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 2pn0_1_B DATA FIRST_RESID 4 DATA SEQUENCE KPKIXISSLD AERLEILLET LSQNAFPGRD DLEAELARAE VVDPEEIPPT DATA SEQUENCE VVTXNSTVRF RVESSAEEFX LTLVYPKDVD TSGEKISILA PVGSALLGLA DATA SEQUENCE QGDEIEWPKP GGGVLRVRIV EVTY 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.607 176.600 0.011 0.000 0.988 4 K CA 0.000 56.293 56.287 0.011 0.000 0.838 4 K CB 0.000 32.505 32.500 0.009 0.000 1.064 5 P HA 0.198 nan 4.420 nan 0.000 0.267 5 P C -0.905 176.403 177.300 0.013 0.000 1.205 5 P CA 0.293 63.400 63.100 0.012 0.000 0.765 5 P CB 0.687 32.395 31.700 0.013 0.000 0.828 6 K N 2.146 122.553 120.400 0.012 0.000 2.118 6 K HA 0.440 4.772 4.320 0.019 0.000 0.267 6 K C 0.799 177.407 176.600 0.013 0.000 0.991 6 K CA -0.843 55.452 56.287 0.013 0.000 0.916 6 K CB 1.000 33.507 32.500 0.011 0.000 1.041 6 K HN 0.497 nan 8.250 nan 0.000 0.455 10 S N 3.922 119.624 115.700 0.004 0.000 2.579 10 S HA 0.233 4.715 4.470 0.019 0.000 0.275 10 S C 0.890 175.499 174.600 0.015 0.000 1.345 10 S CA 0.299 58.500 58.200 0.001 0.000 1.031 10 S CB 1.465 64.659 63.200 -0.010 0.000 0.892 10 S HN 0.734 nan 8.310 nan 0.000 0.529 11 S N 1.223 116.929 115.700 0.010 0.000 2.365 11 S HA -0.134 4.348 4.470 0.019 0.000 0.225 11 S C 1.672 176.287 174.600 0.024 0.000 1.039 11 S CA 1.438 59.647 58.200 0.014 0.000 1.033 11 S CB -0.738 62.467 63.200 0.007 0.000 0.887 11 S HN 0.677 nan 8.310 nan 0.000 0.447 12 L N 2.015 123.253 121.223 0.025 0.000 2.056 12 L HA -0.086 4.266 4.340 0.019 0.000 0.207 12 L C 1.613 178.526 176.870 0.070 0.000 1.078 12 L CA 1.838 56.700 54.840 0.035 0.000 0.749 12 L CB -0.925 41.153 42.059 0.031 0.000 0.901 12 L HN 0.081 nan 8.230 nan 0.000 0.433 13 D N -0.242 120.214 120.400 0.093 0.000 2.092 13 D HA -0.193 4.459 4.640 0.019 0.000 0.193 13 D C 2.222 178.597 176.300 0.124 0.000 0.994 13 D CA 1.708 55.797 54.000 0.148 0.000 0.828 13 D CB -0.278 40.579 40.800 0.095 0.000 0.963 13 D HN 0.461 nan 8.370 nan 0.000 0.450 14 A N 0.514 123.379 122.820 0.075 0.000 1.902 14 A HA -0.236 4.095 4.320 0.019 0.000 0.217 14 A C 2.121 179.742 177.584 0.062 0.000 1.181 14 A CA 1.969 54.043 52.037 0.061 0.000 0.623 14 A CB -0.653 18.371 19.000 0.040 0.000 0.818 14 A HN 0.325 nan 8.150 nan 0.000 0.443 15 E N -0.327 119.904 120.200 0.051 0.000 2.031 15 E HA -0.207 4.155 4.350 0.019 0.000 0.193 15 E C 2.292 178.915 176.600 0.038 0.000 0.994 15 E CA 1.077 57.499 56.400 0.036 0.000 0.800 15 E CB -0.137 29.575 29.700 0.020 0.000 0.752 15 E HN 0.587 nan 8.360 nan 0.000 0.447 16 R N 0.105 120.633 120.500 0.046 0.000 2.081 16 R HA -0.096 4.256 4.340 0.019 0.000 0.235 16 R C 2.630 178.989 176.300 0.100 0.000 1.131 16 R CA 1.196 57.304 56.100 0.013 0.000 0.960 16 R CB -0.301 29.944 30.300 -0.093 0.000 0.856 16 R HN 0.287 nan 8.270 nan 0.000 0.436 17 L N 0.606 121.941 121.223 0.187 0.000 2.056 17 L HA -0.159 4.192 4.340 0.019 0.000 0.207 17 L C 2.720 179.658 176.870 0.114 0.000 1.078 17 L CA 1.260 56.212 54.840 0.186 0.000 0.749 17 L CB -0.475 41.674 42.059 0.148 0.000 0.901 17 L HN 0.305 nan 8.230 nan 0.000 0.433 18 E N 0.954 121.205 120.200 0.085 0.000 2.085 18 E HA -0.253 4.108 4.350 0.019 0.000 0.194 18 E C 2.237 178.871 176.600 0.058 0.000 0.994 18 E CA 1.511 57.950 56.400 0.066 0.000 0.801 18 E CB -0.060 29.669 29.700 0.049 0.000 0.743 18 E HN 0.507 nan 8.360 nan 0.000 0.453 19 I N 0.657 121.255 120.570 0.046 0.000 2.286 19 I HA -0.228 3.953 4.170 0.019 0.000 0.245 19 I C 2.581 178.720 176.117 0.037 0.000 1.104 19 I CA 0.384 61.702 61.300 0.030 0.000 1.397 19 I CB -0.241 37.763 38.000 0.007 0.000 1.072 19 I HN 0.214 nan 8.210 nan 0.000 0.417 20 L N 0.667 121.920 121.223 0.049 0.000 2.013 20 L HA -0.238 4.113 4.340 0.019 0.000 0.212 20 L C 2.225 179.140 176.870 0.075 0.000 1.073 20 L CA 2.021 56.895 54.840 0.057 0.000 0.753 20 L CB -0.612 41.505 42.059 0.095 0.000 0.890 20 L HN 0.088 nan 8.230 nan 0.000 0.432 21 L N 0.169 121.453 121.223 0.101 0.000 2.131 21 L HA -0.191 4.160 4.340 0.019 0.000 0.210 21 L C 2.543 179.477 176.870 0.107 0.000 1.092 21 L CA 2.021 56.947 54.840 0.143 0.000 0.759 21 L CB -1.135 41.018 42.059 0.155 0.000 0.903 21 L HN 0.650 nan 8.230 nan 0.000 0.435 22 E N -1.254 118.989 120.200 0.072 0.000 2.511 22 E HA -0.105 4.256 4.350 0.019 0.000 0.196 22 E C 1.191 177.817 176.600 0.045 0.000 1.066 22 E CA 1.013 57.444 56.400 0.052 0.000 0.871 22 E CB -0.241 29.481 29.700 0.037 0.000 0.863 22 E HN 0.504 nan 8.360 nan 0.000 0.520 23 T N -1.295 113.289 114.554 0.050 0.000 3.105 23 T HA 0.312 4.673 4.350 0.019 0.000 0.253 23 T C 0.367 175.099 174.700 0.053 0.000 1.047 23 T CA -0.456 61.668 62.100 0.040 0.000 0.944 23 T CB -0.089 68.795 68.868 0.027 0.000 1.016 23 T HN 0.035 nan 8.240 nan 0.000 0.544 24 L N 2.080 123.350 121.223 0.079 0.000 2.354 24 L HA 0.610 4.961 4.340 0.019 0.000 0.269 24 L C 0.548 177.471 176.870 0.089 0.000 1.005 24 L CA -1.227 53.676 54.840 0.106 0.000 0.819 24 L CB 2.262 44.435 42.059 0.189 0.000 1.311 24 L HN 0.232 nan 8.230 nan 0.000 0.423 25 S N 0.685 116.430 115.700 0.074 0.000 2.596 25 S HA 0.081 4.563 4.470 0.019 0.000 0.260 25 S C 0.685 175.300 174.600 0.026 0.000 1.336 25 S CA -0.413 57.812 58.200 0.042 0.000 0.993 25 S CB 0.862 64.080 63.200 0.031 0.000 0.923 25 S HN 0.669 nan 8.310 nan 0.000 0.567 26 Q N 1.168 120.964 119.800 -0.007 0.000 2.291 26 Q HA -0.090 4.262 4.340 0.019 0.000 0.205 26 Q C 1.203 177.144 176.000 -0.099 0.000 0.970 26 Q CA 1.207 56.980 55.803 -0.051 0.000 0.876 26 Q CB -0.405 28.308 28.738 -0.042 0.000 0.935 26 Q HN 0.932 nan 8.270 nan 0.000 0.455 27 N N -0.789 117.876 118.700 -0.059 0.000 2.230 27 N HA 0.086 4.837 4.740 0.019 0.000 0.202 27 N C 1.268 176.760 175.510 -0.029 0.000 1.119 27 N CA 0.629 53.641 53.050 -0.064 0.000 0.851 27 N CB 0.103 38.571 38.487 -0.032 0.000 0.990 27 N HN -0.002 nan 8.380 nan 0.000 0.497 28 A N 0.587 123.421 122.820 0.023 0.000 1.986 28 A HA 0.043 4.375 4.320 0.019 0.000 0.220 28 A C 0.608 178.349 177.584 0.262 0.000 1.171 28 A CA 1.156 53.286 52.037 0.155 0.000 0.640 28 A CB -0.642 18.514 19.000 0.261 0.000 0.811 28 A HN 0.563 nan 8.150 nan 0.000 0.451 29 F N -3.685 116.264 119.950 -0.002 0.000 2.641 29 F HA 0.687 5.226 4.527 0.019 0.000 0.308 29 F C -3.218 172.579 175.800 -0.006 0.000 1.105 29 F CA -3.047 54.950 58.000 -0.006 0.000 0.964 29 F CB 0.956 39.952 39.000 -0.007 0.000 1.294 29 F HN -0.218 nan 8.300 nan 0.000 0.442 30 P HA 0.303 nan 4.420 nan 0.000 0.271 30 P C 0.619 177.888 177.300 -0.053 0.000 1.216 30 P CA 1.006 64.086 63.100 -0.034 0.000 0.771 30 P CB 1.187 32.904 31.700 0.027 0.000 0.864 31 G N 2.624 111.349 108.800 -0.125 0.000 2.176 31 G HA2 -0.324 3.648 3.960 0.019 0.000 0.253 31 G HA3 -0.324 3.648 3.960 0.019 0.000 0.253 31 G C 1.251 176.042 174.900 -0.181 0.000 0.979 31 G CA 0.403 45.459 45.100 -0.074 0.000 0.641 31 G HN 0.660 nan 8.290 nan 0.000 0.530 32 R N 0.570 120.707 120.500 -0.604 0.000 2.094 32 R HA -0.157 4.195 4.340 0.019 0.000 0.239 32 R C 1.976 178.118 176.300 -0.263 0.000 1.137 32 R CA 2.343 57.956 56.100 -0.812 0.000 0.943 32 R CB -0.425 29.184 30.300 -1.152 0.000 0.850 32 R HN 0.373 nan 8.270 nan 0.000 0.433 33 D N 0.508 120.786 120.400 -0.203 0.000 2.149 33 D HA -0.150 4.501 4.640 0.019 0.000 0.198 33 D C 1.536 177.808 176.300 -0.047 0.000 0.990 33 D CA 1.291 55.233 54.000 -0.097 0.000 0.839 33 D CB -0.377 40.373 40.800 -0.082 0.000 0.948 33 D HN 0.341 nan 8.370 nan 0.000 0.460 34 D N -0.017 120.357 120.400 -0.043 0.000 2.144 34 D HA -0.103 4.548 4.640 0.019 0.000 0.200 34 D C 2.188 178.502 176.300 0.023 0.000 0.978 34 D CA 0.271 54.269 54.000 -0.004 0.000 0.833 34 D CB -0.150 40.651 40.800 0.002 0.000 0.961 34 D HN 0.151 nan 8.370 nan 0.000 0.470 35 L N 1.575 122.825 121.223 0.044 0.000 2.056 35 L HA -0.106 4.246 4.340 0.019 0.000 0.207 35 L C 1.969 178.883 176.870 0.073 0.000 1.078 35 L CA 1.641 56.534 54.840 0.089 0.000 0.749 35 L CB -0.422 41.749 42.059 0.186 0.000 0.901 35 L HN -0.077 nan 8.230 nan 0.000 0.433 36 E N -0.330 119.905 120.200 0.058 0.000 2.085 36 E HA -0.249 4.112 4.350 0.019 0.000 0.194 36 E C 2.147 178.766 176.600 0.032 0.000 0.994 36 E CA 1.248 57.675 56.400 0.046 0.000 0.801 36 E CB -0.310 29.406 29.700 0.026 0.000 0.743 36 E HN 0.659 nan 8.360 nan 0.000 0.453 37 A N 1.397 124.229 122.820 0.020 0.000 1.902 37 A HA -0.258 4.073 4.320 0.019 0.000 0.217 37 A C 2.057 179.654 177.584 0.022 0.000 1.181 37 A CA 1.669 53.716 52.037 0.016 0.000 0.623 37 A CB -0.472 18.534 19.000 0.009 0.000 0.818 37 A HN 0.267 nan 8.150 nan 0.000 0.443 38 E N -0.183 120.034 120.200 0.028 0.000 2.051 38 E HA -0.168 4.193 4.350 0.019 0.000 0.192 38 E C 1.926 178.544 176.600 0.031 0.000 0.991 38 E CA 1.200 57.618 56.400 0.030 0.000 0.799 38 E CB -0.200 29.522 29.700 0.036 0.000 0.748 38 E HN 0.632 nan 8.360 nan 0.000 0.449 39 L N 0.213 121.458 121.223 0.037 0.000 2.093 39 L HA -0.100 4.251 4.340 0.019 0.000 0.208 39 L C 2.630 179.518 176.870 0.030 0.000 1.085 39 L CA 0.820 55.683 54.840 0.038 0.000 0.755 39 L CB -0.402 41.686 42.059 0.049 0.000 0.904 39 L HN 0.208 nan 8.230 nan 0.000 0.435 40 A N 1.078 123.914 122.820 0.028 0.000 1.972 40 A HA -0.199 4.133 4.320 0.019 0.000 0.219 40 A C 2.228 179.823 177.584 0.018 0.000 1.169 40 A CA 1.766 53.816 52.037 0.022 0.000 0.635 40 A CB -0.446 18.565 19.000 0.019 0.000 0.810 40 A HN 0.587 nan 8.150 nan 0.000 0.446 41 R N -1.186 119.325 120.500 0.018 0.000 2.432 41 R HA 0.566 4.918 4.340 0.019 0.000 0.260 41 R C 0.616 176.925 176.300 0.015 0.000 0.935 41 R CA 0.429 56.537 56.100 0.015 0.000 1.080 41 R CB -0.273 30.035 30.300 0.013 0.000 1.155 41 R HN 0.257 nan 8.270 nan 0.000 0.531 42 A N 1.878 124.709 122.820 0.018 0.000 2.466 42 A HA 0.070 4.402 4.320 0.019 0.000 0.238 42 A C -0.420 177.172 177.584 0.013 0.000 1.074 42 A CA -0.196 51.851 52.037 0.017 0.000 0.774 42 A CB 0.173 19.186 19.000 0.020 0.000 1.015 42 A HN 0.458 nan 8.150 nan 0.000 0.498 43 E N 1.011 121.217 120.200 0.011 0.000 1.996 43 E HA 0.321 4.682 4.350 0.019 0.000 0.280 43 E C -0.992 175.612 176.600 0.007 0.000 1.092 43 E CA -0.298 56.106 56.400 0.008 0.000 0.862 43 E CB 0.794 30.497 29.700 0.005 0.000 1.066 43 E HN 0.372 nan 8.360 nan 0.000 0.396 44 V N 4.934 124.853 119.914 0.008 0.000 2.432 44 V HA 0.179 4.311 4.120 0.019 0.000 0.271 44 V C 0.405 176.501 176.094 0.003 0.000 1.046 44 V CA -0.379 61.926 62.300 0.008 0.000 0.945 44 V CB 0.594 32.424 31.823 0.012 0.000 0.992 44 V HN 0.414 nan 8.190 nan 0.000 0.471 45 V N 1.350 121.264 119.914 -0.000 0.000 3.141 45 V HA 0.662 4.794 4.120 0.019 0.000 0.312 45 V C -0.341 175.747 176.094 -0.010 0.000 1.157 45 V CA -1.116 61.180 62.300 -0.006 0.000 1.041 45 V CB 2.038 33.856 31.823 -0.009 0.000 1.071 45 V HN 0.662 nan 8.190 nan 0.000 0.441 46 D N 2.470 122.862 120.400 -0.013 0.000 2.458 46 D HA 0.199 4.850 4.640 0.019 0.000 0.243 46 D C -1.428 174.854 176.300 -0.030 0.000 1.146 46 D CA -1.440 52.549 54.000 -0.019 0.000 0.877 46 D CB 1.788 42.577 40.800 -0.017 0.000 1.176 46 D HN 0.436 nan 8.370 nan 0.000 0.461 47 P HA -0.140 nan 4.420 nan 0.000 0.219 47 P C 0.805 178.062 177.300 -0.072 0.000 1.146 47 P CA 0.870 63.930 63.100 -0.066 0.000 0.808 47 P CB 0.319 31.964 31.700 -0.093 0.000 0.779 48 E N -0.074 120.092 120.200 -0.056 0.000 2.338 48 E HA -0.128 4.233 4.350 0.019 0.000 0.197 48 E C 1.443 178.020 176.600 -0.039 0.000 1.007 48 E CA 0.747 57.117 56.400 -0.050 0.000 0.849 48 E CB -0.192 29.485 29.700 -0.038 0.000 0.774 48 E HN 0.400 nan 8.360 nan 0.000 0.506 49 E N 0.058 120.238 120.200 -0.034 0.000 2.479 49 E HA 0.102 4.464 4.350 0.019 0.000 0.193 49 E C 0.554 177.138 176.600 -0.026 0.000 1.049 49 E CA -0.070 56.315 56.400 -0.025 0.000 0.870 49 E CB 0.373 30.062 29.700 -0.019 0.000 0.944 49 E HN 0.282 nan 8.360 nan 0.000 0.492 50 I N 3.481 124.030 120.570 -0.036 0.000 2.352 50 I HA 0.120 4.302 4.170 0.019 0.000 0.290 50 I C -2.053 174.044 176.117 -0.034 0.000 1.036 50 I CA -1.978 59.302 61.300 -0.034 0.000 1.336 50 I CB 0.735 38.711 38.000 -0.041 0.000 1.407 50 I HN -0.253 nan 8.210 nan 0.000 0.497 51 P HA 0.100 nan 4.420 nan 0.000 0.269 51 P C -2.054 175.232 177.300 -0.023 0.000 1.215 51 P CA -1.227 61.860 63.100 -0.022 0.000 0.780 51 P CB -0.120 31.570 31.700 -0.017 0.000 0.898 52 P HA -0.072 nan 4.420 nan 0.000 0.237 52 P C 0.785 178.075 177.300 -0.015 0.000 1.178 52 P CA 1.095 64.186 63.100 -0.015 0.000 0.766 52 P CB -0.406 31.288 31.700 -0.010 0.000 0.876 53 T N -3.930 110.612 114.554 -0.020 0.000 3.107 53 T HA 0.147 4.509 4.350 0.019 0.000 0.249 53 T C 0.716 175.401 174.700 -0.025 0.000 1.096 53 T CA -0.104 61.981 62.100 -0.026 0.000 1.012 53 T CB -0.399 68.454 68.868 -0.024 0.000 0.977 53 T HN -0.179 nan 8.240 nan 0.000 0.527 54 V N 2.516 122.419 119.914 -0.018 0.000 2.427 54 V HA 0.352 4.484 4.120 0.019 0.000 0.286 54 V C 0.226 176.315 176.094 -0.008 0.000 1.034 54 V CA -1.071 61.222 62.300 -0.013 0.000 0.893 54 V CB 1.748 33.565 31.823 -0.010 0.000 0.982 54 V HN 0.229 nan 8.190 nan 0.000 0.452 55 V N 5.656 125.567 119.914 -0.006 0.000 2.485 55 V HA 0.257 4.389 4.120 0.019 0.000 0.287 55 V C 0.813 176.914 176.094 0.011 0.000 1.022 55 V CA 0.310 62.612 62.300 0.003 0.000 1.067 55 V CB 0.698 32.525 31.823 0.006 0.000 0.967 55 V HN 1.108 nan 8.190 nan 0.000 0.479 59 S N 0.734 116.477 115.700 0.071 0.000 2.584 59 S HA 0.424 4.906 4.470 0.019 0.000 0.273 59 S C 0.314 174.915 174.600 0.002 0.000 1.311 59 S CA 0.263 58.506 58.200 0.072 0.000 1.034 59 S CB 1.399 64.647 63.200 0.080 0.000 0.939 59 S HN 0.018 nan 8.310 nan 0.000 0.513 60 T N 2.848 117.394 114.554 -0.014 0.000 2.767 60 T HA 0.434 4.796 4.350 0.019 0.000 0.284 60 T C -0.478 174.192 174.700 -0.050 0.000 0.973 60 T CA -0.435 61.655 62.100 -0.018 0.000 0.996 60 T CB 0.705 69.558 68.868 -0.024 0.000 0.927 60 T HN 0.313 nan 8.240 nan 0.000 0.456 61 V N 4.554 124.428 119.914 -0.068 0.000 2.384 61 V HA 0.488 4.620 4.120 0.019 0.000 0.287 61 V C 0.291 176.142 176.094 -0.405 0.000 1.020 61 V CA -0.972 61.167 62.300 -0.269 0.000 0.850 61 V CB 1.398 33.028 31.823 -0.323 0.000 0.987 61 V HN 0.694 nan 8.190 nan 0.000 0.436 62 R N 3.796 124.026 120.500 -0.450 0.000 2.265 62 R HA 0.608 4.959 4.340 0.019 0.000 0.319 62 R C -1.478 174.445 176.300 -0.630 0.000 1.006 62 R CA -0.335 55.538 56.100 -0.378 0.000 0.880 62 R CB 0.747 30.930 30.300 -0.195 0.000 1.077 62 R HN 0.542 nan 8.270 nan 0.000 0.454 63 F N 2.489 122.195 119.950 -0.406 0.000 2.492 63 F HA 0.504 5.042 4.527 0.018 0.000 0.327 63 F C 0.429 175.952 175.800 -0.463 0.000 1.079 63 F CA -0.789 56.917 58.000 -0.490 0.000 0.967 63 F CB 1.641 40.118 39.000 -0.870 0.000 1.169 63 F HN 0.302 nan 8.300 nan 0.000 0.472 64 R N 1.792 122.236 120.500 -0.094 0.000 2.480 64 R HA 0.640 4.992 4.340 0.019 0.000 0.306 64 R C -1.579 174.711 176.300 -0.016 0.000 0.958 64 R CA -0.659 55.405 56.100 -0.060 0.000 0.861 64 R CB 1.586 31.860 30.300 -0.044 0.000 1.171 64 R HN 0.574 nan 8.270 nan 0.000 0.445 65 V N 3.996 123.918 119.914 0.014 0.000 2.673 65 V HA -0.022 4.109 4.120 0.019 0.000 0.303 65 V C 0.514 176.604 176.094 -0.007 0.000 1.046 65 V CA 0.285 62.592 62.300 0.011 0.000 1.126 65 V CB 0.861 32.704 31.823 0.034 0.000 0.934 65 V HN 0.808 nan 8.190 nan 0.000 0.487 66 E N 2.616 122.803 120.200 -0.021 0.000 2.415 66 E HA 0.129 4.491 4.350 0.019 0.000 0.262 66 E C 0.710 177.302 176.600 -0.014 0.000 1.038 66 E CA 0.407 56.797 56.400 -0.017 0.000 0.921 66 E CB 0.250 29.937 29.700 -0.022 0.000 0.950 66 E HN 0.817 nan 8.360 nan 0.000 0.438 67 S N 0.436 116.130 115.700 -0.010 0.000 3.641 67 S HA -0.187 4.294 4.470 0.019 0.000 0.346 67 S C -0.345 174.252 174.600 -0.005 0.000 1.074 67 S CA 1.113 59.308 58.200 -0.008 0.000 1.026 67 S CB -1.096 62.098 63.200 -0.010 0.000 0.908 67 S HN 0.568 nan 8.310 nan 0.000 0.479 68 S N -1.341 114.358 115.700 -0.003 0.000 2.587 68 S HA 0.760 5.241 4.470 0.019 0.000 0.269 68 S C 0.215 174.818 174.600 0.006 0.000 1.154 68 S CA 0.070 58.272 58.200 0.003 0.000 0.824 68 S CB 1.475 64.679 63.200 0.007 0.000 1.118 68 S HN 0.889 nan 8.310 nan 0.000 0.462 69 A N 1.121 123.948 122.820 0.011 0.000 2.348 69 A HA 0.375 4.707 4.320 0.019 0.000 0.224 69 A C 0.532 178.131 177.584 0.026 0.000 1.227 69 A CA 0.016 52.061 52.037 0.013 0.000 0.885 69 A CB -0.368 18.639 19.000 0.011 0.000 0.933 69 A HN 0.775 nan 8.150 nan 0.000 0.506 70 E N 1.317 121.542 120.200 0.042 0.000 2.417 70 E HA 0.163 4.525 4.350 0.019 0.000 0.261 70 E C -0.554 176.103 176.600 0.095 0.000 1.000 70 E CA 0.298 56.745 56.400 0.079 0.000 0.919 70 E CB 0.289 30.046 29.700 0.095 0.000 0.955 70 E HN 0.526 nan 8.360 nan 0.000 0.455 71 E N 3.221 123.490 120.200 0.114 0.000 2.369 71 E HA 0.508 4.869 4.350 0.019 0.000 0.270 71 E C -0.985 175.734 176.600 0.198 0.000 0.909 71 E CA -0.797 55.634 56.400 0.053 0.000 0.775 71 E CB 1.436 31.135 29.700 -0.001 0.000 1.270 71 E HN 0.467 nan 8.360 nan 0.000 0.445 75 T N 3.037 117.646 114.554 0.091 0.000 2.758 75 T HA 0.479 4.841 4.350 0.019 0.000 0.285 75 T C -0.523 174.183 174.700 0.010 0.000 0.981 75 T CA -0.355 61.765 62.100 0.034 0.000 0.965 75 T CB 1.456 70.326 68.868 0.003 0.000 0.927 75 T HN 0.290 nan 8.240 nan 0.000 0.448 76 L N 6.902 128.123 121.223 -0.004 0.000 2.313 76 L HA 0.609 4.961 4.340 0.019 0.000 0.282 76 L C -0.204 176.609 176.870 -0.095 0.000 1.092 76 L CA -0.030 54.783 54.840 -0.046 0.000 0.831 76 L CB 0.026 42.060 42.059 -0.042 0.000 1.159 76 L HN 0.524 nan 8.230 nan 0.000 0.442 77 V N 2.288 122.130 119.914 -0.120 0.000 3.141 77 V HA 0.572 4.704 4.120 0.019 0.000 0.312 77 V C -0.536 175.441 176.094 -0.195 0.000 1.157 77 V CA -1.105 61.123 62.300 -0.121 0.000 1.041 77 V CB 1.265 33.072 31.823 -0.026 0.000 1.071 77 V HN 0.570 nan 8.190 nan 0.000 0.441 78 Y N 1.368 121.651 120.300 -0.030 0.000 2.379 78 Y HA 0.331 4.894 4.550 0.022 0.000 0.337 78 Y C -1.430 174.437 175.900 -0.054 0.000 1.238 78 Y CA -0.889 57.185 58.100 -0.044 0.000 1.405 78 Y CB 0.327 38.770 38.460 -0.029 0.000 1.310 78 Y HN 0.451 nan 8.280 nan 0.000 0.569 79 P HA -0.253 nan 4.420 nan 0.000 0.216 79 P C 1.110 178.423 177.300 0.021 0.000 1.150 79 P CA 2.367 65.474 63.100 0.012 0.000 0.843 79 P CB 0.140 31.834 31.700 -0.011 0.000 0.787 80 K N -1.075 119.351 120.400 0.043 0.000 2.365 80 K HA -0.083 4.249 4.320 0.019 0.000 0.199 80 K C 0.454 177.068 176.600 0.023 0.000 1.045 80 K CA 1.425 57.725 56.287 0.022 0.000 0.962 80 K CB -0.438 32.070 32.500 0.012 0.000 0.759 80 K HN 0.089 nan 8.250 nan 0.000 0.469 81 D N 2.171 122.596 120.400 0.042 0.000 2.340 81 D HA 0.022 4.674 4.640 0.019 0.000 0.217 81 D C 0.528 176.835 176.300 0.012 0.000 1.081 81 D CA 0.009 54.028 54.000 0.033 0.000 0.842 81 D CB 0.559 41.396 40.800 0.061 0.000 0.934 81 D HN 0.187 nan 8.370 nan 0.000 0.511 82 V N 0.223 120.137 119.914 0.001 0.000 2.963 82 V HA 0.214 4.346 4.120 0.019 0.000 0.306 82 V C 0.476 176.563 176.094 -0.011 0.000 1.077 82 V CA -0.709 61.584 62.300 -0.013 0.000 1.124 82 V CB 1.069 32.877 31.823 -0.025 0.000 0.987 82 V HN -0.029 nan 8.190 nan 0.000 0.487 83 D N 2.343 122.736 120.400 -0.012 0.000 2.529 83 D HA 0.363 5.014 4.640 0.019 0.000 0.273 83 D C 0.542 176.834 176.300 -0.013 0.000 1.197 83 D CA 0.120 54.114 54.000 -0.010 0.000 1.070 83 D CB 1.369 42.165 40.800 -0.006 0.000 1.134 83 D HN 0.805 nan 8.370 nan 0.000 0.590 84 T N -4.107 110.441 114.554 -0.010 0.000 3.288 84 T HA 0.251 4.613 4.350 0.019 0.000 0.293 84 T C 0.520 175.213 174.700 -0.011 0.000 1.008 84 T CA -0.104 61.988 62.100 -0.012 0.000 0.929 84 T CB -0.752 68.110 68.868 -0.010 0.000 1.152 84 T HN 0.402 nan 8.240 nan 0.000 0.517 85 S N -0.351 115.344 115.700 -0.008 0.000 2.937 85 S HA 0.582 5.063 4.470 0.019 0.000 0.252 85 S C 1.553 176.151 174.600 -0.004 0.000 1.022 85 S CA 0.028 58.225 58.200 -0.005 0.000 1.079 85 S CB 0.071 63.271 63.200 0.000 0.000 1.035 85 S HN 1.207 nan 8.310 nan 0.000 0.594 86 G N 1.849 110.643 108.800 -0.011 0.000 2.157 86 G HA2 -0.304 3.668 3.960 0.019 0.000 0.239 86 G HA3 -0.304 3.668 3.960 0.019 0.000 0.239 86 G C 0.589 175.492 174.900 0.004 0.000 0.982 86 G CA 0.568 45.658 45.100 -0.016 0.000 0.650 86 G HN 0.636 nan 8.290 nan 0.000 0.527 87 E N 0.354 120.563 120.200 0.016 0.000 2.307 87 E HA 0.233 4.594 4.350 0.019 0.000 0.195 87 E C 1.099 177.723 176.600 0.040 0.000 0.975 87 E CA 0.886 57.312 56.400 0.044 0.000 0.878 87 E CB 0.086 29.809 29.700 0.038 0.000 0.845 87 E HN 0.525 nan 8.360 nan 0.000 0.488 88 K N 0.201 120.607 120.400 0.011 0.000 2.208 88 K HA 0.543 4.874 4.320 0.019 0.000 0.247 88 K C -0.965 175.620 176.600 -0.024 0.000 0.953 88 K CA -0.885 55.402 56.287 -0.001 0.000 0.837 88 K CB 2.365 34.859 32.500 -0.009 0.000 1.131 88 K HN 0.077 nan 8.250 nan 0.000 0.431 89 I N 0.475 121.024 120.570 -0.035 0.000 2.607 89 I HA 0.151 4.333 4.170 0.019 0.000 0.290 89 I C -0.702 175.365 176.117 -0.083 0.000 1.129 89 I CA -0.403 60.855 61.300 -0.070 0.000 1.042 89 I CB 2.136 40.084 38.000 -0.088 0.000 1.242 89 I HN 0.619 nan 8.210 nan 0.000 0.421 90 S N 4.969 120.610 115.700 -0.098 0.000 2.576 90 S HA 0.139 4.621 4.470 0.019 0.000 0.276 90 S C 1.056 175.565 174.600 -0.152 0.000 1.339 90 S CA -0.259 57.869 58.200 -0.119 0.000 1.039 90 S CB 0.916 64.045 63.200 -0.118 0.000 0.902 90 S HN 0.641 nan 8.310 nan 0.000 0.516 91 I N 4.606 125.061 120.570 -0.191 0.000 2.530 91 I HA -0.072 4.110 4.170 0.019 0.000 0.257 91 I C 1.431 177.395 176.117 -0.255 0.000 1.179 91 I CA 1.508 62.686 61.300 -0.204 0.000 1.440 91 I CB -0.241 37.607 38.000 -0.253 0.000 1.087 91 I HN 0.759 nan 8.210 nan 0.000 0.440 92 L N 0.082 121.092 121.223 -0.354 0.000 2.558 92 L HA 0.240 4.592 4.340 0.019 0.000 0.225 92 L C 1.281 178.002 176.870 -0.249 0.000 1.128 92 L CA 0.042 54.511 54.840 -0.619 0.000 0.868 92 L CB -0.832 40.804 42.059 -0.704 0.000 1.006 92 L HN 0.192 nan 8.230 nan 0.000 0.454 93 A N 0.461 123.193 122.820 -0.146 0.000 2.322 93 A HA 0.484 4.815 4.320 0.019 0.000 0.269 93 A C -2.263 175.290 177.584 -0.052 0.000 1.094 93 A CA -1.323 50.664 52.037 -0.083 0.000 0.807 93 A CB -0.157 18.774 19.000 -0.115 0.000 1.047 93 A HN -0.089 nan 8.150 nan 0.000 0.487 94 P HA 0.214 nan 4.420 nan 0.000 0.264 94 P C 0.836 178.039 177.300 -0.161 0.000 1.183 94 P CA 0.942 64.005 63.100 -0.063 0.000 0.763 94 P CB 0.507 32.164 31.700 -0.070 0.000 0.807 95 V N 1.981 121.812 119.914 -0.137 0.000 0.508 95 V HA -0.350 3.782 4.120 0.019 0.000 0.092 95 V C 2.241 178.260 176.094 -0.125 0.000 2.282 95 V CA 2.451 64.628 62.300 -0.205 0.000 3.591 95 V CB -2.444 29.020 31.823 -0.599 0.000 0.878 95 V HN 0.741 nan 8.190 nan 0.000 0.919 96 G N 0.529 109.241 108.800 -0.147 0.000 2.574 96 G HA2 -0.385 3.587 3.960 0.019 0.000 0.220 96 G HA3 -0.385 3.587 3.960 0.019 0.000 0.220 96 G C 1.599 176.470 174.900 -0.048 0.000 1.173 96 G CA 3.008 48.053 45.100 -0.092 0.000 0.772 96 G HN 1.426 nan 8.290 nan 0.000 0.585 97 S N 0.913 116.597 115.700 -0.025 0.000 2.419 97 S HA 0.145 4.626 4.470 0.019 0.000 0.235 97 S C 2.426 177.053 174.600 0.044 0.000 1.019 97 S CA 1.562 59.779 58.200 0.029 0.000 0.982 97 S CB -0.330 62.951 63.200 0.135 0.000 0.789 97 S HN 0.743 nan 8.310 nan 0.000 0.490 98 A N 1.214 124.059 122.820 0.041 0.000 2.123 98 A HA 0.419 4.751 4.320 0.019 0.000 0.214 98 A C 2.134 179.760 177.584 0.069 0.000 1.152 98 A CA 0.308 52.381 52.037 0.060 0.000 0.728 98 A CB -0.528 18.515 19.000 0.072 0.000 0.814 98 A HN 0.516 nan 8.150 nan 0.000 0.464 99 L N -0.665 120.596 121.223 0.064 0.000 2.093 99 L HA -0.022 4.329 4.340 0.019 0.000 0.208 99 L C 0.997 177.901 176.870 0.056 0.000 1.085 99 L CA 0.043 54.940 54.840 0.094 0.000 0.755 99 L CB -0.622 41.502 42.059 0.109 0.000 0.904 99 L HN 0.392 nan 8.230 nan 0.000 0.435 100 L N 1.239 122.477 121.223 0.026 0.000 2.601 100 L HA 0.129 4.481 4.340 0.019 0.000 0.277 100 L C 1.124 178.007 176.870 0.022 0.000 1.219 100 L CA 1.341 56.187 54.840 0.010 0.000 0.915 100 L CB 0.262 42.318 42.059 -0.006 0.000 1.160 100 L HN 0.366 nan 8.230 nan 0.000 0.494 101 G N 3.373 112.183 108.800 0.018 0.000 2.225 101 G HA2 -0.261 3.710 3.960 0.019 0.000 0.254 101 G HA3 -0.261 3.710 3.960 0.019 0.000 0.254 101 G C 0.439 175.353 174.900 0.023 0.000 0.988 101 G CA 0.283 45.394 45.100 0.018 0.000 0.625 101 G HN 0.632 nan 8.290 nan 0.000 0.527 102 L N 0.620 121.863 121.223 0.033 0.000 2.474 102 L HA 0.533 4.885 4.340 0.019 0.000 0.259 102 L C 0.966 177.845 176.870 0.015 0.000 1.232 102 L CA 0.348 55.211 54.840 0.037 0.000 0.821 102 L CB 0.734 42.834 42.059 0.068 0.000 1.108 102 L HN 0.512 nan 8.230 nan 0.000 0.495 103 A N 0.811 123.637 122.820 0.009 0.000 2.469 103 A HA 0.371 4.702 4.320 0.019 0.000 0.299 103 A C -0.800 176.769 177.584 -0.023 0.000 1.098 103 A CA -0.596 51.435 52.037 -0.010 0.000 0.737 103 A CB 1.403 20.400 19.000 -0.005 0.000 1.312 103 A HN 0.674 nan 8.150 nan 0.000 0.414 104 Q N -0.085 119.690 119.800 -0.041 0.000 2.368 104 Q HA 0.277 4.628 4.340 0.019 0.000 0.331 104 Q C 1.226 177.207 176.000 -0.032 0.000 1.086 104 Q CA 2.086 57.856 55.803 -0.054 0.000 1.031 104 Q CB 0.062 28.769 28.738 -0.052 0.000 1.125 104 Q HN 2.118 nan 8.270 nan 0.000 0.389 105 G N 3.435 112.216 108.800 -0.032 0.000 2.234 105 G HA2 -0.203 3.769 3.960 0.019 0.000 0.235 105 G HA3 -0.203 3.769 3.960 0.019 0.000 0.235 105 G C -0.452 174.451 174.900 0.005 0.000 0.997 105 G CA 0.057 45.148 45.100 -0.014 0.000 0.623 105 G HN 0.703 nan 8.290 nan 0.000 0.514 106 D N 1.096 121.505 120.400 0.016 0.000 2.372 106 D HA 0.456 5.107 4.640 0.019 0.000 0.243 106 D C 0.477 176.819 176.300 0.069 0.000 1.121 106 D CA 0.179 54.204 54.000 0.042 0.000 0.898 106 D CB 1.226 42.058 40.800 0.053 0.000 1.202 106 D HN 0.572 nan 8.370 nan 0.000 0.428 107 E N 1.698 121.939 120.200 0.069 0.000 2.191 107 E HA 0.524 4.886 4.350 0.019 0.000 0.278 107 E C -0.619 176.044 176.600 0.105 0.000 0.972 107 E CA -0.640 55.806 56.400 0.076 0.000 0.804 107 E CB 0.770 30.496 29.700 0.044 0.000 1.110 107 E HN 0.501 nan 8.360 nan 0.000 0.394 108 I N -0.471 120.177 120.570 0.129 0.000 3.095 108 I HA 0.607 4.789 4.170 0.019 0.000 0.310 108 I C -1.088 175.078 176.117 0.081 0.000 1.196 108 I CA -1.006 60.388 61.300 0.157 0.000 0.985 108 I CB 2.386 40.550 38.000 0.273 0.000 1.250 108 I HN 0.455 nan 8.210 nan 0.000 0.446 109 E N 1.686 121.955 120.200 0.116 0.000 2.343 109 E HA 0.631 4.993 4.350 0.019 0.000 0.270 109 E C -2.060 174.667 176.600 0.211 0.000 0.895 109 E CA -0.597 55.810 56.400 0.012 0.000 0.767 109 E CB 2.686 32.394 29.700 0.013 0.000 1.248 109 E HN 0.676 nan 8.360 nan 0.000 0.440 110 W N 0.434 121.725 121.300 -0.015 0.000 3.005 110 W HA 0.574 5.237 4.660 0.005 0.000 0.343 110 W C -3.186 173.314 176.519 -0.031 0.000 1.243 110 W CA -2.117 55.213 57.345 -0.026 0.000 1.186 110 W CB -0.663 28.770 29.460 -0.045 0.000 1.453 110 W HN 0.206 nan 8.180 nan 0.000 0.575 111 P HA 0.170 nan 4.420 nan 0.000 0.271 111 P C -0.681 176.677 177.300 0.098 0.000 1.218 111 P CA -0.146 63.027 63.100 0.122 0.000 0.780 111 P CB 0.745 32.510 31.700 0.109 0.000 0.901 112 K N 3.674 124.078 120.400 0.007 0.000 2.205 112 K HA 0.312 4.643 4.320 0.019 0.000 0.279 112 K C -2.216 174.391 176.600 0.012 0.000 1.027 112 K CA -1.655 54.625 56.287 -0.012 0.000 0.932 112 K CB -0.076 32.398 32.500 -0.044 0.000 1.032 112 K HN 0.342 nan 8.250 nan 0.000 0.466 113 P HA -0.040 nan 4.420 nan 0.000 0.264 113 P C 0.544 177.843 177.300 -0.002 0.000 1.193 113 P CA 0.749 63.853 63.100 0.007 0.000 0.763 113 P CB 0.549 32.249 31.700 0.001 0.000 0.810 114 G N 1.729 110.529 108.800 0.000 0.000 2.194 114 G HA2 0.123 4.095 3.960 0.019 0.000 0.236 114 G HA3 0.123 4.095 3.960 0.019 0.000 0.236 114 G C 0.378 175.276 174.900 -0.003 0.000 0.987 114 G CA 0.060 45.159 45.100 -0.003 0.000 0.635 114 G HN 1.099 nan 8.290 nan 0.000 0.520 115 G N -1.603 107.197 108.800 -0.002 0.000 2.525 115 G HA2 0.596 4.568 3.960 0.019 0.000 0.685 115 G HA3 0.596 4.568 3.960 0.019 0.000 0.685 115 G C 0.857 175.751 174.900 -0.009 0.000 1.285 115 G CA 1.066 46.164 45.100 -0.002 0.000 0.849 115 G HN 2.618 nan 8.290 nan 0.000 0.653 116 G N -1.913 106.882 108.800 -0.009 0.000 2.655 116 G HA2 0.410 4.382 3.960 0.019 0.000 0.680 116 G HA3 0.410 4.382 3.960 0.019 0.000 0.680 116 G C -0.633 174.250 174.900 -0.027 0.000 1.302 116 G CA 0.252 45.340 45.100 -0.019 0.000 0.872 116 G HN 1.996 nan 8.290 nan 0.000 0.540 117 V N 0.455 120.342 119.914 -0.045 0.000 2.531 117 V HA 0.618 4.749 4.120 0.019 0.000 0.301 117 V C 0.204 176.220 176.094 -0.130 0.000 1.034 117 V CA -0.650 61.609 62.300 -0.068 0.000 0.865 117 V CB 1.518 33.316 31.823 -0.042 0.000 0.995 117 V HN 1.089 nan 8.190 nan 0.000 0.424 118 L N 6.462 127.542 121.223 -0.238 0.000 2.281 118 L HA 0.509 4.861 4.340 0.019 0.000 0.285 118 L C 0.231 176.884 176.870 -0.362 0.000 1.074 118 L CA 0.377 55.001 54.840 -0.360 0.000 0.817 118 L CB 0.462 42.130 42.059 -0.651 0.000 1.168 118 L HN 0.581 nan 8.230 nan 0.000 0.434 119 R N 5.162 125.523 120.500 -0.232 0.000 2.295 119 R HA 0.693 5.044 4.340 0.019 0.000 0.324 119 R C -1.073 175.139 176.300 -0.146 0.000 0.968 119 R CA -0.681 55.321 56.100 -0.162 0.000 0.837 119 R CB 1.541 31.789 30.300 -0.086 0.000 1.133 119 R HN 0.601 nan 8.270 nan 0.000 0.450 120 V N -0.362 119.475 119.914 -0.129 0.000 3.078 120 V HA 0.667 4.799 4.120 0.019 0.000 0.311 120 V C -0.493 175.637 176.094 0.060 0.000 1.138 120 V CA -1.266 61.009 62.300 -0.041 0.000 1.007 120 V CB 2.508 34.295 31.823 -0.060 0.000 1.045 120 V HN 0.689 nan 8.190 nan 0.000 0.432 121 R N 1.491 122.038 120.500 0.079 0.000 2.740 121 R HA 0.673 5.024 4.340 0.019 0.000 0.282 121 R C -1.009 175.328 176.300 0.062 0.000 0.969 121 R CA -0.920 55.227 56.100 0.079 0.000 0.918 121 R CB 2.494 32.807 30.300 0.022 0.000 1.175 121 R HN 0.768 nan 8.270 nan 0.000 0.464 122 I N 2.950 123.527 120.570 0.011 0.000 2.533 122 I HA -0.054 4.127 4.170 0.019 0.000 0.284 122 I C 1.602 177.623 176.117 -0.160 0.000 1.109 122 I CA 0.064 61.243 61.300 -0.200 0.000 1.412 122 I CB 1.071 38.949 38.000 -0.203 0.000 1.396 122 I HN 0.540 nan 8.210 nan 0.000 0.543 123 V N 1.599 121.389 119.914 -0.208 0.000 3.523 123 V HA 0.352 4.484 4.120 0.019 0.000 0.255 123 V C 0.477 176.494 176.094 -0.129 0.000 1.226 123 V CA 0.409 62.629 62.300 -0.133 0.000 1.092 123 V CB 0.031 31.790 31.823 -0.106 0.000 0.817 123 V HN 0.847 nan 8.190 nan 0.000 0.458 124 E N -0.627 119.468 120.200 -0.174 0.000 2.375 124 E HA 0.615 4.976 4.350 0.019 0.000 0.280 124 E C -2.148 174.361 176.600 -0.151 0.000 0.972 124 E CA -0.534 55.788 56.400 -0.130 0.000 0.782 124 E CB 2.998 32.640 29.700 -0.096 0.000 1.229 124 E HN 0.062 nan 8.360 nan 0.000 0.439 125 V N 2.176 122.032 119.914 -0.096 0.000 2.588 125 V HA 0.613 4.745 4.120 0.019 0.000 0.304 125 V C -0.397 175.682 176.094 -0.024 0.000 1.042 125 V CA -0.497 61.759 62.300 -0.074 0.000 0.877 125 V CB 1.727 33.517 31.823 -0.055 0.000 0.996 125 V HN 0.823 nan 8.190 nan 0.000 0.425 126 T N 1.291 115.842 114.554 -0.004 0.000 2.909 126 T HA 0.672 5.034 4.350 0.019 0.000 0.299 126 T C -0.917 173.831 174.700 0.080 0.000 1.073 126 T CA -0.585 61.533 62.100 0.031 0.000 0.999 126 T CB 1.813 70.682 68.868 0.002 0.000 1.098 126 T HN 0.512 nan 8.240 nan 0.000 0.477 127 Y N 0.000 120.290 120.300 -0.017 0.000 2.660 127 Y HA 0.000 4.561 4.550 0.018 0.000 0.201 127 Y CA 0.000 58.095 58.100 -0.009 0.000 1.940 127 Y CB 0.000 38.457 38.460 -0.005 0.000 1.050 127 Y HN 0.000 nan 8.280 nan 0.000 0.758