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 1etr_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 0.000 176.151 176.117 0.057 0.000 1.063 16 I CA 0.000 61.336 61.300 0.060 0.000 1.566 16 I CB 0.000 38.020 38.000 0.034 0.000 1.214 17 V N 5.418 125.373 119.914 0.068 0.000 2.532 17 V HA 0.249 nan 4.120 nan 0.000 0.295 17 V C 0.118 176.250 176.094 0.063 0.000 1.041 17 V CA -1.698 60.638 62.300 0.060 0.000 0.926 17 V CB 0.695 32.556 31.823 0.064 0.000 0.992 17 V HN 0.887 9.127 8.190 0.084 0.000 0.457 18 E N 0.177 120.406 120.200 0.048 0.000 2.805 18 E HA -0.426 nan 4.350 nan 0.000 0.266 18 E C -0.326 176.302 176.600 0.046 0.000 1.092 18 E CA 1.109 57.535 56.400 0.043 0.000 0.781 18 E CB -1.802 27.923 29.700 0.042 0.000 1.379 18 E HN 0.899 9.283 8.360 0.041 0.000 0.433 19 G N -3.290 105.536 108.800 0.042 0.000 2.543 19 G HA2 0.295 nan 3.960 nan 0.000 0.267 19 G HA3 0.295 nan 3.960 nan 0.000 0.267 19 G C -1.617 173.293 174.900 0.017 0.000 1.406 19 G CA -0.683 44.437 45.100 0.034 0.000 1.048 19 G HN -0.466 7.810 8.290 0.039 0.037 0.548 20 Q N -3.783 116.020 119.800 0.004 0.000 2.511 20 Q HA 0.263 nan 4.340 nan 0.000 0.289 20 Q C -2.098 173.892 176.000 -0.016 0.000 1.021 20 Q CA -1.641 54.162 55.803 0.000 0.000 0.785 20 Q CB 3.270 32.013 28.738 0.008 0.000 1.472 20 Q HN -0.153 8.114 8.270 -0.004 0.000 0.411 21 D N 0.358 120.753 120.400 -0.008 0.000 2.389 21 D HA 0.172 nan 4.640 nan 0.000 0.247 21 D C -0.541 175.762 176.300 0.006 0.000 1.128 21 D CA 0.663 54.656 54.000 -0.011 0.000 0.884 21 D CB 0.182 40.994 40.800 0.020 0.000 1.194 21 D HN 0.213 8.584 8.370 0.003 0.000 0.441 22 A N 4.680 127.503 122.820 0.005 0.000 2.316 22 A HA 0.103 nan 4.320 nan 0.000 0.284 22 A C -0.744 176.875 177.584 0.058 0.000 1.115 22 A CA -0.478 51.558 52.037 -0.001 0.000 0.812 22 A CB 1.292 20.250 19.000 -0.069 0.000 1.064 22 A HN 0.363 8.509 8.150 -0.007 0.000 0.489 23 E N -0.084 120.104 120.200 -0.020 0.000 2.409 23 E HA -0.019 nan 4.350 nan 0.000 0.257 23 E C -0.146 176.359 176.600 -0.159 0.000 1.150 23 E CA -0.361 55.997 56.400 -0.070 0.000 0.942 23 E CB 1.008 30.668 29.700 -0.067 0.000 0.979 23 E HN 0.045 8.384 8.360 -0.035 0.000 0.447 24 V N -3.601 116.160 119.914 -0.254 0.000 2.614 24 V HA 0.053 nan 4.120 nan 0.000 0.291 24 V C 0.639 176.655 176.094 -0.129 0.000 1.049 24 V CA -0.143 61.963 62.300 -0.322 0.000 1.038 24 V CB -0.618 30.990 31.823 -0.358 0.000 0.980 24 V HN 0.096 8.170 8.190 -0.193 0.000 0.481 25 G N 4.705 113.464 108.800 -0.068 0.000 2.148 25 G HA2 -0.420 nan 3.960 nan 0.000 0.254 25 G HA3 -0.420 nan 3.960 nan 0.000 0.254 25 G C -0.495 174.250 174.900 -0.259 0.000 0.981 25 G CA 0.664 45.689 45.100 -0.124 0.000 0.670 25 G HN 0.392 8.663 8.290 -0.031 0.000 0.528 26 L N -1.155 119.911 121.223 -0.262 0.000 1.988 26 L HA -0.139 nan 4.340 nan 0.000 0.207 26 L C -0.560 175.940 176.870 -0.617 0.000 1.071 26 L CA 2.295 56.927 54.840 -0.348 0.000 0.744 26 L CB 0.707 42.621 42.059 -0.242 0.000 0.893 26 L HN -0.701 7.356 8.230 -0.193 0.057 0.433 27 S N -3.777 111.518 115.700 -0.675 0.000 2.505 27 S HA 0.438 nan 4.470 nan 0.000 0.280 27 S C -1.778 172.136 174.600 -1.143 0.000 1.197 27 S CA -3.060 54.409 58.200 -1.218 0.000 1.138 27 S CB 0.333 63.143 63.200 -0.651 0.000 1.010 27 S HN -0.231 7.803 8.310 -0.460 0.000 0.480 28 P HA 0.006 nan 4.420 nan 0.000 0.239 28 P C -0.684 176.540 177.300 -0.127 0.000 1.184 28 P CA 1.036 63.867 63.100 -0.449 0.000 0.760 28 P CB -0.010 31.512 31.700 -0.296 0.000 0.884 29 W N -4.924 116.414 121.300 0.063 0.000 3.239 29 W HA 0.271 nan 4.660 nan 0.000 0.348 29 W C -1.140 175.436 176.519 0.095 0.000 1.183 29 W CA -2.874 54.517 57.345 0.077 0.000 1.819 29 W CB -1.293 28.201 29.460 0.057 0.000 1.091 29 W HN -0.363 7.021 8.180 -1.135 0.114 0.629 30 Q N 1.930 121.817 119.800 0.145 0.000 2.304 30 Q HA 0.302 nan 4.340 nan 0.000 0.260 30 Q C -1.601 174.552 176.000 0.254 0.000 0.965 30 Q CA 0.444 56.368 55.803 0.201 0.000 0.898 30 Q CB 0.573 29.364 28.738 0.089 0.000 1.196 30 Q HN -0.618 7.562 8.270 -0.032 0.072 0.402 31 V N 6.958 127.033 119.914 0.269 0.000 2.588 31 V HA 0.535 nan 4.120 nan 0.000 0.304 31 V C -1.348 174.888 176.094 0.236 0.000 1.042 31 V CA -1.404 61.036 62.300 0.234 0.000 0.877 31 V CB 2.967 34.910 31.823 0.200 0.000 0.996 31 V HN 0.548 8.900 8.190 0.269 0.000 0.425 32 M N 5.124 124.844 119.600 0.199 0.000 2.209 32 M HA 0.521 nan 4.480 nan 0.000 0.355 32 M C -1.117 175.260 176.300 0.129 0.000 1.171 32 M CA -0.523 54.843 55.300 0.112 0.000 1.069 32 M CB 1.782 34.397 32.600 0.025 0.000 1.622 32 M HN 0.663 9.071 8.290 0.196 0.000 0.459 33 L N 3.764 125.001 121.223 0.023 0.000 2.259 33 L HA 0.495 nan 4.340 nan 0.000 0.288 33 L C -2.242 174.611 176.870 -0.028 0.000 1.051 33 L CA -0.779 54.090 54.840 0.048 0.000 0.824 33 L CB 0.739 42.811 42.059 0.023 0.000 1.206 33 L HN 0.643 8.851 8.230 -0.036 0.000 0.429 34 F N 4.827 124.770 119.950 -0.013 0.000 2.458 34 F HA 0.688 nan 4.527 nan 0.000 0.330 34 F C -1.019 174.767 175.800 -0.023 0.000 1.082 34 F CA -0.968 57.015 58.000 -0.027 0.000 0.995 34 F CB 3.134 42.109 39.000 -0.043 0.000 1.170 34 F HN 0.404 8.895 8.300 0.319 0.000 0.478 35 R N 1.628 122.253 120.500 0.209 0.000 2.896 35 R HA 0.257 nan 4.340 nan 0.000 0.258 35 R C 0.598 176.959 176.300 0.102 0.000 1.240 35 R CA -0.424 55.745 56.100 0.114 0.000 1.109 35 R CB 1.088 31.432 30.300 0.074 0.000 1.081 35 R HN 0.677 9.063 8.270 0.193 0.000 0.562 36 S N -0.059 115.635 115.700 -0.009 0.000 2.516 36 S HA 0.049 nan 4.470 nan 0.000 0.282 36 S C -0.477 174.121 174.600 -0.004 0.000 1.286 36 S CA -1.100 57.093 58.200 -0.012 0.000 1.066 36 S CB 0.074 63.261 63.200 -0.022 0.000 0.884 36 S HN -0.274 8.033 8.310 -0.005 0.000 0.491 37 P HA 0.208 nan 4.420 nan 0.000 0.281 37 P C -2.031 175.281 177.300 0.019 0.000 1.249 37 P CA -0.486 62.613 63.100 -0.001 0.000 0.810 37 P CB 0.967 32.665 31.700 -0.004 0.000 1.008 38 Q N -1.996 117.815 119.800 0.018 0.000 2.313 38 Q HA 0.016 nan 4.340 nan 0.000 0.266 38 Q C -0.940 175.148 176.000 0.147 0.000 0.989 38 Q CA -0.043 55.799 55.803 0.064 0.000 0.890 38 Q CB 0.100 28.833 28.738 -0.009 0.000 1.200 38 Q HN 0.044 8.318 8.270 0.007 0.000 0.396 39 E N 1.192 121.531 120.200 0.231 0.000 2.372 39 E HA 0.110 nan 4.350 nan 0.000 0.279 39 E C -2.146 174.473 176.600 0.031 0.000 0.946 39 E CA -2.231 54.262 56.400 0.154 0.000 0.769 39 E CB 2.671 32.392 29.700 0.036 0.000 1.230 39 E HN 0.240 8.758 8.360 0.263 0.000 0.442 40 L N 2.640 123.646 121.223 -0.362 0.000 2.418 40 L HA -0.052 nan 4.340 nan 0.000 0.274 40 L C -1.068 175.631 176.870 -0.285 0.000 1.135 40 L CA 1.249 55.661 54.840 -0.714 0.000 0.870 40 L CB 0.040 41.612 42.059 -0.811 0.000 1.154 40 L HN 0.432 8.528 8.230 -0.223 0.000 0.462 41 L N 5.908 126.995 121.223 -0.226 0.000 2.349 41 L HA 0.090 nan 4.340 nan 0.000 0.200 41 L C -0.577 176.256 176.870 -0.062 0.000 1.064 41 L CA 1.093 55.876 54.840 -0.094 0.000 0.821 41 L CB 1.878 43.908 42.059 -0.049 0.000 1.027 41 L HN 0.756 8.807 8.230 -0.299 0.000 0.476 42 c N -6.309 112.251 118.600 -0.067 0.000 3.314 42 c HA 0.434 nan 4.570 nan 0.000 0.344 42 c C -1.519 172.587 174.090 0.026 0.000 1.461 42 c CA -1.019 55.312 56.329 0.002 0.000 1.249 42 c CB 4.364 46.876 42.510 0.003 0.000 1.632 42 c HN -0.474 7.684 8.230 -0.120 0.000 0.452 43 G N -1.807 107.047 108.800 0.090 0.000 2.491 43 G HA2 0.821 nan 3.960 nan 0.000 0.327 43 G HA3 0.821 nan 3.960 nan 0.000 0.327 43 G C -2.833 172.149 174.900 0.137 0.000 1.189 43 G CA -1.456 43.731 45.100 0.146 0.000 0.956 43 G HN 0.497 8.844 8.290 0.096 0.000 0.491 44 A N -1.513 121.410 122.820 0.171 0.000 2.557 44 A HA 0.942 nan 4.320 nan 0.000 0.292 44 A C -2.584 175.127 177.584 0.212 0.000 1.139 44 A CA -0.460 51.679 52.037 0.171 0.000 0.665 44 A CB 3.022 22.112 19.000 0.150 0.000 1.285 44 A HN 0.336 8.606 8.150 0.200 0.000 0.433 45 S N -3.083 112.747 115.700 0.218 0.000 2.634 45 S HA 0.863 nan 4.470 nan 0.000 0.296 45 S C -1.247 173.492 174.600 0.232 0.000 1.104 45 S CA -2.102 56.250 58.200 0.254 0.000 0.920 45 S CB 3.117 66.458 63.200 0.236 0.000 1.111 45 S HN 0.604 9.035 8.310 0.201 0.000 0.493 46 L N 1.978 123.356 121.223 0.258 0.000 2.255 46 L HA 0.487 nan 4.340 nan 0.000 0.289 46 L C -0.647 176.333 176.870 0.183 0.000 1.046 46 L CA -0.455 54.517 54.840 0.220 0.000 0.816 46 L CB 0.966 43.160 42.059 0.224 0.000 1.197 46 L HN 0.520 8.843 8.230 0.332 0.107 0.427 47 I N 0.589 121.252 120.570 0.156 0.000 3.941 47 I HA 0.287 nan 4.170 nan 0.000 0.335 47 I C -1.027 175.143 176.117 0.088 0.000 1.402 47 I CA -0.636 60.718 61.300 0.091 0.000 1.112 47 I CB -0.044 37.993 38.000 0.063 0.000 1.043 47 I HN 0.181 8.507 8.210 0.194 0.000 0.395 48 S N -0.976 114.801 115.700 0.127 0.000 2.701 48 S HA 0.020 nan 4.470 nan 0.000 0.267 48 S C -1.113 173.560 174.600 0.122 0.000 1.034 48 S CA -0.258 58.010 58.200 0.113 0.000 0.867 48 S CB 0.734 64.034 63.200 0.168 0.000 1.123 48 S HN -0.793 7.557 8.310 0.154 0.053 0.470 49 D N -2.128 118.325 120.400 0.088 0.000 2.378 49 D HA -0.126 nan 4.640 nan 0.000 0.227 49 D C 0.357 176.690 176.300 0.055 0.000 1.012 49 D CA 1.871 55.910 54.000 0.065 0.000 0.905 49 D CB -0.890 39.934 40.800 0.040 0.000 0.895 49 D HN 0.477 8.891 8.370 0.073 0.000 0.532 50 R N -2.221 118.330 120.500 0.085 0.000 2.419 50 R HA 0.196 nan 4.340 nan 0.000 0.235 50 R C -1.840 174.368 176.300 -0.153 0.000 0.899 50 R CA 0.025 56.071 56.100 -0.090 0.000 1.048 50 R CB 2.280 32.421 30.300 -0.264 0.000 1.182 50 R HN -0.735 7.584 8.270 0.188 0.064 0.544 51 W N -3.558 117.769 121.300 0.046 0.000 2.883 51 W HA 0.432 nan 4.660 nan 0.000 0.335 51 W C -1.853 174.711 176.519 0.075 0.000 1.083 51 W CA -0.541 56.838 57.345 0.057 0.000 1.233 51 W CB 3.712 33.191 29.460 0.031 0.000 1.412 51 W HN -0.671 7.684 8.180 0.291 0.000 0.490 52 V N 3.069 123.224 119.914 0.401 0.000 2.588 52 V HA 0.713 nan 4.120 nan 0.000 0.304 52 V C -2.209 174.057 176.094 0.287 0.000 1.042 52 V CA -1.387 61.079 62.300 0.278 0.000 0.877 52 V CB 3.175 35.121 31.823 0.205 0.000 0.996 52 V HN 0.504 8.981 8.190 0.477 0.000 0.425 53 L N 8.697 130.060 121.223 0.233 0.000 2.325 53 L HA 0.844 nan 4.340 nan 0.000 0.279 53 L C -2.171 174.811 176.870 0.187 0.000 1.054 53 L CA -1.088 53.884 54.840 0.220 0.000 0.804 53 L CB 2.878 45.053 42.059 0.192 0.000 1.200 53 L HN 0.278 8.636 8.230 0.214 0.000 0.436 54 T N 5.830 120.479 114.554 0.160 0.000 2.645 54 T HA 0.519 nan 4.350 nan 0.000 0.300 54 T C -2.477 172.246 174.700 0.039 0.000 1.210 54 T CA -1.602 60.558 62.100 0.099 0.000 1.034 54 T CB 3.438 72.349 68.868 0.072 0.000 1.537 54 T HN 0.753 9.099 8.240 0.177 0.000 0.492 55 A N -0.900 121.880 122.820 -0.067 0.000 2.302 55 A HA 0.637 nan 4.320 nan 0.000 0.285 55 A C 0.386 177.785 177.584 -0.308 0.000 1.105 55 A CA -1.757 50.172 52.037 -0.179 0.000 0.816 55 A CB 0.963 19.782 19.000 -0.301 0.000 1.067 55 A HN 0.342 8.439 8.150 -0.088 0.000 0.489 56 A N 2.947 125.549 122.820 -0.364 0.000 1.930 56 A HA -0.263 nan 4.320 nan 0.000 0.217 56 A C 1.290 178.585 177.584 -0.481 0.000 1.175 56 A CA 3.126 54.831 52.037 -0.554 0.000 0.627 56 A CB -0.379 17.914 19.000 -1.179 0.000 0.815 56 A HN 0.499 8.525 8.150 -0.296 -0.053 0.443 57 H N -4.753 114.190 119.070 -0.212 0.000 2.489 57 H HA -0.161 nan 4.556 nan 0.000 0.293 57 H C 1.168 176.503 175.328 0.011 0.000 1.066 57 H CA 2.577 58.642 56.048 0.029 0.000 1.305 57 H CB -0.959 28.880 29.762 0.127 0.000 1.386 57 H HN -0.214 8.162 8.280 -0.319 -0.287 0.551 58 c N -0.542 117.803 118.600 -0.425 0.000 2.419 58 c HA -0.236 nan 4.570 nan 0.000 0.283 58 c C -0.502 173.539 174.090 -0.082 0.000 1.373 58 c CA 2.054 58.259 56.329 -0.206 0.000 1.781 58 c CB -0.671 41.706 42.510 -0.221 0.000 1.886 58 c HN -0.462 7.209 8.230 -0.697 0.141 0.520 59 L N -3.079 118.093 121.223 -0.084 0.000 2.304 59 L HA 0.283 nan 4.340 nan 0.000 0.268 59 L C 0.183 177.035 176.870 -0.031 0.000 1.010 59 L CA -0.823 53.987 54.840 -0.049 0.000 0.813 59 L CB 2.576 44.604 42.059 -0.052 0.000 1.315 59 L HN -0.289 7.698 8.230 -0.120 0.171 0.445 60 T N -2.718 111.821 114.554 -0.025 0.000 2.910 60 T HA 0.355 nan 4.350 nan 0.000 0.279 60 T C 1.095 175.779 174.700 -0.028 0.000 0.989 60 T CA -1.835 60.248 62.100 -0.029 0.000 0.968 60 T CB 1.794 70.645 68.868 -0.028 0.000 1.135 60 T HN 0.197 8.763 8.240 -0.022 -0.339 0.562 61 V N 0.134 120.026 119.914 -0.037 0.000 2.720 61 V HA -0.158 nan 4.120 nan 0.000 0.256 61 V C 0.177 176.254 176.094 -0.028 0.000 1.082 61 V CA 2.672 64.949 62.300 -0.038 0.000 1.101 61 V CB -0.184 31.607 31.823 -0.054 0.000 0.693 61 V HN 0.572 8.737 8.190 -0.042 0.000 0.479 62 D N -6.382 114.003 120.400 -0.025 0.000 2.643 62 D HA 0.089 nan 4.640 nan 0.000 0.244 62 D C -0.050 176.240 176.300 -0.016 0.000 1.257 62 D CA -0.522 53.465 54.000 -0.021 0.000 0.831 62 D CB -0.471 40.315 40.800 -0.023 0.000 1.043 62 D HN -0.591 7.732 8.370 -0.026 0.031 0.488 63 D N -0.494 119.899 120.400 -0.012 0.000 2.369 63 D HA 0.211 nan 4.640 nan 0.000 0.211 63 D C -1.300 175.004 176.300 0.007 0.000 1.077 63 D CA 1.159 55.156 54.000 -0.005 0.000 0.842 63 D CB 1.397 42.193 40.800 -0.007 0.000 0.947 63 D HN 0.209 8.405 8.370 -0.014 0.165 0.509 64 L N -3.061 118.167 121.223 0.009 0.000 2.409 64 L HA 0.695 nan 4.340 nan 0.000 0.262 64 L C -2.040 174.847 176.870 0.029 0.000 0.992 64 L CA -0.820 54.038 54.840 0.029 0.000 0.817 64 L CB 3.643 45.715 42.059 0.022 0.000 1.350 64 L HN -0.816 7.364 8.230 -0.001 0.049 0.411 65 L N -2.768 118.490 121.223 0.058 0.000 2.389 65 L HA 0.871 nan 4.340 nan 0.000 0.249 65 L C -2.127 174.802 176.870 0.098 0.000 1.083 65 L CA -1.645 53.221 54.840 0.044 0.000 0.876 65 L CB 2.917 44.975 42.059 -0.001 0.000 1.489 65 L HN 0.566 8.855 8.230 0.100 0.000 0.412 66 V N -1.311 118.654 119.914 0.085 0.000 2.686 66 V HA 0.558 nan 4.120 nan 0.000 0.306 66 V C -1.919 174.242 176.094 0.112 0.000 1.065 66 V CA -0.764 61.611 62.300 0.125 0.000 0.894 66 V CB 3.820 35.699 31.823 0.093 0.000 1.004 66 V HN 0.233 8.451 8.190 0.047 0.000 0.424 67 R N 5.843 126.441 120.500 0.163 0.000 2.589 67 R HA 0.938 nan 4.340 nan 0.000 0.293 67 R C -1.461 174.915 176.300 0.126 0.000 0.963 67 R CA -1.534 54.631 56.100 0.109 0.000 0.905 67 R CB 3.006 33.349 30.300 0.072 0.000 1.144 67 R HN 0.551 8.858 8.270 0.239 0.107 0.459 68 I N -0.157 120.477 120.570 0.107 0.000 2.785 68 I HA 0.436 nan 4.170 nan 0.000 0.302 68 I C -0.242 175.945 176.117 0.116 0.000 1.069 68 I CA -1.328 60.050 61.300 0.129 0.000 1.045 68 I CB 2.744 40.816 38.000 0.120 0.000 1.236 68 I HN 0.584 8.845 8.210 0.083 0.000 0.429 69 G N 2.936 111.823 108.800 0.144 0.000 2.148 69 G HA2 -0.472 nan 3.960 nan 0.000 0.254 69 G HA3 -0.472 nan 3.960 nan 0.000 0.254 69 G C -1.076 173.896 174.900 0.120 0.000 0.981 69 G CA 0.411 45.592 45.100 0.135 0.000 0.670 69 G HN 0.365 8.754 8.290 0.165 0.000 0.528 70 K N -1.248 119.265 120.400 0.189 0.000 2.090 70 K HA 0.141 nan 4.320 nan 0.000 0.250 70 K C -1.268 175.610 176.600 0.464 0.000 1.004 70 K CA -0.044 56.372 56.287 0.216 0.000 0.919 70 K CB 0.931 33.463 32.500 0.054 0.000 1.045 70 K HN -0.538 7.820 8.250 0.229 0.029 0.471 71 H N 0.204 119.466 119.070 0.320 0.000 2.312 71 H HA 0.271 nan 4.556 nan 0.000 0.215 71 H C -0.679 174.949 175.328 0.500 0.000 0.870 71 H CA 1.012 57.261 56.048 0.335 0.000 0.982 71 H CB 3.306 33.127 29.762 0.099 0.000 1.330 71 H HN 0.040 8.841 8.280 0.294 -0.344 0.399 72 S N -1.723 114.063 115.700 0.143 0.000 2.586 72 S HA 0.121 nan 4.470 nan 0.000 0.274 72 S C 0.427 175.082 174.600 0.091 0.000 1.281 72 S CA -1.523 56.733 58.200 0.094 0.000 1.035 72 S CB 1.102 64.326 63.200 0.040 0.000 0.962 72 S HN -0.566 8.259 8.310 0.180 -0.408 0.512 73 R N 6.793 127.322 120.500 0.049 0.000 2.115 73 R HA -0.117 nan 4.340 nan 0.000 0.226 73 R C 0.944 177.143 176.300 -0.168 0.000 1.100 73 R CA 2.370 58.247 56.100 -0.372 0.000 0.980 73 R CB 0.312 30.476 30.300 -0.227 0.000 0.875 73 R HN 0.465 8.733 8.270 0.203 0.124 0.445 74 T N -4.095 110.429 114.554 -0.050 0.000 2.815 74 T HA 0.036 nan 4.350 nan 0.000 0.244 74 T C -0.101 174.594 174.700 -0.009 0.000 1.040 74 T CA 1.008 63.098 62.100 -0.017 0.000 1.176 74 T CB 0.250 69.120 68.868 0.004 0.000 0.880 74 T HN -0.438 7.766 8.240 -0.015 0.027 0.414 75 R N -0.206 120.297 120.500 0.004 0.000 2.664 75 R HA 0.326 nan 4.340 nan 0.000 0.286 75 R C -0.324 176.004 176.300 0.046 0.000 0.967 75 R CA -1.586 54.532 56.100 0.029 0.000 0.933 75 R CB 1.204 31.522 30.300 0.030 0.000 1.146 75 R HN -0.142 8.128 8.270 0.001 0.000 0.468 76 Y N 3.571 123.832 120.300 -0.065 0.000 2.156 76 Y HA -0.201 nan 4.550 nan 0.000 0.403 76 Y C 0.117 175.985 175.900 -0.053 0.000 1.239 76 Y CA 1.767 59.825 58.100 -0.070 0.000 1.824 76 Y CB 0.801 39.217 38.460 -0.075 0.000 1.526 76 Y HN 0.389 8.773 8.280 0.173 0.000 0.750 77 R N -1.440 118.601 120.500 -0.765 0.000 3.578 77 R HA 0.150 nan 4.340 nan 0.000 0.131 77 R C 2.096 178.185 176.300 -0.351 0.000 0.722 77 R CA -0.022 55.646 56.100 -0.720 0.000 1.328 77 R CB -0.177 29.968 30.300 -0.257 0.000 1.650 77 R HN 0.243 8.191 8.270 -0.537 0.000 0.485 78 K N -0.083 120.178 120.400 -0.233 0.000 2.288 78 K HA -0.081 nan 4.320 nan 0.000 0.201 78 K C 0.191 176.724 176.600 -0.111 0.000 1.048 78 K CA 1.421 57.632 56.287 -0.126 0.000 0.956 78 K CB -0.020 32.423 32.500 -0.096 0.000 0.746 78 K HN 0.374 8.476 8.250 -0.247 0.000 0.461 79 V N -10.574 109.228 119.914 -0.186 0.000 3.562 79 V HA 0.344 nan 4.120 nan 0.000 0.270 79 V C -0.938 175.104 176.094 -0.087 0.000 1.418 79 V CA -1.020 61.197 62.300 -0.137 0.000 1.033 79 V CB 1.292 32.898 31.823 -0.363 0.000 0.820 79 V HN -0.660 7.306 8.190 -0.271 0.062 0.441 80 E N -0.491 119.626 120.200 -0.139 0.000 2.214 80 E HA 0.250 nan 4.350 nan 0.000 0.274 80 E C -0.835 175.773 176.600 0.013 0.000 0.977 80 E CA -1.393 54.974 56.400 -0.056 0.000 0.827 80 E CB 1.703 31.354 29.700 -0.082 0.000 1.130 80 E HN -0.574 7.641 8.360 -0.242 0.000 0.394 81 K N 1.927 122.356 120.400 0.048 0.000 2.323 81 K HA 0.389 nan 4.320 nan 0.000 0.259 81 K C -1.564 175.070 176.600 0.058 0.000 0.947 81 K CA -1.931 54.392 56.287 0.059 0.000 0.819 81 K CB 1.965 34.499 32.500 0.056 0.000 1.109 81 K HN 0.147 8.428 8.250 0.052 0.000 0.429 82 I N 3.319 123.919 120.570 0.050 0.000 2.428 82 I HA 0.444 nan 4.170 nan 0.000 0.296 82 I C -1.420 174.704 176.117 0.011 0.000 0.985 82 I CA -0.761 60.547 61.300 0.013 0.000 1.260 82 I CB 1.157 39.140 38.000 -0.029 0.000 1.389 82 I HN 0.481 8.729 8.210 0.065 0.000 0.484 83 S N 3.380 119.086 115.700 0.010 0.000 2.570 83 S HA 0.397 nan 4.470 nan 0.000 0.270 83 S C -1.997 172.602 174.600 -0.001 0.000 1.149 83 S CA -1.381 56.821 58.200 0.003 0.000 0.837 83 S CB 1.976 65.183 63.200 0.011 0.000 1.124 83 S HN 0.502 8.822 8.310 0.016 0.000 0.465 84 M N 1.970 121.561 119.600 -0.014 0.000 2.537 84 M HA 0.451 nan 4.480 nan 0.000 0.324 84 M C -1.390 174.893 176.300 -0.029 0.000 1.187 84 M CA -0.822 54.466 55.300 -0.020 0.000 0.993 84 M CB 2.128 34.711 32.600 -0.027 0.000 1.666 84 M HN 0.194 8.473 8.290 -0.018 0.000 0.461 85 L N -0.357 120.847 121.223 -0.031 0.000 2.325 85 L HA 0.197 nan 4.340 nan 0.000 0.279 85 L C 0.006 176.838 176.870 -0.064 0.000 1.054 85 L CA -0.399 54.412 54.840 -0.048 0.000 0.804 85 L CB 0.550 42.588 42.059 -0.035 0.000 1.200 85 L HN 0.457 8.672 8.230 -0.026 0.000 0.436 86 D N 2.456 122.801 120.400 -0.092 0.000 2.146 86 D HA -0.099 nan 4.640 nan 0.000 0.209 86 D C -0.019 176.217 176.300 -0.107 0.000 0.973 86 D CA 1.332 55.275 54.000 -0.094 0.000 0.860 86 D CB 1.436 42.168 40.800 -0.113 0.000 1.015 86 D HN 0.626 8.781 8.370 -0.113 0.147 0.465 87 K N -2.637 117.676 120.400 -0.145 0.000 2.433 87 K HA 0.221 nan 4.320 nan 0.000 0.252 87 K C -1.739 174.689 176.600 -0.288 0.000 1.015 87 K CA -1.851 54.295 56.287 -0.235 0.000 0.860 87 K CB 3.361 35.668 32.500 -0.321 0.000 1.359 87 K HN -0.560 7.599 8.250 -0.151 0.000 0.452 88 I N 1.014 121.329 120.570 -0.424 0.000 2.478 88 I HA 0.343 nan 4.170 nan 0.000 0.287 88 I C -1.067 174.811 176.117 -0.399 0.000 1.042 88 I CA -1.553 59.581 61.300 -0.276 0.000 1.067 88 I CB 2.955 40.887 38.000 -0.113 0.000 1.233 88 I HN -0.037 7.882 8.210 -0.484 0.000 0.431 89 Y N 6.946 127.384 120.300 0.230 0.000 2.328 89 Y HA 0.310 nan 4.550 nan 0.000 0.333 89 Y C -1.795 174.365 175.900 0.432 0.000 0.958 89 Y CA -1.527 56.761 58.100 0.313 0.000 1.167 89 Y CB 1.952 40.580 38.460 0.281 0.000 1.151 89 Y HN 0.942 9.350 8.280 0.213 0.000 0.470 90 I N 2.477 123.291 120.570 0.407 0.000 2.493 90 I HA 0.299 nan 4.170 nan 0.000 0.298 90 I C -1.240 174.981 176.117 0.173 0.000 0.998 90 I CA -1.926 59.495 61.300 0.203 0.000 1.137 90 I CB 2.870 40.929 38.000 0.099 0.000 1.310 90 I HN 0.300 8.727 8.210 0.361 0.000 0.445 91 H N 8.927 127.798 119.070 -0.332 0.000 2.964 91 H HA 0.007 nan 4.556 nan 0.000 0.328 91 H C -0.440 174.866 175.328 -0.035 0.000 1.030 91 H CA 0.577 56.330 56.048 -0.492 0.000 1.445 91 H CB 0.478 29.744 29.762 -0.827 0.000 1.449 91 H HN -0.300 7.780 8.280 -0.333 0.000 0.581 92 P HA -0.138 nan 4.420 nan 0.000 0.216 92 P C -0.148 177.330 177.300 0.298 0.000 1.150 92 P CA 1.837 65.072 63.100 0.226 0.000 0.837 92 P CB 0.391 32.161 31.700 0.117 0.000 0.786 93 R N -4.568 116.217 120.500 0.475 0.000 2.359 93 R HA 0.073 nan 4.340 nan 0.000 0.231 93 R C -0.432 175.857 176.300 -0.019 0.000 0.913 93 R CA -1.070 55.109 56.100 0.132 0.000 1.075 93 R CB 0.067 30.414 30.300 0.078 0.000 1.087 93 R HN -0.302 8.601 8.270 1.055 0.000 0.515 94 Y N 1.926 122.188 120.300 -0.064 0.000 2.954 94 Y HA -0.428 nan 4.550 nan 0.000 0.351 94 Y C -1.238 174.652 175.900 -0.017 0.000 1.282 94 Y CA 0.885 58.959 58.100 -0.043 0.000 1.614 94 Y CB -0.162 38.332 38.460 0.057 0.000 1.183 94 Y HN -0.877 7.472 8.280 0.300 0.111 0.566 95 N N 8.986 127.433 118.700 -0.421 0.000 2.706 95 N HA 0.225 nan 4.740 nan 0.000 0.240 95 N C -1.314 173.774 175.510 -0.702 0.000 1.039 95 N CA -2.377 50.308 53.050 -0.609 0.000 0.888 95 N CB 0.332 38.587 38.487 -0.386 0.000 1.128 95 N HN 0.134 8.414 8.380 -0.167 0.000 0.512 96 W N 3.852 124.679 121.300 -0.788 0.000 1.303 96 W HA -0.085 nan 4.660 nan 0.000 0.478 96 W C -0.155 176.191 176.519 -0.288 0.000 0.604 96 W CA -1.110 55.930 57.345 -0.509 0.000 2.319 96 W CB -2.412 26.811 29.460 -0.396 0.000 1.443 96 W HN 0.203 7.632 8.180 -1.251 0.000 0.249 97 E N 5.981 125.990 120.200 -0.319 0.000 3.848 97 E HA -0.394 nan 4.350 nan 0.000 0.326 97 E C -0.928 175.469 176.600 -0.338 0.000 1.382 97 E CA 2.344 58.571 56.400 -0.289 0.000 1.859 97 E CB -0.741 28.792 29.700 -0.279 0.000 1.665 97 E HN 0.355 8.546 8.360 -0.283 0.000 0.299 98 N N -3.946 114.534 118.700 -0.367 0.000 2.116 98 N HA 0.040 nan 4.740 nan 0.000 0.230 98 N C -1.074 174.157 175.510 -0.465 0.000 1.326 98 N CA -0.228 52.519 53.050 -0.506 0.000 0.867 98 N CB 1.466 39.735 38.487 -0.363 0.000 1.174 98 N HN -0.154 8.029 8.380 -0.329 0.000 0.506 99 L N -2.554 118.505 121.223 -0.273 0.000 3.634 99 L HA -0.507 nan 4.340 nan 0.000 0.423 99 L C -1.585 175.339 176.870 0.089 0.000 1.253 99 L CA 0.808 55.638 54.840 -0.016 0.000 0.885 99 L CB -2.872 39.212 42.059 0.041 0.000 1.789 99 L HN -0.089 7.970 8.230 -0.285 0.000 0.904 100 D N -0.915 119.478 120.400 -0.013 0.000 2.382 100 D HA -0.038 nan 4.640 nan 0.000 0.245 100 D C -0.036 176.287 176.300 0.038 0.000 1.120 100 D CA 0.513 54.521 54.000 0.014 0.000 0.890 100 D CB 1.063 41.824 40.800 -0.066 0.000 1.201 100 D HN -0.848 7.543 8.370 -0.122 -0.095 0.433 101 R N 0.084 120.574 120.500 -0.015 0.000 3.422 101 R HA -0.435 nan 4.340 nan 0.000 0.267 101 R C -1.524 174.743 176.300 -0.056 0.000 1.074 101 R CA 1.032 57.035 56.100 -0.162 0.000 0.718 101 R CB -1.163 28.821 30.300 -0.527 0.000 1.157 101 R HN 0.742 9.026 8.270 0.023 0.000 0.440 102 D N -1.017 119.421 120.400 0.063 0.000 2.483 102 D HA 0.117 nan 4.640 nan 0.000 0.220 102 D C -1.852 174.406 176.300 -0.071 0.000 1.173 102 D CA -0.509 53.509 54.000 0.029 0.000 0.964 102 D CB 0.054 40.984 40.800 0.217 0.000 1.046 102 D HN 0.001 8.425 8.370 0.090 0.000 0.517 103 I N 3.122 123.568 120.570 -0.207 0.000 2.787 103 I HA 0.649 nan 4.170 nan 0.000 0.294 103 I C -3.430 172.590 176.117 -0.162 0.000 1.365 103 I CA -0.960 60.267 61.300 -0.123 0.000 1.029 103 I CB 4.117 42.085 38.000 -0.053 0.000 1.313 103 I HN -0.510 7.516 8.210 -0.307 0.000 0.431 104 A N 5.352 128.223 122.820 0.085 0.000 2.549 104 A HA 0.958 nan 4.320 nan 0.000 0.297 104 A C -3.077 174.742 177.584 0.390 0.000 1.061 104 A CA -1.044 51.140 52.037 0.245 0.000 0.690 104 A CB 3.823 22.867 19.000 0.075 0.000 1.287 104 A HN 0.298 8.522 8.150 0.123 0.000 0.402 105 L N 0.446 121.996 121.223 0.546 0.000 2.346 105 L HA 0.893 nan 4.340 nan 0.000 0.276 105 L C -2.060 175.139 176.870 0.549 0.000 1.006 105 L CA -1.537 53.615 54.840 0.519 0.000 0.817 105 L CB 3.806 46.130 42.059 0.442 0.000 1.272 105 L HN 0.811 9.438 8.230 0.661 0.000 0.421 106 L N 2.433 123.941 121.223 0.475 0.000 2.356 106 L HA 0.573 nan 4.340 nan 0.000 0.277 106 L C -2.037 174.927 176.870 0.156 0.000 0.996 106 L CA -1.284 53.710 54.840 0.256 0.000 0.822 106 L CB 2.086 44.240 42.059 0.158 0.000 1.256 106 L HN 0.766 9.298 8.230 0.504 0.000 0.413 107 K N 4.197 124.540 120.400 -0.095 0.000 2.248 107 K HA 0.495 nan 4.320 nan 0.000 0.281 107 K C -0.755 175.667 176.600 -0.297 0.000 1.054 107 K CA -1.152 54.816 56.287 -0.533 0.000 0.903 107 K CB 1.461 33.595 32.500 -0.611 0.000 1.077 107 K HN 0.464 8.578 8.250 -0.045 0.108 0.474 108 L N 7.141 128.193 121.223 -0.285 0.000 2.467 108 L HA -0.221 nan 4.340 nan 0.000 0.270 108 L C -0.391 176.385 176.870 -0.156 0.000 1.205 108 L CA 1.097 55.844 54.840 -0.155 0.000 0.828 108 L CB -0.067 41.931 42.059 -0.101 0.000 1.101 108 L HN 0.634 8.633 8.230 -0.385 0.000 0.479 109 K N 2.251 122.594 120.400 -0.096 0.000 1.991 109 K HA -0.277 nan 4.320 nan 0.000 0.212 109 K C -0.275 176.282 176.600 -0.072 0.000 1.049 109 K CA 2.311 58.552 56.287 -0.077 0.000 0.932 109 K CB 0.644 33.113 32.500 -0.051 0.000 0.717 109 K HN 0.653 8.859 8.250 -0.073 0.000 0.441 110 R N -4.887 115.579 120.500 -0.056 0.000 2.888 110 R HA 0.441 nan 4.340 nan 0.000 0.266 110 R C -2.697 173.578 176.300 -0.042 0.000 1.020 110 R CA -2.989 53.084 56.100 -0.045 0.000 0.963 110 R CB -0.594 29.691 30.300 -0.026 0.000 1.197 110 R HN -0.390 7.851 8.270 -0.048 0.000 0.481 111 P HA -0.211 nan 4.420 nan 0.000 0.264 111 P C -1.001 176.302 177.300 0.005 0.000 1.179 111 P CA 0.397 63.490 63.100 -0.011 0.000 0.763 111 P CB 0.228 31.927 31.700 -0.001 0.000 0.806 112 I N 2.597 123.178 120.570 0.018 0.000 2.472 112 I HA -0.077 nan 4.170 nan 0.000 0.290 112 I C -0.102 176.035 176.117 0.034 0.000 1.016 112 I CA -1.720 59.599 61.300 0.032 0.000 1.348 112 I CB 0.875 38.904 38.000 0.048 0.000 1.417 112 I HN 0.177 8.288 8.210 0.020 0.111 0.521 113 E N 6.955 127.177 120.200 0.038 0.000 2.070 113 E HA -0.048 nan 4.350 nan 0.000 0.282 113 E C -0.792 175.841 176.600 0.054 0.000 1.104 113 E CA -0.969 55.456 56.400 0.041 0.000 0.876 113 E CB 0.409 30.132 29.700 0.039 0.000 1.055 113 E HN 0.176 8.559 8.360 0.037 0.000 0.401 114 L N 5.172 126.426 121.223 0.053 0.000 2.499 114 L HA -0.004 nan 4.340 nan 0.000 0.281 114 L C -0.241 176.677 176.870 0.081 0.000 1.234 114 L CA 0.612 55.493 54.840 0.070 0.000 0.839 114 L CB -0.173 41.917 42.059 0.052 0.000 1.104 114 L HN 0.274 8.529 8.230 0.042 0.000 0.500 115 S N 0.840 116.599 115.700 0.099 0.000 2.615 115 S HA 0.186 nan 4.470 nan 0.000 0.269 115 S C 0.228 174.831 174.600 0.005 0.000 1.161 115 S CA -1.020 57.221 58.200 0.068 0.000 0.817 115 S CB 2.186 65.457 63.200 0.117 0.000 1.131 115 S HN 0.463 8.852 8.310 0.131 0.000 0.467 116 D N 2.499 122.814 120.400 -0.142 0.000 2.221 116 D HA -0.180 nan 4.640 nan 0.000 0.204 116 D C 0.124 176.055 176.300 -0.615 0.000 0.982 116 D CA 2.604 56.350 54.000 -0.422 0.000 0.857 116 D CB 0.220 40.643 40.800 -0.628 0.000 0.934 116 D HN 0.572 8.887 8.370 -0.092 0.000 0.475 117 Y N -5.019 115.273 120.300 -0.014 0.000 2.467 117 Y HA 0.099 nan 4.550 nan 0.000 0.250 117 Y C -0.615 175.285 175.900 0.000 0.000 1.155 117 Y CA -0.215 57.867 58.100 -0.030 0.000 1.249 117 Y CB 1.361 39.808 38.460 -0.022 0.000 1.146 117 Y HN -0.525 7.690 8.280 -0.046 0.037 0.524 118 I N -0.111 120.542 120.570 0.138 0.000 2.534 118 I HA 0.135 nan 4.170 nan 0.000 0.286 118 I C -2.481 173.753 176.117 0.194 0.000 1.094 118 I CA -0.126 61.264 61.300 0.150 0.000 1.055 118 I CB 2.901 40.984 38.000 0.138 0.000 1.225 118 I HN -0.306 7.833 8.210 0.099 0.131 0.435 119 H N 8.739 127.877 119.070 0.112 0.000 3.123 119 H HA 0.221 nan 4.556 nan 0.000 0.346 119 H C -3.065 172.436 175.328 0.288 0.000 1.138 119 H CA -1.745 54.397 56.048 0.156 0.000 1.273 119 H CB 3.849 33.679 29.762 0.113 0.000 1.926 119 H HN 0.254 8.578 8.280 0.233 0.096 0.524 120 P HA 0.120 nan 4.420 nan 0.000 0.274 120 P C -1.730 175.667 177.300 0.162 0.000 1.237 120 P CA -0.805 62.345 63.100 0.083 0.000 0.793 120 P CB 0.856 32.526 31.700 -0.050 0.000 0.977 121 V N -0.489 119.390 119.914 -0.058 0.000 2.975 121 V HA 0.336 nan 4.120 nan 0.000 0.318 121 V C -0.449 175.470 176.094 -0.292 0.000 1.077 121 V CA -2.558 59.453 62.300 -0.482 0.000 1.000 121 V CB 2.828 34.072 31.823 -0.964 0.000 1.066 121 V HN -0.297 7.886 8.190 -0.010 0.000 0.452 122 C N 5.189 124.269 119.300 -0.367 0.000 2.365 122 C HA 0.427 nan 4.460 nan 0.000 0.349 122 C C -0.809 174.152 174.990 -0.049 0.000 1.191 122 C CA -1.900 56.974 59.018 -0.240 0.000 2.114 122 C CB 0.792 28.271 27.740 -0.433 0.000 2.367 122 C HN 0.002 7.923 8.230 -0.516 0.000 0.530 123 L N 1.047 122.315 121.223 0.075 0.000 2.395 123 L HA 0.339 nan 4.340 nan 0.000 0.269 123 L C -1.460 175.624 176.870 0.357 0.000 1.133 123 L CA -2.249 52.701 54.840 0.183 0.000 0.812 123 L CB -0.238 41.883 42.059 0.103 0.000 1.125 123 L HN 0.345 8.598 8.230 0.038 0.000 0.452 124 P HA 0.098 nan 4.420 nan 0.000 0.276 124 P C -1.390 176.072 177.300 0.270 0.000 1.230 124 P CA -0.728 62.516 63.100 0.240 0.000 0.776 124 P CB 0.385 32.187 31.700 0.171 0.000 0.888 125 D N 1.252 121.687 120.400 0.058 0.000 2.354 125 D HA -0.049 nan 4.640 nan 0.000 0.247 125 D C 0.852 177.058 176.300 -0.157 0.000 1.138 125 D CA -0.654 53.406 54.000 0.100 0.000 0.958 125 D CB 0.939 41.753 40.800 0.022 0.000 1.144 125 D HN 0.029 8.326 8.370 -0.121 0.000 0.458 126 K N -0.228 120.144 120.400 -0.046 0.000 2.148 126 K HA -0.501 nan 4.320 nan 0.000 0.213 126 K C 1.797 178.159 176.600 -0.397 0.000 1.050 126 K CA 3.277 59.379 56.287 -0.309 0.000 0.932 126 K CB -0.210 32.312 32.500 0.038 0.000 0.717 126 K HN 0.594 9.019 8.250 0.290 0.000 0.462 127 Q N -4.478 115.168 119.800 -0.256 0.000 2.123 127 Q HA 0.011 nan 4.340 nan 0.000 0.196 127 Q C 1.231 177.066 176.000 -0.275 0.000 0.958 127 Q CA 0.923 56.598 55.803 -0.214 0.000 0.841 127 Q CB 0.398 29.056 28.738 -0.133 0.000 0.915 127 Q HN -0.519 7.772 8.270 -0.197 -0.138 0.455 128 T N 2.910 117.255 114.554 -0.347 0.000 2.792 128 T HA -0.175 nan 4.350 nan 0.000 0.286 128 T C 0.670 175.111 174.700 -0.431 0.000 0.970 128 T CA 2.294 64.138 62.100 -0.427 0.000 1.187 128 T CB -0.733 67.709 68.868 -0.710 0.000 0.915 128 T HN -0.350 8.006 8.240 -0.333 -0.316 0.529 129 L N 2.563 123.552 121.223 -0.389 0.000 2.299 129 L HA -0.308 nan 4.340 nan 0.000 0.474 129 L C -0.862 175.702 176.870 -0.511 0.000 0.727 129 L CA 1.438 56.120 54.840 -0.263 0.000 2.891 129 L CB -0.496 41.485 42.059 -0.130 0.000 0.888 129 L HN 0.920 8.922 8.230 -0.380 0.000 0.680 130 L N -0.150 120.668 121.223 -0.674 0.000 2.387 130 L HA 0.079 nan 4.340 nan 0.000 0.267 130 L C -1.186 175.223 176.870 -0.768 0.000 1.197 130 L CA -0.307 54.173 54.840 -0.600 0.000 1.070 130 L CB -1.688 40.107 42.059 -0.440 0.000 1.349 130 L HN -0.148 7.702 8.230 -0.633 0.000 0.422 131 H N 1.438 120.144 119.070 -0.606 0.000 2.679 131 H HA 0.265 nan 4.556 nan 0.000 0.360 131 H C -0.913 174.178 175.328 -0.395 0.000 1.105 131 H CA -1.588 54.090 56.048 -0.616 0.000 1.196 131 H CB 3.189 32.356 29.762 -0.991 0.000 1.636 131 H HN 0.092 7.883 8.280 -0.753 0.037 0.531 132 A N 2.573 125.316 122.820 -0.129 0.000 2.591 132 A HA -0.482 nan 4.320 nan 0.000 0.244 132 A C 0.572 178.171 177.584 0.025 0.000 1.031 132 A CA 1.671 53.664 52.037 -0.074 0.000 0.767 132 A CB -0.710 18.240 19.000 -0.083 0.000 0.942 132 A HN 0.762 8.837 8.150 -0.124 0.000 0.514 133 G N 4.049 112.883 108.800 0.056 0.000 2.241 133 G HA2 -0.403 nan 3.960 nan 0.000 0.244 133 G HA3 -0.403 nan 3.960 nan 0.000 0.244 133 G C -0.634 174.410 174.900 0.240 0.000 0.998 133 G CA -0.225 44.948 45.100 0.123 0.000 0.621 133 G HN 0.347 8.531 8.290 0.001 0.106 0.519 134 F N 2.337 122.276 119.950 -0.019 0.000 2.429 134 F HA 0.012 nan 4.527 nan 0.000 0.348 134 F C -0.563 175.225 175.800 -0.019 0.000 1.109 134 F CA -1.153 56.835 58.000 -0.020 0.000 1.232 134 F CB 0.705 39.685 39.000 -0.034 0.000 1.157 134 F HN -0.179 8.294 8.300 0.401 0.067 0.564 135 K N 2.157 122.597 120.400 0.067 0.000 2.123 135 K HA 0.574 nan 4.320 nan 0.000 0.259 135 K C -0.767 175.815 176.600 -0.030 0.000 0.960 135 K CA -0.956 55.352 56.287 0.035 0.000 0.872 135 K CB 1.936 34.438 32.500 0.003 0.000 1.079 135 K HN 0.123 8.355 8.250 -0.031 0.000 0.440 136 G N -0.592 108.109 108.800 -0.164 0.000 3.042 136 G HA2 0.630 nan 3.960 nan 0.000 0.278 136 G HA3 0.630 nan 3.960 nan 0.000 0.278 136 G C -2.647 171.938 174.900 -0.526 0.000 1.371 136 G CA -1.426 43.333 45.100 -0.569 0.000 1.009 136 G HN -0.305 7.963 8.290 -0.037 0.000 0.523 137 R N -1.009 119.187 120.500 -0.506 0.000 2.409 137 R HA 0.725 nan 4.340 nan 0.000 0.313 137 R C -1.339 174.866 176.300 -0.158 0.000 0.953 137 R CA -1.199 54.792 56.100 -0.182 0.000 0.849 137 R CB 2.845 33.141 30.300 -0.007 0.000 1.171 137 R HN 0.467 8.341 8.270 -0.660 0.000 0.458 138 V N 8.428 128.333 119.914 -0.015 0.000 2.509 138 V HA 0.623 nan 4.120 nan 0.000 0.284 138 V C -1.359 174.767 176.094 0.054 0.000 1.047 138 V CA -0.806 61.560 62.300 0.111 0.000 0.952 138 V CB 1.037 32.995 31.823 0.226 0.000 0.988 138 V HN 0.378 8.569 8.190 0.003 0.000 0.469 139 T N 1.737 116.318 114.554 0.046 0.000 2.916 139 T HA 0.814 nan 4.350 nan 0.000 0.292 139 T C -0.765 173.910 174.700 -0.042 0.000 1.064 139 T CA -2.655 59.419 62.100 -0.043 0.000 1.011 139 T CB 3.324 72.117 68.868 -0.125 0.000 1.152 139 T HN -0.086 8.208 8.240 0.090 0.000 0.510 140 G N 0.431 109.139 108.800 -0.152 0.000 2.320 140 G HA2 0.259 nan 3.960 nan 0.000 0.296 140 G HA3 0.259 nan 3.960 nan 0.000 0.296 140 G C -2.208 172.593 174.900 -0.165 0.000 1.306 140 G CA 0.519 45.557 45.100 -0.103 0.000 0.836 140 G HN -0.012 8.142 8.290 -0.227 0.000 0.517 141 W N 0.020 121.324 121.300 0.005 0.000 2.998 141 W HA 0.387 nan 4.660 nan 0.000 0.336 141 W C 0.255 176.763 176.519 -0.017 0.000 1.112 141 W CA -0.199 57.136 57.345 -0.017 0.000 1.682 141 W CB 1.551 30.989 29.460 -0.037 0.000 1.065 141 W HN 0.534 8.906 8.180 0.321 0.000 0.570 142 G N -1.671 107.235 108.800 0.176 0.000 2.744 142 G HA2 -0.255 nan 3.960 nan 0.000 0.257 142 G HA3 -0.255 nan 3.960 nan 0.000 0.257 142 G C -0.340 174.611 174.900 0.084 0.000 1.244 142 G CA -0.324 44.840 45.100 0.107 0.000 0.916 142 G HN -0.728 7.802 8.290 0.175 -0.135 0.564 143 N N -0.043 118.694 118.700 0.062 0.000 2.395 143 N HA -0.195 nan 4.740 nan 0.000 0.246 143 N C 0.080 175.622 175.510 0.053 0.000 1.246 143 N CA 0.973 54.054 53.050 0.052 0.000 0.879 143 N CB 0.188 38.699 38.487 0.040 0.000 1.098 143 N HN -0.345 8.068 8.380 0.055 0.000 0.444 144 R N 1.295 121.824 120.500 0.048 0.000 2.297 144 R HA -0.043 nan 4.340 nan 0.000 0.197 144 R C -1.166 175.160 176.300 0.044 0.000 0.943 144 R CA 1.664 57.791 56.100 0.045 0.000 1.038 144 R CB 1.072 31.396 30.300 0.039 0.000 0.957 144 R HN 0.222 8.520 8.270 0.047 0.000 0.484 145 R N -4.689 115.838 120.500 0.045 0.000 2.764 145 R HA 0.210 nan 4.340 nan 0.000 0.270 145 R C -1.286 175.044 176.300 0.050 0.000 1.014 145 R CA -2.046 54.081 56.100 0.045 0.000 0.904 145 R CB 1.880 32.206 30.300 0.042 0.000 1.236 145 R HN -0.757 7.498 8.270 0.045 0.041 0.466 146 E N 0.701 120.934 120.200 0.054 0.000 2.436 146 E HA -0.150 nan 4.350 nan 0.000 0.262 146 E C -0.637 176.009 176.600 0.077 0.000 1.063 146 E CA 1.521 57.961 56.400 0.066 0.000 0.944 146 E CB 0.379 30.120 29.700 0.070 0.000 0.950 146 E HN 0.257 8.648 8.360 0.050 0.000 0.444 147 T N 0.209 114.822 114.554 0.099 0.000 2.787 147 T HA 0.154 nan 4.350 nan 0.000 0.297 147 T C -0.755 174.079 174.700 0.223 0.000 1.221 147 T CA -0.590 61.581 62.100 0.119 0.000 1.006 147 T CB 1.523 70.430 68.868 0.065 0.000 1.328 147 T HN 0.246 8.550 8.240 0.105 0.000 0.509 148 W N 3.594 124.902 121.300 0.013 0.000 3.220 148 W HA 0.094 nan 4.660 nan 0.000 0.328 148 W C -0.761 175.766 176.519 0.013 0.000 1.205 148 W CA 0.279 57.632 57.345 0.012 0.000 1.773 148 W CB 0.648 30.114 29.460 0.010 0.000 1.086 148 W HN 0.528 8.888 8.180 0.299 0.000 0.622 149 E N -4.138 116.075 120.200 0.021 0.000 4.391 149 E HA -0.234 nan 4.350 nan 0.000 0.406 149 E C -1.967 174.649 176.600 0.026 0.000 0.551 149 E CA 0.429 56.843 56.400 0.023 0.000 1.535 149 E CB -1.070 28.646 29.700 0.028 0.000 1.941 149 E HN -0.246 8.130 8.360 0.027 0.000 0.312 150 V N -0.199 119.732 119.914 0.028 0.000 2.993 150 V HA 0.240 nan 4.120 nan 0.000 0.377 150 V C -1.164 174.955 176.094 0.042 0.000 1.318 150 V CA -1.503 60.817 62.300 0.034 0.000 1.312 150 V CB -1.993 29.852 31.823 0.036 0.000 1.342 150 V HN 0.021 8.225 8.190 0.023 0.000 0.544 151 Q N 1.436 121.262 119.800 0.043 0.000 2.325 151 Q HA 0.540 nan 4.340 nan 0.000 0.262 151 Q C -2.093 173.951 176.000 0.073 0.000 0.968 151 Q CA -3.966 51.872 55.803 0.058 0.000 0.877 151 Q CB 0.135 28.899 28.738 0.044 0.000 1.253 151 Q HN -0.561 7.683 8.270 0.037 0.048 0.448 152 P HA 0.185 nan 4.420 nan 0.000 0.275 152 P C 0.288 177.667 177.300 0.133 0.000 1.227 152 P CA -0.352 62.808 63.100 0.100 0.000 0.781 152 P CB 0.894 32.645 31.700 0.085 0.000 0.906 153 S N 1.373 117.123 115.700 0.083 0.000 2.423 153 S HA -0.240 nan 4.470 nan 0.000 0.231 153 S C -0.503 174.157 174.600 0.101 0.000 1.014 153 S CA 2.157 60.403 58.200 0.076 0.000 0.965 153 S CB 0.382 63.607 63.200 0.041 0.000 0.785 153 S HN 0.484 8.829 8.310 0.058 0.000 0.495 154 V N -0.908 119.045 119.914 0.065 0.000 3.078 154 V HA 0.368 nan 4.120 nan 0.000 0.311 154 V C -1.354 174.622 176.094 -0.196 0.000 1.138 154 V CA -1.943 60.301 62.300 -0.093 0.000 1.007 154 V CB 3.970 35.660 31.823 -0.222 0.000 1.045 154 V HN -0.887 7.295 8.190 0.054 0.040 0.432 155 L N 5.724 126.657 121.223 -0.484 0.000 2.513 155 L HA 0.055 nan 4.340 nan 0.000 0.272 155 L C -1.231 175.378 176.870 -0.435 0.000 1.187 155 L CA 0.827 55.148 54.840 -0.866 0.000 0.895 155 L CB 0.761 42.264 42.059 -0.927 0.000 1.147 155 L HN 0.353 8.235 8.230 -0.581 0.000 0.483 156 Q N 5.279 124.843 119.800 -0.393 0.000 2.243 156 Q HA 0.514 nan 4.340 nan 0.000 0.252 156 Q C -0.604 175.304 176.000 -0.153 0.000 0.909 156 Q CA -1.340 54.349 55.803 -0.190 0.000 0.922 156 Q CB 1.073 29.744 28.738 -0.113 0.000 1.215 156 Q HN -0.149 7.801 8.270 -0.533 0.000 0.427 157 V N 0.102 119.965 119.914 -0.085 0.000 2.581 157 V HA 0.772 nan 4.120 nan 0.000 0.303 157 V C -1.853 174.243 176.094 0.004 0.000 1.041 157 V CA -2.107 60.165 62.300 -0.046 0.000 0.907 157 V CB 1.331 33.131 31.823 -0.038 0.000 0.994 157 V HN 0.738 8.887 8.190 -0.069 0.000 0.442 158 V N 3.878 123.812 119.914 0.033 0.000 2.760 158 V HA 0.355 nan 4.120 nan 0.000 0.309 158 V C -2.695 173.445 176.094 0.076 0.000 1.077 158 V CA -1.170 61.176 62.300 0.076 0.000 0.910 158 V CB 4.148 36.038 31.823 0.112 0.000 1.008 158 V HN 0.030 8.235 8.190 0.025 0.000 0.424 159 N N 6.434 125.191 118.700 0.095 0.000 2.421 159 N HA 0.777 nan 4.740 nan 0.000 0.285 159 N C -1.611 173.962 175.510 0.106 0.000 1.027 159 N CA 0.154 53.251 53.050 0.079 0.000 0.918 159 N CB 1.534 40.068 38.487 0.077 0.000 1.152 159 N HN 0.187 8.635 8.380 0.112 0.000 0.485 160 L N 1.600 122.854 121.223 0.052 0.000 2.516 160 L HA 0.443 nan 4.340 nan 0.000 0.267 160 L C -2.389 174.471 176.870 -0.017 0.000 0.957 160 L CA -2.813 52.012 54.840 -0.026 0.000 0.860 160 L CB 3.799 45.916 42.059 0.096 0.000 1.265 160 L HN 0.525 8.772 8.230 0.028 0.000 0.403 161 P HA 0.153 nan 4.420 nan 0.000 0.271 161 P C -0.829 176.455 177.300 -0.026 0.000 1.216 161 P CA -0.506 62.550 63.100 -0.074 0.000 0.771 161 P CB 0.412 32.017 31.700 -0.158 0.000 0.864 162 L N 2.673 123.913 121.223 0.028 0.000 2.559 162 L HA -0.095 nan 4.340 nan 0.000 0.282 162 L C 0.031 176.828 176.870 -0.122 0.000 1.232 162 L CA 1.227 56.029 54.840 -0.065 0.000 0.885 162 L CB -0.145 41.851 42.059 -0.106 0.000 1.131 162 L HN 0.539 8.725 8.230 0.095 0.101 0.498 163 V N 2.178 121.978 119.914 -0.190 0.000 2.769 163 V HA 0.219 nan 4.120 nan 0.000 0.312 163 V C -1.523 174.428 176.094 -0.237 0.000 1.058 163 V CA -1.768 60.372 62.300 -0.267 0.000 0.952 163 V CB 1.534 33.050 31.823 -0.510 0.000 1.019 163 V HN -0.030 8.049 8.190 -0.184 0.000 0.445 164 E N 2.161 122.238 120.200 -0.206 0.000 2.331 164 E HA 0.073 nan 4.350 nan 0.000 0.272 164 E C 0.441 176.955 176.600 -0.144 0.000 1.036 164 E CA -0.549 55.761 56.400 -0.149 0.000 0.864 164 E CB 0.722 30.358 29.700 -0.107 0.000 1.035 164 E HN -0.076 8.150 8.360 -0.223 0.000 0.408 165 R N 4.673 125.113 120.500 -0.100 0.000 2.113 165 R HA -0.276 nan 4.340 nan 0.000 0.244 165 R C -0.600 175.682 176.300 -0.029 0.000 1.142 165 R CA 5.191 61.256 56.100 -0.057 0.000 0.953 165 R CB -1.625 28.662 30.300 -0.022 0.000 0.860 165 R HN 0.728 8.941 8.270 -0.095 0.000 0.438 166 P HA -0.101 nan 4.420 nan 0.000 0.226 166 P C 1.129 178.427 177.300 -0.003 0.000 1.153 166 P CA 2.391 65.490 63.100 -0.001 0.000 0.777 166 P CB -0.662 31.035 31.700 -0.004 0.000 0.794 167 V N -2.282 117.603 119.914 -0.049 0.000 2.426 167 V HA -0.136 nan 4.120 nan 0.000 0.242 167 V C 1.032 177.086 176.094 -0.067 0.000 1.036 167 V CA 2.836 65.100 62.300 -0.060 0.000 1.044 167 V CB -0.531 31.227 31.823 -0.108 0.000 0.688 167 V HN -0.034 7.977 8.190 -0.078 0.133 0.462 168 c N 1.795 120.303 118.600 -0.154 0.000 2.363 168 c HA -0.502 nan 4.570 nan 0.000 0.274 168 c C 2.165 176.381 174.090 0.210 0.000 1.183 168 c CA 4.249 60.546 56.329 -0.053 0.000 1.771 168 c CB -2.438 39.971 42.510 -0.168 0.000 2.059 168 c HN -0.204 7.893 8.230 -0.222 0.000 0.455 169 K N -0.453 120.035 120.400 0.145 0.000 2.034 169 K HA -0.391 nan 4.320 nan 0.000 0.214 169 K C 2.073 178.761 176.600 0.147 0.000 1.051 169 K CA 3.253 59.633 56.287 0.153 0.000 0.931 169 K CB -0.382 32.172 32.500 0.091 0.000 0.715 169 K HN 0.426 8.724 8.250 0.079 0.000 0.446 170 A N -2.790 120.101 122.820 0.118 0.000 2.251 170 A HA 0.132 nan 4.320 nan 0.000 0.209 170 A C 1.287 178.957 177.584 0.142 0.000 1.187 170 A CA 1.795 53.897 52.037 0.107 0.000 0.823 170 A CB -0.832 18.214 19.000 0.077 0.000 0.846 170 A HN -0.627 7.484 8.150 0.096 0.098 0.486 171 S N -2.470 113.355 115.700 0.208 0.000 2.547 171 S HA -0.115 nan 4.470 nan 0.000 0.235 171 S C -0.408 174.318 174.600 0.209 0.000 0.980 171 S CA 1.862 60.216 58.200 0.256 0.000 0.941 171 S CB 0.513 63.968 63.200 0.425 0.000 0.763 171 S HN -0.217 8.076 8.310 0.216 0.146 0.532 172 T N -0.974 113.688 114.554 0.179 0.000 2.840 172 T HA 0.204 nan 4.350 nan 0.000 0.317 172 T C -0.916 173.845 174.700 0.103 0.000 1.401 172 T CA -0.818 61.375 62.100 0.156 0.000 1.028 172 T CB 1.996 70.990 68.868 0.210 0.000 1.317 172 T HN -0.840 7.422 8.240 0.161 0.075 0.495 173 R N 2.121 122.662 120.500 0.068 0.000 2.254 173 R HA 0.182 nan 4.340 nan 0.000 0.195 173 R C 0.664 176.967 176.300 0.005 0.000 0.957 173 R CA 0.250 56.369 56.100 0.031 0.000 1.024 173 R CB 0.769 31.077 30.300 0.014 0.000 0.952 173 R HN 0.416 8.729 8.270 0.071 0.000 0.484 174 I N 0.792 121.360 120.570 -0.003 0.000 2.648 174 I HA -0.188 nan 4.170 nan 0.000 0.284 174 I C -0.294 175.806 176.117 -0.030 0.000 1.153 174 I CA -0.089 61.164 61.300 -0.078 0.000 1.426 174 I CB 0.578 38.454 38.000 -0.207 0.000 1.381 174 I HN -0.731 7.465 8.210 0.040 0.038 0.571 175 R N 6.721 127.182 120.500 -0.066 0.000 2.446 175 R HA -0.105 nan 4.340 nan 0.000 0.314 175 R C -0.852 175.456 176.300 0.013 0.000 1.003 175 R CA 0.453 56.537 56.100 -0.026 0.000 1.018 175 R CB -0.292 29.974 30.300 -0.056 0.000 0.945 175 R HN 0.163 8.367 8.270 -0.110 0.000 0.419 176 I N 5.349 125.969 120.570 0.083 0.000 2.577 176 I HA 0.065 nan 4.170 nan 0.000 0.300 176 I C -0.558 175.627 176.117 0.115 0.000 0.990 176 I CA -1.542 59.850 61.300 0.153 0.000 1.283 176 I CB 1.037 39.187 38.000 0.249 0.000 1.411 176 I HN 0.016 8.277 8.210 0.085 0.000 0.515 177 T N -2.727 111.909 114.554 0.137 0.000 2.883 177 T HA 0.259 nan 4.350 nan 0.000 0.296 177 T C 0.040 174.825 174.700 0.141 0.000 1.117 177 T CA -1.800 60.362 62.100 0.103 0.000 1.006 177 T CB 3.398 72.305 68.868 0.065 0.000 1.191 177 T HN -0.264 8.090 8.240 0.190 0.000 0.508 178 D N 0.605 121.082 120.400 0.129 0.000 2.378 178 D HA -0.044 nan 4.640 nan 0.000 0.227 178 D C 0.543 176.994 176.300 0.251 0.000 1.012 178 D CA 2.081 56.186 54.000 0.174 0.000 0.905 178 D CB -0.390 40.499 40.800 0.149 0.000 0.895 178 D HN 0.334 8.763 8.370 0.098 0.000 0.532 179 N N -1.919 116.903 118.700 0.204 0.000 2.412 179 N HA -0.006 nan 4.740 nan 0.000 0.184 179 N C -1.300 174.381 175.510 0.285 0.000 1.101 179 N CA 0.924 54.108 53.050 0.223 0.000 0.881 179 N CB 1.016 39.570 38.487 0.113 0.000 0.969 179 N HN -0.639 7.738 8.380 0.158 0.097 0.459 180 M N -3.090 116.670 119.600 0.268 0.000 2.572 180 M HA 0.823 nan 4.480 nan 0.000 0.299 180 M C -2.497 173.915 176.300 0.188 0.000 1.205 180 M CA -0.606 54.826 55.300 0.220 0.000 0.876 180 M CB 4.116 36.908 32.600 0.320 0.000 1.728 180 M HN -0.343 8.035 8.290 0.256 0.066 0.458 181 F N -3.729 116.204 119.950 -0.029 0.000 2.620 181 F HA 0.909 nan 4.527 nan 0.000 0.320 181 F C -2.340 173.195 175.800 -0.442 0.000 1.069 181 F CA -2.634 55.225 58.000 -0.235 0.000 0.953 181 F CB 2.896 41.676 39.000 -0.366 0.000 1.322 181 F HN 0.168 8.199 8.300 -0.448 0.000 0.479 182 c N -3.864 114.411 118.600 -0.542 0.000 2.486 182 c HA 0.985 nan 4.570 nan 0.000 0.348 182 c C -1.749 172.213 174.090 -0.214 0.000 1.203 182 c CA -4.255 51.641 56.329 -0.721 0.000 1.911 182 c CB 3.471 45.211 42.510 -1.284 0.000 2.340 182 c HN 0.013 8.010 8.230 -0.388 0.000 0.511 183 A N -1.023 121.763 122.820 -0.057 0.000 2.520 183 A HA 0.688 nan 4.320 nan 0.000 0.298 183 A C -2.404 175.285 177.584 0.175 0.000 1.051 183 A CA -0.567 51.476 52.037 0.011 0.000 0.690 183 A CB 3.122 22.076 19.000 -0.075 0.000 1.281 183 A HN -0.023 8.130 8.150 0.004 0.000 0.402 184 Y N 1.209 121.641 120.300 0.220 0.000 2.457 184 Y HA -0.286 nan 4.550 nan 0.000 0.341 184 Y C -0.237 175.816 175.900 0.255 0.000 1.240 184 Y CA 0.538 58.752 58.100 0.188 0.000 1.437 184 Y CB 1.034 39.557 38.460 0.106 0.000 1.328 184 Y HN -0.214 8.244 8.280 0.296 0.000 0.588 185 K N -0.362 120.276 120.400 0.398 0.000 2.379 185 K HA -0.005 nan 4.320 nan 0.000 0.194 185 K C 0.080 176.801 176.600 0.201 0.000 1.031 185 K CA -0.327 56.161 56.287 0.335 0.000 1.037 185 K CB 0.162 32.811 32.500 0.248 0.000 0.824 185 K HN 0.274 8.762 8.250 0.396 0.000 0.516 186 K N -1.866 118.312 120.400 -0.369 0.000 2.734 186 K HA -0.322 nan 4.320 nan 0.000 0.553 186 K C -0.259 176.045 176.600 -0.494 0.000 2.461 186 K CA 0.748 56.655 56.287 -0.633 0.000 1.892 186 K CB 0.105 31.882 32.500 -1.204 0.000 1.781 186 K HN 0.039 8.068 8.250 -0.368 0.000 0.604 187 R N -0.570 119.779 120.500 -0.251 0.000 2.950 187 R HA 0.634 nan 4.340 nan 0.000 0.253 187 R C -1.299 175.095 176.300 0.157 0.000 1.168 187 R CA -1.191 54.921 56.100 0.020 0.000 1.014 187 R CB 2.906 33.213 30.300 0.011 0.000 1.228 187 R HN 0.127 8.248 8.270 -0.249 0.000 0.487 188 G N -1.653 107.257 108.800 0.183 0.000 2.326 188 G HA2 -0.153 nan 3.960 nan 0.000 0.413 188 G HA3 -0.153 nan 3.960 nan 0.000 0.413 188 G C -3.094 171.912 174.900 0.176 0.000 1.444 188 G CA -0.313 44.887 45.100 0.167 0.000 1.002 188 G HN 0.278 8.936 8.290 0.184 -0.257 0.649 189 D N -2.233 118.257 120.400 0.151 0.000 2.884 189 D HA 0.159 nan 4.640 nan 0.000 0.255 189 D C -1.928 174.455 176.300 0.138 0.000 1.142 189 D CA -0.106 53.984 54.000 0.150 0.000 0.726 189 D CB 3.776 44.635 40.800 0.100 0.000 1.436 189 D HN -0.456 7.996 8.370 0.136 0.000 0.441 190 A N 0.494 123.407 122.820 0.155 0.000 2.327 190 A HA 0.397 nan 4.320 nan 0.000 0.255 190 A C -1.783 175.848 177.584 0.079 0.000 1.099 190 A CA -0.045 52.066 52.037 0.123 0.000 0.801 190 A CB 1.278 20.360 19.000 0.136 0.000 1.062 190 A HN 0.368 8.634 8.150 0.193 0.000 0.496 191 c N -2.476 116.168 118.600 0.073 0.000 3.221 191 c HA 0.360 nan 4.570 nan 0.000 0.371 191 c C -1.426 172.701 174.090 0.062 0.000 2.951 191 c CA -1.718 54.647 56.329 0.059 0.000 1.273 191 c CB 2.771 45.315 42.510 0.058 0.000 3.371 191 c HN 0.064 8.571 8.230 0.084 -0.227 0.457 192 E N 0.421 120.652 120.200 0.052 0.000 2.343 192 E HA 0.050 nan 4.350 nan 0.000 0.269 192 E C 0.873 177.505 176.600 0.054 0.000 1.047 192 E CA 0.519 56.947 56.400 0.047 0.000 0.874 192 E CB 0.304 30.018 29.700 0.025 0.000 1.033 192 E HN 0.529 8.918 8.360 0.048 0.000 0.409 193 G N 3.937 112.772 108.800 0.059 0.000 2.267 193 G HA2 -0.396 nan 3.960 nan 0.000 0.257 193 G HA3 -0.396 nan 3.960 nan 0.000 0.257 193 G C 0.228 175.184 174.900 0.093 0.000 0.998 193 G CA 1.394 46.526 45.100 0.054 0.000 0.620 193 G HN 0.805 9.136 8.290 0.067 0.000 0.529 194 D N 1.608 122.073 120.400 0.108 0.000 2.305 194 D HA 0.013 nan 4.640 nan 0.000 0.206 194 D C 0.317 176.708 176.300 0.151 0.000 0.974 194 D CA 1.285 55.363 54.000 0.131 0.000 0.871 194 D CB 0.497 41.371 40.800 0.124 0.000 0.947 194 D HN -0.172 8.168 8.370 0.096 0.088 0.516 195 S N -1.775 114.021 115.700 0.160 0.000 2.559 195 S HA -0.380 nan 4.470 nan 0.000 0.282 195 S C 1.130 175.842 174.600 0.186 0.000 1.336 195 S CA 1.691 60.025 58.200 0.224 0.000 1.037 195 S CB 0.093 63.523 63.200 0.383 0.000 0.853 195 S HN -0.672 7.686 8.310 0.144 0.038 0.523 196 G N 3.169 112.068 108.800 0.166 0.000 2.304 196 G HA2 -0.462 nan 3.960 nan 0.000 0.252 196 G HA3 -0.462 nan 3.960 nan 0.000 0.252 196 G C 0.082 175.075 174.900 0.156 0.000 1.014 196 G CA 0.230 45.387 45.100 0.095 0.000 0.619 196 G HN 0.717 9.050 8.290 0.231 0.096 0.525 197 G N 1.396 110.310 108.800 0.190 0.000 2.588 197 G HA2 0.332 nan 3.960 nan 0.000 0.281 197 G HA3 0.332 nan 3.960 nan 0.000 0.281 197 G C -2.976 172.077 174.900 0.255 0.000 1.236 197 G CA -1.974 43.254 45.100 0.213 0.000 0.969 197 G HN -0.486 7.834 8.290 0.190 0.084 0.504 198 P HA 0.268 nan 4.420 nan 0.000 0.280 198 P C -2.228 175.260 177.300 0.312 0.000 1.244 198 P CA -0.685 62.576 63.100 0.267 0.000 0.784 198 P CB 0.523 32.376 31.700 0.255 0.000 0.913 199 F N 5.408 125.467 119.950 0.182 0.000 2.332 199 F HA 0.438 nan 4.527 nan 0.000 0.368 199 F C -2.206 173.686 175.800 0.154 0.000 1.110 199 F CA -1.769 56.302 58.000 0.119 0.000 1.087 199 F CB 1.894 40.885 39.000 -0.016 0.000 1.235 199 F HN 0.236 8.697 8.300 0.455 0.112 0.470 200 V N 2.972 122.837 119.914 -0.081 0.000 2.732 200 V HA 0.823 nan 4.120 nan 0.000 0.310 200 V C -2.109 174.002 176.094 0.029 0.000 1.053 200 V CA -3.218 59.122 62.300 0.066 0.000 0.957 200 V CB 2.681 34.590 31.823 0.144 0.000 1.018 200 V HN 0.679 8.759 8.190 -0.183 0.000 0.452 201 M N 1.362 121.072 119.600 0.183 0.000 2.457 201 M HA 0.396 nan 4.480 nan 0.000 0.300 201 M C -1.542 174.781 176.300 0.037 0.000 1.141 201 M CA -0.333 55.017 55.300 0.083 0.000 0.901 201 M CB 4.603 37.217 32.600 0.022 0.000 1.687 201 M HN 0.816 9.253 8.290 0.246 0.000 0.449 202 K N 2.649 122.822 120.400 -0.378 0.000 2.248 202 K HA 0.182 nan 4.320 nan 0.000 0.281 202 K C -0.754 175.660 176.600 -0.309 0.000 1.054 202 K CA -0.618 55.253 56.287 -0.693 0.000 0.903 202 K CB 0.675 32.350 32.500 -1.374 0.000 1.077 202 K HN 0.306 8.340 8.250 -0.359 0.000 0.474 203 S N 6.609 122.242 115.700 -0.112 0.000 2.215 203 S HA -0.150 nan 4.470 nan 0.000 0.153 203 S C 0.126 174.663 174.600 -0.106 0.000 1.352 203 S CA 1.206 59.365 58.200 -0.068 0.000 2.310 203 S CB 0.506 63.721 63.200 0.025 0.000 0.348 203 S HN 0.884 9.202 8.310 0.014 0.000 0.354 204 N N -0.216 118.486 118.700 0.005 0.000 2.469 204 N HA -0.441 nan 4.740 nan 0.000 0.238 204 N C 0.574 176.084 175.510 0.001 0.000 1.291 204 N CA 1.247 54.308 53.050 0.019 0.000 0.782 204 N CB -2.143 36.380 38.487 0.061 0.000 1.213 204 N HN 0.478 8.865 8.380 0.011 0.000 0.585 205 N N -3.043 115.636 118.700 -0.036 0.000 2.713 205 N HA -0.465 nan 4.740 nan 0.000 0.251 205 N C -1.225 174.232 175.510 -0.088 0.000 1.117 205 N CA 1.223 54.227 53.050 -0.076 0.000 0.770 205 N CB -0.087 38.376 38.487 -0.041 0.000 1.137 205 N HN -0.047 8.306 8.380 -0.045 0.000 0.566 206 R N -2.345 118.120 120.500 -0.058 0.000 2.536 206 R HA 0.207 nan 4.340 nan 0.000 0.279 206 R C -1.195 174.992 176.300 -0.188 0.000 1.001 206 R CA -1.236 54.804 56.100 -0.100 0.000 1.027 206 R CB 1.690 31.880 30.300 -0.183 0.000 1.096 206 R HN -0.483 8.063 8.270 0.010 -0.271 0.502 207 W N -0.215 120.973 121.300 -0.188 0.000 2.316 207 W HA 0.317 nan 4.660 nan 0.000 0.311 207 W C -0.540 175.692 176.519 -0.478 0.000 1.217 207 W CA -0.415 56.799 57.345 -0.219 0.000 1.199 207 W CB 0.939 30.274 29.460 -0.208 0.000 1.202 207 W HN 0.292 8.587 8.180 0.190 0.000 0.528 208 Y N 1.455 121.790 120.300 0.058 0.000 2.446 208 Y HA 0.365 nan 4.550 nan 0.000 0.345 208 Y C -1.698 174.211 175.900 0.014 0.000 0.984 208 Y CA -1.500 56.595 58.100 -0.009 0.000 1.058 208 Y CB 3.853 42.316 38.460 0.005 0.000 1.220 208 Y HN 0.875 9.352 8.280 0.329 0.000 0.455 209 Q N 2.698 122.576 119.800 0.130 0.000 2.377 209 Q HA 0.282 nan 4.340 nan 0.000 0.249 209 Q C -0.639 175.526 176.000 0.276 0.000 1.005 209 Q CA -1.189 54.707 55.803 0.155 0.000 0.912 209 Q CB 0.798 29.588 28.738 0.086 0.000 1.223 209 Q HN 0.279 8.613 8.270 0.105 0.000 0.459 210 M N 5.732 125.551 119.600 0.365 0.000 2.501 210 M HA 0.139 nan 4.480 nan 0.000 0.261 210 M C -0.475 176.175 176.300 0.583 0.000 1.129 210 M CA -0.068 55.484 55.300 0.420 0.000 1.126 210 M CB 0.926 33.732 32.600 0.343 0.000 1.359 210 M HN 0.542 9.061 8.290 0.381 0.000 0.471 211 G N -2.897 106.270 108.800 0.610 0.000 2.619 211 G HA2 0.591 nan 3.960 nan 0.000 0.296 211 G HA3 0.591 nan 3.960 nan 0.000 0.296 211 G C -2.774 172.367 174.900 0.402 0.000 1.334 211 G CA -0.691 44.728 45.100 0.533 0.000 0.934 211 G HN -0.295 8.328 8.290 0.554 0.000 0.476 212 I N -0.291 120.468 120.570 0.316 0.000 2.433 212 I HA 0.465 nan 4.170 nan 0.000 0.292 212 I C -0.470 175.819 176.117 0.285 0.000 1.001 212 I CA -1.553 59.915 61.300 0.280 0.000 1.119 212 I CB 2.657 40.780 38.000 0.205 0.000 1.289 212 I HN -0.082 8.254 8.210 0.261 0.031 0.438 213 V N 6.545 126.640 119.914 0.302 0.000 2.434 213 V HA -0.211 nan 4.120 nan 0.000 0.281 213 V C -0.434 175.728 176.094 0.114 0.000 1.005 213 V CA 1.624 64.020 62.300 0.160 0.000 1.089 213 V CB -2.534 29.409 31.823 0.200 0.000 0.978 213 V HN 0.510 8.886 8.190 0.311 0.000 0.474 214 S N 8.693 124.361 115.700 -0.054 0.000 2.650 214 S HA 0.483 nan 4.470 nan 0.000 0.182 214 S C -0.993 173.667 174.600 0.100 0.000 0.832 214 S CA 0.115 58.403 58.200 0.146 0.000 0.860 214 S CB 1.507 64.817 63.200 0.183 0.000 0.818 214 S HN 0.158 8.246 8.310 -0.370 0.000 0.600 215 W N -1.628 119.560 121.300 -0.186 0.000 3.042 215 W HA 0.335 nan 4.660 nan 0.000 0.342 215 W C -2.794 173.650 176.519 -0.126 0.000 1.240 215 W CA -1.153 56.077 57.345 -0.191 0.000 1.166 215 W CB 2.617 31.957 29.460 -0.199 0.000 1.469 215 W HN -0.724 7.253 8.180 -0.338 0.000 0.579 216 G N -1.298 107.679 108.800 0.295 0.000 2.698 216 G HA2 0.091 nan 3.960 nan 0.000 0.293 216 G HA3 0.091 nan 3.960 nan 0.000 0.293 216 G C -1.314 173.730 174.900 0.240 0.000 1.437 216 G CA -0.704 44.478 45.100 0.137 0.000 0.852 216 G HN -0.265 8.259 8.290 0.389 0.000 0.499 220 c N 2.531 121.157 118.600 0.044 0.000 3.246 220 c HA 0.253 nan 4.570 nan 0.000 0.204 220 c C -1.334 172.776 174.090 0.033 0.000 1.879 220 c CA -0.957 55.396 56.329 0.040 0.000 1.318 220 c CB -0.472 42.067 42.510 0.048 0.000 2.288 220 c HN 0.034 8.580 8.230 0.044 -0.290 0.530 221 R N -1.501 118.990 120.500 -0.016 0.000 3.033 221 R HA 0.036 nan 4.340 nan 0.000 0.284 221 R C -2.560 173.699 176.300 -0.069 0.000 0.997 221 R CA -0.095 55.989 56.100 -0.026 0.000 0.851 221 R CB 2.144 32.434 30.300 -0.016 0.000 1.297 221 R HN -0.152 8.112 8.270 -0.010 0.000 0.518 222 D N 0.333 120.699 120.400 -0.056 0.000 2.253 222 D HA 0.086 nan 4.640 nan 0.000 0.249 222 D C 0.231 176.471 176.300 -0.101 0.000 1.049 222 D CA 0.409 54.366 54.000 -0.072 0.000 0.929 222 D CB 0.269 41.054 40.800 -0.024 0.000 1.176 222 D HN 0.143 8.493 8.370 -0.032 0.000 0.437 223 G N -2.025 106.695 108.800 -0.134 0.000 2.168 223 G HA2 -0.429 nan 3.960 nan 0.000 0.263 223 G HA3 -0.429 nan 3.960 nan 0.000 0.263 223 G C -0.909 173.861 174.900 -0.217 0.000 0.977 223 G CA 0.692 45.738 45.100 -0.090 0.000 0.659 223 G HN 0.332 8.537 8.290 -0.141 0.000 0.533 224 K N -0.544 119.565 120.400 -0.484 0.000 2.422 224 K HA 0.330 nan 4.320 nan 0.000 0.251 224 K C -1.693 174.424 176.600 -0.805 0.000 0.933 224 K CA -1.274 54.781 56.287 -0.387 0.000 0.798 224 K CB 3.137 35.550 32.500 -0.145 0.000 1.238 224 K HN -0.471 7.408 8.250 -0.580 0.023 0.428 225 Y N -0.708 119.618 120.300 0.044 0.000 2.536 225 Y HA 0.204 nan 4.550 nan 0.000 0.347 225 Y C 0.037 175.897 175.900 -0.066 0.000 1.000 225 Y CA -1.177 56.901 58.100 -0.036 0.000 1.051 225 Y CB 3.036 41.403 38.460 -0.156 0.000 1.259 225 Y HN -0.050 8.253 8.280 0.037 0.000 0.468 226 G N -0.066 108.742 108.800 0.013 0.000 2.442 226 G HA2 0.091 nan 3.960 nan 0.000 0.249 226 G HA3 0.091 nan 3.960 nan 0.000 0.249 226 G C -2.040 172.553 174.900 -0.511 0.000 1.263 226 G CA 0.029 45.012 45.100 -0.196 0.000 0.846 226 G HN 0.032 8.385 8.290 0.104 0.000 0.555 227 F N 2.588 121.906 119.950 -1.054 0.000 2.541 227 F HA 0.859 nan 4.527 nan 0.000 0.331 227 F C -0.995 174.081 175.800 -1.206 0.000 1.057 227 F CA -1.673 55.666 58.000 -1.102 0.000 0.975 227 F CB 4.201 42.344 39.000 -1.428 0.000 1.246 227 F HN 0.552 8.465 8.300 -0.645 0.000 0.484 228 Y N -2.382 117.608 120.300 -0.517 0.000 2.358 228 Y HA 0.122 nan 4.550 nan 0.000 0.324 228 Y C -1.105 174.482 175.900 -0.522 0.000 1.123 228 Y CA -0.697 56.998 58.100 -0.675 0.000 1.067 228 Y CB 3.371 40.958 38.460 -1.455 0.000 1.230 228 Y HN 0.125 8.169 8.280 -0.394 0.000 0.429 229 T N 8.479 123.028 114.554 -0.009 0.000 2.829 229 T HA -0.130 nan 4.350 nan 0.000 0.293 229 T C -0.237 174.621 174.700 0.263 0.000 0.970 229 T CA 1.454 63.632 62.100 0.131 0.000 1.168 229 T CB -0.186 68.779 68.868 0.162 0.000 0.911 229 T HN 0.596 8.866 8.240 0.051 0.000 0.535 230 H N 9.117 128.319 119.070 0.221 0.000 3.224 230 H HA -0.016 nan 4.556 nan 0.000 0.265 230 H C 0.909 176.413 175.328 0.294 0.000 1.461 230 H CA -1.653 54.631 56.048 0.392 0.000 1.509 230 H CB -0.970 29.002 29.762 0.350 0.000 1.686 230 H HN 0.537 8.934 8.280 0.356 0.097 0.514 231 V N 7.125 127.293 119.914 0.424 0.000 2.324 231 V HA -0.468 nan 4.120 nan 0.000 0.250 231 V C 1.631 177.799 176.094 0.123 0.000 1.060 231 V CA 4.343 66.795 62.300 0.255 0.000 1.042 231 V CB -0.768 31.217 31.823 0.270 0.000 0.650 231 V HN -0.165 8.350 8.190 0.542 0.000 0.450 232 F N 0.087 120.020 119.950 -0.029 0.000 2.134 232 F HA -0.315 nan 4.527 nan 0.000 0.299 232 F C 1.620 177.316 175.800 -0.173 0.000 1.097 232 F CA 3.106 61.042 58.000 -0.107 0.000 1.264 232 F CB 0.029 38.947 39.000 -0.136 0.000 1.001 232 F HN -0.391 8.084 8.300 0.291 0.000 0.479 233 R N -0.855 119.401 120.500 -0.407 0.000 2.115 233 R HA -0.237 nan 4.340 nan 0.000 0.230 233 R C 1.666 177.843 176.300 -0.205 0.000 1.111 233 R CA 2.929 58.834 56.100 -0.325 0.000 0.976 233 R CB -0.206 29.951 30.300 -0.238 0.000 0.870 233 R HN -0.520 7.413 8.270 -0.538 0.015 0.445 234 L N -2.571 118.595 121.223 -0.095 0.000 2.653 234 L HA 0.077 nan 4.340 nan 0.000 0.232 234 L C 0.316 177.220 176.870 0.057 0.000 1.169 234 L CA -0.458 54.410 54.840 0.047 0.000 0.951 234 L CB -0.990 41.141 42.059 0.120 0.000 1.181 234 L HN -0.609 7.454 8.230 -0.082 0.118 0.460 235 K N 1.423 121.740 120.400 -0.138 0.000 2.097 235 K HA -0.399 nan 4.320 nan 0.000 0.206 235 K C 1.346 177.878 176.600 -0.114 0.000 1.049 235 K CA 3.639 59.827 56.287 -0.164 0.000 0.933 235 K CB -0.325 31.956 32.500 -0.364 0.000 0.717 235 K HN 0.175 8.043 8.250 -0.287 0.209 0.442 236 K N -1.746 118.594 120.400 -0.100 0.000 2.059 236 K HA -0.411 nan 4.320 nan 0.000 0.212 236 K C 2.067 178.687 176.600 0.033 0.000 1.050 236 K CA 3.343 59.610 56.287 -0.033 0.000 0.927 236 K CB -0.454 32.048 32.500 0.002 0.000 0.714 236 K HN -0.595 7.560 8.250 -0.159 0.000 0.447 237 W N -0.253 121.014 121.300 -0.054 0.000 2.381 237 W HA -0.286 nan 4.660 nan 0.000 0.301 237 W C 1.710 178.164 176.519 -0.109 0.000 1.205 237 W CA 3.710 61.022 57.345 -0.056 0.000 1.285 237 W CB 0.086 29.573 29.460 0.045 0.000 1.133 237 W HN -0.659 7.581 8.180 0.282 0.109 0.521 238 I N -1.031 119.483 120.570 -0.092 0.000 2.127 238 I HA -0.751 nan 4.170 nan 0.000 0.241 238 I C 1.883 177.708 176.117 -0.487 0.000 1.075 238 I CA 4.226 65.318 61.300 -0.347 0.000 1.334 238 I CB -0.110 37.828 38.000 -0.104 0.000 1.040 238 I HN -0.401 7.890 8.210 0.135 0.000 0.405 239 Q N -2.359 117.252 119.800 -0.316 0.000 2.226 239 Q HA -0.377 nan 4.340 nan 0.000 0.204 239 Q C 2.147 177.948 176.000 -0.332 0.000 0.975 239 Q CA 2.674 58.297 55.803 -0.300 0.000 0.866 239 Q CB -0.657 27.966 28.738 -0.191 0.000 0.915 239 Q HN -0.345 7.795 8.270 -0.217 0.000 0.440 240 K N 1.144 121.336 120.400 -0.347 0.000 1.980 240 K HA -0.388 nan 4.320 nan 0.000 0.223 240 K C 2.750 179.087 176.600 -0.440 0.000 1.052 240 K CA 3.419 59.498 56.287 -0.346 0.000 0.974 240 K CB 0.049 32.361 32.500 -0.314 0.000 0.734 240 K HN -0.530 7.478 8.250 -0.296 0.065 0.447 241 V N -5.330 114.171 119.914 -0.688 0.000 2.515 241 V HA -0.242 nan 4.120 nan 0.000 0.250 241 V C 2.173 177.839 176.094 -0.713 0.000 1.058 241 V CA 2.896 64.747 62.300 -0.748 0.000 1.064 241 V CB -0.905 30.285 31.823 -1.056 0.000 0.675 241 V HN -0.450 7.221 8.190 -0.865 0.000 0.461 242 I N 0.260 120.361 120.570 -0.782 0.000 2.315 242 I HA -0.443 nan 4.170 nan 0.000 0.248 242 I C 1.788 177.713 176.117 -0.321 0.000 1.117 242 I CA 3.726 64.576 61.300 -0.750 0.000 1.404 242 I CB -0.231 37.204 38.000 -0.942 0.000 1.071 242 I HN -0.273 7.449 8.210 -0.785 0.017 0.419 243 D N -3.368 116.865 120.400 -0.278 0.000 2.328 243 D HA 0.136 nan 4.640 nan 0.000 0.221 243 D C 0.109 176.335 176.300 -0.123 0.000 1.072 243 D CA 0.953 54.861 54.000 -0.154 0.000 0.850 243 D CB 0.214 40.930 40.800 -0.140 0.000 0.922 243 D HN -0.401 7.768 8.370 -0.335 0.000 0.516 244 R N -4.840 115.562 120.500 -0.163 0.000 1.633 244 R HA -0.359 nan 4.340 nan 0.000 0.095 244 R C -0.860 175.359 176.300 -0.135 0.000 0.926 244 R CA 2.366 58.388 56.100 -0.129 0.000 1.938 244 R CB -1.118 29.149 30.300 -0.054 0.000 0.482 244 R HN -0.222 7.686 8.270 -0.239 0.219 0.704 245 L N -2.388 118.767 121.223 -0.113 0.000 2.376 245 L HA 0.333 nan 4.340 nan 0.000 0.258 245 L C -0.764 176.040 176.870 -0.110 0.000 1.013 245 L CA 0.014 54.792 54.840 -0.103 0.000 0.822 245 L CB 2.649 44.672 42.059 -0.060 0.000 1.388 245 L HN -0.653 7.442 8.230 -0.098 0.076 0.413 246 G N -0.481 108.256 108.800 -0.106 0.000 3.302 246 G HA2 -0.132 nan 3.960 nan 0.000 0.216 246 G HA3 -0.132 nan 3.960 nan 0.000 0.216 246 G C -1.632 173.190 174.900 -0.130 0.000 1.008 246 G CA 0.413 45.430 45.100 -0.138 0.000 0.852 246 G HN 0.494 8.735 8.290 -0.082 0.000 0.485 247 S N 0.000 115.635 115.700 -0.109 0.000 2.498 247 S HA 0.000 nan 4.470 nan 0.000 0.327 247 S CA 0.000 58.163 58.200 -0.062 0.000 1.107 247 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 247 S HN 0.000 8.238 8.310 -0.120 0.000 0.517