.011 8.360 -0.233 0.000 0.262 98 N N -4.237 114.288 118.700 -0.290 0.000 2.361 98 N HA 0.024 nan 4.740 nan 0.000 0.253 98 N C -0.835 174.468 175.510 -0.344 0.000 1.413 98 N CA -0.472 52.354 53.050 -0.373 0.000 0.821 98 N CB 1.202 39.525 38.487 -0.274 0.000 1.380 98 N HN -0.099 8.120 8.380 -0.269 0.000 0.493 99 L N -1.973 119.102 121.223 -0.247 0.000 3.781 99 L HA -0.488 nan 4.340 nan 0.000 0.426 99 L C -1.371 175.543 176.870 0.073 0.000 1.197 99 L CA 1.017 55.827 54.840 -0.049 0.000 0.907 99 L CB -2.065 39.941 42.059 -0.088 0.000 1.812 99 L HN -0.153 7.930 8.230 -0.246 0.000 0.956 100 D N -1.327 119.067 120.400 -0.009 0.000 2.341 100 D HA 0.027 nan 4.640 nan 0.000 0.245 100 D C -0.176 176.153 176.300 0.047 0.000 1.106 100 D CA 0.040 54.048 54.000 0.013 0.000 0.905 100 D CB 1.076 41.841 40.800 -0.058 0.000 1.202 100 D HN -0.956 7.346 8.370 -0.098 0.010 0.426 101 R N -0.213 120.294 120.500 0.011 0.000 3.405 101 R HA -0.504 nan 4.340 nan 0.000 0.258 101 R C -0.868 175.467 176.300 0.058 0.000 1.030 101 R CA 1.137 57.192 56.100 -0.074 0.000 0.691 101 R CB -2.204 27.821 30.300 -0.459 0.000 1.093 101 R HN 0.848 9.136 8.270 0.030 0.000 0.448 102 D N -0.656 119.839 120.400 0.159 0.000 2.597 102 D HA -0.034 nan 4.640 nan 0.000 0.228 102 D C -1.848 174.464 176.300 0.020 0.000 1.120 102 D CA 0.690 54.754 54.000 0.106 0.000 1.083 102 D CB -0.393 40.566 40.800 0.265 0.000 1.116 102 D HN -0.259 8.191 8.370 0.177 0.027 0.487 103 I N 1.299 121.839 120.570 -0.050 0.000 2.828 103 I HA 0.795 nan 4.170 nan 0.000 0.302 103 I C -3.078 173.035 176.117 -0.006 0.000 1.101 103 I CA -2.093 59.224 61.300 0.029 0.000 1.031 103 I CB 4.025 42.111 38.000 0.143 0.000 1.231 103 I HN -0.473 7.635 8.210 -0.103 0.041 0.427 104 A N 4.274 127.173 122.820 0.133 0.000 2.612 104 A HA 0.893 nan 4.320 nan 0.000 0.293 104 A C -3.443 174.337 177.584 0.327 0.000 1.075 104 A CA -0.799 51.358 52.037 0.200 0.000 0.680 104 A CB 3.832 22.881 19.000 0.080 0.000 1.279 104 A HN 0.350 8.603 8.150 0.172 0.000 0.411 105 L N -0.507 120.969 121.223 0.423 0.000 2.464 105 L HA 0.872 nan 4.340 nan 0.000 0.266 105 L C -2.635 174.513 176.870 0.462 0.000 0.965 105 L CA -0.787 54.344 54.840 0.485 0.000 0.833 105 L CB 4.477 46.886 42.059 0.583 0.000 1.296 105 L HN 0.540 8.924 8.230 0.423 0.100 0.405 106 L N 5.196 126.588 121.223 0.283 0.000 2.333 106 L HA 0.694 nan 4.340 nan 0.000 0.280 106 L C -1.985 174.708 176.870 -0.295 0.000 1.004 106 L CA -1.569 53.306 54.840 0.058 0.000 0.820 106 L CB 2.141 44.231 42.059 0.052 0.000 1.247 106 L HN 0.864 9.278 8.230 0.306 0.000 0.416 107 K N 3.852 123.943 120.400 -0.516 0.000 2.185 107 K HA 0.553 nan 4.320 nan 0.000 0.269 107 K C -0.640 175.713 176.600 -0.412 0.000 0.987 107 K CA -1.648 54.083 56.287 -0.926 0.000 0.865 107 K CB 2.090 34.104 32.500 -0.811 0.000 1.090 107 K HN 0.351 8.449 8.250 -0.253 0.000 0.450 108 L N 6.045 127.056 121.223 -0.355 0.000 2.468 108 L HA -0.088 nan 4.340 nan 0.000 0.253 108 L C -0.187 176.605 176.870 -0.130 0.000 1.237 108 L CA 0.987 55.723 54.840 -0.174 0.000 0.823 108 L CB 0.202 42.190 42.059 -0.119 0.000 1.124 108 L HN 0.452 8.396 8.230 -0.477 0.000 0.504 109 K N -0.161 120.194 120.400 -0.075 0.000 2.228 109 K HA -0.170 nan 4.320 nan 0.000 0.202 109 K C 0.119 176.697 176.600 -0.038 0.000 1.051 109 K CA 1.418 57.674 56.287 -0.051 0.000 0.960 109 K CB 0.881 33.360 32.500 -0.035 0.000 0.743 109 K HN 0.336 8.548 8.250 -0.062 0.000 0.458 110 R N -1.414 119.065 120.500 -0.035 0.000 2.522 110 R HA 0.429 nan 4.340 nan 0.000 0.283 110 R C -2.957 173.337 176.300 -0.010 0.000 1.074 110 R CA -2.852 53.239 56.100 -0.015 0.000 0.925 110 R CB 1.909 32.203 30.300 -0.010 0.000 1.205 110 R HN -0.436 7.754 8.270 -0.047 0.052 0.436 111 P HA -0.054 nan 4.420 nan 0.000 0.265 111 P C -1.006 176.311 177.300 0.028 0.000 1.187 111 P CA 0.554 63.668 63.100 0.024 0.000 0.766 111 P CB 0.262 31.985 31.700 0.037 0.000 0.820 112 I N 2.868 123.462 120.570 0.040 0.000 2.488 112 I HA 0.038 nan 4.170 nan 0.000 0.299 112 I C -0.548 175.597 176.117 0.047 0.000 0.984 112 I CA -1.899 59.426 61.300 0.043 0.000 1.250 112 I CB 2.287 40.319 38.000 0.053 0.000 1.389 112 I HN 0.376 8.505 8.210 0.051 0.111 0.488 113 E N 6.093 126.316 120.200 0.038 0.000 2.152 113 E HA -0.013 nan 4.350 nan 0.000 0.285 113 E C -0.662 175.958 176.600 0.034 0.000 1.043 113 E CA -0.523 55.896 56.400 0.032 0.000 0.839 113 E CB 0.654 30.367 29.700 0.022 0.000 1.069 113 E HN 0.044 8.425 8.360 0.034 0.000 0.399 114 L N 5.548 126.790 121.223 0.032 0.000 2.483 114 L HA 0.035 nan 4.340 nan 0.000 0.276 114 L C -0.222 176.634 176.870 -0.023 0.000 1.213 114 L CA 0.482 55.334 54.840 0.019 0.000 0.843 114 L CB 0.356 42.420 42.059 0.010 0.000 1.107 114 L HN 0.277 8.527 8.230 0.033 0.000 0.487 115 S N 1.289 116.971 115.700 -0.029 0.000 2.732 115 S HA 0.341 nan 4.470 nan 0.000 0.293 115 S C 0.007 174.524 174.600 -0.138 0.000 1.159 115 S CA -1.304 56.864 58.200 -0.052 0.000 0.847 115 S CB 2.613 65.836 63.200 0.038 0.000 1.169 115 S HN -0.085 8.222 8.310 -0.005 0.000 0.501 116 D N 0.482 120.739 120.400 -0.237 0.000 2.311 116 D HA -0.265 nan 4.640 nan 0.000 0.204 116 D C -0.293 175.723 176.300 -0.475 0.000 1.000 116 D CA 3.395 57.109 54.000 -0.476 0.000 0.910 116 D CB -0.171 40.089 40.800 -0.900 0.000 0.900 116 D HN 0.708 8.959 8.370 -0.199 0.000 0.463 117 Y N -5.544 114.715 120.300 -0.070 0.000 2.563 117 Y HA 0.177 nan 4.550 nan 0.000 0.250 117 Y C -1.075 174.807 175.900 -0.029 0.000 1.126 117 Y CA -0.359 57.702 58.100 -0.064 0.000 1.231 117 Y CB 1.918 40.341 38.460 -0.062 0.000 1.288 117 Y HN -0.860 7.319 8.280 0.026 0.116 0.537 118 I N -1.242 119.403 120.570 0.126 0.000 2.560 118 I HA 0.163 nan 4.170 nan 0.000 0.283 118 I C -2.134 174.097 176.117 0.190 0.000 1.115 118 I CA -0.336 61.048 61.300 0.140 0.000 1.066 118 I CB 2.379 40.448 38.000 0.116 0.000 1.221 118 I HN -0.273 7.874 8.210 0.059 0.099 0.450 119 H N 7.805 126.945 119.070 0.117 0.000 3.151 119 H HA 0.264 nan 4.556 nan 0.000 0.333 119 H C -3.078 172.398 175.328 0.246 0.000 1.093 119 H CA -1.784 54.347 56.048 0.138 0.000 1.342 119 H CB 3.449 33.273 29.762 0.104 0.000 1.983 119 H HN -0.404 8.040 8.280 0.274 0.000 0.503 120 P HA -0.167 nan 4.420 nan 0.000 0.265 120 P C -1.268 176.000 177.300 -0.053 0.000 1.187 120 P CA 0.335 63.461 63.100 0.044 0.000 0.766 120 P CB 0.440 32.118 31.700 -0.036 0.000 0.820 121 V N 1.697 121.512 119.914 -0.166 0.000 2.881 121 V HA 0.011 nan 4.120 nan 0.000 0.303 121 V C 0.432 176.306 176.094 -0.366 0.000 1.070 121 V CA -0.634 61.341 62.300 -0.541 0.000 1.074 121 V CB 1.693 33.219 31.823 -0.495 0.000 1.012 121 V HN -0.246 7.918 8.190 -0.044 0.000 0.482 122 C N 7.111 126.147 119.300 -0.439 0.000 2.452 122 C HA 0.246 nan 4.460 nan 0.000 0.379 122 C C -0.643 174.220 174.990 -0.212 0.000 1.275 122 C CA -0.319 58.447 59.018 -0.419 0.000 2.056 122 C CB -0.549 26.639 27.740 -0.920 0.000 2.506 122 C HN 0.007 7.926 8.230 -0.518 0.000 0.560 123 L N 3.493 124.673 121.223 -0.071 0.000 2.472 123 L HA 0.265 nan 4.340 nan 0.000 0.260 123 L C -1.767 175.246 176.870 0.238 0.000 1.209 123 L CA -1.395 53.488 54.840 0.071 0.000 0.817 123 L CB -0.413 41.674 42.059 0.046 0.000 1.106 123 L HN 0.409 8.585 8.230 -0.091 0.000 0.479 124 P HA 0.163 nan 4.420 nan 0.000 0.281 124 P C -1.887 175.562 177.300 0.249 0.000 1.249 124 P CA -0.800 62.448 63.100 0.247 0.000 0.810 124 P CB 0.917 32.667 31.700 0.083 0.000 1.008 125 D N -2.029 118.385 120.400 0.023 0.000 2.374 125 D HA 0.109 nan 4.640 nan 0.000 0.239 125 D C 0.949 177.085 176.300 -0.273 0.000 0.991 125 D CA -2.118 51.923 54.000 0.070 0.000 0.960 125 D CB 1.771 42.614 40.800 0.071 0.000 1.284 125 D HN -0.337 7.968 8.370 -0.109 0.000 0.512 126 K N -0.621 119.768 120.400 -0.018 0.000 2.071 126 K HA -0.518 nan 4.320 nan 0.000 0.217 126 K C 1.980 178.434 176.600 -0.244 0.000 1.054 126 K CA 4.266 60.501 56.287 -0.086 0.000 0.937 126 K CB -0.222 32.351 32.500 0.121 0.000 0.719 126 K HN 0.359 8.755 8.250 0.243 0.000 0.454 127 Q N -1.512 118.187 119.800 -0.168 0.000 2.084 127 Q HA -0.165 nan 4.340 nan 0.000 0.202 127 Q C 0.856 176.689 176.000 -0.279 0.000 0.978 127 Q CA 2.137 57.836 55.803 -0.174 0.000 0.844 127 Q CB 0.188 28.861 28.738 -0.109 0.000 0.898 127 Q HN -0.417 7.918 8.270 -0.105 -0.129 0.426 128 T N 1.914 116.242 114.554 -0.376 0.000 2.738 128 T HA -0.048 nan 4.350 nan 0.000 0.293 128 T C 0.284 174.673 174.700 -0.519 0.000 0.913 128 T CA 2.278 64.077 62.100 -0.502 0.000 1.103 128 T CB -0.899 67.505 68.868 -0.774 0.000 0.880 128 T HN -0.444 7.798 8.240 -0.348 -0.211 0.526 129 L N 1.525 122.555 121.223 -0.321 0.000 2.058 129 L HA -0.253 nan 4.340 nan 0.000 0.485 129 L C -0.667 176.135 176.870 -0.113 0.000 0.735 129 L CA 1.262 56.010 54.840 -0.154 0.000 2.852 129 L CB -0.722 41.200 42.059 -0.228 0.000 0.918 129 L HN 0.562 8.571 8.230 -0.368 0.000 0.669 130 L N 0.877 121.886 121.223 -0.357 0.000 2.399 130 L HA 0.124 nan 4.340 nan 0.000 0.257 130 L C -0.754 175.888 176.870 -0.380 0.000 1.236 130 L CA 0.086 54.715 54.840 -0.352 0.000 1.144 130 L CB -2.148 39.670 42.059 -0.402 0.000 1.379 130 L HN -0.367 7.603 8.230 -0.432 0.000 0.414 131 H N 1.663 120.538 119.070 -0.324 0.000 2.690 131 H HA 0.158 nan 4.556 nan 0.000 0.368 131 H C -1.055 173.904 175.328 -0.616 0.000 1.150 131 H CA -1.734 53.978 56.048 -0.561 0.000 1.174 131 H CB 3.368 32.612 29.762 -0.864 0.000 1.684 131 H HN 0.006 8.123 8.280 -0.199 0.043 0.538 132 A N 0.954 123.595 122.820 -0.298 0.000 2.548 132 A HA -0.205 nan 4.320 nan 0.000 0.247 132 A C 0.381 177.802 177.584 -0.271 0.000 1.067 132 A CA 1.538 53.428 52.037 -0.244 0.000 0.757 132 A CB -1.043 17.844 19.000 -0.189 0.000 0.996 132 A HN 0.365 8.380 8.150 -0.225 0.000 0.504 133 G N 3.670 112.386 108.800 -0.140 0.000 2.213 133 G HA2 -0.331 nan 3.960 nan 0.000 0.226 133 G HA3 -0.331 nan 3.960 nan 0.000 0.226 133 G C -0.867 174.138 174.900 0.176 0.000 0.992 133 G CA -0.316 44.773 45.100 -0.019 0.000 0.632 133 G HN 0.347 8.462 8.290 -0.114 0.106 0.511 134 F N 2.200 122.140 119.950 -0.017 0.000 2.427 134 F HA 0.059 nan 4.527 nan 0.000 0.352 134 F C -0.598 175.196 175.800 -0.010 0.000 1.100 134 F CA -2.080 55.909 58.000 -0.019 0.000 1.191 134 F CB 0.869 39.850 39.000 -0.031 0.000 1.128 134 F HN -0.457 7.733 8.300 -0.061 0.073 0.533 135 K N 3.404 123.907 120.400 0.172 0.000 2.201 135 K HA 0.543 nan 4.320 nan 0.000 0.278 135 K C -0.515 176.094 176.600 0.015 0.000 1.027 135 K CA -0.570 55.766 56.287 0.082 0.000 0.909 135 K CB 1.476 34.008 32.500 0.054 0.000 1.062 135 K HN 0.216 8.544 8.250 0.131 0.000 0.465 136 G N 1.145 109.918 108.800 -0.046 0.000 3.016 136 G HA2 0.703 nan 3.960 nan 0.000 0.270 136 G HA3 0.703 nan 3.960 nan 0.000 0.270 136 G C -2.648 171.969 174.900 -0.472 0.000 1.352 136 G CA -1.532 43.283 45.100 -0.475 0.000 1.060 136 G HN 0.481 8.820 8.290 0.082 0.000 0.538 137 R N -1.502 118.648 120.500 -0.584 0.000 2.532 137 R HA 0.768 nan 4.340 nan 0.000 0.297 137 R C -1.862 174.323 176.300 -0.191 0.000 0.984 137 R CA -0.970 55.007 56.100 -0.206 0.000 0.884 137 R CB 3.469 33.788 30.300 0.032 0.000 1.182 137 R HN 0.170 7.918 8.270 -0.870 0.000 0.442 138 V N 6.518 126.420 119.914 -0.019 0.000 2.715 138 V HA 0.796 nan 4.120 nan 0.000 0.310 138 V C -1.588 174.544 176.094 0.063 0.000 1.054 138 V CA -2.010 60.361 62.300 0.118 0.000 0.928 138 V CB 2.762 34.756 31.823 0.285 0.000 1.007 138 V HN 0.334 8.528 8.190 0.006 0.000 0.437 139 T N 0.105 114.689 114.554 0.049 0.000 2.865 139 T HA 0.812 nan 4.350 nan 0.000 0.294 139 T C -1.267 173.379 174.700 -0.090 0.000 1.119 139 T CA -2.416 59.644 62.100 -0.066 0.000 1.007 139 T CB 3.427 72.216 68.868 -0.131 0.000 1.225 139 T HN 0.108 8.410 8.240 0.103 0.000 0.515 140 G N -1.159 107.490 108.800 -0.252 0.000 2.356 140 G HA2 0.132 nan 3.960 nan 0.000 0.288 140 G HA3 0.132 nan 3.960 nan 0.000 0.288 140 G C -2.092 172.635 174.900 -0.289 0.000 1.302 140 G CA 0.287 45.233 45.100 -0.257 0.000 0.887 140 G HN -0.201 7.896 8.290 -0.322 0.000 0.521 141 W N 0.184 121.510 121.300 0.044 0.000 2.771 141 W HA 0.400 nan 4.660 nan 0.000 0.412 141 W C -0.762 175.774 176.519 0.028 0.000 0.965 141 W CA -1.570 55.791 57.345 0.026 0.000 2.045 141 W CB 0.736 30.217 29.460 0.035 0.000 1.176 141 W HN 0.112 8.488 8.180 0.327 0.000 0.634 142 G N -2.062 106.851 108.800 0.189 0.000 2.488 142 G HA2 0.076 nan 3.960 nan 0.000 0.318 142 G HA3 0.076 nan 3.960 nan 0.000 0.318 142 G C -0.803 174.148 174.900 0.084 0.000 1.188 142 G CA -1.008 44.171 45.100 0.132 0.000 0.944 142 G HN -0.497 8.049 8.290 0.137 -0.174 0.495 143 N N 1.187 119.921 118.700 0.057 0.000 1.807 143 N HA -0.392 nan 4.740 nan 0.000 0.325 143 N C 0.669 176.191 175.510 0.021 0.000 1.287 143 N CA 1.735 54.801 53.050 0.027 0.000 0.790 143 N CB -0.359 38.133 38.487 0.007 0.000 1.020 143 N HN -0.143 8.271 8.380 0.057 0.000 0.505 144 R N 2.123 122.630 120.500 0.011 0.000 2.307 144 R HA -0.149 nan 4.340 nan 0.000 0.199 144 R C -1.026 175.268 176.300 -0.012 0.000 1.000 144 R CA 1.544 57.648 56.100 0.006 0.000 1.023 144 R CB 0.736 31.040 30.300 0.007 0.000 0.908 144 R HN 0.120 8.396 8.270 0.011 0.000 0.473 145 R N -5.811 114.670 120.500 -0.032 0.000 2.728 145 R HA 0.173 nan 4.340 nan 0.000 0.274 145 R C -2.429 173.816 176.300 -0.091 0.000 1.030 145 R CA -1.766 54.299 56.100 -0.059 0.000 0.876 145 R CB 1.426 31.676 30.300 -0.083 0.000 1.259 145 R HN -0.703 7.496 8.270 -0.032 0.051 0.468 146 E N 0.799 120.932 120.200 -0.112 0.000 2.376 146 E HA -0.087 nan 4.350 nan 0.000 0.266 146 E C -1.182 175.241 176.600 -0.295 0.000 1.009 146 E CA 0.679 56.991 56.400 -0.147 0.000 0.902 146 E CB 0.421 30.051 29.700 -0.116 0.000 0.972 146 E HN 0.305 8.605 8.360 -0.100 0.000 0.439 147 T N 5.446 119.819 114.554 -0.303 0.000 2.909 147 T HA 0.229 nan 4.350 nan 0.000 0.299 147 T C 0.150 174.619 174.700 -0.385 0.000 1.073 147 T CA -1.242 60.599 62.100 -0.432 0.000 0.999 147 T CB 1.785 70.527 68.868 -0.210 0.000 1.098 147 T HN 0.399 8.523 8.240 -0.194 0.000 0.477 148 W N 3.425 124.734 121.300 0.015 0.000 2.436 148 W HA -0.044 nan 4.660 nan 0.000 0.284 148 W C 0.995 177.521 176.519 0.011 0.000 1.225 148 W CA -0.248 57.104 57.345 0.012 0.000 1.271 148 W CB -0.326 29.140 29.460 0.010 0.000 1.114 148 W HN 0.438 8.167 8.180 -0.751 0.000 0.559 149 E N -2.951 117.256 120.200 0.011 0.000 4.979 149 E HA -0.258 nan 4.350 nan 0.000 0.189 149 E C 1.214 177.818 176.600 0.006 0.000 1.006 149 E CA 0.915 57.321 56.400 0.011 0.000 2.188 149 E CB -0.850 28.859 29.700 0.015 0.000 1.757 149 E HN 0.139 8.506 8.360 0.012 0.000 0.479 150 V N -2.600 117.312 119.914 -0.003 0.000 3.451 150 V HA 0.092 nan 4.120 nan 0.000 0.332 150 V C -1.364 174.737 176.094 0.011 0.000 1.198 150 V CA -0.087 62.209 62.300 -0.005 0.000 1.317 150 V CB -1.745 30.060 31.823 -0.030 0.000 1.117 150 V HN -0.066 8.120 8.190 -0.008 0.000 0.421 151 Q N 1.026 120.839 119.800 0.021 0.000 2.290 151 Q HA 0.434 nan 4.340 nan 0.000 0.259 151 Q C -2.177 173.856 176.000 0.054 0.000 0.941 151 Q CA -3.152 52.675 55.803 0.040 0.000 0.912 151 Q CB 1.409 30.167 28.738 0.034 0.000 1.244 151 Q HN -0.485 7.732 8.270 0.018 0.065 0.441 152 P HA -0.026 nan 4.420 nan 0.000 0.264 152 P C 0.491 177.852 177.300 0.102 0.000 1.183 152 P CA 0.223 63.377 63.100 0.090 0.000 0.763 152 P CB 0.385 32.156 31.700 0.119 0.000 0.807 153 S N 4.119 119.856 115.700 0.062 0.000 2.348 153 S HA -0.233 nan 4.470 nan 0.000 0.221 153 S C -0.297 174.334 174.600 0.050 0.000 1.033 153 S CA 2.791 61.016 58.200 0.042 0.000 1.010 153 S CB 0.244 63.456 63.200 0.019 0.000 0.891 153 S HN 0.329 8.665 8.310 0.043 0.000 0.442 154 V N -0.116 119.813 119.914 0.025 0.000 2.823 154 V HA 0.340 nan 4.120 nan 0.000 0.312 154 V C -1.291 174.770 176.094 -0.056 0.000 1.072 154 V CA -1.144 61.099 62.300 -0.095 0.000 0.937 154 V CB 2.907 34.591 31.823 -0.232 0.000 1.013 154 V HN -0.558 7.648 8.190 0.026 0.000 0.430 155 L N 4.973 126.081 121.223 -0.191 0.000 2.573 155 L HA -0.114 nan 4.340 nan 0.000 0.290 155 L C -1.075 175.592 176.870 -0.337 0.000 1.247 155 L CA 1.491 55.956 54.840 -0.625 0.000 0.876 155 L CB 1.315 42.877 42.059 -0.829 0.000 1.123 155 L HN 0.186 8.331 8.230 -0.143 0.000 0.505 156 Q N 3.297 122.910 119.800 -0.310 0.000 2.309 156 Q HA 0.671 nan 4.340 nan 0.000 0.264 156 Q C -2.143 173.775 176.000 -0.135 0.000 1.008 156 Q CA -1.639 54.074 55.803 -0.149 0.000 0.853 156 Q CB 2.869 31.560 28.738 -0.079 0.000 1.314 156 Q HN 0.025 8.032 8.270 -0.438 0.000 0.448 157 V N 2.503 122.373 119.914 -0.073 0.000 2.709 157 V HA 0.793 nan 4.120 nan 0.000 0.308 157 V C -2.983 173.113 176.094 0.002 0.000 1.062 157 V CA -1.908 60.364 62.300 -0.047 0.000 0.901 157 V CB 3.215 35.003 31.823 -0.058 0.000 1.003 157 V HN -0.068 8.090 8.190 -0.053 0.000 0.425 158 V N 7.104 127.034 119.914 0.027 0.000 3.078 158 V HA 0.580 nan 4.120 nan 0.000 0.311 158 V C -3.025 173.108 176.094 0.064 0.000 1.138 158 V CA -1.826 60.512 62.300 0.063 0.000 1.007 158 V CB 4.606 36.483 31.823 0.089 0.000 1.045 158 V HN 0.705 8.909 8.190 0.022 0.000 0.432 159 N N 3.151 121.906 118.700 0.092 0.000 2.399 159 N HA 0.764 nan 4.740 nan 0.000 0.280 159 N C -1.615 173.950 175.510 0.091 0.000 1.008 159 N CA -0.266 52.827 53.050 0.072 0.000 0.894 159 N CB 2.299 40.834 38.487 0.081 0.000 1.273 159 N HN 0.302 8.757 8.380 0.125 0.000 0.486 160 L N 1.791 123.028 121.223 0.023 0.000 2.408 160 L HA 0.619 nan 4.340 nan 0.000 0.268 160 L C -2.496 174.327 176.870 -0.078 0.000 0.986 160 L CA -3.495 51.285 54.840 -0.100 0.000 0.820 160 L CB 2.824 44.891 42.059 0.013 0.000 1.303 160 L HN 0.453 8.691 8.230 0.013 0.000 0.411 161 P HA 0.193 nan 4.420 nan 0.000 0.276 161 P C -1.000 176.253 177.300 -0.077 0.000 1.230 161 P CA -0.567 62.462 63.100 -0.117 0.000 0.776 161 P CB 0.292 31.889 31.700 -0.171 0.000 0.888 162 L N 2.987 124.197 121.223 -0.020 0.000 2.499 162 L HA 0.074 nan 4.340 nan 0.000 0.273 162 L C -0.204 176.579 176.870 -0.145 0.000 1.195 162 L CA 0.682 55.464 54.840 -0.096 0.000 0.882 162 L CB -0.330 41.660 42.059 -0.114 0.000 1.133 162 L HN 0.495 8.756 8.230 0.051 0.000 0.483 163 V N 0.991 120.789 119.914 -0.194 0.000 2.815 163 V HA 0.470 nan 4.120 nan 0.000 0.314 163 V C -1.720 174.238 176.094 -0.227 0.000 1.064 163 V CA -2.823 59.319 62.300 -0.262 0.000 0.952 163 V CB 3.401 34.932 31.823 -0.486 0.000 1.020 163 V HN 0.086 8.164 8.190 -0.186 0.000 0.439 164 E N 3.572 123.649 120.200 -0.205 0.000 2.366 164 E HA 0.048 nan 4.350 nan 0.000 0.266 164 E C 0.307 176.833 176.600 -0.123 0.000 1.051 164 E CA -0.762 55.554 56.400 -0.141 0.000 0.884 164 E CB 1.073 30.699 29.700 -0.122 0.000 1.006 164 E HN 0.123 8.346 8.360 -0.227 0.000 0.417 165 R N 2.927 123.390 120.500 -0.062 0.000 2.080 165 R HA -0.231 nan 4.340 nan 0.000 0.236 165 R C -0.102 176.193 176.300 -0.008 0.000 1.137 165 R CA 5.373 61.464 56.100 -0.016 0.000 0.943 165 R CB -1.839 28.476 30.300 0.025 0.000 0.846 165 R HN 0.794 9.034 8.270 -0.050 0.000 0.431 166 P HA -0.310 nan 4.420 nan 0.000 0.217 166 P C 1.693 178.993 177.300 0.000 0.000 1.158 166 P CA 3.359 66.460 63.100 0.002 0.000 0.887 166 P CB -0.763 30.932 31.700 -0.009 0.000 0.792 167 V N -2.657 117.227 119.914 -0.051 0.000 2.295 167 V HA -0.373 nan 4.120 nan 0.000 0.246 167 V C 2.407 178.448 176.094 -0.088 0.000 1.049 167 V CA 3.905 66.153 62.300 -0.087 0.000 1.024 167 V CB -0.792 30.917 31.823 -0.190 0.000 0.648 167 V HN -0.534 7.596 8.190 -0.074 0.016 0.447 168 c N -0.198 118.320 118.600 -0.137 0.000 2.413 168 c HA -0.410 nan 4.570 nan 0.000 0.277 168 c C 2.414 176.626 174.090 0.204 0.000 1.228 168 c CA 3.873 60.180 56.329 -0.036 0.000 1.731 168 c CB -1.877 40.566 42.510 -0.112 0.000 2.042 168 c HN -0.335 7.792 8.230 -0.171 0.000 0.468 169 K N -0.772 119.725 120.400 0.162 0.000 2.074 169 K HA -0.395 nan 4.320 nan 0.000 0.209 169 K C 2.373 179.067 176.600 0.157 0.000 1.048 169 K CA 2.984 59.373 56.287 0.171 0.000 0.926 169 K CB -0.781 31.784 32.500 0.108 0.000 0.713 169 K HN 0.484 8.797 8.250 0.105 0.000 0.444 170 A N -1.956 120.939 122.820 0.124 0.000 2.172 170 A HA -0.048 nan 4.320 nan 0.000 0.216 170 A C 1.239 178.914 177.584 0.152 0.000 1.154 170 A CA 2.180 54.287 52.037 0.115 0.000 0.701 170 A CB -0.684 18.369 19.000 0.088 0.000 0.789 170 A HN -0.059 7.944 8.150 0.098 0.206 0.465 171 S N -5.402 110.429 115.700 0.218 0.000 2.556 171 S HA 0.073 nan 4.470 nan 0.000 0.216 171 S C -0.679 174.055 174.600 0.223 0.000 0.970 171 S CA 0.506 58.854 58.200 0.247 0.000 0.912 171 S CB 1.149 64.581 63.200 0.388 0.000 0.790 171 S HN -0.342 8.045 8.310 0.245 0.071 0.504 172 T N -0.241 114.438 114.554 0.207 0.000 2.942 172 T HA 0.231 nan 4.350 nan 0.000 0.327 172 T C -0.715 174.064 174.700 0.133 0.000 1.360 172 T CA -0.465 61.752 62.100 0.195 0.000 1.055 172 T CB 1.913 70.955 68.868 0.290 0.000 1.261 172 T HN -0.801 7.495 8.240 0.190 0.059 0.485 173 R N 3.630 124.186 120.500 0.093 0.000 2.153 173 R HA 0.016 nan 4.340 nan 0.000 0.218 173 R C 0.994 177.308 176.300 0.023 0.000 1.072 173 R CA 1.352 57.481 56.100 0.049 0.000 0.990 173 R CB 0.530 30.846 30.300 0.027 0.000 0.889 173 R HN 0.478 8.806 8.270 0.098 0.000 0.452 174 I N 0.741 121.320 120.570 0.015 0.000 2.517 174 I HA -0.216 nan 4.170 nan 0.000 0.285 174 I C -0.570 175.525 176.117 -0.037 0.000 1.106 174 I CA 0.466 61.719 61.300 -0.078 0.000 1.402 174 I CB 0.285 38.133 38.000 -0.254 0.000 1.399 174 I HN -0.300 7.907 8.210 0.069 0.045 0.535 175 R N 7.795 128.260 120.500 -0.058 0.000 2.485 175 R HA -0.240 nan 4.340 nan 0.000 0.304 175 R C -1.183 175.111 176.300 -0.010 0.000 0.934 175 R CA 0.949 57.031 56.100 -0.029 0.000 1.102 175 R CB 0.241 30.509 30.300 -0.053 0.000 0.906 175 R HN 0.193 8.420 8.270 -0.073 0.000 0.407 176 I N 5.208 125.810 120.570 0.053 0.000 2.460 176 I HA 0.117 nan 4.170 nan 0.000 0.298 176 I C -1.284 174.894 176.117 0.102 0.000 0.989 176 I CA -0.459 60.911 61.300 0.116 0.000 1.173 176 I CB 1.985 40.110 38.000 0.209 0.000 1.338 176 I HN -0.092 8.152 8.210 0.058 0.000 0.456 177 T N 0.544 115.168 114.554 0.116 0.000 2.910 177 T HA 0.225 nan 4.350 nan 0.000 0.287 177 T C 0.415 175.176 174.700 0.101 0.000 1.050 177 T CA -2.145 60.002 62.100 0.078 0.000 1.011 177 T CB 3.155 72.045 68.868 0.038 0.000 1.195 177 T HN -0.044 8.292 8.240 0.161 0.000 0.540 178 D N 0.167 120.600 120.400 0.056 0.000 2.310 178 D HA -0.115 nan 4.640 nan 0.000 0.212 178 D C 0.212 176.511 176.300 -0.002 0.000 0.965 178 D CA 2.403 56.422 54.000 0.031 0.000 0.879 178 D CB -0.248 40.550 40.800 -0.003 0.000 0.921 178 D HN 0.349 8.741 8.370 0.035 0.000 0.510 179 N N -2.370 116.355 118.700 0.041 0.000 2.276 179 N HA 0.095 nan 4.740 nan 0.000 0.212 179 N C -1.382 174.258 175.510 0.217 0.000 1.127 179 N CA -0.082 53.007 53.050 0.065 0.000 0.834 179 N CB 0.838 39.369 38.487 0.074 0.000 1.014 179 N HN -0.638 7.726 8.380 0.063 0.054 0.491 180 M N -1.585 118.162 119.600 0.244 0.000 2.662 180 M HA 0.896 nan 4.480 nan 0.000 0.310 180 M C -2.345 174.163 176.300 0.346 0.000 1.204 180 M CA -0.602 54.857 55.300 0.265 0.000 0.891 180 M CB 3.783 36.551 32.600 0.281 0.000 1.732 180 M HN -0.194 8.165 8.290 0.209 0.056 0.467 181 F N -4.312 115.763 119.950 0.208 0.000 2.611 181 F HA 0.930 nan 4.527 nan 0.000 0.324 181 F C -2.217 173.488 175.800 -0.158 0.000 1.061 181 F CA -2.524 55.497 58.000 0.036 0.000 0.954 181 F CB 2.644 41.620 39.000 -0.040 0.000 1.301 181 F HN 0.354 8.337 8.300 -0.527 0.000 0.482 182 c N -3.124 115.345 118.600 -0.219 0.000 2.630 182 c HA 1.040 nan 4.570 nan 0.000 0.346 182 c C -1.847 172.129 174.090 -0.190 0.000 1.245 182 c CA -3.987 52.036 56.329 -0.510 0.000 1.804 182 c CB 3.541 45.312 42.510 -1.232 0.000 2.279 182 c HN 0.262 8.435 8.230 -0.095 0.000 0.498 183 A N -0.888 121.884 122.820 -0.081 0.000 2.540 183 A HA 0.605 nan 4.320 nan 0.000 0.297 183 A C -2.412 175.237 177.584 0.108 0.000 1.056 183 A CA -0.096 51.920 52.037 -0.034 0.000 0.700 183 A CB 2.904 21.838 19.000 -0.109 0.000 1.280 183 A HN 0.070 8.200 8.150 -0.033 0.000 0.398 184 Y N 1.696 122.101 120.300 0.175 0.000 2.511 184 Y HA -0.294 nan 4.550 nan 0.000 0.332 184 Y C 0.143 176.189 175.900 0.245 0.000 1.177 184 Y CA 0.129 58.328 58.100 0.164 0.000 1.422 184 Y CB 0.425 38.940 38.460 0.092 0.000 1.271 184 Y HN 0.214 8.608 8.280 0.191 0.000 0.550 185 K N 2.110 122.753 120.400 0.405 0.000 2.218 185 K HA -0.241 nan 4.320 nan 0.000 0.205 185 K C -0.040 176.681 176.600 0.202 0.000 1.046 185 K CA 0.889 57.367 56.287 0.318 0.000 0.933 185 K CB -0.379 32.248 32.500 0.213 0.000 0.728 185 K HN 0.509 8.961 8.250 0.336 0.000 0.454 186 K N -2.512 117.667 120.400 -0.369 0.000 2.239 186 K HA -0.397 nan 4.320 nan 0.000 0.548 186 K C -1.000 175.307 176.600 -0.488 0.000 2.173 186 K CA 0.785 56.754 56.287 -0.530 0.000 1.637 186 K CB 0.405 32.366 32.500 -0.898 0.000 1.787 186 K HN 0.060 8.085 8.250 -0.374 0.000 0.739 187 R N -0.500 119.884 120.500 -0.194 0.000 2.885 187 R HA 0.607 nan 4.340 nan 0.000 0.260 187 R C -1.493 174.949 176.300 0.236 0.000 1.107 187 R CA -0.951 55.198 56.100 0.082 0.000 0.978 187 R CB 3.390 33.712 30.300 0.038 0.000 1.227 187 R HN 0.027 8.199 8.270 -0.164 0.000 0.473 188 G N -1.616 107.317 108.800 0.221 0.000 2.368 188 G HA2 -0.059 nan 3.960 nan 0.000 0.301 188 G HA3 -0.059 nan 3.960 nan 0.000 0.301 188 G C -3.087 171.905 174.900 0.154 0.000 1.640 188 G CA 0.103 45.319 45.100 0.192 0.000 0.941 188 G HN 0.056 8.729 8.290 0.185 -0.272 0.695 189 D N -0.787 119.688 120.400 0.124 0.000 2.694 189 D HA 0.338 nan 4.640 nan 0.000 0.260 189 D C -1.858 174.513 176.300 0.118 0.000 1.250 189 D CA -0.469 53.604 54.000 0.121 0.000 0.763 189 D CB 4.235 45.080 40.800 0.075 0.000 1.311 189 D HN -0.374 8.063 8.370 0.112 0.000 0.420 190 A N -0.421 122.480 122.820 0.135 0.000 2.287 190 A HA 0.429 nan 4.320 nan 0.000 0.273 190 A C -1.881 175.741 177.584 0.063 0.000 1.091 190 A CA -0.778 51.322 52.037 0.105 0.000 0.817 190 A CB 1.439 20.509 19.000 0.117 0.000 1.069 190 A HN 0.403 8.660 8.150 0.178 0.000 0.492 191 c N -1.897 116.740 118.600 0.061 0.000 3.335 191 c HA 0.334 nan 4.570 nan 0.000 0.356 191 c C -1.238 172.891 174.090 0.064 0.000 1.570 191 c CA -1.356 55.002 56.329 0.048 0.000 1.271 191 c CB 3.546 46.077 42.510 0.034 0.000 1.873 191 c HN -0.266 8.190 8.230 0.075 -0.181 0.439 192 E N 1.996 122.230 120.200 0.056 0.000 2.820 192 E HA -0.285 nan 4.350 nan 0.000 0.251 192 E C 0.430 177.080 176.600 0.082 0.000 0.944 192 E CA 2.456 58.898 56.400 0.069 0.000 0.955 192 E CB -0.656 29.071 29.700 0.046 0.000 0.904 192 E HN 0.643 9.027 8.360 0.039 0.000 0.513 193 G N 4.274 113.137 108.800 0.105 0.000 2.217 193 G HA2 -0.388 nan 3.960 nan 0.000 0.246 193 G HA3 -0.388 nan 3.960 nan 0.000 0.246 193 G C 0.570 175.556 174.900 0.144 0.000 0.990 193 G CA 0.909 46.079 45.100 0.115 0.000 0.627 193 G HN 0.660 9.023 8.290 0.121 0.000 0.522 194 D N 0.747 121.226 120.400 0.133 0.000 2.346 194 D HA 0.081 nan 4.640 nan 0.000 0.206 194 D C 0.370 176.759 176.300 0.148 0.000 1.001 194 D CA 0.770 54.852 54.000 0.137 0.000 0.871 194 D CB 0.473 41.342 40.800 0.116 0.000 0.943 194 D HN 0.071 8.431 8.370 0.117 0.081 0.518 195 S N -0.150 115.647 115.700 0.161 0.000 2.554 195 S HA -0.473 nan 4.470 nan 0.000 0.290 195 S C 1.166 175.823 174.600 0.095 0.000 1.309 195 S CA 2.473 60.785 58.200 0.186 0.000 1.047 195 S CB 0.317 63.728 63.200 0.351 0.000 0.828 195 S HN -0.543 7.865 8.310 0.163 0.000 0.509 196 G N 3.793 112.628 108.800 0.059 0.000 2.328 196 G HA2 -0.463 nan 3.960 nan 0.000 0.256 196 G HA3 -0.463 nan 3.960 nan 0.000 0.256 196 G C -0.684 174.305 174.900 0.149 0.000 1.014 196 G CA 0.506 45.646 45.100 0.067 0.000 0.620 196 G HN 0.729 9.075 8.290 0.093 0.000 0.530 197 G N 0.686 109.592 108.800 0.177 0.000 2.537 197 G HA2 0.325 nan 3.960 nan 0.000 0.273 197 G HA3 0.325 nan 3.960 nan 0.000 0.273 197 G C -2.911 172.142 174.900 0.255 0.000 1.189 197 G CA -2.081 43.141 45.100 0.204 0.000 0.881 197 G HN -0.397 7.920 8.290 0.169 0.075 0.535 198 P HA 0.037 nan 4.420 nan 0.000 0.271 198 P C -2.112 175.395 177.300 0.345 0.000 1.216 198 P CA -0.068 63.199 63.100 0.278 0.000 0.771 198 P CB 0.369 32.215 31.700 0.245 0.000 0.864 199 F N 5.105 125.194 119.950 0.232 0.000 2.391 199 F HA 0.412 nan 4.527 nan 0.000 0.359 199 F C -1.793 174.098 175.800 0.151 0.000 1.122 199 F CA -1.233 56.862 58.000 0.158 0.000 1.120 199 F CB 2.172 41.215 39.000 0.072 0.000 1.142 199 F HN 0.218 8.700 8.300 0.501 0.118 0.483 200 V N 2.662 122.525 119.914 -0.085 0.000 2.815 200 V HA 0.832 nan 4.120 nan 0.000 0.314 200 V C -2.220 173.851 176.094 -0.038 0.000 1.064 200 V CA -3.156 59.181 62.300 0.062 0.000 0.952 200 V CB 2.829 34.782 31.823 0.216 0.000 1.020 200 V HN 0.643 8.684 8.190 -0.247 0.000 0.439 201 M N 1.132 120.761 119.600 0.048 0.000 2.619 201 M HA 0.474 nan 4.480 nan 0.000 0.297 201 M C -1.729 174.403 176.300 -0.280 0.000 1.229 201 M CA -0.405 54.822 55.300 -0.122 0.000 0.860 201 M CB 4.814 37.344 32.600 -0.117 0.000 1.741 201 M HN 0.680 9.045 8.290 0.124 0.000 0.462 202 K N 0.421 120.436 120.400 -0.642 0.000 2.244 202 K HA 0.403 nan 4.320 nan 0.000 0.260 202 K C -0.978 175.325 176.600 -0.494 0.000 0.951 202 K CA -1.517 54.219 56.287 -0.918 0.000 0.826 202 K CB 1.690 33.282 32.500 -1.513 0.000 1.108 202 K HN 0.235 8.163 8.250 -0.535 0.000 0.433 203 S N 5.913 121.422 115.700 -0.318 0.000 2.574 203 S HA -0.024 nan 4.470 nan 0.000 0.160 203 S C 0.375 174.850 174.600 -0.209 0.000 1.125 203 S CA 0.801 58.855 58.200 -0.244 0.000 1.836 203 S CB 0.777 63.883 63.200 -0.157 0.000 0.514 203 S HN 1.021 9.184 8.310 -0.245 0.000 0.411 204 N N -0.162 118.523 118.700 -0.025 0.000 2.178 204 N HA -0.454 nan 4.740 nan 0.000 0.229 204 N C 0.523 176.031 175.510 -0.003 0.000 1.390 204 N CA 1.375 54.423 53.050 -0.004 0.000 0.820 204 N CB -1.593 36.907 38.487 0.021 0.000 1.303 204 N HN 0.529 8.892 8.380 -0.029 0.000 0.628 205 N N -3.366 115.316 118.700 -0.030 0.000 2.815 205 N HA -0.373 nan 4.740 nan 0.000 0.249 205 N C -1.574 173.920 175.510 -0.027 0.000 1.114 205 N CA 0.971 53.991 53.050 -0.050 0.000 0.717 205 N CB -0.242 38.233 38.487 -0.018 0.000 1.074 205 N HN -0.177 8.176 8.380 -0.045 0.000 0.555 206 R N -5.126 115.362 120.500 -0.020 0.000 2.828 206 R HA 0.445 nan 4.340 nan 0.000 0.264 206 R C -1.689 174.586 176.300 -0.042 0.000 1.022 206 R CA -1.778 54.324 56.100 0.004 0.000 1.021 206 R CB 2.568 32.835 30.300 -0.055 0.000 1.163 206 R HN -0.802 7.644 8.270 0.008 -0.171 0.494 207 W N -1.601 119.656 121.300 -0.072 0.000 2.469 207 W HA 0.563 nan 4.660 nan 0.000 0.320 207 W C -0.855 175.520 176.519 -0.239 0.000 1.086 207 W CA -0.669 56.634 57.345 -0.070 0.000 1.211 207 W CB 1.904 31.305 29.460 -0.099 0.000 1.298 207 W HN 0.262 8.594 8.180 0.253 0.000 0.525 208 Y N 0.074 120.347 120.300 -0.045 0.000 2.512 208 Y HA 0.405 nan 4.550 nan 0.000 0.348 208 Y C -1.620 174.234 175.900 -0.076 0.000 0.990 208 Y CA -1.586 56.452 58.100 -0.104 0.000 1.033 208 Y CB 3.916 42.317 38.460 -0.099 0.000 1.259 208 Y HN 0.916 9.381 8.280 0.308 0.000 0.461 209 Q N 2.413 122.261 119.800 0.081 0.000 2.377 209 Q HA 0.227 nan 4.340 nan 0.000 0.249 209 Q C -0.382 175.737 176.000 0.197 0.000 1.005 209 Q CA -0.898 54.971 55.803 0.110 0.000 0.912 209 Q CB 0.743 29.517 28.738 0.061 0.000 1.223 209 Q HN -0.010 8.289 8.270 0.049 0.000 0.459 210 M N 5.094 124.852 119.600 0.264 0.000 2.394 210 M HA 0.098 nan 4.480 nan 0.000 0.266 210 M C -0.394 176.140 176.300 0.391 0.000 1.098 210 M CA -0.223 55.204 55.300 0.211 0.000 1.149 210 M CB 1.098 33.800 32.600 0.171 0.000 1.369 210 M HN 0.662 9.141 8.290 0.314 0.000 0.450 211 G N -4.479 104.668 108.800 0.579 0.000 2.695 211 G HA2 0.629 nan 3.960 nan 0.000 0.290 211 G HA3 0.629 nan 3.960 nan 0.000 0.290 211 G C -2.840 172.329 174.900 0.449 0.000 1.410 211 G CA -0.561 44.896 45.100 0.595 0.000 0.844 211 G HN -0.506 8.109 8.290 0.541 0.000 0.478 212 I N -0.550 120.235 120.570 0.358 0.000 2.582 212 I HA 0.450 nan 4.170 nan 0.000 0.292 212 I C -1.033 175.247 176.117 0.271 0.000 1.066 212 I CA -1.386 60.100 61.300 0.310 0.000 1.053 212 I CB 4.627 42.768 38.000 0.235 0.000 1.241 212 I HN -0.320 8.134 8.210 0.270 -0.082 0.421 213 V N 5.898 125.958 119.914 0.242 0.000 2.479 213 V HA -0.067 nan 4.120 nan 0.000 0.281 213 V C -0.992 175.175 176.094 0.122 0.000 1.031 213 V CA 1.258 63.573 62.300 0.024 0.000 1.038 213 V CB -1.604 30.269 31.823 0.084 0.000 0.981 213 V HN 0.438 8.798 8.190 0.284 0.000 0.478 214 S N 7.170 122.887 115.700 0.028 0.000 3.142 214 S HA 0.582 nan 4.470 nan 0.000 0.223 214 S C -1.150 173.562 174.600 0.187 0.000 0.939 214 S CA 0.388 58.728 58.200 0.232 0.000 0.826 214 S CB 1.763 65.105 63.200 0.237 0.000 0.823 214 S HN -0.135 8.032 8.310 -0.238 0.000 0.612 215 W N -2.776 118.459 121.300 -0.108 0.000 2.923 215 W HA 0.253 nan 4.660 nan 0.000 0.373 215 W C -2.553 173.947 176.519 -0.031 0.000 1.205 215 W CA -0.012 57.265 57.345 -0.113 0.000 1.180 215 W CB 2.383 31.753 29.460 -0.150 0.000 1.477 215 W HN -0.166 7.883 8.180 -0.219 0.000 0.581 216 G N -2.523 106.505 108.800 0.380 0.000 2.358 216 G HA2 -0.081 nan 3.960 nan 0.000 0.301 216 G HA3 -0.081 nan 3.960 nan 0.000 0.301 216 G C -1.750 173.302 174.900 0.253 0.000 1.539 216 G CA -0.147 45.086 45.100 0.221 0.000 0.893 216 G HN -0.289 8.286 8.290 0.474 0.000 0.636 220 c N 2.430 121.033 118.600 0.006 0.000 3.401 220 c HA 0.256 nan 4.570 nan 0.000 0.204 220 c C -1.462 172.627 174.090 -0.002 0.000 1.522 220 c CA -0.581 55.751 56.329 0.005 0.000 1.409 220 c CB -0.768 41.741 42.510 -0.001 0.000 1.967 220 c HN 0.194 8.739 8.230 -0.004 -0.318 0.496 221 R N -0.424 120.057 120.500 -0.032 0.000 3.681 221 R HA 0.077 nan 4.340 nan 0.000 0.252 221 R C -2.185 174.073 176.300 -0.070 0.000 1.000 221 R CA 0.029 56.109 56.100 -0.033 0.000 1.056 221 R CB 2.936 33.226 30.300 -0.016 0.000 1.243 221 R HN 0.023 8.271 8.270 -0.037 0.000 0.549 222 D N 3.631 124.005 120.400 -0.044 0.000 2.458 222 D HA -0.158 nan 4.640 nan 0.000 0.243 222 D C 1.012 177.266 176.300 -0.076 0.000 1.146 222 D CA 2.228 56.196 54.000 -0.053 0.000 0.877 222 D CB 0.107 40.898 40.800 -0.014 0.000 1.176 222 D HN 0.215 8.573 8.370 -0.021 0.000 0.461 223 G N 2.851 111.573 108.800 -0.131 0.000 2.162 223 G HA2 -0.426 nan 3.960 nan 0.000 0.260 223 G HA3 -0.426 nan 3.960 nan 0.000 0.260 223 G C -0.590 174.185 174.900 -0.209 0.000 0.976 223 G CA 0.167 45.199 45.100 -0.114 0.000 0.655 223 G HN 0.434 8.624 8.290 -0.167 0.000 0.533 224 K N 0.165 120.348 120.400 -0.362 0.000 2.259 224 K HA 0.350 nan 4.320 nan 0.000 0.252 224 K C -1.353 174.894 176.600 -0.588 0.000 0.936 224 K CA -1.653 54.475 56.287 -0.264 0.000 0.810 224 K CB 2.271 34.717 32.500 -0.090 0.000 1.143 224 K HN -0.458 7.521 8.250 -0.380 0.043 0.427 225 Y N 0.023 120.315 120.300 -0.014 0.000 2.549 225 Y HA 0.184 nan 4.550 nan 0.000 0.339 225 Y C 0.110 175.895 175.900 -0.190 0.000 1.053 225 Y CA -0.939 57.082 58.100 -0.131 0.000 1.105 225 Y CB 2.916 41.220 38.460 -0.259 0.000 1.258 225 Y HN -0.113 8.213 8.280 0.076 0.000 0.478 226 G N -0.437 108.334 108.800 -0.048 0.000 2.415 226 G HA2 0.146 nan 3.960 nan 0.000 0.269 226 G HA3 0.146 nan 3.960 nan 0.000 0.269 226 G C -2.284 172.393 174.900 -0.371 0.000 1.209 226 G CA -0.268 44.751 45.100 -0.135 0.000 0.835 226 G HN 0.248 8.574 8.290 0.059 0.000 0.534 227 F N 3.175 122.699 119.950 -0.710 0.000 2.495 227 F HA 0.714 nan 4.527 nan 0.000 0.327 227 F C -1.262 174.050 175.800 -0.814 0.000 1.103 227 F CA -0.873 56.677 58.000 -0.749 0.000 0.949 227 F CB 4.046 42.239 39.000 -1.345 0.000 1.142 227 F HN 0.239 8.255 8.300 -0.474 0.000 0.457 228 Y N 1.857 121.871 120.300 -0.477 0.000 2.477 228 Y HA 0.449 nan 4.550 nan 0.000 0.347 228 Y C -0.440 175.147 175.900 -0.522 0.000 0.981 228 Y CA -1.706 56.048 58.100 -0.577 0.000 1.033 228 Y CB 3.025 40.916 38.460 -0.948 0.000 1.245 228 Y HN 0.932 8.997 8.280 -0.359 0.000 0.455 229 T N 6.107 120.637 114.554 -0.039 0.000 2.902 229 T HA -0.131 nan 4.350 nan 0.000 0.301 229 T C -0.520 174.304 174.700 0.207 0.000 1.012 229 T CA 1.537 63.709 62.100 0.120 0.000 1.151 229 T CB -0.172 68.813 68.868 0.195 0.000 0.946 229 T HN 0.444 8.709 8.240 0.042 0.000 0.542 230 H N 7.786 127.009 119.070 0.255 0.000 3.004 230 H HA 0.021 nan 4.556 nan 0.000 0.267 230 H C 0.370 175.929 175.328 0.385 0.000 1.165 230 H CA -0.080 56.278 56.048 0.517 0.000 1.450 230 H CB 0.100 30.142 29.762 0.466 0.000 1.488 230 H HN 0.407 8.833 8.280 0.387 0.086 0.478 231 V N 8.133 128.335 119.914 0.481 0.000 2.358 231 V HA -0.371 nan 4.120 nan 0.000 0.246 231 V C 1.789 178.132 176.094 0.415 0.000 1.047 231 V CA 4.453 66.992 62.300 0.399 0.000 1.035 231 V CB -0.401 31.617 31.823 0.325 0.000 0.658 231 V HN -0.049 8.413 8.190 0.453 0.000 0.452 232 F N -0.379 119.753 119.950 0.304 0.000 2.134 232 F HA -0.270 nan 4.527 nan 0.000 0.299 232 F C 1.791 177.764 175.800 0.289 0.000 1.097 232 F CA 3.087 61.245 58.000 0.263 0.000 1.264 232 F CB -0.098 39.019 39.000 0.195 0.000 1.001 232 F HN -0.379 8.218 8.300 0.496 0.000 0.479 233 R N -3.009 117.702 120.500 0.351 0.000 2.328 233 R HA -0.188 nan 4.340 nan 0.000 0.207 233 R C 0.587 176.941 176.300 0.090 0.000 1.056 233 R CA 1.875 57.998 56.100 0.039 0.000 1.016 233 R CB -0.163 30.038 30.300 -0.164 0.000 0.872 233 R HN -0.456 8.366 8.270 0.920 0.000 0.471 234 L N -3.786 117.562 121.223 0.208 0.000 3.014 234 L HA 0.326 nan 4.340 nan 0.000 0.263 234 L C 0.021 177.071 176.870 0.299 0.000 1.207 234 L CA -0.948 54.077 54.840 0.308 0.000 1.017 234 L CB 0.023 42.329 42.059 0.411 0.000 1.360 234 L HN -0.552 7.729 8.230 0.298 0.128 0.560 235 K N 2.145 122.582 120.400 0.063 0.000 2.057 235 K HA -0.324 nan 4.320 nan 0.000 0.206 235 K C 1.299 177.828 176.600 -0.119 0.000 1.050 235 K CA 3.640 59.888 56.287 -0.065 0.000 0.935 235 K CB -0.215 32.171 32.500 -0.190 0.000 0.715 235 K HN 0.009 8.102 8.250 -0.002 0.156 0.439 236 K N -2.580 117.752 120.400 -0.114 0.000 2.103 236 K HA -0.308 nan 4.320 nan 0.000 0.207 236 K C 2.450 179.029 176.600 -0.036 0.000 1.048 236 K CA 2.925 59.164 56.287 -0.079 0.000 0.930 236 K CB -0.823 31.647 32.500 -0.050 0.000 0.716 236 K HN -0.210 7.945 8.250 -0.159 0.000 0.444 237 W N -0.600 120.657 121.300 -0.071 0.000 2.407 237 W HA -0.187 nan 4.660 nan 0.000 0.305 237 W C 1.160 177.617 176.519 -0.104 0.000 1.196 237 W CA 2.181 59.475 57.345 -0.085 0.000 1.311 237 W CB -0.063 29.354 29.460 -0.071 0.000 1.135 237 W HN -0.645 7.672 8.180 0.225 -0.002 0.514 238 I N -0.913 119.265 120.570 -0.654 0.000 2.185 238 I HA -0.746 nan 4.170 nan 0.000 0.246 238 I C 1.915 177.609 176.117 -0.706 0.000 1.088 238 I CA 3.594 64.395 61.300 -0.833 0.000 1.347 238 I CB -0.007 37.824 38.000 -0.282 0.000 1.041 238 I HN -0.191 7.750 8.210 -0.139 0.186 0.415 239 Q N -2.956 116.565 119.800 -0.464 0.000 1.975 239 Q HA -0.359 nan 4.340 nan 0.000 0.205 239 Q C 1.902 177.627 176.000 -0.458 0.000 0.990 239 Q CA 2.573 58.141 55.803 -0.391 0.000 0.845 239 Q CB -0.610 27.983 28.738 -0.242 0.000 0.913 239 Q HN -0.006 8.054 8.270 -0.349 0.000 0.420 240 K N 0.052 120.196 120.400 -0.427 0.000 2.059 240 K HA -0.346 nan 4.320 nan 0.000 0.212 240 K C 2.476 178.877 176.600 -0.332 0.000 1.050 240 K CA 3.046 59.151 56.287 -0.305 0.000 0.927 240 K CB -0.032 32.354 32.500 -0.191 0.000 0.714 240 K HN -0.343 7.530 8.250 -0.449 0.107 0.447 241 V N -5.688 113.934 119.914 -0.486 0.000 2.358 241 V HA -0.269 nan 4.120 nan 0.000 0.246 241 V C 1.690 177.510 176.094 -0.456 0.000 1.047 241 V CA 3.315 65.373 62.300 -0.404 0.000 1.035 241 V CB -1.008 30.559 31.823 -0.427 0.000 0.658 241 V HN -0.716 7.032 8.190 -0.736 0.000 0.452 242 I N -2.853 117.333 120.570 -0.639 0.000 2.756 242 I HA -0.334 nan 4.170 nan 0.000 0.262 242 I C 0.611 176.518 176.117 -0.351 0.000 1.225 242 I CA 2.590 63.480 61.300 -0.683 0.000 1.472 242 I CB -0.378 37.055 38.000 -0.946 0.000 1.094 242 I HN -0.382 7.411 8.210 -0.696 0.000 0.454 243 D N -2.896 117.333 120.400 -0.286 0.000 2.441 243 D HA 0.088 nan 4.640 nan 0.000 0.210 243 D C 0.258 176.489 176.300 -0.115 0.000 1.102 243 D CA 0.711 54.605 54.000 -0.176 0.000 0.840 243 D CB 0.898 41.591 40.800 -0.178 0.000 0.990 243 D HN -0.604 7.390 8.370 -0.335 0.175 0.505 244 R N -0.252 120.179 120.500 -0.115 0.000 2.057 244 R HA 0.007 nan 4.340 nan 0.000 0.224 244 R C 0.468 176.762 176.300 -0.010 0.000 1.136 244 R CA 2.075 58.145 56.100 -0.050 0.000 0.968 244 R CB 1.485 31.763 30.300 -0.036 0.000 0.863 244 R HN -0.404 7.639 8.270 -0.170 0.125 0.433 245 L N -1.445 119.776 121.223 -0.003 0.000 2.295 245 L HA 0.189 nan 4.340 nan 0.000 0.281 245 L C -0.539 176.374 176.870 0.072 0.000 1.018 245 L CA -0.308 54.576 54.840 0.073 0.000 0.841 245 L CB 0.940 43.092 42.059 0.154 0.000 1.218 245 L HN -0.384 7.810 8.230 -0.059 0.000 0.424 246 G N 4.166 113.005 108.800 0.067 0.000 2.645 246 G HA2 0.143 nan 3.960 nan 0.000 0.210 246 G HA3 0.143 nan 3.960 nan 0.000 0.210 246 G C -0.911 174.031 174.900 0.071 0.000 1.304 246 G CA 0.578 45.704 45.100 0.043 0.000 0.556 246 G HN 0.056 8.390 8.290 0.075 0.000 1.003 247 S N 0.000 115.735 115.700 0.059 0.000 2.498 247 S HA 0.000 nan 4.470 nan 0.000 0.327 247 S CA 0.000 58.238 58.200 0.063 0.000 1.107 247 S CB 0.000 63.227 63.200 0.044 0.000 0.593 247 S HN 0.000 8.337 8.310 0.045 0.000 0.517