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 3dej_1_A DATA FIRST_RESID 34 DATA SEQUENCE DNSYKMDYPE MGLCIIINNK NFHKSTGMTS RSGTDVDAAN LRETFRNLKY DATA SEQUENCE EVRNKNDLTR EEIVELMRDV SKEDHSKRSS FVCVLLSHGE EGIIFGTNGP DATA SEQUENCE VDLKKITNFF RGDRCRSLTG KPKLFIIQAX RGTELDCGIE TXXXXXXXXX DATA SEQUENCE XXKIPVDADF LYAYSTAPGY YSWRNSKDGS WFIQSLCAML KQYADKLEFM DATA SEQUENCE HILTRVNRKV ATEFESFSFD ATFHAKKQIP CIVSMLTKEL YFYH 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 34 D HA 0.000 nan 4.640 nan 0.000 0.175 34 D C 0.000 176.264 176.300 -0.060 0.000 2.045 34 D CA 0.000 53.979 54.000 -0.035 0.000 0.868 34 D CB 0.000 40.783 40.800 -0.028 0.000 0.688 35 N N -0.832 117.840 118.700 -0.047 0.000 2.409 35 N HA 0.126 4.878 4.740 0.019 0.000 0.174 35 N C -0.133 175.333 175.510 -0.073 0.000 1.037 35 N CA 0.074 53.094 53.050 -0.050 0.000 0.898 35 N CB 0.494 38.977 38.487 -0.007 0.000 1.010 35 N HN 0.101 nan 8.380 nan 0.000 0.445 36 S N -0.450 115.224 115.700 -0.044 0.000 2.503 36 S HA 0.350 4.831 4.470 0.019 0.000 0.301 36 S C -0.981 173.595 174.600 -0.040 0.000 1.087 36 S CA -0.734 57.468 58.200 0.003 0.000 1.042 36 S CB 0.389 63.669 63.200 0.134 0.000 1.043 36 S HN 0.058 nan 8.310 nan 0.000 0.489 37 Y N 2.562 122.878 120.300 0.026 0.000 2.578 37 Y HA 0.148 4.708 4.550 0.016 0.000 0.339 37 Y C 1.076 177.002 175.900 0.044 0.000 1.231 37 Y CA 0.413 58.526 58.100 0.022 0.000 1.461 37 Y CB 0.456 38.907 38.460 -0.015 0.000 1.323 37 Y HN 0.536 nan 8.280 nan 0.000 0.590 38 K N 3.664 124.220 120.400 0.260 0.000 2.351 38 K HA 0.055 4.387 4.320 0.019 0.000 0.287 38 K C -0.297 176.455 176.600 0.254 0.000 1.068 38 K CA -0.055 56.352 56.287 0.201 0.000 0.998 38 K CB 0.054 32.675 32.500 0.201 0.000 0.968 38 K HN 0.627 nan 8.250 nan 0.000 0.464 39 M N 3.739 123.435 119.600 0.160 0.000 2.655 39 M HA 0.065 4.557 4.480 0.019 0.000 0.311 39 M C -0.348 176.028 176.300 0.125 0.000 1.229 39 M CA 0.053 55.439 55.300 0.142 0.000 0.972 39 M CB -0.128 32.515 32.600 0.072 0.000 1.366 39 M HN 0.530 nan 8.290 nan 0.000 0.500 40 D N -1.714 118.746 120.400 0.100 0.000 2.538 40 D HA 0.081 4.733 4.640 0.019 0.000 0.231 40 D C -0.115 176.180 176.300 -0.007 0.000 1.229 40 D CA -0.346 53.674 54.000 0.034 0.000 0.828 40 D CB -0.237 40.557 40.800 -0.011 0.000 1.035 40 D HN 0.032 nan 8.370 nan 0.000 0.495 41 Y N 0.861 121.163 120.300 0.003 0.000 2.459 41 Y HA 0.150 4.703 4.550 0.004 0.000 0.349 41 Y C -0.775 175.121 175.900 -0.006 0.000 1.266 41 Y CA -1.398 56.702 58.100 0.001 0.000 1.483 41 Y CB 0.023 38.485 38.460 0.003 0.000 1.362 41 Y HN -0.104 nan 8.280 nan 0.000 0.628 42 P HA -0.175 nan 4.420 nan 0.000 0.217 42 P C -0.696 176.642 177.300 0.063 0.000 1.151 42 P CA 1.729 64.878 63.100 0.081 0.000 0.849 42 P CB 0.283 32.029 31.700 0.076 0.000 0.787 43 E N -2.670 117.574 120.200 0.073 0.000 2.317 43 E HA 0.235 4.596 4.350 0.019 0.000 0.270 43 E C 0.724 177.297 176.600 -0.045 0.000 0.885 43 E CA -0.799 55.605 56.400 0.007 0.000 0.760 43 E CB 1.253 30.954 29.700 0.003 0.000 1.227 43 E HN -0.234 nan 8.360 nan 0.000 0.434 44 M N 0.687 120.183 119.600 -0.174 0.000 2.065 44 M HA 0.010 4.501 4.480 0.019 0.000 0.259 44 M C 0.986 177.056 176.300 -0.383 0.000 1.071 44 M CA 1.945 57.000 55.300 -0.408 0.000 1.109 44 M CB -1.069 31.014 32.600 -0.862 0.000 1.313 44 M HN 0.821 nan 8.290 nan 0.000 0.408 45 G N -1.149 107.495 108.800 -0.261 0.000 2.369 45 G HA2 0.236 4.207 3.960 0.019 0.000 0.295 45 G HA3 0.236 4.207 3.960 0.019 0.000 0.295 45 G C -1.785 173.265 174.900 0.249 0.000 1.298 45 G CA -1.104 44.033 45.100 0.062 0.000 0.940 45 G HN 0.167 nan 8.290 nan 0.000 0.536 46 L N -0.117 121.290 121.223 0.307 0.000 2.417 46 L HA 0.590 4.942 4.340 0.019 0.000 0.268 46 L C 0.811 177.682 176.870 0.001 0.000 1.158 46 L CA -0.228 54.751 54.840 0.232 0.000 0.819 46 L CB 1.393 43.673 42.059 0.369 0.000 1.112 46 L HN 0.824 nan 8.230 nan 0.000 0.458 47 C N 5.278 124.502 119.300 -0.128 0.000 2.521 47 C HA 0.594 5.065 4.460 0.019 0.000 0.291 47 C C -0.182 174.587 174.990 -0.369 0.000 1.074 47 C CA -0.781 57.940 59.018 -0.494 0.000 1.495 47 C CB -1.272 26.096 27.740 -0.619 0.000 1.862 47 C HN 0.609 nan 8.230 nan 0.000 0.418 48 I N 6.153 126.495 120.570 -0.381 0.000 2.416 48 I HA 0.371 4.553 4.170 0.019 0.000 0.288 48 I C 0.343 176.313 176.117 -0.245 0.000 1.051 48 I CA 0.406 61.587 61.300 -0.199 0.000 1.375 48 I CB 0.902 38.881 38.000 -0.035 0.000 1.407 48 I HN 0.492 nan 8.210 nan 0.000 0.516 49 I N 7.838 128.312 120.570 -0.160 0.000 2.390 49 I HA 0.322 4.503 4.170 0.019 0.000 0.283 49 I C -0.582 175.497 176.117 -0.064 0.000 1.016 49 I CA -0.552 60.665 61.300 -0.138 0.000 1.151 49 I CB 0.901 38.822 38.000 -0.131 0.000 1.293 49 I HN 0.347 nan 8.210 nan 0.000 0.458 50 I N 6.590 127.138 120.570 -0.037 0.000 2.301 50 I HA 0.168 4.349 4.170 0.019 0.000 0.292 50 I C 0.423 176.540 176.117 -0.001 0.000 1.046 50 I CA 0.214 61.512 61.300 -0.003 0.000 1.282 50 I CB 0.413 38.433 38.000 0.033 0.000 1.409 50 I HN 0.549 nan 8.210 nan 0.000 0.484 51 N N 5.890 124.582 118.700 -0.013 0.000 2.569 51 N HA 0.284 5.035 4.740 0.019 0.000 0.254 51 N C -1.178 174.310 175.510 -0.037 0.000 1.004 51 N CA -0.595 52.448 53.050 -0.012 0.000 0.904 51 N CB 0.616 39.094 38.487 -0.015 0.000 1.165 51 N HN 0.450 nan 8.380 nan 0.000 0.513 52 N N 3.061 121.740 118.700 -0.036 0.000 2.457 52 N HA 0.107 4.859 4.740 0.019 0.000 0.250 52 N C 0.564 175.997 175.510 -0.128 0.000 0.982 52 N CA -0.286 52.665 53.050 -0.165 0.000 0.941 52 N CB 2.079 40.421 38.487 -0.242 0.000 1.120 52 N HN 0.647 nan 8.380 nan 0.000 0.505 53 K N 1.933 122.241 120.400 -0.153 0.000 2.172 53 K HA 0.188 4.520 4.320 0.019 0.000 0.203 53 K C -0.281 176.334 176.600 0.025 0.000 1.040 53 K CA 0.572 56.853 56.287 -0.009 0.000 0.974 53 K CB 0.359 32.856 32.500 -0.004 0.000 0.857 53 K HN 0.380 nan 8.250 nan 0.000 0.464 54 N N 0.653 119.258 118.700 -0.158 0.000 2.400 54 N HA 0.220 4.971 4.740 0.019 0.000 0.288 54 N C -1.232 174.127 175.510 -0.250 0.000 1.024 54 N CA -0.280 52.750 53.050 -0.033 0.000 0.894 54 N CB 1.304 39.798 38.487 0.012 0.000 1.173 54 N HN -0.048 nan 8.380 nan 0.000 0.487 55 F N 0.031 120.038 119.950 0.095 0.000 2.538 55 F HA 0.342 4.880 4.527 0.019 0.000 0.325 55 F C 1.148 177.056 175.800 0.180 0.000 1.066 55 F CA -0.741 57.309 58.000 0.084 0.000 0.946 55 F CB 0.998 40.036 39.000 0.064 0.000 1.199 55 F HN 0.279 nan 8.300 nan 0.000 0.473 56 H N 0.591 119.779 119.070 0.197 0.000 2.707 56 H HA 0.073 4.640 4.556 0.019 0.000 0.359 56 H C 0.767 176.157 175.328 0.104 0.000 1.113 56 H CA -0.476 55.641 56.048 0.115 0.000 1.422 56 H CB 1.194 31.010 29.762 0.090 0.000 1.443 56 H HN 0.501 nan 8.280 nan 0.000 0.591 57 K N 1.040 121.547 120.400 0.178 0.000 2.113 57 K HA -0.167 4.164 4.320 0.019 0.000 0.208 57 K C 1.945 178.597 176.600 0.087 0.000 1.047 57 K CA 1.733 58.081 56.287 0.101 0.000 0.928 57 K CB -0.168 32.366 32.500 0.055 0.000 0.716 57 K HN 0.602 nan 8.250 nan 0.000 0.446 58 S N -1.097 114.666 115.700 0.105 0.000 2.537 58 S HA -0.092 4.390 4.470 0.019 0.000 0.240 58 S C 1.522 176.168 174.600 0.078 0.000 0.981 58 S CA 1.345 59.595 58.200 0.083 0.000 0.948 58 S CB -0.460 62.796 63.200 0.093 0.000 0.759 58 S HN 0.331 nan 8.310 nan 0.000 0.531 59 T N 0.315 114.924 114.554 0.093 0.000 3.009 59 T HA 0.391 4.753 4.350 0.019 0.000 0.258 59 T C 1.780 176.455 174.700 -0.043 0.000 1.063 59 T CA 0.545 62.674 62.100 0.048 0.000 1.139 59 T CB -0.638 68.284 68.868 0.090 0.000 0.890 59 T HN 0.747 nan 8.240 nan 0.000 0.471 60 G N 1.803 110.585 108.800 -0.029 0.000 2.189 60 G HA2 -0.278 3.693 3.960 0.019 0.000 0.267 60 G HA3 -0.278 3.693 3.960 0.019 0.000 0.267 60 G C 0.142 174.951 174.900 -0.152 0.000 0.975 60 G CA 0.234 45.290 45.100 -0.073 0.000 0.644 60 G HN 0.485 nan 8.290 nan 0.000 0.537 61 M N 2.009 121.491 119.600 -0.197 0.000 2.249 61 M HA 0.381 4.872 4.480 0.019 0.000 0.351 61 M C 1.110 177.298 176.300 -0.187 0.000 1.180 61 M CA 0.124 55.190 55.300 -0.389 0.000 1.127 61 M CB 0.879 33.076 32.600 -0.671 0.000 1.546 61 M HN 0.328 nan 8.290 nan 0.000 0.461 62 T N -0.306 114.129 114.554 -0.198 0.000 2.849 62 T HA 0.380 4.741 4.350 0.019 0.000 0.284 62 T C 0.399 175.198 174.700 0.164 0.000 1.004 62 T CA -1.100 60.998 62.100 -0.003 0.000 1.021 62 T CB 0.810 69.663 68.868 -0.025 0.000 1.013 62 T HN 0.717 nan 8.240 nan 0.000 0.527 63 S N 0.710 116.522 115.700 0.186 0.000 2.580 63 S HA 0.312 4.794 4.470 0.019 0.000 0.274 63 S C 0.052 174.753 174.600 0.168 0.000 1.329 63 S CA -1.084 57.268 58.200 0.254 0.000 1.036 63 S CB 0.317 63.626 63.200 0.181 0.000 0.919 63 S HN 0.672 nan 8.310 nan 0.000 0.515 64 R N 2.166 122.767 120.500 0.169 0.000 3.235 64 R HA 0.212 4.563 4.340 0.019 0.000 0.232 64 R C -0.275 176.059 176.300 0.056 0.000 1.475 64 R CA -0.142 55.992 56.100 0.056 0.000 1.405 64 R CB 0.007 30.307 30.300 -0.001 0.000 1.266 64 R HN 0.646 nan 8.270 nan 0.000 0.650 65 S N 0.660 116.396 115.700 0.060 0.000 2.563 65 S HA 0.092 4.573 4.470 0.019 0.000 0.294 65 S C 1.472 176.104 174.600 0.053 0.000 1.279 65 S CA 0.684 58.918 58.200 0.057 0.000 1.069 65 S CB 0.916 64.152 63.200 0.059 0.000 0.828 65 S HN 0.908 nan 8.310 nan 0.000 0.497 66 G N 2.282 111.112 108.800 0.051 0.000 2.184 66 G HA2 -0.348 3.623 3.960 0.019 0.000 0.264 66 G HA3 -0.348 3.623 3.960 0.019 0.000 0.264 66 G C 0.916 175.843 174.900 0.045 0.000 0.975 66 G CA 0.715 45.846 45.100 0.051 0.000 0.642 66 G HN 0.786 nan 8.290 nan 0.000 0.536 67 T N -0.011 114.565 114.554 0.037 0.000 2.849 67 T HA -0.089 4.272 4.350 0.019 0.000 0.270 67 T C 2.013 176.729 174.700 0.026 0.000 1.066 67 T CA 2.150 64.268 62.100 0.030 0.000 1.130 67 T CB -0.348 68.534 68.868 0.022 0.000 0.864 67 T HN 0.412 nan 8.240 nan 0.000 0.481 68 D N 0.630 121.045 120.400 0.025 0.000 2.178 68 D HA -0.071 4.580 4.640 0.019 0.000 0.201 68 D C 2.241 178.555 176.300 0.023 0.000 0.980 68 D CA 0.861 54.872 54.000 0.019 0.000 0.842 68 D CB -0.475 40.336 40.800 0.018 0.000 0.948 68 D HN 0.345 nan 8.370 nan 0.000 0.472 69 V N 1.707 121.639 119.914 0.031 0.000 2.278 69 V HA -0.279 3.852 4.120 0.019 0.000 0.251 69 V C 2.003 178.117 176.094 0.033 0.000 1.062 69 V CA 1.969 64.291 62.300 0.035 0.000 1.038 69 V CB -0.486 31.366 31.823 0.049 0.000 0.646 69 V HN 0.075 nan 8.190 nan 0.000 0.447 70 D N 0.252 120.673 120.400 0.035 0.000 2.084 70 D HA -0.131 4.521 4.640 0.019 0.000 0.194 70 D C 2.263 178.574 176.300 0.019 0.000 0.990 70 D CA 1.805 55.824 54.000 0.030 0.000 0.826 70 D CB -0.532 40.288 40.800 0.035 0.000 0.971 70 D HN 0.435 nan 8.370 nan 0.000 0.453 71 A N 1.127 123.955 122.820 0.013 0.000 1.883 71 A HA -0.132 4.200 4.320 0.019 0.000 0.217 71 A C 2.330 179.917 177.584 0.004 0.000 1.186 71 A CA 2.725 54.762 52.037 0.000 0.000 0.624 71 A CB -0.943 18.055 19.000 -0.004 0.000 0.822 71 A HN 0.250 nan 8.150 nan 0.000 0.444 72 A N 0.115 122.941 122.820 0.009 0.000 1.865 72 A HA -0.274 4.057 4.320 0.019 0.000 0.217 72 A C 2.072 179.664 177.584 0.013 0.000 1.191 72 A CA 2.233 54.277 52.037 0.011 0.000 0.623 72 A CB -0.803 18.205 19.000 0.012 0.000 0.826 72 A HN 0.561 nan 8.150 nan 0.000 0.444 73 N N 0.071 118.780 118.700 0.015 0.000 2.104 73 N HA -0.113 4.638 4.740 0.019 0.000 0.190 73 N C 1.605 177.127 175.510 0.021 0.000 1.024 73 N CA 1.685 54.742 53.050 0.012 0.000 0.853 73 N CB -0.502 37.993 38.487 0.012 0.000 1.008 73 N HN 0.483 nan 8.380 nan 0.000 0.424 74 L N 0.301 121.547 121.223 0.039 0.000 2.083 74 L HA -0.087 4.265 4.340 0.019 0.000 0.209 74 L C 2.686 179.634 176.870 0.130 0.000 1.083 74 L CA 0.923 55.824 54.840 0.102 0.000 0.752 74 L CB -0.311 41.781 42.059 0.054 0.000 0.899 74 L HN 0.192 nan 8.230 nan 0.000 0.433 75 R N 0.247 120.779 120.500 0.052 0.000 2.070 75 R HA -0.238 4.113 4.340 0.019 0.000 0.233 75 R C 2.273 178.602 176.300 0.049 0.000 1.137 75 R CA 2.017 58.142 56.100 0.043 0.000 0.945 75 R CB -0.157 30.152 30.300 0.015 0.000 0.845 75 R HN 0.349 nan 8.270 nan 0.000 0.430 76 E N -0.701 119.512 120.200 0.023 0.000 2.058 76 E HA -0.175 4.186 4.350 0.019 0.000 0.194 76 E C 1.586 178.174 176.600 -0.021 0.000 0.997 76 E CA 2.157 58.558 56.400 0.001 0.000 0.801 76 E CB -0.017 29.677 29.700 -0.011 0.000 0.746 76 E HN 0.334 nan 8.360 nan 0.000 0.450 77 T N 0.093 114.621 114.554 -0.044 0.000 2.652 77 T HA -0.182 4.180 4.350 0.019 0.000 0.267 77 T C 1.486 176.038 174.700 -0.246 0.000 1.039 77 T CA 1.713 63.711 62.100 -0.169 0.000 1.153 77 T CB -0.518 68.217 68.868 -0.223 0.000 0.863 77 T HN 0.179 nan 8.240 nan 0.000 0.428 78 F N 0.944 120.809 119.950 -0.143 0.000 2.325 78 F HA 0.128 4.665 4.527 0.018 0.000 0.299 78 F C 2.660 178.457 175.800 -0.006 0.000 1.090 78 F CA 0.476 58.387 58.000 -0.148 0.000 1.392 78 F CB -0.220 38.611 39.000 -0.282 0.000 1.053 78 F HN -0.062 nan 8.300 nan 0.000 0.521 79 R N 0.433 121.009 120.500 0.127 0.000 2.083 79 R HA -0.165 4.187 4.340 0.019 0.000 0.237 79 R C 1.839 178.164 176.300 0.042 0.000 1.137 79 R CA 1.541 57.691 56.100 0.084 0.000 0.951 79 R CB -0.529 29.798 30.300 0.046 0.000 0.851 79 R HN 0.261 nan 8.270 nan 0.000 0.434 80 N N 0.811 119.505 118.700 -0.009 0.000 2.289 80 N HA -0.116 4.635 4.740 0.019 0.000 0.184 80 N C 1.592 177.074 175.510 -0.047 0.000 1.016 80 N CA 0.831 53.858 53.050 -0.038 0.000 0.872 80 N CB -0.112 38.334 38.487 -0.069 0.000 0.973 80 N HN 0.252 nan 8.380 nan 0.000 0.433 81 L N 0.263 121.448 121.223 -0.064 0.000 2.610 81 L HA 0.064 4.415 4.340 0.019 0.000 0.232 81 L C 0.290 177.186 176.870 0.043 0.000 1.149 81 L CA 0.290 55.104 54.840 -0.043 0.000 0.872 81 L CB -0.188 41.757 42.059 -0.191 0.000 0.992 81 L HN 0.078 nan 8.230 nan 0.000 0.447 82 K N -2.377 118.051 120.400 0.047 0.000 3.434 82 K HA -0.199 4.133 4.320 0.019 0.000 0.303 82 K C -0.475 176.102 176.600 -0.039 0.000 1.351 82 K CA 0.438 56.722 56.287 -0.005 0.000 0.900 82 K CB -1.733 30.742 32.500 -0.042 0.000 1.385 82 K HN 0.124 nan 8.250 nan 0.000 0.477 83 Y N 1.723 122.041 120.300 0.030 0.000 2.336 83 Y HA 0.106 4.668 4.550 0.020 0.000 0.331 83 Y C 1.077 176.988 175.900 0.019 0.000 1.211 83 Y CA -0.245 57.875 58.100 0.034 0.000 1.346 83 Y CB 0.650 39.144 38.460 0.056 0.000 1.271 83 Y HN 0.014 nan 8.280 nan 0.000 0.538 84 E N 2.594 122.888 120.200 0.156 0.000 2.029 84 E HA 0.232 4.594 4.350 0.019 0.000 0.276 84 E C -1.362 175.295 176.600 0.095 0.000 1.163 84 E CA -0.303 56.157 56.400 0.101 0.000 0.909 84 E CB 0.329 30.075 29.700 0.075 0.000 1.046 84 E HN 0.383 nan 8.360 nan 0.000 0.406 85 V N 6.153 126.106 119.914 0.065 0.000 2.432 85 V HA 0.309 4.440 4.120 0.019 0.000 0.275 85 V C 0.235 176.329 176.094 -0.001 0.000 1.043 85 V CA -0.353 61.954 62.300 0.012 0.000 0.925 85 V CB 1.107 32.939 31.823 0.015 0.000 0.985 85 V HN 0.604 nan 8.190 nan 0.000 0.466 86 R N 3.745 124.231 120.500 -0.023 0.000 2.409 86 R HA 0.441 4.793 4.340 0.019 0.000 0.313 86 R C -0.991 175.292 176.300 -0.029 0.000 0.953 86 R CA -0.654 55.440 56.100 -0.011 0.000 0.849 86 R CB 1.342 31.649 30.300 0.012 0.000 1.171 86 R HN 0.642 nan 8.270 nan 0.000 0.458 87 N N 2.237 120.924 118.700 -0.022 0.000 2.455 87 N HA 0.219 4.970 4.740 0.019 0.000 0.280 87 N C -0.907 174.593 175.510 -0.016 0.000 1.055 87 N CA -0.294 52.740 53.050 -0.026 0.000 0.961 87 N CB 1.026 39.501 38.487 -0.021 0.000 1.121 87 N HN 0.146 nan 8.380 nan 0.000 0.476 88 K N 1.963 122.352 120.400 -0.018 0.000 2.397 88 K HA 0.436 4.767 4.320 0.019 0.000 0.253 88 K C -1.074 175.514 176.600 -0.019 0.000 0.932 88 K CA -0.757 55.523 56.287 -0.012 0.000 0.795 88 K CB 1.761 34.260 32.500 -0.002 0.000 1.159 88 K HN 0.529 nan 8.250 nan 0.000 0.424 89 N N 2.154 120.841 118.700 -0.022 0.000 2.321 89 N HA 0.160 4.912 4.740 0.019 0.000 0.299 89 N C -0.992 174.486 175.510 -0.053 0.000 1.048 89 N CA -0.386 52.642 53.050 -0.036 0.000 0.836 89 N CB 1.340 39.810 38.487 -0.028 0.000 1.269 89 N HN 0.489 nan 8.380 nan 0.000 0.486 90 D N 1.039 121.381 120.400 -0.097 0.000 2.812 90 D HA -0.169 4.482 4.640 0.019 0.000 0.237 90 D C -0.335 175.900 176.300 -0.108 0.000 1.162 90 D CA 0.827 54.737 54.000 -0.151 0.000 0.740 90 D CB -0.753 39.976 40.800 -0.119 0.000 1.000 90 D HN 0.418 nan 8.370 nan 0.000 0.416 91 L N 0.417 121.584 121.223 -0.093 0.000 2.350 91 L HA 0.309 4.661 4.340 0.019 0.000 0.275 91 L C 1.740 178.570 176.870 -0.068 0.000 1.099 91 L CA -0.624 54.187 54.840 -0.049 0.000 0.808 91 L CB 1.137 43.189 42.059 -0.012 0.000 1.149 91 L HN 0.101 nan 8.230 nan 0.000 0.442 92 T N -1.105 113.427 114.554 -0.038 0.000 2.766 92 T HA 0.158 4.520 4.350 0.019 0.000 0.295 92 T C 1.218 175.923 174.700 0.007 0.000 1.024 92 T CA -0.573 61.504 62.100 -0.038 0.000 1.018 92 T CB 0.739 69.613 68.868 0.011 0.000 1.002 92 T HN 0.724 nan 8.240 nan 0.000 0.532 93 R N 0.913 121.427 120.500 0.024 0.000 2.091 93 R HA -0.149 4.202 4.340 0.019 0.000 0.238 93 R C 1.909 178.238 176.300 0.048 0.000 1.136 93 R CA 1.804 57.929 56.100 0.041 0.000 0.959 93 R CB -0.838 29.483 30.300 0.035 0.000 0.856 93 R HN 0.698 nan 8.270 nan 0.000 0.437 94 E N 1.203 121.429 120.200 0.044 0.000 2.077 94 E HA -0.167 4.194 4.350 0.019 0.000 0.193 94 E C 1.939 178.563 176.600 0.039 0.000 0.989 94 E CA 1.660 58.087 56.400 0.046 0.000 0.800 94 E CB -0.121 29.604 29.700 0.042 0.000 0.746 94 E HN 0.528 nan 8.360 nan 0.000 0.452 95 E N 0.232 120.451 120.200 0.032 0.000 2.077 95 E HA -0.161 4.201 4.350 0.019 0.000 0.193 95 E C 2.096 178.714 176.600 0.030 0.000 0.989 95 E CA 0.850 57.264 56.400 0.024 0.000 0.800 95 E CB -0.143 29.568 29.700 0.018 0.000 0.746 95 E HN 0.269 nan 8.360 nan 0.000 0.452 96 I N 0.479 121.077 120.570 0.047 0.000 2.142 96 I HA -0.278 3.903 4.170 0.019 0.000 0.240 96 I C 2.364 178.536 176.117 0.091 0.000 1.078 96 I CA 0.888 62.233 61.300 0.074 0.000 1.343 96 I CB -0.255 37.798 38.000 0.088 0.000 1.046 96 I HN -0.004 nan 8.210 nan 0.000 0.405 97 V N 0.429 120.405 119.914 0.103 0.000 2.287 97 V HA -0.285 3.846 4.120 0.019 0.000 0.248 97 V C 2.502 178.586 176.094 -0.017 0.000 1.053 97 V CA 1.975 64.363 62.300 0.147 0.000 1.027 97 V CB -0.621 31.314 31.823 0.186 0.000 0.646 97 V HN 0.378 nan 8.190 nan 0.000 0.447 98 E N -0.017 120.171 120.200 -0.020 0.000 2.110 98 E HA -0.192 4.169 4.350 0.019 0.000 0.193 98 E C 1.895 178.428 176.600 -0.112 0.000 0.988 98 E CA 1.074 57.428 56.400 -0.077 0.000 0.804 98 E CB -0.409 29.275 29.700 -0.027 0.000 0.745 98 E HN 0.499 nan 8.360 nan 0.000 0.458 99 L N -0.494 120.698 121.223 -0.052 0.000 2.072 99 L HA -0.081 4.270 4.340 0.019 0.000 0.205 99 L C 1.982 178.827 176.870 -0.042 0.000 1.079 99 L CA 1.417 56.242 54.840 -0.025 0.000 0.752 99 L CB -0.265 41.812 42.059 0.029 0.000 0.906 99 L HN 0.125 nan 8.230 nan 0.000 0.436 100 M N -0.720 118.849 119.600 -0.052 0.000 2.132 100 M HA -0.152 4.339 4.480 0.019 0.000 0.263 100 M C 2.444 178.411 176.300 -0.555 0.000 1.065 100 M CA 1.415 56.697 55.300 -0.030 0.000 1.122 100 M CB -1.224 31.514 32.600 0.230 0.000 1.365 100 M HN 0.320 nan 8.290 nan 0.000 0.411 101 R N 0.575 120.474 120.500 -1.001 0.000 2.091 101 R HA -0.189 4.162 4.340 0.019 0.000 0.238 101 R C 1.541 177.522 176.300 -0.532 0.000 1.136 101 R CA 1.905 57.283 56.100 -1.203 0.000 0.959 101 R CB -0.039 29.721 30.300 -0.900 0.000 0.856 101 R HN 0.313 nan 8.270 nan 0.000 0.437 102 D N -0.287 119.925 120.400 -0.314 0.000 2.084 102 D HA -0.118 4.534 4.640 0.019 0.000 0.196 102 D C 2.008 178.235 176.300 -0.123 0.000 0.985 102 D CA 1.176 55.074 54.000 -0.170 0.000 0.826 102 D CB -0.382 40.357 40.800 -0.101 0.000 0.978 102 D HN 0.077 nan 8.370 nan 0.000 0.456 103 V N 1.730 121.605 119.914 -0.065 0.000 2.332 103 V HA -0.257 3.874 4.120 0.019 0.000 0.248 103 V C 2.608 178.730 176.094 0.048 0.000 1.055 103 V CA 2.114 64.454 62.300 0.067 0.000 1.038 103 V CB -0.870 31.097 31.823 0.241 0.000 0.651 103 V HN 0.282 nan 8.190 nan 0.000 0.450 104 S N -0.344 115.197 115.700 -0.265 0.000 2.474 104 S HA -0.179 4.303 4.470 0.019 0.000 0.235 104 S C 1.784 176.282 174.600 -0.171 0.000 0.997 104 S CA 1.299 59.230 58.200 -0.449 0.000 0.949 104 S CB -0.361 62.302 63.200 -0.894 0.000 0.766 104 S HN 0.656 nan 8.310 nan 0.000 0.517 105 K N 0.879 121.193 120.400 -0.143 0.000 2.379 105 K HA 0.215 4.547 4.320 0.019 0.000 0.194 105 K C 0.505 177.053 176.600 -0.087 0.000 1.031 105 K CA 0.029 56.258 56.287 -0.096 0.000 1.037 105 K CB 0.212 32.651 32.500 -0.101 0.000 0.824 105 K HN 0.572 nan 8.250 nan 0.000 0.516 106 E N 1.299 121.428 120.200 -0.118 0.000 2.428 106 E HA -0.076 4.285 4.350 0.019 0.000 0.257 106 E C -0.587 175.854 176.600 -0.266 0.000 1.197 106 E CA 0.136 56.403 56.400 -0.222 0.000 0.974 106 E CB 0.395 29.883 29.700 -0.353 0.000 0.976 106 E HN 0.007 nan 8.360 nan 0.000 0.463 107 D N 0.187 120.433 120.400 -0.258 0.000 2.347 107 D HA 0.032 4.684 4.640 0.019 0.000 0.235 107 D C -0.229 175.905 176.300 -0.277 0.000 1.149 107 D CA -0.109 53.782 54.000 -0.182 0.000 0.850 107 D CB 0.375 41.117 40.800 -0.096 0.000 1.061 107 D HN 0.350 nan 8.370 nan 0.000 0.487 108 H N 2.792 121.841 119.070 -0.036 0.000 2.524 108 H HA 0.137 4.703 4.556 0.017 0.000 0.299 108 H C 1.183 176.461 175.328 -0.083 0.000 1.074 108 H CA -0.118 55.899 56.048 -0.051 0.000 1.115 108 H CB 0.530 30.257 29.762 -0.059 0.000 1.522 108 H HN 0.332 nan 8.280 nan 0.000 0.543 109 S N 0.852 116.564 115.700 0.020 0.000 2.370 109 S HA -0.125 4.356 4.470 0.019 0.000 0.226 109 S C 1.714 176.334 174.600 0.033 0.000 1.033 109 S CA 1.251 59.463 58.200 0.019 0.000 1.011 109 S CB 0.070 63.295 63.200 0.042 0.000 0.852 109 S HN 0.429 nan 8.310 nan 0.000 0.457 110 K N 0.522 120.954 120.400 0.054 0.000 2.437 110 K HA 0.203 4.535 4.320 0.019 0.000 0.198 110 K C -0.005 176.642 176.600 0.078 0.000 1.024 110 K CA 0.080 56.444 56.287 0.129 0.000 1.148 110 K CB 0.337 32.892 32.500 0.092 0.000 0.860 110 K HN 0.121 nan 8.250 nan 0.000 0.515 111 R N -0.368 120.094 120.500 -0.063 0.000 2.445 111 R HA 0.235 4.586 4.340 0.019 0.000 0.308 111 R C 0.592 176.689 176.300 -0.338 0.000 0.961 111 R CA -0.263 55.785 56.100 -0.088 0.000 0.862 111 R CB 1.640 31.967 30.300 0.046 0.000 1.144 111 R HN -0.083 nan 8.270 nan 0.000 0.447 112 S N 0.411 115.988 115.700 -0.205 0.000 2.371 112 S HA -0.065 4.416 4.470 0.019 0.000 0.224 112 S C 0.612 175.098 174.600 -0.189 0.000 1.029 112 S CA 1.325 59.411 58.200 -0.190 0.000 0.978 112 S CB 0.129 63.352 63.200 0.039 0.000 0.833 112 S HN 0.785 nan 8.310 nan 0.000 0.466 113 S N -0.802 114.831 115.700 -0.112 0.000 2.776 113 S HA 0.738 5.219 4.470 0.019 0.000 0.292 113 S C -1.397 173.226 174.600 0.039 0.000 1.187 113 S CA -0.899 57.255 58.200 -0.078 0.000 0.834 113 S CB 1.576 64.764 63.200 -0.021 0.000 1.199 113 S HN 0.174 nan 8.310 nan 0.000 0.514 114 F N 0.535 120.351 119.950 -0.224 0.000 2.569 114 F HA 0.786 5.324 4.527 0.020 0.000 0.312 114 F C -1.737 173.802 175.800 -0.435 0.000 1.109 114 F CA -0.687 57.126 58.000 -0.312 0.000 0.919 114 F CB 1.876 40.573 39.000 -0.504 0.000 1.211 114 F HN 0.582 nan 8.300 nan 0.000 0.446 115 V N 4.905 123.949 119.914 -1.450 0.000 2.709 115 V HA 0.529 4.661 4.120 0.019 0.000 0.308 115 V C -1.178 173.894 176.094 -1.703 0.000 1.062 115 V CA -0.882 60.557 62.300 -1.434 0.000 0.901 115 V CB 1.659 32.778 31.823 -1.172 0.000 1.003 115 V HN 1.032 nan 8.190 nan 0.000 0.425 116 C N 5.731 124.180 119.300 -1.418 0.000 2.481 116 C HA 0.836 5.307 4.460 0.019 0.000 0.324 116 C C -0.811 173.873 174.990 -0.511 0.000 1.170 116 C CA -0.192 58.290 59.018 -0.894 0.000 1.361 116 C CB 0.712 28.033 27.740 -0.698 0.000 1.977 116 C HN 0.722 nan 8.230 nan 0.000 0.459 117 V N 7.168 126.864 119.914 -0.363 0.000 2.417 117 V HA 0.515 4.646 4.120 0.019 0.000 0.291 117 V C -0.206 175.847 176.094 -0.067 0.000 1.024 117 V CA -0.380 61.798 62.300 -0.203 0.000 0.861 117 V CB 1.553 33.223 31.823 -0.255 0.000 0.985 117 V HN 0.797 nan 8.190 nan 0.000 0.436 118 L N 6.209 127.445 121.223 0.022 0.000 2.305 118 L HA 0.619 4.971 4.340 0.019 0.000 0.284 118 L C -0.861 176.052 176.870 0.072 0.000 1.013 118 L CA -0.435 54.444 54.840 0.065 0.000 0.819 118 L CB 1.505 43.633 42.059 0.114 0.000 1.227 118 L HN 0.450 nan 8.230 nan 0.000 0.417 119 L N 3.204 124.464 121.223 0.060 0.000 2.353 119 L HA 0.677 5.028 4.340 0.019 0.000 0.270 119 L C -0.193 176.720 176.870 0.071 0.000 1.003 119 L CA -0.047 54.827 54.840 0.056 0.000 0.862 119 L CB 1.541 43.620 42.059 0.034 0.000 1.221 119 L HN 0.648 nan 8.230 nan 0.000 0.430 120 S N 0.105 115.852 115.700 0.077 0.000 2.655 120 S HA 0.436 4.918 4.470 0.019 0.000 0.266 120 S C -1.142 173.477 174.600 0.032 0.000 1.149 120 S CA -0.731 57.547 58.200 0.131 0.000 0.818 120 S CB 1.149 64.506 63.200 0.262 0.000 1.130 120 S HN 0.595 nan 8.310 nan 0.000 0.476 121 H N 0.236 119.381 119.070 0.124 0.000 2.679 121 H HA 0.542 5.110 4.556 0.019 0.000 0.369 121 H C 0.684 176.188 175.328 0.293 0.000 1.178 121 H CA 0.854 56.898 56.048 -0.006 0.000 1.419 121 H CB 0.729 30.239 29.762 -0.420 0.000 1.458 121 H HN 0.840 nan 8.280 nan 0.000 0.605 122 G N 0.234 109.266 108.800 0.386 0.000 2.721 122 G HA2 0.489 4.460 3.960 0.019 0.000 0.296 122 G HA3 0.489 4.460 3.960 0.019 0.000 0.296 122 G C -1.219 173.851 174.900 0.284 0.000 1.383 122 G CA -0.632 44.690 45.100 0.369 0.000 0.788 122 G HN 0.530 nan 8.290 nan 0.000 0.500 123 E N -0.987 119.309 120.200 0.161 0.000 2.445 123 E HA 0.339 4.700 4.350 0.019 0.000 0.279 123 E C -1.321 175.285 176.600 0.009 0.000 1.018 123 E CA -0.959 55.491 56.400 0.083 0.000 0.816 123 E CB 2.441 32.197 29.700 0.093 0.000 1.356 123 E HN 0.400 nan 8.360 nan 0.000 0.462 124 E N 0.182 120.364 120.200 -0.029 0.000 2.694 124 E HA 0.042 4.404 4.350 0.019 0.000 0.250 124 E C 0.788 177.346 176.600 -0.070 0.000 0.963 124 E CA 1.854 58.211 56.400 -0.072 0.000 0.949 124 E CB -0.109 29.540 29.700 -0.085 0.000 0.911 124 E HN 0.722 nan 8.360 nan 0.000 0.500 125 G N 3.396 112.152 108.800 -0.074 0.000 2.196 125 G HA2 -0.308 3.664 3.960 0.019 0.000 0.268 125 G HA3 -0.308 3.664 3.960 0.019 0.000 0.268 125 G C 0.273 175.144 174.900 -0.049 0.000 0.975 125 G CA 0.723 45.786 45.100 -0.061 0.000 0.648 125 G HN 0.842 nan 8.290 nan 0.000 0.538 126 I N -0.950 119.590 120.570 -0.050 0.000 2.647 126 I HA 0.850 5.031 4.170 0.019 0.000 0.295 126 I C -0.194 175.876 176.117 -0.079 0.000 1.078 126 I CA -2.124 59.113 61.300 -0.104 0.000 1.048 126 I CB 1.826 39.702 38.000 -0.207 0.000 1.239 126 I HN 0.446 nan 8.210 nan 0.000 0.421 127 I N 1.590 122.108 120.570 -0.088 0.000 2.797 127 I HA 0.659 4.841 4.170 0.019 0.000 0.307 127 I C -1.450 174.601 176.117 -0.108 0.000 1.033 127 I CA -0.651 60.654 61.300 0.008 0.000 1.071 127 I CB 1.796 39.853 38.000 0.096 0.000 1.255 127 I HN 0.519 nan 8.210 nan 0.000 0.445 128 F N 2.236 122.275 119.950 0.149 0.000 2.415 128 F HA 0.653 5.192 4.527 0.019 0.000 0.348 128 F C 1.136 177.082 175.800 0.243 0.000 1.119 128 F CA -0.143 57.980 58.000 0.205 0.000 1.069 128 F CB 1.655 40.801 39.000 0.243 0.000 1.124 128 F HN 0.710 nan 8.300 nan 0.000 0.472 129 G N 0.765 109.734 108.800 0.281 0.000 2.634 129 G HA2 0.255 4.226 3.960 0.019 0.000 0.255 129 G HA3 0.255 4.226 3.960 0.019 0.000 0.255 129 G C 0.948 175.977 174.900 0.214 0.000 1.205 129 G CA -0.035 45.167 45.100 0.170 0.000 0.884 129 G HN 0.733 nan 8.290 nan 0.000 0.549 130 T N -1.705 112.776 114.554 -0.122 0.000 2.977 130 T HA -0.153 4.208 4.350 0.019 0.000 0.271 130 T C 1.332 175.870 174.700 -0.271 0.000 1.105 130 T CA 1.443 63.321 62.100 -0.371 0.000 1.116 130 T CB -0.134 68.355 68.868 -0.632 0.000 0.878 130 T HN 0.623 nan 8.240 nan 0.000 0.509 131 N N 0.822 119.412 118.700 -0.183 0.000 2.197 131 N HA 0.389 5.141 4.740 0.019 0.000 0.228 131 N C 0.557 176.147 175.510 0.133 0.000 1.212 131 N CA 0.185 53.203 53.050 -0.052 0.000 0.883 131 N CB 0.942 39.410 38.487 -0.033 0.000 1.107 131 N HN 0.628 nan 8.380 nan 0.000 0.519 132 G N 0.669 109.612 108.800 0.238 0.000 2.352 132 G HA2 0.143 4.115 3.960 0.019 0.000 0.302 132 G HA3 0.143 4.115 3.960 0.019 0.000 0.302 132 G C -3.511 171.464 174.900 0.125 0.000 1.370 132 G CA -0.932 44.336 45.100 0.279 0.000 0.918 132 G HN -0.015 nan 8.290 nan 0.000 0.610 133 P HA 0.459 nan 4.420 nan 0.000 0.271 133 P C -0.431 176.720 177.300 -0.248 0.000 1.218 133 P CA -0.095 62.681 63.100 -0.540 0.000 0.780 133 P CB 1.508 32.916 31.700 -0.487 0.000 0.901 134 V N 2.439 122.204 119.914 -0.248 0.000 2.638 134 V HA 0.198 4.329 4.120 0.019 0.000 0.306 134 V C -0.083 175.942 176.094 -0.115 0.000 1.052 134 V CA -0.743 61.491 62.300 -0.110 0.000 0.885 134 V CB 1.768 33.575 31.823 -0.026 0.000 0.999 134 V HN 0.402 nan 8.190 nan 0.000 0.424 135 D N 2.797 123.146 120.400 -0.086 0.000 2.458 135 D HA 0.153 4.804 4.640 0.019 0.000 0.243 135 D C 1.164 177.436 176.300 -0.046 0.000 1.146 135 D CA 0.229 54.183 54.000 -0.076 0.000 0.877 135 D CB 1.415 42.170 40.800 -0.076 0.000 1.176 135 D HN 0.405 nan 8.370 nan 0.000 0.461 136 L N 2.393 123.591 121.223 -0.040 0.000 2.083 136 L HA -0.214 4.138 4.340 0.019 0.000 0.209 136 L C 2.166 179.004 176.870 -0.053 0.000 1.083 136 L CA 1.126 55.956 54.840 -0.016 0.000 0.752 136 L CB -0.132 41.929 42.059 0.004 0.000 0.899 136 L HN 0.306 nan 8.230 nan 0.000 0.433 137 K N 0.602 120.950 120.400 -0.088 0.000 2.209 137 K HA -0.226 4.105 4.320 0.019 0.000 0.204 137 K C 1.989 178.513 176.600 -0.127 0.000 1.048 137 K CA 1.239 57.450 56.287 -0.126 0.000 0.940 137 K CB 0.033 32.454 32.500 -0.131 0.000 0.729 137 K HN 0.018 nan 8.250 nan 0.000 0.451 138 K N 0.687 121.027 120.400 -0.099 0.000 2.062 138 K HA -0.047 4.284 4.320 0.019 0.000 0.205 138 K C 1.916 178.457 176.600 -0.098 0.000 1.051 138 K CA 1.464 57.668 56.287 -0.139 0.000 0.941 138 K CB -0.234 32.221 32.500 -0.075 0.000 0.719 138 K HN 0.350 nan 8.250 nan 0.000 0.440 139 I N -0.128 120.497 120.570 0.092 0.000 2.500 139 I HA -0.133 4.048 4.170 0.019 0.000 0.252 139 I C 1.804 178.167 176.117 0.410 0.000 1.142 139 I CA 1.730 63.240 61.300 0.350 0.000 1.451 139 I CB -0.423 37.783 38.000 0.345 0.000 1.093 139 I HN 0.304 nan 8.210 nan 0.000 0.430 140 T N -1.494 113.115 114.554 0.093 0.000 2.942 140 T HA -0.015 4.346 4.350 0.019 0.000 0.265 140 T C 1.736 176.552 174.700 0.193 0.000 1.062 140 T CA 0.967 63.082 62.100 0.025 0.000 1.139 140 T CB -0.620 68.002 68.868 -0.409 0.000 0.883 140 T HN 0.315 nan 8.240 nan 0.000 0.468 141 N N 1.099 119.782 118.700 -0.028 0.000 2.205 141 N HA -0.016 4.735 4.740 0.019 0.000 0.186 141 N C 1.258 176.732 175.510 -0.061 0.000 1.015 141 N CA 0.825 53.816 53.050 -0.099 0.000 0.862 141 N CB -0.680 37.659 38.487 -0.246 0.000 0.986 141 N HN 0.411 nan 8.380 nan 0.000 0.429 142 F N -0.329 119.627 119.950 0.010 0.000 2.250 142 F HA -0.096 4.442 4.527 0.017 0.000 0.301 142 F C 1.297 176.866 175.800 -0.386 0.000 1.077 142 F CA 0.858 58.704 58.000 -0.257 0.000 1.348 142 F CB -0.462 38.243 39.000 -0.492 0.000 1.040 142 F HN 0.008 nan 8.300 nan 0.000 0.509 143 F N -1.104 119.030 119.950 0.308 0.000 2.653 143 F HA 0.248 4.785 4.527 0.016 0.000 0.304 143 F C 1.017 177.021 175.800 0.339 0.000 1.092 143 F CA -0.632 57.510 58.000 0.235 0.000 1.279 143 F CB -0.371 38.769 39.000 0.233 0.000 1.044 143 F HN -0.427 nan 8.300 nan 0.000 0.564 144 R N 0.618 121.412 120.500 0.490 0.000 2.638 144 R HA 0.005 4.356 4.340 0.019 0.000 0.268 144 R C 1.781 178.238 176.300 0.261 0.000 1.006 144 R CA 0.536 56.897 56.100 0.435 0.000 1.088 144 R CB 0.233 30.656 30.300 0.204 0.000 0.950 144 R HN 0.402 nan 8.270 nan 0.000 0.419 145 G N 2.346 111.290 108.800 0.240 0.000 2.550 145 G HA2 -0.343 3.628 3.960 0.019 0.000 0.222 145 G HA3 -0.343 3.628 3.960 0.019 0.000 0.222 145 G C 0.842 175.796 174.900 0.090 0.000 1.113 145 G CA 1.404 46.579 45.100 0.126 0.000 0.748 145 G HN 0.840 nan 8.290 nan 0.000 0.585 146 D N -0.638 119.816 120.400 0.091 0.000 2.350 146 D HA 0.037 4.689 4.640 0.019 0.000 0.213 146 D C 2.150 178.478 176.300 0.046 0.000 1.031 146 D CA 0.085 54.120 54.000 0.059 0.000 0.861 146 D CB -0.216 40.614 40.800 0.050 0.000 0.926 146 D HN 0.367 nan 8.370 nan 0.000 0.520 147 R N -0.771 119.761 120.500 0.054 0.000 2.279 147 R HA 0.220 4.571 4.340 0.019 0.000 0.195 147 R C 0.199 176.510 176.300 0.019 0.000 0.905 147 R CA 0.065 56.186 56.100 0.035 0.000 1.044 147 R CB 0.725 31.044 30.300 0.032 0.000 1.056 147 R HN 0.089 nan 8.270 nan 0.000 0.535 148 C N 1.533 120.852 119.300 0.030 0.000 2.816 148 C HA 0.393 4.864 4.460 0.019 0.000 0.255 148 C C 1.397 176.404 174.990 0.029 0.000 1.141 148 C CA -0.814 58.212 59.018 0.013 0.000 1.554 148 C CB -0.253 27.482 27.740 -0.010 0.000 1.778 148 C HN 0.396 nan 8.230 nan 0.000 0.429 149 R N 1.421 121.938 120.500 0.028 0.000 2.120 149 R HA -0.084 4.267 4.340 0.019 0.000 0.234 149 R C 2.333 178.650 176.300 0.027 0.000 1.123 149 R CA 2.058 58.175 56.100 0.029 0.000 0.975 149 R CB 0.228 30.544 30.300 0.026 0.000 0.866 149 R HN 0.827 nan 8.270 nan 0.000 0.446 150 S N -0.708 115.014 115.700 0.037 0.000 2.555 150 S HA -0.009 4.472 4.470 0.019 0.000 0.230 150 S C 1.549 176.156 174.600 0.012 0.000 0.978 150 S CA 0.530 58.753 58.200 0.039 0.000 0.934 150 S CB 0.071 63.310 63.200 0.065 0.000 0.766 150 S HN 0.284 nan 8.310 nan 0.000 0.533 151 L N 1.106 122.320 121.223 -0.015 0.000 2.664 151 L HA 0.183 4.535 4.340 0.019 0.000 0.233 151 L C 0.164 176.987 176.870 -0.077 0.000 1.113 151 L CA -0.080 54.705 54.840 -0.091 0.000 0.896 151 L CB -0.143 41.820 42.059 -0.160 0.000 1.163 151 L HN 0.187 nan 8.230 nan 0.000 0.497 152 T N 0.840 115.379 114.554 -0.024 0.000 2.822 152 T HA 0.188 4.550 4.350 0.019 0.000 0.288 152 T C 1.202 175.910 174.700 0.013 0.000 0.991 152 T CA 1.054 63.156 62.100 0.002 0.000 1.176 152 T CB 0.530 69.415 68.868 0.029 0.000 0.951 152 T HN 0.581 nan 8.240 nan 0.000 0.526 153 G N 2.973 111.791 108.800 0.031 0.000 2.176 153 G HA2 -0.232 3.739 3.960 0.019 0.000 0.253 153 G HA3 -0.232 3.739 3.960 0.019 0.000 0.253 153 G C -0.049 174.915 174.900 0.107 0.000 0.979 153 G CA 0.033 45.190 45.100 0.095 0.000 0.641 153 G HN 0.692 nan 8.290 nan 0.000 0.530 154 K N 0.770 121.139 120.400 -0.051 0.000 2.203 154 K HA 0.573 4.904 4.320 0.019 0.000 0.251 154 K C -2.857 173.512 176.600 -0.386 0.000 0.944 154 K CA -2.336 53.830 56.287 -0.202 0.000 0.829 154 K CB 2.240 34.609 32.500 -0.218 0.000 1.125 154 K HN -0.061 nan 8.250 nan 0.000 0.430 155 P HA 0.086 nan 4.420 nan 0.000 0.271 155 P C -1.202 175.861 177.300 -0.394 0.000 1.220 155 P CA -0.327 62.387 63.100 -0.644 0.000 0.768 155 P CB 0.462 31.682 31.700 -0.800 0.000 0.848 156 K N 3.293 123.465 120.400 -0.381 0.000 2.389 156 K HA 0.420 4.752 4.320 0.019 0.000 0.261 156 K C -0.639 175.808 176.600 -0.255 0.000 1.014 156 K CA -0.064 56.021 56.287 -0.337 0.000 0.920 156 K CB 0.488 32.665 32.500 -0.537 0.000 1.149 156 K HN 0.380 nan 8.250 nan 0.000 0.444 157 L N 4.158 125.118 121.223 -0.438 0.000 2.296 157 L HA 0.553 4.905 4.340 0.019 0.000 0.286 157 L C -0.747 175.758 176.870 -0.607 0.000 1.023 157 L CA -0.775 53.868 54.840 -0.327 0.000 0.812 157 L CB 0.596 42.526 42.059 -0.215 0.000 1.223 157 L HN 0.400 nan 8.230 nan 0.000 0.421 158 F N 3.752 123.547 119.950 -0.259 0.000 2.460 158 F HA 0.511 5.049 4.527 0.018 0.000 0.341 158 F C 0.037 175.759 175.800 -0.130 0.000 1.130 158 F CA -0.380 57.484 58.000 -0.227 0.000 0.962 158 F CB 1.646 40.513 39.000 -0.221 0.000 1.171 158 F HN 0.246 nan 8.300 nan 0.000 0.436 159 I N 5.232 125.822 120.570 0.032 0.000 2.330 159 I HA 0.393 4.575 4.170 0.019 0.000 0.289 159 I C -0.626 175.572 176.117 0.136 0.000 1.001 159 I CA -0.310 61.068 61.300 0.129 0.000 1.193 159 I CB 1.203 39.273 38.000 0.116 0.000 1.345 159 I HN 0.430 nan 8.210 nan 0.000 0.461 160 I N 6.279 126.927 120.570 0.129 0.000 2.420 160 I HA 0.200 4.381 4.170 0.019 0.000 0.282 160 I C -0.319 175.874 176.117 0.127 0.000 1.019 160 I CA -0.614 60.750 61.300 0.106 0.000 1.130 160 I CB 1.402 39.432 38.000 0.050 0.000 1.262 160 I HN 0.466 nan 8.210 nan 0.000 0.454 161 Q N 6.623 126.517 119.800 0.158 0.000 2.571 161 Q HA 0.754 5.105 4.340 0.019 0.000 0.222 161 Q C -1.008 175.022 176.000 0.050 0.000 1.167 161 Q CA -0.241 55.643 55.803 0.134 0.000 0.966 161 Q CB 0.807 29.654 28.738 0.182 0.000 1.274 161 Q HN 0.768 nan 8.270 nan 0.000 0.552 165 G N -0.181 108.611 108.800 -0.013 0.000 2.357 165 G HA2 -0.085 3.887 3.960 0.019 0.000 0.289 165 G HA3 -0.085 3.887 3.960 0.019 0.000 0.289 165 G C 0.151 175.050 174.900 -0.001 0.000 1.302 165 G CA -0.070 45.010 45.100 -0.034 0.000 0.936 165 G HN -0.005 nan 8.290 nan 0.000 0.513 166 T N -2.163 112.366 114.554 -0.041 0.000 3.044 166 T HA 0.380 4.742 4.350 0.019 0.000 0.260 166 T C 0.499 175.172 174.700 -0.044 0.000 1.019 166 T CA 0.552 62.638 62.100 -0.024 0.000 0.921 166 T CB 0.311 69.146 68.868 -0.055 0.000 1.053 166 T HN 0.499 nan 8.240 nan 0.000 0.533 167 E N 1.440 121.558 120.200 -0.136 0.000 2.413 167 E HA 0.279 4.641 4.350 0.019 0.000 0.263 167 E C -0.543 176.104 176.600 0.079 0.000 1.015 167 E CA 0.106 56.387 56.400 -0.198 0.000 0.916 167 E CB 0.791 30.085 29.700 -0.676 0.000 0.947 167 E HN 0.482 nan 8.360 nan 0.000 0.440 168 L N 2.225 123.560 121.223 0.186 0.000 2.334 168 L HA 0.301 4.653 4.340 0.019 0.000 0.273 168 L C 0.167 177.307 176.870 0.449 0.000 1.013 168 L CA -0.817 54.257 54.840 0.389 0.000 0.816 168 L CB 1.415 43.662 42.059 0.313 0.000 1.278 168 L HN 0.377 nan 8.230 nan 0.000 0.431 169 D N 0.823 121.496 120.400 0.454 0.000 2.373 169 D HA 0.155 4.806 4.640 0.019 0.000 0.227 169 D C 0.566 176.983 176.300 0.195 0.000 1.091 169 D CA -0.392 53.785 54.000 0.295 0.000 0.840 169 D CB 1.724 42.581 40.800 0.096 0.000 1.060 169 D HN 0.554 nan 8.370 nan 0.000 0.502 170 C N 3.223 122.612 119.300 0.148 0.000 2.422 170 C HA 0.212 4.684 4.460 0.019 0.000 0.279 170 C C 1.480 176.505 174.990 0.058 0.000 1.305 170 C CA 0.910 59.982 59.018 0.090 0.000 1.757 170 C CB -1.440 26.343 27.740 0.071 0.000 1.962 170 C HN 0.899 nan 8.230 nan 0.000 0.499 171 G N -0.057 108.777 108.800 0.057 0.000 2.829 171 G HA2 -0.021 3.951 3.960 0.019 0.000 0.628 171 G HA3 -0.021 3.951 3.960 0.019 0.000 0.628 171 G C -1.081 173.833 174.900 0.023 0.000 1.412 171 G CA -0.077 45.042 45.100 0.033 0.000 0.864 171 G HN 0.508 nan 8.290 nan 0.000 0.544 172 I N -0.242 120.336 120.570 0.014 0.000 2.894 172 I HA 0.610 4.791 4.170 0.019 0.000 0.302 172 I C 0.346 176.466 176.117 0.005 0.000 1.188 172 I CA -1.054 60.252 61.300 0.011 0.000 1.014 172 I CB 1.729 39.737 38.000 0.013 0.000 1.242 172 I HN 1.042 nan 8.210 nan 0.000 0.430 173 E N 5.095 125.298 120.200 0.005 0.000 2.436 173 E HA 0.148 4.510 4.350 0.019 0.000 0.262 173 E C -0.405 176.195 176.600 -0.001 0.000 1.063 173 E CA 0.649 57.050 56.400 0.002 0.000 0.944 173 E CB 0.170 29.873 29.700 0.004 0.000 0.950 173 E HN 0.820 nan 8.360 nan 0.000 0.444 187 I N -0.022 120.578 120.570 0.049 0.000 2.957 187 I HA 0.749 4.930 4.170 0.019 0.000 0.310 187 I C -2.325 173.833 176.117 0.068 0.000 1.063 187 I CA -2.567 58.769 61.300 0.060 0.000 1.033 187 I CB 1.559 39.601 38.000 0.069 0.000 1.230 187 I HN 0.336 nan 8.210 nan 0.000 0.447 188 P HA 0.131 nan 4.420 nan 0.000 0.271 188 P C 0.899 178.271 177.300 0.120 0.000 1.216 188 P CA -0.614 62.539 63.100 0.088 0.000 0.776 188 P CB 1.234 32.989 31.700 0.091 0.000 0.881 189 V N -0.972 119.012 119.914 0.117 0.000 2.626 189 V HA -0.123 4.008 4.120 0.019 0.000 0.252 189 V C 1.094 177.340 176.094 0.253 0.000 1.067 189 V CA 1.678 64.071 62.300 0.155 0.000 1.081 189 V CB -0.716 31.174 31.823 0.112 0.000 0.686 189 V HN 0.393 nan 8.190 nan 0.000 0.468 190 D N 1.025 121.547 120.400 0.203 0.000 2.340 190 D HA 0.324 4.975 4.640 0.019 0.000 0.220 190 D C 1.046 177.586 176.300 0.401 0.000 1.039 190 D CA 0.805 54.949 54.000 0.240 0.000 0.866 190 D CB 0.550 41.391 40.800 0.068 0.000 0.913 190 D HN 0.679 nan 8.370 nan 0.000 0.523 191 A N 0.660 123.673 122.820 0.321 0.000 2.366 191 A HA 0.162 4.493 4.320 0.019 0.000 0.249 191 A C 0.627 178.369 177.584 0.262 0.000 1.084 191 A CA -0.066 52.135 52.037 0.274 0.000 0.794 191 A CB 0.410 19.516 19.000 0.177 0.000 1.034 191 A HN 0.246 nan 8.150 nan 0.000 0.491 192 D N -1.556 118.970 120.400 0.211 0.000 2.981 192 D HA -0.151 4.500 4.640 0.019 0.000 0.223 192 D C -0.825 175.419 176.300 -0.093 0.000 1.151 192 D CA 1.299 55.354 54.000 0.092 0.000 0.827 192 D CB -1.612 39.204 40.800 0.027 0.000 1.101 192 D HN 0.384 nan 8.370 nan 0.000 0.426 193 F N 0.109 120.115 119.950 0.093 0.000 2.458 193 F HA 0.652 5.191 4.527 0.021 0.000 0.330 193 F C 0.521 176.328 175.800 0.011 0.000 1.082 193 F CA -0.809 57.206 58.000 0.025 0.000 0.995 193 F CB 1.687 40.715 39.000 0.046 0.000 1.170 193 F HN -0.113 nan 8.300 nan 0.000 0.478 194 L N 3.190 124.464 121.223 0.084 0.000 2.436 194 L HA 0.551 4.902 4.340 0.019 0.000 0.268 194 L C -1.873 174.936 176.870 -0.102 0.000 0.974 194 L CA -0.564 54.331 54.840 0.092 0.000 0.826 194 L CB 1.493 43.648 42.059 0.160 0.000 1.291 194 L HN 0.480 nan 8.230 nan 0.000 0.406 195 Y N 3.677 124.056 120.300 0.132 0.000 2.328 195 Y HA 0.640 5.202 4.550 0.020 0.000 0.333 195 Y C 0.319 176.161 175.900 -0.096 0.000 0.958 195 Y CA -0.855 57.206 58.100 -0.066 0.000 1.167 195 Y CB 1.894 40.167 38.460 -0.312 0.000 1.151 195 Y HN 0.588 nan 8.280 nan 0.000 0.470 196 A N 4.458 127.314 122.820 0.060 0.000 2.736 196 A HA 0.483 4.814 4.320 0.019 0.000 0.335 196 A C -1.180 176.397 177.584 -0.012 0.000 1.446 196 A CA -0.498 51.627 52.037 0.147 0.000 1.028 196 A CB -0.840 18.378 19.000 0.363 0.000 1.154 196 A HN 0.691 nan 8.150 nan 0.000 0.507 197 Y N 0.986 121.253 120.300 -0.055 0.000 2.336 197 Y HA 0.164 4.726 4.550 0.020 0.000 0.331 197 Y C 1.934 177.336 175.900 -0.830 0.000 1.211 197 Y CA 0.688 58.629 58.100 -0.264 0.000 1.346 197 Y CB 1.093 39.465 38.460 -0.146 0.000 1.271 197 Y HN 0.742 nan 8.280 nan 0.000 0.538 198 S N -0.503 114.745 115.700 -0.755 0.000 2.481 198 S HA 0.013 4.494 4.470 0.019 0.000 0.231 198 S C 0.423 174.773 174.600 -0.418 0.000 0.996 198 S CA 0.856 58.433 58.200 -1.038 0.000 0.942 198 S CB -0.576 62.368 63.200 -0.427 0.000 0.768 198 S HN 0.773 nan 8.310 nan 0.000 0.520 199 T N -1.512 112.912 114.554 -0.216 0.000 2.762 199 T HA 0.778 5.139 4.350 0.019 0.000 0.301 199 T C -0.530 174.120 174.700 -0.083 0.000 1.299 199 T CA -0.574 61.464 62.100 -0.103 0.000 1.005 199 T CB 1.174 70.022 68.868 -0.033 0.000 1.377 199 T HN 0.376 nan 8.240 nan 0.000 0.504 200 A N 1.219 124.002 122.820 -0.062 0.000 2.351 200 A HA 0.676 5.007 4.320 0.019 0.000 0.257 200 A C -2.547 175.078 177.584 0.069 0.000 1.087 200 A CA -1.520 50.500 52.037 -0.029 0.000 0.798 200 A CB -0.923 18.030 19.000 -0.079 0.000 1.033 200 A HN 0.642 nan 8.150 nan 0.000 0.488 201 P HA 0.197 nan 4.420 nan 0.000 0.262 201 P C 0.999 178.326 177.300 0.045 0.000 1.182 201 P CA 2.108 65.172 63.100 -0.061 0.000 0.761 201 P CB 0.487 32.128 31.700 -0.098 0.000 0.795 202 G N 1.083 109.855 108.800 -0.047 0.000 2.195 202 G HA2 -0.249 3.722 3.960 0.019 0.000 0.246 202 G HA3 -0.249 3.722 3.960 0.019 0.000 0.246 202 G C -0.271 174.483 174.900 -0.242 0.000 0.984 202 G CA -0.371 44.637 45.100 -0.154 0.000 0.633 202 G HN 0.448 nan 8.290 nan 0.000 0.525 203 Y N -0.667 119.614 120.300 -0.031 0.000 2.496 203 Y HA 0.656 5.217 4.550 0.019 0.000 0.331 203 Y C 0.567 176.471 175.900 0.006 0.000 1.140 203 Y CA -1.220 56.889 58.100 0.014 0.000 1.166 203 Y CB 0.860 39.338 38.460 0.030 0.000 1.249 203 Y HN 0.224 nan 8.280 nan 0.000 0.479 204 Y N 0.768 121.108 120.300 0.067 0.000 2.357 204 Y HA 0.331 4.892 4.550 0.019 0.000 0.340 204 Y C 0.033 175.856 175.900 -0.129 0.000 1.260 204 Y CA -0.060 57.973 58.100 -0.111 0.000 1.425 204 Y CB 0.892 39.200 38.460 -0.254 0.000 1.326 204 Y HN 0.457 nan 8.280 nan 0.000 0.580 205 S N 4.553 119.482 115.700 -1.284 0.000 2.552 205 S HA 0.389 4.870 4.470 0.019 0.000 0.314 205 S C -1.656 172.226 174.600 -1.196 0.000 1.099 205 S CA -0.612 57.085 58.200 -0.838 0.000 1.070 205 S CB 0.028 62.929 63.200 -0.499 0.000 0.998 205 S HN 0.616 nan 8.310 nan 0.000 0.474 206 W N 3.919 124.719 121.300 -0.834 0.000 2.316 206 W HA 0.620 5.291 4.660 0.019 0.000 0.321 206 W C 0.769 176.762 176.519 -0.877 0.000 1.203 206 W CA -0.609 56.163 57.345 -0.955 0.000 1.214 206 W CB 0.770 29.107 29.460 -1.873 0.000 1.169 206 W HN 0.445 nan 8.180 nan 0.000 0.561 207 R N 2.065 122.409 120.500 -0.260 0.000 2.725 207 R HA 0.265 4.616 4.340 0.019 0.000 0.277 207 R C -0.805 175.565 176.300 0.116 0.000 0.987 207 R CA -1.109 54.942 56.100 -0.080 0.000 0.901 207 R CB 1.821 32.095 30.300 -0.044 0.000 1.207 207 R HN 0.345 nan 8.270 nan 0.000 0.463 208 N N 0.660 119.496 118.700 0.227 0.000 2.469 208 N HA 0.082 4.833 4.740 0.019 0.000 0.253 208 N C -0.011 175.604 175.510 0.176 0.000 0.970 208 N CA 0.009 53.220 53.050 0.268 0.000 0.940 208 N CB 1.653 40.360 38.487 0.367 0.000 1.128 208 N HN 0.489 nan 8.380 nan 0.000 0.503 209 S N 3.182 118.968 115.700 0.143 0.000 2.400 209 S HA -0.209 4.273 4.470 0.019 0.000 0.234 209 S C 1.550 176.209 174.600 0.098 0.000 1.049 209 S CA 1.477 59.740 58.200 0.105 0.000 1.039 209 S CB 0.085 63.342 63.200 0.095 0.000 0.856 209 S HN 0.722 nan 8.310 nan 0.000 0.465 210 K N 0.427 120.892 120.400 0.109 0.000 2.121 210 K HA -0.014 4.317 4.320 0.019 0.000 0.203 210 K C 0.833 177.492 176.600 0.099 0.000 1.041 210 K CA 1.173 57.515 56.287 0.092 0.000 0.969 210 K CB -0.048 32.502 32.500 0.084 0.000 0.799 210 K HN 0.131 nan 8.250 nan 0.000 0.456 211 D N 0.581 121.059 120.400 0.130 0.000 2.363 211 D HA 0.099 4.751 4.640 0.019 0.000 0.220 211 D C 0.793 177.183 176.300 0.150 0.000 0.994 211 D CA 1.007 55.090 54.000 0.138 0.000 0.890 211 D CB 0.421 41.323 40.800 0.170 0.000 0.906 211 D HN 0.526 nan 8.370 nan 0.000 0.530 212 G N 0.647 109.536 108.800 0.149 0.000 2.663 212 G HA2 -0.107 3.865 3.960 0.019 0.000 0.686 212 G HA3 -0.107 3.865 3.960 0.019 0.000 0.686 212 G C -0.065 174.943 174.900 0.179 0.000 1.288 212 G CA -0.343 44.838 45.100 0.134 0.000 0.836 212 G HN 0.347 nan 8.290 nan 0.000 0.584 213 S N -0.319 115.460 115.700 0.131 0.000 2.585 213 S HA 0.374 4.855 4.470 0.019 0.000 0.273 213 S C 1.255 175.965 174.600 0.183 0.000 1.339 213 S CA 0.669 58.946 58.200 0.128 0.000 1.028 213 S CB 0.797 64.040 63.200 0.072 0.000 0.906 213 S HN 0.896 nan 8.310 nan 0.000 0.528 214 W N 1.360 122.551 121.300 -0.183 0.000 2.318 214 W HA -0.084 4.587 4.660 0.018 0.000 0.313 214 W C 2.090 178.390 176.519 -0.364 0.000 1.221 214 W CA 0.419 57.367 57.345 -0.661 0.000 1.266 214 W CB -1.534 27.485 29.460 -0.736 0.000 1.150 214 W HN 0.893 nan 8.180 nan 0.000 0.496 215 F N 0.263 120.219 119.950 0.009 0.000 2.098 215 F HA -0.095 4.443 4.527 0.018 0.000 0.294 215 F C 2.201 178.028 175.800 0.044 0.000 1.107 215 F CA 1.665 59.680 58.000 0.025 0.000 1.234 215 F CB -0.873 38.153 39.000 0.042 0.000 1.002 215 F HN -0.262 nan 8.300 nan 0.000 0.472 216 I N 0.203 120.721 120.570 -0.087 0.000 2.315 216 I HA -0.269 3.912 4.170 0.019 0.000 0.248 216 I C 2.551 178.603 176.117 -0.107 0.000 1.117 216 I CA 1.331 62.517 61.300 -0.190 0.000 1.404 216 I CB -0.628 37.354 38.000 -0.030 0.000 1.071 216 I HN 0.285 nan 8.210 nan 0.000 0.419 217 Q N 0.557 120.353 119.800 -0.007 0.000 2.077 217 Q HA -0.242 4.109 4.340 0.019 0.000 0.206 217 Q C 2.263 178.287 176.000 0.041 0.000 0.989 217 Q CA 2.455 58.290 55.803 0.053 0.000 0.853 217 Q CB 0.031 28.861 28.738 0.152 0.000 0.907 217 Q HN 0.426 nan 8.270 nan 0.000 0.418 218 S N 0.345 116.060 115.700 0.025 0.000 2.387 218 S HA -0.098 4.384 4.470 0.019 0.000 0.226 218 S C 1.689 176.269 174.600 -0.033 0.000 1.026 218 S CA 0.775 59.010 58.200 0.059 0.000 0.972 218 S CB -0.243 63.032 63.200 0.125 0.000 0.814 218 S HN 0.366 nan 8.310 nan 0.000 0.477 219 L N 1.677 122.781 121.223 -0.198 0.000 1.994 219 L HA -0.088 4.263 4.340 0.019 0.000 0.208 219 L C 2.307 179.112 176.870 -0.107 0.000 1.071 219 L CA 1.785 56.494 54.840 -0.219 0.000 0.745 219 L CB -1.152 40.626 42.059 -0.469 0.000 0.892 219 L HN 0.302 nan 8.230 nan 0.000 0.431 220 C N -0.230 119.004 119.300 -0.111 0.000 2.413 220 C HA -0.151 4.321 4.460 0.019 0.000 0.276 220 C C 3.020 177.967 174.990 -0.072 0.000 1.236 220 C CA 0.739 59.700 59.018 -0.096 0.000 1.735 220 C CB -1.626 26.076 27.740 -0.064 0.000 2.031 220 C HN 0.755 nan 8.230 nan 0.000 0.474 221 A N -0.494 122.306 122.820 -0.033 0.000 1.883 221 A HA -0.259 4.073 4.320 0.019 0.000 0.217 221 A C 2.036 179.610 177.584 -0.018 0.000 1.186 221 A CA 2.321 54.345 52.037 -0.021 0.000 0.624 221 A CB -0.572 18.438 19.000 0.017 0.000 0.822 221 A HN 0.508 nan 8.150 nan 0.000 0.444 222 M N -0.799 118.823 119.600 0.037 0.000 2.254 222 M HA 0.118 4.609 4.480 0.019 0.000 0.265 222 M C 1.895 178.283 176.300 0.148 0.000 1.066 222 M CA 1.061 56.448 55.300 0.146 0.000 1.123 222 M CB -0.422 32.292 32.600 0.190 0.000 1.388 222 M HN 0.394 nan 8.290 nan 0.000 0.425 223 L N -0.922 120.320 121.223 0.032 0.000 2.072 223 L HA -0.215 4.136 4.340 0.019 0.000 0.205 223 L C 2.409 179.228 176.870 -0.084 0.000 1.079 223 L CA 1.200 56.019 54.840 -0.035 0.000 0.752 223 L CB -0.581 41.337 42.059 -0.236 0.000 0.906 223 L HN 0.274 nan 8.230 nan 0.000 0.436 224 K N 0.194 120.524 120.400 -0.116 0.000 2.044 224 K HA -0.305 4.026 4.320 0.019 0.000 0.210 224 K C 2.115 178.636 176.600 -0.133 0.000 1.049 224 K CA 2.142 58.355 56.287 -0.123 0.000 0.927 224 K CB -0.001 32.432 32.500 -0.112 0.000 0.713 224 K HN 0.218 nan 8.250 nan 0.000 0.443 225 Q N -1.479 118.207 119.800 -0.191 0.000 2.389 225 Q HA -0.088 4.263 4.340 0.019 0.000 0.204 225 Q C 0.371 176.092 176.000 -0.465 0.000 0.944 225 Q CA 1.102 56.660 55.803 -0.410 0.000 0.908 225 Q CB 0.338 28.686 28.738 -0.651 0.000 1.002 225 Q HN 0.392 nan 8.270 nan 0.000 0.493 226 Y N -2.541 117.783 120.300 0.040 0.000 2.563 226 Y HA 0.462 5.023 4.550 0.018 0.000 0.273 226 Y C 1.585 177.579 175.900 0.156 0.000 1.034 226 Y CA -0.161 57.992 58.100 0.090 0.000 1.217 226 Y CB -0.080 38.447 38.460 0.111 0.000 1.380 226 Y HN 0.160 nan 8.280 nan 0.000 0.568 227 A N 0.760 123.747 122.820 0.278 0.000 2.084 227 A HA -0.219 4.112 4.320 0.019 0.000 0.221 227 A C 1.731 179.560 177.584 0.409 0.000 1.161 227 A CA 2.248 54.487 52.037 0.337 0.000 0.653 227 A CB -0.562 18.498 19.000 0.100 0.000 0.802 227 A HN 0.489 nan 8.150 nan 0.000 0.457 228 D N -1.659 118.874 120.400 0.222 0.000 2.340 228 D HA 0.038 4.690 4.640 0.019 0.000 0.220 228 D C 1.250 177.465 176.300 -0.142 0.000 1.039 228 D CA 0.800 54.821 54.000 0.035 0.000 0.866 228 D CB 0.112 40.863 40.800 -0.083 0.000 0.913 228 D HN 0.490 nan 8.370 nan 0.000 0.523 229 K N -0.677 119.850 120.400 0.211 0.000 2.431 229 K HA 0.311 4.643 4.320 0.019 0.000 0.213 229 K C 0.582 177.441 176.600 0.431 0.000 1.258 229 K CA -0.117 56.303 56.287 0.222 0.000 0.845 229 K CB 0.695 33.341 32.500 0.243 0.000 1.498 229 K HN -0.039 nan 8.250 nan 0.000 0.451 230 L N 1.777 123.237 121.223 0.393 0.000 2.416 230 L HA 0.276 4.627 4.340 0.019 0.000 0.262 230 L C 0.437 177.455 176.870 0.246 0.000 1.093 230 L CA -0.713 54.316 54.840 0.315 0.000 0.801 230 L CB 0.770 42.923 42.059 0.158 0.000 1.191 230 L HN 0.241 nan 8.230 nan 0.000 0.459 231 E N 0.416 120.608 120.200 -0.014 0.000 2.366 231 E HA -0.046 4.316 4.350 0.019 0.000 0.266 231 E C 0.483 176.985 176.600 -0.163 0.000 1.051 231 E CA -0.207 55.892 56.400 -0.501 0.000 0.884 231 E CB 0.833 30.075 29.700 -0.764 0.000 1.006 231 E HN 0.439 nan 8.360 nan 0.000 0.417 232 F N 4.074 123.812 119.950 -0.353 0.000 2.063 232 F HA -0.308 4.231 4.527 0.020 0.000 0.298 232 F C 1.983 177.745 175.800 -0.064 0.000 1.109 232 F CA 1.675 59.593 58.000 -0.137 0.000 1.212 232 F CB -0.240 38.639 39.000 -0.202 0.000 0.973 232 F HN 0.489 nan 8.300 nan 0.000 0.480 233 M N -0.552 118.928 119.600 -0.201 0.000 2.144 233 M HA -0.261 4.230 4.480 0.019 0.000 0.260 233 M C 2.236 178.505 176.300 -0.051 0.000 1.067 233 M CA 1.798 56.973 55.300 -0.208 0.000 1.095 233 M CB -1.999 30.494 32.600 -0.177 0.000 1.365 233 M HN 0.392 nan 8.290 nan 0.000 0.406 234 H N -0.659 118.360 119.070 -0.085 0.000 2.436 234 H HA 0.029 4.597 4.556 0.020 0.000 0.294 234 H C 2.111 177.385 175.328 -0.090 0.000 1.048 234 H CA 0.361 56.362 56.048 -0.078 0.000 1.353 234 H CB 0.349 30.071 29.762 -0.066 0.000 1.414 234 H HN 0.192 nan 8.280 nan 0.000 0.536 235 I N 1.062 121.674 120.570 0.071 0.000 2.127 235 I HA -0.266 3.915 4.170 0.019 0.000 0.241 235 I C 2.283 178.413 176.117 0.023 0.000 1.075 235 I CA 1.403 62.752 61.300 0.082 0.000 1.334 235 I CB -1.019 37.139 38.000 0.263 0.000 1.040 235 I HN 0.324 nan 8.210 nan 0.000 0.405 236 L N 0.170 121.332 121.223 -0.101 0.000 2.191 236 L HA -0.181 4.170 4.340 0.019 0.000 0.212 236 L C 2.547 179.419 176.870 0.004 0.000 1.103 236 L CA 1.239 56.020 54.840 -0.099 0.000 0.769 236 L CB -0.812 41.077 42.059 -0.283 0.000 0.908 236 L HN 0.284 nan 8.230 nan 0.000 0.438 237 T N -0.896 113.661 114.554 0.006 0.000 2.777 237 T HA -0.102 4.260 4.350 0.019 0.000 0.266 237 T C 1.998 176.714 174.700 0.026 0.000 1.040 237 T CA 0.807 62.922 62.100 0.026 0.000 1.141 237 T CB -0.085 68.801 68.868 0.030 0.000 0.868 237 T HN 0.257 nan 8.240 nan 0.000 0.444 238 R N 0.872 121.379 120.500 0.011 0.000 2.120 238 R HA -0.016 4.336 4.340 0.019 0.000 0.234 238 R C 2.416 178.767 176.300 0.085 0.000 1.123 238 R CA 0.766 56.883 56.100 0.029 0.000 0.975 238 R CB -1.149 29.155 30.300 0.007 0.000 0.866 238 R HN 0.327 nan 8.270 nan 0.000 0.446 239 V N 2.089 122.060 119.914 0.095 0.000 2.358 239 V HA -0.228 3.903 4.120 0.019 0.000 0.246 239 V C 1.829 178.021 176.094 0.163 0.000 1.047 239 V CA 1.747 64.125 62.300 0.130 0.000 1.035 239 V CB -0.558 31.341 31.823 0.127 0.000 0.658 239 V HN 0.259 nan 8.190 nan 0.000 0.452 240 N N 0.256 119.039 118.700 0.139 0.000 2.104 240 N HA -0.187 4.565 4.740 0.019 0.000 0.190 240 N C 1.957 177.531 175.510 0.108 0.000 1.024 240 N CA 1.586 54.712 53.050 0.127 0.000 0.853 240 N CB -0.452 38.087 38.487 0.087 0.000 1.008 240 N HN 0.430 nan 8.380 nan 0.000 0.424 241 R N 1.073 121.622 120.500 0.083 0.000 2.075 241 R HA -0.048 4.304 4.340 0.019 0.000 0.232 241 R C 2.057 178.408 176.300 0.085 0.000 1.126 241 R CA 1.339 57.477 56.100 0.063 0.000 0.963 241 R CB -0.004 30.319 30.300 0.039 0.000 0.858 241 R HN 0.150 nan 8.270 nan 0.000 0.435 242 K N -0.123 120.347 120.400 0.118 0.000 2.001 242 K HA -0.087 4.244 4.320 0.019 0.000 0.208 242 K C 1.862 178.617 176.600 0.258 0.000 1.048 242 K CA 1.584 57.962 56.287 0.151 0.000 0.932 242 K CB 0.042 32.646 32.500 0.173 0.000 0.715 242 K HN 0.050 nan 8.250 nan 0.000 0.437 243 V N 1.397 121.480 119.914 0.281 0.000 2.343 243 V HA -0.245 3.886 4.120 0.019 0.000 0.247 243 V C 2.445 178.685 176.094 0.244 0.000 1.051 243 V CA 2.018 64.506 62.300 0.313 0.000 1.036 243 V CB -0.803 31.157 31.823 0.228 0.000 0.654 243 V HN 0.495 nan 8.190 nan 0.000 0.451 244 A N 0.656 123.569 122.820 0.155 0.000 1.933 244 A HA -0.197 4.135 4.320 0.019 0.000 0.218 244 A C 2.438 180.050 177.584 0.047 0.000 1.175 244 A CA 2.556 54.649 52.037 0.094 0.000 0.628 244 A CB -0.689 18.349 19.000 0.063 0.000 0.814 244 A HN 0.654 nan 8.150 nan 0.000 0.444 245 T N -3.587 110.986 114.554 0.032 0.000 3.042 245 T HA 0.136 4.497 4.350 0.019 0.000 0.245 245 T C 1.493 176.131 174.700 -0.103 0.000 1.029 245 T CA 0.901 62.984 62.100 -0.029 0.000 1.120 245 T CB -0.115 68.738 68.868 -0.025 0.000 0.917 245 T HN 0.492 nan 8.240 nan 0.000 0.467 246 E N -0.052 120.060 120.200 -0.145 0.000 2.385 246 E HA 0.239 4.600 4.350 0.019 0.000 0.194 246 E C -0.715 175.465 176.600 -0.700 0.000 1.013 246 E CA 0.209 56.367 56.400 -0.403 0.000 0.866 246 E CB 0.140 29.537 29.700 -0.505 0.000 0.832 246 E HN 0.491 nan 8.360 nan 0.000 0.500 247 F N 0.619 120.297 119.950 -0.452 0.000 2.508 247 F HA 0.409 4.947 4.527 0.019 0.000 0.325 247 F C 0.025 175.360 175.800 -0.775 0.000 1.090 247 F CA -0.768 56.706 58.000 -0.877 0.000 0.945 247 F CB 1.853 39.891 39.000 -1.603 0.000 1.156 247 F HN -0.280 nan 8.300 nan 0.000 0.463 248 E N 1.335 121.224 120.200 -0.519 0.000 2.343 248 E HA 0.280 4.641 4.350 0.019 0.000 0.286 248 E C -1.289 175.244 176.600 -0.112 0.000 0.915 248 E CA -0.543 55.710 56.400 -0.245 0.000 0.784 248 E CB 1.736 31.330 29.700 -0.176 0.000 1.251 248 E HN 0.641 nan 8.360 nan 0.000 0.407 249 S N 3.571 119.212 115.700 -0.099 0.000 2.576 249 S HA 0.363 4.844 4.470 0.019 0.000 0.276 249 S C -0.419 174.148 174.600 -0.055 0.000 1.339 249 S CA -0.515 57.569 58.200 -0.194 0.000 1.039 249 S CB 0.462 63.070 63.200 -0.986 0.000 0.902 249 S HN 0.418 nan 8.310 nan 0.000 0.516 250 F N 2.260 122.196 119.950 -0.023 0.000 2.482 250 F HA 0.660 5.199 4.527 0.019 0.000 0.331 250 F C -0.134 175.746 175.800 0.134 0.000 1.115 250 F CA -0.161 57.909 58.000 0.117 0.000 0.955 250 F CB 1.892 40.921 39.000 0.049 0.000 1.136 250 F HN 0.808 nan 8.300 nan 0.000 0.452 251 S N 4.812 120.211 115.700 -0.502 0.000 2.537 251 S HA 0.378 4.860 4.470 0.019 0.000 0.270 251 S C 0.205 174.377 174.600 -0.713 0.000 1.142 251 S CA -0.617 57.323 58.200 -0.433 0.000 0.870 251 S CB 0.669 63.935 63.200 0.111 0.000 1.112 251 S HN 0.629 nan 8.310 nan 0.000 0.466 252 F N 1.362 121.158 119.950 -0.258 0.000 2.365 252 F HA 0.098 4.637 4.527 0.019 0.000 0.300 252 F C 1.415 177.148 175.800 -0.112 0.000 1.090 252 F CA 0.505 58.393 58.000 -0.187 0.000 1.408 252 F CB 0.254 39.241 39.000 -0.023 0.000 1.060 252 F HN 0.475 nan 8.300 nan 0.000 0.534 253 D N 0.062 120.545 120.400 0.138 0.000 2.233 253 D HA 0.322 4.973 4.640 0.019 0.000 0.240 253 D C 0.918 177.251 176.300 0.054 0.000 1.074 253 D CA 0.098 54.172 54.000 0.122 0.000 0.838 253 D CB 1.907 42.853 40.800 0.244 0.000 1.124 253 D HN 0.055 nan 8.370 nan 0.000 0.475 254 A N 3.250 126.065 122.820 -0.008 0.000 1.917 254 A HA -0.194 4.138 4.320 0.019 0.000 0.219 254 A C 2.031 179.583 177.584 -0.054 0.000 1.182 254 A CA 2.038 54.072 52.037 -0.004 0.000 0.633 254 A CB -0.750 18.239 19.000 -0.018 0.000 0.819 254 A HN 0.706 nan 8.150 nan 0.000 0.448 255 T N -0.621 113.802 114.554 -0.219 0.000 2.714 255 T HA -0.214 4.148 4.350 0.019 0.000 0.268 255 T C 1.020 175.420 174.700 -0.500 0.000 1.036 255 T CA 2.015 63.818 62.100 -0.495 0.000 1.148 255 T CB -0.472 67.823 68.868 -0.954 0.000 0.856 255 T HN 0.559 nan 8.240 nan 0.000 0.462 256 F N -1.067 118.948 119.950 0.108 0.000 2.661 256 F HA 0.337 4.875 4.527 0.019 0.000 0.306 256 F C 0.736 176.641 175.800 0.175 0.000 1.094 256 F CA -0.855 57.261 58.000 0.193 0.000 1.254 256 F CB 0.091 39.209 39.000 0.198 0.000 1.040 256 F HN 0.115 nan 8.300 nan 0.000 0.562 257 H N 0.604 119.724 119.070 0.082 0.000 2.467 257 H HA 0.598 5.165 4.556 0.019 0.000 0.331 257 H C 0.652 175.969 175.328 -0.018 0.000 1.120 257 H CA -0.440 55.584 56.048 -0.039 0.000 1.270 257 H CB 1.382 31.057 29.762 -0.145 0.000 1.466 257 H HN 0.166 nan 8.280 nan 0.000 0.504 258 A N 3.042 125.365 122.820 -0.828 0.000 2.869 258 A HA -0.182 4.150 4.320 0.019 0.000 0.280 258 A C -0.085 177.379 177.584 -0.201 0.000 1.458 258 A CA 0.747 52.459 52.037 -0.541 0.000 0.776 258 A CB -2.074 16.645 19.000 -0.468 0.000 1.028 258 A HN 0.521 nan 8.150 nan 0.000 0.547 259 K N 0.206 120.513 120.400 -0.156 0.000 2.098 259 K HA 0.664 4.995 4.320 0.019 0.000 0.257 259 K C 0.393 176.994 176.600 0.001 0.000 0.999 259 K CA -0.214 56.069 56.287 -0.006 0.000 0.924 259 K CB 0.814 33.427 32.500 0.187 0.000 1.028 259 K HN 0.414 nan 8.250 nan 0.000 0.466 260 K N 1.139 121.622 120.400 0.138 0.000 2.352 260 K HA 0.410 4.741 4.320 0.019 0.000 0.240 260 K C -0.764 176.021 176.600 0.309 0.000 1.017 260 K CA -0.793 55.609 56.287 0.192 0.000 0.851 260 K CB 2.073 34.628 32.500 0.093 0.000 1.261 260 K HN 0.574 nan 8.250 nan 0.000 0.451 261 Q N 0.902 120.900 119.800 0.330 0.000 2.353 261 Q HA 0.453 4.805 4.340 0.019 0.000 0.275 261 Q C -1.719 174.383 176.000 0.170 0.000 1.029 261 Q CA -0.585 55.393 55.803 0.291 0.000 0.848 261 Q CB 1.914 30.957 28.738 0.509 0.000 1.390 261 Q HN 0.489 nan 8.270 nan 0.000 0.401 262 I N 4.862 125.459 120.570 0.044 0.000 2.466 262 I HA 0.530 4.711 4.170 0.019 0.000 0.289 262 I C -2.543 173.574 176.117 0.001 0.000 1.026 262 I CA -2.361 58.956 61.300 0.028 0.000 1.078 262 I CB 2.007 39.990 38.000 -0.027 0.000 1.249 262 I HN 0.630 nan 8.210 nan 0.000 0.429 263 P HA 0.186 nan 4.420 nan 0.000 0.277 263 P C -1.133 176.155 177.300 -0.020 0.000 1.276 263 P CA -0.417 62.649 63.100 -0.057 0.000 0.788 263 P CB 0.776 32.483 31.700 0.011 0.000 1.114 264 C N 1.999 121.292 119.300 -0.012 0.000 2.442 264 C HA 0.468 4.939 4.460 0.019 0.000 0.335 264 C C -0.959 174.118 174.990 0.145 0.000 1.134 264 C CA -0.718 58.335 59.018 0.058 0.000 1.344 264 C CB -1.102 26.653 27.740 0.026 0.000 1.956 264 C HN 0.289 nan 8.230 nan 0.000 0.438 265 I N 7.094 127.732 120.570 0.114 0.000 2.337 265 I HA 0.296 4.477 4.170 0.019 0.000 0.291 265 I C 0.202 176.415 176.117 0.159 0.000 1.046 265 I CA -0.109 61.264 61.300 0.122 0.000 1.324 265 I CB 0.904 38.937 38.000 0.055 0.000 1.409 265 I HN 0.384 nan 8.210 nan 0.000 0.494 266 V N 5.524 125.581 119.914 0.239 0.000 2.313 266 V HA 0.332 4.463 4.120 0.019 0.000 0.278 266 V C 0.338 176.609 176.094 0.296 0.000 1.017 266 V CA -0.421 62.039 62.300 0.266 0.000 0.823 266 V CB 1.334 33.355 31.823 0.329 0.000 1.010 266 V HN 0.813 nan 8.190 nan 0.000 0.443 267 S N 6.353 122.180 115.700 0.211 0.000 2.530 267 S HA 0.587 5.068 4.470 0.019 0.000 0.322 267 S C 0.380 175.100 174.600 0.199 0.000 1.085 267 S CA -0.758 57.561 58.200 0.198 0.000 1.096 267 S CB 0.801 64.079 63.200 0.130 0.000 0.988 267 S HN 0.635 nan 8.310 nan 0.000 0.466 268 M N 5.286 125.034 119.600 0.247 0.000 2.576 268 M HA 0.307 4.799 4.480 0.019 0.000 0.322 268 M C -0.350 176.082 176.300 0.219 0.000 1.184 268 M CA -0.089 55.347 55.300 0.227 0.000 0.967 268 M CB -0.872 31.894 32.600 0.276 0.000 1.372 268 M HN 0.404 nan 8.290 nan 0.000 0.509 269 L N 1.815 123.162 121.223 0.208 0.000 2.483 269 L HA 0.089 4.440 4.340 0.019 0.000 0.275 269 L C 1.517 178.490 176.870 0.170 0.000 1.220 269 L CA 0.378 55.365 54.840 0.245 0.000 0.833 269 L CB 0.467 42.685 42.059 0.266 0.000 1.102 269 L HN 0.420 nan 8.230 nan 0.000 0.490 270 T N -2.373 112.267 114.554 0.145 0.000 3.040 270 T HA 0.286 4.647 4.350 0.019 0.000 0.266 270 T C 0.340 174.934 174.700 -0.178 0.000 1.005 270 T CA -0.287 61.813 62.100 0.000 0.000 0.906 270 T CB 0.321 69.198 68.868 0.014 0.000 1.082 270 T HN 0.512 nan 8.240 nan 0.000 0.531 271 K N 0.707 120.901 120.400 -0.342 0.000 2.533 271 K HA 0.464 4.795 4.320 0.019 0.000 0.272 271 K C -1.058 175.394 176.600 -0.246 0.000 0.985 271 K CA -0.862 55.120 56.287 -0.508 0.000 0.876 271 K CB 2.372 34.179 32.500 -1.156 0.000 1.452 271 K HN 0.170 nan 8.250 nan 0.000 0.439 272 E N 1.012 121.114 120.200 -0.163 0.000 2.373 272 E HA 0.181 4.542 4.350 0.019 0.000 0.263 272 E C -0.916 175.633 176.600 -0.085 0.000 1.073 272 E CA -0.516 55.807 56.400 -0.127 0.000 0.894 272 E CB 0.674 30.326 29.700 -0.080 0.000 1.008 272 E HN 0.109 nan 8.360 nan 0.000 0.420 273 L N 3.311 124.367 121.223 -0.278 0.000 2.342 273 L HA 0.339 4.690 4.340 0.019 0.000 0.276 273 L C -1.943 174.508 176.870 -0.699 0.000 0.997 273 L CA -0.552 54.112 54.840 -0.293 0.000 0.838 273 L CB 0.414 42.341 42.059 -0.221 0.000 1.224 273 L HN 0.395 nan 8.230 nan 0.000 0.416 274 Y N 4.880 124.956 120.300 -0.374 0.000 2.341 274 Y HA 0.374 4.935 4.550 0.017 0.000 0.338 274 Y C 0.314 175.924 175.900 -0.483 0.000 0.965 274 Y CA -0.454 57.342 58.100 -0.508 0.000 1.108 274 Y CB 1.394 39.393 38.460 -0.768 0.000 1.180 274 Y HN 0.509 nan 8.280 nan 0.000 0.458 275 F N 1.358 121.285 119.950 -0.038 0.000 2.802 275 F HA -0.009 4.528 4.527 0.018 0.000 0.300 275 F C 0.355 176.207 175.800 0.087 0.000 1.168 275 F CA -0.374 57.638 58.000 0.020 0.000 1.433 275 F CB -0.746 38.280 39.000 0.044 0.000 1.115 275 F HN 0.473 nan 8.300 nan 0.000 0.582 276 Y N -3.558 116.868 120.300 0.210 0.000 2.732 276 Y HA 0.595 5.157 4.550 0.020 0.000 0.327 276 Y C 0.693 176.668 175.900 0.126 0.000 1.162 276 Y CA -2.302 55.861 58.100 0.105 0.000 1.238 276 Y CB -0.212 38.241 38.460 -0.012 0.000 1.443 276 Y HN 0.012 nan 8.280 nan 0.000 0.584 277 H N 0.000 119.255 119.070 0.308 0.000 2.539 277 H HA 0.000 4.567 4.556 0.018 0.000 0.296 277 H CA 0.000 56.141 56.048 0.155 0.000 1.023 277 H CB 0.000 29.845 29.762 0.139 0.000 1.292 277 H HN 0.000 nan 8.280 nan 0.000 0.496