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 2af6_1_F DATA FIRST_RESID 3 DATA SEQUENCE ETAPLRVQLI AKTDFLAPPD VPWTTDADGG PALVEFAGRA CYQSWSKPNP DATA SEQUENCE KTATNAGYLR HIXDVGHFSV LEHASVSFYI TGISRSCTHE LIRHRHFSYS DATA SEQUENCE QLSQRYVPEK DSRVVVPPGX EDDADLRHIL TEAADAARAT YSELLAKLEA DATA SEQUENCE KFADQPNAIL RRKQARQAAR AVXPNATETR IVVTGNYRAW RHFIAXRASE DATA SEQUENCE HADVEIRRLA IECLRQLAAV APAVFADFEV TTLADGTEVA TS 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.597 176.600 -0.006 0.000 1.382 3 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 3 E CB 0.000 29.701 29.700 0.001 0.000 0.812 4 T N -0.063 114.489 114.554 -0.003 0.000 2.799 4 T HA 0.799 5.149 4.350 0.000 0.000 0.286 4 T C 0.066 174.760 174.700 -0.010 0.000 0.973 4 T CA -0.133 61.963 62.100 -0.006 0.000 1.035 4 T CB 1.690 70.557 68.868 -0.002 0.000 0.932 4 T HN 0.262 nan 8.240 nan 0.000 0.469 5 A N 5.261 128.072 122.820 -0.016 0.000 2.309 5 A HA 0.743 5.064 4.320 0.000 0.000 0.298 5 A C -2.194 175.376 177.584 -0.024 0.000 1.165 5 A CA -1.665 50.360 52.037 -0.021 0.000 0.821 5 A CB 0.083 19.067 19.000 -0.027 0.000 1.102 5 A HN 0.805 nan 8.150 nan 0.000 0.500 6 P HA 0.374 nan 4.420 nan 0.000 0.287 6 P C -0.569 176.706 177.300 -0.041 0.000 1.270 6 P CA -0.714 62.369 63.100 -0.029 0.000 0.844 6 P CB 1.084 32.769 31.700 -0.024 0.000 1.068 7 L N 2.593 123.790 121.223 -0.043 0.000 2.559 7 L HA 0.154 4.495 4.340 0.000 0.000 0.274 7 L C 0.346 177.177 176.870 -0.065 0.000 1.205 7 L CA 0.856 55.662 54.840 -0.057 0.000 0.907 7 L CB -0.471 41.557 42.059 -0.053 0.000 1.153 7 L HN 0.423 nan 8.230 nan 0.000 0.490 8 R N 3.838 124.287 120.500 -0.085 0.000 2.575 8 R HA 0.684 5.024 4.340 0.000 0.000 0.293 8 R C -1.885 174.352 176.300 -0.106 0.000 0.983 8 R CA -0.756 55.294 56.100 -0.082 0.000 0.887 8 R CB 1.756 32.016 30.300 -0.066 0.000 1.184 8 R HN 0.525 nan 8.270 nan 0.000 0.445 9 V N 4.958 124.816 119.914 -0.093 0.000 2.350 9 V HA 0.320 4.440 4.120 0.000 0.000 0.285 9 V C -0.647 175.455 176.094 0.012 0.000 1.014 9 V CA -0.655 61.582 62.300 -0.104 0.000 0.831 9 V CB 1.596 33.261 31.823 -0.263 0.000 1.000 9 V HN 0.752 nan 8.190 nan 0.000 0.433 10 Q N 4.114 123.990 119.800 0.127 0.000 2.322 10 Q HA 0.542 4.882 4.340 0.000 0.000 0.265 10 Q C -0.713 175.470 176.000 0.305 0.000 0.985 10 Q CA -0.709 55.205 55.803 0.184 0.000 0.849 10 Q CB 3.058 31.897 28.738 0.167 0.000 1.274 10 Q HN 0.665 nan 8.270 nan 0.000 0.449 11 L N 4.926 126.297 121.223 0.247 0.000 2.369 11 L HA 0.163 4.503 4.340 0.000 0.000 0.279 11 L C 0.564 177.415 176.870 -0.030 0.000 1.108 11 L CA 0.292 55.145 54.840 0.021 0.000 0.852 11 L CB 0.292 42.322 42.059 -0.049 0.000 1.169 11 L HN 0.797 nan 8.230 nan 0.000 0.452 12 I N 2.140 122.662 120.570 -0.081 0.000 4.288 12 I HA 0.608 4.778 4.170 0.000 0.000 0.331 12 I C 0.316 176.398 176.117 -0.057 0.000 1.322 12 I CA -0.078 61.204 61.300 -0.030 0.000 1.149 12 I CB 0.498 38.510 38.000 0.018 0.000 1.112 12 I HN 0.529 nan 8.210 nan 0.000 0.403 13 A N 1.802 124.557 122.820 -0.108 0.000 2.604 13 A HA 0.791 5.111 4.320 0.000 0.000 0.295 13 A C -0.859 176.677 177.584 -0.081 0.000 1.067 13 A CA -0.576 51.419 52.037 -0.070 0.000 0.683 13 A CB 1.622 20.599 19.000 -0.038 0.000 1.281 13 A HN 0.345 nan 8.150 nan 0.000 0.407 14 K N -0.513 119.872 120.400 -0.025 0.000 2.454 14 K HA 0.727 5.047 4.320 0.000 0.000 0.279 14 K C -1.202 175.421 176.600 0.039 0.000 1.020 14 K CA -0.708 55.586 56.287 0.011 0.000 0.850 14 K CB 1.006 33.521 32.500 0.024 0.000 1.529 14 K HN 0.434 nan 8.250 nan 0.000 0.390 15 T N 1.261 115.853 114.554 0.064 0.000 2.795 15 T HA 0.213 4.563 4.350 0.000 0.000 0.282 15 T C -1.213 173.549 174.700 0.103 0.000 0.980 15 T CA -0.167 61.976 62.100 0.073 0.000 1.012 15 T CB 1.002 69.902 68.868 0.053 0.000 0.936 15 T HN 0.556 nan 8.240 nan 0.000 0.457 16 D N 1.780 122.241 120.400 0.102 0.000 2.192 16 D HA 0.487 5.127 4.640 0.000 0.000 0.246 16 D C -1.242 175.164 176.300 0.175 0.000 1.042 16 D CA -0.657 53.412 54.000 0.115 0.000 0.847 16 D CB 0.692 41.529 40.800 0.061 0.000 1.186 16 D HN 0.313 nan 8.370 nan 0.000 0.461 17 F N 3.934 123.894 119.950 0.016 0.000 2.540 17 F HA 0.612 5.139 4.527 0.000 0.000 0.317 17 F C -2.157 173.633 175.800 -0.017 0.000 1.104 17 F CA -1.179 56.823 58.000 0.003 0.000 0.913 17 F CB 1.542 40.567 39.000 0.040 0.000 1.170 17 F HN 0.330 nan 8.300 nan 0.000 0.450 18 L N 5.718 126.380 121.223 -0.935 0.000 2.406 18 L HA 0.770 5.110 4.340 0.000 0.000 0.270 18 L C -0.715 175.443 176.870 -1.186 0.000 0.982 18 L CA -0.409 53.933 54.840 -0.830 0.000 0.843 18 L CB 1.214 43.032 42.059 -0.401 0.000 1.225 18 L HN 0.821 nan 8.230 nan 0.000 0.412 19 A N 6.766 128.947 122.820 -1.064 0.000 2.511 19 A HA 0.521 4.841 4.320 0.000 0.000 0.242 19 A C -2.233 175.109 177.584 -0.404 0.000 1.069 19 A CA -0.712 50.951 52.037 -0.624 0.000 0.763 19 A CB -0.719 18.307 19.000 0.044 0.000 1.001 19 A HN 0.574 nan 8.150 nan 0.000 0.498 20 P HA 0.194 nan 4.420 nan 0.000 0.271 20 P C -2.244 174.976 177.300 -0.133 0.000 1.220 20 P CA -1.239 61.724 63.100 -0.228 0.000 0.768 20 P CB 0.435 32.024 31.700 -0.184 0.000 0.848 21 P HA -0.152 nan 4.420 nan 0.000 0.218 21 P C 0.915 178.174 177.300 -0.070 0.000 1.148 21 P CA 1.410 64.461 63.100 -0.081 0.000 0.822 21 P CB -0.107 31.549 31.700 -0.072 0.000 0.784 22 D N -1.084 119.274 120.400 -0.071 0.000 2.363 22 D HA -0.024 4.616 4.640 0.000 0.000 0.226 22 D C 0.136 176.367 176.300 -0.114 0.000 1.020 22 D CA 0.254 54.214 54.000 -0.066 0.000 0.892 22 D CB -0.429 40.346 40.800 -0.042 0.000 0.900 22 D HN 0.019 nan 8.370 nan 0.000 0.531 23 V N 2.591 122.406 119.914 -0.166 0.000 2.370 23 V HA 0.246 4.366 4.120 0.000 0.000 0.279 23 V C -2.026 173.910 176.094 -0.263 0.000 1.029 23 V CA -1.465 60.606 62.300 -0.383 0.000 0.870 23 V CB 1.766 33.260 31.823 -0.548 0.000 0.984 23 V HN 0.009 nan 8.190 nan 0.000 0.451 24 P HA 0.149 nan 4.420 nan 0.000 0.230 24 P C -0.902 176.481 177.300 0.138 0.000 1.791 24 P CA 0.115 63.193 63.100 -0.036 0.000 1.020 24 P CB -0.292 31.417 31.700 0.016 0.000 1.977 25 W N 2.237 123.488 121.300 -0.081 0.000 3.479 25 W HA 0.482 5.143 4.660 0.000 0.000 0.304 25 W C -1.486 175.066 176.519 0.056 0.000 1.243 25 W CA -0.140 57.236 57.345 0.052 0.000 1.202 25 W CB 1.611 31.166 29.460 0.158 0.000 1.346 25 W HN 0.100 nan 8.180 nan 0.000 0.539 26 T N 1.219 115.266 114.554 -0.845 0.000 2.864 26 T HA 0.885 5.235 4.350 0.000 0.000 0.299 26 T C -0.553 173.401 174.700 -1.242 0.000 1.166 26 T CA -0.311 61.170 62.100 -1.032 0.000 1.007 26 T CB 1.728 70.341 68.868 -0.426 0.000 1.219 26 T HN 0.702 nan 8.240 nan 0.000 0.506 27 T N -1.313 112.717 114.554 -0.873 0.000 2.838 27 T HA 0.567 4.917 4.350 0.000 0.000 0.292 27 T C -0.828 173.765 174.700 -0.179 0.000 1.113 27 T CA -0.782 61.075 62.100 -0.404 0.000 1.008 27 T CB 1.530 70.297 68.868 -0.168 0.000 1.259 27 T HN 0.770 nan 8.240 nan 0.000 0.520 28 D N -0.220 120.137 120.400 -0.071 0.000 3.060 28 D HA 0.507 5.147 4.640 0.000 0.000 0.245 28 D C 0.078 176.389 176.300 0.017 0.000 1.274 28 D CA -0.542 53.444 54.000 -0.023 0.000 0.864 28 D CB -0.488 40.310 40.800 -0.003 0.000 1.073 28 D HN 0.857 nan 8.370 nan 0.000 0.473 29 A N 0.535 123.370 122.820 0.026 0.000 2.586 29 A HA 0.595 4.915 4.320 0.000 0.000 0.290 29 A C -1.578 176.062 177.584 0.092 0.000 1.086 29 A CA -0.770 51.306 52.037 0.066 0.000 0.665 29 A CB 1.629 20.683 19.000 0.089 0.000 1.279 29 A HN 0.260 nan 8.150 nan 0.000 0.423 30 D N -1.103 119.367 120.400 0.116 0.000 2.801 30 D HA 0.718 5.358 4.640 0.000 0.000 0.277 30 D C 0.777 177.179 176.300 0.170 0.000 1.125 30 D CA 0.407 54.511 54.000 0.174 0.000 1.102 30 D CB 0.218 41.108 40.800 0.150 0.000 1.400 30 D HN 2.065 nan 8.370 nan 0.000 0.601 31 G N -1.001 107.931 108.800 0.219 0.000 2.574 31 G HA2 -0.150 3.810 3.960 0.000 0.000 0.282 31 G HA3 -0.150 3.810 3.960 0.000 0.000 0.282 31 G C 1.065 176.054 174.900 0.147 0.000 1.257 31 G CA 1.384 46.598 45.100 0.191 0.000 0.956 31 G HN 1.207 nan 8.290 nan 0.000 0.560 32 G N 0.563 109.460 108.800 0.161 0.000 2.491 32 G HA2 -0.011 3.949 3.960 0.000 0.000 0.218 32 G HA3 -0.011 3.949 3.960 0.000 0.000 0.218 32 G C 0.200 175.215 174.900 0.191 0.000 1.180 32 G CA 2.353 47.539 45.100 0.144 0.000 0.774 32 G HN 0.710 nan 8.290 nan 0.000 0.562 33 P HA -0.029 nan 4.420 nan 0.000 0.216 33 P C 2.160 179.530 177.300 0.116 0.000 1.150 33 P CA 1.949 65.194 63.100 0.243 0.000 0.837 33 P CB -0.152 31.674 31.700 0.210 0.000 0.786 34 A N -0.511 122.316 122.820 0.011 0.000 1.898 34 A HA -0.174 4.146 4.320 0.000 0.000 0.216 34 A C 2.123 179.386 177.584 -0.535 0.000 1.181 34 A CA 1.451 53.409 52.037 -0.131 0.000 0.620 34 A CB -1.688 17.249 19.000 -0.104 0.000 0.819 34 A HN 0.163 nan 8.150 nan 0.000 0.442 35 L N 0.160 120.918 121.223 -0.775 0.000 2.012 35 L HA -0.143 4.197 4.340 0.000 0.000 0.210 35 L C 2.348 179.128 176.870 -0.151 0.000 1.073 35 L CA 2.143 56.585 54.840 -0.664 0.000 0.748 35 L CB -0.690 41.252 42.059 -0.196 0.000 0.891 35 L HN 0.150 nan 8.230 nan 0.000 0.431 36 V N -0.038 119.876 119.914 0.001 0.000 2.343 36 V HA -0.312 3.808 4.120 0.000 0.000 0.247 36 V C 2.629 178.798 176.094 0.125 0.000 1.051 36 V CA 2.054 64.437 62.300 0.137 0.000 1.036 36 V CB -0.730 31.235 31.823 0.236 0.000 0.654 36 V HN 0.648 nan 8.190 nan 0.000 0.451 37 E N -0.298 119.955 120.200 0.090 0.000 2.051 37 E HA -0.270 4.080 4.350 0.000 0.000 0.192 37 E C 2.144 178.594 176.600 -0.250 0.000 0.991 37 E CA 1.623 58.009 56.400 -0.023 0.000 0.799 37 E CB -0.241 29.485 29.700 0.044 0.000 0.748 37 E HN 0.549 nan 8.360 nan 0.000 0.449 38 F N 1.364 121.067 119.950 -0.413 0.000 2.091 38 F HA -0.229 4.298 4.527 0.000 0.000 0.299 38 F C 2.113 177.765 175.800 -0.248 0.000 1.103 38 F CA 1.966 59.628 58.000 -0.562 0.000 1.228 38 F CB -0.594 38.189 39.000 -0.362 0.000 0.984 38 F HN 0.105 nan 8.300 nan 0.000 0.477 39 A N 0.319 123.073 122.820 -0.110 0.000 1.902 39 A HA -0.057 4.263 4.320 0.000 0.000 0.217 39 A C 2.502 180.004 177.584 -0.137 0.000 1.181 39 A CA 1.747 53.689 52.037 -0.159 0.000 0.623 39 A CB -1.840 17.091 19.000 -0.115 0.000 0.818 39 A HN 0.545 nan 8.150 nan 0.000 0.443 40 G N -0.551 108.246 108.800 -0.005 0.000 2.433 40 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 40 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 40 G C 1.767 176.701 174.900 0.056 0.000 1.186 40 G CA 0.920 46.113 45.100 0.154 0.000 0.779 40 G HN 0.563 nan 8.290 nan 0.000 0.543 41 R N 0.528 120.889 120.500 -0.231 0.000 2.096 41 R HA 0.015 4.356 4.340 0.000 0.000 0.235 41 R C 3.025 178.835 176.300 -0.816 0.000 1.127 41 R CA 1.000 56.791 56.100 -0.515 0.000 0.968 41 R CB -0.420 29.395 30.300 -0.810 0.000 0.861 41 R HN 0.351 nan 8.270 nan 0.000 0.440 42 A N 0.937 123.292 122.820 -0.775 0.000 1.948 42 A HA -0.238 4.082 4.320 0.000 0.000 0.220 42 A C 2.392 179.746 177.584 -0.382 0.000 1.177 42 A CA 1.751 53.444 52.037 -0.573 0.000 0.636 42 A CB -0.956 17.759 19.000 -0.474 0.000 0.815 42 A HN 0.494 nan 8.150 nan 0.000 0.449 43 C N -2.656 116.448 119.300 -0.328 0.000 2.411 43 C HA -0.108 4.352 4.460 0.000 0.000 0.279 43 C C 2.156 176.848 174.990 -0.497 0.000 1.288 43 C CA 0.972 59.754 59.018 -0.393 0.000 1.764 43 C CB -1.618 25.826 27.740 -0.492 0.000 1.974 43 C HN 0.719 nan 8.230 nan 0.000 0.498 44 Y N -0.863 119.262 120.300 -0.293 0.000 2.467 44 Y HA 0.131 4.681 4.550 0.000 0.000 0.250 44 Y C 1.142 176.816 175.900 -0.377 0.000 1.155 44 Y CA -0.077 57.862 58.100 -0.267 0.000 1.249 44 Y CB -0.247 38.082 38.460 -0.218 0.000 1.146 44 Y HN 0.169 nan 8.280 nan 0.000 0.524 45 Q N 0.691 120.218 119.800 -0.456 0.000 2.411 45 Q HA -0.198 4.142 4.340 0.000 0.000 0.305 45 Q C -0.053 175.376 176.000 -0.953 0.000 1.273 45 Q CA 1.157 56.504 55.803 -0.759 0.000 0.895 45 Q CB -2.104 26.503 28.738 -0.218 0.000 1.198 45 Q HN 0.491 nan 8.270 nan 0.000 0.470 46 S N -2.103 113.048 115.700 -0.914 0.000 2.543 46 S HA 0.426 4.897 4.470 0.000 0.000 0.299 46 S C 0.470 174.749 174.600 -0.535 0.000 1.125 46 S CA -0.853 57.032 58.200 -0.525 0.000 1.098 46 S CB -0.068 62.970 63.200 -0.270 0.000 1.063 46 S HN 0.412 nan 8.310 nan 0.000 0.493 47 W N 2.387 123.696 121.300 0.014 0.000 2.812 47 W HA 0.146 4.806 4.660 0.000 0.000 0.263 47 W C 1.399 178.024 176.519 0.176 0.000 1.284 47 W CA -0.178 57.215 57.345 0.080 0.000 1.430 47 W CB -0.046 29.484 29.460 0.117 0.000 1.088 47 W HN 0.710 nan 8.180 nan 0.000 0.623 48 S N 1.277 117.141 115.700 0.273 0.000 2.634 48 S HA 0.367 4.837 4.470 0.000 0.000 0.261 48 S C 0.002 174.695 174.600 0.156 0.000 1.271 48 S CA -0.468 57.852 58.200 0.200 0.000 0.985 48 S CB 1.035 64.312 63.200 0.129 0.000 0.968 48 S HN 0.117 nan 8.310 nan 0.000 0.568 49 K N 1.389 121.861 120.400 0.120 0.000 2.842 49 K HA 0.292 4.612 4.320 0.000 0.000 0.176 49 K C -1.970 174.663 176.600 0.055 0.000 1.080 49 K CA -1.338 55.008 56.287 0.100 0.000 0.954 49 K CB 1.080 33.646 32.500 0.109 0.000 1.203 49 K HN 0.533 nan 8.250 nan 0.000 0.611 50 P HA -0.083 nan 4.420 nan 0.000 0.225 50 P C -0.226 177.071 177.300 -0.005 0.000 1.156 50 P CA 0.663 63.768 63.100 0.009 0.000 0.787 50 P CB 0.260 31.956 31.700 -0.007 0.000 0.802 51 N N 0.438 119.131 118.700 -0.012 0.000 2.469 51 N HA 0.193 4.933 4.740 0.000 0.000 0.253 51 N C -2.019 173.485 175.510 -0.011 0.000 0.970 51 N CA -2.469 50.562 53.050 -0.032 0.000 0.940 51 N CB 1.545 39.982 38.487 -0.084 0.000 1.128 51 N HN -0.232 nan 8.380 nan 0.000 0.503 52 P HA -0.092 nan 4.420 nan 0.000 0.219 52 P C 0.595 177.898 177.300 0.006 0.000 1.146 52 P CA 1.363 64.466 63.100 0.005 0.000 0.808 52 P CB 0.446 32.147 31.700 0.001 0.000 0.779 53 K N -1.063 119.328 120.400 -0.015 0.000 2.217 53 K HA -0.028 4.292 4.320 0.000 0.000 0.202 53 K C 1.468 178.065 176.600 -0.006 0.000 1.051 53 K CA 1.707 57.983 56.287 -0.017 0.000 0.952 53 K CB -0.429 32.044 32.500 -0.044 0.000 0.736 53 K HN 0.283 nan 8.250 nan 0.000 0.453 54 T N -3.221 111.328 114.554 -0.008 0.000 3.129 54 T HA 0.351 4.701 4.350 0.000 0.000 0.267 54 T C 1.311 176.108 174.700 0.163 0.000 1.018 54 T CA -0.063 62.075 62.100 0.063 0.000 0.903 54 T CB 0.849 69.693 68.868 -0.040 0.000 1.067 54 T HN 0.039 nan 8.240 nan 0.000 0.549 55 A N 1.808 124.688 122.820 0.101 0.000 2.208 55 A HA 0.336 4.656 4.320 0.000 0.000 0.209 55 A C 1.469 179.114 177.584 0.102 0.000 1.161 55 A CA 0.622 52.720 52.037 0.102 0.000 0.782 55 A CB -0.549 18.487 19.000 0.059 0.000 0.816 55 A HN 0.688 nan 8.150 nan 0.000 0.477 56 T N -4.513 110.107 114.554 0.111 0.000 2.940 56 T HA 0.378 4.728 4.350 0.000 0.000 0.288 56 T C 0.636 175.431 174.700 0.158 0.000 1.033 56 T CA -0.131 62.030 62.100 0.102 0.000 1.033 56 T CB 1.329 70.242 68.868 0.074 0.000 1.079 56 T HN 0.117 nan 8.240 nan 0.000 0.496 57 N N 1.052 119.838 118.700 0.144 0.000 2.084 57 N HA -0.093 4.647 4.740 0.000 0.000 0.190 57 N C 2.179 177.808 175.510 0.198 0.000 1.030 57 N CA 1.949 55.112 53.050 0.188 0.000 0.849 57 N CB -0.610 37.967 38.487 0.151 0.000 1.012 57 N HN 0.791 nan 8.380 nan 0.000 0.423 58 A N -0.390 122.515 122.820 0.141 0.000 1.940 58 A HA -0.002 4.318 4.320 0.000 0.000 0.219 58 A C 2.296 179.949 177.584 0.115 0.000 1.176 58 A CA 1.837 53.946 52.037 0.119 0.000 0.631 58 A CB -1.449 17.604 19.000 0.088 0.000 0.814 58 A HN 0.482 nan 8.150 nan 0.000 0.446 59 G N -2.036 106.834 108.800 0.116 0.000 2.402 59 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 59 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 59 G C 1.550 176.520 174.900 0.118 0.000 1.162 59 G CA 1.167 46.323 45.100 0.095 0.000 0.777 59 G HN 0.563 nan 8.290 nan 0.000 0.539 60 Y N 1.056 121.400 120.300 0.073 0.000 2.181 60 Y HA -0.030 4.520 4.550 0.000 0.000 0.288 60 Y C 2.626 178.583 175.900 0.095 0.000 1.146 60 Y CA 1.351 59.505 58.100 0.089 0.000 1.164 60 Y CB -0.117 38.414 38.460 0.118 0.000 0.982 60 Y HN 0.097 nan 8.280 nan 0.000 0.515 61 L N -0.442 120.916 121.223 0.224 0.000 2.046 61 L HA -0.242 4.098 4.340 0.000 0.000 0.208 61 L C 2.968 179.844 176.870 0.010 0.000 1.077 61 L CA 1.498 56.418 54.840 0.133 0.000 0.747 61 L CB -1.058 41.098 42.059 0.162 0.000 0.896 61 L HN 0.204 nan 8.230 nan 0.000 0.432 62 R N -0.508 120.003 120.500 0.019 0.000 2.091 62 R HA -0.249 4.091 4.340 0.000 0.000 0.238 62 R C 2.099 178.355 176.300 -0.073 0.000 1.136 62 R CA 2.035 58.126 56.100 -0.016 0.000 0.959 62 R CB -2.086 28.220 30.300 0.010 0.000 0.856 62 R HN 0.574 nan 8.270 nan 0.000 0.437 63 H N -0.214 118.735 119.070 -0.202 0.000 2.353 63 H HA 0.114 4.670 4.556 0.000 0.000 0.300 63 H C 0.862 175.955 175.328 -0.391 0.000 1.090 63 H CA 0.984 56.853 56.048 -0.299 0.000 1.327 63 H CB -0.159 29.381 29.762 -0.370 0.000 1.383 63 H HN 0.432 nan 8.280 nan 0.000 0.508 67 V N 1.081 120.681 119.914 -0.523 0.000 3.633 67 V HA 0.418 4.538 4.120 0.000 0.000 0.283 67 V C 1.125 176.985 176.094 -0.390 0.000 1.305 67 V CA 1.492 63.492 62.300 -0.500 0.000 1.153 67 V CB -0.447 30.913 31.823 -0.772 0.000 0.950 67 V HN 0.547 nan 8.190 nan 0.000 0.432 68 G N 0.776 109.259 108.800 -0.528 0.000 2.273 68 G HA2 -0.295 3.665 3.960 0.000 0.000 0.280 68 G HA3 -0.295 3.665 3.960 0.000 0.000 0.280 68 G C 0.162 174.771 174.900 -0.486 0.000 1.047 68 G CA 0.594 45.276 45.100 -0.698 0.000 0.869 68 G HN 0.721 nan 8.290 nan 0.000 0.502 69 H N -0.730 117.959 119.070 -0.634 0.000 2.794 69 H HA 0.279 4.835 4.556 0.000 0.000 0.256 69 H C 1.370 176.560 175.328 -0.230 0.000 1.637 69 H CA -0.610 55.247 56.048 -0.318 0.000 1.222 69 H CB -0.117 29.524 29.762 -0.202 0.000 1.545 69 H HN 0.504 nan 8.280 nan 0.000 0.518 70 F N 0.532 120.528 119.950 0.076 0.000 2.333 70 F HA -0.229 4.298 4.527 0.000 0.000 0.300 70 F C 2.741 178.556 175.800 0.025 0.000 1.083 70 F CA 0.785 58.811 58.000 0.043 0.000 1.395 70 F CB 0.127 39.140 39.000 0.022 0.000 1.056 70 F HN 0.379 nan 8.300 nan 0.000 0.529 71 S N -0.513 115.271 115.700 0.140 0.000 2.419 71 S HA -0.164 4.306 4.470 0.000 0.000 0.233 71 S C 2.039 176.649 174.600 0.016 0.000 1.016 71 S CA 1.076 59.298 58.200 0.036 0.000 0.974 71 S CB -0.986 62.203 63.200 -0.018 0.000 0.786 71 S HN 0.245 nan 8.310 nan 0.000 0.492 72 V N 1.729 121.700 119.914 0.094 0.000 2.594 72 V HA -0.013 4.107 4.120 0.000 0.000 0.253 72 V C 2.130 178.347 176.094 0.205 0.000 1.069 72 V CA 1.489 63.903 62.300 0.190 0.000 1.082 72 V CB -0.645 31.305 31.823 0.211 0.000 0.680 72 V HN 0.627 nan 8.190 nan 0.000 0.469 73 L N -0.389 120.941 121.223 0.179 0.000 2.275 73 L HA -0.121 4.219 4.340 0.000 0.000 0.215 73 L C 2.345 179.280 176.870 0.109 0.000 1.119 73 L CA 1.371 56.349 54.840 0.230 0.000 0.790 73 L CB -0.600 41.644 42.059 0.308 0.000 0.919 73 L HN 0.427 nan 8.230 nan 0.000 0.443 74 E N -0.878 119.304 120.200 -0.030 0.000 2.418 74 E HA -0.158 4.193 4.350 0.000 0.000 0.197 74 E C 1.773 178.260 176.600 -0.188 0.000 1.026 74 E CA 0.367 56.690 56.400 -0.129 0.000 0.862 74 E CB -0.001 29.570 29.700 -0.214 0.000 0.799 74 E HN 0.585 nan 8.360 nan 0.000 0.518 75 H N 0.211 119.278 119.070 -0.005 0.000 2.462 75 H HA 0.123 4.679 4.556 0.000 0.000 0.292 75 H C 0.722 176.003 175.328 -0.079 0.000 1.049 75 H CA 0.858 56.900 56.048 -0.011 0.000 1.334 75 H CB 0.144 29.925 29.762 0.033 0.000 1.404 75 H HN 0.054 nan 8.280 nan 0.000 0.544 76 A N 1.328 124.059 122.820 -0.149 0.000 2.312 76 A HA 0.522 4.842 4.320 0.000 0.000 0.326 76 A C 0.107 177.457 177.584 -0.390 0.000 1.172 76 A CA -0.283 51.525 52.037 -0.381 0.000 0.821 76 A CB 0.941 19.441 19.000 -0.833 0.000 1.166 76 A HN 0.292 nan 8.150 nan 0.000 0.493 77 S N 0.233 115.847 115.700 -0.142 0.000 2.627 77 S HA 0.837 5.308 4.470 0.000 0.000 0.283 77 S C -0.996 173.692 174.600 0.146 0.000 1.127 77 S CA -0.675 57.571 58.200 0.076 0.000 0.863 77 S CB 1.592 64.853 63.200 0.103 0.000 1.121 77 S HN 1.005 nan 8.310 nan 0.000 0.479 78 V N 1.267 121.344 119.914 0.272 0.000 2.760 78 V HA 0.678 4.798 4.120 0.000 0.000 0.309 78 V C -0.624 175.496 176.094 0.043 0.000 1.077 78 V CA -0.606 61.724 62.300 0.050 0.000 0.910 78 V CB 2.216 33.947 31.823 -0.154 0.000 1.008 78 V HN 1.032 nan 8.190 nan 0.000 0.424 79 S N 3.601 119.192 115.700 -0.181 0.000 2.501 79 S HA 0.831 5.301 4.470 0.000 0.000 0.301 79 S C -0.986 173.362 174.600 -0.419 0.000 1.096 79 S CA -0.397 57.721 58.200 -0.136 0.000 1.063 79 S CB 1.242 64.425 63.200 -0.029 0.000 1.042 79 S HN 0.450 nan 8.310 nan 0.000 0.494 80 F N 1.439 121.447 119.950 0.096 0.000 2.522 80 F HA 0.434 4.961 4.527 0.000 0.000 0.324 80 F C -0.481 175.408 175.800 0.149 0.000 1.077 80 F CA -1.010 57.026 58.000 0.060 0.000 0.944 80 F CB 1.093 40.081 39.000 -0.019 0.000 1.175 80 F HN 0.531 nan 8.300 nan 0.000 0.468 81 Y N 4.098 124.515 120.300 0.194 0.000 2.353 81 Y HA 0.635 5.185 4.550 0.000 0.000 0.340 81 Y C -0.845 175.118 175.900 0.106 0.000 0.972 81 Y CA -1.570 56.602 58.100 0.121 0.000 1.157 81 Y CB 0.428 38.933 38.460 0.075 0.000 1.157 81 Y HN 0.400 nan 8.280 nan 0.000 0.495 82 I N 6.656 127.117 120.570 -0.182 0.000 2.378 82 I HA 0.417 4.587 4.170 0.000 0.000 0.291 82 I C -0.080 175.800 176.117 -0.394 0.000 0.992 82 I CA -0.486 60.676 61.300 -0.230 0.000 1.154 82 I CB 1.773 39.722 38.000 -0.085 0.000 1.315 82 I HN 0.659 nan 8.210 nan 0.000 0.448 83 T N 0.744 115.090 114.554 -0.346 0.000 2.907 83 T HA 0.672 5.022 4.350 0.000 0.000 0.290 83 T C 0.623 175.236 174.700 -0.145 0.000 1.066 83 T CA -0.286 61.649 62.100 -0.274 0.000 1.012 83 T CB 1.733 70.422 68.868 -0.300 0.000 1.184 83 T HN 1.029 nan 8.240 nan 0.000 0.522 84 G N 0.336 109.076 108.800 -0.099 0.000 2.246 84 G HA2 -0.181 3.780 3.960 0.000 0.000 0.273 84 G HA3 -0.181 3.780 3.960 0.000 0.000 0.273 84 G C -0.199 174.670 174.900 -0.053 0.000 1.055 84 G CA 0.354 45.416 45.100 -0.064 0.000 0.851 84 G HN 1.157 nan 8.290 nan 0.000 0.500 85 I N 0.869 121.409 120.570 -0.051 0.000 2.509 85 I HA 0.642 4.812 4.170 0.000 0.000 0.293 85 I C 0.748 176.853 176.117 -0.020 0.000 1.020 85 I CA -0.458 60.823 61.300 -0.031 0.000 1.088 85 I CB 1.691 39.672 38.000 -0.031 0.000 1.267 85 I HN 0.351 nan 8.210 nan 0.000 0.430 86 S N 6.817 122.513 115.700 -0.007 0.000 2.614 86 S HA 0.357 4.827 4.470 0.000 0.000 0.265 86 S C 1.114 175.719 174.600 0.008 0.000 1.303 86 S CA -0.568 57.631 58.200 -0.002 0.000 1.000 86 S CB 1.582 64.783 63.200 0.002 0.000 0.935 86 S HN 0.748 nan 8.310 nan 0.000 0.551 87 R N 0.858 121.364 120.500 0.010 0.000 2.120 87 R HA -0.077 4.263 4.340 0.000 0.000 0.234 87 R C 2.586 178.920 176.300 0.057 0.000 1.123 87 R CA 1.657 57.772 56.100 0.025 0.000 0.975 87 R CB -1.089 29.225 30.300 0.023 0.000 0.866 87 R HN 0.933 nan 8.270 nan 0.000 0.446 88 S N -0.556 115.171 115.700 0.045 0.000 2.406 88 S HA -0.142 4.328 4.470 0.000 0.000 0.228 88 S C 2.377 177.019 174.600 0.069 0.000 1.020 88 S CA 1.019 59.250 58.200 0.051 0.000 0.965 88 S CB -0.745 62.462 63.200 0.011 0.000 0.798 88 S HN 0.414 nan 8.310 nan 0.000 0.488 89 C N 3.020 122.352 119.300 0.053 0.000 2.446 89 C HA -0.048 4.412 4.460 0.000 0.000 0.277 89 C C 3.204 178.238 174.990 0.074 0.000 1.275 89 C CA 1.656 60.713 59.018 0.064 0.000 1.727 89 C CB -1.677 26.091 27.740 0.047 0.000 2.010 89 C HN 0.812 nan 8.230 nan 0.000 0.486 90 T N -2.528 112.051 114.554 0.042 0.000 2.915 90 T HA -0.191 4.159 4.350 0.000 0.000 0.269 90 T C 1.812 176.504 174.700 -0.014 0.000 1.071 90 T CA 1.636 63.731 62.100 -0.008 0.000 1.132 90 T CB -0.818 68.019 68.868 -0.051 0.000 0.878 90 T HN 0.691 nan 8.240 nan 0.000 0.479 91 H N 1.725 120.772 119.070 -0.037 0.000 2.457 91 H HA 0.062 4.618 4.556 0.000 0.000 0.294 91 H C 1.934 177.248 175.328 -0.023 0.000 1.064 91 H CA 1.482 57.507 56.048 -0.039 0.000 1.330 91 H CB 0.110 29.856 29.762 -0.026 0.000 1.395 91 H HN 0.644 nan 8.280 nan 0.000 0.541 92 E N -0.350 119.953 120.200 0.171 0.000 2.140 92 E HA -0.082 4.268 4.350 0.000 0.000 0.191 92 E C 2.239 178.937 176.600 0.164 0.000 0.973 92 E CA 0.273 56.759 56.400 0.144 0.000 0.829 92 E CB 0.073 29.854 29.700 0.134 0.000 0.781 92 E HN 0.162 nan 8.360 nan 0.000 0.466 93 L N 2.150 123.472 121.223 0.165 0.000 2.012 93 L HA -0.145 4.195 4.340 0.000 0.000 0.210 93 L C 2.144 179.114 176.870 0.167 0.000 1.073 93 L CA 1.666 56.655 54.840 0.247 0.000 0.748 93 L CB -0.492 41.634 42.059 0.112 0.000 0.891 93 L HN 0.204 nan 8.230 nan 0.000 0.431 94 I N -3.647 116.835 120.570 -0.146 0.000 3.444 94 I HA -0.015 4.155 4.170 0.000 0.000 0.287 94 I C 1.764 177.843 176.117 -0.064 0.000 1.302 94 I CA 0.338 61.406 61.300 -0.387 0.000 1.368 94 I CB -0.557 37.065 38.000 -0.629 0.000 1.048 94 I HN 0.112 nan 8.210 nan 0.000 0.487 95 R N 0.774 121.268 120.500 -0.010 0.000 2.235 95 R HA 0.046 4.386 4.340 0.000 0.000 0.213 95 R C 0.254 176.504 176.300 -0.083 0.000 1.059 95 R CA 0.453 56.520 56.100 -0.055 0.000 0.997 95 R CB -0.706 29.539 30.300 -0.092 0.000 0.884 95 R HN 0.547 nan 8.270 nan 0.000 0.462 96 H N 1.131 120.328 119.070 0.212 0.000 3.015 96 H HA 0.136 4.692 4.556 0.000 0.000 0.268 96 H C 0.859 176.271 175.328 0.139 0.000 1.113 96 H CA 0.131 56.292 56.048 0.189 0.000 1.479 96 H CB 0.629 30.544 29.762 0.257 0.000 1.493 96 H HN -0.062 nan 8.280 nan 0.000 0.486 97 R N 1.547 122.074 120.500 0.044 0.000 2.297 97 R HA 0.003 4.343 4.340 0.000 0.000 0.197 97 R C 0.380 176.507 176.300 -0.289 0.000 0.943 97 R CA 0.423 56.468 56.100 -0.092 0.000 1.038 97 R CB 0.238 30.423 30.300 -0.191 0.000 0.957 97 R HN 0.592 nan 8.270 nan 0.000 0.484 98 H N -0.952 118.039 119.070 -0.131 0.000 2.524 98 H HA 0.169 4.725 4.556 0.000 0.000 0.299 98 H C -0.800 174.315 175.328 -0.355 0.000 1.074 98 H CA -0.356 55.556 56.048 -0.226 0.000 1.115 98 H CB 0.197 29.814 29.762 -0.241 0.000 1.522 98 H HN -0.078 nan 8.280 nan 0.000 0.543 99 F N -0.285 119.548 119.950 -0.196 0.000 2.541 99 F HA 0.491 5.019 4.527 0.000 0.000 0.331 99 F C 0.489 175.933 175.800 -0.593 0.000 1.057 99 F CA -1.310 56.391 58.000 -0.499 0.000 0.975 99 F CB 1.801 40.319 39.000 -0.804 0.000 1.246 99 F HN -0.195 nan 8.300 nan 0.000 0.484 100 S N 0.467 115.940 115.700 -0.378 0.000 2.501 100 S HA 0.711 5.181 4.470 0.000 0.000 0.301 100 S C -1.602 172.678 174.600 -0.534 0.000 1.096 100 S CA -0.571 57.412 58.200 -0.363 0.000 1.063 100 S CB 1.060 64.186 63.200 -0.122 0.000 1.042 100 S HN 0.385 nan 8.310 nan 0.000 0.494 101 Y N 0.187 120.507 120.300 0.034 0.000 2.512 101 Y HA 0.599 5.149 4.550 0.000 0.000 0.348 101 Y C 0.117 176.035 175.900 0.030 0.000 0.990 101 Y CA -0.872 57.240 58.100 0.019 0.000 1.033 101 Y CB 2.159 40.626 38.460 0.011 0.000 1.259 101 Y HN 0.517 nan 8.280 nan 0.000 0.461 102 S N 2.286 118.108 115.700 0.204 0.000 2.733 102 S HA 0.353 4.823 4.470 0.000 0.000 0.294 102 S C -1.340 173.350 174.600 0.148 0.000 1.149 102 S CA -0.864 57.422 58.200 0.144 0.000 1.034 102 S CB 1.524 64.785 63.200 0.101 0.000 1.015 102 S HN 0.631 nan 8.310 nan 0.000 0.486 103 Q N 2.525 122.394 119.800 0.116 0.000 2.375 103 Q HA 0.561 4.901 4.340 0.000 0.000 0.271 103 Q C -1.020 175.029 176.000 0.081 0.000 1.074 103 Q CA -1.070 54.788 55.803 0.093 0.000 0.808 103 Q CB 1.310 30.070 28.738 0.037 0.000 1.327 103 Q HN 0.605 nan 8.270 nan 0.000 0.441 104 L N 2.817 124.094 121.223 0.090 0.000 2.601 104 L HA 0.108 4.448 4.340 0.000 0.000 0.277 104 L C -0.619 176.278 176.870 0.045 0.000 1.219 104 L CA 1.093 55.982 54.840 0.082 0.000 0.915 104 L CB 0.844 42.952 42.059 0.081 0.000 1.160 104 L HN 0.580 nan 8.230 nan 0.000 0.494 105 S N 3.797 119.529 115.700 0.054 0.000 2.457 105 S HA 0.292 4.762 4.470 0.000 0.000 0.289 105 S C 0.753 175.354 174.600 0.001 0.000 1.163 105 S CA -0.426 57.764 58.200 -0.017 0.000 1.078 105 S CB 0.962 64.108 63.200 -0.091 0.000 0.987 105 S HN 0.864 nan 8.310 nan 0.000 0.482 106 Q N 3.344 123.128 119.800 -0.027 0.000 2.172 106 Q HA 0.010 4.350 4.340 0.000 0.000 0.200 106 Q C 1.972 177.984 176.000 0.020 0.000 0.964 106 Q CA 0.935 56.745 55.803 0.012 0.000 0.855 106 Q CB 0.010 28.757 28.738 0.016 0.000 0.918 106 Q HN 0.694 nan 8.270 nan 0.000 0.444 107 R N -0.470 119.980 120.500 -0.083 0.000 2.120 107 R HA -0.143 4.197 4.340 0.000 0.000 0.234 107 R C 1.139 177.481 176.300 0.070 0.000 1.123 107 R CA 1.178 57.217 56.100 -0.101 0.000 0.975 107 R CB 0.048 30.144 30.300 -0.339 0.000 0.866 107 R HN 0.293 nan 8.270 nan 0.000 0.446 108 Y N -1.174 119.149 120.300 0.038 0.000 2.498 108 Y HA 0.226 4.776 4.550 0.000 0.000 0.259 108 Y C 0.431 176.355 175.900 0.040 0.000 1.086 108 Y CA -0.590 57.530 58.100 0.033 0.000 1.287 108 Y CB 0.771 39.246 38.460 0.025 0.000 1.146 108 Y HN -0.307 nan 8.280 nan 0.000 0.523 109 V N 3.250 123.278 119.914 0.191 0.000 2.350 109 V HA 0.342 4.462 4.120 0.000 0.000 0.285 109 V C -2.314 173.844 176.094 0.105 0.000 1.014 109 V CA -2.437 59.939 62.300 0.127 0.000 0.831 109 V CB 1.340 33.222 31.823 0.100 0.000 1.000 109 V HN -0.103 nan 8.190 nan 0.000 0.433 110 P HA 0.036 nan 4.420 nan 0.000 0.263 110 P C 0.277 177.606 177.300 0.048 0.000 1.175 110 P CA 0.520 63.687 63.100 0.111 0.000 0.761 110 P CB 0.670 32.425 31.700 0.093 0.000 0.794 111 E N 1.625 121.823 120.200 -0.005 0.000 2.562 111 E HA 0.027 4.377 4.350 0.000 0.000 0.214 111 E C 1.855 178.294 176.600 -0.267 0.000 0.979 111 E CA -0.098 56.176 56.400 -0.211 0.000 1.002 111 E CB 0.098 29.508 29.700 -0.483 0.000 1.048 111 E HN 0.304 nan 8.360 nan 0.000 0.488 112 K N 0.826 121.158 120.400 -0.113 0.000 2.519 112 K HA -0.095 4.225 4.320 0.000 0.000 0.196 112 K C 0.910 177.478 176.600 -0.054 0.000 1.041 112 K CA 1.345 57.595 56.287 -0.061 0.000 0.954 112 K CB -0.171 32.371 32.500 0.070 0.000 0.774 112 K HN -0.028 nan 8.250 nan 0.000 0.480 113 D N -0.408 119.958 120.400 -0.056 0.000 2.620 113 D HA 0.075 4.715 4.640 0.000 0.000 0.260 113 D C -0.203 176.071 176.300 -0.044 0.000 1.367 113 D CA 0.223 54.201 54.000 -0.036 0.000 0.805 113 D CB 0.248 41.041 40.800 -0.011 0.000 1.096 113 D HN 0.485 nan 8.370 nan 0.000 0.488 114 S N -0.044 115.611 115.700 -0.076 0.000 2.569 114 S HA 0.237 4.707 4.470 0.000 0.000 0.274 114 S C 0.730 175.301 174.600 -0.048 0.000 1.353 114 S CA -0.283 57.877 58.200 -0.066 0.000 1.023 114 S CB 1.632 64.771 63.200 -0.101 0.000 0.876 114 S HN 0.062 nan 8.310 nan 0.000 0.540 115 R N 0.213 120.692 120.500 -0.035 0.000 2.549 115 R HA 0.732 5.072 4.340 0.000 0.000 0.259 115 R C -0.864 175.418 176.300 -0.030 0.000 1.095 115 R CA -0.916 55.168 56.100 -0.028 0.000 1.148 115 R CB 0.883 31.171 30.300 -0.021 0.000 1.181 115 R HN 0.499 nan 8.270 nan 0.000 0.571 116 V N 1.046 120.946 119.914 -0.024 0.000 2.823 116 V HA 0.321 4.441 4.120 0.000 0.000 0.312 116 V C -0.707 175.376 176.094 -0.018 0.000 1.072 116 V CA -0.776 61.511 62.300 -0.022 0.000 0.937 116 V CB 2.477 34.288 31.823 -0.020 0.000 1.013 116 V HN 0.378 nan 8.190 nan 0.000 0.430 117 V N 4.785 124.689 119.914 -0.016 0.000 2.370 117 V HA 0.387 4.507 4.120 0.000 0.000 0.283 117 V C -0.136 175.951 176.094 -0.011 0.000 1.023 117 V CA -0.642 61.649 62.300 -0.015 0.000 0.857 117 V CB 1.796 33.609 31.823 -0.016 0.000 0.985 117 V HN 0.595 nan 8.190 nan 0.000 0.443 118 V N 7.793 127.701 119.914 -0.009 0.000 2.455 118 V HA 0.216 4.336 4.120 0.000 0.000 0.273 118 V C -1.989 174.101 176.094 -0.006 0.000 1.045 118 V CA -1.592 60.704 62.300 -0.006 0.000 0.976 118 V CB 0.868 32.689 31.823 -0.003 0.000 0.993 118 V HN 0.767 nan 8.190 nan 0.000 0.475 119 P HA 0.094 nan 4.420 nan 0.000 0.262 119 P C -1.942 175.355 177.300 -0.006 0.000 1.182 119 P CA -0.861 62.237 63.100 -0.005 0.000 0.761 119 P CB 0.041 31.738 31.700 -0.004 0.000 0.795 120 P HA -0.179 nan 4.420 nan 0.000 0.216 120 P C 0.953 178.248 177.300 -0.008 0.000 1.154 120 P CA 1.681 64.776 63.100 -0.009 0.000 0.865 120 P CB -0.224 31.469 31.700 -0.012 0.000 0.789 124 D N 0.871 121.270 120.400 -0.002 0.000 2.339 124 D HA -0.017 4.623 4.640 0.000 0.000 0.217 124 D C 0.057 176.357 176.300 0.001 0.000 1.050 124 D CA 0.321 54.320 54.000 -0.002 0.000 0.856 124 D CB 0.257 41.054 40.800 -0.004 0.000 0.922 124 D HN -0.063 nan 8.370 nan 0.000 0.518 125 D N 0.439 120.842 120.400 0.004 0.000 2.414 125 D HA 0.376 5.016 4.640 0.000 0.000 0.232 125 D C 0.659 176.968 176.300 0.014 0.000 1.070 125 D CA -0.467 53.538 54.000 0.007 0.000 0.839 125 D CB 1.858 42.663 40.800 0.008 0.000 1.079 125 D HN 0.007 nan 8.370 nan 0.000 0.521 126 A N 3.810 126.637 122.820 0.011 0.000 2.015 126 A HA -0.151 4.169 4.320 0.000 0.000 0.219 126 A C 1.598 179.204 177.584 0.037 0.000 1.163 126 A CA 1.338 53.384 52.037 0.014 0.000 0.646 126 A CB 0.002 19.000 19.000 -0.004 0.000 0.806 126 A HN 0.702 nan 8.150 nan 0.000 0.448 127 D N -0.274 120.151 120.400 0.042 0.000 2.277 127 D HA -0.030 4.610 4.640 0.000 0.000 0.209 127 D C 1.893 178.245 176.300 0.085 0.000 0.970 127 D CA 0.370 54.418 54.000 0.080 0.000 0.874 127 D CB -0.594 40.241 40.800 0.059 0.000 0.982 127 D HN 0.428 nan 8.370 nan 0.000 0.504 128 L N 0.493 121.744 121.223 0.047 0.000 2.013 128 L HA -0.167 4.173 4.340 0.000 0.000 0.212 128 L C 3.034 179.924 176.870 0.034 0.000 1.073 128 L CA 1.328 56.186 54.840 0.031 0.000 0.753 128 L CB -0.407 41.663 42.059 0.017 0.000 0.890 128 L HN -0.036 nan 8.230 nan 0.000 0.432 129 R N -1.071 119.455 120.500 0.044 0.000 2.096 129 R HA -0.250 4.090 4.340 0.000 0.000 0.240 129 R C 2.350 178.696 176.300 0.076 0.000 1.139 129 R CA 1.953 58.081 56.100 0.048 0.000 0.952 129 R CB -0.577 29.752 30.300 0.048 0.000 0.854 129 R HN 0.388 nan 8.270 nan 0.000 0.436 130 H N 0.717 119.785 119.070 -0.004 0.000 2.353 130 H HA -0.021 4.535 4.556 0.000 0.000 0.300 130 H C 1.889 177.215 175.328 -0.003 0.000 1.090 130 H CA 1.695 57.741 56.048 -0.003 0.000 1.327 130 H CB -0.196 29.564 29.762 -0.002 0.000 1.383 130 H HN 0.111 nan 8.280 nan 0.000 0.508 131 I N -0.164 120.370 120.570 -0.059 0.000 2.208 131 I HA -0.268 3.902 4.170 0.000 0.000 0.245 131 I C 2.616 178.674 176.117 -0.098 0.000 1.097 131 I CA 1.157 62.393 61.300 -0.107 0.000 1.363 131 I CB -0.276 37.704 38.000 -0.034 0.000 1.051 131 I HN 0.312 nan 8.210 nan 0.000 0.413 132 L N 0.565 121.756 121.223 -0.053 0.000 2.027 132 L HA -0.197 4.143 4.340 0.000 0.000 0.206 132 L C 2.860 179.699 176.870 -0.051 0.000 1.074 132 L CA 2.231 57.047 54.840 -0.040 0.000 0.745 132 L CB -0.515 41.534 42.059 -0.018 0.000 0.898 132 L HN 0.422 nan 8.230 nan 0.000 0.433 133 T N -3.476 111.048 114.554 -0.050 0.000 2.788 133 T HA -0.163 4.188 4.350 0.000 0.000 0.268 133 T C 1.702 176.356 174.700 -0.077 0.000 1.044 133 T CA 0.923 62.997 62.100 -0.043 0.000 1.139 133 T CB -0.316 68.552 68.868 0.000 0.000 0.867 133 T HN 0.284 nan 8.240 nan 0.000 0.454 134 E N 1.674 121.778 120.200 -0.160 0.000 2.106 134 E HA 0.031 4.381 4.350 0.000 0.000 0.192 134 E C 2.653 179.197 176.600 -0.093 0.000 0.984 134 E CA 1.249 57.551 56.400 -0.163 0.000 0.806 134 E CB -0.672 28.854 29.700 -0.290 0.000 0.750 134 E HN 0.677 nan 8.360 nan 0.000 0.458 135 A N 1.602 124.372 122.820 -0.083 0.000 1.877 135 A HA -0.119 4.201 4.320 0.000 0.000 0.216 135 A C 2.452 180.016 177.584 -0.033 0.000 1.186 135 A CA 2.182 54.190 52.037 -0.049 0.000 0.620 135 A CB -0.669 18.306 19.000 -0.042 0.000 0.822 135 A HN 0.271 nan 8.150 nan 0.000 0.443 136 A N 0.026 122.825 122.820 -0.035 0.000 1.908 136 A HA -0.229 4.091 4.320 0.000 0.000 0.218 136 A C 1.799 179.369 177.584 -0.024 0.000 1.181 136 A CA 1.995 54.015 52.037 -0.028 0.000 0.627 136 A CB -0.664 18.318 19.000 -0.029 0.000 0.818 136 A HN 0.488 nan 8.150 nan 0.000 0.445 137 D N -0.001 120.384 120.400 -0.025 0.000 2.117 137 D HA -0.074 4.566 4.640 0.000 0.000 0.197 137 D C 2.265 178.562 176.300 -0.005 0.000 0.987 137 D CA 1.561 55.552 54.000 -0.015 0.000 0.829 137 D CB -0.469 40.321 40.800 -0.017 0.000 0.961 137 D HN 0.432 nan 8.370 nan 0.000 0.460 138 A N 1.125 123.939 122.820 -0.010 0.000 1.902 138 A HA -0.066 4.254 4.320 0.000 0.000 0.217 138 A C 2.334 179.928 177.584 0.017 0.000 1.181 138 A CA 2.292 54.329 52.037 0.000 0.000 0.623 138 A CB -0.696 18.298 19.000 -0.010 0.000 0.818 138 A HN 0.242 nan 8.150 nan 0.000 0.443 139 A N -0.514 122.314 122.820 0.014 0.000 1.902 139 A HA -0.157 4.163 4.320 0.000 0.000 0.217 139 A C 2.236 179.859 177.584 0.064 0.000 1.181 139 A CA 1.774 53.832 52.037 0.035 0.000 0.623 139 A CB -0.445 18.567 19.000 0.019 0.000 0.818 139 A HN 0.509 nan 8.150 nan 0.000 0.443 140 R N -0.633 119.886 120.500 0.032 0.000 2.148 140 R HA -0.023 4.317 4.340 0.000 0.000 0.227 140 R C 2.235 178.596 176.300 0.102 0.000 1.103 140 R CA 1.165 57.285 56.100 0.034 0.000 0.983 140 R CB -0.311 29.974 30.300 -0.025 0.000 0.874 140 R HN 0.497 nan 8.270 nan 0.000 0.451 141 A N -0.406 122.457 122.820 0.071 0.000 1.873 141 A HA -0.110 4.210 4.320 0.000 0.000 0.215 141 A C 2.070 179.703 177.584 0.081 0.000 1.186 141 A CA 1.869 53.947 52.037 0.068 0.000 0.616 141 A CB -0.873 18.150 19.000 0.038 0.000 0.823 141 A HN 0.382 nan 8.150 nan 0.000 0.442 142 T N -1.163 113.436 114.554 0.076 0.000 2.699 142 T HA -0.251 4.099 4.350 0.000 0.000 0.268 142 T C 1.754 176.507 174.700 0.089 0.000 1.036 142 T CA 1.819 63.958 62.100 0.065 0.000 1.147 142 T CB -0.568 68.334 68.868 0.057 0.000 0.862 142 T HN 0.564 nan 8.240 nan 0.000 0.446 143 Y N 2.163 122.467 120.300 0.007 0.000 2.097 143 Y HA -0.237 4.313 4.550 0.000 0.000 0.282 143 Y C 2.712 178.620 175.900 0.014 0.000 1.152 143 Y CA 1.824 59.932 58.100 0.012 0.000 1.136 143 Y CB -0.490 37.978 38.460 0.013 0.000 0.975 143 Y HN 0.122 nan 8.280 nan 0.000 0.498 144 S N 0.047 115.886 115.700 0.233 0.000 2.383 144 S HA -0.259 4.211 4.470 0.000 0.000 0.229 144 S C 1.878 176.476 174.600 -0.003 0.000 1.030 144 S CA 1.441 59.707 58.200 0.111 0.000 1.002 144 S CB -0.453 62.828 63.200 0.136 0.000 0.829 144 S HN 0.614 nan 8.310 nan 0.000 0.467 145 E N 1.055 121.258 120.200 0.005 0.000 2.023 145 E HA -0.175 4.175 4.350 0.000 0.000 0.196 145 E C 2.006 178.570 176.600 -0.060 0.000 1.003 145 E CA 1.198 57.587 56.400 -0.019 0.000 0.809 145 E CB -0.203 29.494 29.700 -0.004 0.000 0.755 145 E HN 0.413 nan 8.360 nan 0.000 0.449 146 L N 0.389 121.558 121.223 -0.089 0.000 2.017 146 L HA -0.213 4.127 4.340 0.000 0.000 0.208 146 L C 2.737 179.510 176.870 -0.161 0.000 1.073 146 L CA 0.783 55.549 54.840 -0.122 0.000 0.745 146 L CB -0.481 41.502 42.059 -0.127 0.000 0.894 146 L HN 0.279 nan 8.230 nan 0.000 0.432 147 L N 0.085 121.155 121.223 -0.256 0.000 2.013 147 L HA -0.248 4.093 4.340 0.000 0.000 0.212 147 L C 2.670 179.477 176.870 -0.104 0.000 1.073 147 L CA 2.090 56.795 54.840 -0.225 0.000 0.753 147 L CB -0.678 41.193 42.059 -0.312 0.000 0.890 147 L HN 0.202 nan 8.230 nan 0.000 0.432 148 A N -0.554 122.218 122.820 -0.081 0.000 1.859 148 A HA -0.303 4.017 4.320 0.000 0.000 0.217 148 A C 2.354 179.901 177.584 -0.063 0.000 1.198 148 A CA 2.438 54.446 52.037 -0.048 0.000 0.629 148 A CB -0.667 18.314 19.000 -0.033 0.000 0.830 148 A HN 0.540 nan 8.150 nan 0.000 0.446 149 K N -0.749 119.603 120.400 -0.081 0.000 2.097 149 K HA 0.017 4.337 4.320 0.000 0.000 0.205 149 K C 1.919 178.421 176.600 -0.163 0.000 1.050 149 K CA 1.182 57.407 56.287 -0.104 0.000 0.938 149 K CB -0.327 32.115 32.500 -0.096 0.000 0.718 149 K HN 0.462 nan 8.250 nan 0.000 0.442 150 L N 1.011 122.132 121.223 -0.170 0.000 2.056 150 L HA -0.171 4.169 4.340 0.000 0.000 0.207 150 L C 2.222 178.951 176.870 -0.235 0.000 1.078 150 L CA 1.323 55.996 54.840 -0.278 0.000 0.749 150 L CB -0.262 41.738 42.059 -0.097 0.000 0.901 150 L HN 0.186 nan 8.230 nan 0.000 0.433 151 E N -0.076 120.101 120.200 -0.038 0.000 2.118 151 E HA -0.251 4.099 4.350 0.000 0.000 0.195 151 E C 2.261 178.859 176.600 -0.004 0.000 0.992 151 E CA 1.146 57.575 56.400 0.048 0.000 0.804 151 E CB -0.147 29.577 29.700 0.039 0.000 0.741 151 E HN 0.521 nan 8.360 nan 0.000 0.458 152 A N 1.553 124.333 122.820 -0.066 0.000 1.877 152 A HA -0.218 4.102 4.320 0.000 0.000 0.216 152 A C 2.048 179.562 177.584 -0.117 0.000 1.186 152 A CA 1.512 53.507 52.037 -0.070 0.000 0.620 152 A CB -0.368 18.588 19.000 -0.073 0.000 0.822 152 A HN 0.048 nan 8.150 nan 0.000 0.443 153 K N -1.628 118.620 120.400 -0.252 0.000 2.280 153 K HA -0.107 4.213 4.320 0.000 0.000 0.202 153 K C 0.251 176.630 176.600 -0.368 0.000 1.047 153 K CA 1.154 57.216 56.287 -0.375 0.000 0.942 153 K CB -0.164 31.982 32.500 -0.590 0.000 0.739 153 K HN 0.454 nan 8.250 nan 0.000 0.457 154 F N -0.357 119.587 119.950 -0.010 0.000 2.639 154 F HA 0.315 4.842 4.527 0.000 0.000 0.302 154 F C 1.581 177.379 175.800 -0.003 0.000 1.097 154 F CA -0.356 57.640 58.000 -0.006 0.000 1.294 154 F CB -0.116 38.881 39.000 -0.005 0.000 1.027 154 F HN -0.044 nan 8.300 nan 0.000 0.550 155 A N -0.004 122.880 122.820 0.106 0.000 1.986 155 A HA -0.283 4.037 4.320 0.000 0.000 0.220 155 A C 2.040 179.665 177.584 0.069 0.000 1.171 155 A CA 2.186 54.265 52.037 0.069 0.000 0.640 155 A CB -0.814 18.202 19.000 0.028 0.000 0.811 155 A HN 0.326 nan 8.150 nan 0.000 0.451 156 D N -0.555 119.892 120.400 0.078 0.000 2.170 156 D HA -0.183 4.457 4.640 0.000 0.000 0.193 156 D C 1.242 177.579 176.300 0.062 0.000 1.004 156 D CA 1.574 55.614 54.000 0.067 0.000 0.860 156 D CB -0.177 40.673 40.800 0.083 0.000 0.931 156 D HN 0.561 nan 8.370 nan 0.000 0.448 157 Q N -0.204 119.645 119.800 0.080 0.000 2.244 157 Q HA 0.067 4.407 4.340 0.000 0.000 0.278 157 Q C -2.004 174.017 176.000 0.035 0.000 1.093 157 Q CA -0.754 55.079 55.803 0.049 0.000 0.916 157 Q CB 1.438 30.201 28.738 0.042 0.000 1.159 157 Q HN 0.060 nan 8.270 nan 0.000 0.384 158 P HA -0.100 nan 4.420 nan 0.000 0.217 158 P C -0.348 176.960 177.300 0.013 0.000 1.151 158 P CA 0.785 63.895 63.100 0.017 0.000 0.828 158 P CB 0.216 31.922 31.700 0.011 0.000 0.788 159 N N 0.173 118.878 118.700 0.008 0.000 2.399 159 N HA 0.129 4.869 4.740 0.000 0.000 0.259 159 N C 1.080 176.595 175.510 0.008 0.000 1.160 159 N CA 0.106 53.158 53.050 0.003 0.000 0.946 159 N CB 0.760 39.244 38.487 -0.005 0.000 1.156 159 N HN -0.105 nan 8.380 nan 0.000 0.489 160 A N 5.150 127.977 122.820 0.012 0.000 1.933 160 A HA -0.121 4.199 4.320 0.000 0.000 0.218 160 A C 2.145 179.739 177.584 0.017 0.000 1.175 160 A CA 0.949 52.997 52.037 0.019 0.000 0.628 160 A CB -0.304 18.706 19.000 0.017 0.000 0.814 160 A HN 0.787 nan 8.150 nan 0.000 0.444 161 I N -0.977 119.597 120.570 0.006 0.000 2.142 161 I HA -0.238 3.932 4.170 0.000 0.000 0.240 161 I C 2.406 178.527 176.117 0.007 0.000 1.078 161 I CA 1.236 62.537 61.300 0.003 0.000 1.343 161 I CB -0.360 37.631 38.000 -0.015 0.000 1.046 161 I HN 0.347 nan 8.210 nan 0.000 0.405 162 L N 1.039 122.260 121.223 -0.003 0.000 2.079 162 L HA -0.223 4.117 4.340 0.000 0.000 0.210 162 L C 2.601 179.452 176.870 -0.031 0.000 1.081 162 L CA 1.768 56.598 54.840 -0.016 0.000 0.752 162 L CB -0.873 41.170 42.059 -0.028 0.000 0.896 162 L HN 0.126 nan 8.230 nan 0.000 0.433 163 R N -0.683 119.812 120.500 -0.008 0.000 2.080 163 R HA -0.196 4.145 4.340 0.000 0.000 0.236 163 R C 2.464 178.794 176.300 0.049 0.000 1.137 163 R CA 1.968 58.081 56.100 0.022 0.000 0.943 163 R CB -0.213 30.124 30.300 0.062 0.000 0.846 163 R HN 0.336 nan 8.270 nan 0.000 0.431 164 R N 0.171 120.702 120.500 0.052 0.000 2.096 164 R HA -0.134 4.206 4.340 0.000 0.000 0.235 164 R C 2.431 178.772 176.300 0.068 0.000 1.127 164 R CA 1.466 57.607 56.100 0.067 0.000 0.968 164 R CB -0.159 30.177 30.300 0.062 0.000 0.861 164 R HN 0.200 nan 8.270 nan 0.000 0.440 165 K N 0.954 121.387 120.400 0.055 0.000 2.025 165 K HA -0.187 4.133 4.320 0.000 0.000 0.207 165 K C 1.976 178.582 176.600 0.011 0.000 1.049 165 K CA 1.475 57.804 56.287 0.069 0.000 0.933 165 K CB 0.066 32.628 32.500 0.102 0.000 0.714 165 K HN 0.192 nan 8.250 nan 0.000 0.438 166 Q N -0.212 119.540 119.800 -0.080 0.000 2.152 166 Q HA -0.186 4.154 4.340 0.000 0.000 0.206 166 Q C 1.999 177.967 176.000 -0.052 0.000 0.985 166 Q CA 1.853 57.511 55.803 -0.240 0.000 0.863 166 Q CB -0.150 28.195 28.738 -0.654 0.000 0.904 166 Q HN 0.404 nan 8.270 nan 0.000 0.422 167 A N 0.647 123.539 122.820 0.121 0.000 1.872 167 A HA -0.150 4.170 4.320 0.000 0.000 0.214 167 A C 1.986 179.613 177.584 0.071 0.000 1.187 167 A CA 1.230 53.400 52.037 0.221 0.000 0.614 167 A CB -0.377 18.731 19.000 0.180 0.000 0.826 167 A HN 0.167 nan 8.150 nan 0.000 0.442 168 R N 0.122 120.656 120.500 0.055 0.000 2.081 168 R HA -0.206 4.134 4.340 0.000 0.000 0.235 168 R C 2.610 178.953 176.300 0.071 0.000 1.131 168 R CA 1.930 58.069 56.100 0.065 0.000 0.960 168 R CB -0.324 30.051 30.300 0.125 0.000 0.856 168 R HN 0.858 nan 8.270 nan 0.000 0.436 169 Q N -0.947 118.882 119.800 0.049 0.000 2.167 169 Q HA -0.088 4.252 4.340 0.000 0.000 0.202 169 Q C 1.787 177.811 176.000 0.041 0.000 0.970 169 Q CA 1.521 57.342 55.803 0.031 0.000 0.855 169 Q CB -0.130 28.604 28.738 -0.007 0.000 0.911 169 Q HN 0.317 nan 8.270 nan 0.000 0.438 170 A N 1.493 124.344 122.820 0.052 0.000 1.898 170 A HA 0.216 4.536 4.320 0.000 0.000 0.214 170 A C 2.428 180.026 177.584 0.022 0.000 1.183 170 A CA 1.125 53.196 52.037 0.056 0.000 0.622 170 A CB -0.775 18.292 19.000 0.111 0.000 0.824 170 A HN 0.508 nan 8.150 nan 0.000 0.444 171 A N 1.044 123.842 122.820 -0.038 0.000 1.940 171 A HA -0.214 4.106 4.320 0.000 0.000 0.219 171 A C 2.207 179.817 177.584 0.042 0.000 1.176 171 A CA 1.790 53.729 52.037 -0.163 0.000 0.631 171 A CB -0.645 17.998 19.000 -0.595 0.000 0.814 171 A HN 0.675 nan 8.150 nan 0.000 0.446 172 R N 0.004 120.608 120.500 0.174 0.000 2.261 172 R HA -0.074 4.266 4.340 0.000 0.000 0.236 172 R C 1.859 178.246 176.300 0.146 0.000 1.141 172 R CA 1.432 57.682 56.100 0.249 0.000 1.001 172 R CB -0.722 29.675 30.300 0.162 0.000 0.866 172 R HN 0.346 nan 8.270 nan 0.000 0.468 173 A N 1.844 124.721 122.820 0.095 0.000 1.986 173 A HA -0.079 4.242 4.320 0.000 0.000 0.220 173 A C 1.538 179.162 177.584 0.067 0.000 1.171 173 A CA 1.531 53.607 52.037 0.064 0.000 0.640 173 A CB -0.666 18.360 19.000 0.043 0.000 0.811 173 A HN 0.364 nan 8.150 nan 0.000 0.451 177 N N -0.470 118.230 118.700 0.001 0.000 2.272 177 N HA -0.100 4.640 4.740 0.000 0.000 0.185 177 N C 1.410 176.920 175.510 0.001 0.000 1.014 177 N CA 1.236 54.288 53.050 0.003 0.000 0.870 177 N CB -0.028 38.457 38.487 -0.003 0.000 0.975 177 N HN 0.500 nan 8.380 nan 0.000 0.433 178 A N 0.369 123.185 122.820 -0.006 0.000 2.169 178 A HA 0.048 4.368 4.320 0.000 0.000 0.212 178 A C 0.817 178.393 177.584 -0.014 0.000 1.153 178 A CA 0.223 52.255 52.037 -0.009 0.000 0.756 178 A CB -0.140 18.853 19.000 -0.011 0.000 0.813 178 A HN 0.083 nan 8.150 nan 0.000 0.471 179 T N 1.846 116.390 114.554 -0.017 0.000 2.891 179 T HA 0.033 4.383 4.350 0.000 0.000 0.296 179 T C 0.196 174.883 174.700 -0.021 0.000 1.025 179 T CA 0.193 62.278 62.100 -0.026 0.000 1.149 179 T CB 0.320 69.169 68.868 -0.031 0.000 1.007 179 T HN 0.524 nan 8.240 nan 0.000 0.528 180 E N 1.454 121.638 120.200 -0.026 0.000 2.392 180 E HA 0.183 4.533 4.350 0.000 0.000 0.264 180 E C 0.067 176.654 176.600 -0.022 0.000 1.024 180 E CA 0.003 56.388 56.400 -0.025 0.000 0.903 180 E CB 0.725 30.409 29.700 -0.028 0.000 0.963 180 E HN 0.617 nan 8.360 nan 0.000 0.432 181 T N 3.093 117.634 114.554 -0.021 0.000 2.888 181 T HA 0.627 4.977 4.350 0.000 0.000 0.288 181 T C -1.115 173.570 174.700 -0.025 0.000 1.063 181 T CA -0.665 61.427 62.100 -0.013 0.000 1.010 181 T CB 0.910 69.773 68.868 -0.009 0.000 1.214 181 T HN 0.490 nan 8.240 nan 0.000 0.533 182 R N 1.140 121.640 120.500 0.000 0.000 2.621 182 R HA 0.760 5.100 4.340 0.000 0.000 0.284 182 R C -1.379 174.972 176.300 0.084 0.000 0.998 182 R CA -0.765 55.325 56.100 -0.017 0.000 0.895 182 R CB 2.173 32.493 30.300 0.032 0.000 1.195 182 R HN 0.623 nan 8.270 nan 0.000 0.450 183 I N 1.712 122.332 120.570 0.082 0.000 2.722 183 I HA 0.293 4.463 4.170 0.000 0.000 0.292 183 I C -1.343 174.935 176.117 0.267 0.000 1.267 183 I CA -0.991 60.409 61.300 0.166 0.000 1.036 183 I CB 2.252 40.306 38.000 0.091 0.000 1.281 183 I HN 0.325 nan 8.210 nan 0.000 0.423 184 V N 7.480 127.569 119.914 0.291 0.000 2.432 184 V HA 0.419 4.539 4.120 0.000 0.000 0.275 184 V C -0.307 175.894 176.094 0.179 0.000 1.043 184 V CA -0.407 62.049 62.300 0.259 0.000 0.925 184 V CB 1.398 33.321 31.823 0.167 0.000 0.985 184 V HN 0.427 nan 8.190 nan 0.000 0.466 185 V N 4.154 124.159 119.914 0.151 0.000 2.487 185 V HA 0.520 4.640 4.120 0.000 0.000 0.298 185 V C 0.053 176.152 176.094 0.007 0.000 1.028 185 V CA -0.340 61.946 62.300 -0.024 0.000 0.860 185 V CB 2.075 33.824 31.823 -0.124 0.000 0.991 185 V HN 0.912 nan 8.190 nan 0.000 0.427 186 T N 3.319 117.798 114.554 -0.126 0.000 2.829 186 T HA 0.811 5.161 4.350 0.000 0.000 0.280 186 T C 0.140 174.858 174.700 0.029 0.000 0.999 186 T CA -0.470 61.647 62.100 0.029 0.000 0.983 186 T CB 1.761 70.642 68.868 0.022 0.000 0.968 186 T HN 1.070 nan 8.240 nan 0.000 0.446 187 G N 2.217 111.152 108.800 0.226 0.000 2.718 187 G HA2 0.546 4.506 3.960 0.000 0.000 0.295 187 G HA3 0.546 4.506 3.960 0.000 0.000 0.295 187 G C -0.927 174.170 174.900 0.329 0.000 1.421 187 G CA -1.060 44.135 45.100 0.158 0.000 0.902 187 G HN 0.740 nan 8.290 nan 0.000 0.501 188 N N -0.642 118.178 118.700 0.199 0.000 2.408 188 N HA 0.204 4.944 4.740 0.000 0.000 0.260 188 N C 0.747 176.559 175.510 0.504 0.000 1.242 188 N CA -0.608 52.588 53.050 0.243 0.000 0.959 188 N CB 0.627 39.154 38.487 0.066 0.000 1.201 188 N HN 0.363 nan 8.380 nan 0.000 0.511 189 Y N -0.847 119.691 120.300 0.397 0.000 2.207 189 Y HA -0.077 4.473 4.550 0.000 0.000 0.287 189 Y C 2.503 178.626 175.900 0.371 0.000 1.156 189 Y CA 1.074 59.467 58.100 0.488 0.000 1.182 189 Y CB -0.624 38.017 38.460 0.302 0.000 0.979 189 Y HN 0.644 nan 8.280 nan 0.000 0.521 190 R N 0.084 120.801 120.500 0.363 0.000 2.066 190 R HA -0.110 4.230 4.340 0.000 0.000 0.232 190 R C 2.413 178.809 176.300 0.160 0.000 1.131 190 R CA 1.181 57.401 56.100 0.201 0.000 0.955 190 R CB -0.308 30.044 30.300 0.086 0.000 0.851 190 R HN 0.243 nan 8.270 nan 0.000 0.432 191 A N 0.137 123.001 122.820 0.073 0.000 1.908 191 A HA -0.190 4.130 4.320 0.000 0.000 0.218 191 A C 1.892 179.481 177.584 0.008 0.000 1.181 191 A CA 1.360 53.313 52.037 -0.140 0.000 0.627 191 A CB -1.016 17.722 19.000 -0.437 0.000 0.818 191 A HN 0.586 nan 8.150 nan 0.000 0.445 192 W N -0.346 121.193 121.300 0.397 0.000 2.381 192 W HA -0.092 4.568 4.660 0.000 0.000 0.301 192 W C 2.675 179.498 176.519 0.506 0.000 1.205 192 W CA 1.215 58.906 57.345 0.575 0.000 1.285 192 W CB -0.132 29.704 29.460 0.627 0.000 1.133 192 W HN 0.242 nan 8.180 nan 0.000 0.521 193 R N -0.761 120.158 120.500 0.699 0.000 2.083 193 R HA -0.221 4.119 4.340 0.000 0.000 0.237 193 R C 2.196 178.727 176.300 0.387 0.000 1.137 193 R CA 1.775 58.197 56.100 0.536 0.000 0.951 193 R CB -1.142 29.371 30.300 0.355 0.000 0.851 193 R HN 0.348 nan 8.270 nan 0.000 0.434 194 H N 0.019 119.207 119.070 0.196 0.000 2.353 194 H HA -0.165 4.391 4.556 0.000 0.000 0.300 194 H C 1.970 177.369 175.328 0.119 0.000 1.090 194 H CA 1.793 57.911 56.048 0.116 0.000 1.327 194 H CB -0.112 29.674 29.762 0.040 0.000 1.383 194 H HN 0.148 nan 8.280 nan 0.000 0.508 195 F N 1.426 121.332 119.950 -0.073 0.000 2.091 195 F HA -0.216 4.311 4.527 0.000 0.000 0.299 195 F C 2.407 178.160 175.800 -0.079 0.000 1.103 195 F CA 1.604 59.480 58.000 -0.207 0.000 1.228 195 F CB -0.710 38.305 39.000 0.025 0.000 0.984 195 F HN 0.089 nan 8.300 nan 0.000 0.477 196 I N 0.312 120.821 120.570 -0.101 0.000 2.179 196 I HA -0.200 3.970 4.170 0.000 0.000 0.242 196 I C 1.998 177.938 176.117 -0.295 0.000 1.088 196 I CA 0.641 61.730 61.300 -0.351 0.000 1.357 196 I CB -1.181 36.521 38.000 -0.497 0.000 1.051 196 I HN 0.235 nan 8.210 nan 0.000 0.409 200 A N 2.029 124.698 122.820 -0.251 0.000 2.988 200 A HA 0.422 4.742 4.320 0.000 0.000 0.288 200 A C 0.351 177.877 177.584 -0.095 0.000 1.385 200 A CA 0.255 52.190 52.037 -0.170 0.000 1.001 200 A CB -0.312 18.573 19.000 -0.192 0.000 1.071 200 A HN 0.198 nan 8.150 nan 0.000 0.608 201 S N -1.166 114.484 115.700 -0.082 0.000 2.634 201 S HA 0.391 4.861 4.470 0.000 0.000 0.296 201 S C 0.650 175.177 174.600 -0.122 0.000 1.104 201 S CA 0.039 58.193 58.200 -0.077 0.000 0.920 201 S CB 1.254 64.444 63.200 -0.016 0.000 1.111 201 S HN 0.511 nan 8.310 nan 0.000 0.493 202 E N 0.207 120.271 120.200 -0.226 0.000 2.338 202 E HA -0.183 4.167 4.350 0.000 0.000 0.197 202 E C 0.757 177.211 176.600 -0.243 0.000 1.007 202 E CA 0.970 57.227 56.400 -0.239 0.000 0.849 202 E CB -0.513 29.033 29.700 -0.257 0.000 0.774 202 E HN 0.785 nan 8.360 nan 0.000 0.506 203 H N 1.077 120.140 119.070 -0.011 0.000 2.502 203 H HA 0.241 4.797 4.556 0.000 0.000 0.283 203 H C 0.975 176.297 175.328 -0.010 0.000 1.015 203 H CA 0.766 56.809 56.048 -0.008 0.000 1.298 203 H CB -0.166 29.593 29.762 -0.005 0.000 1.411 203 H HN 0.272 nan 8.280 nan 0.000 0.556 204 A N 1.504 124.363 122.820 0.065 0.000 2.351 204 A HA 0.045 4.365 4.320 0.000 0.000 0.257 204 A C 0.358 177.952 177.584 0.016 0.000 1.087 204 A CA -0.501 51.557 52.037 0.034 0.000 0.798 204 A CB 0.382 19.380 19.000 -0.004 0.000 1.033 204 A HN 0.154 nan 8.150 nan 0.000 0.488 205 D N 0.696 121.109 120.400 0.022 0.000 2.488 205 D HA 0.030 4.670 4.640 0.000 0.000 0.238 205 D C 1.687 177.988 176.300 0.002 0.000 1.138 205 D CA 0.635 54.644 54.000 0.014 0.000 0.873 205 D CB 1.025 41.838 40.800 0.022 0.000 1.183 205 D HN 0.428 nan 8.370 nan 0.000 0.458 206 V N 1.875 121.786 119.914 -0.005 0.000 2.568 206 V HA -0.182 3.938 4.120 0.000 0.000 0.253 206 V C 2.001 178.089 176.094 -0.010 0.000 1.072 206 V CA 1.858 64.150 62.300 -0.013 0.000 1.084 206 V CB -0.601 31.214 31.823 -0.014 0.000 0.676 206 V HN 0.649 nan 8.190 nan 0.000 0.469 207 E N 0.179 120.380 120.200 0.001 0.000 2.072 207 E HA -0.143 4.207 4.350 0.000 0.000 0.190 207 E C 2.138 178.749 176.600 0.019 0.000 0.982 207 E CA 1.515 57.919 56.400 0.006 0.000 0.803 207 E CB -0.084 29.623 29.700 0.011 0.000 0.755 207 E HN 0.709 nan 8.360 nan 0.000 0.453 208 I N 0.538 121.128 120.570 0.034 0.000 2.500 208 I HA -0.182 3.988 4.170 0.000 0.000 0.252 208 I C 2.641 178.762 176.117 0.006 0.000 1.142 208 I CA 0.534 61.873 61.300 0.066 0.000 1.451 208 I CB -0.046 38.022 38.000 0.113 0.000 1.093 208 I HN 0.043 nan 8.210 nan 0.000 0.430 209 R N 0.769 121.250 120.500 -0.031 0.000 2.083 209 R HA -0.261 4.079 4.340 0.000 0.000 0.237 209 R C 2.510 178.771 176.300 -0.066 0.000 1.137 209 R CA 1.935 57.992 56.100 -0.072 0.000 0.951 209 R CB -0.316 29.949 30.300 -0.058 0.000 0.851 209 R HN 0.304 nan 8.270 nan 0.000 0.434 210 R N 0.289 120.766 120.500 -0.040 0.000 2.081 210 R HA -0.159 4.181 4.340 0.000 0.000 0.235 210 R C 2.358 178.633 176.300 -0.043 0.000 1.131 210 R CA 1.491 57.566 56.100 -0.042 0.000 0.960 210 R CB -0.332 29.949 30.300 -0.031 0.000 0.856 210 R HN 0.246 nan 8.270 nan 0.000 0.436 211 L N 0.591 121.809 121.223 -0.009 0.000 2.017 211 L HA -0.050 4.290 4.340 0.000 0.000 0.208 211 L C 2.247 179.138 176.870 0.035 0.000 1.073 211 L CA 2.207 57.058 54.840 0.017 0.000 0.745 211 L CB -0.712 41.410 42.059 0.106 0.000 0.894 211 L HN 0.226 nan 8.230 nan 0.000 0.432 212 A N -0.312 122.523 122.820 0.026 0.000 1.933 212 A HA -0.162 4.158 4.320 0.000 0.000 0.218 212 A C 2.176 179.691 177.584 -0.115 0.000 1.175 212 A CA 1.887 53.887 52.037 -0.062 0.000 0.628 212 A CB -0.758 17.989 19.000 -0.422 0.000 0.814 212 A HN 0.468 nan 8.150 nan 0.000 0.444 213 I N -0.302 120.195 120.570 -0.122 0.000 2.252 213 I HA -0.159 4.011 4.170 0.000 0.000 0.245 213 I C 2.439 178.472 176.117 -0.140 0.000 1.102 213 I CA 1.868 63.092 61.300 -0.126 0.000 1.385 213 I CB -1.207 36.737 38.000 -0.093 0.000 1.064 213 I HN 0.444 nan 8.210 nan 0.000 0.414 214 E N 0.857 120.971 120.200 -0.142 0.000 2.110 214 E HA -0.178 4.173 4.350 0.000 0.000 0.193 214 E C 2.374 178.797 176.600 -0.294 0.000 0.988 214 E CA 1.514 57.805 56.400 -0.182 0.000 0.804 214 E CB -0.250 29.349 29.700 -0.168 0.000 0.745 214 E HN 0.435 nan 8.360 nan 0.000 0.458 215 C N 0.043 119.128 119.300 -0.358 0.000 2.432 215 C HA -0.057 4.403 4.460 0.000 0.000 0.277 215 C C 2.578 177.304 174.990 -0.440 0.000 1.249 215 C CA 0.712 59.370 59.018 -0.599 0.000 1.725 215 C CB -1.198 26.250 27.740 -0.485 0.000 2.028 215 C HN 0.546 nan 8.230 nan 0.000 0.477 216 L N 1.632 122.673 121.223 -0.304 0.000 2.012 216 L HA -0.160 4.180 4.340 0.000 0.000 0.210 216 L C 2.660 179.375 176.870 -0.257 0.000 1.073 216 L CA 1.899 56.553 54.840 -0.310 0.000 0.748 216 L CB -0.737 41.175 42.059 -0.245 0.000 0.891 216 L HN 0.256 nan 8.230 nan 0.000 0.431 217 R N -0.875 119.512 120.500 -0.188 0.000 2.105 217 R HA -0.166 4.174 4.340 0.000 0.000 0.239 217 R C 2.222 178.444 176.300 -0.129 0.000 1.135 217 R CA 1.853 57.877 56.100 -0.126 0.000 0.967 217 R CB -0.372 29.869 30.300 -0.098 0.000 0.861 217 R HN 0.634 nan 8.270 nan 0.000 0.442 218 Q N 0.227 119.928 119.800 -0.166 0.000 2.137 218 Q HA -0.020 4.320 4.340 0.000 0.000 0.198 218 Q C 2.280 178.203 176.000 -0.128 0.000 0.960 218 Q CA 0.809 56.558 55.803 -0.089 0.000 0.847 218 Q CB 0.058 28.799 28.738 0.005 0.000 0.915 218 Q HN 0.311 nan 8.270 nan 0.000 0.448 219 L N 0.414 121.457 121.223 -0.301 0.000 2.046 219 L HA -0.150 4.190 4.340 0.000 0.000 0.208 219 L C 2.487 179.103 176.870 -0.423 0.000 1.077 219 L CA 1.080 55.578 54.840 -0.571 0.000 0.747 219 L CB -0.550 40.732 42.059 -1.295 0.000 0.896 219 L HN 0.174 nan 8.230 nan 0.000 0.432 220 A N -0.190 122.462 122.820 -0.280 0.000 2.076 220 A HA -0.151 4.169 4.320 0.000 0.000 0.220 220 A C 2.441 180.032 177.584 0.012 0.000 1.160 220 A CA 1.687 53.719 52.037 -0.008 0.000 0.653 220 A CB -0.582 18.440 19.000 0.036 0.000 0.801 220 A HN 0.428 nan 8.150 nan 0.000 0.455 221 A N -0.978 121.824 122.820 -0.030 0.000 1.970 221 A HA 0.176 4.496 4.320 0.000 0.000 0.216 221 A C 2.145 179.739 177.584 0.016 0.000 1.170 221 A CA 1.410 53.447 52.037 -0.001 0.000 0.645 221 A CB -0.475 18.519 19.000 -0.010 0.000 0.816 221 A HN 0.308 nan 8.150 nan 0.000 0.447 222 V N -0.932 118.983 119.914 0.001 0.000 2.346 222 V HA 0.128 4.248 4.120 0.000 0.000 0.244 222 V C 1.540 177.683 176.094 0.082 0.000 1.037 222 V CA 1.590 63.913 62.300 0.038 0.000 1.029 222 V CB -0.322 31.516 31.823 0.025 0.000 0.663 222 V HN 0.545 nan 8.190 nan 0.000 0.454 223 A N -0.511 122.357 122.820 0.081 0.000 3.105 223 A HA 0.581 4.901 4.320 0.000 0.000 0.336 223 A C -1.702 175.979 177.584 0.162 0.000 1.042 223 A CA -1.009 51.093 52.037 0.108 0.000 0.851 223 A CB 0.472 19.439 19.000 -0.053 0.000 1.068 223 A HN 0.272 nan 8.150 nan 0.000 0.477 224 P HA -0.293 nan 4.420 nan 0.000 0.217 224 P C 1.918 179.289 177.300 0.119 0.000 1.162 224 P CA 2.642 65.814 63.100 0.120 0.000 0.901 224 P CB 0.303 32.055 31.700 0.087 0.000 0.793 225 A N -0.950 121.926 122.820 0.093 0.000 1.902 225 A HA -0.172 4.148 4.320 0.000 0.000 0.217 225 A C 2.346 179.949 177.584 0.033 0.000 1.181 225 A CA 2.008 54.087 52.037 0.070 0.000 0.623 225 A CB -1.691 17.358 19.000 0.083 0.000 0.818 225 A HN 0.066 nan 8.150 nan 0.000 0.443 226 V N -1.973 117.933 119.914 -0.014 0.000 2.427 226 V HA -0.159 3.962 4.120 0.000 0.000 0.248 226 V C 1.885 177.756 176.094 -0.372 0.000 1.051 226 V CA 1.768 63.933 62.300 -0.226 0.000 1.048 226 V CB -0.752 30.802 31.823 -0.447 0.000 0.666 226 V HN 0.585 nan 8.190 nan 0.000 0.456 227 F N -0.598 119.394 119.950 0.070 0.000 2.704 227 F HA 0.445 4.972 4.527 0.000 0.000 0.304 227 F C 2.106 178.029 175.800 0.205 0.000 1.094 227 F CA 0.460 58.573 58.000 0.189 0.000 1.275 227 F CB -0.360 38.708 39.000 0.113 0.000 1.073 227 F HN 0.012 nan 8.300 nan 0.000 0.586 228 A N 0.881 123.833 122.820 0.220 0.000 1.948 228 A HA -0.262 4.058 4.320 0.000 0.000 0.220 228 A C 2.040 179.693 177.584 0.114 0.000 1.177 228 A CA 2.194 54.321 52.037 0.149 0.000 0.636 228 A CB -0.832 18.221 19.000 0.089 0.000 0.815 228 A HN 0.484 nan 8.150 nan 0.000 0.449 229 D N -1.201 119.228 120.400 0.047 0.000 2.351 229 D HA -0.092 4.548 4.640 0.000 0.000 0.216 229 D C 0.109 176.346 176.300 -0.106 0.000 0.968 229 D CA 0.234 54.194 54.000 -0.065 0.000 0.899 229 D CB -0.435 40.265 40.800 -0.168 0.000 0.907 229 D HN 0.429 nan 8.370 nan 0.000 0.514 230 F N 1.469 121.464 119.950 0.074 0.000 2.420 230 F HA 0.209 4.736 4.527 0.000 0.000 0.352 230 F C 1.073 176.902 175.800 0.048 0.000 1.108 230 F CA -0.411 57.630 58.000 0.069 0.000 1.162 230 F CB 0.979 40.044 39.000 0.108 0.000 1.118 230 F HN -0.307 nan 8.300 nan 0.000 0.510 231 E N 3.587 123.915 120.200 0.215 0.000 2.113 231 E HA 0.237 4.588 4.350 0.000 0.000 0.273 231 E C -0.908 175.756 176.600 0.106 0.000 0.924 231 E CA -0.511 55.962 56.400 0.122 0.000 0.764 231 E CB 2.083 31.824 29.700 0.069 0.000 1.104 231 E HN 0.248 nan 8.360 nan 0.000 0.406 232 V N 3.926 123.886 119.914 0.076 0.000 2.427 232 V HA 0.128 4.248 4.120 0.000 0.000 0.268 232 V C 0.562 176.670 176.094 0.024 0.000 1.046 232 V CA -0.105 62.218 62.300 0.039 0.000 0.970 232 V CB 0.510 32.344 31.823 0.018 0.000 1.001 232 V HN 0.642 nan 8.190 nan 0.000 0.476 233 T N 0.930 115.494 114.554 0.016 0.000 2.807 233 T HA 0.493 4.843 4.350 0.000 0.000 0.279 233 T C -0.177 174.519 174.700 -0.006 0.000 0.993 233 T CA -0.662 61.442 62.100 0.006 0.000 0.970 233 T CB 1.384 70.256 68.868 0.007 0.000 0.950 233 T HN 0.505 nan 8.240 nan 0.000 0.441 234 T N 4.404 118.954 114.554 -0.007 0.000 2.780 234 T HA 0.438 4.788 4.350 0.000 0.000 0.294 234 T C 0.444 175.135 174.700 -0.014 0.000 0.949 234 T CA -0.628 61.464 62.100 -0.012 0.000 1.074 234 T CB 0.283 69.144 68.868 -0.011 0.000 0.910 234 T HN 0.486 nan 8.240 nan 0.000 0.501 235 L N 1.971 123.183 121.223 -0.019 0.000 2.439 235 L HA 0.418 4.758 4.340 0.000 0.000 0.259 235 L C 2.019 178.879 176.870 -0.017 0.000 1.129 235 L CA -0.852 53.975 54.840 -0.021 0.000 0.803 235 L CB 0.278 42.320 42.059 -0.029 0.000 1.161 235 L HN 0.782 nan 8.230 nan 0.000 0.462 236 A N 1.036 123.847 122.820 -0.016 0.000 1.940 236 A HA -0.256 4.064 4.320 0.000 0.000 0.221 236 A C 1.595 179.172 177.584 -0.012 0.000 1.190 236 A CA 2.197 54.227 52.037 -0.013 0.000 0.647 236 A CB -0.713 18.280 19.000 -0.011 0.000 0.821 236 A HN 0.946 nan 8.150 nan 0.000 0.457 237 D N -2.172 118.219 120.400 -0.015 0.000 2.349 237 D HA 0.253 4.893 4.640 0.000 0.000 0.224 237 D C 1.196 177.487 176.300 -0.015 0.000 1.029 237 D CA 1.079 55.070 54.000 -0.014 0.000 0.879 237 D CB -0.674 40.117 40.800 -0.015 0.000 0.906 237 D HN 0.947 nan 8.370 nan 0.000 0.528 238 G N 0.225 109.016 108.800 -0.015 0.000 2.199 238 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 238 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 238 G C 0.546 175.434 174.900 -0.019 0.000 0.982 238 G CA 0.639 45.730 45.100 -0.015 0.000 0.632 238 G HN 0.793 nan 8.290 nan 0.000 0.529 239 T N -1.222 113.319 114.554 -0.022 0.000 2.849 239 T HA 0.650 5.000 4.350 0.000 0.000 0.284 239 T C -0.096 174.586 174.700 -0.029 0.000 1.004 239 T CA -0.082 62.002 62.100 -0.027 0.000 1.021 239 T CB 2.165 71.016 68.868 -0.029 0.000 1.013 239 T HN 0.390 nan 8.240 nan 0.000 0.527 240 E N 0.170 120.350 120.200 -0.034 0.000 2.227 240 E HA 0.655 5.005 4.350 0.000 0.000 0.268 240 E C -1.143 175.432 176.600 -0.041 0.000 0.907 240 E CA -1.062 55.318 56.400 -0.033 0.000 0.786 240 E CB 2.387 32.068 29.700 -0.032 0.000 1.191 240 E HN 0.382 nan 8.360 nan 0.000 0.411 241 V N 1.019 120.914 119.914 -0.033 0.000 2.914 241 V HA 0.757 4.877 4.120 0.000 0.000 0.314 241 V C -0.914 175.177 176.094 -0.004 0.000 1.084 241 V CA -0.642 61.638 62.300 -0.034 0.000 0.963 241 V CB 2.008 33.806 31.823 -0.041 0.000 1.025 241 V HN 0.817 nan 8.190 nan 0.000 0.432 242 A N 2.132 124.960 122.820 0.013 0.000 2.401 242 A HA 0.976 5.296 4.320 0.000 0.000 0.310 242 A C -0.451 177.244 177.584 0.185 0.000 1.075 242 A CA -0.494 51.602 52.037 0.097 0.000 0.746 242 A CB 1.853 20.884 19.000 0.052 0.000 1.277 242 A HN 0.823 nan 8.150 nan 0.000 0.425 243 T N 0.091 114.788 114.554 0.239 0.000 2.894 243 T HA 0.725 5.075 4.350 0.000 0.000 0.309 243 T C -0.245 174.493 174.700 0.063 0.000 1.208 243 T CA -0.552 61.645 62.100 0.162 0.000 1.016 243 T CB 1.698 70.606 68.868 0.067 0.000 1.192 243 T HN 0.891 nan 8.240 nan 0.000 0.491 244 S N 0.000 115.643 115.700 -0.094 0.000 2.498 244 S HA 0.000 4.470 4.470 0.000 0.000 0.327 244 S CA 0.000 58.032 58.200 -0.279 0.000 1.107 244 S CB 0.000 62.766 63.200 -0.723 0.000 0.593 244 S HN 0.000 nan 8.310 nan 0.000 0.517