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 1vio_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLRLDKFIAE NVGLTRSQAT KAIRQSAVKI NGEIVKSGSV QISQEDEIYF DATA SEQUENCE EDELLTWIEE GQYFMLNKPQ GCVCSNDXXD YPTIYQFFDY PLAGKLHSAG DATA SEQUENCE RLDVDTTGLV LLTDDGQWSH RITSPKHHCE KTYLVTLADP VEENYSAACA DATA SEQUENCE EGILLRGEKE PTKPAKLEIL DDYNVNLTIS EGRYHQVKRM FAALGNKVVG DATA SEQUENCE LHRWKIGDVV LDESLEEGEY RPLTQSEIEK LV 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.652 174.600 0.087 0.000 1.055 0 S CA 0.000 58.218 58.200 0.031 0.000 1.107 0 S CB 0.000 63.207 63.200 0.012 0.000 0.593 1 L N -1.766 119.544 121.223 0.145 0.000 2.403 1 L HA 0.778 5.112 4.340 -0.010 0.000 0.253 1 L C -0.631 176.324 176.870 0.142 0.000 1.045 1 L CA -1.513 53.417 54.840 0.151 0.000 0.845 1 L CB 1.529 43.712 42.059 0.206 0.000 1.447 1 L HN 0.768 nan 8.230 nan 0.000 0.411 2 R N 0.474 121.043 120.500 0.115 0.000 2.643 2 R HA 0.155 4.489 4.340 -0.010 0.000 0.270 2 R C 0.864 177.236 176.300 0.120 0.000 1.061 2 R CA -0.395 55.763 56.100 0.096 0.000 1.107 2 R CB 0.811 31.154 30.300 0.072 0.000 0.999 2 R HN 0.627 nan 8.270 nan 0.000 0.460 3 L N 3.110 124.388 121.223 0.092 0.000 2.046 3 L HA -0.214 4.120 4.340 -0.010 0.000 0.208 3 L C 1.558 178.504 176.870 0.126 0.000 1.077 3 L CA 2.185 57.081 54.840 0.094 0.000 0.747 3 L CB -0.509 41.585 42.059 0.058 0.000 0.896 3 L HN 0.781 nan 8.230 nan 0.000 0.432 4 D N -0.796 119.659 120.400 0.091 0.000 2.178 4 D HA -0.274 4.360 4.640 -0.010 0.000 0.202 4 D C 2.036 178.376 176.300 0.067 0.000 0.974 4 D CA 1.620 55.666 54.000 0.076 0.000 0.841 4 D CB -0.547 40.284 40.800 0.052 0.000 0.953 4 D HN 0.496 nan 8.370 nan 0.000 0.478 5 K N -0.623 119.823 120.400 0.076 0.000 2.057 5 K HA -0.156 4.158 4.320 -0.010 0.000 0.206 5 K C 2.042 178.665 176.600 0.039 0.000 1.050 5 K CA 0.824 57.142 56.287 0.051 0.000 0.935 5 K CB -0.419 32.121 32.500 0.067 0.000 0.715 5 K HN 0.146 nan 8.250 nan 0.000 0.439 6 F N 1.665 121.577 119.950 -0.063 0.000 2.102 6 F HA -0.206 4.319 4.527 -0.003 0.000 0.298 6 F C 1.838 177.540 175.800 -0.163 0.000 1.105 6 F CA 1.230 59.141 58.000 -0.148 0.000 1.239 6 F CB -0.081 38.790 39.000 -0.216 0.000 0.991 6 F HN -0.021 nan 8.300 nan 0.000 0.474 7 I N 0.769 121.416 120.570 0.129 0.000 2.226 7 I HA -0.264 3.901 4.170 -0.010 0.000 0.245 7 I C 2.757 178.782 176.117 -0.154 0.000 1.100 7 I CA 1.472 62.785 61.300 0.021 0.000 1.374 7 I CB -2.125 35.963 38.000 0.146 0.000 1.057 7 I HN 0.263 nan 8.210 nan 0.000 0.413 8 A N 0.667 123.425 122.820 -0.103 0.000 1.877 8 A HA -0.214 4.100 4.320 -0.010 0.000 0.216 8 A C 2.247 179.720 177.584 -0.184 0.000 1.186 8 A CA 1.716 53.676 52.037 -0.128 0.000 0.620 8 A CB -0.644 18.315 19.000 -0.069 0.000 0.822 8 A HN 0.504 nan 8.150 nan 0.000 0.443 9 E N -0.345 119.729 120.200 -0.210 0.000 2.107 9 E HA -0.101 4.243 4.350 -0.010 0.000 0.191 9 E C 1.458 177.868 176.600 -0.315 0.000 0.982 9 E CA 0.941 57.202 56.400 -0.232 0.000 0.809 9 E CB -0.156 29.415 29.700 -0.215 0.000 0.756 9 E HN 0.569 nan 8.360 nan 0.000 0.459 10 N N 0.238 118.647 118.700 -0.484 0.000 2.415 10 N HA -0.036 4.698 4.740 -0.010 0.000 0.176 10 N C 1.383 176.673 175.510 -0.367 0.000 1.042 10 N CA 0.607 53.349 53.050 -0.513 0.000 0.902 10 N CB 0.865 38.797 38.487 -0.925 0.000 0.986 10 N HN 0.017 nan 8.380 nan 0.000 0.447 11 V N -0.407 119.273 119.914 -0.391 0.000 3.643 11 V HA 0.243 4.358 4.120 -0.010 0.000 0.280 11 V C 1.049 176.939 176.094 -0.340 0.000 1.351 11 V CA 0.422 62.447 62.300 -0.459 0.000 1.073 11 V CB 0.172 31.481 31.823 -0.858 0.000 0.863 11 V HN 0.321 nan 8.190 nan 0.000 0.436 12 G N 1.544 110.198 108.800 -0.244 0.000 2.289 12 G HA2 -0.221 3.734 3.960 -0.010 0.000 0.280 12 G HA3 -0.221 3.734 3.960 -0.010 0.000 0.280 12 G C -0.324 174.486 174.900 -0.152 0.000 1.089 12 G CA 0.387 45.397 45.100 -0.151 0.000 0.939 12 G HN 0.433 nan 8.290 nan 0.000 0.499 13 L N -0.112 121.003 121.223 -0.180 0.000 2.323 13 L HA 0.756 5.090 4.340 -0.010 0.000 0.265 13 L C 1.257 178.078 176.870 -0.082 0.000 1.012 13 L CA -0.750 54.007 54.840 -0.137 0.000 0.820 13 L CB 1.877 43.828 42.059 -0.181 0.000 1.334 13 L HN 0.371 nan 8.230 nan 0.000 0.427 14 T N -2.475 112.050 114.554 -0.048 0.000 2.788 14 T HA 0.141 4.485 4.350 -0.010 0.000 0.287 14 T C 0.911 175.597 174.700 -0.023 0.000 1.007 14 T CA -0.422 61.660 62.100 -0.031 0.000 1.005 14 T CB 1.201 70.060 68.868 -0.016 0.000 1.012 14 T HN 0.549 nan 8.240 nan 0.000 0.530 15 R N 0.498 120.989 120.500 -0.014 0.000 2.120 15 R HA -0.002 4.333 4.340 -0.010 0.000 0.234 15 R C 2.551 178.855 176.300 0.007 0.000 1.123 15 R CA 1.627 57.725 56.100 -0.003 0.000 0.975 15 R CB -1.212 29.089 30.300 0.001 0.000 0.866 15 R HN 0.730 nan 8.270 nan 0.000 0.446 16 S N 0.242 115.945 115.700 0.005 0.000 2.368 16 S HA -0.122 4.343 4.470 -0.010 0.000 0.224 16 S C 1.738 176.349 174.600 0.019 0.000 1.029 16 S CA 1.157 59.364 58.200 0.012 0.000 0.988 16 S CB -0.131 63.074 63.200 0.009 0.000 0.838 16 S HN 0.441 nan 8.310 nan 0.000 0.462 17 Q N 0.815 120.624 119.800 0.016 0.000 2.119 17 Q HA 0.031 4.365 4.340 -0.010 0.000 0.201 17 Q C 2.476 178.505 176.000 0.047 0.000 0.972 17 Q CA 1.258 57.078 55.803 0.029 0.000 0.847 17 Q CB -0.338 28.409 28.738 0.015 0.000 0.903 17 Q HN 0.586 nan 8.270 nan 0.000 0.433 18 A N 0.471 123.311 122.820 0.032 0.000 1.930 18 A HA -0.157 4.158 4.320 -0.010 0.000 0.217 18 A C 2.211 179.838 177.584 0.071 0.000 1.175 18 A CA 1.733 53.810 52.037 0.066 0.000 0.627 18 A CB -0.751 18.268 19.000 0.033 0.000 0.815 18 A HN 0.283 nan 8.150 nan 0.000 0.443 19 T N -0.426 114.154 114.554 0.044 0.000 2.777 19 T HA -0.124 4.220 4.350 -0.010 0.000 0.266 19 T C 1.978 176.697 174.700 0.032 0.000 1.040 19 T CA 1.641 63.762 62.100 0.036 0.000 1.141 19 T CB -0.143 68.740 68.868 0.025 0.000 0.868 19 T HN 0.620 nan 8.240 nan 0.000 0.444 20 K N 1.065 121.486 120.400 0.036 0.000 2.057 20 K HA 0.004 4.319 4.320 -0.010 0.000 0.206 20 K C 2.521 179.138 176.600 0.028 0.000 1.050 20 K CA 1.148 57.454 56.287 0.031 0.000 0.935 20 K CB -0.311 32.211 32.500 0.036 0.000 0.715 20 K HN 0.258 nan 8.250 nan 0.000 0.439 21 A N 1.453 124.305 122.820 0.053 0.000 1.908 21 A HA -0.150 4.165 4.320 -0.010 0.000 0.218 21 A C 2.084 179.645 177.584 -0.039 0.000 1.181 21 A CA 1.536 53.585 52.037 0.020 0.000 0.627 21 A CB -0.589 18.498 19.000 0.145 0.000 0.818 21 A HN 0.367 nan 8.150 nan 0.000 0.445 22 I N -1.167 119.406 120.570 0.005 0.000 2.226 22 I HA -0.240 3.924 4.170 -0.010 0.000 0.245 22 I C 2.695 178.802 176.117 -0.017 0.000 1.100 22 I CA 1.648 62.944 61.300 -0.006 0.000 1.374 22 I CB -0.274 37.740 38.000 0.023 0.000 1.057 22 I HN 0.360 nan 8.210 nan 0.000 0.413 23 R N 0.679 121.175 120.500 -0.007 0.000 2.148 23 R HA -0.142 4.193 4.340 -0.010 0.000 0.227 23 R C 1.606 177.894 176.300 -0.020 0.000 1.103 23 R CA 1.016 57.110 56.100 -0.009 0.000 0.983 23 R CB 0.129 30.429 30.300 -0.000 0.000 0.874 23 R HN 0.327 nan 8.270 nan 0.000 0.451 24 Q N 0.007 119.789 119.800 -0.030 0.000 2.247 24 Q HA 0.121 4.456 4.340 -0.010 0.000 0.205 24 Q C -0.051 175.911 176.000 -0.064 0.000 0.896 24 Q CA 0.227 56.006 55.803 -0.040 0.000 0.950 24 Q CB 0.988 29.705 28.738 -0.035 0.000 1.054 24 Q HN 0.247 nan 8.270 nan 0.000 0.482 25 S N -0.573 115.087 115.700 -0.066 0.000 3.561 25 S HA -0.238 4.226 4.470 -0.010 0.000 0.318 25 S C 0.913 175.441 174.600 -0.120 0.000 1.181 25 S CA 0.633 58.788 58.200 -0.076 0.000 0.916 25 S CB -1.333 61.830 63.200 -0.061 0.000 0.966 25 S HN 0.638 nan 8.310 nan 0.000 0.550 26 A N -0.546 122.161 122.820 -0.187 0.000 2.218 26 A HA 0.518 4.832 4.320 -0.010 0.000 0.209 26 A C 0.632 177.994 177.584 -0.369 0.000 1.168 26 A CA 0.541 52.372 52.037 -0.343 0.000 0.804 26 A CB 0.406 19.067 19.000 -0.565 0.000 0.834 26 A HN 0.513 nan 8.150 nan 0.000 0.482 27 V N 0.681 120.483 119.914 -0.187 0.000 2.495 27 V HA 0.395 4.509 4.120 -0.010 0.000 0.298 27 V C -0.402 175.690 176.094 -0.002 0.000 1.031 27 V CA -0.674 61.586 62.300 -0.067 0.000 0.871 27 V CB 1.624 33.449 31.823 0.004 0.000 0.988 27 V HN 0.367 nan 8.190 nan 0.000 0.432 28 K N 4.603 125.045 120.400 0.071 0.000 2.375 28 K HA 0.732 5.046 4.320 -0.010 0.000 0.249 28 K C -1.415 175.289 176.600 0.174 0.000 0.942 28 K CA -0.712 55.626 56.287 0.085 0.000 0.806 28 K CB 2.951 35.464 32.500 0.021 0.000 1.227 28 K HN 0.494 nan 8.250 nan 0.000 0.430 29 I N 2.858 123.500 120.570 0.120 0.000 2.410 29 I HA 0.166 4.330 4.170 -0.010 0.000 0.286 29 I C -0.442 175.757 176.117 0.137 0.000 1.009 29 I CA -0.726 60.648 61.300 0.124 0.000 1.111 29 I CB 1.391 39.425 38.000 0.057 0.000 1.262 29 I HN 0.661 nan 8.210 nan 0.000 0.443 30 N N 5.285 124.125 118.700 0.233 0.000 2.725 30 N HA -0.208 4.526 4.740 -0.010 0.000 0.251 30 N C 0.963 176.513 175.510 0.066 0.000 1.031 30 N CA 1.215 54.379 53.050 0.190 0.000 0.720 30 N CB -0.928 37.617 38.487 0.097 0.000 0.930 30 N HN 1.191 nan 8.380 nan 0.000 0.543 31 G N -1.032 107.740 108.800 -0.047 0.000 2.205 31 G HA2 -0.342 3.612 3.960 -0.010 0.000 0.261 31 G HA3 -0.342 3.612 3.960 -0.010 0.000 0.261 31 G C -0.130 174.701 174.900 -0.115 0.000 0.980 31 G CA 0.753 45.730 45.100 -0.205 0.000 0.632 31 G HN 0.573 nan 8.290 nan 0.000 0.533 32 E N 0.049 120.223 120.200 -0.043 0.000 2.197 32 E HA 0.537 4.881 4.350 -0.010 0.000 0.281 32 E C 0.450 177.037 176.600 -0.023 0.000 0.995 32 E CA -0.841 55.540 56.400 -0.031 0.000 0.808 32 E CB 1.349 31.042 29.700 -0.012 0.000 1.093 32 E HN 0.359 nan 8.360 nan 0.000 0.394 33 I N 3.170 123.720 120.570 -0.033 0.000 2.598 33 I HA -0.006 4.158 4.170 -0.010 0.000 0.284 33 I C -0.336 175.771 176.117 -0.015 0.000 1.140 33 I CA 0.043 61.325 61.300 -0.030 0.000 1.420 33 I CB 0.339 38.316 38.000 -0.039 0.000 1.387 33 I HN 0.144 nan 8.210 nan 0.000 0.553 34 V N 8.004 127.914 119.914 -0.007 0.000 2.495 34 V HA 0.297 4.411 4.120 -0.010 0.000 0.298 34 V C 0.517 176.609 176.094 -0.002 0.000 1.031 34 V CA -0.752 61.548 62.300 0.001 0.000 0.871 34 V CB 1.797 33.628 31.823 0.013 0.000 0.988 34 V HN 0.641 nan 8.190 nan 0.000 0.432 35 K N 1.681 122.080 120.400 -0.001 0.000 2.399 35 K HA 0.269 4.584 4.320 -0.010 0.000 0.204 35 K C 0.380 176.984 176.600 0.006 0.000 1.023 35 K CA 0.105 56.391 56.287 -0.002 0.000 1.127 35 K CB 1.234 33.730 32.500 -0.006 0.000 0.856 35 K HN 0.501 nan 8.250 nan 0.000 0.514 36 S N -0.191 115.516 115.700 0.011 0.000 2.552 36 S HA 0.475 4.939 4.470 -0.010 0.000 0.314 36 S C 0.881 175.496 174.600 0.024 0.000 1.099 36 S CA -0.546 57.663 58.200 0.016 0.000 1.070 36 S CB 1.302 64.511 63.200 0.014 0.000 0.998 36 S HN 0.306 nan 8.310 nan 0.000 0.474 37 G N 2.174 110.991 108.800 0.028 0.000 2.744 37 G HA2 -0.044 3.911 3.960 -0.010 0.000 0.211 37 G HA3 -0.044 3.911 3.960 -0.010 0.000 0.211 37 G C 1.263 176.187 174.900 0.039 0.000 1.143 37 G CA 0.650 45.773 45.100 0.038 0.000 0.788 37 G HN 0.899 nan 8.290 nan 0.000 0.534 38 S N -0.261 115.458 115.700 0.031 0.000 2.528 38 S HA 0.175 4.639 4.470 -0.010 0.000 0.219 38 S C 0.824 175.443 174.600 0.033 0.000 0.985 38 S CA -0.322 57.897 58.200 0.032 0.000 0.914 38 S CB 0.085 63.299 63.200 0.024 0.000 0.776 38 S HN -0.036 nan 8.310 nan 0.000 0.526 39 V N 3.603 123.535 119.914 0.031 0.000 2.557 39 V HA 0.043 4.158 4.120 -0.010 0.000 0.301 39 V C 0.414 176.531 176.094 0.038 0.000 1.026 39 V CA 0.229 62.546 62.300 0.029 0.000 1.137 39 V CB 0.219 32.057 31.823 0.025 0.000 0.917 39 V HN 0.527 nan 8.190 nan 0.000 0.484 40 Q N 5.045 124.865 119.800 0.035 0.000 2.286 40 Q HA 0.533 4.867 4.340 -0.010 0.000 0.257 40 Q C -0.232 175.795 176.000 0.044 0.000 0.941 40 Q CA -0.030 55.799 55.803 0.044 0.000 0.912 40 Q CB 1.780 30.537 28.738 0.032 0.000 1.192 40 Q HN 0.807 nan 8.270 nan 0.000 0.410 41 I N -1.637 118.979 120.570 0.076 0.000 2.934 41 I HA 0.766 4.930 4.170 -0.010 0.000 0.306 41 I C -0.237 175.928 176.117 0.080 0.000 1.110 41 I CA -0.910 60.442 61.300 0.087 0.000 1.019 41 I CB 2.441 40.510 38.000 0.115 0.000 1.227 41 I HN 0.561 nan 8.210 nan 0.000 0.434 42 S N 1.827 117.476 115.700 -0.084 0.000 2.732 42 S HA 0.378 4.842 4.470 -0.010 0.000 0.293 42 S C 0.239 174.232 174.600 -1.012 0.000 1.159 42 S CA -0.768 57.156 58.200 -0.461 0.000 0.847 42 S CB 1.765 64.787 63.200 -0.296 0.000 1.169 42 S HN 0.767 nan 8.310 nan 0.000 0.501 43 Q N 0.187 119.185 119.800 -1.337 0.000 2.508 43 Q HA -0.035 4.299 4.340 -0.010 0.000 0.214 43 Q C 1.057 176.675 176.000 -0.638 0.000 0.979 43 Q CA 1.095 56.012 55.803 -1.477 0.000 0.911 43 Q CB -0.250 27.938 28.738 -0.917 0.000 0.969 43 Q HN 0.706 nan 8.270 nan 0.000 0.504 44 E N 0.608 120.571 120.200 -0.395 0.000 2.427 44 E HA -0.033 4.311 4.350 -0.010 0.000 0.196 44 E C -0.207 176.331 176.600 -0.102 0.000 1.028 44 E CA 0.234 56.520 56.400 -0.190 0.000 0.864 44 E CB 0.295 29.913 29.700 -0.137 0.000 0.813 44 E HN 0.308 nan 8.360 nan 0.000 0.514 45 D N 1.364 121.711 120.400 -0.088 0.000 2.163 45 D HA 0.178 4.812 4.640 -0.010 0.000 0.248 45 D C -0.324 176.069 176.300 0.155 0.000 1.035 45 D CA -0.079 53.948 54.000 0.046 0.000 0.872 45 D CB 1.338 42.178 40.800 0.068 0.000 1.183 45 D HN -0.058 nan 8.370 nan 0.000 0.445 46 E N 1.322 121.580 120.200 0.096 0.000 2.134 46 E HA 0.311 4.655 4.350 -0.010 0.000 0.278 46 E C -0.283 176.242 176.600 -0.125 0.000 0.959 46 E CA -0.688 55.706 56.400 -0.011 0.000 0.783 46 E CB 1.595 31.302 29.700 0.011 0.000 1.095 46 E HN 0.222 nan 8.360 nan 0.000 0.399 47 I N 3.588 123.969 120.570 -0.314 0.000 2.377 47 I HA 0.294 4.458 4.170 -0.010 0.000 0.293 47 I C -0.489 175.409 176.117 -0.364 0.000 0.987 47 I CA -0.697 60.440 61.300 -0.272 0.000 1.185 47 I CB 0.222 37.941 38.000 -0.468 0.000 1.341 47 I HN 0.478 nan 8.210 nan 0.000 0.455 48 Y N 5.445 125.753 120.300 0.014 0.000 2.409 48 Y HA 0.497 5.042 4.550 -0.009 0.000 0.343 48 Y C -0.534 175.419 175.900 0.088 0.000 0.973 48 Y CA -0.810 57.313 58.100 0.039 0.000 1.064 48 Y CB 2.394 40.861 38.460 0.012 0.000 1.207 48 Y HN 0.411 nan 8.280 nan 0.000 0.452 49 F N 3.035 123.040 119.950 0.092 0.000 2.499 49 F HA 0.376 4.901 4.527 -0.004 0.000 0.333 49 F C 0.077 175.920 175.800 0.073 0.000 1.138 49 F CA -0.976 57.054 58.000 0.051 0.000 0.945 49 F CB 0.929 39.920 39.000 -0.015 0.000 1.181 49 F HN 0.755 nan 8.300 nan 0.000 0.435 50 E N 4.474 124.546 120.200 -0.213 0.000 2.360 50 E HA -0.312 4.033 4.350 -0.010 0.000 0.238 50 E C -0.340 176.311 176.600 0.084 0.000 1.186 50 E CA 0.954 57.320 56.400 -0.057 0.000 0.719 50 E CB -0.968 28.771 29.700 0.064 0.000 1.236 50 E HN 0.833 nan 8.360 nan 0.000 0.386 51 D N -1.493 118.963 120.400 0.093 0.000 3.079 51 D HA -0.153 4.481 4.640 -0.010 0.000 0.214 51 D C -0.194 176.266 176.300 0.267 0.000 1.145 51 D CA 1.354 55.436 54.000 0.136 0.000 0.958 51 D CB -0.354 40.485 40.800 0.066 0.000 1.117 51 D HN 0.364 nan 8.370 nan 0.000 0.416 52 E N 0.364 120.720 120.200 0.261 0.000 2.197 52 E HA 0.358 4.702 4.350 -0.010 0.000 0.281 52 E C 0.182 176.835 176.600 0.088 0.000 0.995 52 E CA -0.904 55.615 56.400 0.199 0.000 0.808 52 E CB 1.609 31.374 29.700 0.107 0.000 1.093 52 E HN 0.123 nan 8.360 nan 0.000 0.394 53 L N 4.463 125.704 121.223 0.029 0.000 2.361 53 L HA 0.170 4.504 4.340 -0.010 0.000 0.278 53 L C -0.732 175.993 176.870 -0.241 0.000 1.113 53 L CA 0.175 54.833 54.840 -0.303 0.000 0.849 53 L CB 0.001 41.902 42.059 -0.262 0.000 1.155 53 L HN 0.391 nan 8.230 nan 0.000 0.452 54 L N 4.325 125.387 121.223 -0.269 0.000 2.350 54 L HA 0.400 4.734 4.340 -0.010 0.000 0.275 54 L C 0.702 177.529 176.870 -0.073 0.000 1.099 54 L CA -0.389 54.356 54.840 -0.158 0.000 0.808 54 L CB 1.327 43.349 42.059 -0.062 0.000 1.149 54 L HN 0.608 nan 8.230 nan 0.000 0.442 55 T N -0.019 114.531 114.554 -0.006 0.000 2.907 55 T HA 0.188 4.533 4.350 -0.010 0.000 0.284 55 T C 0.347 175.082 174.700 0.058 0.000 1.004 55 T CA -0.199 61.931 62.100 0.050 0.000 1.063 55 T CB 0.660 69.566 68.868 0.063 0.000 0.992 55 T HN 0.495 nan 8.240 nan 0.000 0.483 56 W N 2.922 124.299 121.300 0.127 0.000 2.770 56 W HA 0.394 5.049 4.660 -0.007 0.000 0.256 56 W C 0.559 177.128 176.519 0.083 0.000 1.291 56 W CA -0.220 57.227 57.345 0.169 0.000 1.396 56 W CB 0.204 29.734 29.460 0.118 0.000 1.114 56 W HN 0.467 nan 8.180 nan 0.000 0.637 57 I N 1.358 122.067 120.570 0.232 0.000 2.621 57 I HA 0.101 4.266 4.170 -0.010 0.000 0.276 57 I C 0.163 176.315 176.117 0.058 0.000 1.118 57 I CA -0.598 60.782 61.300 0.134 0.000 1.159 57 I CB 0.290 38.361 38.000 0.119 0.000 1.357 57 I HN -0.239 nan 8.210 nan 0.000 0.513 58 E N 4.694 124.905 120.200 0.019 0.000 2.338 58 E HA 0.132 4.476 4.350 -0.010 0.000 0.272 58 E C 0.065 176.648 176.600 -0.027 0.000 1.029 58 E CA 0.484 56.868 56.400 -0.027 0.000 0.872 58 E CB 1.254 30.919 29.700 -0.059 0.000 1.015 58 E HN 0.595 nan 8.360 nan 0.000 0.417 59 E N 1.781 121.949 120.200 -0.053 0.000 2.441 59 E HA 0.217 4.561 4.350 -0.010 0.000 0.212 59 E C 0.080 176.638 176.600 -0.069 0.000 0.840 59 E CA 0.338 56.712 56.400 -0.043 0.000 1.143 59 E CB 0.848 30.532 29.700 -0.026 0.000 1.153 59 E HN 0.717 nan 8.360 nan 0.000 0.539 60 G N 2.404 111.111 108.800 -0.157 0.000 2.943 60 G HA2 -0.166 3.789 3.960 -0.010 0.000 0.250 60 G HA3 -0.166 3.789 3.960 -0.010 0.000 0.250 60 G C -0.727 173.959 174.900 -0.356 0.000 0.996 60 G CA -0.530 44.445 45.100 -0.208 0.000 1.248 60 G HN -0.001 nan 8.290 nan 0.000 0.589 61 Q N -0.126 119.214 119.800 -0.766 0.000 2.356 61 Q HA 0.694 5.028 4.340 -0.010 0.000 0.270 61 Q C -1.251 174.005 176.000 -1.240 0.000 1.058 61 Q CA -0.830 54.547 55.803 -0.710 0.000 0.802 61 Q CB 2.349 30.923 28.738 -0.273 0.000 1.303 61 Q HN 0.495 nan 8.270 nan 0.000 0.444 62 Y N 1.282 121.077 120.300 -0.842 0.000 2.396 62 Y HA 0.583 5.127 4.550 -0.010 0.000 0.332 62 Y C -0.931 174.477 175.900 -0.821 0.000 1.034 62 Y CA -0.771 56.881 58.100 -0.748 0.000 1.057 62 Y CB 1.296 39.267 38.460 -0.815 0.000 1.220 62 Y HN 0.486 nan 8.280 nan 0.000 0.440 63 F N 2.620 122.620 119.950 0.084 0.000 2.613 63 F HA 0.716 5.239 4.527 -0.005 0.000 0.314 63 F C -0.380 175.538 175.800 0.196 0.000 1.075 63 F CA -1.354 56.754 58.000 0.180 0.000 0.945 63 F CB 2.079 41.213 39.000 0.224 0.000 1.310 63 F HN 0.360 nan 8.300 nan 0.000 0.467 64 M N 2.765 122.621 119.600 0.426 0.000 2.321 64 M HA 0.820 5.294 4.480 -0.010 0.000 0.315 64 M C -1.962 174.512 176.300 0.290 0.000 1.052 64 M CA -0.814 54.659 55.300 0.289 0.000 0.936 64 M CB 2.357 35.079 32.600 0.203 0.000 1.639 64 M HN 0.535 nan 8.290 nan 0.000 0.433 65 L N 3.010 124.361 121.223 0.214 0.000 2.346 65 L HA 0.633 4.967 4.340 -0.010 0.000 0.274 65 L C -1.137 175.767 176.870 0.058 0.000 1.007 65 L CA -0.241 54.690 54.840 0.151 0.000 0.818 65 L CB 2.005 44.160 42.059 0.160 0.000 1.284 65 L HN 0.902 nan 8.230 nan 0.000 0.424 66 N N 3.757 122.452 118.700 -0.009 0.000 2.558 66 N HA 0.185 4.919 4.740 -0.010 0.000 0.233 66 N C -0.886 174.575 175.510 -0.082 0.000 1.038 66 N CA -0.219 52.824 53.050 -0.012 0.000 0.934 66 N CB 0.346 38.831 38.487 -0.005 0.000 1.175 66 N HN 0.658 nan 8.380 nan 0.000 0.512 67 K N 4.504 124.887 120.400 -0.028 0.000 2.368 67 K HA 0.274 4.588 4.320 -0.010 0.000 0.282 67 K C -2.374 174.234 176.600 0.013 0.000 1.035 67 K CA -1.211 55.065 56.287 -0.019 0.000 0.973 67 K CB 0.734 33.262 32.500 0.046 0.000 0.957 67 K HN 0.391 nan 8.250 nan 0.000 0.474 68 P HA 0.148 nan 4.420 nan 0.000 0.284 68 P C -1.016 176.329 177.300 0.074 0.000 1.287 68 P CA -0.580 62.548 63.100 0.047 0.000 0.824 68 P CB 1.058 32.790 31.700 0.054 0.000 1.180 69 Q N -1.089 118.744 119.800 0.055 0.000 2.396 69 Q HA 0.413 4.748 4.340 -0.010 0.000 0.221 69 Q C 0.921 176.940 176.000 0.032 0.000 1.025 69 Q CA 0.342 56.160 55.803 0.026 0.000 0.946 69 Q CB -0.134 28.610 28.738 0.010 0.000 1.224 69 Q HN 0.865 nan 8.270 nan 0.000 0.539 70 G N -0.476 108.305 108.800 -0.032 0.000 2.143 70 G HA2 -0.271 3.683 3.960 -0.010 0.000 0.249 70 G HA3 -0.271 3.683 3.960 -0.010 0.000 0.249 70 G C -0.065 174.849 174.900 0.023 0.000 0.981 70 G CA 0.073 45.161 45.100 -0.020 0.000 0.665 70 G HN 0.877 nan 8.290 nan 0.000 0.528 71 C N -1.469 117.839 119.300 0.014 0.000 3.086 71 C HA 0.926 5.381 4.460 -0.010 0.000 0.311 71 C C 0.349 175.379 174.990 0.066 0.000 1.260 71 C CA -0.603 58.470 59.018 0.091 0.000 1.426 71 C CB 1.587 29.429 27.740 0.170 0.000 1.826 71 C HN 1.588 nan 8.230 nan 0.000 0.474 72 V N -1.416 118.572 119.914 0.124 0.000 3.096 72 V HA 0.679 4.793 4.120 -0.010 0.000 0.319 72 V C 0.200 176.390 176.094 0.160 0.000 1.103 72 V CA -0.475 61.903 62.300 0.130 0.000 1.016 72 V CB 1.210 33.139 31.823 0.176 0.000 1.090 72 V HN 1.077 nan 8.190 nan 0.000 0.449 73 C N 1.672 121.069 119.300 0.162 0.000 2.336 73 C HA 0.543 4.997 4.460 -0.010 0.000 0.332 73 C C 0.942 176.109 174.990 0.296 0.000 1.375 73 C CA -0.200 58.930 59.018 0.187 0.000 1.785 73 C CB -2.311 25.516 27.740 0.145 0.000 2.407 73 C HN 0.820 nan 8.230 nan 0.000 0.562 74 S N 0.911 116.797 115.700 0.309 0.000 2.549 74 S HA 0.198 4.662 4.470 -0.010 0.000 0.297 74 S C 0.714 175.504 174.600 0.316 0.000 1.115 74 S CA -0.469 57.901 58.200 0.283 0.000 1.059 74 S CB 1.169 64.483 63.200 0.190 0.000 1.046 74 S HN 0.518 nan 8.310 nan 0.000 0.506 75 N N 1.530 120.307 118.700 0.129 0.000 2.289 75 N HA -0.024 4.710 4.740 -0.010 0.000 0.184 75 N C 0.033 175.533 175.510 -0.017 0.000 1.016 75 N CA 1.164 54.094 53.050 -0.200 0.000 0.872 75 N CB 0.160 38.528 38.487 -0.200 0.000 0.973 75 N HN 0.536 nan 8.380 nan 0.000 0.433 80 Y N 0.595 120.926 120.300 0.053 0.000 2.536 80 Y HA 0.616 5.161 4.550 -0.010 0.000 0.347 80 Y C -2.070 173.866 175.900 0.059 0.000 1.000 80 Y CA -1.978 56.156 58.100 0.056 0.000 1.051 80 Y CB 0.859 39.358 38.460 0.066 0.000 1.259 80 Y HN -0.272 nan 8.280 nan 0.000 0.468 81 P HA 0.216 nan 4.420 nan 0.000 0.273 81 P C -0.409 176.978 177.300 0.145 0.000 1.250 81 P CA -0.387 62.790 63.100 0.129 0.000 0.793 81 P CB 0.528 32.272 31.700 0.073 0.000 1.011 82 T N -2.947 111.676 114.554 0.116 0.000 2.940 82 T HA 0.406 4.750 4.350 -0.010 0.000 0.288 82 T C 1.317 176.065 174.700 0.080 0.000 1.045 82 T CA -0.821 61.378 62.100 0.165 0.000 1.018 82 T CB 0.564 69.610 68.868 0.297 0.000 1.151 82 T HN 0.398 nan 8.240 nan 0.000 0.529 83 I N -1.575 119.052 120.570 0.094 0.000 2.756 83 I HA -0.003 4.162 4.170 -0.010 0.000 0.262 83 I C 1.431 177.558 176.117 0.017 0.000 1.225 83 I CA 0.859 62.233 61.300 0.123 0.000 1.472 83 I CB -0.763 37.251 38.000 0.024 0.000 1.094 83 I HN 0.574 nan 8.210 nan 0.000 0.454 84 Y N 2.471 122.853 120.300 0.136 0.000 2.616 84 Y HA -0.117 4.426 4.550 -0.011 0.000 0.296 84 Y C 2.747 178.705 175.900 0.097 0.000 1.154 84 Y CA 1.069 59.237 58.100 0.113 0.000 1.325 84 Y CB -0.553 37.906 38.460 -0.001 0.000 1.007 84 Y HN 0.458 nan 8.280 nan 0.000 0.542 85 Q N -0.963 118.831 119.800 -0.010 0.000 2.297 85 Q HA -0.132 4.202 4.340 -0.010 0.000 0.204 85 Q C 0.750 176.623 176.000 -0.213 0.000 0.962 85 Q CA 1.300 57.009 55.803 -0.157 0.000 0.879 85 Q CB -0.578 27.921 28.738 -0.397 0.000 0.947 85 Q HN 0.408 nan 8.270 nan 0.000 0.462 86 F N -0.068 119.958 119.950 0.128 0.000 2.811 86 F HA 0.292 4.813 4.527 -0.010 0.000 0.301 86 F C -0.058 175.613 175.800 -0.215 0.000 1.151 86 F CA -0.226 57.754 58.000 -0.035 0.000 1.412 86 F CB 0.157 39.092 39.000 -0.108 0.000 1.113 86 F HN -0.081 nan 8.300 nan 0.000 0.579 87 F N -0.408 119.582 119.950 0.066 0.000 2.546 87 F HA 0.376 4.898 4.527 -0.009 0.000 0.320 87 F C 0.310 176.107 175.800 -0.005 0.000 1.076 87 F CA -1.527 56.450 58.000 -0.038 0.000 0.928 87 F CB 0.857 39.697 39.000 -0.268 0.000 1.189 87 F HN -0.309 nan 8.300 nan 0.000 0.465 88 D N 0.384 120.898 120.400 0.189 0.000 2.294 88 D HA 0.179 4.813 4.640 -0.010 0.000 0.250 88 D C -0.809 175.563 176.300 0.120 0.000 1.058 88 D CA -0.013 54.099 54.000 0.188 0.000 0.950 88 D CB 1.119 42.016 40.800 0.161 0.000 1.158 88 D HN 0.278 nan 8.370 nan 0.000 0.453 89 Y N 0.725 121.080 120.300 0.093 0.000 2.335 89 Y HA 0.202 4.747 4.550 -0.008 0.000 0.323 89 Y C -0.682 175.257 175.900 0.064 0.000 1.224 89 Y CA -1.488 56.655 58.100 0.072 0.000 1.241 89 Y CB 0.392 38.884 38.460 0.053 0.000 1.235 89 Y HN 0.221 nan 8.280 nan 0.000 0.492 90 P HA -0.036 nan 4.420 nan 0.000 0.249 90 P C 1.335 178.629 177.300 -0.010 0.000 1.229 90 P CA 0.410 63.594 63.100 0.139 0.000 0.788 90 P CB 0.389 32.163 31.700 0.123 0.000 1.072 91 L N 1.274 122.485 121.223 -0.022 0.000 2.012 91 L HA -0.122 4.212 4.340 -0.010 0.000 0.210 91 L C 2.465 179.210 176.870 -0.208 0.000 1.073 91 L CA 2.115 56.919 54.840 -0.060 0.000 0.748 91 L CB -1.361 40.702 42.059 0.007 0.000 0.891 91 L HN 0.012 nan 8.230 nan 0.000 0.431 92 A N -0.535 122.073 122.820 -0.354 0.000 1.948 92 A HA -0.154 4.160 4.320 -0.010 0.000 0.220 92 A C 2.230 179.551 177.584 -0.438 0.000 1.177 92 A CA 1.678 53.430 52.037 -0.476 0.000 0.636 92 A CB -1.583 16.924 19.000 -0.820 0.000 0.815 92 A HN 0.559 nan 8.150 nan 0.000 0.449 93 G N -1.199 107.344 108.800 -0.430 0.000 2.848 93 G HA2 0.010 3.964 3.960 -0.010 0.000 0.208 93 G HA3 0.010 3.964 3.960 -0.010 0.000 0.208 93 G C 1.319 176.161 174.900 -0.096 0.000 1.152 93 G CA 0.673 45.668 45.100 -0.176 0.000 0.789 93 G HN 0.611 nan 8.290 nan 0.000 0.531 94 K N -0.634 119.705 120.400 -0.102 0.000 2.353 94 K HA 0.320 4.634 4.320 -0.010 0.000 0.195 94 K C 0.289 176.861 176.600 -0.046 0.000 1.031 94 K CA -0.111 56.149 56.287 -0.044 0.000 1.079 94 K CB 0.543 33.027 32.500 -0.027 0.000 0.857 94 K HN 0.218 nan 8.250 nan 0.000 0.535 95 L N 1.701 122.871 121.223 -0.089 0.000 2.352 95 L HA 0.406 4.740 4.340 -0.010 0.000 0.269 95 L C 0.277 177.212 176.870 0.109 0.000 1.034 95 L CA -1.057 53.747 54.840 -0.060 0.000 0.806 95 L CB 1.085 43.028 42.059 -0.194 0.000 1.244 95 L HN 0.192 nan 8.230 nan 0.000 0.447 96 H N -0.662 118.468 119.070 0.099 0.000 2.943 96 H HA 0.602 5.152 4.556 -0.011 0.000 0.323 96 H C -1.229 174.216 175.328 0.195 0.000 1.296 96 H CA -0.938 55.223 56.048 0.188 0.000 1.155 96 H CB 1.531 31.362 29.762 0.115 0.000 1.882 96 H HN 0.540 nan 8.280 nan 0.000 0.553 97 S N -0.346 115.555 115.700 0.335 0.000 2.638 97 S HA 0.700 5.164 4.470 -0.010 0.000 0.298 97 S C 0.020 174.776 174.600 0.261 0.000 1.111 97 S CA -0.457 57.866 58.200 0.207 0.000 1.027 97 S CB 1.630 64.940 63.200 0.185 0.000 1.064 97 S HN 0.933 nan 8.310 nan 0.000 0.525 98 A N 0.829 123.755 122.820 0.176 0.000 3.215 98 A HA 0.750 5.064 4.320 -0.010 0.000 0.320 98 A C 0.680 178.301 177.584 0.062 0.000 1.084 98 A CA -0.311 51.802 52.037 0.126 0.000 0.969 98 A CB -0.970 18.059 19.000 0.050 0.000 1.064 98 A HN 2.243 nan 8.150 nan 0.000 0.513 99 G N 1.138 109.998 108.800 0.099 0.000 3.199 99 G HA2 -0.048 3.906 3.960 -0.010 0.000 0.680 99 G HA3 -0.048 3.906 3.960 -0.010 0.000 0.680 99 G C -0.491 174.465 174.900 0.093 0.000 1.197 99 G CA -1.035 44.110 45.100 0.075 0.000 1.143 99 G HN 0.706 nan 8.290 nan 0.000 0.492 100 R N 0.611 121.178 120.500 0.112 0.000 2.577 100 R HA 0.753 5.088 4.340 -0.010 0.000 0.269 100 R C 0.421 176.783 176.300 0.103 0.000 1.084 100 R CA -0.363 55.806 56.100 0.115 0.000 1.163 100 R CB 0.932 31.311 30.300 0.132 0.000 1.100 100 R HN 0.439 nan 8.270 nan 0.000 0.547 101 L N 0.967 122.246 121.223 0.094 0.000 2.362 101 L HA 0.324 4.658 4.340 -0.010 0.000 0.271 101 L C -0.334 176.570 176.870 0.057 0.000 1.002 101 L CA -1.072 53.818 54.840 0.085 0.000 0.818 101 L CB 2.122 44.230 42.059 0.082 0.000 1.298 101 L HN 0.513 nan 8.230 nan 0.000 0.420 102 D N 0.686 121.097 120.400 0.018 0.000 2.361 102 D HA -0.039 4.596 4.640 -0.010 0.000 0.239 102 D C 1.024 177.293 176.300 -0.051 0.000 1.200 102 D CA -0.038 53.946 54.000 -0.027 0.000 0.915 102 D CB 1.753 42.477 40.800 -0.126 0.000 1.170 102 D HN 0.274 nan 8.370 nan 0.000 0.444 103 V N 0.979 120.829 119.914 -0.106 0.000 2.317 103 V HA -0.252 3.863 4.120 -0.010 0.000 0.251 103 V C 0.977 176.976 176.094 -0.159 0.000 1.065 103 V CA 2.061 64.241 62.300 -0.200 0.000 1.049 103 V CB -0.105 31.422 31.823 -0.493 0.000 0.651 103 V HN 0.444 nan 8.190 nan 0.000 0.450 104 D N -0.579 119.735 120.400 -0.143 0.000 2.368 104 D HA 0.144 4.778 4.640 -0.010 0.000 0.218 104 D C 0.548 176.826 176.300 -0.037 0.000 1.112 104 D CA 0.205 54.151 54.000 -0.089 0.000 0.834 104 D CB 0.337 41.079 40.800 -0.096 0.000 0.953 104 D HN 0.435 nan 8.370 nan 0.000 0.505 105 T N 0.701 115.241 114.554 -0.023 0.000 2.845 105 T HA 0.367 4.711 4.350 -0.010 0.000 0.288 105 T C 0.714 175.457 174.700 0.071 0.000 0.980 105 T CA -0.373 61.747 62.100 0.034 0.000 1.071 105 T CB 1.696 70.588 68.868 0.041 0.000 0.941 105 T HN 0.081 nan 8.240 nan 0.000 0.487 106 T N -0.233 114.398 114.554 0.128 0.000 2.938 106 T HA 0.880 5.224 4.350 -0.010 0.000 0.285 106 T C 0.478 175.238 174.700 0.099 0.000 1.028 106 T CA -0.014 62.182 62.100 0.160 0.000 1.005 106 T CB 1.566 70.588 68.868 0.257 0.000 1.157 106 T HN 1.132 nan 8.240 nan 0.000 0.550 107 G N 0.177 109.016 108.800 0.066 0.000 2.428 107 G HA2 0.136 4.090 3.960 -0.010 0.000 0.202 107 G HA3 0.136 4.090 3.960 -0.010 0.000 0.202 107 G C -0.843 174.009 174.900 -0.080 0.000 1.247 107 G CA -0.530 44.474 45.100 -0.160 0.000 1.020 107 G HN 1.281 nan 8.290 nan 0.000 0.529 108 L N 0.565 121.709 121.223 -0.131 0.000 2.654 108 L HA 0.510 4.844 4.340 -0.010 0.000 0.271 108 L C 0.300 177.156 176.870 -0.023 0.000 1.169 108 L CA 0.258 55.064 54.840 -0.056 0.000 0.947 108 L CB 0.169 42.178 42.059 -0.084 0.000 1.232 108 L HN 0.749 nan 8.230 nan 0.000 0.486 109 V N 6.867 126.801 119.914 0.034 0.000 2.531 109 V HA 0.402 4.516 4.120 -0.010 0.000 0.301 109 V C -0.054 176.104 176.094 0.107 0.000 1.034 109 V CA -0.722 61.613 62.300 0.059 0.000 0.865 109 V CB 1.808 33.667 31.823 0.060 0.000 0.995 109 V HN 0.534 nan 8.190 nan 0.000 0.424 110 L N 5.592 126.889 121.223 0.124 0.000 2.289 110 L HA 0.544 4.879 4.340 -0.010 0.000 0.285 110 L C -0.792 176.192 176.870 0.190 0.000 1.049 110 L CA -0.440 54.528 54.840 0.213 0.000 0.804 110 L CB 1.186 43.409 42.059 0.273 0.000 1.195 110 L HN 0.294 nan 8.230 nan 0.000 0.428 111 L N 2.501 123.834 121.223 0.184 0.000 2.346 111 L HA 0.732 5.067 4.340 -0.010 0.000 0.274 111 L C -0.013 176.864 176.870 0.011 0.000 1.007 111 L CA -0.078 54.785 54.840 0.038 0.000 0.818 111 L CB 1.684 43.663 42.059 -0.132 0.000 1.284 111 L HN 0.642 nan 8.230 nan 0.000 0.424 112 T N -0.304 114.125 114.554 -0.208 0.000 2.786 112 T HA 0.298 4.642 4.350 -0.010 0.000 0.316 112 T C -0.598 173.804 174.700 -0.497 0.000 1.503 112 T CA -0.395 61.469 62.100 -0.393 0.000 1.019 112 T CB 1.534 70.206 68.868 -0.326 0.000 1.415 112 T HN 0.731 nan 8.240 nan 0.000 0.496 113 D N 0.544 120.695 120.400 -0.414 0.000 2.398 113 D HA 0.162 4.796 4.640 -0.010 0.000 0.210 113 D C 0.022 176.277 176.300 -0.074 0.000 1.094 113 D CA -0.131 53.760 54.000 -0.181 0.000 0.839 113 D CB 0.263 40.975 40.800 -0.147 0.000 0.963 113 D HN 0.384 nan 8.370 nan 0.000 0.506 114 D N 0.590 120.899 120.400 -0.150 0.000 2.428 114 D HA 0.290 4.925 4.640 -0.010 0.000 0.221 114 D C 1.458 177.918 176.300 0.266 0.000 1.123 114 D CA -0.387 53.631 54.000 0.029 0.000 0.869 114 D CB 1.156 41.956 40.800 -0.000 0.000 1.032 114 D HN 0.123 nan 8.370 nan 0.000 0.506 115 G N 2.866 111.790 108.800 0.207 0.000 2.471 115 G HA2 -0.252 3.702 3.960 -0.010 0.000 0.219 115 G HA3 -0.252 3.702 3.960 -0.010 0.000 0.219 115 G C 1.128 176.079 174.900 0.086 0.000 1.125 115 G CA 0.392 45.575 45.100 0.138 0.000 0.775 115 G HN 0.528 nan 8.290 nan 0.000 0.548 116 Q N -1.134 118.717 119.800 0.085 0.000 2.083 116 Q HA -0.102 4.232 4.340 -0.010 0.000 0.198 116 Q C 2.159 178.283 176.000 0.207 0.000 0.969 116 Q CA 1.004 56.856 55.803 0.082 0.000 0.838 116 Q CB -0.230 28.540 28.738 0.053 0.000 0.900 116 Q HN 0.593 nan 8.270 nan 0.000 0.436 117 W N 1.116 122.470 121.300 0.090 0.000 2.355 117 W HA -0.205 4.443 4.660 -0.020 0.000 0.309 117 W C 2.547 179.141 176.519 0.124 0.000 1.206 117 W CA 2.432 59.849 57.345 0.120 0.000 1.284 117 W CB -0.461 29.133 29.460 0.224 0.000 1.145 117 W HN 0.271 nan 8.180 nan 0.000 0.502 118 S N -1.313 114.608 115.700 0.368 0.000 2.382 118 S HA -0.337 4.127 4.470 -0.010 0.000 0.228 118 S C 2.036 176.680 174.600 0.074 0.000 1.027 118 S CA 1.596 59.904 58.200 0.180 0.000 0.991 118 S CB -1.358 62.099 63.200 0.429 0.000 0.823 118 S HN 0.585 nan 8.310 nan 0.000 0.469 119 H N 2.111 121.196 119.070 0.025 0.000 2.389 119 H HA 0.059 4.607 4.556 -0.013 0.000 0.299 119 H C 2.289 177.597 175.328 -0.034 0.000 1.081 119 H CA 1.421 57.455 56.048 -0.024 0.000 1.345 119 H CB -0.120 29.558 29.762 -0.141 0.000 1.393 119 H HN 0.401 nan 8.280 nan 0.000 0.520 120 R N 0.008 120.451 120.500 -0.095 0.000 2.096 120 R HA -0.095 4.239 4.340 -0.010 0.000 0.235 120 R C 2.594 178.844 176.300 -0.083 0.000 1.127 120 R CA 1.376 57.410 56.100 -0.111 0.000 0.968 120 R CB -0.071 30.194 30.300 -0.059 0.000 0.861 120 R HN 0.383 nan 8.270 nan 0.000 0.440 121 I N 0.231 120.662 120.570 -0.231 0.000 2.353 121 I HA -0.194 3.970 4.170 -0.010 0.000 0.248 121 I C 2.206 178.190 176.117 -0.221 0.000 1.119 121 I CA 1.549 62.668 61.300 -0.302 0.000 1.417 121 I CB -0.243 37.474 38.000 -0.472 0.000 1.078 121 I HN 0.269 nan 8.210 nan 0.000 0.421 122 T N -3.193 111.257 114.554 -0.174 0.000 3.086 122 T HA 0.088 4.432 4.350 -0.010 0.000 0.250 122 T C 0.959 175.578 174.700 -0.134 0.000 1.074 122 T CA -0.215 61.819 62.100 -0.109 0.000 0.988 122 T CB -0.090 68.769 68.868 -0.016 0.000 0.988 122 T HN 0.098 nan 8.240 nan 0.000 0.530 123 S N 2.678 118.222 115.700 -0.260 0.000 2.516 123 S HA 0.206 4.670 4.470 -0.010 0.000 0.282 123 S C -1.420 173.119 174.600 -0.101 0.000 1.286 123 S CA -1.222 56.818 58.200 -0.267 0.000 1.066 123 S CB 0.895 63.844 63.200 -0.418 0.000 0.884 123 S HN 0.081 nan 8.310 nan 0.000 0.491 124 P HA -0.079 nan 4.420 nan 0.000 0.216 124 P C 1.751 179.057 177.300 0.009 0.000 1.150 124 P CA 1.956 65.060 63.100 0.008 0.000 0.837 124 P CB -0.040 31.677 31.700 0.029 0.000 0.786 125 K N -0.386 120.002 120.400 -0.020 0.000 2.063 125 K HA -0.247 4.067 4.320 -0.010 0.000 0.208 125 K C 2.051 178.533 176.600 -0.196 0.000 1.048 125 K CA 2.139 58.398 56.287 -0.048 0.000 0.928 125 K CB -2.307 30.166 32.500 -0.045 0.000 0.713 125 K HN 0.415 nan 8.250 nan 0.000 0.442 126 H N -0.346 118.523 119.070 -0.334 0.000 2.547 126 H HA -0.046 4.507 4.556 -0.006 0.000 0.272 126 H C 0.045 174.973 175.328 -0.667 0.000 0.989 126 H CA 0.486 56.239 56.048 -0.493 0.000 1.214 126 H CB -0.226 29.355 29.762 -0.300 0.000 1.389 126 H HN 0.922 nan 8.280 nan 0.000 0.577 127 H N -1.619 117.456 119.070 0.008 0.000 2.284 127 H HA -0.214 4.338 4.556 -0.007 0.000 0.322 127 H C -0.241 175.000 175.328 -0.144 0.000 0.973 127 H CA 0.278 56.292 56.048 -0.056 0.000 1.076 127 H CB -2.804 26.943 29.762 -0.025 0.000 1.596 127 H HN 0.210 nan 8.280 nan 0.000 0.361 128 C N 2.060 121.274 119.300 -0.144 0.000 2.648 128 C HA 0.127 4.581 4.460 -0.010 0.000 0.419 128 C C 0.946 175.863 174.990 -0.122 0.000 1.352 128 C CA -0.272 58.601 59.018 -0.242 0.000 1.816 128 C CB -0.450 27.086 27.740 -0.340 0.000 2.598 128 C HN 0.827 nan 8.230 nan 0.000 0.598 129 E N 4.068 124.194 120.200 -0.123 0.000 2.289 129 E HA 0.243 4.587 4.350 -0.010 0.000 0.278 129 E C -0.527 175.973 176.600 -0.166 0.000 1.032 129 E CA 0.173 56.506 56.400 -0.112 0.000 0.854 129 E CB 0.811 30.445 29.700 -0.109 0.000 1.046 129 E HN 0.577 nan 8.360 nan 0.000 0.409 130 K N 1.956 122.269 120.400 -0.146 0.000 2.376 130 K HA 0.331 4.645 4.320 -0.010 0.000 0.257 130 K C -0.953 175.452 176.600 -0.325 0.000 0.939 130 K CA -0.488 55.642 56.287 -0.262 0.000 0.809 130 K CB 2.047 34.458 32.500 -0.149 0.000 1.121 130 K HN 0.309 nan 8.250 nan 0.000 0.425 131 T N 2.612 116.805 114.554 -0.600 0.000 2.797 131 T HA 0.416 4.761 4.350 -0.010 0.000 0.279 131 T C -1.076 173.173 174.700 -0.752 0.000 0.991 131 T CA -0.514 61.234 62.100 -0.586 0.000 0.979 131 T CB 0.283 68.661 68.868 -0.816 0.000 0.943 131 T HN 0.260 nan 8.240 nan 0.000 0.444 132 Y N 1.620 121.842 120.300 -0.129 0.000 2.429 132 Y HA 0.590 5.134 4.550 -0.009 0.000 0.342 132 Y C -0.192 175.861 175.900 0.255 0.000 1.004 132 Y CA -1.503 56.626 58.100 0.047 0.000 1.075 132 Y CB 1.282 39.774 38.460 0.053 0.000 1.214 132 Y HN 0.438 nan 8.280 nan 0.000 0.455 133 L N 4.224 125.768 121.223 0.535 0.000 2.260 133 L HA 0.601 4.936 4.340 -0.010 0.000 0.289 133 L C -1.135 175.901 176.870 0.277 0.000 1.057 133 L CA -0.408 54.683 54.840 0.418 0.000 0.811 133 L CB 0.220 42.501 42.059 0.369 0.000 1.184 133 L HN 0.418 nan 8.230 nan 0.000 0.429 134 V N 4.255 124.271 119.914 0.170 0.000 2.370 134 V HA 0.495 4.610 4.120 -0.010 0.000 0.283 134 V C 0.275 176.344 176.094 -0.041 0.000 1.023 134 V CA -0.491 61.829 62.300 0.034 0.000 0.857 134 V CB 1.430 33.205 31.823 -0.081 0.000 0.985 134 V HN 0.822 nan 8.190 nan 0.000 0.443 135 T N 6.734 121.267 114.554 -0.035 0.000 2.771 135 T HA 0.681 5.025 4.350 -0.010 0.000 0.281 135 T C -0.264 174.400 174.700 -0.060 0.000 0.982 135 T CA -0.272 61.814 62.100 -0.022 0.000 0.978 135 T CB 0.907 69.777 68.868 0.003 0.000 0.930 135 T HN 0.358 nan 8.240 nan 0.000 0.447 136 L N 1.795 123.003 121.223 -0.025 0.000 2.334 136 L HA 0.603 4.937 4.340 -0.010 0.000 0.272 136 L C 1.562 178.494 176.870 0.104 0.000 1.020 136 L CA -1.072 53.761 54.840 -0.012 0.000 0.812 136 L CB 1.149 43.182 42.059 -0.044 0.000 1.264 136 L HN 0.749 nan 8.230 nan 0.000 0.439 137 A N 0.794 123.661 122.820 0.079 0.000 1.898 137 A HA -0.033 4.282 4.320 -0.010 0.000 0.216 137 A C 0.540 178.229 177.584 0.175 0.000 1.181 137 A CA 1.074 53.162 52.037 0.085 0.000 0.620 137 A CB -0.223 18.811 19.000 0.056 0.000 0.819 137 A HN 0.763 nan 8.150 nan 0.000 0.442 138 D N -1.212 119.307 120.400 0.199 0.000 2.340 138 D HA 0.476 5.111 4.640 -0.010 0.000 0.243 138 D C -2.859 173.529 176.300 0.147 0.000 0.988 138 D CA -1.768 52.366 54.000 0.223 0.000 0.959 138 D CB 0.512 41.397 40.800 0.142 0.000 1.226 138 D HN -0.089 nan 8.370 nan 0.000 0.509 139 P HA -0.011 nan 4.420 nan 0.000 0.269 139 P C -0.152 176.989 177.300 -0.265 0.000 1.215 139 P CA -0.375 62.481 63.100 -0.408 0.000 0.780 139 P CB 0.481 31.967 31.700 -0.355 0.000 0.898 140 V N -0.015 119.697 119.914 -0.337 0.000 2.740 140 V HA 0.219 4.333 4.120 -0.010 0.000 0.303 140 V C 0.290 175.997 176.094 -0.646 0.000 1.054 140 V CA -0.044 61.997 62.300 -0.431 0.000 1.106 140 V CB 0.123 31.803 31.823 -0.239 0.000 0.957 140 V HN 0.331 nan 8.190 nan 0.000 0.486 141 E N 2.439 121.863 120.200 -1.292 0.000 2.227 141 E HA 0.247 4.591 4.350 -0.010 0.000 0.268 141 E C 0.748 177.048 176.600 -0.499 0.000 0.990 141 E CA -0.463 55.488 56.400 -0.749 0.000 0.856 141 E CB 1.869 31.236 29.700 -0.556 0.000 1.159 141 E HN 0.923 nan 8.360 nan 0.000 0.401 142 E N 1.681 121.749 120.200 -0.221 0.000 2.209 142 E HA -0.208 4.137 4.350 -0.010 0.000 0.196 142 E C 1.085 177.675 176.600 -0.017 0.000 0.993 142 E CA 1.197 57.538 56.400 -0.099 0.000 0.819 142 E CB 0.165 29.829 29.700 -0.060 0.000 0.745 142 E HN 0.419 nan 8.360 nan 0.000 0.477 143 N N -0.334 118.385 118.700 0.033 0.000 2.467 143 N HA -0.143 4.592 4.740 -0.010 0.000 0.184 143 N C 1.098 176.751 175.510 0.238 0.000 1.106 143 N CA 0.379 53.501 53.050 0.120 0.000 0.892 143 N CB -0.347 38.213 38.487 0.121 0.000 0.969 143 N HN 0.175 nan 8.380 nan 0.000 0.454 144 Y N 2.059 122.379 120.300 0.032 0.000 2.097 144 Y HA -0.150 4.394 4.550 -0.010 0.000 0.282 144 Y C 3.089 179.007 175.900 0.029 0.000 1.152 144 Y CA 0.633 58.762 58.100 0.048 0.000 1.136 144 Y CB -1.155 37.381 38.460 0.126 0.000 0.975 144 Y HN 0.165 nan 8.280 nan 0.000 0.498 145 S N -0.300 115.528 115.700 0.213 0.000 2.359 145 S HA -0.231 4.233 4.470 -0.010 0.000 0.224 145 S C 2.313 176.955 174.600 0.069 0.000 1.035 145 S CA 1.447 59.719 58.200 0.121 0.000 1.018 145 S CB -0.594 62.661 63.200 0.090 0.000 0.876 145 S HN 0.453 nan 8.310 nan 0.000 0.448 146 A N 1.084 123.941 122.820 0.062 0.000 1.930 146 A HA 0.244 4.559 4.320 -0.010 0.000 0.217 146 A C 2.430 180.024 177.584 0.016 0.000 1.175 146 A CA 1.785 53.842 52.037 0.033 0.000 0.627 146 A CB -1.254 17.765 19.000 0.032 0.000 0.815 146 A HN 0.747 nan 8.150 nan 0.000 0.443 147 A N -0.968 121.863 122.820 0.019 0.000 1.898 147 A HA -0.159 4.156 4.320 -0.010 0.000 0.216 147 A C 2.301 179.849 177.584 -0.060 0.000 1.181 147 A CA 1.651 53.673 52.037 -0.024 0.000 0.620 147 A CB -1.239 17.735 19.000 -0.042 0.000 0.819 147 A HN 0.583 nan 8.150 nan 0.000 0.442 148 C N -1.074 118.189 119.300 -0.062 0.000 2.429 148 C HA 0.079 4.533 4.460 -0.010 0.000 0.277 148 C C 3.325 178.288 174.990 -0.045 0.000 1.262 148 C CA 0.785 59.755 59.018 -0.081 0.000 1.733 148 C CB -1.280 26.424 27.740 -0.059 0.000 2.010 148 C HN 0.699 nan 8.230 nan 0.000 0.483 149 A N 0.376 123.185 122.820 -0.018 0.000 1.930 149 A HA -0.188 4.127 4.320 -0.010 0.000 0.217 149 A C 2.014 179.584 177.584 -0.022 0.000 1.175 149 A CA 2.113 54.141 52.037 -0.014 0.000 0.627 149 A CB -0.499 18.500 19.000 -0.001 0.000 0.815 149 A HN 0.599 nan 8.150 nan 0.000 0.443 150 E N -0.840 119.346 120.200 -0.022 0.000 2.112 150 E HA 0.305 4.649 4.350 -0.010 0.000 0.190 150 E C 0.790 177.371 176.600 -0.032 0.000 0.979 150 E CA 1.070 57.456 56.400 -0.023 0.000 0.814 150 E CB -0.105 29.585 29.700 -0.018 0.000 0.762 150 E HN 0.984 nan 8.360 nan 0.000 0.460 151 G N -0.638 108.135 108.800 -0.045 0.000 2.592 151 G HA2 -0.005 3.949 3.960 -0.010 0.000 0.685 151 G HA3 -0.005 3.949 3.960 -0.010 0.000 0.685 151 G C -0.914 173.949 174.900 -0.062 0.000 1.278 151 G CA -0.375 44.693 45.100 -0.053 0.000 0.822 151 G HN 0.138 nan 8.290 nan 0.000 0.652 152 I N 1.204 121.728 120.570 -0.076 0.000 2.436 152 I HA 0.420 4.584 4.170 -0.010 0.000 0.289 152 I C -0.117 175.963 176.117 -0.062 0.000 1.010 152 I CA -1.028 60.224 61.300 -0.081 0.000 1.098 152 I CB 1.879 39.803 38.000 -0.126 0.000 1.266 152 I HN 0.507 nan 8.210 nan 0.000 0.434 153 L N 7.968 129.163 121.223 -0.047 0.000 2.283 153 L HA 0.437 4.771 4.340 -0.010 0.000 0.287 153 L C -0.682 176.167 176.870 -0.035 0.000 1.073 153 L CA 0.215 55.034 54.840 -0.035 0.000 0.822 153 L CB 0.169 42.213 42.059 -0.026 0.000 1.186 153 L HN 0.418 nan 8.230 nan 0.000 0.436 154 L N 5.018 126.222 121.223 -0.032 0.000 2.343 154 L HA 0.518 4.852 4.340 -0.010 0.000 0.275 154 L C 0.617 177.479 176.870 -0.013 0.000 1.056 154 L CA -0.909 53.916 54.840 -0.025 0.000 0.804 154 L CB 0.880 42.925 42.059 -0.023 0.000 1.203 154 L HN 0.518 nan 8.230 nan 0.000 0.440 155 R N 1.026 121.522 120.500 -0.007 0.000 2.570 155 R HA 0.246 4.581 4.340 -0.010 0.000 0.277 155 R C 0.968 177.267 176.300 -0.001 0.000 1.039 155 R CA 0.923 57.021 56.100 -0.003 0.000 1.065 155 R CB 0.247 30.549 30.300 0.002 0.000 0.964 155 R HN 0.980 nan 8.270 nan 0.000 0.428 156 G N 1.389 110.185 108.800 -0.007 0.000 2.175 156 G HA2 -0.203 3.751 3.960 -0.010 0.000 0.244 156 G HA3 -0.203 3.751 3.960 -0.010 0.000 0.244 156 G C -0.166 174.725 174.900 -0.014 0.000 0.982 156 G CA -0.253 44.840 45.100 -0.013 0.000 0.641 156 G HN 0.514 nan 8.290 nan 0.000 0.527 157 E N -0.316 119.877 120.200 -0.011 0.000 2.227 157 E HA 0.509 4.853 4.350 -0.010 0.000 0.268 157 E C 0.472 177.064 176.600 -0.012 0.000 0.907 157 E CA -0.448 55.946 56.400 -0.011 0.000 0.786 157 E CB 1.887 31.582 29.700 -0.009 0.000 1.191 157 E HN 0.069 nan 8.360 nan 0.000 0.411 158 K N 1.463 121.856 120.400 -0.012 0.000 2.323 158 K HA 0.053 4.368 4.320 -0.010 0.000 0.197 158 K C 0.063 176.656 176.600 -0.010 0.000 1.043 158 K CA 0.836 57.117 56.287 -0.011 0.000 0.997 158 K CB 0.320 32.814 32.500 -0.010 0.000 0.807 158 K HN 0.397 nan 8.250 nan 0.000 0.497 159 E N 0.765 120.959 120.200 -0.011 0.000 2.312 159 E HA 0.449 4.793 4.350 -0.010 0.000 0.267 159 E C -2.694 173.897 176.600 -0.016 0.000 0.894 159 E CA -2.599 53.794 56.400 -0.012 0.000 0.773 159 E CB 1.774 31.469 29.700 -0.008 0.000 1.241 159 E HN 0.211 nan 8.360 nan 0.000 0.432 160 P HA 0.045 nan 4.420 nan 0.000 0.274 160 P C -0.104 177.177 177.300 -0.031 0.000 1.246 160 P CA -0.274 62.809 63.100 -0.028 0.000 0.795 160 P CB 0.230 31.913 31.700 -0.029 0.000 1.006 161 T N -1.169 113.360 114.554 -0.043 0.000 2.926 161 T HA 0.158 4.502 4.350 -0.010 0.000 0.307 161 T C 0.470 175.146 174.700 -0.041 0.000 1.059 161 T CA -0.572 61.501 62.100 -0.045 0.000 1.122 161 T CB 0.149 68.977 68.868 -0.068 0.000 0.972 161 T HN 0.246 nan 8.240 nan 0.000 0.545 162 K N 2.664 123.044 120.400 -0.034 0.000 2.319 162 K HA 0.217 4.531 4.320 -0.010 0.000 0.265 162 K C -2.362 174.212 176.600 -0.043 0.000 1.000 162 K CA -1.422 54.844 56.287 -0.035 0.000 0.943 162 K CB -0.156 32.325 32.500 -0.031 0.000 0.950 162 K HN 0.438 nan 8.250 nan 0.000 0.485 163 P HA -0.102 nan 4.420 nan 0.000 0.261 163 P C -1.367 175.909 177.300 -0.041 0.000 1.173 163 P CA 0.525 63.599 63.100 -0.042 0.000 0.760 163 P CB 0.601 32.276 31.700 -0.042 0.000 0.783 164 A N 3.033 125.832 122.820 -0.034 0.000 2.435 164 A HA 0.574 4.889 4.320 -0.010 0.000 0.304 164 A C -0.671 176.911 177.584 -0.003 0.000 1.064 164 A CA -0.769 51.256 52.037 -0.021 0.000 0.727 164 A CB 1.293 20.278 19.000 -0.026 0.000 1.284 164 A HN 0.432 nan 8.150 nan 0.000 0.415 165 K N 1.663 122.070 120.400 0.013 0.000 2.234 165 K HA 0.535 4.850 4.320 -0.010 0.000 0.277 165 K C -1.577 175.064 176.600 0.068 0.000 1.038 165 K CA -0.464 55.842 56.287 0.032 0.000 0.888 165 K CB 0.746 33.260 32.500 0.022 0.000 1.091 165 K HN 0.571 nan 8.250 nan 0.000 0.467 166 L N 3.859 125.132 121.223 0.084 0.000 2.307 166 L HA 0.370 4.704 4.340 -0.010 0.000 0.284 166 L C -0.967 175.976 176.870 0.122 0.000 1.023 166 L CA 0.005 54.924 54.840 0.132 0.000 0.810 166 L CB 1.550 43.704 42.059 0.160 0.000 1.231 166 L HN 0.748 nan 8.230 nan 0.000 0.423 167 E N 5.537 125.820 120.200 0.139 0.000 2.185 167 E HA 0.381 4.725 4.350 -0.010 0.000 0.261 167 E C -1.241 175.427 176.600 0.114 0.000 0.879 167 E CA -0.606 55.864 56.400 0.117 0.000 0.756 167 E CB 1.088 30.865 29.700 0.129 0.000 1.152 167 E HN 0.663 nan 8.360 nan 0.000 0.416 168 I N 6.416 127.037 120.570 0.084 0.000 2.396 168 I HA 0.049 4.214 4.170 -0.010 0.000 0.289 168 I C 1.037 177.179 176.117 0.042 0.000 1.056 168 I CA -0.121 61.215 61.300 0.060 0.000 1.365 168 I CB 0.832 38.851 38.000 0.031 0.000 1.407 168 I HN 0.674 nan 8.210 nan 0.000 0.509 169 L N 4.741 125.987 121.223 0.038 0.000 2.200 169 L HA 0.125 4.459 4.340 -0.010 0.000 0.200 169 L C 0.195 177.070 176.870 0.008 0.000 1.072 169 L CA 0.631 55.485 54.840 0.024 0.000 0.787 169 L CB -0.184 41.891 42.059 0.025 0.000 0.957 169 L HN 0.745 nan 8.230 nan 0.000 0.459 170 D N -3.854 116.547 120.400 0.002 0.000 2.838 170 D HA 0.065 4.699 4.640 -0.010 0.000 0.334 170 D C -0.104 176.152 176.300 -0.073 0.000 1.315 170 D CA -0.606 53.387 54.000 -0.012 0.000 0.917 170 D CB 0.136 40.954 40.800 0.029 0.000 1.435 170 D HN -0.274 nan 8.370 nan 0.000 0.517 171 D N -1.375 118.934 120.400 -0.151 0.000 2.309 171 D HA -0.083 4.551 4.640 -0.010 0.000 0.212 171 D C 0.397 176.287 176.300 -0.682 0.000 0.968 171 D CA 1.349 55.085 54.000 -0.440 0.000 0.882 171 D CB 0.084 40.517 40.800 -0.612 0.000 0.918 171 D HN 0.392 nan 8.370 nan 0.000 0.503 172 Y N -0.597 119.688 120.300 -0.024 0.000 2.527 172 Y HA 0.269 4.813 4.550 -0.010 0.000 0.247 172 Y C 0.383 176.259 175.900 -0.041 0.000 1.138 172 Y CA -0.490 57.592 58.100 -0.031 0.000 1.228 172 Y CB 0.612 39.054 38.460 -0.030 0.000 1.252 172 Y HN -0.240 nan 8.280 nan 0.000 0.531 173 N N 0.921 119.660 118.700 0.065 0.000 2.260 173 N HA 0.619 5.353 4.740 -0.010 0.000 0.293 173 N C -1.422 174.110 175.510 0.037 0.000 1.058 173 N CA -0.339 52.736 53.050 0.042 0.000 0.824 173 N CB 3.426 41.943 38.487 0.050 0.000 1.551 173 N HN -0.052 nan 8.380 nan 0.000 0.475 174 V N -0.435 119.509 119.914 0.050 0.000 3.159 174 V HA 0.631 4.746 4.120 -0.010 0.000 0.308 174 V C -1.014 175.180 176.094 0.167 0.000 1.190 174 V CA -0.957 61.405 62.300 0.103 0.000 1.037 174 V CB 2.442 34.343 31.823 0.130 0.000 1.060 174 V HN 0.483 nan 8.190 nan 0.000 0.437 175 N N 1.779 120.606 118.700 0.212 0.000 2.400 175 N HA 0.724 5.459 4.740 -0.010 0.000 0.288 175 N C -1.382 174.274 175.510 0.245 0.000 1.024 175 N CA -0.200 53.025 53.050 0.292 0.000 0.894 175 N CB 1.901 40.604 38.487 0.359 0.000 1.173 175 N HN 0.842 nan 8.380 nan 0.000 0.487 176 L N 1.831 123.209 121.223 0.258 0.000 2.349 176 L HA 0.493 4.827 4.340 -0.010 0.000 0.278 176 L C -0.624 176.353 176.870 0.179 0.000 0.996 176 L CA -0.210 54.766 54.840 0.225 0.000 0.825 176 L CB 1.679 43.910 42.059 0.286 0.000 1.243 176 L HN 0.379 nan 8.230 nan 0.000 0.412 177 T N 6.870 121.481 114.554 0.095 0.000 2.758 177 T HA 0.653 4.998 4.350 -0.010 0.000 0.285 177 T C -0.235 174.488 174.700 0.038 0.000 0.981 177 T CA -0.177 61.942 62.100 0.032 0.000 0.965 177 T CB 0.416 69.266 68.868 -0.030 0.000 0.927 177 T HN 0.573 nan 8.240 nan 0.000 0.448 178 I N 0.125 120.732 120.570 0.062 0.000 2.689 178 I HA 0.682 4.846 4.170 -0.010 0.000 0.299 178 I C 0.491 176.620 176.117 0.020 0.000 1.059 178 I CA -1.027 60.297 61.300 0.039 0.000 1.055 178 I CB 2.436 40.468 38.000 0.052 0.000 1.243 178 I HN 0.514 nan 8.210 nan 0.000 0.425 179 S N 2.016 117.716 115.700 0.000 0.000 2.537 179 S HA 0.385 4.850 4.470 -0.010 0.000 0.246 179 S C -0.103 174.513 174.600 0.026 0.000 1.036 179 S CA -0.351 57.852 58.200 0.005 0.000 1.041 179 S CB -0.761 62.432 63.200 -0.011 0.000 0.799 179 S HN 0.884 nan 8.310 nan 0.000 0.456 180 E N -0.984 119.232 120.200 0.027 0.000 2.449 180 E HA 0.641 4.985 4.350 -0.010 0.000 0.278 180 E C -0.735 175.887 176.600 0.037 0.000 1.059 180 E CA -1.519 54.898 56.400 0.029 0.000 0.854 180 E CB 0.770 30.482 29.700 0.021 0.000 1.465 180 E HN 0.158 nan 8.360 nan 0.000 0.462 181 G N 1.263 110.085 108.800 0.037 0.000 3.829 181 G HA2 0.278 4.233 3.960 -0.010 0.000 0.289 181 G HA3 0.278 4.233 3.960 -0.010 0.000 0.289 181 G C -0.595 174.332 174.900 0.045 0.000 1.274 181 G CA -0.631 44.494 45.100 0.041 0.000 0.698 181 G HN 0.225 nan 8.290 nan 0.000 0.488 182 R N 0.019 120.540 120.500 0.035 0.000 2.726 182 R HA 0.180 4.514 4.340 -0.010 0.000 0.272 182 R C -0.273 176.083 176.300 0.092 0.000 1.097 182 R CA -0.656 55.481 56.100 0.062 0.000 1.198 182 R CB 0.916 31.242 30.300 0.043 0.000 1.114 182 R HN 0.418 nan 8.270 nan 0.000 0.550 183 Y N 1.829 122.117 120.300 -0.020 0.000 2.804 183 Y HA -0.181 4.363 4.550 -0.010 0.000 0.338 183 Y C 0.390 176.302 175.900 0.020 0.000 1.252 183 Y CA 1.018 59.088 58.100 -0.051 0.000 1.576 183 Y CB -0.618 37.753 38.460 -0.148 0.000 1.223 183 Y HN 0.651 nan 8.280 nan 0.000 0.536 184 H N 3.482 122.292 119.070 -0.433 0.000 2.690 184 H HA -0.360 4.191 4.556 -0.010 0.000 0.309 184 H C 1.785 177.015 175.328 -0.164 0.000 1.138 184 H CA 0.687 56.532 56.048 -0.338 0.000 1.142 184 H CB -0.405 29.116 29.762 -0.401 0.000 1.410 184 H HN 0.867 nan 8.280 nan 0.000 0.409 185 Q N 0.563 120.351 119.800 -0.021 0.000 2.014 185 Q HA -0.170 4.164 4.340 -0.010 0.000 0.207 185 Q C 2.174 178.126 176.000 -0.080 0.000 0.993 185 Q CA 2.457 58.233 55.803 -0.045 0.000 0.850 185 Q CB 0.080 28.784 28.738 -0.058 0.000 0.916 185 Q HN 0.492 nan 8.270 nan 0.000 0.417 186 V N 1.046 120.883 119.914 -0.128 0.000 2.343 186 V HA -0.284 3.831 4.120 -0.010 0.000 0.247 186 V C 2.230 178.351 176.094 0.044 0.000 1.051 186 V CA 2.195 64.450 62.300 -0.075 0.000 1.036 186 V CB -0.557 31.172 31.823 -0.156 0.000 0.654 186 V HN 0.347 nan 8.190 nan 0.000 0.451 187 K N -0.099 120.300 120.400 -0.003 0.000 2.026 187 K HA -0.172 4.142 4.320 -0.010 0.000 0.208 187 K C 2.399 179.027 176.600 0.046 0.000 1.048 187 K CA 1.590 57.896 56.287 0.032 0.000 0.929 187 K CB -0.257 32.217 32.500 -0.043 0.000 0.713 187 K HN 0.394 nan 8.250 nan 0.000 0.439 188 R N 0.278 120.789 120.500 0.018 0.000 2.092 188 R HA -0.014 4.320 4.340 -0.010 0.000 0.231 188 R C 2.346 178.611 176.300 -0.057 0.000 1.119 188 R CA 1.307 57.410 56.100 0.006 0.000 0.970 188 R CB -0.168 30.146 30.300 0.023 0.000 0.864 188 R HN 0.193 nan 8.270 nan 0.000 0.440 189 M N -0.539 118.982 119.600 -0.131 0.000 2.067 189 M HA -0.146 4.328 4.480 -0.010 0.000 0.260 189 M C 1.603 177.659 176.300 -0.406 0.000 1.069 189 M CA 1.785 56.903 55.300 -0.302 0.000 1.117 189 M CB -0.223 32.107 32.600 -0.450 0.000 1.334 189 M HN 0.054 nan 8.290 nan 0.000 0.407 190 F N 0.056 119.923 119.950 -0.138 0.000 2.325 190 F HA -0.026 4.495 4.527 -0.010 0.000 0.299 190 F C 2.547 178.275 175.800 -0.121 0.000 1.090 190 F CA 1.074 58.965 58.000 -0.182 0.000 1.392 190 F CB -0.875 38.044 39.000 -0.136 0.000 1.053 190 F HN 0.102 nan 8.300 nan 0.000 0.521 191 A N 0.030 122.889 122.820 0.066 0.000 1.898 191 A HA -0.020 4.294 4.320 -0.010 0.000 0.216 191 A C 2.428 180.016 177.584 0.006 0.000 1.181 191 A CA 1.516 53.581 52.037 0.047 0.000 0.620 191 A CB -1.198 17.828 19.000 0.042 0.000 0.819 191 A HN 0.269 nan 8.150 nan 0.000 0.442 192 A N -0.324 122.472 122.820 -0.040 0.000 1.972 192 A HA 0.001 4.315 4.320 -0.010 0.000 0.219 192 A C 1.945 179.494 177.584 -0.059 0.000 1.169 192 A CA 1.367 53.372 52.037 -0.053 0.000 0.635 192 A CB -0.518 18.432 19.000 -0.084 0.000 0.810 192 A HN 0.471 nan 8.150 nan 0.000 0.446 193 L N -1.389 119.769 121.223 -0.108 0.000 2.599 193 L HA 0.173 4.507 4.340 -0.010 0.000 0.230 193 L C 1.628 178.516 176.870 0.031 0.000 1.141 193 L CA 0.546 55.323 54.840 -0.105 0.000 0.877 193 L CB -0.191 41.636 42.059 -0.386 0.000 1.009 193 L HN 0.596 nan 8.230 nan 0.000 0.447 194 G N -0.230 108.598 108.800 0.047 0.000 2.157 194 G HA2 -0.251 3.703 3.960 -0.010 0.000 0.239 194 G HA3 -0.251 3.703 3.960 -0.010 0.000 0.239 194 G C 0.132 175.108 174.900 0.126 0.000 0.982 194 G CA 0.060 45.214 45.100 0.089 0.000 0.650 194 G HN 0.345 nan 8.290 nan 0.000 0.527 195 N N 0.055 118.840 118.700 0.142 0.000 2.879 195 N HA 0.721 5.455 4.740 -0.010 0.000 0.329 195 N C -0.561 175.021 175.510 0.121 0.000 1.337 195 N CA -0.292 52.857 53.050 0.166 0.000 0.844 195 N CB 1.452 40.088 38.487 0.247 0.000 1.236 195 N HN 0.289 nan 8.380 nan 0.000 0.601 196 K N 0.485 120.944 120.400 0.097 0.000 2.550 196 K HA 0.313 4.627 4.320 -0.010 0.000 0.252 196 K C -1.658 174.955 176.600 0.022 0.000 0.943 196 K CA -0.540 55.785 56.287 0.064 0.000 0.806 196 K CB 1.520 34.050 32.500 0.050 0.000 1.289 196 K HN 0.172 nan 8.250 nan 0.000 0.435 197 V N 5.123 125.044 119.914 0.012 0.000 2.455 197 V HA 0.061 4.176 4.120 -0.010 0.000 0.273 197 V C 1.026 177.106 176.094 -0.024 0.000 1.045 197 V CA -0.153 62.125 62.300 -0.036 0.000 0.976 197 V CB 0.988 32.799 31.823 -0.019 0.000 0.993 197 V HN 0.699 nan 8.190 nan 0.000 0.475 198 V N 1.882 121.780 119.914 -0.027 0.000 3.605 198 V HA 0.648 4.762 4.120 -0.010 0.000 0.284 198 V C 0.706 176.790 176.094 -0.016 0.000 1.386 198 V CA 0.615 62.904 62.300 -0.018 0.000 1.053 198 V CB 0.258 32.072 31.823 -0.015 0.000 0.857 198 V HN 0.826 nan 8.190 nan 0.000 0.436 199 G N 0.585 109.377 108.800 -0.013 0.000 2.753 199 G HA2 0.625 4.580 3.960 -0.010 0.000 0.295 199 G HA3 0.625 4.580 3.960 -0.010 0.000 0.295 199 G C -2.211 172.713 174.900 0.039 0.000 1.437 199 G CA -0.536 44.570 45.100 0.011 0.000 1.094 199 G HN 0.238 nan 8.290 nan 0.000 0.540 200 L N 1.886 123.156 121.223 0.078 0.000 2.482 200 L HA 0.725 5.059 4.340 -0.010 0.000 0.269 200 L C -1.399 175.618 176.870 0.244 0.000 0.967 200 L CA -0.883 54.038 54.840 0.135 0.000 0.851 200 L CB 1.953 44.042 42.059 0.049 0.000 1.242 200 L HN 0.758 nan 8.230 nan 0.000 0.404 201 H N 3.540 122.735 119.070 0.208 0.000 2.823 201 H HA 0.527 5.077 4.556 -0.009 0.000 0.332 201 H C -0.908 174.575 175.328 0.259 0.000 0.980 201 H CA -0.547 55.623 56.048 0.203 0.000 1.286 201 H CB 1.103 30.954 29.762 0.149 0.000 1.541 201 H HN 0.660 nan 8.280 nan 0.000 0.521 202 R N 4.712 125.071 120.500 -0.236 0.000 2.298 202 R HA 0.110 4.444 4.340 -0.010 0.000 0.310 202 R C 0.093 176.128 176.300 -0.442 0.000 1.068 202 R CA -0.275 55.555 56.100 -0.450 0.000 0.957 202 R CB 0.300 30.283 30.300 -0.529 0.000 1.003 202 R HN 0.886 nan 8.270 nan 0.000 0.454 203 W N 3.810 124.876 121.300 -0.389 0.000 2.534 203 W HA 0.355 5.010 4.660 -0.008 0.000 0.339 203 W C -0.816 175.612 176.519 -0.152 0.000 0.961 203 W CA -0.495 56.714 57.345 -0.227 0.000 1.545 203 W CB 0.343 29.776 29.460 -0.044 0.000 1.104 203 W HN 0.354 nan 8.180 nan 0.000 0.538 204 K N 1.510 121.538 120.400 -0.619 0.000 2.543 204 K HA 0.536 4.850 4.320 -0.010 0.000 0.255 204 K C -1.890 174.435 176.600 -0.458 0.000 0.934 204 K CA -0.486 55.478 56.287 -0.538 0.000 0.810 204 K CB 2.307 34.276 32.500 -0.886 0.000 1.315 204 K HN 0.001 nan 8.250 nan 0.000 0.433 205 I N 4.065 124.464 120.570 -0.285 0.000 2.468 205 I HA 0.362 4.526 4.170 -0.010 0.000 0.285 205 I C 0.682 176.682 176.117 -0.194 0.000 1.039 205 I CA -0.237 60.918 61.300 -0.242 0.000 1.074 205 I CB 1.628 39.516 38.000 -0.186 0.000 1.228 205 I HN 1.039 nan 8.210 nan 0.000 0.436 206 G N 5.841 114.520 108.800 -0.201 0.000 2.583 206 G HA2 -0.266 3.688 3.960 -0.010 0.000 0.292 206 G HA3 -0.266 3.688 3.960 -0.010 0.000 0.292 206 G C 0.267 175.088 174.900 -0.132 0.000 1.203 206 G CA 0.399 45.400 45.100 -0.164 0.000 0.987 206 G HN 0.633 nan 8.290 nan 0.000 0.554 207 D N 0.441 120.790 120.400 -0.085 0.000 2.368 207 D HA 0.298 4.932 4.640 -0.010 0.000 0.218 207 D C 0.522 176.806 176.300 -0.027 0.000 1.112 207 D CA 0.289 54.258 54.000 -0.051 0.000 0.834 207 D CB 0.800 41.586 40.800 -0.023 0.000 0.953 207 D HN 0.256 nan 8.370 nan 0.000 0.505 208 V N 1.884 121.775 119.914 -0.039 0.000 2.383 208 V HA 0.172 4.286 4.120 -0.010 0.000 0.275 208 V C 0.465 176.559 176.094 -0.000 0.000 1.036 208 V CA -0.574 61.725 62.300 0.000 0.000 0.889 208 V CB 1.883 33.719 31.823 0.022 0.000 0.985 208 V HN -0.195 nan 8.190 nan 0.000 0.459 209 V N 6.020 125.970 119.914 0.060 0.000 2.539 209 V HA 0.338 4.452 4.120 -0.010 0.000 0.292 209 V C 0.108 176.279 176.094 0.129 0.000 1.045 209 V CA -0.750 61.630 62.300 0.133 0.000 0.945 209 V CB 1.718 33.675 31.823 0.224 0.000 0.993 209 V HN 0.725 nan 8.190 nan 0.000 0.464 210 L N 4.042 125.359 121.223 0.158 0.000 2.513 210 L HA 0.161 4.495 4.340 -0.010 0.000 0.272 210 L C 0.492 177.436 176.870 0.123 0.000 1.187 210 L CA 0.476 55.394 54.840 0.129 0.000 0.895 210 L CB 0.138 42.281 42.059 0.140 0.000 1.147 210 L HN 0.707 nan 8.230 nan 0.000 0.483 211 D N 4.275 124.731 120.400 0.092 0.000 2.389 211 D HA -0.061 4.573 4.640 -0.010 0.000 0.263 211 D C 0.739 177.073 176.300 0.056 0.000 1.255 211 D CA 0.368 54.408 54.000 0.067 0.000 0.914 211 D CB 0.619 41.451 40.800 0.055 0.000 1.116 211 D HN 0.708 nan 8.370 nan 0.000 0.502 212 E N 1.398 121.625 120.200 0.044 0.000 2.472 212 E HA -0.127 4.218 4.350 -0.010 0.000 0.200 212 E C 1.522 178.124 176.600 0.003 0.000 1.046 212 E CA 0.487 56.901 56.400 0.023 0.000 0.871 212 E CB 0.151 29.850 29.700 -0.002 0.000 0.806 212 E HN 0.465 nan 8.360 nan 0.000 0.533 213 S N 0.012 115.714 115.700 0.002 0.000 2.558 213 S HA 0.065 4.530 4.470 -0.010 0.000 0.217 213 S C 0.825 175.412 174.600 -0.021 0.000 0.975 213 S CA -0.239 57.953 58.200 -0.013 0.000 0.912 213 S CB -0.058 63.134 63.200 -0.013 0.000 0.776 213 S HN 0.056 nan 8.310 nan 0.000 0.526 214 L N 2.957 124.173 121.223 -0.013 0.000 2.313 214 L HA 0.350 4.684 4.340 -0.010 0.000 0.282 214 L C 0.435 177.281 176.870 -0.039 0.000 1.092 214 L CA -0.374 54.447 54.840 -0.031 0.000 0.831 214 L CB 0.506 42.558 42.059 -0.012 0.000 1.159 214 L HN 0.200 nan 8.230 nan 0.000 0.442 215 E N 2.995 123.156 120.200 -0.065 0.000 2.371 215 E HA 0.134 4.479 4.350 -0.010 0.000 0.257 215 E C -0.257 176.283 176.600 -0.100 0.000 1.134 215 E CA -0.389 55.970 56.400 -0.068 0.000 0.919 215 E CB 0.669 30.328 29.700 -0.068 0.000 1.025 215 E HN 0.446 nan 8.360 nan 0.000 0.438 216 E N -0.164 119.979 120.200 -0.095 0.000 2.415 216 E HA 0.191 4.536 4.350 -0.010 0.000 0.263 216 E C 0.697 177.117 176.600 -0.299 0.000 0.995 216 E CA 0.691 57.002 56.400 -0.148 0.000 0.915 216 E CB 0.261 29.912 29.700 -0.082 0.000 0.951 216 E HN 0.781 nan 8.360 nan 0.000 0.449 217 G N 3.131 111.570 108.800 -0.602 0.000 2.213 217 G HA2 -0.262 3.692 3.960 -0.010 0.000 0.236 217 G HA3 -0.262 3.692 3.960 -0.010 0.000 0.236 217 G C 0.047 174.549 174.900 -0.664 0.000 0.991 217 G CA -0.118 44.229 45.100 -1.256 0.000 0.629 217 G HN 0.542 nan 8.290 nan 0.000 0.517 218 E N -0.266 119.729 120.200 -0.343 0.000 2.248 218 E HA 0.640 4.984 4.350 -0.010 0.000 0.272 218 E C -0.297 176.228 176.600 -0.126 0.000 1.008 218 E CA -0.701 55.562 56.400 -0.227 0.000 0.856 218 E CB 1.223 30.813 29.700 -0.182 0.000 1.120 218 E HN 0.635 nan 8.360 nan 0.000 0.397 219 Y N -0.944 119.230 120.300 -0.211 0.000 2.615 219 Y HA 0.687 5.231 4.550 -0.010 0.000 0.341 219 Y C -0.944 174.949 175.900 -0.012 0.000 1.089 219 Y CA -1.433 56.602 58.100 -0.108 0.000 1.049 219 Y CB 1.303 39.654 38.460 -0.182 0.000 1.296 219 Y HN 0.555 nan 8.280 nan 0.000 0.470 220 R N 0.101 120.772 120.500 0.285 0.000 2.739 220 R HA 0.752 5.086 4.340 -0.010 0.000 0.271 220 R C -3.518 173.089 176.300 0.511 0.000 1.010 220 R CA -2.151 54.097 56.100 0.247 0.000 0.897 220 R CB 2.070 32.430 30.300 0.099 0.000 1.236 220 R HN 0.378 nan 8.270 nan 0.000 0.466 221 P HA 0.121 nan 4.420 nan 0.000 0.274 221 P C -0.535 176.812 177.300 0.078 0.000 1.231 221 P CA -0.400 62.820 63.100 0.200 0.000 0.790 221 P CB 0.555 32.306 31.700 0.086 0.000 0.951 222 L N 1.204 122.414 121.223 -0.022 0.000 2.453 222 L HA 0.292 4.626 4.340 -0.010 0.000 0.261 222 L C 1.306 178.145 176.870 -0.052 0.000 1.179 222 L CA -0.272 54.564 54.840 -0.006 0.000 0.813 222 L CB 0.312 42.355 42.059 -0.027 0.000 1.110 222 L HN 0.442 nan 8.230 nan 0.000 0.466 223 T N -1.820 112.715 114.554 -0.032 0.000 2.874 223 T HA 0.095 4.439 4.350 -0.010 0.000 0.281 223 T C 0.588 175.233 174.700 -0.090 0.000 0.994 223 T CA -0.631 61.442 62.100 -0.046 0.000 1.015 223 T CB 1.503 70.360 68.868 -0.018 0.000 1.028 223 T HN 0.535 nan 8.240 nan 0.000 0.523 224 Q N 0.615 120.358 119.800 -0.094 0.000 2.170 224 Q HA -0.075 4.260 4.340 -0.010 0.000 0.203 224 Q C 2.484 178.430 176.000 -0.089 0.000 0.976 224 Q CA 1.947 57.676 55.803 -0.125 0.000 0.858 224 Q CB -0.795 27.887 28.738 -0.093 0.000 0.907 224 Q HN 0.837 nan 8.270 nan 0.000 0.433 225 S N -0.424 115.247 115.700 -0.049 0.000 2.368 225 S HA -0.190 4.274 4.470 -0.010 0.000 0.225 225 S C 1.597 176.193 174.600 -0.007 0.000 1.030 225 S CA 1.498 59.685 58.200 -0.023 0.000 0.999 225 S CB -0.156 63.038 63.200 -0.010 0.000 0.844 225 S HN 0.517 nan 8.310 nan 0.000 0.459 226 E N 0.393 120.592 120.200 -0.003 0.000 2.072 226 E HA -0.058 4.286 4.350 -0.010 0.000 0.191 226 E C 2.072 178.719 176.600 0.079 0.000 0.985 226 E CA 1.343 57.765 56.400 0.037 0.000 0.801 226 E CB -0.240 29.488 29.700 0.047 0.000 0.750 226 E HN 0.562 nan 8.360 nan 0.000 0.452 227 I N 1.391 121.951 120.570 -0.017 0.000 2.163 227 I HA -0.290 3.874 4.170 -0.010 0.000 0.243 227 I C 2.264 178.466 176.117 0.142 0.000 1.085 227 I CA 1.389 62.656 61.300 -0.055 0.000 1.347 227 I CB -0.258 37.394 38.000 -0.580 0.000 1.044 227 I HN 0.105 nan 8.210 nan 0.000 0.408 228 E N 0.768 120.981 120.200 0.021 0.000 2.106 228 E HA -0.205 4.139 4.350 -0.010 0.000 0.192 228 E C 2.154 178.793 176.600 0.066 0.000 0.984 228 E CA 0.954 57.381 56.400 0.044 0.000 0.806 228 E CB -0.009 29.689 29.700 -0.003 0.000 0.750 228 E HN 0.442 nan 8.360 nan 0.000 0.458 229 K N 0.556 120.988 120.400 0.053 0.000 2.147 229 K HA -0.089 4.225 4.320 -0.010 0.000 0.205 229 K C 2.056 178.672 176.600 0.026 0.000 1.049 229 K CA 0.758 57.066 56.287 0.035 0.000 0.936 229 K CB -0.057 32.456 32.500 0.022 0.000 0.722 229 K HN 0.128 nan 8.250 nan 0.000 0.446 230 L N 0.989 122.241 121.223 0.048 0.000 2.376 230 L HA -0.058 4.277 4.340 -0.010 0.000 0.219 230 L C 0.975 177.779 176.870 -0.109 0.000 1.133 230 L CA 0.169 54.968 54.840 -0.068 0.000 0.816 230 L CB -0.112 41.885 42.059 -0.103 0.000 0.933 230 L HN 0.024 nan 8.230 nan 0.000 0.449 231 V N 0.000 119.925 119.914 0.019 0.000 2.409 231 V HA 0.000 4.114 4.120 -0.010 0.000 0.244 231 V CA 0.000 62.337 62.300 0.061 0.000 1.235 231 V CB 0.000 31.850 31.823 0.045 0.000 1.184 231 V HN 0.000 nan 8.190 nan 0.000 0.556