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 2prb_1_A DATA FIRST_RESID 12 DATA SEQUENCE SVTLRLMTEH DLAMLYEWLN RSHIVEWWGX XXARPTLADV QEQYLPSVLA DATA SEQUENCE QESVTPYIAM LNGEPIGYAQ SYVALGSGDG WWEEETDPGV RGIDQLLANA DATA SEQUENCE SQLGKGLGTK LVRALVELLF NDPEVTKIQT DPSPSNLRAI RCYEKAGFER DATA SEQUENCE QGTVTTPDGP AVYMVQTRQA FERTRS 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 12 S HA 0.000 nan 4.470 nan 0.000 0.327 12 S C 0.000 174.603 174.600 0.006 0.000 1.055 12 S CA 0.000 58.203 58.200 0.004 0.000 1.107 12 S CB 0.000 63.204 63.200 0.007 0.000 0.593 13 V N 3.048 122.965 119.914 0.005 0.000 2.407 13 V HA 0.765 4.885 4.120 -0.000 0.000 0.278 13 V C 0.777 176.875 176.094 0.006 0.000 1.037 13 V CA 0.206 62.508 62.300 0.004 0.000 0.900 13 V CB 1.116 32.938 31.823 -0.002 0.000 0.983 13 V HN 1.169 nan 8.190 nan 0.000 0.459 14 T N 3.237 117.798 114.554 0.011 0.000 2.940 14 T HA 0.851 5.201 4.350 -0.000 0.000 0.288 14 T C -0.781 173.927 174.700 0.013 0.000 1.045 14 T CA -0.857 61.249 62.100 0.010 0.000 1.018 14 T CB 1.747 70.627 68.868 0.020 0.000 1.151 14 T HN 0.302 nan 8.240 nan 0.000 0.529 15 L N 1.279 122.504 121.223 0.002 0.000 2.365 15 L HA 0.708 5.048 4.340 -0.000 0.000 0.273 15 L C 0.090 177.007 176.870 0.077 0.000 1.000 15 L CA -1.122 53.727 54.840 0.015 0.000 0.819 15 L CB 2.055 44.043 42.059 -0.118 0.000 1.284 15 L HN 0.844 nan 8.230 nan 0.000 0.418 16 R N 2.620 123.205 120.500 0.142 0.000 2.854 16 R HA 0.727 5.067 4.340 -0.000 0.000 0.271 16 R C -1.171 175.263 176.300 0.225 0.000 0.996 16 R CA -0.991 55.204 56.100 0.158 0.000 0.961 16 R CB 1.344 31.711 30.300 0.113 0.000 1.182 16 R HN 0.399 nan 8.270 nan 0.000 0.479 17 L N 2.375 123.702 121.223 0.174 0.000 2.490 17 L HA 0.120 4.460 4.340 -0.000 0.000 0.274 17 L C 0.789 177.707 176.870 0.080 0.000 1.201 17 L CA 0.089 54.983 54.840 0.090 0.000 0.869 17 L CB 0.439 42.522 42.059 0.040 0.000 1.123 17 L HN 0.594 nan 8.230 nan 0.000 0.484 18 M N 3.048 122.680 119.600 0.052 0.000 2.233 18 M HA 0.190 4.670 4.480 -0.000 0.000 0.350 18 M C 0.272 176.609 176.300 0.062 0.000 1.176 18 M CA -0.037 55.318 55.300 0.091 0.000 1.150 18 M CB 0.981 33.677 32.600 0.159 0.000 1.530 18 M HN 0.790 nan 8.290 nan 0.000 0.459 19 T N -0.493 114.104 114.554 0.070 0.000 2.927 19 T HA 0.289 4.638 4.350 -0.000 0.000 0.286 19 T C 0.645 175.348 174.700 0.006 0.000 1.040 19 T CA -0.786 61.350 62.100 0.059 0.000 1.010 19 T CB 1.398 70.352 68.868 0.143 0.000 1.177 19 T HN 0.839 nan 8.240 nan 0.000 0.546 20 E N -0.412 119.738 120.200 -0.083 0.000 2.160 20 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 20 E C 1.373 177.847 176.600 -0.211 0.000 0.991 20 E CA 1.455 57.748 56.400 -0.178 0.000 0.810 20 E CB -0.296 29.241 29.700 -0.272 0.000 0.742 20 E HN 0.821 nan 8.360 nan 0.000 0.466 21 H N -0.208 118.847 119.070 -0.024 0.000 2.545 21 H HA -0.028 4.528 4.556 -0.000 0.000 0.282 21 H C 1.018 176.309 175.328 -0.061 0.000 1.020 21 H CA 1.139 57.165 56.048 -0.036 0.000 1.243 21 H CB 0.240 29.988 29.762 -0.024 0.000 1.377 21 H HN 0.178 nan 8.280 nan 0.000 0.581 22 D N -0.148 120.261 120.400 0.015 0.000 2.350 22 D HA 0.004 4.644 4.640 -0.000 0.000 0.213 22 D C 1.849 178.048 176.300 -0.169 0.000 1.031 22 D CA 0.128 54.080 54.000 -0.080 0.000 0.861 22 D CB 0.336 41.103 40.800 -0.055 0.000 0.926 22 D HN 0.378 nan 8.370 nan 0.000 0.520 23 L N 0.987 122.138 121.223 -0.120 0.000 2.046 23 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 23 L C 2.574 179.360 176.870 -0.140 0.000 1.077 23 L CA 1.182 55.941 54.840 -0.135 0.000 0.747 23 L CB -0.370 41.638 42.059 -0.086 0.000 0.896 23 L HN -0.014 nan 8.230 nan 0.000 0.432 24 A N -0.347 122.409 122.820 -0.107 0.000 1.902 24 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 24 A C 2.341 179.865 177.584 -0.101 0.000 1.181 24 A CA 1.907 53.917 52.037 -0.044 0.000 0.623 24 A CB -0.515 18.465 19.000 -0.033 0.000 0.818 24 A HN 0.441 nan 8.150 nan 0.000 0.443 25 M N -0.962 118.477 119.600 -0.270 0.000 2.086 25 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 25 M C 2.048 177.804 176.300 -0.907 0.000 1.067 25 M CA 2.031 57.003 55.300 -0.547 0.000 1.116 25 M CB -0.199 32.039 32.600 -0.603 0.000 1.348 25 M HN 0.379 nan 8.290 nan 0.000 0.407 26 L N 0.130 120.894 121.223 -0.765 0.000 2.083 26 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 26 L C 2.291 178.908 176.870 -0.423 0.000 1.083 26 L CA 1.906 56.327 54.840 -0.699 0.000 0.752 26 L CB -1.226 40.472 42.059 -0.601 0.000 0.899 26 L HN 0.534 nan 8.230 nan 0.000 0.433 27 Y N 0.634 120.701 120.300 -0.388 0.000 2.128 27 Y HA -0.301 4.249 4.550 0.000 0.000 0.284 27 Y C 2.536 178.331 175.900 -0.174 0.000 1.154 27 Y CA 2.322 60.273 58.100 -0.248 0.000 1.149 27 Y CB -0.560 37.793 38.460 -0.177 0.000 0.976 27 Y HN 0.487 nan 8.280 nan 0.000 0.505 28 E N -0.633 119.276 120.200 -0.486 0.000 2.058 28 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 28 E C 1.942 178.449 176.600 -0.155 0.000 0.997 28 E CA 1.676 57.821 56.400 -0.425 0.000 0.801 28 E CB -0.485 29.089 29.700 -0.211 0.000 0.746 28 E HN 0.596 nan 8.360 nan 0.000 0.450 29 W N 0.801 121.938 121.300 -0.271 0.000 2.338 29 W HA -0.121 4.541 4.660 0.003 0.000 0.304 29 W C 2.172 178.493 176.519 -0.330 0.000 1.212 29 W CA 0.570 57.759 57.345 -0.260 0.000 1.264 29 W CB -1.007 28.300 29.460 -0.254 0.000 1.142 29 W HN 0.161 nan 8.180 nan 0.000 0.512 30 L N 0.238 121.378 121.223 -0.138 0.000 2.549 30 L HA -0.139 4.201 4.340 -0.000 0.000 0.229 30 L C 0.771 177.558 176.870 -0.139 0.000 1.158 30 L CA 0.946 55.661 54.840 -0.210 0.000 0.842 30 L CB -0.730 41.176 42.059 -0.255 0.000 0.952 30 L HN -0.006 nan 8.230 nan 0.000 0.452 31 N N -0.853 117.742 118.700 -0.173 0.000 2.203 31 N HA 0.107 4.847 4.740 -0.000 0.000 0.207 31 N C -0.096 175.347 175.510 -0.111 0.000 1.130 31 N CA -0.194 52.769 53.050 -0.145 0.000 0.861 31 N CB 0.477 38.829 38.487 -0.226 0.000 1.005 31 N HN 0.121 nan 8.380 nan 0.000 0.507 32 R N 0.527 120.956 120.500 -0.119 0.000 2.438 32 R HA 0.108 4.448 4.340 -0.000 0.000 0.287 32 R C 1.290 177.525 176.300 -0.108 0.000 1.077 32 R CA -0.033 56.014 56.100 -0.087 0.000 1.034 32 R CB 0.839 31.094 30.300 -0.075 0.000 0.993 32 R HN 0.222 nan 8.270 nan 0.000 0.459 33 S N 2.229 117.922 115.700 -0.011 0.000 2.387 33 S HA -0.276 4.194 4.470 -0.000 0.000 0.230 33 S C 1.823 176.428 174.600 0.009 0.000 1.035 33 S CA 1.854 60.053 58.200 -0.001 0.000 1.014 33 S CB -0.554 62.663 63.200 0.027 0.000 0.836 33 S HN 0.911 nan 8.310 nan 0.000 0.466 34 H N 0.546 119.623 119.070 0.012 0.000 2.491 34 H HA 0.202 4.758 4.556 -0.000 0.000 0.290 34 H C 1.749 177.150 175.328 0.123 0.000 1.050 34 H CA 1.109 57.193 56.048 0.060 0.000 1.309 34 H CB -0.196 29.597 29.762 0.052 0.000 1.392 34 H HN 0.347 nan 8.280 nan 0.000 0.554 35 I N 0.693 121.003 120.570 -0.434 0.000 2.429 35 I HA -0.105 4.065 4.170 -0.000 0.000 0.247 35 I C 2.300 178.437 176.117 0.034 0.000 1.099 35 I CA 0.474 61.651 61.300 -0.204 0.000 1.422 35 I CB -0.753 37.024 38.000 -0.371 0.000 1.112 35 I HN 0.270 nan 8.210 nan 0.000 0.430 36 V N 2.325 122.221 119.914 -0.029 0.000 2.380 36 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 36 V C 2.512 178.605 176.094 -0.002 0.000 1.063 36 V CA 2.229 64.541 62.300 0.020 0.000 1.055 36 V CB -1.005 30.807 31.823 -0.018 0.000 0.657 36 V HN 0.585 nan 8.190 nan 0.000 0.455 37 E N -1.550 118.587 120.200 -0.104 0.000 2.338 37 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 37 E C 1.805 178.113 176.600 -0.487 0.000 1.007 37 E CA 1.548 57.740 56.400 -0.347 0.000 0.849 37 E CB -0.259 29.138 29.700 -0.504 0.000 0.774 37 E HN 0.776 nan 8.360 nan 0.000 0.506 38 W N -0.413 120.966 121.300 0.131 0.000 3.097 38 W HA 0.276 4.939 4.660 0.005 0.000 0.245 38 W C 0.495 177.138 176.519 0.207 0.000 1.120 38 W CA -1.082 56.356 57.345 0.154 0.000 1.468 38 W CB 0.111 29.667 29.460 0.160 0.000 0.851 38 W HN -0.023 nan 8.180 nan 0.000 0.692 39 W N 3.714 125.166 121.300 0.253 0.000 2.368 39 W HA 0.354 5.012 4.660 -0.003 0.000 0.316 39 W C 0.493 177.119 176.519 0.177 0.000 1.375 39 W CA 0.431 57.900 57.345 0.206 0.000 1.261 39 W CB 0.374 29.925 29.460 0.151 0.000 1.298 39 W HN -0.134 nan 8.180 nan 0.000 0.539 45 R N 1.589 122.139 120.500 0.084 0.000 2.585 45 R HA 0.378 4.718 4.340 -0.000 0.000 0.278 45 R C -2.913 173.447 176.300 0.101 0.000 1.663 45 R CA -1.439 54.704 56.100 0.071 0.000 1.592 45 R CB 1.425 31.752 30.300 0.044 0.000 1.200 45 R HN 0.348 nan 8.270 nan 0.000 0.611 46 P HA 0.005 nan 4.420 nan 0.000 0.271 46 P C 0.229 177.661 177.300 0.219 0.000 1.216 46 P CA -0.065 63.134 63.100 0.164 0.000 0.771 46 P CB 1.009 32.828 31.700 0.199 0.000 0.864 47 T N 0.145 114.788 114.554 0.148 0.000 2.766 47 T HA 0.024 4.374 4.350 -0.000 0.000 0.295 47 T C 1.290 175.938 174.700 -0.086 0.000 1.024 47 T CA -0.643 61.517 62.100 0.099 0.000 1.018 47 T CB 0.278 69.153 68.868 0.011 0.000 1.002 47 T HN 0.211 nan 8.240 nan 0.000 0.532 48 L N 1.456 122.346 121.223 -0.554 0.000 2.012 48 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 48 L C 2.781 179.457 176.870 -0.323 0.000 1.073 48 L CA 2.421 56.750 54.840 -0.852 0.000 0.748 48 L CB -1.603 39.867 42.059 -0.982 0.000 0.891 48 L HN 0.926 nan 8.230 nan 0.000 0.431 49 A N -0.833 121.867 122.820 -0.202 0.000 1.908 49 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 49 A C 1.996 179.555 177.584 -0.043 0.000 1.181 49 A CA 1.890 53.865 52.037 -0.102 0.000 0.627 49 A CB -0.882 18.074 19.000 -0.073 0.000 0.818 49 A HN 0.553 nan 8.150 nan 0.000 0.445 50 D N -0.195 120.198 120.400 -0.012 0.000 2.104 50 D HA -0.125 4.514 4.640 -0.000 0.000 0.194 50 D C 2.103 178.471 176.300 0.112 0.000 0.994 50 D CA 1.642 55.674 54.000 0.053 0.000 0.830 50 D CB -0.533 40.321 40.800 0.089 0.000 0.959 50 D HN 0.230 nan 8.370 nan 0.000 0.452 51 V N 0.802 120.785 119.914 0.115 0.000 2.295 51 V HA -0.250 3.869 4.120 -0.000 0.000 0.246 51 V C 2.487 178.669 176.094 0.147 0.000 1.049 51 V CA 1.625 64.040 62.300 0.192 0.000 1.024 51 V CB -0.583 31.269 31.823 0.048 0.000 0.648 51 V HN 0.197 nan 8.190 nan 0.000 0.447 52 Q N -0.319 119.493 119.800 0.020 0.000 2.124 52 Q HA -0.245 4.094 4.340 -0.000 0.000 0.202 52 Q C 2.242 178.250 176.000 0.013 0.000 0.977 52 Q CA 1.877 57.676 55.803 -0.006 0.000 0.850 52 Q CB -0.140 28.562 28.738 -0.060 0.000 0.901 52 Q HN 0.705 nan 8.270 nan 0.000 0.429 53 E N -0.047 120.162 120.200 0.016 0.000 2.170 53 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 53 E C 1.752 178.349 176.600 -0.005 0.000 0.981 53 E CA 0.664 57.065 56.400 0.001 0.000 0.830 53 E CB 0.242 29.939 29.700 -0.006 0.000 0.775 53 E HN 0.344 nan 8.360 nan 0.000 0.470 54 Q N -1.096 118.712 119.800 0.013 0.000 2.396 54 Q HA 0.053 4.393 4.340 -0.000 0.000 0.220 54 Q C 0.697 176.567 176.000 -0.216 0.000 0.900 54 Q CA 0.482 56.219 55.803 -0.110 0.000 0.925 54 Q CB 0.491 29.136 28.738 -0.154 0.000 1.065 54 Q HN 0.304 nan 8.270 nan 0.000 0.535 55 Y N -0.252 120.052 120.300 0.007 0.000 2.467 55 Y HA 0.182 4.732 4.550 -0.001 0.000 0.250 55 Y C 0.188 176.095 175.900 0.010 0.000 1.155 55 Y CA -0.757 57.355 58.100 0.019 0.000 1.249 55 Y CB 0.698 39.141 38.460 -0.027 0.000 1.146 55 Y HN 0.061 nan 8.280 nan 0.000 0.524 56 L N 3.169 124.450 121.223 0.097 0.000 2.601 56 L HA 0.035 4.375 4.340 -0.000 0.000 0.277 56 L C -1.681 175.210 176.870 0.035 0.000 1.219 56 L CA -1.191 53.673 54.840 0.041 0.000 0.915 56 L CB 0.713 42.774 42.059 0.003 0.000 1.160 56 L HN -0.075 nan 8.230 nan 0.000 0.494 57 P HA -0.205 nan 4.420 nan 0.000 0.217 57 P C 1.495 178.794 177.300 -0.001 0.000 1.151 57 P CA 1.942 65.053 63.100 0.018 0.000 0.849 57 P CB 0.068 31.772 31.700 0.006 0.000 0.787 58 S N -1.726 113.970 115.700 -0.007 0.000 2.423 58 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 58 S C 1.942 176.534 174.600 -0.013 0.000 1.014 58 S CA 1.134 59.327 58.200 -0.011 0.000 0.965 58 S CB -1.572 61.620 63.200 -0.013 0.000 0.785 58 S HN -0.031 nan 8.310 nan 0.000 0.495 59 V N 1.956 121.861 119.914 -0.015 0.000 2.346 59 V HA 0.004 4.124 4.120 -0.000 0.000 0.244 59 V C 2.499 178.572 176.094 -0.035 0.000 1.037 59 V CA 1.395 63.680 62.300 -0.026 0.000 1.029 59 V CB -0.775 31.029 31.823 -0.031 0.000 0.663 59 V HN 0.435 nan 8.190 nan 0.000 0.454 60 L N 0.344 121.550 121.223 -0.030 0.000 2.131 60 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 60 L C 2.709 179.566 176.870 -0.022 0.000 1.092 60 L CA 1.424 56.245 54.840 -0.033 0.000 0.759 60 L CB -0.774 41.287 42.059 0.003 0.000 0.903 60 L HN 0.373 nan 8.230 nan 0.000 0.435 61 A N -0.477 122.334 122.820 -0.015 0.000 1.978 61 A HA -0.232 4.087 4.320 -0.000 0.000 0.220 61 A C 2.196 179.776 177.584 -0.007 0.000 1.170 61 A CA 1.374 53.405 52.037 -0.010 0.000 0.636 61 A CB -0.323 18.671 19.000 -0.010 0.000 0.810 61 A HN 0.446 nan 8.150 nan 0.000 0.448 62 Q N -0.167 119.625 119.800 -0.013 0.000 2.291 62 Q HA -0.089 4.251 4.340 -0.000 0.000 0.205 62 Q C 0.596 176.590 176.000 -0.011 0.000 0.970 62 Q CA 0.915 56.711 55.803 -0.011 0.000 0.876 62 Q CB -0.152 28.576 28.738 -0.016 0.000 0.935 62 Q HN 0.657 nan 8.270 nan 0.000 0.455 63 E N 0.110 120.297 120.200 -0.021 0.000 2.496 63 E HA 0.151 4.501 4.350 -0.000 0.000 0.200 63 E C -0.262 176.339 176.600 0.001 0.000 1.016 63 E CA -0.359 56.025 56.400 -0.026 0.000 0.962 63 E CB 0.514 30.168 29.700 -0.077 0.000 1.071 63 E HN 0.057 nan 8.360 nan 0.000 0.457 64 S N -0.286 115.426 115.700 0.019 0.000 3.641 64 S HA -0.132 4.338 4.470 -0.000 0.000 0.346 64 S C 0.133 174.776 174.600 0.073 0.000 1.074 64 S CA 0.522 58.750 58.200 0.047 0.000 1.026 64 S CB -1.374 61.869 63.200 0.071 0.000 0.908 64 S HN 0.120 nan 8.310 nan 0.000 0.479 65 V N 1.406 121.345 119.914 0.042 0.000 2.435 65 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 65 V C 0.516 176.615 176.094 0.008 0.000 1.030 65 V CA -0.393 61.944 62.300 0.061 0.000 0.881 65 V CB 2.089 33.932 31.823 0.033 0.000 0.983 65 V HN 0.367 nan 8.190 nan 0.000 0.445 66 T N 7.547 122.083 114.554 -0.030 0.000 2.772 66 T HA 0.447 4.797 4.350 -0.000 0.000 0.288 66 T C -2.719 171.735 174.700 -0.411 0.000 0.994 66 T CA -1.162 60.806 62.100 -0.220 0.000 0.951 66 T CB 1.787 70.489 68.868 -0.276 0.000 0.933 66 T HN 0.477 nan 8.240 nan 0.000 0.447 67 P HA 0.459 nan 4.420 nan 0.000 0.288 67 P C -1.507 175.501 177.300 -0.487 0.000 1.267 67 P CA -0.595 62.355 63.100 -0.249 0.000 0.815 67 P CB 0.742 32.552 31.700 0.183 0.000 0.989 68 Y N 1.210 121.436 120.300 -0.122 0.000 2.536 68 Y HA 0.486 5.037 4.550 0.001 0.000 0.347 68 Y C 0.370 176.277 175.900 0.012 0.000 1.000 68 Y CA -1.241 56.833 58.100 -0.042 0.000 1.051 68 Y CB 1.614 40.038 38.460 -0.060 0.000 1.259 68 Y HN 0.127 nan 8.280 nan 0.000 0.468 69 I N 2.215 122.942 120.570 0.262 0.000 2.354 69 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 69 I C 0.073 176.313 176.117 0.203 0.000 0.989 69 I CA -0.974 60.489 61.300 0.271 0.000 1.188 69 I CB 1.042 39.193 38.000 0.251 0.000 1.342 69 I HN 0.758 nan 8.210 nan 0.000 0.457 70 A N 8.370 131.297 122.820 0.179 0.000 2.366 70 A HA 0.714 5.034 4.320 -0.000 0.000 0.272 70 A C -0.101 177.543 177.584 0.099 0.000 1.135 70 A CA -0.378 51.717 52.037 0.097 0.000 0.804 70 A CB 0.472 19.500 19.000 0.047 0.000 1.064 70 A HN 0.630 nan 8.150 nan 0.000 0.499 71 M N 2.322 121.964 119.600 0.070 0.000 2.383 71 M HA 0.541 5.021 4.480 -0.000 0.000 0.325 71 M C -1.278 175.044 176.300 0.037 0.000 1.092 71 M CA -0.680 54.659 55.300 0.065 0.000 0.961 71 M CB 1.205 33.845 32.600 0.067 0.000 1.672 71 M HN 0.599 nan 8.290 nan 0.000 0.438 72 L N 4.681 125.924 121.223 0.032 0.000 2.476 72 L HA 0.475 4.815 4.340 -0.000 0.000 0.269 72 L C -0.394 176.488 176.870 0.019 0.000 0.965 72 L CA 0.365 55.215 54.840 0.017 0.000 0.845 72 L CB 1.126 43.187 42.059 0.003 0.000 1.259 72 L HN 0.797 nan 8.230 nan 0.000 0.403 73 N N 4.275 122.985 118.700 0.017 0.000 2.716 73 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 73 N C 0.955 176.478 175.510 0.022 0.000 1.033 73 N CA 1.392 54.451 53.050 0.016 0.000 0.727 73 N CB -1.086 37.407 38.487 0.011 0.000 0.950 73 N HN 1.319 nan 8.380 nan 0.000 0.541 74 G N -1.372 107.445 108.800 0.028 0.000 2.162 74 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 74 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 74 G C -0.312 174.615 174.900 0.045 0.000 0.976 74 G CA 0.614 45.734 45.100 0.033 0.000 0.655 74 G HN 0.470 nan 8.290 nan 0.000 0.533 75 E N 0.767 120.997 120.200 0.051 0.000 2.222 75 E HA 0.411 4.761 4.350 -0.000 0.000 0.267 75 E C -2.669 173.990 176.600 0.098 0.000 0.884 75 E CA -2.001 54.441 56.400 0.070 0.000 0.764 75 E CB 2.514 32.247 29.700 0.055 0.000 1.169 75 E HN 0.149 nan 8.360 nan 0.000 0.413 76 P HA 0.136 nan 4.420 nan 0.000 0.271 76 P C 0.519 177.937 177.300 0.195 0.000 1.233 76 P CA 0.138 63.390 63.100 0.253 0.000 0.764 76 P CB 0.313 32.247 31.700 0.390 0.000 0.825 77 I N 0.472 121.074 120.570 0.054 0.000 4.227 77 I HA 0.560 4.730 4.170 -0.000 0.000 0.334 77 I C 0.545 176.456 176.117 -0.344 0.000 1.341 77 I CA -0.235 60.979 61.300 -0.143 0.000 1.123 77 I CB 0.722 38.672 38.000 -0.082 0.000 1.097 77 I HN 0.345 nan 8.210 nan 0.000 0.399 78 G N 0.228 108.873 108.800 -0.258 0.000 2.506 78 G HA2 0.409 4.369 3.960 -0.000 0.000 0.292 78 G HA3 0.409 4.369 3.960 -0.000 0.000 0.292 78 G C -2.561 172.463 174.900 0.207 0.000 1.425 78 G CA -0.572 44.384 45.100 -0.239 0.000 0.788 78 G HN 0.067 nan 8.290 nan 0.000 0.490 79 Y N 0.230 120.579 120.300 0.082 0.000 2.462 79 Y HA 0.797 5.346 4.550 -0.000 0.000 0.346 79 Y C -0.190 175.803 175.900 0.155 0.000 0.976 79 Y CA -0.306 57.908 58.100 0.190 0.000 1.044 79 Y CB 2.034 40.582 38.460 0.146 0.000 1.230 79 Y HN 1.128 nan 8.280 nan 0.000 0.455 80 A N 4.699 127.224 122.820 -0.491 0.000 2.556 80 A HA 0.765 5.085 4.320 -0.000 0.000 0.294 80 A C -1.753 175.646 177.584 -0.308 0.000 1.091 80 A CA -0.889 51.009 52.037 -0.232 0.000 0.704 80 A CB 2.014 21.018 19.000 0.007 0.000 1.300 80 A HN 0.761 nan 8.150 nan 0.000 0.406 81 Q N 0.285 120.123 119.800 0.065 0.000 2.347 81 Q HA 0.613 4.953 4.340 -0.000 0.000 0.271 81 Q C -0.796 175.368 176.000 0.273 0.000 1.064 81 Q CA -0.657 55.253 55.803 0.179 0.000 0.800 81 Q CB 2.463 31.373 28.738 0.286 0.000 1.304 81 Q HN 0.934 nan 8.270 nan 0.000 0.438 82 S N 1.065 116.949 115.700 0.307 0.000 2.568 82 S HA 0.828 5.298 4.470 -0.000 0.000 0.302 82 S C -1.150 173.541 174.600 0.152 0.000 1.082 82 S CA -0.570 57.725 58.200 0.158 0.000 1.009 82 S CB 1.001 64.303 63.200 0.170 0.000 1.069 82 S HN 0.596 nan 8.310 nan 0.000 0.500 83 Y N -1.295 119.004 120.300 -0.001 0.000 2.571 83 Y HA 0.729 5.279 4.550 -0.000 0.000 0.341 83 Y C -1.406 174.475 175.900 -0.033 0.000 1.076 83 Y CA -1.643 56.446 58.100 -0.017 0.000 1.029 83 Y CB 0.688 39.134 38.460 -0.022 0.000 1.308 83 Y HN 0.452 nan 8.280 nan 0.000 0.461 84 V N 3.612 123.612 119.914 0.142 0.000 2.389 84 V HA 0.343 4.463 4.120 -0.000 0.000 0.264 84 V C 1.195 177.419 176.094 0.217 0.000 1.049 84 V CA 0.433 62.781 62.300 0.080 0.000 0.932 84 V CB 0.091 31.952 31.823 0.063 0.000 1.011 84 V HN 1.139 nan 8.190 nan 0.000 0.475 85 A N 4.969 127.878 122.820 0.148 0.000 1.908 85 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 85 A C 1.898 179.653 177.584 0.285 0.000 1.181 85 A CA 1.719 53.910 52.037 0.258 0.000 0.627 85 A CB -0.416 18.567 19.000 -0.029 0.000 0.818 85 A HN 0.739 nan 8.150 nan 0.000 0.445 86 L N -0.269 121.057 121.223 0.171 0.000 2.265 86 L HA -0.006 4.334 4.340 -0.000 0.000 0.215 86 L C 2.046 179.004 176.870 0.146 0.000 1.117 86 L CA 1.808 56.739 54.840 0.151 0.000 0.782 86 L CB -0.447 41.669 42.059 0.095 0.000 0.914 86 L HN 0.309 nan 8.230 nan 0.000 0.441 87 G N -1.929 106.959 108.800 0.147 0.000 3.189 87 G HA2 0.076 4.036 3.960 -0.000 0.000 0.225 87 G HA3 0.076 4.036 3.960 -0.000 0.000 0.225 87 G C 0.590 175.561 174.900 0.117 0.000 1.159 87 G CA 0.069 45.237 45.100 0.114 0.000 0.763 87 G HN 0.325 nan 8.290 nan 0.000 0.549 88 S N -0.067 115.739 115.700 0.177 0.000 2.589 88 S HA 0.478 4.947 4.470 -0.000 0.000 0.265 88 S C 1.177 175.848 174.600 0.117 0.000 1.342 88 S CA -0.052 58.224 58.200 0.127 0.000 1.005 88 S CB 1.041 64.397 63.200 0.260 0.000 0.909 88 S HN 0.402 nan 8.310 nan 0.000 0.555 89 G N 0.265 109.110 108.800 0.073 0.000 2.683 89 G HA2 0.204 4.164 3.960 -0.000 0.000 0.260 89 G HA3 0.204 4.164 3.960 -0.000 0.000 0.260 89 G C -0.673 174.346 174.900 0.198 0.000 1.238 89 G CA -0.611 44.565 45.100 0.126 0.000 0.934 89 G HN 0.620 nan 8.290 nan 0.000 0.534 90 D N -0.348 120.125 120.400 0.121 0.000 2.493 90 D HA 0.354 4.994 4.640 -0.000 0.000 0.240 90 D C 1.375 177.669 176.300 -0.010 0.000 1.142 90 D CA 1.730 55.761 54.000 0.052 0.000 0.872 90 D CB 0.913 41.723 40.800 0.016 0.000 1.173 90 D HN 0.844 nan 8.370 nan 0.000 0.467 91 G N 1.880 110.619 108.800 -0.101 0.000 2.268 91 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.240 91 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.240 91 G C -0.111 174.505 174.900 -0.475 0.000 1.010 91 G CA -0.298 44.623 45.100 -0.299 0.000 0.618 91 G HN 0.459 nan 8.290 nan 0.000 0.516 92 W N 0.642 121.777 121.300 -0.275 0.000 2.338 92 W HA 0.572 5.231 4.660 -0.001 0.000 0.307 92 W C 0.582 176.911 176.519 -0.317 0.000 1.167 92 W CA -0.115 56.918 57.345 -0.520 0.000 1.208 92 W CB -0.071 29.128 29.460 -0.434 0.000 1.228 92 W HN 0.323 nan 8.180 nan 0.000 0.499 93 W N 2.790 124.211 121.300 0.200 0.000 6.351 93 W HA -0.288 4.372 4.660 -0.000 0.000 0.403 93 W C 1.096 177.659 176.519 0.074 0.000 1.540 93 W CA -0.030 57.396 57.345 0.135 0.000 1.055 93 W CB -1.294 28.294 29.460 0.213 0.000 2.721 93 W HN 0.412 nan 8.180 nan 0.000 1.542 94 E N 0.645 120.918 120.200 0.122 0.000 2.347 94 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 94 E C 1.795 178.441 176.600 0.077 0.000 1.008 94 E CA 1.127 57.569 56.400 0.072 0.000 0.852 94 E CB 0.066 29.760 29.700 -0.011 0.000 0.783 94 E HN 0.512 nan 8.360 nan 0.000 0.505 95 E N 0.660 120.916 120.200 0.092 0.000 2.447 95 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 95 E C 0.390 177.042 176.600 0.087 0.000 1.028 95 E CA 0.057 56.498 56.400 0.068 0.000 0.876 95 E CB 0.139 29.862 29.700 0.039 0.000 0.885 95 E HN 0.117 nan 8.360 nan 0.000 0.500 96 E N 1.019 121.302 120.200 0.138 0.000 2.384 96 E HA -0.006 4.344 4.350 -0.000 0.000 0.266 96 E C 0.783 177.439 176.600 0.093 0.000 1.012 96 E CA 0.420 56.895 56.400 0.125 0.000 0.901 96 E CB 0.718 30.523 29.700 0.176 0.000 0.967 96 E HN 0.053 nan 8.360 nan 0.000 0.435 97 T N -0.208 114.387 114.554 0.069 0.000 2.986 97 T HA 0.136 4.486 4.350 -0.000 0.000 0.264 97 T C -0.013 174.715 174.700 0.047 0.000 0.964 97 T CA -0.323 61.810 62.100 0.054 0.000 0.895 97 T CB 0.097 68.990 68.868 0.043 0.000 1.163 97 T HN 0.317 nan 8.240 nan 0.000 0.517 98 D N 3.460 123.887 120.400 0.046 0.000 2.359 98 D HA 0.329 4.969 4.640 -0.000 0.000 0.230 98 D C -1.490 174.828 176.300 0.031 0.000 1.118 98 D CA -2.550 51.471 54.000 0.034 0.000 0.844 98 D CB 2.079 42.897 40.800 0.031 0.000 1.059 98 D HN 0.011 nan 8.370 nan 0.000 0.493 99 P HA 0.021 nan 4.420 nan 0.000 0.230 99 P C 1.138 178.443 177.300 0.008 0.000 1.158 99 P CA 0.353 63.468 63.100 0.025 0.000 0.769 99 P CB 0.293 32.008 31.700 0.025 0.000 0.807 100 G N 0.098 108.901 108.800 0.005 0.000 2.744 100 G HA2 0.032 3.992 3.960 -0.000 0.000 0.211 100 G HA3 0.032 3.992 3.960 -0.000 0.000 0.211 100 G C 0.510 175.389 174.900 -0.035 0.000 1.143 100 G CA -0.028 45.068 45.100 -0.006 0.000 0.788 100 G HN 0.164 nan 8.290 nan 0.000 0.534 101 V N 1.998 121.888 119.914 -0.041 0.000 2.555 101 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 101 V C 0.024 176.016 176.094 -0.169 0.000 1.044 101 V CA -0.324 61.921 62.300 -0.091 0.000 1.026 101 V CB 0.962 32.745 31.823 -0.066 0.000 0.981 101 V HN 0.186 nan 8.190 nan 0.000 0.480 102 R N 3.073 123.413 120.500 -0.266 0.000 2.637 102 R HA 0.672 5.012 4.340 -0.000 0.000 0.291 102 R C 0.096 176.042 176.300 -0.590 0.000 0.963 102 R CA -0.416 55.447 56.100 -0.396 0.000 0.901 102 R CB 2.082 32.170 30.300 -0.354 0.000 1.160 102 R HN 0.841 nan 8.270 nan 0.000 0.457 103 G N 1.654 109.790 108.800 -1.107 0.000 2.454 103 G HA2 0.714 4.673 3.960 -0.000 0.000 0.329 103 G HA3 0.714 4.673 3.960 -0.000 0.000 0.329 103 G C -0.338 174.020 174.900 -0.903 0.000 1.177 103 G CA -0.692 43.626 45.100 -1.304 0.000 0.951 103 G HN 0.566 nan 8.290 nan 0.000 0.485 104 I N -1.912 118.431 120.570 -0.379 0.000 2.828 104 I HA 0.739 4.909 4.170 -0.000 0.000 0.302 104 I C -1.598 174.566 176.117 0.079 0.000 1.101 104 I CA -1.070 60.172 61.300 -0.096 0.000 1.031 104 I CB 3.008 40.950 38.000 -0.098 0.000 1.231 104 I HN 0.213 nan 8.210 nan 0.000 0.427 105 D N 3.249 123.773 120.400 0.207 0.000 2.661 105 D HA 0.430 5.070 4.640 -0.000 0.000 0.228 105 D C -1.522 175.025 176.300 0.412 0.000 1.183 105 D CA -0.073 54.113 54.000 0.310 0.000 0.844 105 D CB 2.566 43.527 40.800 0.270 0.000 1.555 105 D HN 0.687 nan 8.370 nan 0.000 0.453 106 Q N 0.535 120.645 119.800 0.516 0.000 2.633 106 Q HA 0.588 4.928 4.340 -0.000 0.000 0.289 106 Q C -1.957 174.259 176.000 0.359 0.000 0.940 106 Q CA -0.908 55.121 55.803 0.377 0.000 0.785 106 Q CB 1.887 30.734 28.738 0.181 0.000 1.467 106 Q HN 0.454 nan 8.270 nan 0.000 0.401 107 L N -1.690 119.620 121.223 0.145 0.000 2.466 107 L HA 0.723 5.063 4.340 -0.000 0.000 0.258 107 L C -1.551 175.288 176.870 -0.052 0.000 0.973 107 L CA -0.927 53.933 54.840 0.034 0.000 0.826 107 L CB 1.703 43.670 42.059 -0.154 0.000 1.372 107 L HN 0.612 nan 8.230 nan 0.000 0.409 108 L N 2.235 123.424 121.223 -0.057 0.000 2.289 108 L HA 0.695 5.034 4.340 -0.000 0.000 0.285 108 L C 1.388 178.144 176.870 -0.190 0.000 1.049 108 L CA -0.292 54.466 54.840 -0.137 0.000 0.804 108 L CB 1.875 43.881 42.059 -0.088 0.000 1.195 108 L HN 1.042 nan 8.230 nan 0.000 0.428 109 A N 3.179 125.676 122.820 -0.537 0.000 1.930 109 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 109 A C 0.745 178.138 177.584 -0.319 0.000 1.175 109 A CA 1.017 52.530 52.037 -0.874 0.000 0.627 109 A CB -0.228 17.593 19.000 -1.965 0.000 0.815 109 A HN 0.755 nan 8.150 nan 0.000 0.443 110 N N -0.378 118.166 118.700 -0.260 0.000 2.424 110 N HA 0.466 5.206 4.740 -0.000 0.000 0.271 110 N C 0.798 176.084 175.510 -0.374 0.000 0.985 110 N CA 0.549 53.469 53.050 -0.217 0.000 0.921 110 N CB 1.665 40.050 38.487 -0.169 0.000 1.149 110 N HN 0.209 nan 8.380 nan 0.000 0.492 111 A N 2.221 124.687 122.820 -0.590 0.000 1.948 111 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 111 A C 2.058 179.451 177.584 -0.319 0.000 1.177 111 A CA 2.149 53.764 52.037 -0.705 0.000 0.636 111 A CB -0.495 18.202 19.000 -0.504 0.000 0.815 111 A HN 0.691 nan 8.150 nan 0.000 0.449 112 S N -0.912 114.663 115.700 -0.208 0.000 2.474 112 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 112 S C 1.517 176.048 174.600 -0.115 0.000 0.997 112 S CA 1.195 59.318 58.200 -0.128 0.000 0.949 112 S CB -0.306 62.840 63.200 -0.090 0.000 0.766 112 S HN 0.709 nan 8.310 nan 0.000 0.517 113 Q N 0.339 120.055 119.800 -0.140 0.000 2.319 113 Q HA 0.386 4.726 4.340 -0.000 0.000 0.202 113 Q C -0.260 175.677 176.000 -0.106 0.000 0.896 113 Q CA -0.212 55.525 55.803 -0.111 0.000 0.942 113 Q CB 0.186 28.858 28.738 -0.110 0.000 1.083 113 Q HN 0.548 nan 8.270 nan 0.000 0.510 114 L N 0.060 121.208 121.223 -0.125 0.000 2.417 114 L HA 0.230 4.570 4.340 -0.000 0.000 0.268 114 L C 1.157 177.986 176.870 -0.067 0.000 1.158 114 L CA 0.336 55.119 54.840 -0.094 0.000 0.819 114 L CB 0.461 42.461 42.059 -0.098 0.000 1.112 114 L HN 0.362 nan 8.230 nan 0.000 0.458 115 G N 1.776 110.542 108.800 -0.057 0.000 2.160 115 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.251 115 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.251 115 G C 0.564 175.438 174.900 -0.043 0.000 1.008 115 G CA 0.336 45.408 45.100 -0.047 0.000 0.724 115 G HN 0.749 nan 8.290 nan 0.000 0.514 116 K N -0.707 119.665 120.400 -0.046 0.000 2.506 116 K HA 0.446 4.766 4.320 -0.000 0.000 0.204 116 K C 1.687 178.266 176.600 -0.035 0.000 1.045 116 K CA 0.170 56.434 56.287 -0.039 0.000 1.074 116 K CB 0.883 33.358 32.500 -0.041 0.000 0.842 116 K HN 1.188 nan 8.250 nan 0.000 0.514 117 G N 1.382 110.159 108.800 -0.038 0.000 2.176 117 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.253 117 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.253 117 G C 0.809 175.690 174.900 -0.032 0.000 0.979 117 G CA 0.143 45.224 45.100 -0.032 0.000 0.641 117 G HN 0.247 nan 8.290 nan 0.000 0.530 118 L N 0.570 121.770 121.223 -0.039 0.000 2.156 118 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 118 L C 3.050 179.897 176.870 -0.039 0.000 1.095 118 L CA 1.558 56.376 54.840 -0.038 0.000 0.770 118 L CB -0.665 41.365 42.059 -0.047 0.000 0.914 118 L HN 0.345 nan 8.230 nan 0.000 0.439 119 G N -0.546 108.221 108.800 -0.054 0.000 2.418 119 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.217 119 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.217 119 G C 1.576 176.445 174.900 -0.052 0.000 1.158 119 G CA 1.243 46.304 45.100 -0.065 0.000 0.771 119 G HN 0.256 nan 8.290 nan 0.000 0.545 120 T N 0.833 115.361 114.554 -0.043 0.000 2.720 120 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 120 T C 2.344 177.057 174.700 0.021 0.000 1.037 120 T CA 1.523 63.619 62.100 -0.006 0.000 1.144 120 T CB -0.164 68.702 68.868 -0.003 0.000 0.864 120 T HN 0.311 nan 8.240 nan 0.000 0.444 121 K N 0.676 121.080 120.400 0.007 0.000 2.057 121 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 121 K C 2.283 178.891 176.600 0.014 0.000 1.049 121 K CA 0.937 57.232 56.287 0.013 0.000 0.931 121 K CB -0.418 32.083 32.500 0.001 0.000 0.714 121 K HN 0.251 nan 8.250 nan 0.000 0.440 122 L N 0.987 122.211 121.223 0.002 0.000 1.989 122 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 122 L C 2.157 179.034 176.870 0.012 0.000 1.071 122 L CA 1.341 56.179 54.840 -0.003 0.000 0.749 122 L CB -0.229 41.824 42.059 -0.010 0.000 0.890 122 L HN -0.024 nan 8.230 nan 0.000 0.431 123 V N 0.135 120.077 119.914 0.046 0.000 2.343 123 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 123 V C 2.678 178.847 176.094 0.126 0.000 1.051 123 V CA 2.051 64.421 62.300 0.115 0.000 1.036 123 V CB -0.781 31.161 31.823 0.198 0.000 0.654 123 V HN 0.464 nan 8.190 nan 0.000 0.451 124 R N 0.057 120.626 120.500 0.114 0.000 2.091 124 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 124 R C 2.430 178.783 176.300 0.088 0.000 1.136 124 R CA 1.536 57.710 56.100 0.123 0.000 0.959 124 R CB -0.608 29.756 30.300 0.106 0.000 0.856 124 R HN 0.552 nan 8.270 nan 0.000 0.437 125 A N 1.116 123.958 122.820 0.036 0.000 1.898 125 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 125 A C 2.056 179.597 177.584 -0.072 0.000 1.181 125 A CA 0.962 52.996 52.037 -0.004 0.000 0.620 125 A CB -0.371 18.616 19.000 -0.022 0.000 0.819 125 A HN 0.201 nan 8.150 nan 0.000 0.442 126 L N -0.156 121.005 121.223 -0.103 0.000 2.056 126 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 126 L C 2.400 179.145 176.870 -0.209 0.000 1.078 126 L CA 1.666 56.381 54.840 -0.209 0.000 0.749 126 L CB -0.605 41.337 42.059 -0.194 0.000 0.901 126 L HN 0.151 nan 8.230 nan 0.000 0.433 127 V N -0.101 119.736 119.914 -0.129 0.000 2.295 127 V HA -0.322 3.797 4.120 -0.000 0.000 0.246 127 V C 2.595 178.473 176.094 -0.360 0.000 1.049 127 V CA 2.026 64.177 62.300 -0.248 0.000 1.024 127 V CB -0.604 31.176 31.823 -0.071 0.000 0.648 127 V HN 0.612 nan 8.190 nan 0.000 0.447 128 E N -0.106 120.009 120.200 -0.140 0.000 2.058 128 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 128 E C 2.196 178.724 176.600 -0.120 0.000 0.997 128 E CA 1.723 58.077 56.400 -0.077 0.000 0.801 128 E CB -0.206 29.595 29.700 0.169 0.000 0.746 128 E HN 0.431 nan 8.360 nan 0.000 0.450 129 L N 0.966 122.109 121.223 -0.133 0.000 2.012 129 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 129 L C 2.178 178.949 176.870 -0.165 0.000 1.073 129 L CA 1.725 56.486 54.840 -0.132 0.000 0.748 129 L CB -0.506 41.445 42.059 -0.180 0.000 0.891 129 L HN 0.255 nan 8.230 nan 0.000 0.431 130 L N -1.784 119.270 121.223 -0.282 0.000 2.083 130 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 130 L C 2.263 178.928 176.870 -0.342 0.000 1.083 130 L CA 0.943 55.579 54.840 -0.340 0.000 0.752 130 L CB -0.567 41.200 42.059 -0.487 0.000 0.899 130 L HN 0.201 nan 8.230 nan 0.000 0.433 131 F N 0.106 119.867 119.950 -0.314 0.000 2.604 131 F HA -0.083 4.442 4.527 -0.002 0.000 0.298 131 F C 1.977 177.671 175.800 -0.176 0.000 1.131 131 F CA 0.712 58.517 58.000 -0.324 0.000 1.457 131 F CB -0.997 37.614 39.000 -0.649 0.000 1.095 131 F HN 0.162 nan 8.300 nan 0.000 0.574 132 N N -0.581 118.130 118.700 0.017 0.000 2.515 132 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 132 N C 0.138 175.659 175.510 0.018 0.000 1.109 132 N CA 0.047 53.114 53.050 0.029 0.000 0.903 132 N CB -0.029 38.470 38.487 0.020 0.000 0.969 132 N HN 0.028 nan 8.380 nan 0.000 0.450 133 D N 0.800 121.200 120.400 0.001 0.000 2.339 133 D HA 0.093 4.733 4.640 -0.000 0.000 0.241 133 D C -1.778 174.538 176.300 0.026 0.000 1.183 133 D CA -2.420 51.582 54.000 0.004 0.000 0.859 133 D CB 1.300 42.086 40.800 -0.022 0.000 1.067 133 D HN 0.004 nan 8.370 nan 0.000 0.484 134 P HA -0.096 nan 4.420 nan 0.000 0.221 134 P C 0.544 177.864 177.300 0.033 0.000 1.145 134 P CA 0.973 64.093 63.100 0.034 0.000 0.795 134 P CB 0.298 32.012 31.700 0.024 0.000 0.775 135 E N -1.035 119.180 120.200 0.024 0.000 2.435 135 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 135 E C 0.183 176.797 176.600 0.023 0.000 1.029 135 E CA -0.006 56.406 56.400 0.020 0.000 0.865 135 E CB 0.083 29.790 29.700 0.012 0.000 0.833 135 E HN 0.067 nan 8.360 nan 0.000 0.510 136 V N 1.961 121.893 119.914 0.031 0.000 2.555 136 V HA -0.035 4.085 4.120 -0.000 0.000 0.286 136 V C 1.385 177.553 176.094 0.124 0.000 1.044 136 V CA 0.813 63.130 62.300 0.028 0.000 1.026 136 V CB 1.337 33.126 31.823 -0.057 0.000 0.981 136 V HN 0.319 nan 8.190 nan 0.000 0.480 137 T N 1.169 115.783 114.554 0.100 0.000 2.999 137 T HA 0.277 4.627 4.350 -0.000 0.000 0.247 137 T C 0.405 175.225 174.700 0.200 0.000 1.012 137 T CA -0.050 62.124 62.100 0.123 0.000 1.048 137 T CB 0.407 69.307 68.868 0.054 0.000 1.020 137 T HN 0.502 nan 8.240 nan 0.000 0.478 138 K N 0.418 120.902 120.400 0.140 0.000 2.572 138 K HA 0.497 4.817 4.320 -0.000 0.000 0.263 138 K C -2.034 174.506 176.600 -0.100 0.000 0.932 138 K CA -0.918 55.424 56.287 0.092 0.000 0.838 138 K CB 1.821 34.342 32.500 0.035 0.000 1.366 138 K HN 0.012 nan 8.250 nan 0.000 0.425 139 I N 3.775 124.255 120.570 -0.150 0.000 2.412 139 I HA 0.288 4.458 4.170 -0.000 0.000 0.296 139 I C -0.052 176.037 176.117 -0.045 0.000 0.987 139 I CA -0.500 60.677 61.300 -0.205 0.000 1.180 139 I CB 1.290 39.138 38.000 -0.254 0.000 1.340 139 I HN 0.703 nan 8.210 nan 0.000 0.455 140 Q N 3.992 123.682 119.800 -0.183 0.000 2.348 140 Q HA 0.829 5.169 4.340 -0.000 0.000 0.271 140 Q C -1.300 174.430 176.000 -0.449 0.000 1.067 140 Q CA -0.741 54.858 55.803 -0.339 0.000 0.839 140 Q CB 2.438 30.884 28.738 -0.487 0.000 1.354 140 Q HN 0.606 nan 8.270 nan 0.000 0.447 141 T N 0.756 114.935 114.554 -0.624 0.000 2.896 141 T HA 0.399 4.749 4.350 -0.000 0.000 0.297 141 T C -1.359 173.153 174.700 -0.313 0.000 1.108 141 T CA -0.780 60.932 62.100 -0.646 0.000 1.004 141 T CB 1.326 69.331 68.868 -1.439 0.000 1.159 141 T HN 0.783 nan 8.240 nan 0.000 0.499 142 D N 0.074 120.447 120.400 -0.044 0.000 2.772 142 D HA 0.230 4.870 4.640 -0.000 0.000 0.326 142 D C -2.770 173.638 176.300 0.180 0.000 1.207 142 D CA -1.367 52.767 54.000 0.223 0.000 0.777 142 D CB 0.396 41.566 40.800 0.616 0.000 1.169 142 D HN 0.212 nan 8.370 nan 0.000 0.506 143 P HA 0.090 nan 4.420 nan 0.000 0.272 143 P C 0.481 177.860 177.300 0.131 0.000 1.223 143 P CA -0.131 63.055 63.100 0.143 0.000 0.784 143 P CB 1.052 32.850 31.700 0.163 0.000 0.923 144 S N 1.924 117.702 115.700 0.130 0.000 2.579 144 S HA 0.162 4.632 4.470 -0.000 0.000 0.275 144 S C -1.635 173.031 174.600 0.110 0.000 1.345 144 S CA -0.778 57.508 58.200 0.143 0.000 1.031 144 S CB -0.092 63.232 63.200 0.207 0.000 0.892 144 S HN 0.260 nan 8.310 nan 0.000 0.529 145 P HA -0.043 nan 4.420 nan 0.000 0.218 145 P C 1.331 178.688 177.300 0.096 0.000 1.148 145 P CA 1.167 64.322 63.100 0.091 0.000 0.822 145 P CB -0.121 31.631 31.700 0.087 0.000 0.784 146 S N -1.239 114.555 115.700 0.157 0.000 2.447 146 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 146 S C 1.236 175.921 174.600 0.142 0.000 1.006 146 S CA 0.538 58.876 58.200 0.231 0.000 0.957 146 S CB -0.963 62.462 63.200 0.375 0.000 0.773 146 S HN 0.154 nan 8.310 nan 0.000 0.507 147 N N 1.929 120.570 118.700 -0.098 0.000 3.245 147 N HA 0.194 4.934 4.740 -0.000 0.000 0.296 147 N C 0.640 175.932 175.510 -0.363 0.000 1.254 147 N CA -0.070 52.594 53.050 -0.643 0.000 1.190 147 N CB -0.452 37.623 38.487 -0.686 0.000 1.460 147 N HN 0.336 nan 8.380 nan 0.000 0.538 148 L N 0.177 121.270 121.223 -0.217 0.000 2.141 148 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 148 L C 2.459 179.242 176.870 -0.144 0.000 1.094 148 L CA 0.796 55.569 54.840 -0.112 0.000 0.763 148 L CB -0.174 41.864 42.059 -0.034 0.000 0.908 148 L HN 0.392 nan 8.230 nan 0.000 0.437 149 R N 0.598 120.969 120.500 -0.215 0.000 2.073 149 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 149 R C 2.382 178.529 176.300 -0.255 0.000 1.134 149 R CA 1.442 57.422 56.100 -0.200 0.000 0.952 149 R CB -0.227 29.956 30.300 -0.194 0.000 0.850 149 R HN 0.313 nan 8.270 nan 0.000 0.433 150 A N 1.162 123.772 122.820 -0.349 0.000 1.902 150 A HA -0.142 4.177 4.320 -0.000 0.000 0.217 150 A C 2.167 179.551 177.584 -0.334 0.000 1.181 150 A CA 1.485 53.278 52.037 -0.406 0.000 0.623 150 A CB -0.540 18.262 19.000 -0.330 0.000 0.818 150 A HN 0.372 nan 8.150 nan 0.000 0.443 151 I N -0.979 119.521 120.570 -0.116 0.000 2.163 151 I HA -0.287 3.882 4.170 -0.000 0.000 0.243 151 I C 2.694 178.814 176.117 0.005 0.000 1.085 151 I CA 1.882 63.200 61.300 0.030 0.000 1.347 151 I CB -0.259 37.754 38.000 0.023 0.000 1.044 151 I HN 0.285 nan 8.210 nan 0.000 0.408 152 R N 0.799 121.267 120.500 -0.052 0.000 2.096 152 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 152 R C 2.398 178.666 176.300 -0.053 0.000 1.127 152 R CA 1.861 57.940 56.100 -0.034 0.000 0.968 152 R CB -1.361 28.913 30.300 -0.042 0.000 0.861 152 R HN 0.544 nan 8.270 nan 0.000 0.440 153 C N -0.164 119.044 119.300 -0.153 0.000 2.413 153 C HA -0.140 4.320 4.460 -0.000 0.000 0.276 153 C C 2.249 177.170 174.990 -0.115 0.000 1.236 153 C CA 0.887 59.788 59.018 -0.196 0.000 1.735 153 C CB -1.258 26.266 27.740 -0.360 0.000 2.031 153 C HN 0.606 nan 8.230 nan 0.000 0.474 154 Y N 1.376 121.657 120.300 -0.031 0.000 2.224 154 Y HA -0.071 4.479 4.550 -0.000 0.000 0.289 154 Y C 2.519 178.524 175.900 0.176 0.000 1.146 154 Y CA 1.904 60.003 58.100 -0.002 0.000 1.182 154 Y CB -0.926 37.382 38.460 -0.253 0.000 0.983 154 Y HN 0.495 nan 8.280 nan 0.000 0.524 155 E N 0.253 120.596 120.200 0.239 0.000 2.058 155 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 155 E C 2.031 178.715 176.600 0.141 0.000 0.997 155 E CA 1.388 57.896 56.400 0.179 0.000 0.801 155 E CB -0.176 29.586 29.700 0.105 0.000 0.746 155 E HN 0.454 nan 8.360 nan 0.000 0.450 156 K N 0.224 120.683 120.400 0.100 0.000 2.152 156 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 156 K C 1.824 178.483 176.600 0.099 0.000 1.048 156 K CA 1.087 57.416 56.287 0.070 0.000 0.933 156 K CB 0.000 32.520 32.500 0.032 0.000 0.721 156 K HN 0.034 nan 8.250 nan 0.000 0.447 157 A N -0.030 122.893 122.820 0.173 0.000 2.251 157 A HA 0.234 4.553 4.320 -0.000 0.000 0.209 157 A C 1.258 178.961 177.584 0.198 0.000 1.187 157 A CA 0.747 52.914 52.037 0.216 0.000 0.823 157 A CB -0.060 19.131 19.000 0.318 0.000 0.846 157 A HN 0.396 nan 8.150 nan 0.000 0.486 158 G N -2.089 106.809 108.800 0.163 0.000 2.168 158 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.197 158 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.197 158 G C -0.074 174.796 174.900 -0.050 0.000 0.997 158 G CA -0.206 44.916 45.100 0.037 0.000 0.658 158 G HN 0.265 nan 8.290 nan 0.000 0.513 159 F N 1.200 121.185 119.950 0.059 0.000 2.375 159 F HA 0.606 5.130 4.527 -0.005 0.000 0.333 159 F C 0.939 176.743 175.800 0.008 0.000 1.104 159 F CA -0.136 57.871 58.000 0.011 0.000 1.149 159 F CB 0.957 39.946 39.000 -0.018 0.000 1.190 159 F HN 0.029 nan 8.300 nan 0.000 0.533 160 E N 1.743 122.036 120.200 0.156 0.000 2.210 160 E HA 0.338 4.688 4.350 -0.000 0.000 0.266 160 E C -0.875 175.772 176.600 0.079 0.000 0.883 160 E CA -1.034 55.422 56.400 0.094 0.000 0.761 160 E CB 1.500 31.229 29.700 0.048 0.000 1.156 160 E HN 0.424 nan 8.360 nan 0.000 0.412 161 R N 2.292 122.837 120.500 0.076 0.000 2.449 161 R HA 0.008 4.348 4.340 -0.000 0.000 0.296 161 R C 0.784 177.131 176.300 0.078 0.000 1.047 161 R CA 0.086 56.227 56.100 0.070 0.000 1.018 161 R CB 0.557 30.900 30.300 0.072 0.000 0.962 161 R HN 0.508 nan 8.270 nan 0.000 0.428 162 Q N 0.955 120.818 119.800 0.106 0.000 2.387 162 Q HA 0.231 4.571 4.340 -0.000 0.000 0.208 162 Q C 0.918 177.003 176.000 0.143 0.000 0.935 162 Q CA 0.907 56.796 55.803 0.143 0.000 0.891 162 Q CB 0.984 29.868 28.738 0.243 0.000 1.007 162 Q HN 0.890 nan 8.270 nan 0.000 0.548 163 G N -0.397 108.503 108.800 0.167 0.000 2.327 163 G HA2 0.149 4.108 3.960 -0.000 0.000 0.291 163 G HA3 0.149 4.108 3.960 -0.000 0.000 0.291 163 G C -1.363 173.629 174.900 0.153 0.000 1.290 163 G CA -0.745 44.435 45.100 0.133 0.000 0.857 163 G HN -0.097 nan 8.290 nan 0.000 0.520 164 T N 0.575 115.195 114.554 0.109 0.000 2.806 164 T HA 0.599 4.949 4.350 -0.000 0.000 0.290 164 T C 0.434 175.183 174.700 0.082 0.000 0.966 164 T CA 0.196 62.357 62.100 0.101 0.000 1.060 164 T CB 1.061 69.970 68.868 0.068 0.000 0.927 164 T HN 1.574 nan 8.240 nan 0.000 0.485 165 V N 0.854 120.824 119.914 0.094 0.000 2.914 165 V HA 0.755 4.875 4.120 -0.000 0.000 0.314 165 V C -0.098 175.992 176.094 -0.007 0.000 1.084 165 V CA -0.965 61.359 62.300 0.039 0.000 0.963 165 V CB 1.933 33.788 31.823 0.054 0.000 1.025 165 V HN 0.746 nan 8.190 nan 0.000 0.432 166 T N 3.220 117.728 114.554 -0.076 0.000 2.771 166 T HA 0.616 4.966 4.350 -0.000 0.000 0.291 166 T C 0.283 174.817 174.700 -0.277 0.000 0.954 166 T CA 0.228 62.242 62.100 -0.142 0.000 1.045 166 T CB 0.812 69.598 68.868 -0.137 0.000 0.917 166 T HN 1.251 nan 8.240 nan 0.000 0.484 167 T N 0.798 115.141 114.554 -0.352 0.000 2.942 167 T HA 0.493 4.843 4.350 -0.000 0.000 0.289 167 T C -2.077 172.192 174.700 -0.718 0.000 1.044 167 T CA -2.308 59.380 62.100 -0.685 0.000 1.023 167 T CB 1.509 69.978 68.868 -0.666 0.000 1.123 167 T HN 0.076 nan 8.240 nan 0.000 0.512 168 P HA 0.001 nan 4.420 nan 0.000 0.221 168 P C 0.564 177.597 177.300 -0.445 0.000 1.145 168 P CA 0.892 63.516 63.100 -0.793 0.000 0.795 168 P CB 0.038 31.087 31.700 -1.085 0.000 0.775 169 D N -1.503 118.663 120.400 -0.391 0.000 2.340 169 D HA 0.243 4.883 4.640 -0.000 0.000 0.220 169 D C 1.305 177.560 176.300 -0.076 0.000 1.039 169 D CA 0.829 54.773 54.000 -0.094 0.000 0.866 169 D CB 0.250 41.111 40.800 0.103 0.000 0.913 169 D HN 0.127 nan 8.370 nan 0.000 0.523 170 G N 0.675 109.392 108.800 -0.140 0.000 2.343 170 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.562 170 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.562 170 G C -2.842 172.018 174.900 -0.066 0.000 1.269 170 G CA -1.038 44.014 45.100 -0.080 0.000 1.011 170 G HN -0.135 nan 8.290 nan 0.000 0.498 171 P HA 0.528 nan 4.420 nan 0.000 0.272 171 P C -0.242 177.093 177.300 0.059 0.000 1.223 171 P CA 0.723 63.828 63.100 0.008 0.000 0.784 171 P CB 1.510 33.223 31.700 0.022 0.000 0.923 172 A N 1.935 124.813 122.820 0.096 0.000 2.539 172 A HA 0.499 4.819 4.320 -0.000 0.000 0.296 172 A C -0.902 176.788 177.584 0.178 0.000 1.073 172 A CA -0.718 51.415 52.037 0.159 0.000 0.700 172 A CB 1.350 20.494 19.000 0.239 0.000 1.296 172 A HN 0.257 nan 8.150 nan 0.000 0.405 173 V N 2.478 122.490 119.914 0.163 0.000 2.372 173 V HA 0.106 4.226 4.120 -0.000 0.000 0.261 173 V C -0.438 175.770 176.094 0.191 0.000 1.055 173 V CA -0.008 62.385 62.300 0.155 0.000 0.930 173 V CB -0.244 31.642 31.823 0.105 0.000 1.031 173 V HN 0.713 nan 8.190 nan 0.000 0.479 174 Y N 6.956 127.316 120.300 0.099 0.000 2.436 174 Y HA 0.483 5.034 4.550 0.002 0.000 0.336 174 Y C 0.180 176.109 175.900 0.048 0.000 1.049 174 Y CA -0.211 57.944 58.100 0.092 0.000 1.294 174 Y CB 0.566 39.105 38.460 0.130 0.000 1.179 174 Y HN 0.567 nan 8.280 nan 0.000 0.520 175 M N 7.391 126.735 119.600 -0.426 0.000 2.464 175 M HA 0.618 5.097 4.480 -0.000 0.000 0.308 175 M C -1.209 174.904 176.300 -0.311 0.000 1.127 175 M CA -1.188 53.950 55.300 -0.269 0.000 0.913 175 M CB 2.104 34.598 32.600 -0.177 0.000 1.689 175 M HN 0.428 nan 8.290 nan 0.000 0.445 176 V N 0.233 120.117 119.914 -0.051 0.000 3.007 176 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 176 V C -1.435 174.624 176.094 -0.059 0.000 1.120 176 V CA -0.598 61.686 62.300 -0.026 0.000 0.980 176 V CB 2.063 33.808 31.823 -0.131 0.000 1.033 176 V HN 1.006 nan 8.190 nan 0.000 0.429 177 Q N 1.941 121.586 119.800 -0.257 0.000 2.275 177 Q HA 0.586 4.926 4.340 -0.000 0.000 0.266 177 Q C -0.400 175.573 176.000 -0.046 0.000 1.002 177 Q CA -0.335 55.271 55.803 -0.329 0.000 0.761 177 Q CB 2.103 30.348 28.738 -0.822 0.000 1.255 177 Q HN 1.175 nan 8.270 nan 0.000 0.446 178 T N 0.093 114.640 114.554 -0.012 0.000 2.874 178 T HA 0.272 4.622 4.350 -0.000 0.000 0.281 178 T C 0.958 175.599 174.700 -0.098 0.000 0.994 178 T CA -0.579 61.537 62.100 0.027 0.000 1.015 178 T CB 1.527 70.383 68.868 -0.019 0.000 1.028 178 T HN 0.809 nan 8.240 nan 0.000 0.523 179 R N 0.303 120.661 120.500 -0.237 0.000 2.091 179 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 179 R C 2.489 178.566 176.300 -0.372 0.000 1.136 179 R CA 1.643 57.318 56.100 -0.709 0.000 0.959 179 R CB -0.351 29.701 30.300 -0.414 0.000 0.856 179 R HN 0.782 nan 8.270 nan 0.000 0.437 180 Q N -0.404 119.284 119.800 -0.188 0.000 2.096 180 Q HA -0.177 4.162 4.340 -0.000 0.000 0.204 180 Q C 2.123 178.054 176.000 -0.115 0.000 0.982 180 Q CA 1.740 57.468 55.803 -0.124 0.000 0.850 180 Q CB -0.138 28.553 28.738 -0.079 0.000 0.901 180 Q HN 0.479 nan 8.270 nan 0.000 0.422 181 A N 0.456 123.215 122.820 -0.101 0.000 1.902 181 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 181 A C 1.840 179.375 177.584 -0.081 0.000 1.181 181 A CA 1.181 53.170 52.037 -0.080 0.000 0.623 181 A CB -0.805 18.157 19.000 -0.062 0.000 0.818 181 A HN 0.444 nan 8.150 nan 0.000 0.443 182 F N 1.001 120.789 119.950 -0.270 0.000 2.102 182 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 182 F C 2.156 177.823 175.800 -0.222 0.000 1.105 182 F CA 2.200 60.040 58.000 -0.267 0.000 1.239 182 F CB -0.338 38.368 39.000 -0.491 0.000 0.991 182 F HN 0.368 nan 8.300 nan 0.000 0.474 183 E N -0.076 119.995 120.200 -0.215 0.000 2.085 183 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 183 E C 2.223 178.680 176.600 -0.238 0.000 0.994 183 E CA 1.601 57.861 56.400 -0.233 0.000 0.801 183 E CB -0.197 29.423 29.700 -0.132 0.000 0.743 183 E HN 0.452 nan 8.360 nan 0.000 0.453 184 R N -0.188 120.201 120.500 -0.184 0.000 2.193 184 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 184 R C 2.198 178.404 176.300 -0.157 0.000 1.055 184 R CA 1.536 57.550 56.100 -0.143 0.000 0.995 184 R CB 0.098 30.337 30.300 -0.101 0.000 0.893 184 R HN 0.259 nan 8.270 nan 0.000 0.459 185 T N -2.742 111.687 114.554 -0.209 0.000 2.990 185 T HA 0.105 4.455 4.350 -0.000 0.000 0.249 185 T C 1.725 176.273 174.700 -0.254 0.000 1.039 185 T CA -0.222 61.764 62.100 -0.189 0.000 1.036 185 T CB 0.169 68.953 68.868 -0.141 0.000 0.994 185 T HN -0.095 nan 8.240 nan 0.000 0.489 186 R N 2.712 122.956 120.500 -0.427 0.000 2.152 186 R HA 0.154 4.494 4.340 -0.000 0.000 0.232 186 R C 0.933 177.076 176.300 -0.261 0.000 1.117 186 R CA 0.648 56.459 56.100 -0.482 0.000 0.981 186 R CB -1.124 28.676 30.300 -0.834 0.000 0.870 186 R HN 0.472 nan 8.270 nan 0.000 0.451 187 S N 0.000 115.577 115.700 -0.206 0.000 2.498 187 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 187 S CA 0.000 58.121 58.200 -0.131 0.000 1.107 187 S CB 0.000 63.134 63.200 -0.110 0.000 0.593 187 S HN 0.000 nan 8.310 nan 0.000 0.517