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 1u5k_1_A DATA FIRST_RESID 2 DATA SEQUENCE RSRTANRSGI VIRRRVTPAG DIIVTLLTPQ GKLKAIARGG VKGPLSSSLN DATA SEQUENCE LFHHVGVQVY QGPHXDLASV KQAVLEGALP TLAEPERYAF AHLMAEFADA DATA SEQUENCE LFQEGEFSEQ AFDLFAASLR GVAHQPDPEW VALVMSYKLL GLAGVIPQTA DATA SEQUENCE RCARCGAPDP EHPDPLGGQL LCSKCAALPP YPPAVLDFLR HAVRRTVRAS DATA SEQUENCE FEQPVPSADR PALWRALEKF VTVQVGGVHS WRQLVPSGVP VLS 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.305 176.300 0.008 0.000 0.893 2 R CA 0.000 56.102 56.100 0.004 0.000 0.921 2 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 3 S N -1.253 114.451 115.700 0.007 0.000 2.547 3 S HA 0.435 4.904 4.470 -0.001 0.000 0.270 3 S C -0.400 174.205 174.600 0.007 0.000 1.150 3 S CA -0.920 57.291 58.200 0.018 0.000 0.850 3 S CB 2.264 65.482 63.200 0.030 0.000 1.118 3 S HN 0.649 nan 8.310 nan 0.000 0.461 4 R N 0.730 121.240 120.500 0.017 0.000 2.310 4 R HA 0.177 4.516 4.340 -0.001 0.000 0.202 4 R C -0.047 176.238 176.300 -0.025 0.000 0.933 4 R CA 0.429 56.498 56.100 -0.051 0.000 1.054 4 R CB 0.076 30.311 30.300 -0.108 0.000 0.985 4 R HN 0.581 nan 8.270 nan 0.000 0.489 5 T N 0.496 115.094 114.554 0.073 0.000 2.859 5 T HA 0.652 5.002 4.350 -0.001 0.000 0.281 5 T C -0.738 173.989 174.700 0.046 0.000 1.005 5 T CA -0.510 61.652 62.100 0.104 0.000 1.025 5 T CB 1.947 70.901 68.868 0.145 0.000 0.977 5 T HN 0.151 nan 8.240 nan 0.000 0.458 6 A N 3.091 125.933 122.820 0.037 0.000 2.520 6 A HA 0.703 5.023 4.320 -0.001 0.000 0.298 6 A C -0.924 176.672 177.584 0.019 0.000 1.051 6 A CA -0.978 51.069 52.037 0.017 0.000 0.690 6 A CB 1.199 20.199 19.000 -0.001 0.000 1.281 6 A HN 0.678 nan 8.150 nan 0.000 0.402 7 N N 1.761 120.469 118.700 0.013 0.000 2.479 7 N HA 0.531 5.270 4.740 -0.001 0.000 0.285 7 N C -0.523 174.988 175.510 0.003 0.000 1.075 7 N CA -0.179 52.879 53.050 0.013 0.000 0.967 7 N CB 1.125 39.620 38.487 0.013 0.000 1.137 7 N HN 0.558 nan 8.380 nan 0.000 0.472 8 R N 0.072 120.575 120.500 0.004 0.000 2.836 8 R HA 0.541 4.880 4.340 -0.001 0.000 0.269 8 R C -0.976 175.326 176.300 0.005 0.000 1.010 8 R CA -0.704 55.389 56.100 -0.011 0.000 0.930 8 R CB 1.991 32.279 30.300 -0.019 0.000 1.218 8 R HN 0.507 nan 8.270 nan 0.000 0.473 9 S N -0.416 115.273 115.700 -0.018 0.000 2.614 9 S HA 0.787 5.256 4.470 -0.001 0.000 0.275 9 S C -0.887 173.663 174.600 -0.083 0.000 1.161 9 S CA -0.026 58.201 58.200 0.045 0.000 0.969 9 S CB 1.434 64.705 63.200 0.118 0.000 1.059 9 S HN 0.893 nan 8.310 nan 0.000 0.482 10 G N 2.912 111.663 108.800 -0.082 0.000 2.427 10 G HA2 0.453 4.412 3.960 -0.001 0.000 0.306 10 G HA3 0.453 4.412 3.960 -0.001 0.000 0.306 10 G C -1.973 172.862 174.900 -0.110 0.000 1.280 10 G CA -0.664 44.296 45.100 -0.233 0.000 0.837 10 G HN 0.731 nan 8.290 nan 0.000 0.482 11 I N 0.838 121.464 120.570 0.093 0.000 2.377 11 I HA 0.370 4.539 4.170 -0.001 0.000 0.293 11 I C 0.094 176.300 176.117 0.148 0.000 0.987 11 I CA -0.997 60.411 61.300 0.179 0.000 1.185 11 I CB 2.015 40.229 38.000 0.357 0.000 1.341 11 I HN 0.144 nan 8.210 nan 0.000 0.455 12 V N 7.094 127.083 119.914 0.124 0.000 2.479 12 V HA 0.027 4.147 4.120 -0.001 0.000 0.281 12 V C 1.078 177.190 176.094 0.029 0.000 1.031 12 V CA 0.267 62.589 62.300 0.037 0.000 1.038 12 V CB 0.675 32.489 31.823 -0.015 0.000 0.981 12 V HN 0.733 nan 8.190 nan 0.000 0.478 13 I N 1.870 122.444 120.570 0.007 0.000 4.070 13 I HA 0.484 4.654 4.170 -0.001 0.000 0.328 13 I C 0.832 176.945 176.117 -0.008 0.000 1.298 13 I CA 0.245 61.570 61.300 0.042 0.000 1.173 13 I CB 0.276 38.287 38.000 0.017 0.000 1.051 13 I HN 0.490 nan 8.210 nan 0.000 0.409 14 R N 1.592 122.062 120.500 -0.049 0.000 2.604 14 R HA 0.528 4.867 4.340 -0.001 0.000 0.270 14 R C -1.410 174.854 176.300 -0.060 0.000 1.052 14 R CA -0.702 55.374 56.100 -0.040 0.000 0.902 14 R CB 2.091 32.387 30.300 -0.007 0.000 1.233 14 R HN 0.226 nan 8.270 nan 0.000 0.455 15 R N 3.043 123.505 120.500 -0.063 0.000 2.502 15 R HA 0.422 4.761 4.340 -0.001 0.000 0.300 15 R C -1.507 174.772 176.300 -0.035 0.000 0.984 15 R CA -0.828 55.238 56.100 -0.057 0.000 0.882 15 R CB 1.364 31.612 30.300 -0.086 0.000 1.180 15 R HN 0.472 nan 8.270 nan 0.000 0.444 16 R N 3.652 124.138 120.500 -0.024 0.000 2.343 16 R HA 0.332 4.672 4.340 -0.001 0.000 0.320 16 R C -1.561 174.730 176.300 -0.015 0.000 0.956 16 R CA -0.513 55.578 56.100 -0.015 0.000 0.836 16 R CB 1.795 32.089 30.300 -0.010 0.000 1.151 16 R HN 0.367 nan 8.270 nan 0.000 0.450 17 V N 4.850 124.756 119.914 -0.014 0.000 2.385 17 V HA 0.295 4.414 4.120 -0.001 0.000 0.269 17 V C 0.356 176.445 176.094 -0.007 0.000 1.043 17 V CA -0.245 62.049 62.300 -0.011 0.000 0.906 17 V CB 1.342 33.158 31.823 -0.012 0.000 0.995 17 V HN 0.842 nan 8.190 nan 0.000 0.467 18 T N 7.823 122.373 114.554 -0.006 0.000 2.899 18 T HA 0.268 4.617 4.350 -0.001 0.000 0.284 18 T C -1.285 173.413 174.700 -0.003 0.000 1.004 18 T CA -1.034 61.064 62.100 -0.004 0.000 1.043 18 T CB 1.566 70.433 68.868 -0.003 0.000 1.013 18 T HN 0.526 nan 8.240 nan 0.000 0.518 19 P HA -0.031 nan 4.420 nan 0.000 0.218 19 P C 0.919 178.218 177.300 -0.002 0.000 1.148 19 P CA 0.672 63.770 63.100 -0.003 0.000 0.822 19 P CB 0.006 31.704 31.700 -0.002 0.000 0.784 20 A N -0.996 121.824 122.820 -0.001 0.000 2.239 20 A HA 0.345 4.664 4.320 -0.001 0.000 0.209 20 A C 1.727 179.310 177.584 -0.001 0.000 1.171 20 A CA 0.998 53.035 52.037 -0.001 0.000 0.768 20 A CB -1.356 17.644 19.000 0.000 0.000 0.790 20 A HN 0.279 nan 8.150 nan 0.000 0.478 21 G N -0.546 108.253 108.800 -0.001 0.000 2.141 21 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.242 21 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.242 21 G C -0.332 174.567 174.900 -0.000 0.000 0.982 21 G CA 0.165 45.264 45.100 -0.001 0.000 0.662 21 G HN 0.509 nan 8.290 nan 0.000 0.527 22 D N -0.096 120.304 120.400 -0.000 0.000 2.344 22 D HA 0.532 5.171 4.640 -0.001 0.000 0.244 22 D C 0.805 177.104 176.300 -0.001 0.000 1.134 22 D CA 0.191 54.191 54.000 0.001 0.000 0.930 22 D CB 1.169 41.971 40.800 0.003 0.000 1.175 22 D HN 0.289 nan 8.370 nan 0.000 0.437 23 I N 1.481 122.051 120.570 -0.000 0.000 2.382 23 I HA 0.291 4.460 4.170 -0.001 0.000 0.286 23 I C -0.127 175.988 176.117 -0.004 0.000 1.002 23 I CA -0.524 60.773 61.300 -0.004 0.000 1.135 23 I CB 1.312 39.310 38.000 -0.004 0.000 1.288 23 I HN 0.038 nan 8.210 nan 0.000 0.448 24 I N 7.322 127.887 120.570 -0.009 0.000 2.321 24 I HA 0.398 4.567 4.170 -0.001 0.000 0.291 24 I C -0.243 175.864 176.117 -0.017 0.000 0.998 24 I CA -0.842 60.453 61.300 -0.010 0.000 1.227 24 I CB 1.504 39.498 38.000 -0.010 0.000 1.368 24 I HN 0.297 nan 8.210 nan 0.000 0.466 25 V N 1.845 121.748 119.914 -0.018 0.000 2.769 25 V HA 0.640 4.760 4.120 -0.001 0.000 0.312 25 V C -0.156 175.918 176.094 -0.032 0.000 1.061 25 V CA -0.424 61.861 62.300 -0.026 0.000 0.931 25 V CB 1.674 33.485 31.823 -0.020 0.000 1.010 25 V HN 0.631 nan 8.190 nan 0.000 0.433 26 T N 5.431 119.959 114.554 -0.043 0.000 2.824 26 T HA 0.735 5.084 4.350 -0.001 0.000 0.280 26 T C -0.421 174.238 174.700 -0.069 0.000 0.995 26 T CA -0.319 61.743 62.100 -0.062 0.000 1.009 26 T CB 1.030 69.855 68.868 -0.073 0.000 0.955 26 T HN 0.637 nan 8.240 nan 0.000 0.452 27 L N 3.284 124.457 121.223 -0.083 0.000 2.362 27 L HA 0.596 4.935 4.340 -0.001 0.000 0.271 27 L C -0.641 176.135 176.870 -0.156 0.000 1.002 27 L CA -1.120 53.674 54.840 -0.077 0.000 0.818 27 L CB 1.758 43.794 42.059 -0.039 0.000 1.298 27 L HN 0.366 nan 8.230 nan 0.000 0.420 28 L N 2.319 123.443 121.223 -0.165 0.000 2.275 28 L HA 0.586 4.926 4.340 -0.001 0.000 0.288 28 L C 0.244 177.186 176.870 0.119 0.000 1.046 28 L CA -0.234 54.461 54.840 -0.242 0.000 0.805 28 L CB 1.676 43.374 42.059 -0.601 0.000 1.193 28 L HN 0.712 nan 8.230 nan 0.000 0.426 29 T N -0.799 113.796 114.554 0.069 0.000 2.901 29 T HA 0.457 4.806 4.350 -0.001 0.000 0.293 29 T C -2.278 172.294 174.700 -0.213 0.000 1.084 29 T CA -1.851 60.095 62.100 -0.256 0.000 1.008 29 T CB 2.269 71.015 68.868 -0.204 0.000 1.170 29 T HN 0.288 nan 8.240 nan 0.000 0.509 30 P HA -0.043 nan 4.420 nan 0.000 0.225 30 P C 0.712 177.960 177.300 -0.088 0.000 1.148 30 P CA 1.018 63.969 63.100 -0.249 0.000 0.779 30 P CB 0.068 31.594 31.700 -0.289 0.000 0.780 31 Q N -0.556 119.197 119.800 -0.079 0.000 2.220 31 Q HA 0.427 4.766 4.340 -0.001 0.000 0.205 31 Q C 0.746 176.757 176.000 0.019 0.000 0.865 31 Q CA 0.072 55.858 55.803 -0.029 0.000 0.960 31 Q CB 0.617 29.330 28.738 -0.042 0.000 1.097 31 Q HN 0.185 nan 8.270 nan 0.000 0.493 32 G N 1.083 109.939 108.800 0.094 0.000 2.371 32 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.663 32 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.663 32 G C -1.403 173.522 174.900 0.043 0.000 1.311 32 G CA -1.178 44.004 45.100 0.138 0.000 0.985 32 G HN 0.024 nan 8.290 nan 0.000 0.566 33 K N -0.622 119.747 120.400 -0.052 0.000 2.326 33 K HA 0.528 4.847 4.320 -0.001 0.000 0.275 33 K C -0.552 175.989 176.600 -0.098 0.000 1.018 33 K CA -0.291 55.893 56.287 -0.172 0.000 0.962 33 K CB 1.369 33.755 32.500 -0.190 0.000 0.953 33 K HN 0.572 nan 8.250 nan 0.000 0.475 34 L N 2.472 123.633 121.223 -0.104 0.000 2.438 34 L HA 0.349 4.688 4.340 -0.001 0.000 0.270 34 L C -1.288 175.544 176.870 -0.064 0.000 0.972 34 L CA -0.331 54.468 54.840 -0.068 0.000 0.831 34 L CB 1.651 43.677 42.059 -0.055 0.000 1.273 34 L HN 0.480 nan 8.230 nan 0.000 0.405 35 K N 3.881 124.251 120.400 -0.050 0.000 2.206 35 K HA 0.945 5.264 4.320 -0.001 0.000 0.264 35 K C -1.302 175.283 176.600 -0.026 0.000 0.967 35 K CA -0.214 56.049 56.287 -0.040 0.000 0.844 35 K CB 1.559 34.035 32.500 -0.039 0.000 1.099 35 K HN 0.846 nan 8.250 nan 0.000 0.441 36 A N 3.882 126.692 122.820 -0.018 0.000 2.609 36 A HA 0.595 4.914 4.320 -0.001 0.000 0.291 36 A C -1.790 175.795 177.584 0.000 0.000 1.096 36 A CA -0.828 51.206 52.037 -0.005 0.000 0.684 36 A CB 1.050 20.051 19.000 0.002 0.000 1.282 36 A HN 0.781 nan 8.150 nan 0.000 0.412 37 I N 0.769 121.346 120.570 0.010 0.000 2.436 37 I HA 0.693 4.862 4.170 -0.001 0.000 0.289 37 I C 0.058 176.185 176.117 0.018 0.000 1.010 37 I CA -0.733 60.574 61.300 0.011 0.000 1.098 37 I CB 1.635 39.643 38.000 0.012 0.000 1.266 37 I HN 0.856 nan 8.210 nan 0.000 0.434 38 A N 7.970 130.798 122.820 0.014 0.000 2.366 38 A HA 0.549 4.868 4.320 -0.001 0.000 0.322 38 A C -0.069 177.522 177.584 0.012 0.000 1.397 38 A CA -0.547 51.500 52.037 0.016 0.000 0.984 38 A CB 0.093 19.102 19.000 0.015 0.000 1.149 38 A HN 0.813 nan 8.150 nan 0.000 0.540 39 R N 1.389 121.897 120.500 0.013 0.000 2.543 39 R HA 0.387 4.726 4.340 -0.001 0.000 0.277 39 R C 1.309 177.613 176.300 0.006 0.000 1.074 39 R CA 0.916 57.022 56.100 0.009 0.000 1.076 39 R CB 0.535 30.841 30.300 0.010 0.000 0.993 39 R HN 1.239 nan 8.270 nan 0.000 0.459 40 G N 1.905 110.707 108.800 0.004 0.000 2.416 40 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.301 40 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.301 40 G C 0.917 175.820 174.900 0.004 0.000 0.985 40 G CA 0.594 45.695 45.100 0.002 0.000 0.934 40 G HN 0.879 nan 8.290 nan 0.000 0.513 41 G N -1.110 107.693 108.800 0.005 0.000 2.421 41 G HA2 0.015 3.974 3.960 -0.001 0.000 0.217 41 G HA3 0.015 3.974 3.960 -0.001 0.000 0.217 41 G C 1.705 176.609 174.900 0.006 0.000 1.143 41 G CA 1.460 46.565 45.100 0.007 0.000 0.784 41 G HN 0.972 nan 8.290 nan 0.000 0.541 42 V N 0.837 120.753 119.914 0.003 0.000 2.407 42 V HA 0.124 4.243 4.120 -0.001 0.000 0.248 42 V C 2.447 178.543 176.094 0.004 0.000 1.055 42 V CA 2.629 64.931 62.300 0.002 0.000 1.049 42 V CB -0.391 31.432 31.823 -0.001 0.000 0.662 42 V HN 0.432 nan 8.190 nan 0.000 0.455 43 K N -0.252 120.151 120.400 0.004 0.000 3.127 43 K HA 0.648 4.967 4.320 -0.001 0.000 0.236 43 K C 0.066 176.669 176.600 0.005 0.000 1.271 43 K CA 0.324 56.613 56.287 0.004 0.000 1.224 43 K CB 0.153 32.654 32.500 0.002 0.000 1.482 43 K HN 0.779 nan 8.250 nan 0.000 0.435 44 G N -0.878 107.927 108.800 0.007 0.000 2.753 44 G HA2 0.618 4.577 3.960 -0.001 0.000 0.303 44 G HA3 0.618 4.577 3.960 -0.001 0.000 0.303 44 G C -1.646 173.261 174.900 0.012 0.000 1.242 44 G CA 0.476 45.581 45.100 0.008 0.000 0.810 44 G HN 0.178 nan 8.290 nan 0.000 0.515 45 P HA 0.415 nan 4.420 nan 0.000 0.241 45 P C 1.537 178.851 177.300 0.024 0.000 1.191 45 P CA 0.961 64.072 63.100 0.017 0.000 0.771 45 P CB -0.235 31.474 31.700 0.015 0.000 0.929 46 L N -2.282 118.955 121.223 0.024 0.000 2.616 46 L HA 0.111 4.450 4.340 -0.001 0.000 0.229 46 L C 2.686 179.578 176.870 0.036 0.000 1.110 46 L CA 0.808 55.667 54.840 0.032 0.000 0.884 46 L CB -0.055 42.020 42.059 0.027 0.000 1.115 46 L HN 0.064 nan 8.230 nan 0.000 0.481 47 S N 0.830 116.548 115.700 0.029 0.000 2.356 47 S HA -0.190 4.279 4.470 -0.001 0.000 0.223 47 S C 2.294 176.916 174.600 0.036 0.000 1.032 47 S CA 2.098 60.313 58.200 0.024 0.000 1.005 47 S CB -0.059 63.151 63.200 0.017 0.000 0.867 47 S HN 0.619 nan 8.310 nan 0.000 0.449 48 S N 1.122 116.855 115.700 0.054 0.000 2.387 48 S HA -0.067 4.402 4.470 -0.001 0.000 0.226 48 S C 2.118 176.817 174.600 0.164 0.000 1.026 48 S CA 1.335 59.587 58.200 0.087 0.000 0.972 48 S CB -0.878 62.373 63.200 0.085 0.000 0.814 48 S HN 0.703 nan 8.310 nan 0.000 0.477 49 S N 2.469 118.259 115.700 0.149 0.000 2.382 49 S HA 0.080 4.550 4.470 -0.001 0.000 0.228 49 S C 1.282 176.039 174.600 0.262 0.000 1.027 49 S CA 0.632 58.962 58.200 0.218 0.000 0.991 49 S CB -1.008 62.263 63.200 0.117 0.000 0.823 49 S HN 0.536 nan 8.310 nan 0.000 0.469 50 L N 2.478 123.772 121.223 0.117 0.000 2.821 50 L HA 0.308 4.647 4.340 -0.001 0.000 0.239 50 L C 0.155 177.002 176.870 -0.038 0.000 1.391 50 L CA -0.317 54.557 54.840 0.056 0.000 1.231 50 L CB -0.821 41.255 42.059 0.029 0.000 1.598 50 L HN 0.299 nan 8.230 nan 0.000 0.428 51 N N 0.338 118.950 118.700 -0.147 0.000 2.459 51 N HA 0.408 5.147 4.740 -0.001 0.000 0.288 51 N C -0.183 175.045 175.510 -0.470 0.000 1.186 51 N CA -0.753 52.087 53.050 -0.350 0.000 0.917 51 N CB 2.230 40.455 38.487 -0.438 0.000 1.219 51 N HN 0.131 nan 8.380 nan 0.000 0.525 52 L N 1.780 122.699 121.223 -0.507 0.000 2.578 52 L HA -0.096 4.243 4.340 -0.001 0.000 0.279 52 L C 0.443 176.883 176.870 -0.718 0.000 1.227 52 L CA 0.857 55.211 54.840 -0.810 0.000 0.900 52 L CB -0.497 40.720 42.059 -1.403 0.000 1.144 52 L HN 0.769 nan 8.230 nan 0.000 0.496 53 F N -0.714 119.230 119.950 -0.010 0.000 2.544 53 F HA -0.270 4.256 4.527 -0.001 0.000 0.389 53 F C 0.831 176.747 175.800 0.192 0.000 0.588 53 F CA -0.133 57.903 58.000 0.060 0.000 1.461 53 F CB -1.659 37.334 39.000 -0.011 0.000 1.995 53 F HN 0.620 nan 8.300 nan 0.000 0.282 54 H N 0.061 119.232 119.070 0.169 0.000 2.683 54 H HA 0.210 4.765 4.556 -0.001 0.000 0.339 54 H C 0.287 175.742 175.328 0.212 0.000 1.081 54 H CA -0.238 55.913 56.048 0.171 0.000 1.432 54 H CB 0.603 30.433 29.762 0.114 0.000 1.462 54 H HN 0.228 nan 8.280 nan 0.000 0.557 55 H N 3.239 122.455 119.070 0.243 0.000 2.782 55 H HA 0.296 4.851 4.556 -0.001 0.000 0.285 55 H C -0.582 174.834 175.328 0.147 0.000 1.093 55 H CA -0.973 55.202 56.048 0.213 0.000 1.410 55 H CB 0.262 30.146 29.762 0.203 0.000 1.439 55 H HN 0.345 nan 8.280 nan 0.000 0.469 56 V N 2.752 122.883 119.914 0.362 0.000 2.815 56 V HA 0.754 4.873 4.120 -0.001 0.000 0.314 56 V C 0.369 176.595 176.094 0.221 0.000 1.064 56 V CA -0.645 61.797 62.300 0.236 0.000 0.952 56 V CB 1.810 33.730 31.823 0.162 0.000 1.020 56 V HN 0.816 nan 8.190 nan 0.000 0.439 57 G N 2.089 110.972 108.800 0.139 0.000 2.343 57 G HA2 0.653 4.612 3.960 -0.001 0.000 0.319 57 G HA3 0.653 4.612 3.960 -0.001 0.000 0.319 57 G C -0.567 174.372 174.900 0.066 0.000 1.126 57 G CA -0.214 44.941 45.100 0.093 0.000 0.889 57 G HN 1.786 nan 8.290 nan 0.000 0.457 58 V N 0.286 120.231 119.914 0.051 0.000 2.709 58 V HA 0.647 4.766 4.120 -0.001 0.000 0.308 58 V C -0.526 175.588 176.094 0.034 0.000 1.062 58 V CA -1.242 61.083 62.300 0.041 0.000 0.901 58 V CB 1.633 33.479 31.823 0.038 0.000 1.003 58 V HN 0.757 nan 8.190 nan 0.000 0.425 59 Q N 2.642 122.463 119.800 0.035 0.000 2.303 59 Q HA 0.706 5.045 4.340 -0.001 0.000 0.257 59 Q C -0.764 175.267 176.000 0.051 0.000 0.941 59 Q CA -0.602 55.224 55.803 0.039 0.000 0.931 59 Q CB 1.801 30.561 28.738 0.036 0.000 1.215 59 Q HN 1.125 nan 8.270 nan 0.000 0.437 60 V N 1.741 121.689 119.914 0.056 0.000 2.769 60 V HA 0.560 4.680 4.120 -0.001 0.000 0.312 60 V C -1.373 174.792 176.094 0.118 0.000 1.061 60 V CA -1.044 61.300 62.300 0.073 0.000 0.931 60 V CB 1.407 33.252 31.823 0.036 0.000 1.010 60 V HN 0.772 nan 8.190 nan 0.000 0.433 61 Y N 2.705 123.003 120.300 -0.003 0.000 2.328 61 Y HA 0.701 5.250 4.550 -0.002 0.000 0.337 61 Y C -0.183 175.714 175.900 -0.005 0.000 0.966 61 Y CA -0.693 57.405 58.100 -0.003 0.000 1.136 61 Y CB 2.001 40.460 38.460 -0.002 0.000 1.170 61 Y HN 0.858 nan 8.280 nan 0.000 0.470 62 Q N 5.009 124.487 119.800 -0.537 0.000 2.398 62 Q HA 0.458 4.797 4.340 -0.001 0.000 0.251 62 Q C 0.081 175.579 176.000 -0.836 0.000 0.999 62 Q CA -0.347 55.155 55.803 -0.502 0.000 0.874 62 Q CB 0.975 29.557 28.738 -0.260 0.000 1.215 62 Q HN 0.956 nan 8.270 nan 0.000 0.470 63 G N 4.191 112.563 108.800 -0.713 0.000 2.720 63 G HA2 0.084 4.043 3.960 -0.001 0.000 0.237 63 G HA3 0.084 4.043 3.960 -0.001 0.000 0.237 63 G C -1.431 173.348 174.900 -0.202 0.000 1.239 63 G CA -0.600 44.278 45.100 -0.370 0.000 0.847 63 G HN 0.740 nan 8.290 nan 0.000 0.593 64 P HA 0.133 nan 4.420 nan 0.000 0.222 64 P C 0.667 177.944 177.300 -0.038 0.000 1.153 64 P CA 2.196 65.264 63.100 -0.054 0.000 0.798 64 P CB -0.001 31.693 31.700 -0.011 0.000 0.796 68 L N 1.986 123.198 121.223 -0.018 0.000 2.319 68 L HA 0.719 5.058 4.340 -0.001 0.000 0.280 68 L C 0.961 177.825 176.870 -0.011 0.000 1.099 68 L CA -0.669 54.162 54.840 -0.014 0.000 0.828 68 L CB 0.814 42.870 42.059 -0.005 0.000 1.150 68 L HN 0.524 nan 8.230 nan 0.000 0.442 69 A N 3.448 126.256 122.820 -0.019 0.000 2.498 69 A HA 0.441 4.760 4.320 -0.001 0.000 0.239 69 A C 0.269 177.871 177.584 0.031 0.000 1.068 69 A CA 0.198 52.228 52.037 -0.011 0.000 0.766 69 A CB 0.038 19.025 19.000 -0.022 0.000 1.003 69 A HN 0.781 nan 8.150 nan 0.000 0.497 70 S N 1.661 117.409 115.700 0.081 0.000 2.475 70 S HA 0.546 5.016 4.470 -0.001 0.000 0.298 70 S C -0.563 174.089 174.600 0.088 0.000 1.119 70 S CA -0.676 57.581 58.200 0.094 0.000 1.085 70 S CB 1.225 64.509 63.200 0.139 0.000 1.028 70 S HN 0.805 nan 8.310 nan 0.000 0.489 71 V N 5.720 125.667 119.914 0.055 0.000 2.432 71 V HA 0.320 4.439 4.120 -0.001 0.000 0.271 71 V C 1.008 177.127 176.094 0.041 0.000 1.046 71 V CA -0.282 62.045 62.300 0.046 0.000 0.945 71 V CB 1.052 32.895 31.823 0.033 0.000 0.992 71 V HN 1.000 nan 8.190 nan 0.000 0.471 72 K N 2.876 123.301 120.400 0.042 0.000 2.287 72 K HA 0.251 4.570 4.320 -0.001 0.000 0.199 72 K C 0.244 176.855 176.600 0.019 0.000 1.061 72 K CA 0.456 56.757 56.287 0.023 0.000 0.976 72 K CB 0.613 33.125 32.500 0.021 0.000 0.898 72 K HN 0.648 nan 8.250 nan 0.000 0.492 73 Q N -0.954 118.861 119.800 0.026 0.000 2.416 73 Q HA 0.616 4.955 4.340 -0.001 0.000 0.281 73 Q C -1.785 174.234 176.000 0.032 0.000 1.067 73 Q CA -0.763 55.055 55.803 0.024 0.000 0.809 73 Q CB 2.812 31.562 28.738 0.021 0.000 1.418 73 Q HN 0.142 nan 8.270 nan 0.000 0.411 74 A N 1.119 123.959 122.820 0.034 0.000 2.459 74 A HA 0.736 5.055 4.320 -0.001 0.000 0.296 74 A C -1.537 176.073 177.584 0.043 0.000 1.039 74 A CA -0.461 51.602 52.037 0.044 0.000 0.698 74 A CB 1.564 20.593 19.000 0.050 0.000 1.261 74 A HN 0.360 nan 8.150 nan 0.000 0.405 75 V N 2.962 122.904 119.914 0.047 0.000 2.577 75 V HA 0.369 4.488 4.120 -0.001 0.000 0.303 75 V C -0.544 175.576 176.094 0.044 0.000 1.042 75 V CA -0.546 61.777 62.300 0.037 0.000 0.872 75 V CB 1.629 33.469 31.823 0.028 0.000 0.998 75 V HN 0.912 nan 8.190 nan 0.000 0.423 76 L N 4.778 126.016 121.223 0.025 0.000 2.433 76 L HA 0.284 4.624 4.340 -0.001 0.000 0.275 76 L C 1.036 177.902 176.870 -0.007 0.000 1.128 76 L CA 1.065 55.906 54.840 0.001 0.000 0.875 76 L CB 0.422 42.443 42.059 -0.063 0.000 1.171 76 L HN 0.758 nan 8.230 nan 0.000 0.463 77 E N 3.490 123.698 120.200 0.012 0.000 2.431 77 E HA 0.334 4.683 4.350 -0.001 0.000 0.200 77 E C 0.292 176.859 176.600 -0.055 0.000 0.995 77 E CA 0.323 56.700 56.400 -0.038 0.000 0.915 77 E CB 0.656 30.299 29.700 -0.095 0.000 0.930 77 E HN 0.795 nan 8.360 nan 0.000 0.496 78 G N 0.631 109.430 108.800 -0.002 0.000 2.717 78 G HA2 0.555 4.514 3.960 -0.001 0.000 0.300 78 G HA3 0.555 4.514 3.960 -0.001 0.000 0.300 78 G C -1.667 173.262 174.900 0.048 0.000 1.424 78 G CA -0.130 44.990 45.100 0.033 0.000 1.033 78 G HN 0.136 nan 8.290 nan 0.000 0.577 79 A N 1.199 124.037 122.820 0.029 0.000 2.515 79 A HA 0.923 5.242 4.320 -0.001 0.000 0.296 79 A C -1.103 176.550 177.584 0.116 0.000 1.094 79 A CA -0.751 51.322 52.037 0.060 0.000 0.718 79 A CB 1.554 20.507 19.000 -0.079 0.000 1.307 79 A HN 1.024 nan 8.150 nan 0.000 0.408 80 L N 1.687 123.003 121.223 0.155 0.000 2.433 80 L HA 0.357 4.696 4.340 -0.001 0.000 0.256 80 L C -1.894 175.049 176.870 0.122 0.000 1.063 80 L CA -1.464 53.438 54.840 0.104 0.000 0.922 80 L CB 1.952 44.020 42.059 0.015 0.000 1.238 80 L HN 0.504 nan 8.230 nan 0.000 0.466 81 P HA -0.106 nan 4.420 nan 0.000 0.222 81 P C 1.465 178.832 177.300 0.111 0.000 1.147 81 P CA 1.023 64.199 63.100 0.127 0.000 0.790 81 P CB 0.312 32.074 31.700 0.103 0.000 0.780 82 T N -0.438 114.167 114.554 0.086 0.000 2.995 82 T HA 0.029 4.378 4.350 -0.001 0.000 0.269 82 T C 1.520 176.257 174.700 0.061 0.000 1.091 82 T CA 0.452 62.592 62.100 0.066 0.000 1.128 82 T CB -0.702 68.199 68.868 0.055 0.000 0.891 82 T HN 0.055 nan 8.240 nan 0.000 0.492 83 L N 0.669 121.927 121.223 0.060 0.000 2.447 83 L HA -0.071 4.269 4.340 -0.001 0.000 0.225 83 L C 2.706 179.726 176.870 0.249 0.000 1.148 83 L CA 0.714 55.611 54.840 0.094 0.000 0.808 83 L CB -0.545 41.542 42.059 0.046 0.000 0.928 83 L HN 0.230 nan 8.230 nan 0.000 0.448 84 A N -0.461 122.483 122.820 0.207 0.000 2.119 84 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 84 A C 0.898 178.550 177.584 0.114 0.000 1.153 84 A CA 0.227 52.372 52.037 0.181 0.000 0.692 84 A CB -0.299 18.773 19.000 0.121 0.000 0.799 84 A HN 0.395 nan 8.150 nan 0.000 0.458 85 E N 0.532 120.796 120.200 0.108 0.000 2.417 85 E HA 0.090 4.440 4.350 -0.001 0.000 0.261 85 E C -1.694 174.966 176.600 0.101 0.000 1.000 85 E CA -1.579 54.870 56.400 0.081 0.000 0.919 85 E CB 0.479 30.223 29.700 0.073 0.000 0.955 85 E HN 0.190 nan 8.360 nan 0.000 0.455 86 P HA -0.253 nan 4.420 nan 0.000 0.216 86 P C 1.186 178.539 177.300 0.089 0.000 1.153 86 P CA 1.278 64.407 63.100 0.048 0.000 0.858 86 P CB 0.240 31.941 31.700 0.002 0.000 0.789 87 E N -0.188 120.066 120.200 0.089 0.000 2.072 87 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 87 E C 2.064 178.776 176.600 0.186 0.000 0.985 87 E CA 0.884 57.353 56.400 0.116 0.000 0.801 87 E CB -0.098 29.694 29.700 0.154 0.000 0.750 87 E HN 0.105 nan 8.360 nan 0.000 0.452 88 R N -0.607 119.996 120.500 0.171 0.000 2.075 88 R HA -0.149 4.190 4.340 -0.001 0.000 0.232 88 R C 2.380 178.737 176.300 0.096 0.000 1.126 88 R CA 1.444 57.630 56.100 0.143 0.000 0.963 88 R CB -0.638 29.703 30.300 0.067 0.000 0.858 88 R HN 0.307 nan 8.270 nan 0.000 0.435 89 Y N 1.615 121.917 120.300 0.003 0.000 2.114 89 Y HA -0.333 4.216 4.550 -0.002 0.000 0.282 89 Y C 2.418 178.329 175.900 0.019 0.000 1.165 89 Y CA 1.729 59.839 58.100 0.016 0.000 1.148 89 Y CB -0.244 38.263 38.460 0.078 0.000 0.972 89 Y HN 0.107 nan 8.280 nan 0.000 0.504 90 A N -0.421 122.513 122.820 0.190 0.000 1.908 90 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 90 A C 2.063 179.547 177.584 -0.167 0.000 1.181 90 A CA 1.829 53.871 52.037 0.009 0.000 0.627 90 A CB -1.376 17.498 19.000 -0.211 0.000 0.818 90 A HN 0.576 nan 8.150 nan 0.000 0.445 91 F N -0.217 119.746 119.950 0.022 0.000 2.234 91 F HA 0.028 4.554 4.527 -0.001 0.000 0.296 91 F C 2.784 178.523 175.800 -0.101 0.000 1.089 91 F CA 0.653 58.642 58.000 -0.019 0.000 1.343 91 F CB -0.208 38.788 39.000 -0.007 0.000 1.040 91 F HN 0.263 nan 8.300 nan 0.000 0.498 92 A N -0.409 122.325 122.820 -0.144 0.000 1.908 92 A HA -0.308 4.011 4.320 -0.001 0.000 0.218 92 A C 1.953 179.373 177.584 -0.273 0.000 1.181 92 A CA 2.278 53.998 52.037 -0.528 0.000 0.627 92 A CB -1.099 17.071 19.000 -1.383 0.000 0.818 92 A HN 0.449 nan 8.150 nan 0.000 0.445 93 H N -0.543 118.405 119.070 -0.204 0.000 2.357 93 H HA -0.071 4.484 4.556 -0.001 0.000 0.301 93 H C 1.807 177.238 175.328 0.172 0.000 1.082 93 H CA 1.636 57.771 56.048 0.145 0.000 1.342 93 H CB -0.420 29.417 29.762 0.125 0.000 1.389 93 H HN 0.320 nan 8.280 nan 0.000 0.511 94 L N -0.249 121.047 121.223 0.122 0.000 2.012 94 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 94 L C 2.044 179.061 176.870 0.245 0.000 1.073 94 L CA 1.856 56.779 54.840 0.139 0.000 0.748 94 L CB -0.701 41.425 42.059 0.112 0.000 0.891 94 L HN 0.245 nan 8.230 nan 0.000 0.431 95 M N -0.532 119.219 119.600 0.251 0.000 2.108 95 M HA -0.156 4.324 4.480 -0.001 0.000 0.261 95 M C 2.423 179.040 176.300 0.529 0.000 1.066 95 M CA 1.816 57.333 55.300 0.361 0.000 1.107 95 M CB -1.793 30.948 32.600 0.234 0.000 1.356 95 M HN 0.479 nan 8.290 nan 0.000 0.406 96 A N 0.171 123.287 122.820 0.492 0.000 1.858 96 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 96 A C 2.128 179.833 177.584 0.202 0.000 1.190 96 A CA 1.523 53.821 52.037 0.435 0.000 0.617 96 A CB -0.536 18.781 19.000 0.528 0.000 0.827 96 A HN 0.443 nan 8.150 nan 0.000 0.443 97 E N -1.207 119.115 120.200 0.203 0.000 2.152 97 E HA -0.109 4.240 4.350 -0.001 0.000 0.192 97 E C 1.744 178.430 176.600 0.142 0.000 0.983 97 E CA 0.854 57.348 56.400 0.156 0.000 0.818 97 E CB -0.379 29.405 29.700 0.142 0.000 0.758 97 E HN 0.697 nan 8.360 nan 0.000 0.467 98 F N 1.801 121.727 119.950 -0.040 0.000 2.113 98 F HA -0.106 4.421 4.527 -0.001 0.000 0.297 98 F C 2.262 177.922 175.800 -0.234 0.000 1.103 98 F CA 1.498 59.238 58.000 -0.434 0.000 1.248 98 F CB -0.323 38.411 39.000 -0.443 0.000 0.999 98 F HN -0.036 nan 8.300 nan 0.000 0.475 99 A N -0.273 122.544 122.820 -0.005 0.000 1.933 99 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 99 A C 1.921 179.461 177.584 -0.072 0.000 1.175 99 A CA 2.066 54.104 52.037 0.002 0.000 0.628 99 A CB -1.234 17.779 19.000 0.022 0.000 0.814 99 A HN 0.503 nan 8.150 nan 0.000 0.444 100 D N -0.421 119.888 120.400 -0.151 0.000 2.178 100 D HA 0.018 4.657 4.640 -0.001 0.000 0.202 100 D C 1.950 178.193 176.300 -0.095 0.000 0.974 100 D CA 1.395 55.309 54.000 -0.144 0.000 0.841 100 D CB -0.144 40.587 40.800 -0.114 0.000 0.953 100 D HN 0.343 nan 8.370 nan 0.000 0.478 101 A N -0.312 122.429 122.820 -0.130 0.000 1.970 101 A HA 0.027 4.346 4.320 -0.001 0.000 0.216 101 A C 2.040 179.531 177.584 -0.155 0.000 1.170 101 A CA 0.785 52.766 52.037 -0.092 0.000 0.645 101 A CB -0.499 18.548 19.000 0.078 0.000 0.816 101 A HN 0.351 nan 8.150 nan 0.000 0.447 102 L N -1.769 119.232 121.223 -0.371 0.000 2.131 102 L HA 0.287 4.626 4.340 -0.001 0.000 0.206 102 L C -0.098 176.512 176.870 -0.432 0.000 1.087 102 L CA 1.136 55.661 54.840 -0.525 0.000 0.767 102 L CB -0.251 41.222 42.059 -0.976 0.000 0.917 102 L HN 0.192 nan 8.230 nan 0.000 0.441 103 F N 1.308 121.181 119.950 -0.129 0.000 2.391 103 F HA 0.397 4.923 4.527 -0.002 0.000 0.359 103 F C 0.563 176.340 175.800 -0.038 0.000 1.122 103 F CA -0.918 57.069 58.000 -0.023 0.000 1.120 103 F CB 0.614 39.686 39.000 0.120 0.000 1.142 103 F HN 0.007 nan 8.300 nan 0.000 0.483 104 Q N 1.569 121.429 119.800 0.099 0.000 2.396 104 Q HA 0.281 4.620 4.340 -0.001 0.000 0.221 104 Q C 0.357 176.408 176.000 0.085 0.000 1.025 104 Q CA -0.276 55.561 55.803 0.056 0.000 0.946 104 Q CB 0.264 29.014 28.738 0.020 0.000 1.224 104 Q HN 0.737 nan 8.270 nan 0.000 0.539 105 E N -0.282 119.942 120.200 0.041 0.000 2.465 105 E HA 0.339 4.688 4.350 -0.001 0.000 0.260 105 E C 1.147 177.779 176.600 0.052 0.000 0.980 105 E CA 0.513 56.934 56.400 0.035 0.000 0.927 105 E CB -0.604 29.101 29.700 0.008 0.000 0.934 105 E HN 0.754 nan 8.360 nan 0.000 0.459 106 G N 1.693 110.531 108.800 0.063 0.000 2.304 106 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.252 106 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.252 106 G C 1.066 176.029 174.900 0.105 0.000 1.014 106 G CA 0.748 45.888 45.100 0.068 0.000 0.619 106 G HN 0.675 nan 8.290 nan 0.000 0.525 107 E N -0.782 119.517 120.200 0.165 0.000 2.435 107 E HA 0.186 4.535 4.350 -0.001 0.000 0.195 107 E C 0.362 177.147 176.600 0.308 0.000 1.029 107 E CA -0.232 56.315 56.400 0.244 0.000 0.865 107 E CB 0.207 30.082 29.700 0.292 0.000 0.833 107 E HN 0.460 nan 8.360 nan 0.000 0.510 108 F N 2.868 122.834 119.950 0.027 0.000 2.423 108 F HA 0.058 4.584 4.527 -0.001 0.000 0.356 108 F C 0.485 176.196 175.800 -0.148 0.000 1.170 108 F CA -0.833 57.032 58.000 -0.225 0.000 1.163 108 F CB 0.217 39.036 39.000 -0.302 0.000 1.318 108 F HN -0.205 nan 8.300 nan 0.000 0.569 109 S N 2.597 118.000 115.700 -0.496 0.000 2.707 109 S HA 0.235 4.704 4.470 -0.001 0.000 0.276 109 S C 1.232 175.629 174.600 -0.339 0.000 1.179 109 S CA -0.509 57.523 58.200 -0.281 0.000 0.992 109 S CB 1.354 64.453 63.200 -0.169 0.000 1.030 109 S HN 0.755 nan 8.310 nan 0.000 0.554 110 E N 0.228 120.343 120.200 -0.141 0.000 2.118 110 E HA -0.246 4.103 4.350 -0.001 0.000 0.195 110 E C 1.784 178.356 176.600 -0.046 0.000 0.992 110 E CA 1.401 57.771 56.400 -0.050 0.000 0.804 110 E CB -0.232 29.462 29.700 -0.009 0.000 0.741 110 E HN 0.697 nan 8.360 nan 0.000 0.458 111 Q N 0.148 119.889 119.800 -0.097 0.000 2.124 111 Q HA -0.088 4.252 4.340 -0.001 0.000 0.202 111 Q C 1.976 177.887 176.000 -0.147 0.000 0.977 111 Q CA 1.713 57.469 55.803 -0.078 0.000 0.850 111 Q CB -0.307 28.397 28.738 -0.055 0.000 0.901 111 Q HN 0.395 nan 8.270 nan 0.000 0.429 112 A N -0.122 122.484 122.820 -0.357 0.000 1.898 112 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 112 A C 1.936 179.205 177.584 -0.525 0.000 1.181 112 A CA 1.188 52.862 52.037 -0.605 0.000 0.620 112 A CB -0.853 17.326 19.000 -1.368 0.000 0.819 112 A HN 0.443 nan 8.150 nan 0.000 0.442 113 F N 1.408 120.974 119.950 -0.641 0.000 2.095 113 F HA -0.226 4.300 4.527 -0.001 0.000 0.298 113 F C 1.785 177.649 175.800 0.106 0.000 1.104 113 F CA 2.262 60.235 58.000 -0.044 0.000 1.232 113 F CB -0.225 38.804 39.000 0.049 0.000 0.987 113 F HN 0.241 nan 8.300 nan 0.000 0.475 114 D N 0.392 120.772 120.400 -0.033 0.000 2.117 114 D HA -0.174 4.465 4.640 -0.001 0.000 0.198 114 D C 2.573 178.809 176.300 -0.106 0.000 0.982 114 D CA 1.084 55.045 54.000 -0.064 0.000 0.828 114 D CB -0.566 40.264 40.800 0.049 0.000 0.967 114 D HN 0.319 nan 8.370 nan 0.000 0.464 115 L N -0.058 121.132 121.223 -0.056 0.000 2.046 115 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 115 L C 2.335 179.212 176.870 0.010 0.000 1.077 115 L CA 1.029 55.861 54.840 -0.013 0.000 0.747 115 L CB -0.326 41.749 42.059 0.027 0.000 0.896 115 L HN -0.010 nan 8.230 nan 0.000 0.432 116 F N 0.782 120.673 119.950 -0.099 0.000 2.095 116 F HA -0.253 4.274 4.527 -0.001 0.000 0.298 116 F C 2.419 178.133 175.800 -0.143 0.000 1.104 116 F CA 1.618 59.585 58.000 -0.056 0.000 1.232 116 F CB -0.406 38.621 39.000 0.045 0.000 0.987 116 F HN 0.075 nan 8.300 nan 0.000 0.475 117 A N 0.422 123.000 122.820 -0.402 0.000 1.908 117 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 117 A C 2.400 179.824 177.584 -0.267 0.000 1.181 117 A CA 1.916 53.701 52.037 -0.420 0.000 0.627 117 A CB -1.604 17.134 19.000 -0.437 0.000 0.818 117 A HN 0.541 nan 8.150 nan 0.000 0.445 118 A N 0.164 122.880 122.820 -0.174 0.000 1.969 118 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 118 A C 2.500 180.039 177.584 -0.075 0.000 1.169 118 A CA 2.176 54.171 52.037 -0.070 0.000 0.635 118 A CB -0.915 18.074 19.000 -0.017 0.000 0.810 118 A HN 1.016 nan 8.150 nan 0.000 0.445 119 S N 0.214 115.825 115.700 -0.148 0.000 2.368 119 S HA -0.132 4.337 4.470 -0.001 0.000 0.225 119 S C 1.932 176.394 174.600 -0.232 0.000 1.030 119 S CA 1.498 59.613 58.200 -0.141 0.000 0.999 119 S CB -0.744 62.378 63.200 -0.131 0.000 0.844 119 S HN 0.466 nan 8.310 nan 0.000 0.459 120 L N 0.794 121.787 121.223 -0.383 0.000 2.056 120 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 120 L C 3.237 179.953 176.870 -0.257 0.000 1.078 120 L CA 1.477 56.099 54.840 -0.363 0.000 0.749 120 L CB -0.590 41.219 42.059 -0.418 0.000 0.901 120 L HN 0.321 nan 8.230 nan 0.000 0.433 121 R N 0.091 120.487 120.500 -0.173 0.000 2.094 121 R HA -0.159 4.181 4.340 -0.001 0.000 0.239 121 R C 2.376 178.610 176.300 -0.111 0.000 1.137 121 R CA 1.546 57.585 56.100 -0.101 0.000 0.943 121 R CB -0.907 29.431 30.300 0.064 0.000 0.850 121 R HN 0.452 nan 8.270 nan 0.000 0.433 122 G N 0.376 109.141 108.800 -0.057 0.000 2.469 122 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.219 122 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.219 122 G C 1.457 176.257 174.900 -0.168 0.000 1.150 122 G CA 0.895 45.941 45.100 -0.091 0.000 0.763 122 G HN 0.175 nan 8.290 nan 0.000 0.561 123 V N 1.189 120.995 119.914 -0.180 0.000 2.515 123 V HA -0.036 4.083 4.120 -0.001 0.000 0.250 123 V C 3.218 179.211 176.094 -0.169 0.000 1.058 123 V CA 1.851 64.056 62.300 -0.158 0.000 1.064 123 V CB -0.425 31.320 31.823 -0.131 0.000 0.675 123 V HN 0.487 nan 8.190 nan 0.000 0.461 124 A N -1.333 121.316 122.820 -0.285 0.000 1.968 124 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 124 A C 1.991 179.357 177.584 -0.362 0.000 1.169 124 A CA 1.471 53.273 52.037 -0.392 0.000 0.638 124 A CB -0.384 18.233 19.000 -0.638 0.000 0.812 124 A HN 0.669 nan 8.150 nan 0.000 0.446 125 H N -1.368 117.678 119.070 -0.039 0.000 2.855 125 H HA 0.197 4.753 4.556 -0.001 0.000 0.259 125 H C 0.135 175.434 175.328 -0.049 0.000 0.972 125 H CA 0.053 56.083 56.048 -0.031 0.000 1.213 125 H CB 0.130 29.879 29.762 -0.022 0.000 1.451 125 H HN 0.407 nan 8.280 nan 0.000 0.484 126 Q N 1.674 121.479 119.800 0.007 0.000 2.259 126 Q HA 0.157 4.496 4.340 -0.001 0.000 0.246 126 Q C -1.449 174.517 176.000 -0.056 0.000 0.920 126 Q CA -1.795 53.971 55.803 -0.061 0.000 0.895 126 Q CB 1.179 29.795 28.738 -0.204 0.000 1.220 126 Q HN 0.110 nan 8.270 nan 0.000 0.439 127 P HA -0.112 nan 4.420 nan 0.000 0.219 127 P C 0.053 177.329 177.300 -0.041 0.000 1.146 127 P CA 1.296 64.377 63.100 -0.032 0.000 0.808 127 P CB 0.419 32.101 31.700 -0.029 0.000 0.779 128 D N -1.052 119.305 120.400 -0.072 0.000 2.441 128 D HA 0.125 4.764 4.640 -0.001 0.000 0.287 128 D C -1.694 174.524 176.300 -0.136 0.000 1.198 128 D CA -2.253 51.707 54.000 -0.067 0.000 0.894 128 D CB 0.808 41.586 40.800 -0.036 0.000 1.070 128 D HN 0.006 nan 8.370 nan 0.000 0.499 129 P HA -0.130 nan 4.420 nan 0.000 0.220 129 P C 1.273 178.146 177.300 -0.712 0.000 1.148 129 P CA 0.635 63.550 63.100 -0.308 0.000 0.803 129 P CB 0.643 32.273 31.700 -0.115 0.000 0.782 130 E N -0.667 118.984 120.200 -0.915 0.000 2.085 130 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 130 E C 1.903 178.333 176.600 -0.282 0.000 0.994 130 E CA 0.984 56.789 56.400 -0.991 0.000 0.801 130 E CB -0.496 29.032 29.700 -0.287 0.000 0.743 130 E HN 0.311 nan 8.360 nan 0.000 0.453 131 W N 0.816 121.921 121.300 -0.326 0.000 2.388 131 W HA -0.163 4.496 4.660 -0.001 0.000 0.294 131 W C 1.794 178.208 176.519 -0.175 0.000 1.212 131 W CA 1.042 58.247 57.345 -0.233 0.000 1.271 131 W CB 0.039 29.382 29.460 -0.195 0.000 1.126 131 W HN -0.017 nan 8.180 nan 0.000 0.535 132 V N 1.734 121.469 119.914 -0.298 0.000 2.287 132 V HA -0.330 3.790 4.120 -0.001 0.000 0.248 132 V C 2.642 178.627 176.094 -0.181 0.000 1.053 132 V CA 2.451 64.567 62.300 -0.307 0.000 1.027 132 V CB -1.677 29.940 31.823 -0.344 0.000 0.646 132 V HN 0.273 nan 8.190 nan 0.000 0.447 133 A N -0.613 122.099 122.820 -0.179 0.000 1.898 133 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 133 A C 2.245 179.795 177.584 -0.057 0.000 1.181 133 A CA 1.633 53.669 52.037 -0.002 0.000 0.620 133 A CB -0.516 18.615 19.000 0.218 0.000 0.819 133 A HN 0.480 nan 8.150 nan 0.000 0.442 134 L N -0.552 120.492 121.223 -0.297 0.000 1.989 134 L HA -0.210 4.129 4.340 -0.001 0.000 0.211 134 L C 2.594 179.262 176.870 -0.336 0.000 1.071 134 L CA 1.506 55.979 54.840 -0.611 0.000 0.749 134 L CB -0.498 40.987 42.059 -0.955 0.000 0.890 134 L HN 0.269 nan 8.230 nan 0.000 0.431 135 V N -0.724 118.900 119.914 -0.484 0.000 2.343 135 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 135 V C 2.479 178.540 176.094 -0.056 0.000 1.051 135 V CA 1.584 63.733 62.300 -0.251 0.000 1.036 135 V CB -0.367 31.281 31.823 -0.293 0.000 0.654 135 V HN 0.376 nan 8.190 nan 0.000 0.451 136 M N 0.420 120.005 119.600 -0.025 0.000 2.200 136 M HA -0.069 4.411 4.480 -0.001 0.000 0.265 136 M C 2.602 178.947 176.300 0.075 0.000 1.066 136 M CA 2.048 57.371 55.300 0.039 0.000 1.127 136 M CB -1.432 31.205 32.600 0.062 0.000 1.379 136 M HN 0.626 nan 8.290 nan 0.000 0.420 137 S N -0.074 115.618 115.700 -0.013 0.000 2.368 137 S HA -0.179 4.290 4.470 -0.001 0.000 0.225 137 S C 2.025 176.616 174.600 -0.015 0.000 1.030 137 S CA 1.092 59.194 58.200 -0.162 0.000 0.999 137 S CB -0.899 61.873 63.200 -0.713 0.000 0.844 137 S HN 0.408 nan 8.310 nan 0.000 0.459 138 Y N 1.850 122.101 120.300 -0.081 0.000 2.200 138 Y HA 0.090 4.639 4.550 -0.001 0.000 0.290 138 Y C 2.721 178.589 175.900 -0.053 0.000 1.137 138 Y CA 1.524 59.586 58.100 -0.063 0.000 1.163 138 Y CB -0.380 38.000 38.460 -0.133 0.000 0.988 138 Y HN 0.236 nan 8.280 nan 0.000 0.518 139 K N 0.584 121.040 120.400 0.093 0.000 2.063 139 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 139 K C 1.751 178.411 176.600 0.099 0.000 1.048 139 K CA 1.316 57.630 56.287 0.044 0.000 0.928 139 K CB -0.561 31.940 32.500 0.001 0.000 0.713 139 K HN 0.280 nan 8.250 nan 0.000 0.442 140 L N 0.454 121.786 121.223 0.181 0.000 2.191 140 L HA -0.139 4.200 4.340 -0.001 0.000 0.212 140 L C 1.986 178.952 176.870 0.159 0.000 1.103 140 L CA 0.695 55.700 54.840 0.275 0.000 0.769 140 L CB -0.389 41.951 42.059 0.468 0.000 0.908 140 L HN 0.182 nan 8.230 nan 0.000 0.438 141 L N -0.416 120.869 121.223 0.105 0.000 2.081 141 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 141 L C 2.557 179.443 176.870 0.027 0.000 1.080 141 L CA 1.412 56.277 54.840 0.041 0.000 0.754 141 L CB -1.261 40.834 42.059 0.061 0.000 0.893 141 L HN 0.364 nan 8.230 nan 0.000 0.433 142 G N -0.207 108.618 108.800 0.041 0.000 2.509 142 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.218 142 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.218 142 G C 1.464 176.394 174.900 0.050 0.000 1.124 142 G CA 0.286 45.406 45.100 0.033 0.000 0.776 142 G HN 0.328 nan 8.290 nan 0.000 0.547 143 L N -0.318 120.961 121.223 0.094 0.000 2.640 143 L HA 0.452 4.792 4.340 -0.001 0.000 0.230 143 L C 1.479 178.462 176.870 0.189 0.000 1.123 143 L CA -0.197 54.738 54.840 0.158 0.000 0.900 143 L CB 0.239 42.442 42.059 0.241 0.000 1.146 143 L HN 0.226 nan 8.230 nan 0.000 0.484 144 A N -0.308 122.488 122.820 -0.040 0.000 2.452 144 A HA 0.660 4.980 4.320 -0.001 0.000 0.285 144 A C 1.248 178.755 177.584 -0.127 0.000 1.209 144 A CA 0.221 52.083 52.037 -0.291 0.000 0.940 144 A CB 0.231 18.705 19.000 -0.877 0.000 1.440 144 A HN 0.097 nan 8.150 nan 0.000 0.480 145 G N -0.894 107.814 108.800 -0.152 0.000 2.511 145 G HA2 0.271 4.231 3.960 -0.001 0.000 0.217 145 G HA3 0.271 4.231 3.960 -0.001 0.000 0.217 145 G C 0.821 175.678 174.900 -0.071 0.000 1.133 145 G CA 0.992 46.046 45.100 -0.078 0.000 0.792 145 G HN 1.505 nan 8.290 nan 0.000 0.539 146 V N -0.736 119.118 119.914 -0.101 0.000 3.332 146 V HA 0.280 4.399 4.120 -0.001 0.000 0.305 146 V C 0.214 176.338 176.094 0.050 0.000 1.114 146 V CA -0.456 61.805 62.300 -0.066 0.000 1.194 146 V CB 0.796 32.566 31.823 -0.088 0.000 1.027 146 V HN 0.099 nan 8.190 nan 0.000 0.492 147 I N 3.158 123.801 120.570 0.122 0.000 2.502 147 I HA 0.402 4.571 4.170 -0.001 0.000 0.276 147 I C -2.450 173.848 176.117 0.303 0.000 1.057 147 I CA -1.562 59.833 61.300 0.158 0.000 1.163 147 I CB 1.077 39.129 38.000 0.087 0.000 1.288 147 I HN 0.573 nan 8.210 nan 0.000 0.479 148 P HA 0.119 nan 4.420 nan 0.000 0.268 148 P C -0.358 176.952 177.300 0.016 0.000 1.205 148 P CA -0.032 63.086 63.100 0.029 0.000 0.771 148 P CB 0.760 32.407 31.700 -0.087 0.000 0.858 149 Q N 1.792 121.576 119.800 -0.027 0.000 2.759 149 Q HA 0.174 4.514 4.340 -0.001 0.000 0.225 149 Q C -0.405 175.579 176.000 -0.026 0.000 0.823 149 Q CA -0.047 55.756 55.803 0.000 0.000 0.828 149 Q CB 0.952 29.723 28.738 0.055 0.000 1.425 149 Q HN 0.576 nan 8.270 nan 0.000 0.449 150 T N -1.896 112.625 114.554 -0.054 0.000 3.044 150 T HA 0.328 4.677 4.350 -0.001 0.000 0.260 150 T C 1.249 175.925 174.700 -0.041 0.000 1.019 150 T CA 0.563 62.628 62.100 -0.058 0.000 0.921 150 T CB 0.589 69.386 68.868 -0.118 0.000 1.053 150 T HN 0.304 nan 8.240 nan 0.000 0.533 151 A N 1.621 124.424 122.820 -0.029 0.000 2.072 151 A HA 0.351 4.670 4.320 -0.001 0.000 0.216 151 A C 1.151 178.737 177.584 0.002 0.000 1.156 151 A CA 0.122 52.149 52.037 -0.017 0.000 0.701 151 A CB -0.008 18.984 19.000 -0.013 0.000 0.816 151 A HN 0.475 nan 8.150 nan 0.000 0.458 152 R N -1.921 118.585 120.500 0.011 0.000 2.725 152 R HA 0.372 4.711 4.340 -0.001 0.000 0.277 152 R C -0.940 175.377 176.300 0.028 0.000 0.987 152 R CA -0.688 55.423 56.100 0.019 0.000 0.901 152 R CB 1.424 31.734 30.300 0.017 0.000 1.207 152 R HN 0.268 nan 8.270 nan 0.000 0.463 153 C N 1.946 121.264 119.300 0.029 0.000 2.596 153 C HA 0.109 4.568 4.460 -0.001 0.000 0.414 153 C C 1.897 176.907 174.990 0.034 0.000 1.396 153 C CA 0.326 59.363 59.018 0.033 0.000 1.698 153 C CB -0.532 27.219 27.740 0.019 0.000 2.572 153 C HN 0.949 nan 8.230 nan 0.000 0.604 154 A N 4.916 127.763 122.820 0.045 0.000 2.121 154 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 154 A C 2.369 179.975 177.584 0.037 0.000 1.154 154 A CA 1.675 53.742 52.037 0.050 0.000 0.679 154 A CB -0.346 18.696 19.000 0.070 0.000 0.795 154 A HN 0.989 nan 8.150 nan 0.000 0.458 155 R N -0.800 119.716 120.500 0.026 0.000 2.056 155 R HA -0.023 4.316 4.340 -0.001 0.000 0.215 155 R C 2.131 178.438 176.300 0.012 0.000 1.205 155 R CA 1.474 57.584 56.100 0.017 0.000 1.020 155 R CB -0.380 29.926 30.300 0.009 0.000 0.911 155 R HN 0.631 nan 8.270 nan 0.000 0.451 156 C N -1.405 117.899 119.300 0.007 0.000 2.865 156 C HA 0.557 5.016 4.460 -0.001 0.000 0.280 156 C C 1.495 176.490 174.990 0.008 0.000 1.255 156 C CA 0.131 59.152 59.018 0.005 0.000 1.705 156 C CB 0.198 27.937 27.740 -0.002 0.000 2.080 156 C HN 0.758 nan 8.230 nan 0.000 0.591 157 G N 0.824 109.632 108.800 0.012 0.000 2.175 157 G HA2 0.099 4.058 3.960 -0.001 0.000 0.244 157 G HA3 0.099 4.058 3.960 -0.001 0.000 0.244 157 G C 0.328 175.235 174.900 0.013 0.000 0.982 157 G CA 0.215 45.323 45.100 0.014 0.000 0.641 157 G HN 1.587 nan 8.290 nan 0.000 0.527 158 A N 1.384 124.211 122.820 0.011 0.000 2.540 158 A HA 0.547 4.866 4.320 -0.001 0.000 0.239 158 A C -1.210 176.384 177.584 0.017 0.000 1.061 158 A CA 0.071 52.114 52.037 0.011 0.000 0.758 158 A CB 0.032 19.037 19.000 0.008 0.000 0.991 158 A HN 0.260 nan 8.150 nan 0.000 0.502 159 P HA 0.159 nan 4.420 nan 0.000 0.271 159 P C -0.683 176.632 177.300 0.024 0.000 1.216 159 P CA 0.189 63.299 63.100 0.017 0.000 0.776 159 P CB 0.293 32.002 31.700 0.015 0.000 0.881 160 D N -0.565 119.849 120.400 0.022 0.000 2.705 160 D HA -0.102 4.538 4.640 -0.001 0.000 0.240 160 D C -1.923 174.406 176.300 0.049 0.000 1.137 160 D CA 0.314 54.330 54.000 0.027 0.000 0.677 160 D CB -1.496 39.320 40.800 0.027 0.000 1.049 160 D HN 0.363 nan 8.370 nan 0.000 0.427 161 P HA 0.084 nan 4.420 nan 0.000 0.269 161 P C 0.320 177.699 177.300 0.132 0.000 1.209 161 P CA 0.296 63.456 63.100 0.100 0.000 0.776 161 P CB 0.826 32.578 31.700 0.087 0.000 0.876 162 E N -0.205 120.120 120.200 0.207 0.000 2.601 162 E HA 0.099 4.448 4.350 -0.001 0.000 0.219 162 E C 0.169 176.795 176.600 0.044 0.000 0.964 162 E CA -0.137 56.342 56.400 0.131 0.000 1.050 162 E CB 0.275 30.000 29.700 0.041 0.000 1.068 162 E HN 0.605 nan 8.360 nan 0.000 0.496 163 H N 0.672 119.745 119.070 0.006 0.000 2.670 163 H HA 0.314 4.870 4.556 -0.001 0.000 0.361 163 H C -2.457 172.750 175.328 -0.203 0.000 1.169 163 H CA -2.434 53.523 56.048 -0.152 0.000 1.198 163 H CB 1.698 31.395 29.762 -0.108 0.000 1.700 163 H HN -0.124 nan 8.280 nan 0.000 0.542 164 P HA -0.060 nan 4.420 nan 0.000 0.269 164 P C -0.279 177.031 177.300 0.017 0.000 1.209 164 P CA 0.194 63.152 63.100 -0.236 0.000 0.776 164 P CB 0.589 32.081 31.700 -0.347 0.000 0.876 165 D N 3.019 123.483 120.400 0.107 0.000 2.462 165 D HA 0.206 4.846 4.640 -0.001 0.000 0.249 165 D C -1.734 174.629 176.300 0.105 0.000 1.117 165 D CA -2.408 51.652 54.000 0.101 0.000 0.900 165 D CB 0.514 41.391 40.800 0.128 0.000 1.039 165 D HN 0.076 nan 8.370 nan 0.000 0.516 166 P HA -0.041 nan 4.420 nan 0.000 0.223 166 P C 1.460 178.802 177.300 0.071 0.000 1.151 166 P CA 0.566 63.711 63.100 0.074 0.000 0.787 166 P CB 0.533 32.263 31.700 0.051 0.000 0.788 167 L N -1.575 119.686 121.223 0.064 0.000 2.127 167 L HA 0.154 4.494 4.340 -0.001 0.000 0.203 167 L C 2.389 179.299 176.870 0.066 0.000 1.080 167 L CA 1.684 56.557 54.840 0.055 0.000 0.768 167 L CB -1.002 41.082 42.059 0.041 0.000 0.924 167 L HN 0.040 nan 8.230 nan 0.000 0.444 168 G N -1.992 106.862 108.800 0.091 0.000 3.079 168 G HA2 0.293 4.252 3.960 -0.001 0.000 0.233 168 G HA3 0.293 4.252 3.960 -0.001 0.000 0.233 168 G C 1.147 176.159 174.900 0.187 0.000 1.062 168 G CA 0.477 45.643 45.100 0.109 0.000 0.809 168 G HN 0.401 nan 8.290 nan 0.000 0.535 169 G N -0.077 108.843 108.800 0.200 0.000 2.179 169 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.257 169 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.257 169 G C 0.547 175.617 174.900 0.284 0.000 1.010 169 G CA 1.035 46.298 45.100 0.271 0.000 0.736 169 G HN 0.577 nan 8.290 nan 0.000 0.513 170 Q N -1.320 118.616 119.800 0.227 0.000 3.060 170 Q HA 0.810 5.149 4.340 -0.001 0.000 0.211 170 Q C 0.609 176.698 176.000 0.148 0.000 1.164 170 Q CA -0.377 55.515 55.803 0.149 0.000 0.373 170 Q CB 0.595 29.425 28.738 0.154 0.000 5.666 170 Q HN 0.393 nan 8.270 nan 0.000 0.318 171 L N 0.682 121.980 121.223 0.125 0.000 2.409 171 L HA 0.538 4.877 4.340 -0.001 0.000 0.262 171 L C -1.231 175.703 176.870 0.106 0.000 0.992 171 L CA -0.557 54.372 54.840 0.147 0.000 0.817 171 L CB 1.898 44.044 42.059 0.144 0.000 1.350 171 L HN 0.313 nan 8.230 nan 0.000 0.411 172 L N 1.041 122.327 121.223 0.105 0.000 2.333 172 L HA 0.596 4.935 4.340 -0.001 0.000 0.269 172 L C 0.072 176.970 176.870 0.045 0.000 1.010 172 L CA -0.838 54.033 54.840 0.052 0.000 0.818 172 L CB 2.163 44.230 42.059 0.014 0.000 1.306 172 L HN 0.782 nan 8.230 nan 0.000 0.430 173 C N -0.567 118.725 119.300 -0.013 0.000 2.563 173 C HA 0.250 4.709 4.460 -0.001 0.000 0.358 173 C C 2.063 176.888 174.990 -0.274 0.000 1.336 173 C CA 0.016 59.008 59.018 -0.043 0.000 2.454 173 C CB 0.876 28.601 27.740 -0.024 0.000 2.448 173 C HN 0.998 nan 8.230 nan 0.000 0.670 174 S N 0.684 116.207 115.700 -0.294 0.000 2.419 174 S HA -0.154 4.315 4.470 -0.001 0.000 0.233 174 S C 1.510 175.931 174.600 -0.298 0.000 1.016 174 S CA 1.230 59.131 58.200 -0.498 0.000 0.974 174 S CB -0.378 62.767 63.200 -0.092 0.000 0.786 174 S HN 0.840 nan 8.310 nan 0.000 0.492 175 K N 0.504 120.804 120.400 -0.166 0.000 2.186 175 K HA 0.211 4.530 4.320 -0.001 0.000 0.202 175 K C 2.007 178.545 176.600 -0.103 0.000 1.052 175 K CA 0.820 57.043 56.287 -0.106 0.000 0.965 175 K CB -0.768 31.696 32.500 -0.059 0.000 0.746 175 K HN 0.480 nan 8.250 nan 0.000 0.457 176 C N 0.983 120.215 119.300 -0.114 0.000 2.563 176 C HA 0.311 4.770 4.460 -0.001 0.000 0.268 176 C C 1.321 176.254 174.990 -0.095 0.000 1.365 176 C CA -0.713 58.257 59.018 -0.080 0.000 1.754 176 C CB -0.579 27.131 27.740 -0.050 0.000 1.932 176 C HN 0.292 nan 8.230 nan 0.000 0.536 177 A N 0.243 122.957 122.820 -0.175 0.000 2.316 177 A HA 0.655 4.974 4.320 -0.001 0.000 0.284 177 A C 0.824 178.344 177.584 -0.107 0.000 1.115 177 A CA 0.427 52.367 52.037 -0.162 0.000 0.812 177 A CB 0.378 19.182 19.000 -0.326 0.000 1.064 177 A HN 0.487 nan 8.150 nan 0.000 0.489 178 A N 2.015 124.809 122.820 -0.044 0.000 2.431 178 A HA 0.524 4.844 4.320 -0.001 0.000 0.239 178 A C 0.332 177.920 177.584 0.007 0.000 1.230 178 A CA 0.079 52.104 52.037 -0.019 0.000 0.928 178 A CB -0.073 18.920 19.000 -0.011 0.000 1.006 178 A HN 0.649 nan 8.150 nan 0.000 0.520 179 L N 0.767 122.007 121.223 0.029 0.000 2.322 179 L HA 0.446 4.785 4.340 -0.001 0.000 0.269 179 L C -2.379 174.561 176.870 0.117 0.000 1.012 179 L CA -2.540 52.323 54.840 0.038 0.000 0.815 179 L CB 1.634 43.686 42.059 -0.011 0.000 1.295 179 L HN -0.028 nan 8.230 nan 0.000 0.438 180 P HA 0.149 nan 4.420 nan 0.000 0.271 180 P C -2.613 174.556 177.300 -0.218 0.000 1.233 180 P CA -1.222 61.875 63.100 -0.005 0.000 0.789 180 P CB -0.553 31.129 31.700 -0.030 0.000 0.951 181 P HA 0.069 nan 4.420 nan 0.000 0.272 181 P C -0.427 176.691 177.300 -0.303 0.000 1.223 181 P CA 0.089 62.755 63.100 -0.722 0.000 0.784 181 P CB 0.195 31.531 31.700 -0.607 0.000 0.923 182 Y N 2.048 122.241 120.300 -0.177 0.000 2.597 182 Y HA 0.043 4.593 4.550 -0.001 0.000 0.336 182 Y C -0.960 174.894 175.900 -0.077 0.000 1.216 182 Y CA -1.484 56.568 58.100 -0.081 0.000 1.463 182 Y CB -0.489 37.946 38.460 -0.042 0.000 1.303 182 Y HN 0.348 nan 8.280 nan 0.000 0.576 183 P HA 0.015 nan 4.420 nan 0.000 0.272 183 P C -2.263 175.064 177.300 0.046 0.000 1.230 183 P CA -1.477 61.656 63.100 0.054 0.000 0.788 183 P CB 0.445 32.167 31.700 0.036 0.000 0.949 184 P HA -0.180 nan 4.420 nan 0.000 0.216 184 P C 1.372 178.684 177.300 0.020 0.000 1.153 184 P CA 2.036 65.149 63.100 0.021 0.000 0.858 184 P CB -0.476 31.231 31.700 0.012 0.000 0.789 185 A N -0.766 122.056 122.820 0.004 0.000 1.968 185 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 185 A C 2.343 179.933 177.584 0.009 0.000 1.169 185 A CA 1.320 53.357 52.037 0.001 0.000 0.638 185 A CB -1.538 17.438 19.000 -0.041 0.000 0.812 185 A HN 0.031 nan 8.150 nan 0.000 0.446 186 V N 0.074 119.973 119.914 -0.024 0.000 2.295 186 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 186 V C 2.529 178.569 176.094 -0.090 0.000 1.049 186 V CA 1.886 64.134 62.300 -0.086 0.000 1.024 186 V CB -0.710 31.035 31.823 -0.130 0.000 0.648 186 V HN 0.580 nan 8.190 nan 0.000 0.447 187 L N 0.122 121.323 121.223 -0.038 0.000 2.046 187 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 187 L C 2.386 179.242 176.870 -0.023 0.000 1.077 187 L CA 2.329 57.154 54.840 -0.025 0.000 0.747 187 L CB -0.508 41.572 42.059 0.035 0.000 0.896 187 L HN 0.505 nan 8.230 nan 0.000 0.432 188 D N -0.582 119.843 120.400 0.041 0.000 2.117 188 D HA -0.284 4.355 4.640 -0.001 0.000 0.198 188 D C 2.060 178.425 176.300 0.107 0.000 0.982 188 D CA 1.079 55.148 54.000 0.115 0.000 0.828 188 D CB -0.103 40.774 40.800 0.129 0.000 0.967 188 D HN 0.224 nan 8.370 nan 0.000 0.464 189 F N 0.870 120.783 119.950 -0.062 0.000 2.069 189 F HA -0.105 4.421 4.527 -0.001 0.000 0.298 189 F C 1.953 177.601 175.800 -0.253 0.000 1.113 189 F CA 1.429 59.351 58.000 -0.130 0.000 1.214 189 F CB -0.340 38.567 39.000 -0.155 0.000 0.978 189 F HN -0.003 nan 8.300 nan 0.000 0.474 190 L N -0.060 121.062 121.223 -0.168 0.000 2.079 190 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 190 L C 2.553 179.227 176.870 -0.326 0.000 1.081 190 L CA 1.574 56.248 54.840 -0.276 0.000 0.752 190 L CB -0.629 41.311 42.059 -0.198 0.000 0.896 190 L HN 0.114 nan 8.230 nan 0.000 0.433 191 R N -1.551 118.733 120.500 -0.361 0.000 2.193 191 R HA -0.041 4.298 4.340 -0.001 0.000 0.213 191 R C 1.427 177.293 176.300 -0.722 0.000 1.055 191 R CA 0.679 56.447 56.100 -0.553 0.000 0.995 191 R CB 0.046 29.926 30.300 -0.700 0.000 0.893 191 R HN 0.464 nan 8.270 nan 0.000 0.459 192 H N -2.022 116.907 119.070 -0.235 0.000 3.360 192 H HA 0.303 4.858 4.556 -0.001 0.000 0.262 192 H C 1.441 176.576 175.328 -0.323 0.000 1.149 192 H CA 0.342 56.258 56.048 -0.221 0.000 1.181 192 H CB 0.687 30.355 29.762 -0.158 0.000 1.564 192 H HN 0.144 nan 8.280 nan 0.000 0.565 193 A N 1.025 123.552 122.820 -0.488 0.000 1.933 193 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 193 A C 2.410 179.792 177.584 -0.338 0.000 1.175 193 A CA 1.471 53.090 52.037 -0.696 0.000 0.628 193 A CB -0.643 17.395 19.000 -1.603 0.000 0.814 193 A HN 0.140 nan 8.150 nan 0.000 0.444 194 V N 0.141 119.922 119.914 -0.222 0.000 2.427 194 V HA -0.210 3.909 4.120 -0.001 0.000 0.248 194 V C 2.664 178.708 176.094 -0.083 0.000 1.051 194 V CA 2.234 64.469 62.300 -0.109 0.000 1.048 194 V CB -0.744 31.032 31.823 -0.077 0.000 0.666 194 V HN 0.738 nan 8.190 nan 0.000 0.456 195 R N 0.361 120.815 120.500 -0.078 0.000 2.128 195 R HA 0.040 4.379 4.340 -0.001 0.000 0.211 195 R C 1.456 177.720 176.300 -0.061 0.000 1.067 195 R CA -0.003 56.068 56.100 -0.048 0.000 1.010 195 R CB 0.025 30.316 30.300 -0.016 0.000 0.922 195 R HN 0.326 nan 8.270 nan 0.000 0.457 196 R N 2.101 122.555 120.500 -0.078 0.000 2.640 196 R HA -0.025 4.315 4.340 -0.001 0.000 0.270 196 R C -0.185 176.048 176.300 -0.112 0.000 1.024 196 R CA 0.630 56.676 56.100 -0.091 0.000 1.085 196 R CB 0.624 30.865 30.300 -0.099 0.000 0.963 196 R HN 0.285 nan 8.270 nan 0.000 0.426 197 T N -0.137 114.352 114.554 -0.109 0.000 2.932 197 T HA 0.011 4.360 4.350 -0.001 0.000 0.312 197 T C 1.645 176.216 174.700 -0.215 0.000 1.071 197 T CA -0.270 61.748 62.100 -0.137 0.000 1.128 197 T CB 1.008 69.807 68.868 -0.115 0.000 0.984 197 T HN 0.491 nan 8.240 nan 0.000 0.549 198 V N 1.001 120.733 119.914 -0.304 0.000 2.515 198 V HA -0.089 4.030 4.120 -0.001 0.000 0.250 198 V C 2.696 178.282 176.094 -0.846 0.000 1.058 198 V CA 1.680 63.629 62.300 -0.585 0.000 1.064 198 V CB -1.212 30.242 31.823 -0.616 0.000 0.675 198 V HN 0.961 nan 8.190 nan 0.000 0.461 199 R N 0.977 121.178 120.500 -0.498 0.000 2.080 199 R HA -0.128 4.211 4.340 -0.001 0.000 0.236 199 R C 2.417 178.640 176.300 -0.128 0.000 1.137 199 R CA 2.056 57.987 56.100 -0.283 0.000 0.943 199 R CB -0.852 29.379 30.300 -0.115 0.000 0.846 199 R HN 0.589 nan 8.270 nan 0.000 0.431 200 A N -0.066 122.691 122.820 -0.106 0.000 1.892 200 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 200 A C 2.241 179.845 177.584 0.034 0.000 1.188 200 A CA 2.172 54.190 52.037 -0.032 0.000 0.631 200 A CB -0.759 18.211 19.000 -0.051 0.000 0.822 200 A HN 0.459 nan 8.150 nan 0.000 0.447 201 S N -0.965 114.738 115.700 0.005 0.000 2.382 201 S HA -0.064 4.405 4.470 -0.001 0.000 0.228 201 S C 1.588 176.497 174.600 0.515 0.000 1.027 201 S CA 1.108 59.425 58.200 0.196 0.000 0.991 201 S CB -0.588 62.658 63.200 0.078 0.000 0.823 201 S HN 0.618 nan 8.310 nan 0.000 0.469 202 F N 2.008 122.112 119.950 0.257 0.000 2.250 202 F HA -0.136 4.390 4.527 -0.001 0.000 0.301 202 F C 2.653 178.594 175.800 0.234 0.000 1.077 202 F CA 0.907 59.100 58.000 0.323 0.000 1.348 202 F CB -0.166 38.927 39.000 0.155 0.000 1.040 202 F HN 0.396 nan 8.300 nan 0.000 0.509 203 E N 0.842 121.236 120.200 0.324 0.000 2.371 203 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 203 E C 0.441 177.094 176.600 0.089 0.000 1.012 203 E CA 0.490 56.985 56.400 0.159 0.000 0.860 203 E CB -0.077 29.685 29.700 0.103 0.000 0.811 203 E HN 0.463 nan 8.360 nan 0.000 0.502 204 Q N 2.382 122.265 119.800 0.138 0.000 2.769 204 Q HA 0.305 4.644 4.340 -0.001 0.000 0.375 204 Q C -2.331 173.581 176.000 -0.148 0.000 0.996 204 Q CA -1.911 53.909 55.803 0.029 0.000 1.042 204 Q CB 1.272 30.063 28.738 0.089 0.000 1.329 204 Q HN 0.258 nan 8.270 nan 0.000 0.427 205 P HA 0.007 nan 4.420 nan 0.000 0.268 205 P C 0.088 176.739 177.300 -1.082 0.000 1.205 205 P CA -0.006 62.205 63.100 -1.483 0.000 0.771 205 P CB 1.145 32.143 31.700 -1.170 0.000 0.858 206 V N 5.561 124.600 119.914 -1.459 0.000 2.546 206 V HA 0.191 4.310 4.120 -0.001 0.000 0.284 206 V C -1.782 173.999 176.094 -0.523 0.000 1.050 206 V CA -1.573 60.320 62.300 -0.679 0.000 0.981 206 V CB 0.564 32.106 31.823 -0.468 0.000 0.990 206 V HN 0.583 nan 8.190 nan 0.000 0.474 207 P HA 0.052 nan 4.420 nan 0.000 0.269 207 P C 0.877 178.092 177.300 -0.142 0.000 1.215 207 P CA 0.134 63.112 63.100 -0.204 0.000 0.780 207 P CB 0.566 32.186 31.700 -0.133 0.000 0.898 208 S N 2.003 117.648 115.700 -0.091 0.000 2.400 208 S HA -0.210 4.259 4.470 -0.001 0.000 0.232 208 S C 1.857 176.462 174.600 0.009 0.000 1.025 208 S CA 1.553 59.740 58.200 -0.021 0.000 0.993 208 S CB -0.948 62.252 63.200 0.000 0.000 0.808 208 S HN 0.477 nan 8.310 nan 0.000 0.478 209 A N 1.105 123.920 122.820 -0.008 0.000 1.972 209 A HA -0.075 4.244 4.320 -0.001 0.000 0.219 209 A C 1.753 179.348 177.584 0.018 0.000 1.169 209 A CA 1.715 53.759 52.037 0.011 0.000 0.635 209 A CB -0.545 18.455 19.000 0.000 0.000 0.810 209 A HN 0.592 nan 8.150 nan 0.000 0.446 210 D N -1.089 119.304 120.400 -0.012 0.000 2.340 210 D HA 0.044 4.683 4.640 -0.001 0.000 0.220 210 D C 1.908 178.198 176.300 -0.018 0.000 1.039 210 D CA 0.236 54.228 54.000 -0.014 0.000 0.866 210 D CB -0.098 40.670 40.800 -0.053 0.000 0.913 210 D HN 0.460 nan 8.370 nan 0.000 0.523 211 R N 0.531 121.036 120.500 0.009 0.000 2.093 211 R HA -0.017 4.322 4.340 -0.001 0.000 0.224 211 R C -0.591 175.790 176.300 0.135 0.000 1.101 211 R CA 0.715 56.825 56.100 0.017 0.000 0.979 211 R CB -0.953 29.403 30.300 0.094 0.000 0.877 211 R HN 0.148 nan 8.270 nan 0.000 0.441 212 P HA -0.189 nan 4.420 nan 0.000 0.216 212 P C 0.976 178.417 177.300 0.236 0.000 1.150 212 P CA 1.848 65.118 63.100 0.284 0.000 0.843 212 P CB -0.003 31.813 31.700 0.194 0.000 0.787 213 A N -0.639 122.278 122.820 0.163 0.000 1.908 213 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 213 A C 2.212 179.871 177.584 0.126 0.000 1.181 213 A CA 1.594 53.740 52.037 0.182 0.000 0.627 213 A CB -1.662 17.456 19.000 0.196 0.000 0.818 213 A HN 0.128 nan 8.150 nan 0.000 0.445 214 L N -2.763 118.455 121.223 -0.008 0.000 2.046 214 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 214 L C 2.647 179.558 176.870 0.068 0.000 1.077 214 L CA 1.418 56.205 54.840 -0.088 0.000 0.747 214 L CB -0.597 41.217 42.059 -0.408 0.000 0.896 214 L HN 0.613 nan 8.230 nan 0.000 0.432 215 W N 0.245 121.648 121.300 0.173 0.000 2.381 215 W HA -0.114 4.546 4.660 -0.001 0.000 0.301 215 W C 2.869 179.502 176.519 0.190 0.000 1.205 215 W CA 0.485 57.945 57.345 0.191 0.000 1.285 215 W CB -0.120 29.434 29.460 0.157 0.000 1.133 215 W HN -0.029 nan 8.180 nan 0.000 0.521 216 R N -0.062 120.669 120.500 0.385 0.000 2.075 216 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 216 R C 2.329 178.792 176.300 0.272 0.000 1.126 216 R CA 1.454 57.724 56.100 0.284 0.000 0.963 216 R CB -0.866 29.573 30.300 0.230 0.000 0.858 216 R HN 0.165 nan 8.270 nan 0.000 0.435 217 A N 1.262 124.250 122.820 0.281 0.000 1.898 217 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 217 A C 2.089 179.836 177.584 0.271 0.000 1.181 217 A CA 0.998 53.200 52.037 0.275 0.000 0.620 217 A CB -0.481 18.672 19.000 0.255 0.000 0.819 217 A HN 0.241 nan 8.150 nan 0.000 0.442 218 L N 0.190 121.570 121.223 0.261 0.000 2.012 218 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 218 L C 2.212 179.311 176.870 0.381 0.000 1.073 218 L CA 2.549 57.490 54.840 0.168 0.000 0.748 218 L CB -0.636 41.446 42.059 0.037 0.000 0.891 218 L HN 0.534 nan 8.230 nan 0.000 0.431 219 E N -0.738 119.710 120.200 0.414 0.000 2.051 219 E HA -0.277 4.073 4.350 -0.001 0.000 0.192 219 E C 2.123 178.837 176.600 0.190 0.000 0.991 219 E CA 1.288 57.883 56.400 0.325 0.000 0.799 219 E CB -0.117 29.669 29.700 0.144 0.000 0.748 219 E HN 0.248 nan 8.360 nan 0.000 0.449 220 K N 0.961 121.474 120.400 0.189 0.000 2.002 220 K HA -0.167 4.152 4.320 -0.001 0.000 0.209 220 K C 1.791 178.484 176.600 0.156 0.000 1.048 220 K CA 1.175 57.549 56.287 0.145 0.000 0.930 220 K CB -0.695 31.905 32.500 0.166 0.000 0.714 220 K HN 0.060 nan 8.250 nan 0.000 0.438 221 F N 0.450 120.444 119.950 0.073 0.000 2.069 221 F HA -0.193 4.334 4.527 -0.001 0.000 0.298 221 F C 1.864 177.673 175.800 0.015 0.000 1.113 221 F CA 1.662 59.688 58.000 0.043 0.000 1.214 221 F CB -0.548 38.474 39.000 0.037 0.000 0.978 221 F HN -0.118 nan 8.300 nan 0.000 0.474 222 V N -0.422 119.519 119.914 0.044 0.000 2.343 222 V HA -0.303 3.816 4.120 -0.001 0.000 0.247 222 V C 2.334 178.240 176.094 -0.313 0.000 1.051 222 V CA 2.391 64.622 62.300 -0.115 0.000 1.036 222 V CB -1.092 30.825 31.823 0.157 0.000 0.654 222 V HN 0.427 nan 8.190 nan 0.000 0.451 223 T N -0.186 114.193 114.554 -0.293 0.000 2.821 223 T HA -0.131 4.218 4.350 -0.001 0.000 0.267 223 T C 1.908 176.538 174.700 -0.117 0.000 1.046 223 T CA 1.521 63.438 62.100 -0.305 0.000 1.139 223 T CB -0.095 68.686 68.868 -0.145 0.000 0.871 223 T HN 0.281 nan 8.240 nan 0.000 0.454 224 V N 1.358 121.202 119.914 -0.118 0.000 2.379 224 V HA -0.097 4.023 4.120 -0.001 0.000 0.245 224 V C 2.649 178.651 176.094 -0.153 0.000 1.044 224 V CA 1.353 63.594 62.300 -0.098 0.000 1.036 224 V CB -0.425 31.359 31.823 -0.066 0.000 0.664 224 V HN 0.420 nan 8.190 nan 0.000 0.453 225 Q N -0.473 119.149 119.800 -0.297 0.000 2.212 225 Q HA 0.095 4.434 4.340 -0.001 0.000 0.199 225 Q C 0.462 176.356 176.000 -0.177 0.000 0.950 225 Q CA 0.758 56.367 55.803 -0.324 0.000 0.863 225 Q CB 0.449 28.802 28.738 -0.641 0.000 0.944 225 Q HN 0.485 nan 8.270 nan 0.000 0.465 226 V N 0.655 120.506 119.914 -0.105 0.000 2.495 226 V HA 0.469 4.589 4.120 -0.001 0.000 0.298 226 V C 0.401 176.597 176.094 0.170 0.000 1.031 226 V CA -0.839 61.474 62.300 0.020 0.000 0.871 226 V CB 1.392 33.255 31.823 0.068 0.000 0.988 226 V HN 0.204 nan 8.190 nan 0.000 0.432 227 G N 2.369 111.215 108.800 0.078 0.000 2.554 227 G HA2 0.536 4.495 3.960 -0.001 0.000 0.238 227 G HA3 0.536 4.495 3.960 -0.001 0.000 0.238 227 G C 0.348 175.245 174.900 -0.004 0.000 1.259 227 G CA 0.729 45.865 45.100 0.061 0.000 0.843 227 G HN 1.569 nan 8.290 nan 0.000 0.582 228 G N -1.221 107.537 108.800 -0.071 0.000 2.346 228 G HA2 0.288 4.247 3.960 -0.001 0.000 0.294 228 G HA3 0.288 4.247 3.960 -0.001 0.000 0.294 228 G C 0.638 175.412 174.900 -0.211 0.000 1.294 228 G CA 0.430 45.391 45.100 -0.232 0.000 0.962 228 G HN 1.823 nan 8.290 nan 0.000 0.508 229 V N -3.801 115.974 119.914 -0.232 0.000 2.992 229 V HA 0.277 4.397 4.120 -0.001 0.000 0.250 229 V C 1.349 177.399 176.094 -0.074 0.000 1.090 229 V CA 1.814 64.050 62.300 -0.107 0.000 1.101 229 V CB -0.973 30.806 31.823 -0.073 0.000 0.743 229 V HN 1.399 nan 8.190 nan 0.000 0.468 230 H N 1.569 120.661 119.070 0.035 0.000 2.692 230 H HA -0.152 4.403 4.556 -0.001 0.000 0.316 230 H C 1.788 176.942 175.328 -0.290 0.000 1.176 230 H CA 0.944 56.966 56.048 -0.043 0.000 1.142 230 H CB -1.745 27.984 29.762 -0.055 0.000 1.475 230 H HN 0.841 nan 8.280 nan 0.000 0.423 231 S N -0.722 114.947 115.700 -0.051 0.000 2.469 231 S HA -0.145 4.324 4.470 -0.001 0.000 0.238 231 S C 2.022 176.597 174.600 -0.042 0.000 0.998 231 S CA 0.668 58.833 58.200 -0.059 0.000 0.957 231 S CB -0.618 62.579 63.200 -0.005 0.000 0.764 231 S HN 0.719 nan 8.310 nan 0.000 0.514 232 W N 2.086 123.420 121.300 0.057 0.000 2.387 232 W HA -0.012 4.647 4.660 -0.002 0.000 0.272 232 W C 1.354 177.903 176.519 0.049 0.000 1.224 232 W CA 0.565 57.947 57.345 0.061 0.000 1.210 232 W CB -0.795 28.767 29.460 0.170 0.000 1.125 232 W HN 0.277 nan 8.180 nan 0.000 0.572 233 R N 0.799 120.880 120.500 -0.699 0.000 2.237 233 R HA -0.118 4.221 4.340 -0.001 0.000 0.219 233 R C 2.371 178.509 176.300 -0.270 0.000 1.080 233 R CA 1.261 56.982 56.100 -0.631 0.000 0.995 233 R CB -0.368 29.501 30.300 -0.719 0.000 0.875 233 R HN 0.095 nan 8.270 nan 0.000 0.462 234 Q N 0.308 120.002 119.800 -0.176 0.000 2.234 234 Q HA -0.115 4.224 4.340 -0.001 0.000 0.206 234 Q C 1.555 177.495 176.000 -0.101 0.000 0.980 234 Q CA 1.248 56.986 55.803 -0.109 0.000 0.869 234 Q CB 0.066 28.764 28.738 -0.068 0.000 0.912 234 Q HN 0.439 nan 8.270 nan 0.000 0.436 235 L N -0.183 120.985 121.223 -0.092 0.000 2.607 235 L HA 0.133 4.472 4.340 -0.001 0.000 0.228 235 L C 0.377 177.120 176.870 -0.211 0.000 1.123 235 L CA -0.318 54.452 54.840 -0.117 0.000 0.890 235 L CB 0.510 42.515 42.059 -0.090 0.000 1.103 235 L HN -0.167 nan 8.230 nan 0.000 0.468 236 V N 1.674 121.445 119.914 -0.237 0.000 2.637 236 V HA 0.094 4.213 4.120 -0.001 0.000 0.296 236 V C -1.813 174.014 176.094 -0.445 0.000 1.046 236 V CA -1.226 60.787 62.300 -0.478 0.000 1.066 236 V CB 0.357 31.964 31.823 -0.359 0.000 0.968 236 V HN 0.046 nan 8.190 nan 0.000 0.483 237 P HA 0.058 nan 4.420 nan 0.000 0.260 237 P C 0.001 177.208 177.300 -0.154 0.000 1.172 237 P CA 0.580 63.527 63.100 -0.255 0.000 0.760 237 P CB 0.342 31.986 31.700 -0.094 0.000 0.773 238 S N 1.073 116.718 115.700 -0.093 0.000 3.067 238 S HA 0.517 4.986 4.470 -0.001 0.000 0.253 238 S C 0.150 174.735 174.600 -0.026 0.000 0.942 238 S CA 0.111 58.279 58.200 -0.054 0.000 1.197 238 S CB 0.455 63.612 63.200 -0.072 0.000 1.143 238 S HN 0.849 nan 8.310 nan 0.000 0.638 239 G N 0.255 109.046 108.800 -0.015 0.000 2.375 239 G HA2 0.387 4.346 3.960 -0.001 0.000 0.663 239 G HA3 0.387 4.346 3.960 -0.001 0.000 0.663 239 G C -1.111 173.785 174.900 -0.006 0.000 1.391 239 G CA -0.469 44.630 45.100 -0.003 0.000 0.949 239 G HN 0.822 nan 8.290 nan 0.000 0.646 240 V N 1.409 121.326 119.914 0.005 0.000 2.370 240 V HA 0.808 4.927 4.120 -0.001 0.000 0.279 240 V C -0.851 175.243 176.094 -0.000 0.000 1.029 240 V CA -1.671 60.632 62.300 0.004 0.000 0.870 240 V CB 0.633 32.465 31.823 0.016 0.000 0.984 240 V HN 0.767 nan 8.190 nan 0.000 0.451 241 P HA 0.207 nan 4.420 nan 0.000 0.266 241 P C 1.081 178.380 177.300 -0.002 0.000 1.186 241 P CA -0.243 62.853 63.100 -0.006 0.000 0.767 241 P CB 0.860 32.554 31.700 -0.009 0.000 0.820 242 V N 1.594 121.507 119.914 -0.002 0.000 2.251 242 V HA -0.031 4.088 4.120 -0.001 0.000 0.230 242 V C 1.082 177.176 176.094 -0.000 0.000 1.032 242 V CA 1.130 63.430 62.300 -0.000 0.000 0.997 242 V CB -0.752 31.070 31.823 -0.001 0.000 0.643 242 V HN 0.375 nan 8.190 nan 0.000 0.462 243 L N -1.142 120.080 121.223 -0.002 0.000 2.518 243 L HA 0.480 4.819 4.340 -0.001 0.000 0.257 243 L C -0.603 176.264 176.870 -0.004 0.000 0.980 243 L CA -0.115 54.724 54.840 -0.002 0.000 0.837 243 L CB 2.263 44.322 42.059 -0.001 0.000 1.410 243 L HN 0.340 nan 8.230 nan 0.000 0.410 244 S N 0.000 115.697 115.700 -0.004 0.000 2.498 244 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 244 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 244 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 244 S HN 0.000 nan 8.310 nan 0.000 0.517