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 2c0e_1_A DATA FIRST_RESID 24 DATA SEQUENCE CTGCVDLDEL SFEKTVERFP YSVVKFDIAY PYGEKHEAFT AFSKSAHKAT DATA SEQUENCE KDLLIATVGV KDYGELENKA LGDRYKVDDK NFPSIFLFKG NADEYVQLPS DATA SEQUENCE HVDVTLDNLK AFVSANTPLY IGRDGCIKEF NEVLKNYANI PDAEQLKLIE DATA SEQUENCE KLQAKQEQLT DPEQQQNARA YLIYMRKIHE VGYDFLEEET KRLLRLKAGK DATA SEQUENCE VTEAKKEELL RKLNILEVFR VHKVTKTA 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 24 C HA 0.000 nan 4.460 nan 0.000 0.325 24 C C 0.000 175.028 174.990 0.063 0.000 1.270 24 C CA 0.000 59.092 59.018 0.124 0.000 1.963 24 C CB 0.000 27.770 27.740 0.050 0.000 2.134 25 T N 0.356 114.923 114.554 0.022 0.000 2.814 25 T HA 0.464 4.815 4.350 0.000 0.000 0.297 25 T C 1.431 176.093 174.700 -0.062 0.000 0.956 25 T CA 2.033 64.118 62.100 -0.024 0.000 1.123 25 T CB -0.163 68.684 68.868 -0.034 0.000 0.902 25 T HN 2.862 nan 8.240 nan 0.000 0.528 26 G N 3.470 112.197 108.800 -0.121 0.000 2.212 26 G HA2 -0.259 3.701 3.960 0.000 0.000 0.266 26 G HA3 -0.259 3.701 3.960 0.000 0.000 0.266 26 G C 0.515 175.446 174.900 0.052 0.000 0.978 26 G CA 0.168 45.151 45.100 -0.194 0.000 0.632 26 G HN 0.938 nan 8.290 nan 0.000 0.537 27 C N 1.243 120.581 119.300 0.064 0.000 2.415 27 C HA 0.585 5.045 4.460 0.000 0.000 0.369 27 C C 1.052 176.085 174.990 0.071 0.000 1.279 27 C CA -0.710 58.379 59.018 0.118 0.000 1.886 27 C CB 0.770 28.624 27.740 0.190 0.000 2.468 27 C HN 0.347 nan 8.230 nan 0.000 0.553 28 V N 4.139 124.077 119.914 0.040 0.000 2.385 28 V HA 0.118 4.238 4.120 0.000 0.000 0.269 28 V C 0.196 176.287 176.094 -0.004 0.000 1.043 28 V CA 0.172 62.472 62.300 0.002 0.000 0.906 28 V CB 1.137 32.931 31.823 -0.048 0.000 0.995 28 V HN 0.865 nan 8.190 nan 0.000 0.467 29 D N 4.810 125.207 120.400 -0.005 0.000 2.312 29 D HA 0.482 5.122 4.640 0.000 0.000 0.252 29 D C -0.425 175.854 176.300 -0.035 0.000 1.150 29 D CA 0.027 54.008 54.000 -0.030 0.000 0.870 29 D CB 0.740 41.518 40.800 -0.036 0.000 1.153 29 D HN 0.379 nan 8.370 nan 0.000 0.457 30 L N 2.721 123.919 121.223 -0.042 0.000 2.313 30 L HA 0.595 4.935 4.340 0.000 0.000 0.268 30 L C -0.144 176.726 176.870 -0.001 0.000 1.010 30 L CA -0.938 53.907 54.840 0.007 0.000 0.814 30 L CB 1.717 43.830 42.059 0.089 0.000 1.304 30 L HN 0.524 nan 8.230 nan 0.000 0.441 31 D N -2.128 118.294 120.400 0.038 0.000 2.781 31 D HA 0.169 4.809 4.640 0.000 0.000 0.295 31 D C 0.398 176.731 176.300 0.055 0.000 1.143 31 D CA -0.569 53.439 54.000 0.014 0.000 1.076 31 D CB 0.827 41.623 40.800 -0.005 0.000 1.444 31 D HN 0.137 nan 8.370 nan 0.000 0.567 32 E N -1.138 119.076 120.200 0.023 0.000 2.118 32 E HA -0.058 4.292 4.350 0.000 0.000 0.195 32 E C 1.793 178.428 176.600 0.058 0.000 0.992 32 E CA 1.141 57.559 56.400 0.030 0.000 0.804 32 E CB -0.491 29.214 29.700 0.009 0.000 0.741 32 E HN 0.457 nan 8.360 nan 0.000 0.458 33 L N 0.160 121.411 121.223 0.047 0.000 2.162 33 L HA -0.003 4.337 4.340 0.000 0.000 0.205 33 L C 2.541 179.445 176.870 0.056 0.000 1.086 33 L CA 1.563 56.429 54.840 0.044 0.000 0.778 33 L CB -0.196 41.879 42.059 0.027 0.000 0.928 33 L HN 0.362 nan 8.230 nan 0.000 0.446 34 S N -1.633 114.108 115.700 0.068 0.000 2.505 34 S HA -0.028 4.442 4.470 0.000 0.000 0.216 34 S C 1.726 176.359 174.600 0.054 0.000 1.018 34 S CA -0.402 57.828 58.200 0.049 0.000 0.911 34 S CB -0.314 62.904 63.200 0.030 0.000 0.818 34 S HN 0.294 nan 8.310 nan 0.000 0.497 35 F N 2.968 122.886 119.950 -0.053 0.000 2.026 35 F HA -0.052 4.475 4.527 0.000 0.000 0.296 35 F C 2.494 178.239 175.800 -0.093 0.000 1.133 35 F CA 2.273 60.219 58.000 -0.090 0.000 1.188 35 F CB -0.475 38.471 39.000 -0.090 0.000 0.968 35 F HN 0.323 nan 8.300 nan 0.000 0.476 36 E N 0.338 120.635 120.200 0.161 0.000 2.038 36 E HA -0.271 4.079 4.350 0.000 0.000 0.195 36 E C 2.234 178.785 176.600 -0.083 0.000 1.000 36 E CA 1.624 58.043 56.400 0.032 0.000 0.803 36 E CB -0.202 29.590 29.700 0.153 0.000 0.750 36 E HN 0.422 nan 8.360 nan 0.000 0.448 37 K N -0.537 119.848 120.400 -0.025 0.000 2.160 37 K HA -0.140 4.180 4.320 0.000 0.000 0.206 37 K C 2.112 178.687 176.600 -0.041 0.000 1.047 37 K CA 1.848 58.120 56.287 -0.025 0.000 0.930 37 K CB -0.048 32.453 32.500 0.001 0.000 0.720 37 K HN 0.203 nan 8.250 nan 0.000 0.450 38 T N 0.194 114.695 114.554 -0.088 0.000 2.901 38 T HA -0.035 4.315 4.350 0.000 0.000 0.252 38 T C 1.961 176.640 174.700 -0.034 0.000 1.035 38 T CA 0.625 62.708 62.100 -0.029 0.000 1.142 38 T CB -0.045 68.789 68.868 -0.057 0.000 0.869 38 T HN -0.083 nan 8.240 nan 0.000 0.442 39 V N 2.749 122.473 119.914 -0.317 0.000 2.392 39 V HA -0.172 3.948 4.120 0.000 0.000 0.249 39 V C 2.601 178.630 176.094 -0.108 0.000 1.059 39 V CA 1.997 64.089 62.300 -0.347 0.000 1.051 39 V CB -0.690 30.634 31.823 -0.832 0.000 0.658 39 V HN 0.704 nan 8.190 nan 0.000 0.455 40 E N -0.456 119.687 120.200 -0.095 0.000 2.511 40 E HA -0.150 4.200 4.350 0.000 0.000 0.196 40 E C 1.885 178.479 176.600 -0.010 0.000 1.066 40 E CA 0.293 56.674 56.400 -0.033 0.000 0.871 40 E CB 0.013 29.699 29.700 -0.025 0.000 0.863 40 E HN 0.348 nan 8.360 nan 0.000 0.520 41 R N -0.145 120.371 120.500 0.026 0.000 2.290 41 R HA 0.238 4.578 4.340 0.000 0.000 0.197 41 R C -0.343 175.866 176.300 -0.153 0.000 0.913 41 R CA 0.200 56.270 56.100 -0.051 0.000 1.040 41 R CB 0.012 30.272 30.300 -0.066 0.000 0.992 41 R HN 0.109 nan 8.270 nan 0.000 0.500 42 F N 0.178 120.078 119.950 -0.082 0.000 2.458 42 F HA 0.345 4.872 4.527 0.000 0.000 0.330 42 F C -1.231 174.505 175.800 -0.108 0.000 1.082 42 F CA -2.631 55.328 58.000 -0.067 0.000 0.995 42 F CB 1.440 40.414 39.000 -0.045 0.000 1.170 42 F HN -0.213 nan 8.300 nan 0.000 0.478 43 P HA -0.097 nan 4.420 nan 0.000 0.217 43 P C -1.012 175.964 177.300 -0.540 0.000 1.150 43 P CA 1.612 64.561 63.100 -0.251 0.000 0.832 43 P CB 0.154 31.754 31.700 -0.167 0.000 0.787 44 Y N -2.391 117.998 120.300 0.148 0.000 2.545 44 Y HA 0.560 5.110 4.550 0.000 0.000 0.348 44 Y C 0.058 176.019 175.900 0.102 0.000 1.002 44 Y CA -0.815 57.356 58.100 0.118 0.000 1.039 44 Y CB 1.848 40.349 38.460 0.070 0.000 1.271 44 Y HN -0.417 nan 8.280 nan 0.000 0.467 45 S N 1.235 117.108 115.700 0.288 0.000 2.571 45 S HA 0.653 5.123 4.470 0.000 0.000 0.284 45 S C -1.402 173.378 174.600 0.300 0.000 1.128 45 S CA -0.742 57.571 58.200 0.187 0.000 0.970 45 S CB 1.699 64.963 63.200 0.106 0.000 1.039 45 S HN 0.330 nan 8.310 nan 0.000 0.485 46 V N 3.748 123.824 119.914 0.270 0.000 2.384 46 V HA 0.529 4.649 4.120 0.000 0.000 0.287 46 V C -0.570 175.815 176.094 0.484 0.000 1.020 46 V CA -0.538 62.009 62.300 0.412 0.000 0.850 46 V CB 1.572 33.665 31.823 0.450 0.000 0.987 46 V HN 0.691 nan 8.190 nan 0.000 0.436 47 V N 4.895 125.127 119.914 0.529 0.000 2.448 47 V HA 0.475 4.595 4.120 0.000 0.000 0.295 47 V C -0.093 176.157 176.094 0.260 0.000 1.025 47 V CA -0.994 61.530 62.300 0.373 0.000 0.859 47 V CB 1.834 33.881 31.823 0.373 0.000 0.988 47 V HN 0.845 nan 8.190 nan 0.000 0.431 48 K N 4.284 124.580 120.400 -0.175 0.000 2.281 48 K HA 0.513 4.833 4.320 0.000 0.000 0.272 48 K C -1.177 175.256 176.600 -0.279 0.000 1.048 48 K CA -0.462 55.604 56.287 -0.368 0.000 0.898 48 K CB 0.496 32.275 32.500 -1.202 0.000 1.128 48 K HN 0.443 nan 8.250 nan 0.000 0.460 49 F N 3.046 122.946 119.950 -0.083 0.000 2.427 49 F HA 0.272 4.799 4.527 0.000 0.000 0.352 49 F C 0.698 176.197 175.800 -0.501 0.000 1.100 49 F CA 0.107 57.981 58.000 -0.210 0.000 1.191 49 F CB 0.778 39.778 39.000 -0.001 0.000 1.128 49 F HN 0.589 nan 8.300 nan 0.000 0.533 50 D N 0.670 120.636 120.400 -0.724 0.000 2.692 50 D HA 0.308 4.948 4.640 0.000 0.000 0.303 50 D C -0.650 175.063 176.300 -0.978 0.000 1.278 50 D CA -0.423 53.005 54.000 -0.953 0.000 0.852 50 D CB 1.946 42.497 40.800 -0.415 0.000 1.375 50 D HN 0.282 nan 8.370 nan 0.000 0.453 51 I N -0.607 119.653 120.570 -0.516 0.000 3.245 51 I HA 0.537 4.707 4.170 0.000 0.000 0.290 51 I C 0.758 176.734 176.117 -0.235 0.000 1.269 51 I CA -0.575 60.614 61.300 -0.186 0.000 1.383 51 I CB -1.091 36.931 38.000 0.038 0.000 1.337 51 I HN 0.574 nan 8.210 nan 0.000 0.599 52 A N 3.261 125.964 122.820 -0.195 0.000 2.425 52 A HA 0.512 4.833 4.320 0.000 0.000 0.242 52 A C 0.165 177.579 177.584 -0.284 0.000 1.077 52 A CA -0.056 51.743 52.037 -0.396 0.000 0.781 52 A CB -0.954 17.754 19.000 -0.487 0.000 1.020 52 A HN 1.935 nan 8.150 nan 0.000 0.494 53 Y N -1.393 118.874 120.300 -0.056 0.000 2.988 53 Y HA -0.153 4.397 4.550 0.000 0.000 0.193 53 Y C -1.877 174.000 175.900 -0.040 0.000 1.388 53 Y CA 0.162 58.238 58.100 -0.041 0.000 0.904 53 Y CB -2.405 36.052 38.460 -0.006 0.000 1.297 53 Y HN 0.633 nan 8.280 nan 0.000 0.432 54 P HA 0.391 nan 4.420 nan 0.000 0.274 54 P C -0.353 176.776 177.300 -0.284 0.000 1.246 54 P CA 0.144 63.066 63.100 -0.297 0.000 0.795 54 P CB 1.308 32.677 31.700 -0.551 0.000 1.006 55 Y N -3.400 116.756 120.300 -0.240 0.000 2.779 55 Y HA 0.596 5.146 4.550 0.000 0.000 0.340 55 Y C -0.164 175.770 175.900 0.057 0.000 1.252 55 Y CA -0.512 57.557 58.100 -0.052 0.000 1.072 55 Y CB 0.337 38.792 38.460 -0.007 0.000 1.343 55 Y HN 0.943 nan 8.280 nan 0.000 0.450 56 G N -0.238 108.664 108.800 0.170 0.000 2.685 56 G HA2 0.263 4.223 3.960 0.000 0.000 0.387 56 G HA3 0.263 4.223 3.960 0.000 0.000 0.387 56 G C 0.212 175.161 174.900 0.081 0.000 1.324 56 G CA 0.577 45.717 45.100 0.066 0.000 0.878 56 G HN 1.675 nan 8.290 nan 0.000 0.527 57 E N -0.761 119.471 120.200 0.053 0.000 2.152 57 E HA -0.038 4.313 4.350 0.000 0.000 0.192 57 E C 2.603 179.237 176.600 0.056 0.000 0.983 57 E CA 2.338 58.773 56.400 0.058 0.000 0.818 57 E CB -0.439 29.287 29.700 0.042 0.000 0.758 57 E HN 0.925 nan 8.360 nan 0.000 0.467 58 K N -0.822 119.603 120.400 0.042 0.000 2.103 58 K HA -0.020 4.300 4.320 0.000 0.000 0.204 58 K C 2.218 178.878 176.600 0.099 0.000 1.052 58 K CA 1.032 57.347 56.287 0.047 0.000 0.945 58 K CB -0.601 31.906 32.500 0.012 0.000 0.722 58 K HN 0.845 nan 8.250 nan 0.000 0.443 59 H N 1.433 120.508 119.070 0.008 0.000 2.389 59 H HA -0.070 4.486 4.556 0.000 0.000 0.299 59 H C 2.073 177.481 175.328 0.134 0.000 1.081 59 H CA 2.107 58.183 56.048 0.048 0.000 1.345 59 H CB -0.027 29.730 29.762 -0.008 0.000 1.393 59 H HN 0.255 nan 8.280 nan 0.000 0.520 60 E N -0.309 119.925 120.200 0.058 0.000 2.106 60 E HA -0.075 4.275 4.350 0.000 0.000 0.192 60 E C 2.511 179.131 176.600 0.033 0.000 0.984 60 E CA 0.701 57.117 56.400 0.026 0.000 0.806 60 E CB -0.734 29.015 29.700 0.082 0.000 0.750 60 E HN 0.730 nan 8.360 nan 0.000 0.458 61 A N 0.167 123.024 122.820 0.061 0.000 1.877 61 A HA -0.110 4.210 4.320 0.000 0.000 0.216 61 A C 1.993 179.646 177.584 0.115 0.000 1.186 61 A CA 1.547 53.626 52.037 0.070 0.000 0.620 61 A CB -0.800 18.235 19.000 0.057 0.000 0.822 61 A HN 0.437 nan 8.150 nan 0.000 0.443 62 F N 1.320 121.264 119.950 -0.010 0.000 2.120 62 F HA -0.212 4.316 4.527 0.000 0.000 0.300 62 F C 2.610 178.442 175.800 0.053 0.000 1.095 62 F CA 2.321 60.350 58.000 0.049 0.000 1.249 62 F CB -0.600 38.386 39.000 -0.022 0.000 0.995 62 F HN 0.219 nan 8.300 nan 0.000 0.480 63 T N -0.072 114.496 114.554 0.024 0.000 2.788 63 T HA -0.171 4.179 4.350 0.000 0.000 0.268 63 T C 2.146 176.825 174.700 -0.035 0.000 1.044 63 T CA 1.304 63.374 62.100 -0.051 0.000 1.139 63 T CB -0.664 68.150 68.868 -0.090 0.000 0.867 63 T HN 0.358 nan 8.240 nan 0.000 0.454 64 A N 0.998 123.818 122.820 0.001 0.000 1.897 64 A HA 0.053 4.374 4.320 0.000 0.000 0.215 64 A C 1.979 179.561 177.584 -0.004 0.000 1.181 64 A CA 1.088 53.127 52.037 0.002 0.000 0.620 64 A CB -0.943 18.073 19.000 0.025 0.000 0.821 64 A HN 0.486 nan 8.150 nan 0.000 0.443 65 F N 1.423 121.281 119.950 -0.152 0.000 2.154 65 F HA -0.206 4.322 4.527 0.000 0.000 0.301 65 F C 2.604 178.258 175.800 -0.244 0.000 1.087 65 F CA 1.891 59.764 58.000 -0.212 0.000 1.274 65 F CB -0.467 38.355 39.000 -0.297 0.000 1.009 65 F HN 0.254 nan 8.300 nan 0.000 0.485 66 S N -0.049 115.372 115.700 -0.464 0.000 2.368 66 S HA -0.177 4.293 4.470 0.000 0.000 0.224 66 S C 2.105 176.591 174.600 -0.190 0.000 1.029 66 S CA 1.369 59.285 58.200 -0.473 0.000 0.988 66 S CB -0.415 62.662 63.200 -0.205 0.000 0.838 66 S HN 0.540 nan 8.310 nan 0.000 0.462 67 K N 1.061 121.392 120.400 -0.116 0.000 2.057 67 K HA -0.060 4.260 4.320 0.000 0.000 0.207 67 K C 2.676 179.228 176.600 -0.081 0.000 1.049 67 K CA 1.595 57.851 56.287 -0.050 0.000 0.931 67 K CB -0.407 32.059 32.500 -0.056 0.000 0.714 67 K HN 0.613 nan 8.250 nan 0.000 0.440 68 S N 0.989 116.599 115.700 -0.151 0.000 2.387 68 S HA -0.050 4.420 4.470 0.000 0.000 0.226 68 S C 2.305 176.767 174.600 -0.230 0.000 1.026 68 S CA 0.845 58.954 58.200 -0.152 0.000 0.972 68 S CB -0.121 63.010 63.200 -0.115 0.000 0.814 68 S HN 0.271 nan 8.310 nan 0.000 0.477 69 A N 1.596 124.159 122.820 -0.428 0.000 1.902 69 A HA -0.074 4.246 4.320 0.000 0.000 0.217 69 A C 1.931 179.284 177.584 -0.384 0.000 1.181 69 A CA 1.760 53.487 52.037 -0.517 0.000 0.623 69 A CB -1.310 17.128 19.000 -0.936 0.000 0.818 69 A HN 0.737 nan 8.150 nan 0.000 0.443 70 H N -0.141 118.777 119.070 -0.252 0.000 2.387 70 H HA -0.062 4.494 4.556 0.000 0.000 0.299 70 H C 2.020 177.280 175.328 -0.114 0.000 1.099 70 H CA 1.800 57.758 56.048 -0.151 0.000 1.315 70 H CB 0.003 29.688 29.762 -0.129 0.000 1.380 70 H HN 0.453 nan 8.280 nan 0.000 0.513 71 K N -0.073 120.322 120.400 -0.009 0.000 2.147 71 K HA -0.081 4.239 4.320 0.000 0.000 0.205 71 K C 2.275 178.847 176.600 -0.046 0.000 1.049 71 K CA 1.040 57.309 56.287 -0.029 0.000 0.936 71 K CB 0.030 32.501 32.500 -0.048 0.000 0.722 71 K HN 0.294 nan 8.250 nan 0.000 0.446 72 A N 0.745 123.516 122.820 -0.082 0.000 1.911 72 A HA 0.019 4.340 4.320 0.000 0.000 0.212 72 A C 0.921 178.472 177.584 -0.055 0.000 1.189 72 A CA 0.736 52.723 52.037 -0.083 0.000 0.639 72 A CB 0.165 19.083 19.000 -0.137 0.000 0.839 72 A HN 0.206 nan 8.150 nan 0.000 0.449 73 T N -1.006 113.505 114.554 -0.073 0.000 2.841 73 T HA 0.575 4.925 4.350 0.000 0.000 0.283 73 T C 0.887 175.582 174.700 -0.008 0.000 1.000 73 T CA -0.036 62.039 62.100 -0.041 0.000 0.977 73 T CB 1.860 70.689 68.868 -0.066 0.000 0.979 73 T HN 0.293 nan 8.240 nan 0.000 0.446 74 K N 0.889 121.307 120.400 0.029 0.000 2.155 74 K HA -0.017 4.303 4.320 0.000 0.000 0.203 74 K C 1.217 177.876 176.600 0.099 0.000 1.052 74 K CA 1.220 57.542 56.287 0.058 0.000 0.948 74 K CB -0.508 nan 32.500 nan 0.000 0.728 74 K HN 0.640 nan 8.250 nan 0.000 0.448 75 D N -0.859 119.604 120.400 0.106 0.000 2.349 75 D HA 0.150 4.790 4.640 0.000 0.000 0.214 75 D C -0.661 175.797 176.300 0.264 0.000 1.063 75 D CA -0.110 54.000 54.000 0.183 0.000 0.847 75 D CB 0.335 41.249 40.800 0.191 0.000 0.933 75 D HN 0.244 nan 8.370 nan 0.000 0.513 76 L N 1.574 122.885 121.223 0.147 0.000 2.280 76 L HA 0.320 4.660 4.340 0.000 0.000 0.287 76 L C -0.872 175.923 176.870 -0.126 0.000 1.023 76 L CA -0.977 53.891 54.840 0.047 0.000 0.819 76 L CB 1.284 43.299 42.059 -0.074 0.000 1.212 76 L HN -0.188 nan 8.230 nan 0.000 0.420 77 L N 6.652 127.706 121.223 -0.281 0.000 2.433 77 L HA 0.348 4.688 4.340 0.000 0.000 0.275 77 L C -0.540 176.187 176.870 -0.238 0.000 1.128 77 L CA 0.465 54.943 54.840 -0.603 0.000 0.875 77 L CB 0.055 41.531 42.059 -0.971 0.000 1.171 77 L HN 0.387 nan 8.230 nan 0.000 0.463 78 I N 5.838 126.280 120.570 -0.213 0.000 2.321 78 I HA 0.642 4.812 4.170 0.000 0.000 0.291 78 I C 0.221 176.387 176.117 0.081 0.000 0.998 78 I CA -0.316 60.965 61.300 -0.030 0.000 1.227 78 I CB 0.440 38.347 38.000 -0.155 0.000 1.368 78 I HN 0.758 nan 8.210 nan 0.000 0.466 79 A N 4.776 127.736 122.820 0.233 0.000 2.587 79 A HA 0.860 5.180 4.320 0.000 0.000 0.293 79 A C -0.348 177.308 177.584 0.121 0.000 1.087 79 A CA -0.515 51.593 52.037 0.119 0.000 0.692 79 A CB 2.005 20.983 19.000 -0.038 0.000 1.291 79 A HN 0.711 nan 8.150 nan 0.000 0.407 80 T N -1.595 112.947 114.554 -0.019 0.000 2.893 80 T HA 0.734 5.084 4.350 0.000 0.000 0.291 80 T C -1.027 173.515 174.700 -0.263 0.000 1.028 80 T CA -0.698 61.299 62.100 -0.171 0.000 0.995 80 T CB 1.451 70.265 68.868 -0.090 0.000 1.051 80 T HN 1.077 nan 8.240 nan 0.000 0.470 81 V N 1.762 121.406 119.914 -0.449 0.000 2.482 81 V HA 0.712 4.832 4.120 0.000 0.000 0.295 81 V C 0.779 176.656 176.094 -0.362 0.000 1.026 81 V CA -0.814 61.217 62.300 -0.447 0.000 0.856 81 V CB 1.598 32.935 31.823 -0.809 0.000 1.001 81 V HN 1.278 nan 8.190 nan 0.000 0.424 82 G N 2.827 111.460 108.800 -0.278 0.000 2.370 82 G HA2 0.482 4.442 3.960 0.000 0.000 0.272 82 G HA3 0.482 4.442 3.960 0.000 0.000 0.272 82 G C 0.382 175.167 174.900 -0.192 0.000 1.208 82 G CA -0.098 44.833 45.100 -0.282 0.000 0.856 82 G HN 0.524 nan 8.290 nan 0.000 0.500 83 V N 2.582 122.395 119.914 -0.169 0.000 2.870 83 V HA 0.392 4.513 4.120 0.000 0.000 0.232 83 V C 1.775 177.897 176.094 0.046 0.000 1.161 83 V CA 1.260 63.561 62.300 0.002 0.000 1.204 83 V CB -1.284 30.653 31.823 0.190 0.000 1.003 83 V HN 1.155 nan 8.190 nan 0.000 0.499 84 K N 0.566 121.027 120.400 0.101 0.000 5.387 84 K HA -0.174 4.146 4.320 0.000 0.000 0.360 84 K C -0.068 176.589 176.600 0.096 0.000 0.847 84 K CA 1.166 57.518 56.287 0.108 0.000 1.065 84 K CB -2.701 nan 32.500 nan 0.000 1.922 84 K HN 1.050 nan 8.250 nan 0.000 0.376 85 D N 0.159 120.624 120.400 0.109 0.000 2.619 85 D HA 0.560 5.200 4.640 0.000 0.000 0.224 85 D C 0.881 177.218 176.300 0.062 0.000 1.133 85 D CA 0.766 54.812 54.000 0.077 0.000 1.017 85 D CB -0.651 nan 40.800 nan 0.000 1.077 85 D HN 1.832 nan 8.370 nan 0.000 0.503 86 Y N -1.326 119.012 120.300 0.063 0.000 2.432 86 Y HA 0.667 5.217 4.550 0.000 0.000 0.252 86 Y C 1.509 177.438 175.900 0.048 0.000 1.097 86 Y CA 0.364 58.498 58.100 0.056 0.000 1.250 86 Y CB 0.653 nan 38.460 nan 0.000 1.245 86 Y HN 0.705 nan 8.280 nan 0.000 0.522 87 G N -0.717 108.112 108.800 0.047 0.000 3.356 87 G HA2 0.435 4.395 3.960 0.000 0.000 0.178 87 G HA3 0.435 4.395 3.960 0.000 0.000 0.178 87 G C 1.053 175.971 174.900 0.030 0.000 1.130 87 G CA 0.835 45.958 45.100 0.039 0.000 0.800 87 G HN 0.499 nan 8.290 nan 0.000 0.669 88 E N -1.808 118.408 120.200 0.027 0.000 2.265 88 E HA 0.382 4.732 4.350 0.000 0.000 0.196 88 E C 1.683 178.294 176.600 0.019 0.000 0.996 88 E CA 2.514 58.926 56.400 0.020 0.000 0.832 88 E CB -0.815 nan 29.700 nan 0.000 0.756 88 E HN 2.357 nan 8.360 nan 0.000 0.491 89 L N -3.511 117.725 121.223 0.023 0.000 3.152 89 L HA 0.389 4.729 4.340 0.000 0.000 0.435 89 L C 0.711 177.593 176.870 0.019 0.000 0.881 89 L CA 1.380 56.235 54.840 0.025 0.000 1.689 89 L CB -2.786 nan 42.059 nan 0.000 1.626 89 L HN 1.436 nan 8.230 nan 0.000 0.449 90 E N 1.348 121.554 120.200 0.010 0.000 3.131 90 E HA 0.287 4.637 4.350 0.000 0.000 0.258 90 E C 1.331 177.928 176.600 -0.005 0.000 0.901 90 E CA 0.791 57.188 56.400 -0.005 0.000 0.964 90 E CB -0.370 29.316 29.700 -0.023 0.000 0.903 90 E HN 2.091 nan 8.360 nan 0.000 0.537 91 N N 0.073 118.770 118.700 -0.005 0.000 2.936 91 N HA -0.297 4.443 4.740 0.000 0.000 0.236 91 N C 1.663 177.193 175.510 0.032 0.000 0.930 91 N CA 2.322 55.372 53.050 -0.001 0.000 0.966 91 N CB -1.978 36.495 38.487 -0.024 0.000 1.090 91 N HN 1.132 nan 8.380 nan 0.000 0.592 92 K N 0.602 121.024 120.400 0.037 0.000 2.052 92 K HA 0.041 4.361 4.320 0.000 0.000 0.215 92 K C 2.385 178.991 176.600 0.009 0.000 1.053 92 K CA 2.784 59.096 56.287 0.043 0.000 0.934 92 K CB -1.312 31.206 32.500 0.030 0.000 0.717 92 K HN 0.575 nan 8.250 nan 0.000 0.450 93 A N 0.096 122.909 122.820 -0.012 0.000 1.978 93 A HA 0.059 4.379 4.320 0.000 0.000 0.220 93 A C 2.416 179.957 177.584 -0.073 0.000 1.170 93 A CA 1.795 53.807 52.037 -0.042 0.000 0.636 93 A CB -0.368 18.610 19.000 -0.037 0.000 0.810 93 A HN 0.515 nan 8.150 nan 0.000 0.448 94 L N -0.169 121.024 121.223 -0.049 0.000 2.044 94 L HA 0.041 4.381 4.340 0.000 0.000 0.205 94 L C 2.541 179.398 176.870 -0.021 0.000 1.075 94 L CA 2.128 56.929 54.840 -0.064 0.000 0.747 94 L CB -1.281 40.744 42.059 -0.057 0.000 0.903 94 L HN 0.324 nan 8.230 nan 0.000 0.435 95 G N -1.070 107.763 108.800 0.055 0.000 2.469 95 G HA2 -0.322 3.638 3.960 0.000 0.000 0.219 95 G HA3 -0.322 3.638 3.960 0.000 0.000 0.219 95 G C 1.292 176.105 174.900 -0.144 0.000 1.150 95 G CA 0.987 46.057 45.100 -0.050 0.000 0.763 95 G HN 0.396 nan 8.290 nan 0.000 0.561 96 D N -0.237 120.103 120.400 -0.100 0.000 2.182 96 D HA -0.070 4.570 4.640 0.000 0.000 0.201 96 D C 2.364 178.541 176.300 -0.205 0.000 0.986 96 D CA 0.474 54.403 54.000 -0.120 0.000 0.847 96 D CB -0.211 40.540 40.800 -0.082 0.000 0.942 96 D HN 0.324 nan 8.370 nan 0.000 0.467 97 R N -0.545 119.756 120.500 -0.332 0.000 2.096 97 R HA -0.137 4.203 4.340 0.000 0.000 0.235 97 R C 0.747 176.600 176.300 -0.745 0.000 1.127 97 R CA 1.047 56.806 56.100 -0.568 0.000 0.968 97 R CB -0.000 29.826 30.300 -0.789 0.000 0.861 97 R HN 0.234 nan 8.270 nan 0.000 0.440 98 Y N -0.349 119.730 120.300 -0.368 0.000 2.681 98 Y HA 0.172 4.722 4.550 0.000 0.000 0.267 98 Y C 0.323 176.094 175.900 -0.214 0.000 1.166 98 Y CA -0.438 57.378 58.100 -0.473 0.000 1.209 98 Y CB 0.811 38.496 38.460 -1.292 0.000 1.161 98 Y HN -0.247 nan 8.280 nan 0.000 0.534 99 K N -0.663 119.696 120.400 -0.068 0.000 3.020 99 K HA -0.129 4.191 4.320 0.000 0.000 0.266 99 K C -0.015 176.591 176.600 0.009 0.000 1.067 99 K CA 0.776 57.059 56.287 -0.006 0.000 0.780 99 K CB -2.827 29.703 32.500 0.050 0.000 1.220 99 K HN 0.398 nan 8.250 nan 0.000 0.483 100 V N -2.427 117.475 119.914 -0.020 0.000 3.103 100 V HA 0.941 5.061 4.120 0.000 0.000 0.318 100 V C -0.266 175.773 176.094 -0.092 0.000 1.114 100 V CA -0.727 61.567 62.300 -0.011 0.000 1.020 100 V CB 2.474 34.371 31.823 0.122 0.000 1.085 100 V HN 0.392 nan 8.190 nan 0.000 0.446 101 D N -1.229 118.966 120.400 -0.343 0.000 2.859 101 D HA 0.516 5.156 4.640 0.000 0.000 0.223 101 D C 0.385 175.971 176.300 -1.190 0.000 1.218 101 D CA 0.081 53.794 54.000 -0.478 0.000 0.850 101 D CB 1.252 41.867 40.800 -0.308 0.000 1.656 101 D HN 0.630 nan 8.370 nan 0.000 0.484 102 D N 0.517 120.369 120.400 -0.913 0.000 2.265 102 D HA -0.199 4.441 4.640 0.000 0.000 0.208 102 D C 1.423 177.396 176.300 -0.546 0.000 0.977 102 D CA 1.324 54.825 54.000 -0.831 0.000 0.871 102 D CB -0.376 nan 40.800 nan 0.000 0.925 102 D HN 0.342 nan 8.370 nan 0.000 0.485 103 K N -0.480 119.666 120.400 -0.423 0.000 2.305 103 K HA 0.102 4.422 4.320 0.000 0.000 0.199 103 K C 0.576 177.065 176.600 -0.186 0.000 1.047 103 K CA 0.492 56.647 56.287 -0.220 0.000 0.976 103 K CB 0.557 32.966 32.500 -0.151 0.000 0.765 103 K HN 0.161 nan 8.250 nan 0.000 0.474 104 N N 0.232 118.781 118.700 -0.252 0.000 2.622 104 N HA 0.105 4.845 4.740 0.000 0.000 0.304 104 N C -1.279 174.223 175.510 -0.014 0.000 1.844 104 N CA -0.233 52.746 53.050 -0.117 0.000 0.886 104 N CB 0.424 38.864 38.487 -0.077 0.000 1.366 104 N HN -0.091 nan 8.380 nan 0.000 0.491 105 F N 2.109 122.055 119.950 -0.007 0.000 2.459 105 F HA 0.309 4.836 4.527 0.000 0.000 0.346 105 F C -1.097 174.683 175.800 -0.034 0.000 1.128 105 F CA -2.094 55.902 58.000 -0.006 0.000 1.268 105 F CB -0.298 38.702 39.000 -0.000 0.000 1.161 105 F HN 0.080 nan 8.300 nan 0.000 0.583 106 P HA 0.190 nan 4.420 nan 0.000 0.275 106 P C -1.160 176.217 177.300 0.129 0.000 1.227 106 P CA -0.321 62.851 63.100 0.119 0.000 0.781 106 P CB 1.096 32.784 31.700 -0.019 0.000 0.906 107 S N 0.892 116.720 115.700 0.214 0.000 2.473 107 S HA 0.504 4.974 4.470 0.000 0.000 0.307 107 S C -0.017 174.673 174.600 0.150 0.000 1.094 107 S CA -0.557 57.728 58.200 0.143 0.000 1.070 107 S CB 0.859 64.248 63.200 0.315 0.000 1.019 107 S HN 0.272 nan 8.310 nan 0.000 0.480 108 I N 3.530 124.039 120.570 -0.102 0.000 2.378 108 I HA 0.581 4.752 4.170 0.000 0.000 0.291 108 I C -0.915 175.117 176.117 -0.142 0.000 0.992 108 I CA -0.811 60.485 61.300 -0.008 0.000 1.154 108 I CB 0.223 38.174 38.000 -0.081 0.000 1.315 108 I HN 0.650 nan 8.210 nan 0.000 0.448 109 F N 4.754 124.866 119.950 0.270 0.000 2.520 109 F HA 0.714 5.241 4.527 0.000 0.000 0.322 109 F C -0.141 175.797 175.800 0.230 0.000 1.103 109 F CA -0.713 57.388 58.000 0.168 0.000 0.926 109 F CB 1.892 40.865 39.000 -0.046 0.000 1.154 109 F HN 0.406 nan 8.300 nan 0.000 0.453 110 L N 4.026 125.399 121.223 0.251 0.000 2.333 110 L HA 0.654 4.994 4.340 0.000 0.000 0.280 110 L C -1.717 175.154 176.870 0.001 0.000 1.004 110 L CA -0.363 54.546 54.840 0.115 0.000 0.820 110 L CB 0.790 42.712 42.059 -0.227 0.000 1.247 110 L HN 0.453 nan 8.230 nan 0.000 0.416 111 F N 3.303 123.413 119.950 0.266 0.000 2.480 111 F HA 0.461 4.988 4.527 0.000 0.000 0.329 111 F C 0.397 176.321 175.800 0.207 0.000 1.091 111 F CA -0.667 57.486 58.000 0.254 0.000 0.972 111 F CB 1.796 40.900 39.000 0.174 0.000 1.150 111 F HN 0.318 nan 8.300 nan 0.000 0.467 112 K N 1.791 122.390 120.400 0.331 0.000 3.147 112 K HA 0.429 4.749 4.320 0.000 0.000 0.214 112 K C 0.650 177.245 176.600 -0.008 0.000 1.221 112 K CA 0.110 56.465 56.287 0.114 0.000 1.117 112 K CB 0.612 33.214 32.500 0.170 0.000 1.278 112 K HN 1.004 nan 8.250 nan 0.000 0.479 113 G N 1.572 110.390 108.800 0.031 0.000 2.213 113 G HA2 -0.269 3.691 3.960 0.000 0.000 0.226 113 G HA3 -0.269 3.691 3.960 0.000 0.000 0.226 113 G C -0.163 174.756 174.900 0.033 0.000 0.992 113 G CA 0.118 45.203 45.100 -0.025 0.000 0.632 113 G HN 0.597 nan 8.290 nan 0.000 0.511 114 N N -1.470 117.297 118.700 0.112 0.000 2.902 114 N HA 0.724 5.464 4.740 0.000 0.000 0.268 114 N C 0.689 176.334 175.510 0.225 0.000 1.450 114 N CA 0.156 53.274 53.050 0.113 0.000 0.819 114 N CB 0.809 39.364 38.487 0.113 0.000 1.540 114 N HN 0.736 nan 8.380 nan 0.000 0.545 115 A N -1.186 121.754 122.820 0.200 0.000 2.238 115 A HA 0.087 4.407 4.320 0.000 0.000 0.208 115 A C 0.335 178.335 177.584 0.695 0.000 1.177 115 A CA 0.595 52.805 52.037 0.288 0.000 0.804 115 A CB -0.573 18.604 19.000 0.294 0.000 0.823 115 A HN 0.683 nan 8.150 nan 0.000 0.482 116 D N -0.827 119.920 120.400 0.578 0.000 2.470 116 D HA 0.159 4.799 4.640 0.000 0.000 0.238 116 D C 0.689 177.284 176.300 0.491 0.000 1.054 116 D CA 0.893 55.210 54.000 0.528 0.000 0.896 116 D CB 0.273 41.247 40.800 0.290 0.000 1.118 116 D HN 0.514 nan 8.370 nan 0.000 0.497 117 E N 1.280 121.731 120.200 0.419 0.000 1.993 117 E HA 0.436 4.786 4.350 0.000 0.000 0.271 117 E C -0.871 175.897 176.600 0.280 0.000 1.008 117 E CA -0.683 55.860 56.400 0.238 0.000 0.814 117 E CB -0.371 29.425 29.700 0.160 0.000 1.098 117 E HN 0.356 nan 8.360 nan 0.000 0.407 118 Y N -1.316 119.039 120.300 0.092 0.000 2.562 118 Y HA 0.753 5.303 4.550 0.000 0.000 0.345 118 Y C -0.895 174.993 175.900 -0.019 0.000 1.045 118 Y CA -1.740 56.291 58.100 -0.116 0.000 1.028 118 Y CB 1.150 39.234 38.460 -0.626 0.000 1.297 118 Y HN 0.370 nan 8.280 nan 0.000 0.463 119 V N 3.098 123.091 119.914 0.132 0.000 2.604 119 V HA 0.439 4.559 4.120 0.000 0.000 0.305 119 V C -1.065 175.204 176.094 0.291 0.000 1.043 119 V CA -0.536 61.853 62.300 0.148 0.000 0.888 119 V CB 1.791 33.670 31.823 0.093 0.000 0.995 119 V HN 0.974 nan 8.190 nan 0.000 0.429 120 Q N 3.820 123.701 119.800 0.134 0.000 2.256 120 Q HA 0.453 4.793 4.340 0.000 0.000 0.257 120 Q C -0.905 174.933 176.000 -0.269 0.000 0.936 120 Q CA -0.887 54.779 55.803 -0.228 0.000 0.903 120 Q CB 1.813 30.262 28.738 -0.482 0.000 1.263 120 Q HN 0.788 nan 8.270 nan 0.000 0.440 121 L N 6.427 127.271 121.223 -0.632 0.000 2.418 121 L HA 0.291 4.631 4.340 0.000 0.000 0.274 121 L C -2.311 174.241 176.870 -0.529 0.000 1.135 121 L CA -0.946 53.349 54.840 -0.907 0.000 0.870 121 L CB 0.414 41.689 42.059 -1.306 0.000 1.154 121 L HN 0.513 nan 8.230 nan 0.000 0.462 122 P HA 0.000 nan 4.420 nan 0.000 0.261 122 P C 0.468 177.522 177.300 -0.409 0.000 1.173 122 P CA 0.411 63.296 63.100 -0.359 0.000 0.760 122 P CB 0.466 31.910 31.700 -0.427 0.000 0.783 123 S N 2.094 117.651 115.700 -0.238 0.000 2.442 123 S HA -0.232 4.238 4.470 0.000 0.000 0.236 123 S C 1.588 176.103 174.600 -0.143 0.000 1.007 123 S CA 1.070 59.168 58.200 -0.170 0.000 0.965 123 S CB -1.143 62.007 63.200 -0.084 0.000 0.773 123 S HN 0.684 nan 8.310 nan 0.000 0.504 124 H N 0.621 119.643 119.070 -0.081 0.000 2.559 124 H HA 0.215 4.771 4.556 0.000 0.000 0.273 124 H C -0.001 175.285 175.328 -0.070 0.000 1.000 124 H CA 0.342 56.352 56.048 -0.064 0.000 1.195 124 H CB -0.548 29.184 29.762 -0.051 0.000 1.368 124 H HN 0.273 nan 8.280 nan 0.000 0.592 125 V N 2.629 122.280 119.914 -0.439 0.000 2.385 125 V HA 0.209 4.329 4.120 0.000 0.000 0.269 125 V C 0.380 176.360 176.094 -0.191 0.000 1.043 125 V CA 0.153 62.262 62.300 -0.318 0.000 0.906 125 V CB 0.560 32.123 31.823 -0.433 0.000 0.995 125 V HN 0.587 nan 8.190 nan 0.000 0.467 126 D N 3.971 124.306 120.400 -0.109 0.000 2.455 126 D HA 0.336 4.976 4.640 0.000 0.000 0.241 126 D C 0.082 176.325 176.300 -0.095 0.000 1.138 126 D CA -0.206 53.747 54.000 -0.077 0.000 0.877 126 D CB 1.104 41.881 40.800 -0.038 0.000 1.187 126 D HN 0.483 nan 8.370 nan 0.000 0.451 127 V N 3.102 122.969 119.914 -0.078 0.000 2.352 127 V HA 0.485 4.605 4.120 0.000 0.000 0.253 127 V C 0.895 176.970 176.094 -0.033 0.000 1.083 127 V CA 0.237 62.495 62.300 -0.070 0.000 0.993 127 V CB -0.287 31.512 31.823 -0.040 0.000 1.111 127 V HN 0.893 nan 8.190 nan 0.000 0.490 128 T N 1.213 115.739 114.554 -0.047 0.000 2.906 128 T HA 0.486 4.836 4.350 0.000 0.000 0.295 128 T C 0.900 175.586 174.700 -0.024 0.000 1.061 128 T CA -0.708 61.380 62.100 -0.019 0.000 1.000 128 T CB 1.851 70.711 68.868 -0.013 0.000 1.103 128 T HN 0.191 nan 8.240 nan 0.000 0.486 129 L N 1.345 122.576 121.223 0.014 0.000 2.058 129 L HA -0.268 4.072 4.340 0.000 0.000 0.226 129 L C 2.767 179.654 176.870 0.028 0.000 1.089 129 L CA 3.134 58.002 54.840 0.046 0.000 0.799 129 L CB -1.105 40.987 42.059 0.055 0.000 0.900 129 L HN 1.087 nan 8.230 nan 0.000 0.442 130 D N -1.136 119.271 120.400 0.013 0.000 2.097 130 D HA -0.242 4.398 4.640 0.000 0.000 0.195 130 D C 1.698 177.999 176.300 0.001 0.000 0.989 130 D CA 1.555 55.563 54.000 0.013 0.000 0.827 130 D CB -0.613 nan 40.800 nan 0.000 0.966 130 D HN 0.466 nan 8.370 nan 0.000 0.456 131 N N -0.167 118.516 118.700 -0.028 0.000 2.188 131 N HA -0.026 4.715 4.740 0.000 0.000 0.184 131 N C 1.738 177.211 175.510 -0.061 0.000 1.018 131 N CA 0.456 53.478 53.050 -0.046 0.000 0.858 131 N CB -0.254 38.182 38.487 -0.086 0.000 0.989 131 N HN 0.257 nan 8.380 nan 0.000 0.426 132 L N 1.596 122.736 121.223 -0.139 0.000 1.994 132 L HA -0.097 4.243 4.340 0.000 0.000 0.208 132 L C 1.980 178.744 176.870 -0.176 0.000 1.071 132 L CA 1.620 56.258 54.840 -0.336 0.000 0.745 132 L CB -0.924 40.663 42.059 -0.785 0.000 0.892 132 L HN 0.127 nan 8.230 nan 0.000 0.431 133 K N -0.817 119.592 120.400 0.016 0.000 2.063 133 K HA -0.155 4.165 4.320 0.000 0.000 0.208 133 K C 2.084 178.730 176.600 0.076 0.000 1.048 133 K CA 1.443 57.805 56.287 0.126 0.000 0.928 133 K CB -0.338 32.217 32.500 0.091 0.000 0.713 133 K HN 0.321 nan 8.250 nan 0.000 0.442 134 A N 1.020 123.879 122.820 0.065 0.000 1.933 134 A HA -0.190 4.130 4.320 0.000 0.000 0.218 134 A C 1.967 179.618 177.584 0.111 0.000 1.175 134 A CA 1.197 53.279 52.037 0.076 0.000 0.628 134 A CB -0.648 18.389 19.000 0.062 0.000 0.814 134 A HN 0.358 nan 8.150 nan 0.000 0.444 135 F N 0.784 120.694 119.950 -0.066 0.000 2.102 135 F HA -0.132 4.395 4.527 0.000 0.000 0.298 135 F C 2.242 178.015 175.800 -0.045 0.000 1.105 135 F CA 1.683 59.638 58.000 -0.076 0.000 1.239 135 F CB -0.627 38.293 39.000 -0.133 0.000 0.991 135 F HN 0.036 nan 8.300 nan 0.000 0.474 136 V N 0.208 120.054 119.914 -0.113 0.000 2.237 136 V HA -0.281 3.839 4.120 0.000 0.000 0.245 136 V C 2.742 178.746 176.094 -0.151 0.000 1.046 136 V CA 2.204 64.395 62.300 -0.182 0.000 1.007 136 V CB -1.252 30.562 31.823 -0.015 0.000 0.638 136 V HN 0.564 nan 8.190 nan 0.000 0.445 137 S N 0.784 116.460 115.700 -0.040 0.000 2.423 137 S HA -0.083 4.387 4.470 0.000 0.000 0.231 137 S C 2.045 176.629 174.600 -0.027 0.000 1.014 137 S CA 1.269 59.467 58.200 -0.003 0.000 0.965 137 S CB -0.378 62.893 63.200 0.119 0.000 0.785 137 S HN 0.551 nan 8.310 nan 0.000 0.495 138 A N 2.684 125.490 122.820 -0.023 0.000 1.908 138 A HA -0.064 4.256 4.320 0.000 0.000 0.218 138 A C 2.073 179.620 177.584 -0.062 0.000 1.181 138 A CA 1.615 53.643 52.037 -0.015 0.000 0.627 138 A CB -0.574 nan 19.000 nan 0.000 0.818 138 A HN 0.695 nan 8.150 nan 0.000 0.445 139 N N -0.900 117.713 118.700 -0.145 0.000 2.205 139 N HA 0.050 4.790 4.740 0.000 0.000 0.201 139 N C 0.065 175.454 175.510 -0.201 0.000 1.128 139 N CA 0.949 53.897 53.050 -0.169 0.000 0.867 139 N CB 0.792 39.118 38.487 -0.268 0.000 0.996 139 N HN 0.669 nan 8.380 nan 0.000 0.503 140 T N -2.464 111.932 114.554 -0.263 0.000 2.865 140 T HA 0.399 4.749 4.350 0.000 0.000 0.294 140 T C -2.486 172.057 174.700 -0.262 0.000 1.119 140 T CA -1.315 60.526 62.100 -0.432 0.000 1.007 140 T CB 2.609 70.945 68.868 -0.886 0.000 1.225 140 T HN -0.281 nan 8.240 nan 0.000 0.515 141 P HA 0.243 nan 4.420 nan 0.000 0.245 141 P C 0.309 177.567 177.300 -0.071 0.000 1.212 141 P CA -0.071 62.976 63.100 -0.088 0.000 0.774 141 P CB -0.048 31.654 31.700 0.004 0.000 0.999 142 L N -0.197 120.927 121.223 -0.165 0.000 2.439 142 L HA 0.171 4.512 4.340 0.000 0.000 0.269 142 L C 0.135 177.042 176.870 0.062 0.000 1.179 142 L CA -0.313 54.491 54.840 -0.060 0.000 0.828 142 L CB -0.180 41.806 42.059 -0.122 0.000 1.106 142 L HN -0.062 nan 8.230 nan 0.000 0.467 143 Y N 2.485 122.749 120.300 -0.060 0.000 2.322 143 Y HA 0.385 4.935 4.550 0.000 0.000 0.324 143 Y C -0.434 175.449 175.900 -0.028 0.000 1.027 143 Y CA -0.792 57.285 58.100 -0.037 0.000 1.179 143 Y CB 1.275 39.721 38.460 -0.024 0.000 1.136 143 Y HN 0.262 nan 8.280 nan 0.000 0.449 144 I N 5.744 126.092 120.570 -0.371 0.000 2.363 144 I HA 0.421 4.591 4.170 0.000 0.000 0.292 144 I C 1.159 176.845 176.117 -0.717 0.000 1.075 144 I CA -0.165 60.903 61.300 -0.387 0.000 1.333 144 I CB 0.035 37.913 38.000 -0.203 0.000 1.415 144 I HN 0.929 nan 8.210 nan 0.000 0.502 145 G N 5.441 113.878 108.800 -0.606 0.000 2.653 145 G HA2 0.292 4.252 3.960 0.000 0.000 0.265 145 G HA3 0.292 4.252 3.960 0.000 0.000 0.265 145 G C 0.323 175.076 174.900 -0.245 0.000 1.237 145 G CA -0.676 44.105 45.100 -0.531 0.000 0.946 145 G HN 0.649 nan 8.290 nan 0.000 0.522 146 R N 0.140 120.581 120.500 -0.100 0.000 2.590 146 R HA 0.034 4.374 4.340 0.000 0.000 0.274 146 R C -0.308 175.975 176.300 -0.027 0.000 1.061 146 R CA -0.416 55.664 56.100 -0.033 0.000 1.081 146 R CB 0.586 30.900 30.300 0.024 0.000 0.984 146 R HN 0.560 nan 8.270 nan 0.000 0.448 147 D N 0.623 121.009 120.400 -0.024 0.000 2.581 147 D HA 0.003 4.643 4.640 0.000 0.000 0.238 147 D C 1.209 177.509 176.300 -0.001 0.000 1.145 147 D CA 2.071 56.060 54.000 -0.018 0.000 0.866 147 D CB 0.288 41.079 40.800 -0.015 0.000 1.151 147 D HN 0.700 nan 8.370 nan 0.000 0.500 148 G N 2.540 111.342 108.800 0.002 0.000 2.259 148 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 148 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 148 G C 0.635 175.580 174.900 0.075 0.000 1.001 148 G CA 0.069 45.179 45.100 0.017 0.000 0.627 148 G HN 0.705 nan 8.290 nan 0.000 0.501 149 C N 1.428 120.783 119.300 0.092 0.000 2.605 149 C HA 0.633 5.093 4.460 0.000 0.000 0.404 149 C C 0.892 175.965 174.990 0.139 0.000 1.284 149 C CA -0.025 59.115 59.018 0.202 0.000 2.199 149 C CB -0.076 27.758 27.740 0.157 0.000 2.647 149 C HN 0.378 nan 8.230 nan 0.000 0.604 150 I N 3.657 124.297 120.570 0.117 0.000 2.390 150 I HA 0.272 4.442 4.170 0.000 0.000 0.283 150 I C 1.245 177.347 176.117 -0.025 0.000 1.016 150 I CA -0.268 60.959 61.300 -0.120 0.000 1.151 150 I CB 1.067 38.719 38.000 -0.580 0.000 1.293 150 I HN 0.938 nan 8.210 nan 0.000 0.458 151 K N 4.671 125.092 120.400 0.035 0.000 2.059 151 K HA -0.230 4.090 4.320 0.000 0.000 0.212 151 K C 1.550 178.196 176.600 0.076 0.000 1.050 151 K CA 2.100 58.435 56.287 0.080 0.000 0.927 151 K CB -0.641 31.910 32.500 0.084 0.000 0.714 151 K HN 0.680 nan 8.250 nan 0.000 0.447 152 E N -0.788 119.463 120.200 0.085 0.000 2.268 152 E HA 0.055 4.405 4.350 0.000 0.000 0.195 152 E C 1.714 178.398 176.600 0.140 0.000 0.995 152 E CA 0.886 57.350 56.400 0.108 0.000 0.836 152 E CB -0.225 29.546 29.700 0.119 0.000 0.763 152 E HN 0.633 nan 8.360 nan 0.000 0.491 153 F N 0.835 120.650 119.950 -0.224 0.000 2.179 153 F HA 0.011 4.538 4.527 0.000 0.000 0.292 153 F C 1.851 177.536 175.800 -0.191 0.000 1.089 153 F CA 0.669 58.474 58.000 -0.326 0.000 1.295 153 F CB -0.603 37.893 39.000 -0.841 0.000 1.041 153 F HN -0.013 nan 8.300 nan 0.000 0.487 154 N N 0.602 119.350 118.700 0.079 0.000 2.104 154 N HA -0.179 4.561 4.740 0.000 0.000 0.190 154 N C 1.691 177.224 175.510 0.039 0.000 1.024 154 N CA 1.351 54.451 53.050 0.083 0.000 0.853 154 N CB -0.550 38.009 38.487 0.120 0.000 1.008 154 N HN 0.349 nan 8.380 nan 0.000 0.424 155 E N -0.208 120.012 120.200 0.035 0.000 2.187 155 E HA -0.150 4.200 4.350 0.000 0.000 0.199 155 E C 1.384 177.987 176.600 0.006 0.000 1.004 155 E CA 1.326 57.736 56.400 0.016 0.000 0.813 155 E CB 0.098 29.807 29.700 0.016 0.000 0.736 155 E HN 0.397 nan 8.360 nan 0.000 0.468 156 V N -2.551 117.360 119.914 -0.005 0.000 3.528 156 V HA 0.200 4.320 4.120 0.000 0.000 0.294 156 V C 1.087 177.203 176.094 0.037 0.000 1.404 156 V CA 0.111 62.410 62.300 -0.001 0.000 1.065 156 V CB 0.074 31.876 31.823 -0.035 0.000 0.904 156 V HN 0.092 nan 8.190 nan 0.000 0.435 157 L N 0.557 121.797 121.223 0.029 0.000 2.857 157 L HA 0.467 4.808 4.340 0.000 0.000 0.249 157 L C 1.383 178.289 176.870 0.059 0.000 1.172 157 L CA 0.195 55.069 54.840 0.057 0.000 0.980 157 L CB -0.196 41.810 42.059 -0.088 0.000 1.299 157 L HN 0.333 nan 8.230 nan 0.000 0.535 158 K N 0.531 120.961 120.400 0.051 0.000 2.451 158 K HA 0.022 4.342 4.320 0.000 0.000 0.280 158 K C 0.953 177.616 176.600 0.106 0.000 1.020 158 K CA 0.507 56.830 56.287 0.061 0.000 1.008 158 K CB -0.174 32.348 32.500 0.037 0.000 0.917 158 K HN 0.369 nan 8.250 nan 0.000 0.478 159 N N 0.091 118.869 118.700 0.130 0.000 2.828 159 N HA -0.262 4.478 4.740 0.000 0.000 0.248 159 N C 0.605 176.225 175.510 0.184 0.000 1.044 159 N CA 1.523 54.655 53.050 0.137 0.000 0.851 159 N CB -2.173 36.361 38.487 0.079 0.000 1.136 159 N HN 0.891 nan 8.380 nan 0.000 0.572 160 Y N 0.392 120.774 120.300 0.137 0.000 2.096 160 Y HA -0.337 4.213 4.550 0.000 0.000 0.276 160 Y C 2.150 178.187 175.900 0.229 0.000 1.209 160 Y CA 3.211 61.431 58.100 0.201 0.000 1.137 160 Y CB -0.802 37.849 38.460 0.319 0.000 0.956 160 Y HN 0.314 nan 8.280 nan 0.000 0.506 161 A N -0.318 122.722 122.820 0.366 0.000 2.070 161 A HA -0.173 4.147 4.320 0.000 0.000 0.220 161 A C 1.868 179.519 177.584 0.111 0.000 1.159 161 A CA 1.782 54.002 52.037 0.305 0.000 0.656 161 A CB -0.484 18.832 19.000 0.526 0.000 0.800 161 A HN 0.627 nan 8.150 nan 0.000 0.453 162 N N -0.340 118.396 118.700 0.062 0.000 2.356 162 N HA 0.137 4.877 4.740 0.000 0.000 0.178 162 N C 0.798 176.296 175.510 -0.021 0.000 1.075 162 N CA 0.322 53.380 53.050 0.014 0.000 0.889 162 N CB 0.001 38.495 38.487 0.012 0.000 0.999 162 N HN 0.753 nan 8.380 nan 0.000 0.464 163 I N -0.259 120.275 120.570 -0.060 0.000 2.823 163 I HA 0.356 4.526 4.170 0.000 0.000 0.290 163 I C -2.314 173.757 176.117 -0.076 0.000 1.091 163 I CA -1.719 59.539 61.300 -0.069 0.000 1.365 163 I CB 0.239 38.194 38.000 -0.076 0.000 1.427 163 I HN -0.281 nan 8.210 nan 0.000 0.583 164 P HA 0.022 nan 4.420 nan 0.000 0.267 164 P C -0.169 177.130 177.300 -0.002 0.000 1.201 164 P CA 0.167 63.256 63.100 -0.019 0.000 0.775 164 P CB 0.441 32.136 31.700 -0.009 0.000 0.854 165 D N 1.785 122.210 120.400 0.042 0.000 2.133 165 D HA -0.234 4.406 4.640 0.000 0.000 0.192 165 D C 1.941 178.302 176.300 0.102 0.000 1.001 165 D CA 2.342 56.433 54.000 0.153 0.000 0.844 165 D CB -0.734 40.152 40.800 0.143 0.000 0.944 165 D HN 0.386 nan 8.370 nan 0.000 0.447 166 A N 0.828 123.676 122.820 0.046 0.000 1.933 166 A HA -0.217 4.103 4.320 0.000 0.000 0.218 166 A C 2.011 179.589 177.584 -0.011 0.000 1.175 166 A CA 1.686 53.731 52.037 0.014 0.000 0.628 166 A CB -0.477 18.530 19.000 0.011 0.000 0.814 166 A HN 0.329 nan 8.150 nan 0.000 0.444 167 E N -0.332 119.858 120.200 -0.016 0.000 2.152 167 E HA -0.178 4.172 4.350 0.000 0.000 0.192 167 E C 2.161 178.745 176.600 -0.027 0.000 0.983 167 E CA 1.009 57.396 56.400 -0.021 0.000 0.818 167 E CB -0.262 29.426 29.700 -0.021 0.000 0.758 167 E HN 0.738 nan 8.360 nan 0.000 0.467 168 Q N 0.828 120.584 119.800 -0.075 0.000 2.046 168 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 168 Q C 2.439 178.414 176.000 -0.040 0.000 0.975 168 Q CA 0.954 56.703 55.803 -0.089 0.000 0.836 168 Q CB -0.141 28.485 28.738 -0.185 0.000 0.896 168 Q HN 0.301 nan 8.270 nan 0.000 0.428 169 L N 0.388 121.508 121.223 -0.172 0.000 2.042 169 L HA -0.257 4.083 4.340 0.000 0.000 0.210 169 L C 2.636 179.463 176.870 -0.073 0.000 1.076 169 L CA 1.300 56.028 54.840 -0.186 0.000 0.749 169 L CB -0.323 41.631 42.059 -0.175 0.000 0.893 169 L HN 0.015 nan 8.230 nan 0.000 0.432 170 K N -0.216 120.162 120.400 -0.038 0.000 2.155 170 K HA -0.007 4.314 4.320 0.000 0.000 0.203 170 K C 1.932 178.526 176.600 -0.010 0.000 1.052 170 K CA 0.716 56.990 56.287 -0.022 0.000 0.948 170 K CB -0.406 32.084 32.500 -0.017 0.000 0.728 170 K HN 0.301 nan 8.250 nan 0.000 0.448 171 L N -0.051 121.190 121.223 0.030 0.000 2.056 171 L HA -0.071 4.269 4.340 0.000 0.000 0.207 171 L C 2.306 179.191 176.870 0.025 0.000 1.078 171 L CA 1.356 56.229 54.840 0.055 0.000 0.749 171 L CB -0.454 41.717 42.059 0.187 0.000 0.901 171 L HN 0.208 nan 8.230 nan 0.000 0.433 172 I N 0.331 120.932 120.570 0.053 0.000 2.118 172 I HA -0.339 3.831 4.170 0.000 0.000 0.241 172 I C 3.121 179.218 176.117 -0.033 0.000 1.070 172 I CA 1.923 63.227 61.300 0.007 0.000 1.327 172 I CB -0.666 37.327 38.000 -0.011 0.000 1.034 172 I HN 0.376 nan 8.210 nan 0.000 0.405 173 E N 1.307 121.485 120.200 -0.037 0.000 2.110 173 E HA -0.305 4.045 4.350 0.000 0.000 0.193 173 E C 2.114 178.680 176.600 -0.056 0.000 0.988 173 E CA 1.694 58.070 56.400 -0.041 0.000 0.804 173 E CB -0.628 29.052 29.700 -0.034 0.000 0.745 173 E HN 0.598 nan 8.360 nan 0.000 0.458 174 K N -0.241 120.116 120.400 -0.071 0.000 2.097 174 K HA 0.025 4.345 4.320 0.000 0.000 0.205 174 K C 2.161 178.657 176.600 -0.174 0.000 1.050 174 K CA 1.255 57.481 56.287 -0.102 0.000 0.938 174 K CB -0.176 32.266 32.500 -0.097 0.000 0.718 174 K HN 0.378 nan 8.250 nan 0.000 0.442 175 L N 0.413 121.496 121.223 -0.233 0.000 2.270 175 L HA -0.038 4.302 4.340 0.000 0.000 0.210 175 L C 2.583 179.343 176.870 -0.183 0.000 1.104 175 L CA 0.586 55.167 54.840 -0.432 0.000 0.804 175 L CB -0.323 41.379 42.059 -0.595 0.000 0.937 175 L HN 0.312 nan 8.230 nan 0.000 0.450 176 Q N 0.895 120.648 119.800 -0.078 0.000 2.020 176 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 176 Q C 2.259 178.256 176.000 -0.005 0.000 0.982 176 Q CA 2.291 58.087 55.803 -0.011 0.000 0.838 176 Q CB -0.252 28.479 28.738 -0.011 0.000 0.899 176 Q HN 0.398 nan 8.270 nan 0.000 0.423 177 A N 0.420 123.223 122.820 -0.029 0.000 1.940 177 A HA -0.232 4.088 4.320 0.000 0.000 0.219 177 A C 2.008 179.590 177.584 -0.003 0.000 1.176 177 A CA 1.794 53.821 52.037 -0.017 0.000 0.631 177 A CB -0.495 18.489 19.000 -0.026 0.000 0.814 177 A HN 0.387 nan 8.150 nan 0.000 0.446 178 K N -0.719 119.666 120.400 -0.024 0.000 2.026 178 K HA -0.233 4.087 4.320 0.000 0.000 0.208 178 K C 2.434 179.120 176.600 0.143 0.000 1.048 178 K CA 1.649 57.957 56.287 0.035 0.000 0.929 178 K CB -0.237 32.244 32.500 -0.032 0.000 0.713 178 K HN 0.745 nan 8.250 nan 0.000 0.439 179 Q N 1.132 121.057 119.800 0.207 0.000 2.096 179 Q HA -0.272 4.068 4.340 0.000 0.000 0.208 179 Q C 1.985 178.037 176.000 0.088 0.000 0.993 179 Q CA 2.577 58.498 55.803 0.197 0.000 0.862 179 Q CB -0.212 28.643 28.738 0.196 0.000 0.915 179 Q HN 0.384 nan 8.270 nan 0.000 0.416 180 E N 0.523 120.757 120.200 0.057 0.000 2.409 180 E HA -0.135 4.215 4.350 0.000 0.000 0.198 180 E C 1.516 178.132 176.600 0.027 0.000 1.024 180 E CA 1.210 57.629 56.400 0.032 0.000 0.861 180 E CB -0.209 29.503 29.700 0.020 0.000 0.788 180 E HN 0.587 nan 8.360 nan 0.000 0.521 181 Q N -0.951 118.870 119.800 0.035 0.000 2.247 181 Q HA 0.291 4.631 4.340 0.000 0.000 0.211 181 Q C 0.430 176.446 176.000 0.027 0.000 0.861 181 Q CA -0.202 55.617 55.803 0.026 0.000 0.949 181 Q CB 0.593 29.343 28.738 0.021 0.000 1.115 181 Q HN 0.477 nan 8.270 nan 0.000 0.507 182 L N 1.824 123.068 121.223 0.035 0.000 2.490 182 L HA 0.009 4.349 4.340 0.000 0.000 0.274 182 L C 1.460 178.333 176.870 0.004 0.000 1.201 182 L CA 0.616 55.467 54.840 0.018 0.000 0.869 182 L CB 0.403 42.465 42.059 0.005 0.000 1.123 182 L HN 0.131 nan 8.230 nan 0.000 0.484 183 T N -3.281 111.272 114.554 -0.002 0.000 3.010 183 T HA 0.067 4.418 4.350 0.000 0.000 0.257 183 T C 0.144 174.837 174.700 -0.011 0.000 1.020 183 T CA -0.408 61.689 62.100 -0.005 0.000 0.938 183 T CB 0.013 68.879 68.868 -0.003 0.000 1.049 183 T HN 0.551 nan 8.240 nan 0.000 0.522 184 D N 1.742 122.132 120.400 -0.017 0.000 2.233 184 D HA 0.404 5.044 4.640 0.000 0.000 0.240 184 D C -1.752 174.531 176.300 -0.027 0.000 1.074 184 D CA -2.390 51.596 54.000 -0.023 0.000 0.838 184 D CB 2.040 42.824 40.800 -0.026 0.000 1.124 184 D HN -0.167 nan 8.370 nan 0.000 0.475 185 P HA -0.172 nan 4.420 nan 0.000 0.215 185 P C 1.123 178.406 177.300 -0.028 0.000 1.157 185 P CA 2.066 65.152 63.100 -0.023 0.000 0.874 185 P CB 0.177 31.865 31.700 -0.020 0.000 0.790 186 E N -0.075 120.106 120.200 -0.031 0.000 2.107 186 E HA -0.216 4.134 4.350 0.000 0.000 0.191 186 E C 2.017 178.589 176.600 -0.046 0.000 0.982 186 E CA 1.103 57.483 56.400 -0.034 0.000 0.809 186 E CB -1.520 28.161 29.700 -0.031 0.000 0.756 186 E HN 0.390 nan 8.360 nan 0.000 0.459 187 Q N -0.550 119.215 119.800 -0.059 0.000 2.135 187 Q HA -0.239 4.101 4.340 0.000 0.000 0.204 187 Q C 2.544 178.479 176.000 -0.108 0.000 0.981 187 Q CA 1.839 57.583 55.803 -0.098 0.000 0.856 187 Q CB -0.107 28.567 28.738 -0.107 0.000 0.902 187 Q HN 0.689 nan 8.270 nan 0.000 0.425 188 Q N -0.375 119.386 119.800 -0.065 0.000 2.020 188 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 188 Q C 2.351 178.329 176.000 -0.037 0.000 0.982 188 Q CA 1.821 57.598 55.803 -0.042 0.000 0.838 188 Q CB -0.050 28.674 28.738 -0.023 0.000 0.899 188 Q HN 0.257 nan 8.270 nan 0.000 0.423 189 Q N 0.507 120.286 119.800 -0.034 0.000 2.112 189 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 189 Q C 1.799 177.778 176.000 -0.035 0.000 0.987 189 Q CA 1.529 57.313 55.803 -0.031 0.000 0.858 189 Q CB -0.743 27.979 28.738 -0.027 0.000 0.905 189 Q HN 0.528 nan 8.270 nan 0.000 0.420 190 N N 0.598 119.277 118.700 -0.035 0.000 2.188 190 N HA 0.023 4.763 4.740 0.000 0.000 0.184 190 N C 1.822 177.374 175.510 0.070 0.000 1.018 190 N CA 1.311 54.358 53.050 -0.006 0.000 0.858 190 N CB -0.658 37.838 38.487 0.015 0.000 0.989 190 N HN 0.477 nan 8.380 nan 0.000 0.426 191 A N 1.490 124.292 122.820 -0.032 0.000 1.978 191 A HA -0.138 4.182 4.320 0.000 0.000 0.220 191 A C 2.283 179.939 177.584 0.119 0.000 1.170 191 A CA 1.224 53.249 52.037 -0.020 0.000 0.636 191 A CB -0.437 18.481 19.000 -0.138 0.000 0.810 191 A HN 0.215 nan 8.150 nan 0.000 0.448 192 R N -0.721 119.795 120.500 0.028 0.000 2.081 192 R HA -0.070 4.270 4.340 0.000 0.000 0.235 192 R C 2.436 178.685 176.300 -0.086 0.000 1.131 192 R CA 1.307 57.401 56.100 -0.011 0.000 0.960 192 R CB -0.376 29.904 30.300 -0.034 0.000 0.856 192 R HN 0.525 nan 8.270 nan 0.000 0.436 193 A N -0.301 122.424 122.820 -0.159 0.000 1.929 193 A HA -0.122 4.198 4.320 0.000 0.000 0.216 193 A C 1.735 178.979 177.584 -0.566 0.000 1.176 193 A CA 0.897 52.653 52.037 -0.469 0.000 0.628 193 A CB -0.554 18.183 19.000 -0.440 0.000 0.816 193 A HN 0.286 nan 8.150 nan 0.000 0.444 194 Y N 0.025 120.227 120.300 -0.164 0.000 2.097 194 Y HA -0.219 4.331 4.550 0.000 0.000 0.282 194 Y C 2.388 178.301 175.900 0.023 0.000 1.152 194 Y CA 1.593 59.762 58.100 0.115 0.000 1.136 194 Y CB -0.232 38.431 38.460 0.339 0.000 0.975 194 Y HN 0.138 nan 8.280 nan 0.000 0.498 195 L N -0.364 120.966 121.223 0.178 0.000 2.017 195 L HA -0.234 4.106 4.340 0.000 0.000 0.208 195 L C 2.317 179.156 176.870 -0.051 0.000 1.073 195 L CA 1.806 56.688 54.840 0.070 0.000 0.745 195 L CB -1.315 40.789 42.059 0.075 0.000 0.894 195 L HN 0.341 nan 8.230 nan 0.000 0.432 196 I N -1.281 119.213 120.570 -0.127 0.000 2.151 196 I HA -0.382 3.788 4.170 0.000 0.000 0.243 196 I C 2.561 178.582 176.117 -0.160 0.000 1.080 196 I CA 1.479 62.688 61.300 -0.152 0.000 1.339 196 I CB -0.390 37.496 38.000 -0.190 0.000 1.039 196 I HN 0.154 nan 8.210 nan 0.000 0.409 197 Y N 0.009 120.140 120.300 -0.282 0.000 2.163 197 Y HA -0.180 4.370 4.550 0.000 0.000 0.288 197 Y C 2.592 178.078 175.900 -0.690 0.000 1.136 197 Y CA 0.837 58.599 58.100 -0.563 0.000 1.147 197 Y CB -1.131 36.886 38.460 -0.739 0.000 0.987 197 Y HN 0.112 nan 8.280 nan 0.000 0.509 198 M N -0.280 119.059 119.600 -0.435 0.000 2.103 198 M HA -0.334 4.147 4.480 0.000 0.000 0.255 198 M C 2.268 178.568 176.300 -0.000 0.000 1.074 198 M CA 2.018 57.131 55.300 -0.311 0.000 1.090 198 M CB -0.414 32.063 32.600 -0.204 0.000 1.325 198 M HN 0.139 nan 8.290 nan 0.000 0.403 199 R N -0.383 120.084 120.500 -0.055 0.000 2.090 199 R HA -0.065 4.275 4.340 0.000 0.000 0.228 199 R C 2.237 178.491 176.300 -0.077 0.000 1.110 199 R CA 0.821 56.918 56.100 -0.005 0.000 0.973 199 R CB -0.131 30.150 30.300 -0.031 0.000 0.869 199 R HN 0.259 nan 8.270 nan 0.000 0.440 200 K N 0.665 120.875 120.400 -0.317 0.000 2.103 200 K HA -0.041 4.279 4.320 0.000 0.000 0.204 200 K C 2.052 178.394 176.600 -0.429 0.000 1.052 200 K CA 1.033 56.979 56.287 -0.567 0.000 0.945 200 K CB -0.107 31.565 32.500 -1.381 0.000 0.722 200 K HN 0.215 nan 8.250 nan 0.000 0.443 201 I N 0.274 120.667 120.570 -0.295 0.000 2.252 201 I HA -0.275 3.895 4.170 0.000 0.000 0.245 201 I C 2.559 178.748 176.117 0.120 0.000 1.102 201 I CA 1.200 62.500 61.300 0.001 0.000 1.385 201 I CB -0.313 37.795 38.000 0.180 0.000 1.064 201 I HN 0.209 nan 8.210 nan 0.000 0.414 202 H N 0.945 120.069 119.070 0.089 0.000 2.319 202 H HA -0.242 4.314 4.556 0.000 0.000 0.299 202 H C 2.181 177.516 175.328 0.012 0.000 1.092 202 H CA 2.280 58.361 56.048 0.056 0.000 1.302 202 H CB -0.004 29.809 29.762 0.085 0.000 1.373 202 H HN 0.367 nan 8.280 nan 0.000 0.497 203 E N 0.042 120.210 120.200 -0.053 0.000 2.047 203 E HA -0.118 4.232 4.350 0.000 0.000 0.191 203 E C 1.820 178.365 176.600 -0.091 0.000 0.987 203 E CA 1.985 58.317 56.400 -0.112 0.000 0.799 203 E CB 0.125 29.806 29.700 -0.032 0.000 0.752 203 E HN 0.487 nan 8.360 nan 0.000 0.449 204 V N -3.372 116.516 119.914 -0.043 0.000 3.605 204 V HA 0.475 4.595 4.120 0.000 0.000 0.284 204 V C 0.761 176.878 176.094 0.038 0.000 1.386 204 V CA 0.298 62.602 62.300 0.007 0.000 1.053 204 V CB 0.031 31.888 31.823 0.057 0.000 0.857 204 V HN 0.404 nan 8.190 nan 0.000 0.436 205 G N 0.060 108.888 108.800 0.048 0.000 2.685 205 G HA2 -0.319 3.641 3.960 0.000 0.000 0.387 205 G HA3 -0.319 3.641 3.960 0.000 0.000 0.387 205 G C -0.150 174.850 174.900 0.167 0.000 1.324 205 G CA 0.182 45.341 45.100 0.099 0.000 0.878 205 G HN 0.493 nan 8.290 nan 0.000 0.527 206 Y N 0.700 121.050 120.300 0.083 0.000 2.465 206 Y HA -0.068 4.482 4.550 0.000 0.000 0.289 206 Y C 2.472 178.425 175.900 0.089 0.000 1.150 206 Y CA 2.429 60.589 58.100 0.100 0.000 1.293 206 Y CB 0.061 38.565 38.460 0.073 0.000 0.977 206 Y HN 0.500 nan 8.280 nan 0.000 0.556 207 D N -0.686 119.770 120.400 0.094 0.000 2.351 207 D HA -0.196 4.444 4.640 0.000 0.000 0.216 207 D C 1.785 178.051 176.300 -0.056 0.000 0.968 207 D CA 0.742 54.752 54.000 0.016 0.000 0.899 207 D CB -0.543 40.285 40.800 0.046 0.000 0.907 207 D HN 0.424 nan 8.370 nan 0.000 0.514 208 F N 1.014 120.868 119.950 -0.160 0.000 2.171 208 F HA -0.171 4.356 4.527 0.000 0.000 0.300 208 F C 1.945 177.581 175.800 -0.272 0.000 1.090 208 F CA 0.801 58.692 58.000 -0.182 0.000 1.293 208 F CB -0.060 38.845 39.000 -0.158 0.000 1.013 208 F HN -0.109 nan 8.300 nan 0.000 0.486 209 L N 0.927 121.898 121.223 -0.419 0.000 1.990 209 L HA -0.247 4.093 4.340 0.000 0.000 0.213 209 L C 2.844 179.446 176.870 -0.446 0.000 1.072 209 L CA 2.634 57.171 54.840 -0.505 0.000 0.755 209 L CB -2.068 39.605 42.059 -0.643 0.000 0.889 209 L HN 0.396 nan 8.230 nan 0.000 0.432 210 E N -0.093 119.903 120.200 -0.340 0.000 2.051 210 E HA -0.248 4.102 4.350 0.000 0.000 0.192 210 E C 2.151 178.589 176.600 -0.269 0.000 0.991 210 E CA 1.880 58.142 56.400 -0.230 0.000 0.799 210 E CB -1.087 28.534 29.700 -0.131 0.000 0.748 210 E HN 0.633 nan 8.360 nan 0.000 0.449 211 E N 0.553 120.559 120.200 -0.322 0.000 2.086 211 E HA -0.281 4.069 4.350 0.000 0.000 0.200 211 E C 1.960 178.309 176.600 -0.417 0.000 1.012 211 E CA 2.085 58.287 56.400 -0.330 0.000 0.812 211 E CB -0.650 28.846 29.700 -0.341 0.000 0.743 211 E HN 0.687 nan 8.360 nan 0.000 0.453 212 E N -0.356 119.430 120.200 -0.690 0.000 2.230 212 E HA -0.036 4.314 4.350 0.000 0.000 0.192 212 E C 2.269 178.659 176.600 -0.350 0.000 0.987 212 E CA 1.387 57.427 56.400 -0.600 0.000 0.841 212 E CB -0.220 28.891 29.700 -0.982 0.000 0.783 212 E HN 0.498 nan 8.360 nan 0.000 0.481 213 T N 0.936 115.294 114.554 -0.327 0.000 2.643 213 T HA -0.147 4.203 4.350 0.000 0.000 0.264 213 T C 1.613 176.229 174.700 -0.141 0.000 1.045 213 T CA 1.676 63.659 62.100 -0.195 0.000 1.155 213 T CB -0.230 68.539 68.868 -0.166 0.000 0.863 213 T HN 0.181 nan 8.240 nan 0.000 0.420 214 K N 0.686 121.000 120.400 -0.143 0.000 2.127 214 K HA -0.166 4.154 4.320 0.000 0.000 0.208 214 K C 2.553 179.100 176.600 -0.089 0.000 1.047 214 K CA 1.213 57.439 56.287 -0.102 0.000 0.927 214 K CB -0.177 32.265 32.500 -0.097 0.000 0.716 214 K HN 0.213 nan 8.250 nan 0.000 0.450 215 R N 1.142 121.574 120.500 -0.112 0.000 2.061 215 R HA -0.081 4.259 4.340 0.000 0.000 0.230 215 R C 2.384 178.651 176.300 -0.055 0.000 1.140 215 R CA 1.149 57.201 56.100 -0.080 0.000 0.940 215 R CB -0.266 29.981 30.300 -0.089 0.000 0.839 215 R HN 0.107 nan 8.270 nan 0.000 0.429 216 L N 0.814 122.000 121.223 -0.062 0.000 1.989 216 L HA -0.221 4.119 4.340 0.000 0.000 0.211 216 L C 2.524 179.375 176.870 -0.031 0.000 1.071 216 L CA 1.335 56.154 54.840 -0.035 0.000 0.749 216 L CB -0.471 41.568 42.059 -0.034 0.000 0.890 216 L HN 0.271 nan 8.230 nan 0.000 0.431 217 L N -0.610 120.588 121.223 -0.042 0.000 2.131 217 L HA -0.207 4.133 4.340 0.000 0.000 0.210 217 L C 2.816 179.671 176.870 -0.025 0.000 1.092 217 L CA 1.016 55.838 54.840 -0.031 0.000 0.759 217 L CB -0.545 41.494 42.059 -0.035 0.000 0.903 217 L HN 0.293 nan 8.230 nan 0.000 0.435 218 R N 0.801 121.284 120.500 -0.029 0.000 2.081 218 R HA -0.168 4.172 4.340 0.000 0.000 0.235 218 R C 2.309 178.600 176.300 -0.015 0.000 1.131 218 R CA 1.396 57.482 56.100 -0.022 0.000 0.960 218 R CB -0.196 30.089 30.300 -0.025 0.000 0.856 218 R HN 0.303 nan 8.270 nan 0.000 0.436 219 L N 0.709 121.924 121.223 -0.013 0.000 2.017 219 L HA -0.162 4.178 4.340 0.000 0.000 0.208 219 L C 2.744 179.611 176.870 -0.005 0.000 1.073 219 L CA 1.647 56.483 54.840 -0.007 0.000 0.745 219 L CB -0.468 41.589 42.059 -0.004 0.000 0.894 219 L HN 0.219 nan 8.230 nan 0.000 0.432 220 K N 0.425 120.822 120.400 -0.006 0.000 2.103 220 K HA -0.173 4.147 4.320 0.000 0.000 0.207 220 K C 1.848 178.446 176.600 -0.003 0.000 1.048 220 K CA 1.386 57.671 56.287 -0.003 0.000 0.930 220 K CB -0.092 32.406 32.500 -0.004 0.000 0.716 220 K HN 0.296 nan 8.250 nan 0.000 0.444 221 A N 0.580 123.397 122.820 -0.006 0.000 2.235 221 A HA 0.162 4.482 4.320 0.000 0.000 0.208 221 A C 0.953 178.535 177.584 -0.003 0.000 1.172 221 A CA 0.535 52.569 52.037 -0.005 0.000 0.786 221 A CB -0.419 18.576 19.000 -0.007 0.000 0.804 221 A HN 0.422 nan 8.150 nan 0.000 0.479 222 G N -0.973 107.825 108.800 -0.003 0.000 2.563 222 G HA2 0.454 4.414 3.960 0.000 0.000 0.283 222 G HA3 0.454 4.414 3.960 0.000 0.000 0.283 222 G C 0.113 175.013 174.900 0.000 0.000 1.309 222 G CA 0.055 45.154 45.100 -0.002 0.000 1.022 222 G HN 0.652 nan 8.290 nan 0.000 0.501 223 K N -0.490 119.910 120.400 0.001 0.000 2.273 223 K HA 0.580 4.900 4.320 0.000 0.000 0.287 223 K C -0.045 176.557 176.600 0.002 0.000 1.089 223 K CA -0.127 56.161 56.287 0.002 0.000 0.909 223 K CB 0.368 32.869 32.500 0.002 0.000 1.123 223 K HN 1.644 nan 8.250 nan 0.000 0.473 224 V N -0.719 119.196 119.914 0.003 0.000 2.914 224 V HA 0.796 4.916 4.120 0.000 0.000 0.314 224 V C 0.309 176.406 176.094 0.005 0.000 1.084 224 V CA -0.249 62.053 62.300 0.003 0.000 0.963 224 V CB 1.447 33.272 31.823 0.003 0.000 1.025 224 V HN 0.895 nan 8.190 nan 0.000 0.432 225 T N -1.018 113.539 114.554 0.005 0.000 2.813 225 T HA 0.285 4.635 4.350 0.000 0.000 0.297 225 T C 0.890 175.594 174.700 0.006 0.000 1.036 225 T CA 0.579 62.683 62.100 0.006 0.000 1.044 225 T CB 1.020 69.891 68.868 0.005 0.000 0.993 225 T HN 0.914 nan 8.240 nan 0.000 0.535 226 E N 0.801 121.006 120.200 0.007 0.000 2.070 226 E HA -0.233 4.117 4.350 0.000 0.000 0.197 226 E C 2.385 178.989 176.600 0.006 0.000 1.004 226 E CA 1.431 57.836 56.400 0.008 0.000 0.805 226 E CB -0.479 29.227 29.700 0.010 0.000 0.744 226 E HN 0.834 nan 8.360 nan 0.000 0.451 227 A N 0.953 123.777 122.820 0.006 0.000 1.933 227 A HA -0.208 4.112 4.320 0.000 0.000 0.218 227 A C 2.011 179.596 177.584 0.003 0.000 1.175 227 A CA 1.826 53.865 52.037 0.004 0.000 0.628 227 A CB -0.304 18.698 19.000 0.003 0.000 0.814 227 A HN 0.056 nan 8.150 nan 0.000 0.444 228 K N 0.602 121.004 120.400 0.004 0.000 2.062 228 K HA -0.098 4.222 4.320 0.000 0.000 0.205 228 K C 1.998 178.600 176.600 0.005 0.000 1.051 228 K CA 1.887 58.176 56.287 0.004 0.000 0.941 228 K CB -0.317 32.185 32.500 0.004 0.000 0.719 228 K HN 0.403 nan 8.250 nan 0.000 0.440 229 K N 0.439 120.842 120.400 0.005 0.000 2.034 229 K HA -0.276 4.044 4.320 0.000 0.000 0.214 229 K C 2.176 178.780 176.600 0.006 0.000 1.051 229 K CA 2.448 58.738 56.287 0.005 0.000 0.931 229 K CB -0.386 32.118 32.500 0.006 0.000 0.715 229 K HN 0.319 nan 8.250 nan 0.000 0.446 230 E N 1.495 121.698 120.200 0.005 0.000 2.130 230 E HA -0.267 4.083 4.350 0.000 0.000 0.196 230 E C 1.614 178.216 176.600 0.003 0.000 0.998 230 E CA 1.925 58.327 56.400 0.004 0.000 0.806 230 E CB -0.772 28.929 29.700 0.002 0.000 0.738 230 E HN 0.842 nan 8.360 nan 0.000 0.459 231 E N -0.249 119.953 120.200 0.003 0.000 2.170 231 E HA 0.004 4.354 4.350 0.000 0.000 0.191 231 E C 2.245 178.850 176.600 0.009 0.000 0.981 231 E CA 0.683 57.084 56.400 0.003 0.000 0.830 231 E CB -0.227 29.473 29.700 0.001 0.000 0.775 231 E HN 0.511 nan 8.360 nan 0.000 0.470 232 L N 0.837 122.067 121.223 0.011 0.000 2.056 232 L HA -0.125 4.215 4.340 0.000 0.000 0.207 232 L C 2.672 179.553 176.870 0.018 0.000 1.078 232 L CA 0.854 55.703 54.840 0.016 0.000 0.749 232 L CB -0.379 41.687 42.059 0.010 0.000 0.901 232 L HN 0.202 nan 8.230 nan 0.000 0.433 233 L N -0.606 120.625 121.223 0.013 0.000 2.042 233 L HA -0.238 4.102 4.340 0.000 0.000 0.210 233 L C 2.878 179.758 176.870 0.017 0.000 1.076 233 L CA 1.313 56.161 54.840 0.014 0.000 0.749 233 L CB -0.520 41.545 42.059 0.010 0.000 0.893 233 L HN 0.226 nan 8.230 nan 0.000 0.432 234 R N 0.183 120.691 120.500 0.012 0.000 2.103 234 R HA -0.199 4.141 4.340 0.000 0.000 0.242 234 R C 2.284 178.596 176.300 0.019 0.000 1.142 234 R CA 1.524 57.630 56.100 0.009 0.000 0.960 234 R CB -0.239 30.060 30.300 -0.002 0.000 0.858 234 R HN 0.432 nan 8.270 nan 0.000 0.439 235 K N 0.286 120.710 120.400 0.040 0.000 2.103 235 K HA -0.055 4.265 4.320 0.000 0.000 0.204 235 K C 2.132 178.813 176.600 0.134 0.000 1.052 235 K CA 0.856 57.205 56.287 0.104 0.000 0.945 235 K CB -0.033 32.544 32.500 0.129 0.000 0.722 235 K HN 0.147 nan 8.250 nan 0.000 0.443 236 L N 1.462 122.724 121.223 0.065 0.000 2.109 236 L HA -0.142 4.198 4.340 0.000 0.000 0.207 236 L C 1.842 178.737 176.870 0.042 0.000 1.086 236 L CA 0.810 55.672 54.840 0.036 0.000 0.760 236 L CB -0.344 41.723 42.059 0.013 0.000 0.910 236 L HN 0.188 nan 8.230 nan 0.000 0.437 237 N N 0.300 119.024 118.700 0.040 0.000 2.120 237 N HA -0.143 4.598 4.740 0.000 0.000 0.188 237 N C 1.889 177.422 175.510 0.038 0.000 1.024 237 N CA 1.393 54.467 53.050 0.041 0.000 0.852 237 N CB -0.225 38.281 38.487 0.032 0.000 1.003 237 N HN 0.326 nan 8.380 nan 0.000 0.424 238 I N 0.600 121.177 120.570 0.012 0.000 2.226 238 I HA -0.230 3.940 4.170 0.000 0.000 0.245 238 I C 2.223 178.434 176.117 0.157 0.000 1.100 238 I CA 0.667 61.910 61.300 -0.094 0.000 1.374 238 I CB -0.172 37.656 38.000 -0.287 0.000 1.057 238 I HN 0.048 nan 8.210 nan 0.000 0.413 239 L N 1.066 122.424 121.223 0.225 0.000 2.083 239 L HA -0.213 4.127 4.340 0.000 0.000 0.209 239 L C 2.373 179.349 176.870 0.177 0.000 1.083 239 L CA 1.850 56.773 54.840 0.139 0.000 0.752 239 L CB -0.582 41.369 42.059 -0.181 0.000 0.899 239 L HN 0.134 nan 8.230 nan 0.000 0.433 240 E N -0.661 119.601 120.200 0.104 0.000 2.130 240 E HA -0.203 4.147 4.350 0.000 0.000 0.196 240 E C 2.105 178.767 176.600 0.103 0.000 0.998 240 E CA 1.652 58.108 56.400 0.093 0.000 0.806 240 E CB -0.379 29.362 29.700 0.068 0.000 0.738 240 E HN 0.377 nan 8.360 nan 0.000 0.459 241 V N 0.083 120.034 119.914 0.062 0.000 2.317 241 V HA -0.286 3.834 4.120 0.000 0.000 0.251 241 V C 1.837 177.858 176.094 -0.122 0.000 1.065 241 V CA 2.078 64.334 62.300 -0.073 0.000 1.049 241 V CB -0.672 31.030 31.823 -0.202 0.000 0.651 241 V HN 0.301 nan 8.190 nan 0.000 0.450 242 F N -0.396 119.637 119.950 0.139 0.000 2.811 242 F HA 0.169 4.697 4.527 0.000 0.000 0.301 242 F C 1.454 177.402 175.800 0.246 0.000 1.151 242 F CA -0.066 58.047 58.000 0.188 0.000 1.412 242 F CB -0.334 38.754 39.000 0.146 0.000 1.113 242 F HN 0.020 nan 8.300 nan 0.000 0.579 243 R N 0.862 121.555 120.500 0.322 0.000 2.543 243 R HA 0.380 4.720 4.340 0.000 0.000 0.277 243 R C -0.263 176.221 176.300 0.308 0.000 1.074 243 R CA -0.313 56.003 56.100 0.361 0.000 1.076 243 R CB 0.954 31.400 30.300 0.243 0.000 0.993 243 R HN 0.023 nan 8.270 nan 0.000 0.459 244 V N -0.735 119.353 119.914 0.290 0.000 2.919 244 V HA 0.232 4.352 4.120 0.000 0.000 0.316 244 V C 0.710 176.845 176.094 0.068 0.000 1.077 244 V CA -0.725 61.644 62.300 0.115 0.000 0.977 244 V CB 1.789 33.609 31.823 -0.005 0.000 1.039 244 V HN 0.917 nan 8.190 nan 0.000 0.441 245 H N 2.523 121.586 119.070 -0.011 0.000 2.403 245 H HA 0.419 4.976 4.556 0.000 0.000 0.298 245 H C 0.701 175.998 175.328 -0.052 0.000 1.059 245 H CA 1.973 58.012 56.048 -0.016 0.000 1.363 245 H CB 0.111 29.871 29.762 -0.004 0.000 1.410 245 H HN 1.024 nan 8.280 nan 0.000 0.528 246 K N 0.492 120.796 120.400 -0.161 0.000 2.422 246 K HA 0.662 4.982 4.320 0.000 0.000 0.251 246 K C -1.080 175.397 176.600 -0.204 0.000 0.933 246 K CA -0.289 55.870 56.287 -0.215 0.000 0.798 246 K CB 1.298 33.709 32.500 -0.149 0.000 1.238 246 K HN 0.110 nan 8.250 nan 0.000 0.428 247 V N 2.801 122.564 119.914 -0.251 0.000 2.439 247 V HA 0.214 4.334 4.120 0.000 0.000 0.271 247 V C 0.900 176.924 176.094 -0.117 0.000 1.040 247 V CA 0.231 62.390 62.300 -0.234 0.000 1.002 247 V CB 0.547 32.224 31.823 -0.245 0.000 1.000 247 V HN 1.041 nan 8.190 nan 0.000 0.477 248 T N 2.832 117.337 114.554 -0.082 0.000 2.999 248 T HA 0.097 4.447 4.350 0.000 0.000 0.247 248 T C 0.831 175.514 174.700 -0.030 0.000 1.012 248 T CA 0.178 62.251 62.100 -0.045 0.000 1.048 248 T CB 0.178 69.028 68.868 -0.029 0.000 1.020 248 T HN 0.603 nan 8.240 nan 0.000 0.478 249 K N 2.376 122.761 120.400 -0.025 0.000 2.143 249 K HA 0.282 4.602 4.320 0.000 0.000 0.272 249 K C -0.680 175.916 176.600 -0.007 0.000 1.001 249 K CA -0.206 56.074 56.287 -0.012 0.000 0.915 249 K CB 0.912 33.408 32.500 -0.005 0.000 1.047 249 K HN -0.052 nan 8.250 nan 0.000 0.458 250 T N 2.695 117.245 114.554 -0.006 0.000 2.905 250 T HA 0.074 4.424 4.350 0.000 0.000 0.299 250 T C 0.223 174.924 174.700 0.003 0.000 1.024 250 T CA 0.047 62.145 62.100 -0.004 0.000 1.151 250 T CB 0.712 69.577 68.868 -0.006 0.000 0.987 250 T HN 0.690 nan 8.240 nan 0.000 0.535 251 A N 0.000 122.826 122.820 0.010 0.000 2.254 251 A HA 0.000 4.320 4.320 0.000 0.000 0.244 251 A CA 0.000 52.050 52.037 0.022 0.000 0.836 251 A CB 0.000 19.000 19.000 0.000 0.000 0.831 251 A HN 0.000 nan 8.150 nan 0.000 0.486