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 1pvn_1_D DATA FIRST_RESID 2 DATA SEQUENCE AKYYNEPCHT FNEYLLIPGL STVDCIPSNV NLSTPLVKFQ KGQQSEINLK DATA SEQUENCE IPLVSAIMQS VSGEKMAIAL AREGGISFIF GSQSIESQAA MVHAVKNFXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXR YLVGAGINTR DFRERVPALV DATA SEQUENCE EAGADVLCID SSDGFSEWQK ITIGWIREKY GDKVKVGAGN IVDGEGFRYL DATA SEQUENCE ADAGADFIKI GIGGGSICIT REQKGIGRGQ ATAVIDVVAE RNKYFEETGI DATA SEQUENCE YIPVCSDGGI VYDYHMTLAL AMGADFIMLG RYFARFEESP TRKVTINGSV DATA SEQUENCE MKEYWGEGSS RARNWQRYDL GGKQKLSFEE GVDSYVPYAG KLKDNVEASL DATA SEQUENCE NKVKSTMCNC GALTIPQLQS KAKITLVSSV SIVEGGAHDV IVK 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.452 177.584 -0.219 0.000 1.274 2 A CA 0.000 51.946 52.037 -0.152 0.000 0.836 2 A CB 0.000 18.850 19.000 -0.250 0.000 0.831 3 K N 0.738 120.921 120.400 -0.362 0.000 2.221 3 K HA 0.708 5.029 4.320 0.001 0.000 0.258 3 K C -1.651 174.595 176.600 -0.590 0.000 0.944 3 K CA -0.301 55.781 56.287 -0.342 0.000 0.823 3 K CB 0.881 33.216 32.500 -0.274 0.000 1.113 3 K HN 0.626 nan 8.250 nan 0.000 0.431 4 Y N 1.379 121.545 120.300 -0.223 0.000 2.659 4 Y HA 0.415 4.966 4.550 0.001 0.000 0.333 4 Y C -0.756 174.919 175.900 -0.375 0.000 1.064 4 Y CA -0.696 57.315 58.100 -0.149 0.000 1.141 4 Y CB 1.241 39.685 38.460 -0.027 0.000 1.316 4 Y HN 0.426 nan 8.280 nan 0.000 0.509 5 Y N -0.492 119.912 120.300 0.175 0.000 2.562 5 Y HA 0.326 4.876 4.550 0.001 0.000 0.343 5 Y C 0.738 176.687 175.900 0.083 0.000 1.025 5 Y CA -1.249 56.908 58.100 0.095 0.000 1.082 5 Y CB 1.079 39.574 38.460 0.057 0.000 1.264 5 Y HN 0.522 nan 8.280 nan 0.000 0.478 6 N N 0.460 119.282 118.700 0.203 0.000 2.331 6 N HA -0.051 4.690 4.740 0.001 0.000 0.180 6 N C -0.334 175.249 175.510 0.121 0.000 1.019 6 N CA 0.952 54.079 53.050 0.128 0.000 0.881 6 N CB 0.313 38.858 38.487 0.096 0.000 0.972 6 N HN 0.630 nan 8.380 nan 0.000 0.435 7 E N 0.158 120.444 120.200 0.144 0.000 2.343 7 E HA 0.401 4.751 4.350 0.001 0.000 0.270 7 E C -2.294 174.334 176.600 0.047 0.000 0.895 7 E CA -1.589 54.874 56.400 0.104 0.000 0.767 7 E CB 2.139 31.918 29.700 0.132 0.000 1.248 7 E HN 0.019 nan 8.360 nan 0.000 0.440 8 P HA 0.235 nan 4.420 nan 0.000 0.276 8 P C 0.023 177.109 177.300 -0.357 0.000 1.252 8 P CA -0.453 62.544 63.100 -0.171 0.000 0.802 8 P CB 0.506 32.092 31.700 -0.191 0.000 1.035 9 C N 0.739 119.835 119.300 -0.339 0.000 2.534 9 C HA 0.612 5.072 4.460 0.001 0.000 0.385 9 C C 0.238 174.940 174.990 -0.481 0.000 1.264 9 C CA -0.384 58.447 59.018 -0.311 0.000 2.342 9 C CB -0.952 26.663 27.740 -0.209 0.000 2.564 9 C HN 0.625 nan 8.230 nan 0.000 0.603 10 H N -1.070 117.993 119.070 -0.013 0.000 2.907 10 H HA 0.805 5.361 4.556 0.001 0.000 0.361 10 H C 0.075 175.415 175.328 0.020 0.000 1.194 10 H CA -0.231 55.825 56.048 0.012 0.000 1.152 10 H CB 1.873 31.648 29.762 0.022 0.000 1.867 10 H HN 0.940 nan 8.280 nan 0.000 0.561 11 T N -0.843 113.812 114.554 0.168 0.000 2.804 11 T HA 0.243 4.594 4.350 0.001 0.000 0.290 11 T C 0.748 175.506 174.700 0.097 0.000 1.099 11 T CA -0.671 61.384 62.100 -0.075 0.000 1.011 11 T CB 0.455 69.177 68.868 -0.242 0.000 1.291 11 T HN 0.494 nan 8.240 nan 0.000 0.523 12 F N 1.081 121.016 119.950 -0.024 0.000 2.063 12 F HA -0.277 4.251 4.527 0.001 0.000 0.296 12 F C 2.455 178.272 175.800 0.029 0.000 1.093 12 F CA 2.020 59.898 58.000 -0.202 0.000 1.229 12 F CB -0.431 37.991 39.000 -0.964 0.000 0.971 12 F HN 0.598 nan 8.300 nan 0.000 0.491 13 N N -0.237 118.616 118.700 0.254 0.000 2.430 13 N HA -0.172 4.569 4.740 0.001 0.000 0.186 13 N C 1.040 176.739 175.510 0.316 0.000 1.032 13 N CA 0.838 54.140 53.050 0.420 0.000 0.893 13 N CB -0.195 38.509 38.487 0.360 0.000 0.957 13 N HN 0.499 nan 8.380 nan 0.000 0.442 14 E N -0.703 119.628 120.200 0.219 0.000 2.489 14 E HA 0.004 4.355 4.350 0.001 0.000 0.193 14 E C -0.617 175.881 176.600 -0.170 0.000 1.057 14 E CA 0.236 56.624 56.400 -0.021 0.000 0.866 14 E CB 0.325 29.912 29.700 -0.188 0.000 0.916 14 E HN 0.363 nan 8.360 nan 0.000 0.500 15 Y N 0.016 120.410 120.300 0.158 0.000 2.549 15 Y HA 0.565 5.115 4.550 0.001 0.000 0.339 15 Y C -0.057 175.948 175.900 0.176 0.000 1.053 15 Y CA -0.904 57.279 58.100 0.138 0.000 1.105 15 Y CB 1.485 40.031 38.460 0.144 0.000 1.258 15 Y HN -0.199 nan 8.280 nan 0.000 0.478 16 L N 2.169 123.560 121.223 0.280 0.000 2.465 16 L HA 0.511 4.851 4.340 0.001 0.000 0.257 16 L C -1.386 175.568 176.870 0.139 0.000 0.988 16 L CA -0.862 54.075 54.840 0.163 0.000 0.827 16 L CB 2.602 44.698 42.059 0.062 0.000 1.397 16 L HN 0.436 nan 8.230 nan 0.000 0.410 17 L N 2.783 124.064 121.223 0.096 0.000 2.307 17 L HA 0.507 4.848 4.340 0.001 0.000 0.282 17 L C -0.517 176.377 176.870 0.041 0.000 1.051 17 L CA -0.405 54.478 54.840 0.072 0.000 0.804 17 L CB 1.691 43.787 42.059 0.063 0.000 1.197 17 L HN 0.400 nan 8.230 nan 0.000 0.431 18 I N 4.667 125.259 120.570 0.038 0.000 2.312 18 I HA 0.263 4.434 4.170 0.001 0.000 0.290 18 I C -2.008 174.120 176.117 0.019 0.000 1.008 18 I CA -1.908 59.406 61.300 0.023 0.000 1.226 18 I CB 1.398 39.412 38.000 0.023 0.000 1.371 18 I HN 0.298 nan 8.210 nan 0.000 0.468 19 P HA 0.027 nan 4.420 nan 0.000 0.265 19 P C 0.188 177.494 177.300 0.010 0.000 1.187 19 P CA 0.088 63.194 63.100 0.010 0.000 0.766 19 P CB 0.671 32.374 31.700 0.004 0.000 0.820 20 G N 1.600 110.406 108.800 0.010 0.000 2.828 20 G HA2 0.481 4.442 3.960 0.001 0.000 0.244 20 G HA3 0.481 4.442 3.960 0.001 0.000 0.244 20 G C -1.064 173.840 174.900 0.007 0.000 1.365 20 G CA -0.604 44.502 45.100 0.010 0.000 1.041 20 G HN 0.519 nan 8.290 nan 0.000 0.560 21 L N 0.684 121.911 121.223 0.007 0.000 2.410 21 L HA 0.495 4.835 4.340 0.001 0.000 0.273 21 L C 0.136 177.008 176.870 0.004 0.000 1.144 21 L CA -0.014 54.829 54.840 0.005 0.000 0.863 21 L CB 0.947 43.010 42.059 0.005 0.000 1.140 21 L HN 0.193 nan 8.230 nan 0.000 0.463 22 S N 3.223 118.925 115.700 0.003 0.000 2.422 22 S HA 0.483 4.953 4.470 0.001 0.000 0.308 22 S C 0.086 174.687 174.600 0.002 0.000 1.097 22 S CA -0.475 57.726 58.200 0.002 0.000 1.099 22 S CB 0.748 63.949 63.200 0.001 0.000 0.976 22 S HN 0.855 nan 8.310 nan 0.000 0.471 23 T N -0.810 113.745 114.554 0.002 0.000 2.847 23 T HA 0.292 4.642 4.350 0.001 0.000 0.279 23 T C 1.745 176.445 174.700 0.000 0.000 0.984 23 T CA -0.503 61.598 62.100 0.001 0.000 0.988 23 T CB 0.560 69.429 68.868 0.002 0.000 1.040 23 T HN 0.418 nan 8.240 nan 0.000 0.528 24 V N -0.900 119.014 119.914 -0.000 0.000 2.720 24 V HA -0.073 4.048 4.120 0.001 0.000 0.256 24 V C 1.622 177.716 176.094 -0.001 0.000 1.082 24 V CA 1.836 64.136 62.300 -0.001 0.000 1.101 24 V CB -1.558 30.265 31.823 -0.001 0.000 0.693 24 V HN 0.970 nan 8.190 nan 0.000 0.479 25 D N -0.990 119.410 120.400 -0.001 0.000 2.340 25 D HA 0.021 4.661 4.640 0.001 0.000 0.220 25 D C 0.811 177.110 176.300 -0.001 0.000 1.039 25 D CA 0.200 54.200 54.000 -0.001 0.000 0.866 25 D CB -0.820 39.979 40.800 -0.001 0.000 0.913 25 D HN 0.470 nan 8.370 nan 0.000 0.523 26 C N 1.940 121.240 119.300 -0.001 0.000 3.025 26 C HA 0.344 4.804 4.460 0.001 0.000 0.547 26 C C 0.191 175.181 174.990 -0.001 0.000 1.058 26 C CA -0.851 58.167 59.018 -0.000 0.000 1.164 26 C CB -2.289 25.451 27.740 0.001 0.000 1.405 26 C HN 0.353 nan 8.230 nan 0.000 0.610 27 I N 2.850 123.419 120.570 -0.002 0.000 2.412 27 I HA 0.267 4.437 4.170 0.001 0.000 0.296 27 I C -1.478 174.638 176.117 -0.002 0.000 0.987 27 I CA -2.021 59.278 61.300 -0.002 0.000 1.180 27 I CB 1.879 39.878 38.000 -0.003 0.000 1.340 27 I HN 0.098 nan 8.210 nan 0.000 0.455 28 P HA -0.219 nan 4.420 nan 0.000 0.217 28 P C 1.508 178.806 177.300 -0.002 0.000 1.151 28 P CA 1.430 64.528 63.100 -0.002 0.000 0.849 28 P CB 0.129 31.828 31.700 -0.002 0.000 0.787 29 S N -1.893 113.805 115.700 -0.003 0.000 2.447 29 S HA -0.082 4.388 4.470 0.001 0.000 0.233 29 S C 1.628 176.226 174.600 -0.004 0.000 1.006 29 S CA 0.965 59.163 58.200 -0.003 0.000 0.957 29 S CB -1.012 62.186 63.200 -0.004 0.000 0.773 29 S HN 0.088 nan 8.310 nan 0.000 0.507 30 N N 1.103 119.801 118.700 -0.004 0.000 2.336 30 N HA 0.205 4.945 4.740 0.001 0.000 0.189 30 N C -0.342 175.165 175.510 -0.004 0.000 1.113 30 N CA 0.067 53.115 53.050 -0.004 0.000 0.858 30 N CB 0.244 38.729 38.487 -0.004 0.000 0.970 30 N HN 0.278 nan 8.380 nan 0.000 0.471 31 V N 2.234 122.146 119.914 -0.003 0.000 2.508 31 V HA 0.043 4.163 4.120 0.001 0.000 0.281 31 V C 0.424 176.515 176.094 -0.005 0.000 1.041 31 V CA -0.530 61.769 62.300 -0.003 0.000 1.016 31 V CB 0.775 32.597 31.823 -0.002 0.000 0.984 31 V HN 0.169 nan 8.190 nan 0.000 0.478 32 N N 4.834 123.531 118.700 -0.006 0.000 2.457 32 N HA 0.254 4.995 4.740 0.001 0.000 0.250 32 N C -0.122 175.384 175.510 -0.006 0.000 0.982 32 N CA -0.523 52.522 53.050 -0.008 0.000 0.941 32 N CB 1.422 39.901 38.487 -0.013 0.000 1.120 32 N HN 0.414 nan 8.380 nan 0.000 0.505 33 L N 1.864 123.085 121.223 -0.004 0.000 2.629 33 L HA 0.308 4.648 4.340 0.001 0.000 0.230 33 L C 0.340 177.210 176.870 0.001 0.000 1.151 33 L CA 0.224 55.065 54.840 0.001 0.000 0.924 33 L CB -1.098 40.962 42.059 0.003 0.000 1.137 33 L HN 0.427 nan 8.230 nan 0.000 0.457 34 S N -0.620 115.075 115.700 -0.009 0.000 2.568 34 S HA 0.312 4.782 4.470 0.001 0.000 0.282 34 S C 0.506 175.103 174.600 -0.005 0.000 1.338 34 S CA 0.220 58.410 58.200 -0.016 0.000 1.045 34 S CB 0.820 64.002 63.200 -0.030 0.000 0.873 34 S HN 0.340 nan 8.310 nan 0.000 0.516 35 T N 3.069 117.621 114.554 -0.003 0.000 2.942 35 T HA 0.460 4.810 4.350 0.001 0.000 0.327 35 T C -3.056 171.662 174.700 0.030 0.000 1.360 35 T CA -1.529 60.594 62.100 0.038 0.000 1.055 35 T CB 1.628 70.553 68.868 0.096 0.000 1.261 35 T HN 0.306 nan 8.240 nan 0.000 0.485 36 P HA 0.262 nan 4.420 nan 0.000 0.275 36 P C 0.145 177.538 177.300 0.155 0.000 1.227 36 P CA -0.428 62.752 63.100 0.134 0.000 0.781 36 P CB 1.393 33.280 31.700 0.311 0.000 0.906 37 L N 4.239 125.483 121.223 0.035 0.000 2.425 37 L HA 0.127 4.467 4.340 0.001 0.000 0.215 37 L C 0.541 177.511 176.870 0.165 0.000 1.065 37 L CA 0.976 55.733 54.840 -0.138 0.000 0.842 37 L CB 0.265 42.143 42.059 -0.301 0.000 1.033 37 L HN 0.299 nan 8.230 nan 0.000 0.474 38 V N -2.237 117.838 119.914 0.269 0.000 2.914 38 V HA 0.435 4.555 4.120 0.001 0.000 0.314 38 V C -0.369 175.973 176.094 0.413 0.000 1.084 38 V CA -1.201 61.315 62.300 0.361 0.000 0.963 38 V CB 1.301 33.294 31.823 0.283 0.000 1.025 38 V HN 0.347 nan 8.190 nan 0.000 0.432 39 K N 2.314 122.910 120.400 0.326 0.000 2.469 39 K HA 0.401 4.721 4.320 0.001 0.000 0.274 39 K C -0.726 176.075 176.600 0.334 0.000 0.983 39 K CA 0.163 56.597 56.287 0.244 0.000 0.974 39 K CB 0.233 32.814 32.500 0.136 0.000 0.913 39 K HN 0.965 nan 8.250 nan 0.000 0.493 40 F N -2.350 117.739 119.950 0.231 0.000 2.711 40 F HA 0.344 4.871 4.527 0.001 0.000 0.313 40 F C -0.982 174.956 175.800 0.231 0.000 1.141 40 F CA -1.544 56.569 58.000 0.188 0.000 0.941 40 F CB 1.084 40.171 39.000 0.146 0.000 1.349 40 F HN 0.286 nan 8.300 nan 0.000 0.464 41 Q N 1.906 121.938 119.800 0.387 0.000 2.259 41 Q HA 0.190 4.530 4.340 0.001 0.000 0.246 41 Q C -0.480 175.763 176.000 0.406 0.000 0.920 41 Q CA -0.632 55.346 55.803 0.292 0.000 0.895 41 Q CB 1.802 30.662 28.738 0.205 0.000 1.220 41 Q HN 0.799 nan 8.270 nan 0.000 0.439 42 K N 0.025 120.638 120.400 0.356 0.000 2.550 42 K HA -0.029 4.292 4.320 0.001 0.000 0.280 42 K C 0.750 177.524 176.600 0.290 0.000 0.987 42 K CA 1.293 57.826 56.287 0.409 0.000 1.048 42 K CB -0.068 32.545 32.500 0.189 0.000 0.879 42 K HN 0.827 nan 8.250 nan 0.000 0.491 43 G N 2.218 111.192 108.800 0.289 0.000 2.253 43 G HA2 -0.286 3.674 3.960 0.001 0.000 0.251 43 G HA3 -0.286 3.674 3.960 0.001 0.000 0.251 43 G C 0.028 175.011 174.900 0.139 0.000 0.998 43 G CA 0.505 45.708 45.100 0.172 0.000 0.621 43 G HN 0.656 nan 8.290 nan 0.000 0.524 44 Q N -0.463 119.462 119.800 0.207 0.000 2.427 44 Q HA 0.692 5.032 4.340 0.001 0.000 0.232 44 Q C -0.106 175.805 176.000 -0.149 0.000 1.018 44 Q CA -0.705 55.153 55.803 0.092 0.000 0.965 44 Q CB 0.999 29.829 28.738 0.153 0.000 1.232 44 Q HN 0.400 nan 8.270 nan 0.000 0.510 45 Q N 0.174 119.812 119.800 -0.271 0.000 2.301 45 Q HA 0.354 4.694 4.340 0.001 0.000 0.267 45 Q C -0.898 174.771 176.000 -0.552 0.000 1.035 45 Q CA -0.400 55.070 55.803 -0.554 0.000 0.856 45 Q CB 2.301 30.865 28.738 -0.290 0.000 1.337 45 Q HN 0.508 nan 8.270 nan 0.000 0.450 46 S N 0.594 115.859 115.700 -0.725 0.000 2.579 46 S HA -0.014 4.456 4.470 0.001 0.000 0.275 46 S C 0.682 175.240 174.600 -0.070 0.000 1.345 46 S CA 0.073 58.152 58.200 -0.201 0.000 1.031 46 S CB 0.550 63.737 63.200 -0.022 0.000 0.892 46 S HN 0.617 nan 8.310 nan 0.000 0.529 47 E N 1.944 122.166 120.200 0.037 0.000 2.347 47 E HA 0.098 4.449 4.350 0.001 0.000 0.196 47 E C -0.261 176.341 176.600 0.003 0.000 1.008 47 E CA 0.717 57.130 56.400 0.023 0.000 0.852 47 E CB 0.063 29.796 29.700 0.056 0.000 0.783 47 E HN 0.556 nan 8.360 nan 0.000 0.505 48 I N 1.638 122.212 120.570 0.007 0.000 2.468 48 I HA 0.236 4.407 4.170 0.001 0.000 0.285 48 I C -0.830 175.259 176.117 -0.047 0.000 1.039 48 I CA -0.655 60.631 61.300 -0.022 0.000 1.074 48 I CB 1.562 39.551 38.000 -0.018 0.000 1.228 48 I HN -0.110 nan 8.210 nan 0.000 0.436 49 N N 7.300 125.960 118.700 -0.067 0.000 2.314 49 N HA 0.571 5.311 4.740 0.001 0.000 0.294 49 N C -0.856 174.604 175.510 -0.083 0.000 1.029 49 N CA -0.583 52.421 53.050 -0.076 0.000 0.845 49 N CB 2.897 41.337 38.487 -0.079 0.000 1.321 49 N HN 0.369 nan 8.380 nan 0.000 0.481 50 L N 1.570 122.733 121.223 -0.099 0.000 2.439 50 L HA 0.344 4.685 4.340 0.001 0.000 0.259 50 L C 1.677 178.514 176.870 -0.055 0.000 1.129 50 L CA -0.422 54.362 54.840 -0.095 0.000 0.803 50 L CB 1.013 42.993 42.059 -0.131 0.000 1.161 50 L HN 0.390 nan 8.230 nan 0.000 0.462 51 K N 1.286 121.662 120.400 -0.040 0.000 2.314 51 K HA 0.219 4.539 4.320 0.001 0.000 0.198 51 K C 0.056 176.649 176.600 -0.012 0.000 1.045 51 K CA 0.602 56.875 56.287 -0.023 0.000 0.988 51 K CB 0.292 32.782 32.500 -0.016 0.000 0.783 51 K HN 0.516 nan 8.250 nan 0.000 0.484 52 I N -2.416 118.149 120.570 -0.008 0.000 2.769 52 I HA 0.334 4.504 4.170 0.001 0.000 0.298 52 I C -2.663 173.466 176.117 0.021 0.000 1.128 52 I CA -2.691 58.616 61.300 0.011 0.000 1.031 52 I CB 2.541 40.556 38.000 0.026 0.000 1.235 52 I HN -0.245 nan 8.210 nan 0.000 0.423 53 P HA 0.236 nan 4.420 nan 0.000 0.243 53 P C -0.712 176.666 177.300 0.131 0.000 1.668 53 P CA 0.183 63.340 63.100 0.094 0.000 0.898 53 P CB -0.099 31.659 31.700 0.097 0.000 1.637 54 L N 0.675 121.971 121.223 0.121 0.000 2.341 54 L HA 0.586 4.926 4.340 0.001 0.000 0.278 54 L C 0.289 177.295 176.870 0.226 0.000 1.005 54 L CA -1.185 53.776 54.840 0.203 0.000 0.818 54 L CB 2.416 44.628 42.059 0.255 0.000 1.259 54 L HN -0.188 nan 8.230 nan 0.000 0.418 55 V N -0.184 119.907 119.914 0.294 0.000 2.789 55 V HA 0.714 4.835 4.120 0.001 0.000 0.311 55 V C 0.004 176.255 176.094 0.262 0.000 1.073 55 V CA -0.602 61.834 62.300 0.227 0.000 0.921 55 V CB 1.858 33.877 31.823 0.326 0.000 1.009 55 V HN 0.808 nan 8.190 nan 0.000 0.426 56 S N 3.607 119.313 115.700 0.009 0.000 2.562 56 S HA 0.815 5.286 4.470 0.001 0.000 0.275 56 S C 0.492 175.194 174.600 0.170 0.000 1.281 56 S CA -0.067 58.113 58.200 -0.033 0.000 1.045 56 S CB 1.263 64.183 63.200 -0.468 0.000 0.962 56 S HN 2.171 nan 8.310 nan 0.000 0.503 57 A N 2.557 125.492 122.820 0.192 0.000 2.507 57 A HA 0.324 4.645 4.320 0.001 0.000 0.235 57 A C 0.570 178.243 177.584 0.148 0.000 1.070 57 A CA -0.498 51.632 52.037 0.155 0.000 0.768 57 A CB -0.499 18.592 19.000 0.152 0.000 1.011 57 A HN 0.905 nan 8.150 nan 0.000 0.502 58 I N 2.109 122.754 120.570 0.124 0.000 2.270 58 I HA 0.112 4.282 4.170 0.001 0.000 0.294 58 I C -0.152 176.041 176.117 0.126 0.000 1.164 58 I CA 0.684 62.079 61.300 0.159 0.000 1.680 58 I CB -1.077 36.985 38.000 0.103 0.000 1.494 58 I HN 0.509 nan 8.210 nan 0.000 0.767 59 M N 2.218 121.878 119.600 0.099 0.000 2.501 59 M HA 0.302 4.783 4.480 0.001 0.000 0.293 59 M C 0.646 176.738 176.300 -0.347 0.000 1.192 59 M CA -0.576 54.679 55.300 -0.075 0.000 0.886 59 M CB 2.657 35.199 32.600 -0.098 0.000 1.710 59 M HN 0.232 nan 8.290 nan 0.000 0.457 60 Q N 0.326 119.702 119.800 -0.706 0.000 2.135 60 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 60 Q C 1.508 176.982 176.000 -0.878 0.000 0.981 60 Q CA 1.943 56.938 55.803 -1.347 0.000 0.856 60 Q CB -0.196 28.141 28.738 -0.668 0.000 0.902 60 Q HN 0.857 nan 8.270 nan 0.000 0.425 61 S N -1.115 114.029 115.700 -0.926 0.000 2.671 61 S HA 0.141 4.611 4.470 0.001 0.000 0.220 61 S C 1.264 175.660 174.600 -0.339 0.000 0.951 61 S CA -0.073 57.599 58.200 -0.880 0.000 0.932 61 S CB 0.515 62.832 63.200 -1.472 0.000 0.777 61 S HN 0.095 nan 8.310 nan 0.000 0.508 62 V N -0.275 119.507 119.914 -0.220 0.000 3.442 62 V HA 0.258 4.378 4.120 0.001 0.000 0.205 62 V C 0.639 176.730 176.094 -0.006 0.000 1.320 62 V CA 0.158 62.421 62.300 -0.062 0.000 1.306 62 V CB -0.278 31.556 31.823 0.018 0.000 1.267 62 V HN 0.355 nan 8.190 nan 0.000 0.538 63 S N 1.950 117.687 115.700 0.061 0.000 3.729 63 S HA 0.587 5.058 4.470 0.001 0.000 0.235 63 S C 0.343 175.085 174.600 0.236 0.000 1.367 63 S CA 0.148 58.418 58.200 0.117 0.000 0.907 63 S CB 0.128 63.414 63.200 0.144 0.000 1.471 63 S HN 0.613 nan 8.310 nan 0.000 0.476 64 G N 1.167 110.060 108.800 0.156 0.000 2.642 64 G HA2 0.378 4.338 3.960 0.001 0.000 0.291 64 G HA3 0.378 4.338 3.960 0.001 0.000 0.291 64 G C 0.484 175.413 174.900 0.049 0.000 1.345 64 G CA -0.637 44.573 45.100 0.183 0.000 1.043 64 G HN 0.484 nan 8.290 nan 0.000 0.528 65 E N -0.251 119.966 120.200 0.028 0.000 2.051 65 E HA -0.140 4.211 4.350 0.001 0.000 0.192 65 E C 2.325 178.867 176.600 -0.096 0.000 0.991 65 E CA 1.112 57.491 56.400 -0.035 0.000 0.799 65 E CB -0.025 29.667 29.700 -0.013 0.000 0.748 65 E HN 0.404 nan 8.360 nan 0.000 0.449 66 K N 0.211 120.571 120.400 -0.067 0.000 2.057 66 K HA -0.163 4.157 4.320 0.001 0.000 0.207 66 K C 2.166 178.693 176.600 -0.120 0.000 1.049 66 K CA 1.352 57.578 56.287 -0.103 0.000 0.931 66 K CB -0.167 32.311 32.500 -0.036 0.000 0.714 66 K HN 0.057 nan 8.250 nan 0.000 0.440 67 M N 1.242 120.795 119.600 -0.079 0.000 2.086 67 M HA -0.087 4.394 4.480 0.001 0.000 0.261 67 M C 2.066 178.258 176.300 -0.181 0.000 1.067 67 M CA 1.702 56.941 55.300 -0.102 0.000 1.116 67 M CB -0.413 32.141 32.600 -0.077 0.000 1.348 67 M HN 0.113 nan 8.290 nan 0.000 0.407 68 A N 0.174 122.891 122.820 -0.171 0.000 1.908 68 A HA -0.152 4.169 4.320 0.001 0.000 0.218 68 A C 2.226 179.636 177.584 -0.289 0.000 1.181 68 A CA 2.151 54.064 52.037 -0.207 0.000 0.627 68 A CB -1.179 17.728 19.000 -0.156 0.000 0.818 68 A HN 0.624 nan 8.150 nan 0.000 0.445 69 I N -0.503 119.862 120.570 -0.342 0.000 2.202 69 I HA -0.244 3.927 4.170 0.001 0.000 0.242 69 I C 2.999 178.783 176.117 -0.555 0.000 1.091 69 I CA 1.023 61.995 61.300 -0.548 0.000 1.368 69 I CB -0.385 37.227 38.000 -0.647 0.000 1.058 69 I HN 0.355 nan 8.210 nan 0.000 0.410 70 A N 0.622 123.229 122.820 -0.354 0.000 1.902 70 A HA -0.218 4.103 4.320 0.001 0.000 0.217 70 A C 2.234 179.681 177.584 -0.228 0.000 1.181 70 A CA 1.595 53.479 52.037 -0.256 0.000 0.623 70 A CB -0.769 18.140 19.000 -0.152 0.000 0.818 70 A HN 0.381 nan 8.150 nan 0.000 0.443 71 L N -0.462 120.626 121.223 -0.226 0.000 2.109 71 L HA 0.079 4.419 4.340 0.001 0.000 0.207 71 L C 2.639 179.390 176.870 -0.198 0.000 1.086 71 L CA 1.947 56.679 54.840 -0.180 0.000 0.760 71 L CB -0.872 41.030 42.059 -0.262 0.000 0.910 71 L HN 0.330 nan 8.230 nan 0.000 0.437 72 A N -0.325 122.320 122.820 -0.292 0.000 1.902 72 A HA -0.224 4.096 4.320 0.001 0.000 0.217 72 A C 2.407 179.832 177.584 -0.265 0.000 1.181 72 A CA 1.736 53.608 52.037 -0.276 0.000 0.623 72 A CB -0.541 18.252 19.000 -0.345 0.000 0.818 72 A HN 0.489 nan 8.150 nan 0.000 0.443 73 R N -0.423 119.822 120.500 -0.425 0.000 2.120 73 R HA -0.092 4.248 4.340 0.001 0.000 0.234 73 R C 1.249 177.498 176.300 -0.085 0.000 1.123 73 R CA 1.292 57.249 56.100 -0.239 0.000 0.975 73 R CB -0.132 30.014 30.300 -0.256 0.000 0.866 73 R HN 0.437 nan 8.270 nan 0.000 0.446 74 E N -0.892 119.253 120.200 -0.092 0.000 2.489 74 E HA 0.063 4.413 4.350 0.001 0.000 0.193 74 E C 1.072 177.661 176.600 -0.019 0.000 1.057 74 E CA 0.682 57.059 56.400 -0.037 0.000 0.866 74 E CB 0.899 30.589 29.700 -0.018 0.000 0.916 74 E HN 0.552 nan 8.360 nan 0.000 0.500 75 G N 0.222 109.002 108.800 -0.033 0.000 2.184 75 G HA2 -0.187 3.773 3.960 0.001 0.000 0.206 75 G HA3 -0.187 3.773 3.960 0.001 0.000 0.206 75 G C 0.663 175.539 174.900 -0.041 0.000 0.995 75 G CA -0.059 45.026 45.100 -0.025 0.000 0.651 75 G HN 0.551 nan 8.290 nan 0.000 0.511 76 G N -0.808 107.963 108.800 -0.049 0.000 2.736 76 G HA2 0.792 4.752 3.960 0.001 0.000 0.229 76 G HA3 0.792 4.752 3.960 0.001 0.000 0.229 76 G C -0.499 174.325 174.900 -0.126 0.000 1.380 76 G CA -0.256 44.807 45.100 -0.062 0.000 1.040 76 G HN 1.126 nan 8.290 nan 0.000 0.568 77 I N -1.213 119.266 120.570 -0.151 0.000 2.787 77 I HA 0.466 4.637 4.170 0.001 0.000 0.294 77 I C -0.992 174.987 176.117 -0.229 0.000 1.365 77 I CA -0.547 60.614 61.300 -0.231 0.000 1.029 77 I CB 2.173 39.984 38.000 -0.314 0.000 1.313 77 I HN 0.453 nan 8.210 nan 0.000 0.431 78 S N 5.371 120.906 115.700 -0.274 0.000 2.549 78 S HA 0.620 5.091 4.470 0.001 0.000 0.297 78 S C -1.017 173.435 174.600 -0.246 0.000 1.115 78 S CA -0.313 57.778 58.200 -0.182 0.000 1.059 78 S CB 1.268 64.363 63.200 -0.175 0.000 1.046 78 S HN 0.359 nan 8.310 nan 0.000 0.506 79 F N 2.490 122.428 119.950 -0.019 0.000 2.311 79 F HA 0.388 4.915 4.527 0.001 0.000 0.371 79 F C 0.250 176.072 175.800 0.036 0.000 1.083 79 F CA -0.925 57.089 58.000 0.024 0.000 1.113 79 F CB 0.388 39.431 39.000 0.073 0.000 1.349 79 F HN 0.330 nan 8.300 nan 0.000 0.470 80 I N 4.515 125.137 120.570 0.086 0.000 2.906 80 I HA -0.199 3.971 4.170 0.001 0.000 0.301 80 I C 0.590 176.749 176.117 0.070 0.000 1.221 80 I CA 0.123 61.444 61.300 0.036 0.000 1.435 80 I CB -0.906 37.040 38.000 -0.090 0.000 1.345 80 I HN 0.384 nan 8.210 nan 0.000 0.558 81 F N 4.000 123.982 119.950 0.052 0.000 2.602 81 F HA 0.420 4.947 4.527 0.001 0.000 0.367 81 F C 1.261 177.081 175.800 0.034 0.000 1.126 81 F CA -0.515 57.511 58.000 0.043 0.000 1.321 81 F CB 0.085 39.101 39.000 0.027 0.000 1.094 81 F HN 0.514 nan 8.300 nan 0.000 0.594 82 G N 0.782 109.664 108.800 0.138 0.000 3.126 82 G HA2 0.027 3.987 3.960 0.001 0.000 0.224 82 G HA3 0.027 3.987 3.960 0.001 0.000 0.224 82 G C 0.342 175.283 174.900 0.069 0.000 1.142 82 G CA 0.222 45.337 45.100 0.025 0.000 0.759 82 G HN 0.803 nan 8.290 nan 0.000 0.550 83 S N 0.626 116.470 115.700 0.241 0.000 4.069 83 S HA 0.440 4.911 4.470 0.001 0.000 0.192 83 S C 0.134 174.909 174.600 0.291 0.000 1.441 83 S CA -0.561 57.759 58.200 0.200 0.000 0.994 83 S CB -0.508 62.803 63.200 0.186 0.000 1.456 83 S HN 0.702 nan 8.310 nan 0.000 0.458 84 Q N -0.765 119.127 119.800 0.153 0.000 2.738 84 Q HA 0.494 4.834 4.340 0.001 0.000 0.301 84 Q C -0.936 175.082 176.000 0.029 0.000 0.901 84 Q CA -1.149 54.729 55.803 0.125 0.000 0.756 84 Q CB 0.343 29.145 28.738 0.106 0.000 1.463 84 Q HN 0.327 nan 8.270 nan 0.000 0.432 85 S N -0.075 115.642 115.700 0.027 0.000 2.573 85 S HA 0.157 4.628 4.470 0.001 0.000 0.277 85 S C 1.167 175.753 174.600 -0.023 0.000 1.346 85 S CA -0.372 57.833 58.200 0.007 0.000 1.034 85 S CB 0.095 63.304 63.200 0.015 0.000 0.879 85 S HN 0.614 nan 8.310 nan 0.000 0.528 86 I N 1.258 121.816 120.570 -0.021 0.000 2.208 86 I HA -0.196 3.974 4.170 0.001 0.000 0.245 86 I C 2.513 178.614 176.117 -0.028 0.000 1.097 86 I CA 1.685 62.969 61.300 -0.027 0.000 1.363 86 I CB -0.570 37.419 38.000 -0.019 0.000 1.051 86 I HN 0.666 nan 8.210 nan 0.000 0.413 87 E N 0.911 121.099 120.200 -0.019 0.000 2.058 87 E HA -0.205 4.146 4.350 0.001 0.000 0.194 87 E C 2.339 178.924 176.600 -0.025 0.000 0.997 87 E CA 1.903 58.293 56.400 -0.018 0.000 0.801 87 E CB -0.403 29.292 29.700 -0.009 0.000 0.746 87 E HN 0.555 nan 8.360 nan 0.000 0.450 88 S N 0.214 115.898 115.700 -0.027 0.000 2.383 88 S HA -0.238 4.233 4.470 0.001 0.000 0.227 88 S C 2.113 176.662 174.600 -0.086 0.000 1.026 88 S CA 1.257 59.435 58.200 -0.037 0.000 0.981 88 S CB -0.257 62.932 63.200 -0.019 0.000 0.818 88 S HN 0.292 nan 8.310 nan 0.000 0.472 89 Q N 1.415 121.142 119.800 -0.121 0.000 2.079 89 Q HA -0.000 4.340 4.340 0.001 0.000 0.200 89 Q C 2.301 178.244 176.000 -0.094 0.000 0.974 89 Q CA 1.268 56.965 55.803 -0.177 0.000 0.840 89 Q CB -0.577 28.054 28.738 -0.179 0.000 0.898 89 Q HN 0.687 nan 8.270 nan 0.000 0.430 90 A N 0.855 123.645 122.820 -0.049 0.000 1.933 90 A HA -0.133 4.187 4.320 0.001 0.000 0.218 90 A C 2.279 179.874 177.584 0.018 0.000 1.175 90 A CA 1.691 53.721 52.037 -0.012 0.000 0.628 90 A CB -0.950 18.044 19.000 -0.009 0.000 0.814 90 A HN 0.565 nan 8.150 nan 0.000 0.444 91 A N -0.612 122.209 122.820 0.002 0.000 1.902 91 A HA -0.123 4.197 4.320 0.001 0.000 0.217 91 A C 2.267 179.887 177.584 0.061 0.000 1.181 91 A CA 1.796 53.855 52.037 0.036 0.000 0.623 91 A CB -0.520 18.488 19.000 0.014 0.000 0.818 91 A HN 0.537 nan 8.150 nan 0.000 0.443 92 M N -0.832 118.769 119.600 0.002 0.000 2.086 92 M HA -0.132 4.348 4.480 0.001 0.000 0.261 92 M C 2.160 178.463 176.300 0.005 0.000 1.067 92 M CA 1.430 56.724 55.300 -0.010 0.000 1.116 92 M CB -0.491 32.060 32.600 -0.083 0.000 1.348 92 M HN 0.268 nan 8.290 nan 0.000 0.407 93 V N -0.474 119.440 119.914 -0.001 0.000 2.287 93 V HA -0.315 3.805 4.120 0.001 0.000 0.248 93 V C 2.244 178.364 176.094 0.045 0.000 1.053 93 V CA 2.400 64.703 62.300 0.004 0.000 1.027 93 V CB -1.011 30.813 31.823 0.001 0.000 0.646 93 V HN 0.486 nan 8.190 nan 0.000 0.447 94 H N 0.498 119.567 119.070 -0.003 0.000 2.353 94 H HA -0.118 4.438 4.556 0.001 0.000 0.300 94 H C 2.149 177.501 175.328 0.039 0.000 1.090 94 H CA 1.900 57.957 56.048 0.015 0.000 1.327 94 H CB -0.232 29.538 29.762 0.013 0.000 1.383 94 H HN 0.370 nan 8.280 nan 0.000 0.508 95 A N -0.232 122.642 122.820 0.091 0.000 1.933 95 A HA -0.117 4.203 4.320 0.001 0.000 0.218 95 A C 2.637 180.270 177.584 0.081 0.000 1.175 95 A CA 1.684 53.771 52.037 0.082 0.000 0.628 95 A CB -0.814 18.252 19.000 0.111 0.000 0.814 95 A HN 0.334 nan 8.150 nan 0.000 0.444 96 V N 0.249 120.186 119.914 0.039 0.000 2.379 96 V HA -0.181 3.940 4.120 0.001 0.000 0.245 96 V C 2.421 178.566 176.094 0.085 0.000 1.044 96 V CA 1.953 64.281 62.300 0.047 0.000 1.036 96 V CB -0.538 31.274 31.823 -0.017 0.000 0.664 96 V HN 0.384 nan 8.190 nan 0.000 0.453 97 K N 0.757 121.154 120.400 -0.006 0.000 2.211 97 K HA -0.076 4.244 4.320 0.001 0.000 0.203 97 K C 1.174 177.728 176.600 -0.077 0.000 1.050 97 K CA 1.162 57.424 56.287 -0.042 0.000 0.945 97 K CB -0.486 31.963 32.500 -0.085 0.000 0.732 97 K HN 0.507 nan 8.250 nan 0.000 0.451 98 N N -0.287 118.338 118.700 -0.125 0.000 2.273 98 N HA 0.071 4.812 4.740 0.001 0.000 0.231 98 N C -0.073 175.429 175.510 -0.013 0.000 1.134 98 N CA -0.276 52.696 53.050 -0.130 0.000 0.856 98 N CB 0.072 38.390 38.487 -0.282 0.000 1.068 98 N HN -0.015 nan 8.380 nan 0.000 0.510 232 Y N 2.336 122.627 120.300 -0.015 0.000 2.411 232 Y HA 0.181 4.731 4.550 0.001 0.000 0.333 232 Y C 1.115 176.973 175.900 -0.071 0.000 1.186 232 Y CA -0.693 57.382 58.100 -0.042 0.000 1.381 232 Y CB 0.725 39.158 38.460 -0.044 0.000 1.273 232 Y HN 0.270 nan 8.280 nan 0.000 0.546 233 L N 3.186 124.462 121.223 0.088 0.000 2.395 233 L HA 0.477 4.817 4.340 0.001 0.000 0.269 233 L C -0.208 176.609 176.870 -0.089 0.000 1.133 233 L CA -0.197 54.625 54.840 -0.031 0.000 0.812 233 L CB 1.092 43.106 42.059 -0.074 0.000 1.125 233 L HN 0.455 nan 8.230 nan 0.000 0.452 234 V N 1.185 121.014 119.914 -0.140 0.000 3.000 234 V HA 0.847 4.967 4.120 0.001 0.000 0.300 234 V C -0.250 175.678 176.094 -0.277 0.000 1.251 234 V CA -0.132 62.046 62.300 -0.204 0.000 0.972 234 V CB 2.040 33.788 31.823 -0.125 0.000 1.065 234 V HN 0.809 nan 8.190 nan 0.000 0.431 235 G N 3.273 111.793 108.800 -0.466 0.000 2.667 235 G HA2 0.970 4.930 3.960 0.001 0.000 0.310 235 G HA3 0.970 4.930 3.960 0.001 0.000 0.310 235 G C -0.750 174.027 174.900 -0.204 0.000 1.259 235 G CA -0.288 44.485 45.100 -0.545 0.000 1.019 235 G HN 1.686 nan 8.290 nan 0.000 0.496 236 A N -1.061 121.793 122.820 0.057 0.000 2.517 236 A HA 0.783 5.103 4.320 0.001 0.000 0.297 236 A C -0.006 177.722 177.584 0.239 0.000 1.050 236 A CA 0.028 52.141 52.037 0.126 0.000 0.694 236 A CB 1.400 20.419 19.000 0.031 0.000 1.277 236 A HN 1.614 nan 8.150 nan 0.000 0.400 237 G N 0.742 109.659 108.800 0.196 0.000 2.420 237 G HA2 0.623 4.584 3.960 0.001 0.000 0.284 237 G HA3 0.623 4.584 3.960 0.001 0.000 0.284 237 G C -0.006 174.930 174.900 0.061 0.000 1.177 237 G CA -0.082 45.100 45.100 0.137 0.000 0.841 237 G HN 1.470 nan 8.290 nan 0.000 0.527 238 I N -1.203 119.386 120.570 0.031 0.000 3.145 238 I HA 0.746 4.916 4.170 0.001 0.000 0.313 238 I C -0.874 175.229 176.117 -0.024 0.000 1.122 238 I CA -1.560 59.747 61.300 0.012 0.000 0.987 238 I CB 2.781 40.805 38.000 0.040 0.000 1.236 238 I HN 0.573 nan 8.210 nan 0.000 0.453 239 N N -1.016 117.667 118.700 -0.027 0.000 2.545 239 N HA 0.421 5.161 4.740 0.001 0.000 0.289 239 N C 0.221 175.747 175.510 0.027 0.000 1.279 239 N CA -0.208 52.801 53.050 -0.068 0.000 0.824 239 N CB 1.303 39.684 38.487 -0.176 0.000 1.395 239 N HN 0.713 nan 8.380 nan 0.000 0.526 240 T N -3.222 111.334 114.554 0.003 0.000 3.252 240 T HA 0.221 4.572 4.350 0.001 0.000 0.250 240 T C 0.762 175.608 174.700 0.244 0.000 1.123 240 T CA 0.175 62.353 62.100 0.129 0.000 1.006 240 T CB -0.270 68.641 68.868 0.071 0.000 0.992 240 T HN 0.376 nan 8.240 nan 0.000 0.547 241 R N 1.654 122.202 120.500 0.079 0.000 2.125 241 R HA 0.137 4.477 4.340 0.001 0.000 0.195 241 R C 0.996 177.164 176.300 -0.221 0.000 1.138 241 R CA 1.238 57.306 56.100 -0.053 0.000 1.123 241 R CB -0.402 29.841 30.300 -0.094 0.000 1.049 241 R HN 0.577 nan 8.270 nan 0.000 0.503 242 D N 1.141 121.430 120.400 -0.186 0.000 2.395 242 D HA -0.027 4.613 4.640 0.001 0.000 0.226 242 D C 1.316 177.432 176.300 -0.306 0.000 1.146 242 D CA -0.361 53.477 54.000 -0.272 0.000 0.830 242 D CB -0.576 40.136 40.800 -0.146 0.000 0.958 242 D HN 0.203 nan 8.370 nan 0.000 0.501 243 F N 0.506 120.324 119.950 -0.221 0.000 2.202 243 F HA 0.016 4.543 4.527 0.001 0.000 0.301 243 F C 1.900 177.425 175.800 -0.458 0.000 1.082 243 F CA 0.449 58.294 58.000 -0.258 0.000 1.313 243 F CB -0.592 38.275 39.000 -0.221 0.000 1.024 243 F HN -0.138 nan 8.300 nan 0.000 0.495 244 R N 0.416 120.263 120.500 -1.088 0.000 2.152 244 R HA -0.109 4.231 4.340 0.001 0.000 0.232 244 R C 1.574 177.696 176.300 -0.297 0.000 1.117 244 R CA 1.691 57.187 56.100 -1.007 0.000 0.981 244 R CB -0.338 29.417 30.300 -0.909 0.000 0.870 244 R HN 0.382 nan 8.270 nan 0.000 0.451 245 E N -0.588 119.477 120.200 -0.225 0.000 2.206 245 E HA 0.054 4.404 4.350 0.001 0.000 0.195 245 E C 1.756 178.353 176.600 -0.006 0.000 0.935 245 E CA 0.295 56.656 56.400 -0.066 0.000 0.875 245 E CB 0.062 29.712 29.700 -0.083 0.000 0.841 245 E HN 0.086 nan 8.360 nan 0.000 0.477 246 R N 0.602 121.085 120.500 -0.028 0.000 2.075 246 R HA -0.074 4.266 4.340 0.001 0.000 0.232 246 R C 1.911 178.250 176.300 0.066 0.000 1.126 246 R CA 1.122 57.230 56.100 0.013 0.000 0.963 246 R CB -0.207 30.092 30.300 -0.001 0.000 0.858 246 R HN 0.042 nan 8.270 nan 0.000 0.435 247 V N 1.521 121.510 119.914 0.126 0.000 2.255 247 V HA -0.171 3.949 4.120 0.001 0.000 0.247 247 V C -0.898 175.300 176.094 0.173 0.000 1.051 247 V CA 1.973 64.381 62.300 0.180 0.000 1.018 247 V CB -1.111 30.939 31.823 0.378 0.000 0.641 247 V HN 0.337 nan 8.190 nan 0.000 0.445 248 P HA -0.161 nan 4.420 nan 0.000 0.215 248 P C 1.684 179.071 177.300 0.146 0.000 1.153 248 P CA 2.049 65.317 63.100 0.279 0.000 0.853 248 P CB -0.166 31.719 31.700 0.309 0.000 0.788 249 A N -0.748 122.133 122.820 0.102 0.000 1.902 249 A HA -0.159 4.162 4.320 0.001 0.000 0.217 249 A C 2.200 179.810 177.584 0.043 0.000 1.181 249 A CA 1.440 53.511 52.037 0.057 0.000 0.623 249 A CB -1.606 17.414 19.000 0.033 0.000 0.818 249 A HN 0.116 nan 8.150 nan 0.000 0.443 250 L N -0.707 120.538 121.223 0.037 0.000 2.109 250 L HA -0.113 4.227 4.340 0.001 0.000 0.207 250 L C 2.497 179.375 176.870 0.012 0.000 1.086 250 L CA 0.789 55.641 54.840 0.020 0.000 0.760 250 L CB -0.529 41.538 42.059 0.013 0.000 0.910 250 L HN 0.233 nan 8.230 nan 0.000 0.437 251 V N -0.439 119.474 119.914 -0.002 0.000 2.343 251 V HA -0.242 3.879 4.120 0.001 0.000 0.247 251 V C 2.595 178.707 176.094 0.030 0.000 1.051 251 V CA 1.593 63.877 62.300 -0.028 0.000 1.036 251 V CB -0.440 31.320 31.823 -0.105 0.000 0.654 251 V HN 0.417 nan 8.190 nan 0.000 0.451 252 E N 0.383 120.618 120.200 0.058 0.000 2.118 252 E HA -0.201 4.149 4.350 0.001 0.000 0.195 252 E C 2.253 178.900 176.600 0.078 0.000 0.992 252 E CA 1.551 57.992 56.400 0.068 0.000 0.804 252 E CB -0.252 29.486 29.700 0.064 0.000 0.741 252 E HN 0.551 nan 8.360 nan 0.000 0.458 253 A N -0.473 122.394 122.820 0.077 0.000 2.121 253 A HA 0.081 4.401 4.320 0.001 0.000 0.218 253 A C 1.665 179.329 177.584 0.132 0.000 1.154 253 A CA 1.546 53.665 52.037 0.137 0.000 0.679 253 A CB -0.226 18.831 19.000 0.096 0.000 0.795 253 A HN 0.363 nan 8.150 nan 0.000 0.458 254 G N -2.469 106.370 108.800 0.065 0.000 2.138 254 G HA2 0.189 4.149 3.960 0.001 0.000 0.193 254 G HA3 0.189 4.149 3.960 0.001 0.000 0.193 254 G C 0.309 175.208 174.900 -0.002 0.000 0.998 254 G CA 0.102 45.220 45.100 0.030 0.000 0.668 254 G HN 1.529 nan 8.290 nan 0.000 0.516 255 A N 0.219 123.034 122.820 -0.008 0.000 2.520 255 A HA 0.487 4.807 4.320 0.001 0.000 0.245 255 A C 1.202 178.763 177.584 -0.038 0.000 1.072 255 A CA 0.943 52.961 52.037 -0.032 0.000 0.761 255 A CB 0.249 19.234 19.000 -0.025 0.000 1.004 255 A HN 0.313 nan 8.150 nan 0.000 0.499 256 D N 0.396 120.761 120.400 -0.058 0.000 2.249 256 D HA 0.091 4.731 4.640 0.001 0.000 0.205 256 D C 0.283 176.570 176.300 -0.022 0.000 0.962 256 D CA 1.386 55.358 54.000 -0.046 0.000 0.860 256 D CB 0.541 41.301 40.800 -0.067 0.000 0.955 256 D HN 0.328 nan 8.370 nan 0.000 0.505 257 V N 0.550 120.452 119.914 -0.021 0.000 3.147 257 V HA 0.362 4.482 4.120 0.001 0.000 0.299 257 V C -1.782 174.400 176.094 0.147 0.000 1.302 257 V CA -0.766 61.584 62.300 0.084 0.000 1.015 257 V CB 2.405 34.325 31.823 0.162 0.000 1.086 257 V HN -0.136 nan 8.190 nan 0.000 0.437 258 L N 4.026 125.374 121.223 0.209 0.000 2.286 258 L HA 0.874 5.214 4.340 0.001 0.000 0.265 258 L C -0.764 176.269 176.870 0.272 0.000 1.012 258 L CA -0.687 54.284 54.840 0.217 0.000 0.818 258 L CB 2.027 44.138 42.059 0.087 0.000 1.337 258 L HN 0.781 nan 8.230 nan 0.000 0.438 259 C N 1.684 121.094 119.300 0.183 0.000 2.832 259 C HA 0.461 4.921 4.460 0.001 0.000 0.383 259 C C -0.345 174.611 174.990 -0.057 0.000 1.046 259 C CA -0.600 58.409 59.018 -0.014 0.000 1.242 259 C CB 0.362 28.052 27.740 -0.084 0.000 1.693 259 C HN 0.640 nan 8.230 nan 0.000 0.497 260 I N 4.273 124.771 120.570 -0.121 0.000 2.598 260 I HA 0.133 4.303 4.170 0.001 0.000 0.284 260 I C 0.183 176.237 176.117 -0.104 0.000 1.140 260 I CA 0.776 62.018 61.300 -0.098 0.000 1.420 260 I CB 0.493 38.428 38.000 -0.108 0.000 1.387 260 I HN 0.635 nan 8.210 nan 0.000 0.553 261 D N 5.877 126.222 120.400 -0.092 0.000 2.428 261 D HA 0.335 4.976 4.640 0.001 0.000 0.221 261 D C -1.080 175.128 176.300 -0.154 0.000 1.123 261 D CA -0.047 53.888 54.000 -0.108 0.000 0.869 261 D CB 0.682 41.435 40.800 -0.078 0.000 1.032 261 D HN 0.410 nan 8.370 nan 0.000 0.506 262 S N 1.643 117.248 115.700 -0.157 0.000 2.540 262 S HA 0.191 4.662 4.470 0.001 0.000 0.275 262 S C 0.726 175.209 174.600 -0.196 0.000 1.123 262 S CA -0.769 57.315 58.200 -0.194 0.000 0.907 262 S CB 1.717 64.851 63.200 -0.110 0.000 1.081 262 S HN 0.335 nan 8.310 nan 0.000 0.476 263 S N 1.114 116.632 115.700 -0.303 0.000 2.356 263 S HA -0.108 4.362 4.470 0.001 0.000 0.223 263 S C 0.448 175.014 174.600 -0.057 0.000 1.032 263 S CA 1.545 59.625 58.200 -0.200 0.000 1.005 263 S CB -0.142 62.915 63.200 -0.239 0.000 0.867 263 S HN 0.763 nan 8.310 nan 0.000 0.449 264 D N -0.134 120.250 120.400 -0.028 0.000 2.446 264 D HA 0.473 5.114 4.640 0.001 0.000 0.251 264 D C 0.494 176.832 176.300 0.063 0.000 1.137 264 D CA -0.192 53.834 54.000 0.043 0.000 0.890 264 D CB 0.790 41.635 40.800 0.073 0.000 1.071 264 D HN 0.224 nan 8.370 nan 0.000 0.528 265 G N 2.375 111.211 108.800 0.060 0.000 2.920 265 G HA2 -0.077 3.883 3.960 0.001 0.000 0.208 265 G HA3 -0.077 3.883 3.960 0.001 0.000 0.208 265 G C 0.392 175.394 174.900 0.171 0.000 1.159 265 G CA -0.271 44.874 45.100 0.075 0.000 0.784 265 G HN 0.429 nan 8.290 nan 0.000 0.535 266 F N 3.716 123.662 119.950 -0.007 0.000 2.652 266 F HA 0.447 4.975 4.527 0.001 0.000 0.352 266 F C 0.564 176.294 175.800 -0.118 0.000 1.259 266 F CA -1.531 56.430 58.000 -0.064 0.000 1.249 266 F CB -0.650 38.295 39.000 -0.092 0.000 1.628 266 F HN 0.089 nan 8.300 nan 0.000 0.654 267 S N 1.234 117.078 115.700 0.240 0.000 2.570 267 S HA 0.281 4.751 4.470 0.001 0.000 0.270 267 S C 0.632 175.341 174.600 0.183 0.000 1.149 267 S CA -0.807 57.453 58.200 0.098 0.000 0.837 267 S CB 1.538 64.858 63.200 0.200 0.000 1.124 267 S HN 0.438 nan 8.310 nan 0.000 0.465 268 E N 0.359 120.547 120.200 -0.020 0.000 2.204 268 E HA -0.094 4.257 4.350 0.001 0.000 0.194 268 E C 0.722 177.298 176.600 -0.041 0.000 0.989 268 E CA 1.262 57.652 56.400 -0.016 0.000 0.824 268 E CB -0.123 29.426 29.700 -0.251 0.000 0.756 268 E HN 0.822 nan 8.360 nan 0.000 0.477 269 W N 1.055 122.407 121.300 0.087 0.000 2.342 269 W HA -0.175 4.486 4.660 0.001 0.000 0.297 269 W C 2.516 179.039 176.519 0.007 0.000 1.213 269 W CA 0.678 58.056 57.345 0.056 0.000 1.251 269 W CB -0.076 29.416 29.460 0.052 0.000 1.136 269 W HN 0.137 nan 8.180 nan 0.000 0.526 270 Q N 0.521 120.463 119.800 0.237 0.000 2.123 270 Q HA -0.179 4.162 4.340 0.001 0.000 0.199 270 Q C 2.119 178.126 176.000 0.012 0.000 0.966 270 Q CA 1.182 57.038 55.803 0.088 0.000 0.845 270 Q CB -0.467 28.322 28.738 0.086 0.000 0.907 270 Q HN 0.382 nan 8.270 nan 0.000 0.439 271 K N 1.161 121.595 120.400 0.057 0.000 2.057 271 K HA -0.136 4.185 4.320 0.001 0.000 0.207 271 K C 2.003 178.577 176.600 -0.043 0.000 1.049 271 K CA 0.939 57.197 56.287 -0.048 0.000 0.931 271 K CB -0.054 32.413 32.500 -0.055 0.000 0.714 271 K HN 0.114 nan 8.250 nan 0.000 0.440 272 I N 0.689 121.260 120.570 0.002 0.000 2.226 272 I HA -0.255 3.916 4.170 0.001 0.000 0.245 272 I C 2.137 178.191 176.117 -0.104 0.000 1.100 272 I CA 1.389 62.702 61.300 0.022 0.000 1.374 272 I CB -0.405 37.667 38.000 0.120 0.000 1.057 272 I HN 0.248 nan 8.210 nan 0.000 0.413 273 T N 1.295 115.669 114.554 -0.299 0.000 2.708 273 T HA -0.133 4.217 4.350 0.001 0.000 0.266 273 T C 1.915 176.427 174.700 -0.313 0.000 1.037 273 T CA 1.469 63.128 62.100 -0.736 0.000 1.146 273 T CB -0.294 68.205 68.868 -0.615 0.000 0.865 273 T HN 0.239 nan 8.240 nan 0.000 0.435 274 I N 1.176 121.647 120.570 -0.164 0.000 2.226 274 I HA -0.095 4.076 4.170 0.001 0.000 0.245 274 I C 2.908 179.013 176.117 -0.019 0.000 1.100 274 I CA 1.242 62.492 61.300 -0.084 0.000 1.374 274 I CB -0.778 37.156 38.000 -0.111 0.000 1.057 274 I HN 0.313 nan 8.210 nan 0.000 0.413 275 G N 0.072 108.864 108.800 -0.014 0.000 2.422 275 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 275 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 275 G C 1.436 176.394 174.900 0.098 0.000 1.146 275 G CA 0.448 45.563 45.100 0.026 0.000 0.769 275 G HN 0.504 nan 8.290 nan 0.000 0.547 276 W N 1.169 122.452 121.300 -0.029 0.000 2.358 276 W HA 0.012 4.672 4.660 0.001 0.000 0.303 276 W C 2.369 178.951 176.519 0.106 0.000 1.208 276 W CA 1.270 58.659 57.345 0.073 0.000 1.274 276 W CB -0.152 29.422 29.460 0.190 0.000 1.138 276 W HN 0.164 nan 8.180 nan 0.000 0.515 277 I N 0.647 121.412 120.570 0.325 0.000 2.208 277 I HA -0.355 3.816 4.170 0.001 0.000 0.245 277 I C 2.608 178.787 176.117 0.103 0.000 1.097 277 I CA 1.253 62.710 61.300 0.262 0.000 1.363 277 I CB -0.638 37.497 38.000 0.225 0.000 1.051 277 I HN -0.070 nan 8.210 nan 0.000 0.413 278 R N 0.568 121.091 120.500 0.038 0.000 2.096 278 R HA -0.161 4.179 4.340 0.001 0.000 0.235 278 R C 2.053 178.315 176.300 -0.064 0.000 1.127 278 R CA 1.180 57.282 56.100 0.003 0.000 0.968 278 R CB -0.644 29.652 30.300 -0.008 0.000 0.861 278 R HN 0.495 nan 8.270 nan 0.000 0.440 279 E N 0.513 120.638 120.200 -0.124 0.000 2.051 279 E HA -0.163 4.187 4.350 0.001 0.000 0.192 279 E C 1.543 177.956 176.600 -0.312 0.000 0.991 279 E CA 1.152 57.435 56.400 -0.195 0.000 0.799 279 E CB 0.267 29.844 29.700 -0.206 0.000 0.748 279 E HN 0.070 nan 8.360 nan 0.000 0.449 280 K N -0.652 119.446 120.400 -0.504 0.000 2.211 280 K HA -0.045 4.275 4.320 0.001 0.000 0.201 280 K C 1.252 177.420 176.600 -0.721 0.000 1.052 280 K CA 0.958 56.809 56.287 -0.726 0.000 0.973 280 K CB 0.152 31.929 32.500 -1.205 0.000 0.766 280 K HN 0.288 nan 8.250 nan 0.000 0.466 281 Y N -0.392 119.795 120.300 -0.189 0.000 2.527 281 Y HA 0.235 4.785 4.550 0.001 0.000 0.247 281 Y C 1.344 177.208 175.900 -0.061 0.000 1.138 281 Y CA 0.021 58.063 58.100 -0.096 0.000 1.228 281 Y CB 0.584 39.011 38.460 -0.056 0.000 1.252 281 Y HN 0.185 nan 8.280 nan 0.000 0.531 282 G N 1.104 109.931 108.800 0.046 0.000 2.574 282 G HA2 -0.357 3.603 3.960 0.001 0.000 0.286 282 G HA3 -0.357 3.603 3.960 0.001 0.000 0.286 282 G C 0.343 175.281 174.900 0.062 0.000 1.212 282 G CA 0.694 45.813 45.100 0.032 0.000 0.979 282 G HN 0.278 nan 8.290 nan 0.000 0.557 283 D N 0.821 121.254 120.400 0.055 0.000 2.328 283 D HA 0.139 4.779 4.640 0.001 0.000 0.226 283 D C 2.203 178.543 176.300 0.068 0.000 1.066 283 D CA 0.464 54.499 54.000 0.060 0.000 0.861 283 D CB 0.176 41.010 40.800 0.056 0.000 0.912 283 D HN 0.538 nan 8.370 nan 0.000 0.521 284 K N -0.119 120.330 120.400 0.083 0.000 2.148 284 K HA 0.022 4.342 4.320 0.001 0.000 0.204 284 K C 0.561 177.190 176.600 0.049 0.000 1.050 284 K CA 0.556 56.891 56.287 0.079 0.000 0.942 284 K CB 0.625 33.193 32.500 0.113 0.000 0.724 284 K HN -0.041 nan 8.250 nan 0.000 0.446 285 V N 2.857 122.792 119.914 0.035 0.000 2.398 285 V HA 0.140 4.260 4.120 0.001 0.000 0.286 285 V C -0.290 175.806 176.094 0.004 0.000 1.026 285 V CA -0.896 61.375 62.300 -0.048 0.000 0.868 285 V CB 1.533 33.216 31.823 -0.233 0.000 0.982 285 V HN 0.047 nan 8.190 nan 0.000 0.443 286 K N 3.654 124.069 120.400 0.025 0.000 2.183 286 K HA 0.619 4.940 4.320 0.001 0.000 0.274 286 K C -0.773 175.867 176.600 0.065 0.000 1.009 286 K CA -0.425 55.905 56.287 0.072 0.000 0.888 286 K CB 2.098 34.674 32.500 0.126 0.000 1.078 286 K HN 0.434 nan 8.250 nan 0.000 0.459 287 V N 1.787 121.710 119.914 0.014 0.000 2.525 287 V HA 0.611 4.731 4.120 0.001 0.000 0.299 287 V C -0.136 175.785 176.094 -0.289 0.000 1.034 287 V CA -0.520 61.740 62.300 -0.067 0.000 0.863 287 V CB 1.712 33.495 31.823 -0.067 0.000 0.999 287 V HN 0.841 nan 8.190 nan 0.000 0.423 288 G N 4.448 112.894 108.800 -0.589 0.000 2.504 288 G HA2 0.838 4.798 3.960 0.001 0.000 0.288 288 G HA3 0.838 4.798 3.960 0.001 0.000 0.288 288 G C -0.309 174.142 174.900 -0.747 0.000 1.182 288 G CA 0.120 44.303 45.100 -1.528 0.000 0.894 288 G HN 1.608 nan 8.290 nan 0.000 0.521 289 A N -1.088 121.355 122.820 -0.627 0.000 2.568 289 A HA 1.002 5.322 4.320 0.001 0.000 0.291 289 A C 0.540 177.993 177.584 -0.218 0.000 1.159 289 A CA 0.415 52.258 52.037 -0.324 0.000 0.679 289 A CB 0.865 19.712 19.000 -0.254 0.000 1.285 289 A HN 2.644 nan 8.150 nan 0.000 0.428 290 G N 0.054 108.772 108.800 -0.137 0.000 2.520 290 G HA2 0.172 4.133 3.960 0.001 0.000 0.248 290 G HA3 0.172 4.133 3.960 0.001 0.000 0.248 290 G C -0.066 174.798 174.900 -0.059 0.000 1.161 290 G CA 0.839 45.889 45.100 -0.083 0.000 0.946 290 G HN 2.401 nan 8.290 nan 0.000 0.565 291 N N -1.273 117.398 118.700 -0.048 0.000 4.414 291 N HA 0.119 4.860 4.740 0.001 0.000 0.281 291 N C -0.636 174.866 175.510 -0.013 0.000 0.876 291 N CA 0.846 53.877 53.050 -0.031 0.000 0.740 291 N CB -1.038 37.428 38.487 -0.036 0.000 1.526 291 N HN 1.599 nan 8.380 nan 0.000 0.617 292 I N -2.198 118.358 120.570 -0.024 0.000 3.108 292 I HA 0.843 5.013 4.170 0.001 0.000 0.312 292 I C 0.942 177.047 176.117 -0.020 0.000 1.095 292 I CA -0.791 60.495 61.300 -0.024 0.000 1.000 292 I CB 1.708 39.645 38.000 -0.106 0.000 1.229 292 I HN 0.038 nan 8.210 nan 0.000 0.454 293 V N -1.812 118.094 119.914 -0.012 0.000 3.337 293 V HA 0.514 4.634 4.120 0.001 0.000 0.307 293 V C -0.788 175.286 176.094 -0.032 0.000 1.505 293 V CA 0.267 62.549 62.300 -0.031 0.000 1.072 293 V CB -0.806 30.994 31.823 -0.038 0.000 0.929 293 V HN 0.994 nan 8.190 nan 0.000 0.455 294 D N -0.967 119.426 120.400 -0.012 0.000 2.626 294 D HA 0.454 5.095 4.640 0.001 0.000 0.278 294 D C 1.245 177.552 176.300 0.010 0.000 1.211 294 D CA 0.153 54.158 54.000 0.007 0.000 0.903 294 D CB 1.184 42.021 40.800 0.062 0.000 1.408 294 D HN 0.001 nan 8.370 nan 0.000 0.454 295 G N -0.210 108.607 108.800 0.028 0.000 2.440 295 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 295 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 295 G C 1.029 175.969 174.900 0.067 0.000 1.154 295 G CA 0.972 46.098 45.100 0.044 0.000 0.767 295 G HN 0.622 nan 8.290 nan 0.000 0.552 296 E N 0.067 120.300 120.200 0.055 0.000 2.058 296 E HA -0.082 4.268 4.350 0.001 0.000 0.194 296 E C 2.803 179.220 176.600 -0.305 0.000 0.997 296 E CA 0.739 57.164 56.400 0.041 0.000 0.801 296 E CB -0.380 29.452 29.700 0.220 0.000 0.746 296 E HN 0.395 nan 8.360 nan 0.000 0.450 297 G N 0.886 109.343 108.800 -0.571 0.000 2.418 297 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 297 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 297 G C 1.387 175.964 174.900 -0.538 0.000 1.158 297 G CA 0.619 45.021 45.100 -1.164 0.000 0.771 297 G HN 0.251 nan 8.290 nan 0.000 0.545 298 F N 1.842 121.578 119.950 -0.356 0.000 2.069 298 F HA -0.102 4.425 4.527 0.001 0.000 0.298 298 F C 2.728 178.350 175.800 -0.297 0.000 1.113 298 F CA 2.044 59.876 58.000 -0.280 0.000 1.214 298 F CB -0.157 38.709 39.000 -0.223 0.000 0.978 298 F HN 0.123 nan 8.300 nan 0.000 0.474 299 R N -0.431 120.009 120.500 -0.101 0.000 2.091 299 R HA -0.271 4.070 4.340 0.001 0.000 0.238 299 R C 2.205 178.369 176.300 -0.227 0.000 1.136 299 R CA 2.225 58.239 56.100 -0.143 0.000 0.959 299 R CB -1.587 28.764 30.300 0.084 0.000 0.856 299 R HN 0.529 nan 8.270 nan 0.000 0.437 300 Y N 0.360 120.474 120.300 -0.311 0.000 2.145 300 Y HA -0.136 4.414 4.550 0.001 0.000 0.286 300 Y C 1.750 177.490 175.900 -0.267 0.000 1.145 300 Y CA 2.044 60.013 58.100 -0.218 0.000 1.148 300 Y CB -0.172 38.180 38.460 -0.179 0.000 0.981 300 Y HN 0.073 nan 8.280 nan 0.000 0.507 301 L N -0.708 120.316 121.223 -0.332 0.000 2.217 301 L HA -0.118 4.222 4.340 0.001 0.000 0.211 301 L C 2.689 179.252 176.870 -0.512 0.000 1.107 301 L CA 0.807 55.410 54.840 -0.394 0.000 0.783 301 L CB -0.855 41.009 42.059 -0.325 0.000 0.919 301 L HN 0.309 nan 8.230 nan 0.000 0.442 302 A N 0.078 122.460 122.820 -0.731 0.000 1.873 302 A HA -0.207 4.113 4.320 0.001 0.000 0.215 302 A C 1.911 179.244 177.584 -0.418 0.000 1.186 302 A CA 1.806 53.360 52.037 -0.805 0.000 0.616 302 A CB -0.440 17.654 19.000 -1.510 0.000 0.823 302 A HN 0.306 nan 8.150 nan 0.000 0.442 303 D N 0.099 120.301 120.400 -0.330 0.000 2.219 303 D HA -0.010 4.630 4.640 0.001 0.000 0.205 303 D C 2.043 178.213 176.300 -0.217 0.000 0.970 303 D CA 1.283 55.188 54.000 -0.159 0.000 0.851 303 D CB -0.311 40.415 40.800 -0.123 0.000 0.943 303 D HN 0.434 nan 8.370 nan 0.000 0.488 304 A N -0.172 122.443 122.820 -0.341 0.000 2.067 304 A HA 0.256 4.577 4.320 0.001 0.000 0.219 304 A C 1.851 179.315 177.584 -0.199 0.000 1.158 304 A CA 1.620 53.470 52.037 -0.312 0.000 0.661 304 A CB -0.159 18.602 19.000 -0.399 0.000 0.801 304 A HN 0.304 nan 8.150 nan 0.000 0.452 305 G N -2.616 106.071 108.800 -0.188 0.000 2.154 305 G HA2 0.200 4.160 3.960 0.001 0.000 0.186 305 G HA3 0.200 4.160 3.960 0.001 0.000 0.186 305 G C 0.353 175.176 174.900 -0.129 0.000 1.000 305 G CA 0.129 45.156 45.100 -0.122 0.000 0.664 305 G HN 1.511 nan 8.290 nan 0.000 0.513 306 A N 0.234 122.935 122.820 -0.198 0.000 2.531 306 A HA 0.480 4.800 4.320 0.001 0.000 0.236 306 A C 1.200 178.702 177.584 -0.137 0.000 1.062 306 A CA 0.975 52.887 52.037 -0.208 0.000 0.760 306 A CB 0.271 19.097 19.000 -0.290 0.000 0.995 306 A HN 0.252 nan 8.150 nan 0.000 0.501 307 D N 0.112 120.456 120.400 -0.093 0.000 2.289 307 D HA 0.148 4.788 4.640 0.001 0.000 0.207 307 D C -0.108 176.325 176.300 0.221 0.000 0.966 307 D CA 1.441 55.483 54.000 0.070 0.000 0.868 307 D CB 0.047 40.930 40.800 0.138 0.000 0.943 307 D HN 0.582 nan 8.370 nan 0.000 0.514 308 F N -0.736 119.247 119.950 0.056 0.000 2.678 308 F HA 0.525 5.052 4.527 0.001 0.000 0.308 308 F C -1.879 173.921 175.800 -0.000 0.000 1.118 308 F CA -1.387 56.667 58.000 0.090 0.000 0.959 308 F CB 0.854 40.025 39.000 0.284 0.000 1.305 308 F HN -0.377 nan 8.300 nan 0.000 0.443 309 I N 2.655 123.354 120.570 0.216 0.000 2.436 309 I HA 0.397 4.567 4.170 0.001 0.000 0.289 309 I C -0.722 175.458 176.117 0.105 0.000 1.010 309 I CA -0.892 60.429 61.300 0.035 0.000 1.098 309 I CB 2.177 40.147 38.000 -0.050 0.000 1.266 309 I HN 0.648 nan 8.210 nan 0.000 0.434 310 K N 6.237 126.667 120.400 0.050 0.000 2.205 310 K HA 0.613 4.933 4.320 0.001 0.000 0.279 310 K C -1.002 175.586 176.600 -0.020 0.000 1.027 310 K CA -0.254 56.047 56.287 0.024 0.000 0.932 310 K CB 0.950 33.470 32.500 0.033 0.000 1.032 310 K HN 0.463 nan 8.250 nan 0.000 0.466 311 I N 2.816 123.362 120.570 -0.040 0.000 2.412 311 I HA 0.553 4.724 4.170 0.001 0.000 0.296 311 I C -0.001 176.095 176.117 -0.036 0.000 0.987 311 I CA -0.456 60.819 61.300 -0.040 0.000 1.180 311 I CB 1.987 39.953 38.000 -0.056 0.000 1.340 311 I HN 0.796 nan 8.210 nan 0.000 0.455 312 G N 6.341 115.120 108.800 -0.035 0.000 2.957 312 G HA2 0.104 4.065 3.960 0.001 0.000 0.636 312 G HA3 0.104 4.065 3.960 0.001 0.000 0.636 312 G C -1.294 173.596 174.900 -0.017 0.000 1.401 312 G CA -0.973 44.108 45.100 -0.033 0.000 0.941 312 G HN 0.504 nan 8.290 nan 0.000 0.610 313 I N 2.064 122.624 120.570 -0.016 0.000 2.500 313 I HA 0.556 4.726 4.170 0.001 0.000 0.286 313 I C 1.127 177.249 176.117 0.009 0.000 1.063 313 I CA 0.254 61.559 61.300 0.007 0.000 1.062 313 I CB 1.729 39.739 38.000 0.016 0.000 1.223 313 I HN 1.941 nan 8.210 nan 0.000 0.435 314 G N 3.942 112.761 108.800 0.032 0.000 2.199 314 G HA2 -0.249 3.712 3.960 0.001 0.000 0.254 314 G HA3 -0.249 3.712 3.960 0.001 0.000 0.254 314 G C 0.981 175.891 174.900 0.017 0.000 0.982 314 G CA 0.329 45.448 45.100 0.033 0.000 0.632 314 G HN 0.873 nan 8.290 nan 0.000 0.529 315 G N 0.666 109.468 108.800 0.004 0.000 2.712 315 G HA2 0.445 4.405 3.960 0.001 0.000 0.212 315 G HA3 0.445 4.405 3.960 0.001 0.000 0.212 315 G C 1.122 176.042 174.900 0.033 0.000 1.142 315 G CA 0.999 46.098 45.100 -0.002 0.000 0.789 315 G HN 1.415 nan 8.290 nan 0.000 0.535 316 G N 0.696 109.526 108.800 0.051 0.000 2.414 316 G HA2 0.286 4.247 3.960 0.001 0.000 0.236 316 G HA3 0.286 4.247 3.960 0.001 0.000 0.236 316 G C 1.336 176.285 174.900 0.081 0.000 1.293 316 G CA 0.574 45.720 45.100 0.077 0.000 0.869 316 G HN 0.443 nan 8.290 nan 0.000 0.556 317 S N 1.638 117.406 115.700 0.113 0.000 2.400 317 S HA -0.239 4.231 4.470 0.001 0.000 0.232 317 S C 1.782 176.443 174.600 0.102 0.000 1.025 317 S CA 1.652 59.922 58.200 0.115 0.000 0.993 317 S CB -0.300 62.993 63.200 0.156 0.000 0.808 317 S HN 0.885 nan 8.310 nan 0.000 0.478 318 I N -0.621 119.999 120.570 0.083 0.000 3.904 318 I HA 0.456 4.626 4.170 0.001 0.000 0.333 318 I C 0.468 176.584 176.117 -0.002 0.000 1.361 318 I CA -1.756 59.540 61.300 -0.006 0.000 1.116 318 I CB -0.890 36.995 38.000 -0.193 0.000 1.028 318 I HN 0.312 nan 8.210 nan 0.000 0.398 319 C N 2.678 121.997 119.300 0.033 0.000 2.369 319 C HA 0.660 5.120 4.460 0.001 0.000 0.358 319 C C 1.292 176.307 174.990 0.040 0.000 1.274 319 C CA -0.741 58.305 59.018 0.047 0.000 1.935 319 C CB -0.171 27.611 27.740 0.069 0.000 2.431 319 C HN 0.612 nan 8.230 nan 0.000 0.545 320 I N 2.921 123.515 120.570 0.039 0.000 3.817 320 I HA 0.224 4.394 4.170 0.001 0.000 0.325 320 I C 1.198 177.340 176.117 0.042 0.000 1.550 320 I CA -0.075 61.244 61.300 0.031 0.000 1.100 320 I CB -0.345 37.665 38.000 0.017 0.000 1.216 320 I HN 0.527 nan 8.210 nan 0.000 0.481 321 T N 1.425 116.020 114.554 0.069 0.000 2.720 321 T HA -0.109 4.242 4.350 0.001 0.000 0.268 321 T C 1.928 176.666 174.700 0.065 0.000 1.037 321 T CA 1.851 64.009 62.100 0.096 0.000 1.144 321 T CB -0.236 68.719 68.868 0.146 0.000 0.864 321 T HN 0.470 nan 8.240 nan 0.000 0.444 322 R N 0.770 121.296 120.500 0.044 0.000 2.152 322 R HA -0.046 4.294 4.340 0.001 0.000 0.232 322 R C 2.256 178.561 176.300 0.009 0.000 1.117 322 R CA 1.143 57.257 56.100 0.022 0.000 0.981 322 R CB -0.112 30.194 30.300 0.010 0.000 0.870 322 R HN 0.550 nan 8.270 nan 0.000 0.451 323 E N -0.423 119.781 120.200 0.006 0.000 2.340 323 E HA -0.037 4.313 4.350 0.001 0.000 0.194 323 E C 1.870 178.452 176.600 -0.029 0.000 0.996 323 E CA 0.234 56.628 56.400 -0.009 0.000 0.869 323 E CB 0.385 30.081 29.700 -0.006 0.000 0.835 323 E HN 0.228 nan 8.360 nan 0.000 0.493 324 Q N 0.266 120.051 119.800 -0.026 0.000 2.226 324 Q HA 0.052 4.392 4.340 0.001 0.000 0.199 324 Q C 1.411 177.344 176.000 -0.112 0.000 0.945 324 Q CA 0.963 56.716 55.803 -0.083 0.000 0.861 324 Q CB 0.389 29.103 28.738 -0.041 0.000 0.953 324 Q HN 0.103 nan 8.270 nan 0.000 0.490 325 K N -1.351 119.037 120.400 -0.020 0.000 2.391 325 K HA 0.207 4.528 4.320 0.001 0.000 0.197 325 K C 0.726 177.329 176.600 0.006 0.000 1.087 325 K CA 0.534 56.822 56.287 0.002 0.000 1.012 325 K CB 1.169 33.729 32.500 0.100 0.000 0.925 325 K HN 0.241 nan 8.250 nan 0.000 0.547 326 G N 2.802 111.605 108.800 0.006 0.000 2.147 326 G HA2 -0.245 3.715 3.960 0.001 0.000 0.244 326 G HA3 -0.245 3.715 3.960 0.001 0.000 0.244 326 G C 0.078 174.985 174.900 0.011 0.000 1.005 326 G CA 0.554 45.656 45.100 0.003 0.000 0.713 326 G HN 0.412 nan 8.290 nan 0.000 0.515 327 I N -2.818 117.767 120.570 0.026 0.000 2.648 327 I HA 0.971 5.141 4.170 0.001 0.000 0.304 327 I C 0.629 176.757 176.117 0.019 0.000 1.009 327 I CA -0.585 60.731 61.300 0.026 0.000 1.114 327 I CB 2.294 40.322 38.000 0.048 0.000 1.293 327 I HN 1.244 nan 8.210 nan 0.000 0.449 328 G N 3.305 112.106 108.800 0.002 0.000 2.357 328 G HA2 0.307 4.267 3.960 0.001 0.000 0.289 328 G HA3 0.307 4.267 3.960 0.001 0.000 0.289 328 G C -1.729 173.141 174.900 -0.050 0.000 1.302 328 G CA -0.984 44.108 45.100 -0.014 0.000 0.936 328 G HN 0.973 nan 8.290 nan 0.000 0.513 329 R N -1.003 119.456 120.500 -0.069 0.000 2.664 329 R HA 0.551 4.892 4.340 0.001 0.000 0.260 329 R C 0.334 176.563 176.300 -0.118 0.000 1.062 329 R CA -0.176 55.859 56.100 -0.108 0.000 0.902 329 R CB 1.242 31.467 30.300 -0.125 0.000 1.258 329 R HN 1.720 nan 8.270 nan 0.000 0.465 330 G N 1.829 110.547 108.800 -0.136 0.000 2.265 330 G HA2 -0.104 3.857 3.960 0.001 0.000 0.240 330 G HA3 -0.104 3.857 3.960 0.001 0.000 0.240 330 G C 0.531 175.307 174.900 -0.207 0.000 1.270 330 G CA -0.000 45.008 45.100 -0.154 0.000 0.901 330 G HN 0.715 nan 8.290 nan 0.000 0.507 331 Q N 2.691 122.307 119.800 -0.307 0.000 2.077 331 Q HA -0.158 4.182 4.340 0.001 0.000 0.206 331 Q C 2.716 178.428 176.000 -0.480 0.000 0.989 331 Q CA 2.690 58.248 55.803 -0.407 0.000 0.853 331 Q CB -0.385 28.009 28.738 -0.572 0.000 0.907 331 Q HN 0.706 nan 8.270 nan 0.000 0.418 332 A N -0.931 121.509 122.820 -0.634 0.000 1.877 332 A HA -0.189 4.132 4.320 0.001 0.000 0.216 332 A C 2.331 179.797 177.584 -0.198 0.000 1.186 332 A CA 2.029 53.798 52.037 -0.447 0.000 0.620 332 A CB -1.146 17.606 19.000 -0.413 0.000 0.822 332 A HN 0.495 nan 8.150 nan 0.000 0.443 333 T N 0.347 114.845 114.554 -0.094 0.000 2.720 333 T HA -0.054 4.297 4.350 0.001 0.000 0.268 333 T C 2.185 176.835 174.700 -0.084 0.000 1.037 333 T CA 1.624 63.703 62.100 -0.035 0.000 1.144 333 T CB -0.456 68.397 68.868 -0.026 0.000 0.864 333 T HN 0.608 nan 8.240 nan 0.000 0.444 334 A N 0.947 123.696 122.820 -0.119 0.000 1.877 334 A HA -0.057 4.263 4.320 0.001 0.000 0.216 334 A C 2.596 180.122 177.584 -0.097 0.000 1.186 334 A CA 1.465 53.438 52.037 -0.106 0.000 0.620 334 A CB -1.040 17.895 19.000 -0.109 0.000 0.822 334 A HN 0.353 nan 8.150 nan 0.000 0.443 335 V N 0.330 120.180 119.914 -0.107 0.000 2.295 335 V HA -0.291 3.829 4.120 0.001 0.000 0.246 335 V C 2.447 178.484 176.094 -0.096 0.000 1.049 335 V CA 2.141 64.386 62.300 -0.091 0.000 1.024 335 V CB -0.757 31.032 31.823 -0.057 0.000 0.648 335 V HN 0.578 nan 8.190 nan 0.000 0.447 336 I N 0.322 120.838 120.570 -0.089 0.000 2.208 336 I HA -0.270 3.900 4.170 0.001 0.000 0.245 336 I C 2.371 178.448 176.117 -0.067 0.000 1.097 336 I CA 2.103 63.360 61.300 -0.071 0.000 1.363 336 I CB -0.460 37.511 38.000 -0.048 0.000 1.051 336 I HN 0.379 nan 8.210 nan 0.000 0.413 337 D N 0.584 120.947 120.400 -0.062 0.000 2.097 337 D HA -0.130 4.510 4.640 0.001 0.000 0.197 337 D C 2.195 178.434 176.300 -0.102 0.000 0.984 337 D CA 1.136 55.104 54.000 -0.054 0.000 0.826 337 D CB 0.056 40.835 40.800 -0.035 0.000 0.973 337 D HN 0.056 nan 8.370 nan 0.000 0.460 338 V N -0.061 119.776 119.914 -0.129 0.000 2.343 338 V HA -0.196 3.924 4.120 0.001 0.000 0.247 338 V C 2.650 178.520 176.094 -0.373 0.000 1.051 338 V CA 1.194 63.362 62.300 -0.219 0.000 1.036 338 V CB -0.361 31.373 31.823 -0.148 0.000 0.654 338 V HN 0.131 nan 8.190 nan 0.000 0.451 339 V N 0.312 120.071 119.914 -0.257 0.000 2.343 339 V HA -0.271 3.850 4.120 0.001 0.000 0.247 339 V C 2.704 178.661 176.094 -0.227 0.000 1.051 339 V CA 2.003 64.152 62.300 -0.252 0.000 1.036 339 V CB -1.093 30.644 31.823 -0.142 0.000 0.654 339 V HN 0.569 nan 8.190 nan 0.000 0.451 340 A N -0.120 122.606 122.820 -0.158 0.000 1.908 340 A HA -0.275 4.046 4.320 0.001 0.000 0.218 340 A C 2.201 179.707 177.584 -0.129 0.000 1.181 340 A CA 2.167 54.145 52.037 -0.100 0.000 0.627 340 A CB -0.497 18.472 19.000 -0.052 0.000 0.818 340 A HN 0.558 nan 8.150 nan 0.000 0.445 341 E N -0.277 119.796 120.200 -0.212 0.000 2.106 341 E HA -0.160 4.191 4.350 0.001 0.000 0.192 341 E C 2.213 178.594 176.600 -0.364 0.000 0.984 341 E CA 1.095 57.368 56.400 -0.212 0.000 0.806 341 E CB -0.223 29.360 29.700 -0.194 0.000 0.750 341 E HN 0.410 nan 8.360 nan 0.000 0.458 342 R N 0.592 120.618 120.500 -0.791 0.000 2.081 342 R HA -0.111 4.230 4.340 0.001 0.000 0.235 342 R C 1.351 177.554 176.300 -0.161 0.000 1.131 342 R CA 1.592 57.206 56.100 -0.811 0.000 0.960 342 R CB -0.561 29.204 30.300 -0.891 0.000 0.856 342 R HN 0.234 nan 8.270 nan 0.000 0.436 343 N N 0.997 119.636 118.700 -0.102 0.000 2.244 343 N HA -0.104 4.636 4.740 0.001 0.000 0.183 343 N C 1.615 177.221 175.510 0.160 0.000 1.016 343 N CA 1.118 54.220 53.050 0.086 0.000 0.866 343 N CB -0.091 38.433 38.487 0.062 0.000 0.980 343 N HN 0.324 nan 8.380 nan 0.000 0.430 344 K N -0.210 120.246 120.400 0.094 0.000 2.062 344 K HA -0.105 4.216 4.320 0.001 0.000 0.205 344 K C 1.869 178.556 176.600 0.146 0.000 1.051 344 K CA 0.726 57.074 56.287 0.101 0.000 0.941 344 K CB -0.249 32.297 32.500 0.077 0.000 0.719 344 K HN 0.140 nan 8.250 nan 0.000 0.440 345 Y N 0.645 120.997 120.300 0.087 0.000 2.181 345 Y HA -0.274 4.276 4.550 0.001 0.000 0.288 345 Y C 2.047 178.038 175.900 0.151 0.000 1.146 345 Y CA 1.366 59.551 58.100 0.142 0.000 1.164 345 Y CB -0.227 38.404 38.460 0.285 0.000 0.982 345 Y HN 0.026 nan 8.280 nan 0.000 0.515 346 F N 1.185 121.212 119.950 0.128 0.000 2.102 346 F HA -0.163 4.364 4.527 0.001 0.000 0.298 346 F C 2.119 177.920 175.800 0.002 0.000 1.105 346 F CA 2.182 60.222 58.000 0.066 0.000 1.239 346 F CB -0.611 38.465 39.000 0.127 0.000 0.991 346 F HN 0.107 nan 8.300 nan 0.000 0.474 347 E N -0.165 119.975 120.200 -0.101 0.000 2.150 347 E HA -0.203 4.147 4.350 0.001 0.000 0.193 347 E C 2.052 178.524 176.600 -0.214 0.000 0.985 347 E CA 1.470 57.739 56.400 -0.219 0.000 0.814 347 E CB -0.168 29.501 29.700 -0.051 0.000 0.752 347 E HN 0.605 nan 8.360 nan 0.000 0.466 348 E N -0.357 119.739 120.200 -0.174 0.000 2.076 348 E HA -0.106 4.245 4.350 0.001 0.000 0.190 348 E C 2.094 178.544 176.600 -0.250 0.000 0.979 348 E CA 1.637 57.924 56.400 -0.187 0.000 0.807 348 E CB 0.125 29.721 29.700 -0.173 0.000 0.761 348 E HN 0.264 nan 8.360 nan 0.000 0.454 349 T N -3.909 110.438 114.554 -0.346 0.000 2.990 349 T HA 0.288 4.639 4.350 0.001 0.000 0.250 349 T C 1.568 176.136 174.700 -0.220 0.000 1.041 349 T CA 0.411 62.322 62.100 -0.314 0.000 1.010 349 T CB 0.875 69.451 68.868 -0.487 0.000 1.003 349 T HN 0.267 nan 8.240 nan 0.000 0.499 350 G N 1.610 110.232 108.800 -0.297 0.000 2.162 350 G HA2 -0.201 3.759 3.960 0.001 0.000 0.260 350 G HA3 -0.201 3.759 3.960 0.001 0.000 0.260 350 G C -0.019 174.886 174.900 0.009 0.000 0.976 350 G CA 0.227 45.148 45.100 -0.298 0.000 0.655 350 G HN 0.668 nan 8.290 nan 0.000 0.533 351 I N 0.351 120.998 120.570 0.128 0.000 2.339 351 I HA 0.410 4.580 4.170 0.001 0.000 0.290 351 I C -0.104 176.283 176.117 0.450 0.000 0.994 351 I CA -1.207 60.248 61.300 0.258 0.000 1.191 351 I CB 1.261 39.376 38.000 0.192 0.000 1.343 351 I HN 0.121 nan 8.210 nan 0.000 0.458 352 Y N 7.816 128.122 120.300 0.010 0.000 2.367 352 Y HA 0.526 5.076 4.550 0.001 0.000 0.342 352 Y C -0.373 175.372 175.900 -0.257 0.000 0.979 352 Y CA -0.465 57.430 58.100 -0.341 0.000 1.161 352 Y CB 0.719 38.516 38.460 -1.104 0.000 1.155 352 Y HN 0.376 nan 8.280 nan 0.000 0.503 353 I N 9.846 130.186 120.570 -0.385 0.000 2.328 353 I HA 0.307 4.478 4.170 0.001 0.000 0.287 353 I C -2.337 173.634 176.117 -0.244 0.000 1.012 353 I CA -2.257 58.955 61.300 -0.146 0.000 1.195 353 I CB 1.261 39.272 38.000 0.018 0.000 1.350 353 I HN 0.494 nan 8.210 nan 0.000 0.464 354 P HA 0.072 nan 4.420 nan 0.000 0.269 354 P C -0.753 176.607 177.300 0.100 0.000 1.209 354 P CA -0.129 63.069 63.100 0.163 0.000 0.776 354 P CB 0.803 32.785 31.700 0.471 0.000 0.876 355 V N 0.466 120.341 119.914 -0.065 0.000 2.769 355 V HA 0.656 4.776 4.120 0.001 0.000 0.312 355 V C -0.759 175.043 176.094 -0.487 0.000 1.061 355 V CA -0.970 61.243 62.300 -0.145 0.000 0.931 355 V CB 1.753 33.515 31.823 -0.102 0.000 1.010 355 V HN 0.702 nan 8.190 nan 0.000 0.433 356 C N 3.295 122.283 119.300 -0.520 0.000 2.345 356 C HA 0.733 5.193 4.460 0.001 0.000 0.323 356 C C 0.546 175.362 174.990 -0.290 0.000 1.276 356 C CA 0.073 58.654 59.018 -0.728 0.000 1.543 356 C CB 0.722 27.949 27.740 -0.855 0.000 2.211 356 C HN 1.220 nan 8.230 nan 0.000 0.493 357 S N 3.893 119.468 115.700 -0.207 0.000 2.416 357 S HA 0.296 4.767 4.470 0.001 0.000 0.287 357 S C -0.547 174.040 174.600 -0.021 0.000 1.139 357 S CA -0.040 58.125 58.200 -0.060 0.000 1.058 357 S CB -0.104 63.109 63.200 0.022 0.000 0.967 357 S HN 0.874 nan 8.310 nan 0.000 0.495 358 D N 3.842 124.238 120.400 -0.007 0.000 2.392 358 D HA 0.615 5.255 4.640 0.001 0.000 0.228 358 D C 0.279 176.606 176.300 0.045 0.000 1.074 358 D CA 0.828 54.840 54.000 0.020 0.000 0.838 358 D CB 0.693 41.495 40.800 0.004 0.000 1.067 358 D HN 0.911 nan 8.370 nan 0.000 0.511 359 G N 1.867 110.709 108.800 0.071 0.000 2.690 359 G HA2 0.405 4.366 3.960 0.001 0.000 0.686 359 G HA3 0.405 4.366 3.960 0.001 0.000 0.686 359 G C 0.719 175.690 174.900 0.118 0.000 1.277 359 G CA 0.014 45.163 45.100 0.082 0.000 0.799 359 G HN 1.473 nan 8.290 nan 0.000 0.613 360 G N -1.024 107.842 108.800 0.110 0.000 2.176 360 G HA2 -0.119 3.841 3.960 0.001 0.000 0.253 360 G HA3 -0.119 3.841 3.960 0.001 0.000 0.253 360 G C 0.583 175.622 174.900 0.231 0.000 0.979 360 G CA 0.599 45.789 45.100 0.149 0.000 0.641 360 G HN 1.657 nan 8.290 nan 0.000 0.530 361 I N 1.832 122.481 120.570 0.133 0.000 2.505 361 I HA 0.206 4.377 4.170 0.001 0.000 0.287 361 I C 1.652 177.755 176.117 -0.023 0.000 1.104 361 I CA 0.307 61.622 61.300 0.025 0.000 1.387 361 I CB 0.943 38.861 38.000 -0.136 0.000 1.404 361 I HN -0.030 nan 8.210 nan 0.000 0.528 362 V N 7.188 127.093 119.914 -0.016 0.000 2.806 362 V HA 0.070 4.190 4.120 0.001 0.000 0.239 362 V C -0.059 175.618 176.094 -0.694 0.000 1.113 362 V CA 0.560 62.617 62.300 -0.405 0.000 1.137 362 V CB -0.144 31.327 31.823 -0.587 0.000 0.865 362 V HN 0.498 nan 8.190 nan 0.000 0.482 363 Y N 0.262 120.210 120.300 -0.587 0.000 2.528 363 Y HA 0.443 4.993 4.550 0.001 0.000 0.335 363 Y C 1.193 176.834 175.900 -0.431 0.000 1.093 363 Y CA -1.576 56.222 58.100 -0.504 0.000 1.134 363 Y CB 0.478 38.585 38.460 -0.590 0.000 1.253 363 Y HN -0.080 nan 8.280 nan 0.000 0.478 364 D N 0.355 120.747 120.400 -0.014 0.000 2.149 364 D HA -0.243 4.398 4.640 0.001 0.000 0.198 364 D C 1.832 178.104 176.300 -0.047 0.000 0.990 364 D CA 1.925 55.898 54.000 -0.045 0.000 0.839 364 D CB -0.357 40.467 40.800 0.040 0.000 0.948 364 D HN 0.796 nan 8.370 nan 0.000 0.460 365 Y N -0.205 120.068 120.300 -0.045 0.000 2.497 365 Y HA -0.098 4.452 4.550 0.001 0.000 0.292 365 Y C 1.919 177.832 175.900 0.021 0.000 1.137 365 Y CA 1.021 59.113 58.100 -0.013 0.000 1.285 365 Y CB -0.690 37.778 38.460 0.013 0.000 0.991 365 Y HN 0.014 nan 8.280 nan 0.000 0.556 366 H N 0.431 119.106 119.070 -0.658 0.000 2.423 366 H HA -0.078 4.479 4.556 0.001 0.000 0.297 366 H C 1.963 176.871 175.328 -0.701 0.000 1.075 366 H CA 1.624 57.185 56.048 -0.811 0.000 1.342 366 H CB -0.326 28.950 29.762 -0.811 0.000 1.395 366 H HN 0.497 nan 8.280 nan 0.000 0.530 367 M N -0.453 118.956 119.600 -0.320 0.000 2.086 367 M HA -0.149 4.331 4.480 0.001 0.000 0.261 367 M C 2.176 178.361 176.300 -0.192 0.000 1.067 367 M CA 1.955 57.091 55.300 -0.274 0.000 1.116 367 M CB -0.355 32.112 32.600 -0.220 0.000 1.348 367 M HN 0.136 nan 8.290 nan 0.000 0.407 368 T N 1.404 115.893 114.554 -0.108 0.000 2.720 368 T HA -0.110 4.240 4.350 0.001 0.000 0.268 368 T C 1.865 176.533 174.700 -0.052 0.000 1.037 368 T CA 1.179 63.254 62.100 -0.042 0.000 1.144 368 T CB -0.434 68.451 68.868 0.029 0.000 0.864 368 T HN 0.298 nan 8.240 nan 0.000 0.444 369 L N 0.720 121.894 121.223 -0.081 0.000 2.017 369 L HA -0.089 4.252 4.340 0.001 0.000 0.208 369 L C 3.128 179.926 176.870 -0.120 0.000 1.073 369 L CA 1.288 56.083 54.840 -0.076 0.000 0.745 369 L CB -0.762 41.261 42.059 -0.060 0.000 0.894 369 L HN 0.259 nan 8.230 nan 0.000 0.432 370 A N 0.222 122.891 122.820 -0.251 0.000 1.908 370 A HA -0.187 4.134 4.320 0.001 0.000 0.218 370 A C 2.245 179.787 177.584 -0.069 0.000 1.181 370 A CA 1.570 53.533 52.037 -0.123 0.000 0.627 370 A CB -0.747 18.121 19.000 -0.220 0.000 0.818 370 A HN 0.363 nan 8.150 nan 0.000 0.445 371 L N -0.908 120.268 121.223 -0.078 0.000 2.027 371 L HA -0.177 4.163 4.340 0.001 0.000 0.206 371 L C 3.106 179.962 176.870 -0.022 0.000 1.074 371 L CA 1.086 55.904 54.840 -0.037 0.000 0.745 371 L CB -0.643 41.400 42.059 -0.027 0.000 0.898 371 L HN 0.428 nan 8.230 nan 0.000 0.433 372 A N -0.182 122.623 122.820 -0.025 0.000 1.940 372 A HA -0.216 4.105 4.320 0.001 0.000 0.219 372 A C 2.237 179.810 177.584 -0.019 0.000 1.176 372 A CA 1.718 53.747 52.037 -0.012 0.000 0.631 372 A CB -0.534 18.464 19.000 -0.003 0.000 0.814 372 A HN 0.394 nan 8.150 nan 0.000 0.446 373 M N -1.631 117.947 119.600 -0.037 0.000 2.630 373 M HA 0.092 4.572 4.480 0.001 0.000 0.254 373 M C 1.453 177.728 176.300 -0.041 0.000 1.092 373 M CA 1.058 56.328 55.300 -0.050 0.000 1.087 373 M CB 0.152 32.708 32.600 -0.074 0.000 1.453 373 M HN 0.654 nan 8.290 nan 0.000 0.509 374 G N -0.464 108.319 108.800 -0.028 0.000 2.296 374 G HA2 -0.087 3.873 3.960 0.001 0.000 0.188 374 G HA3 -0.087 3.873 3.960 0.001 0.000 0.188 374 G C 0.169 175.052 174.900 -0.028 0.000 1.000 374 G CA -0.272 44.814 45.100 -0.023 0.000 0.672 374 G HN 0.614 nan 8.290 nan 0.000 0.483 375 A N 0.731 123.524 122.820 -0.046 0.000 2.477 375 A HA 0.517 4.838 4.320 0.001 0.000 0.246 375 A C 1.121 178.688 177.584 -0.028 0.000 1.078 375 A CA 0.953 52.943 52.037 -0.078 0.000 0.770 375 A CB 0.241 19.186 19.000 -0.093 0.000 1.011 375 A HN 0.247 nan 8.150 nan 0.000 0.494 376 D N 0.687 121.071 120.400 -0.027 0.000 2.183 376 D HA 0.124 4.764 4.640 0.001 0.000 0.205 376 D C 0.089 176.533 176.300 0.239 0.000 0.962 376 D CA 1.532 55.620 54.000 0.146 0.000 0.849 376 D CB 0.069 41.045 40.800 0.294 0.000 0.978 376 D HN 0.625 nan 8.370 nan 0.000 0.488 377 F N -0.657 119.290 119.950 -0.005 0.000 2.685 377 F HA 0.594 5.121 4.527 0.001 0.000 0.315 377 F C -1.292 174.495 175.800 -0.022 0.000 1.126 377 F CA -1.486 56.501 58.000 -0.022 0.000 0.950 377 F CB 0.969 39.946 39.000 -0.039 0.000 1.360 377 F HN -0.395 nan 8.300 nan 0.000 0.469 378 I N 2.555 123.229 120.570 0.173 0.000 2.509 378 I HA 0.462 4.633 4.170 0.001 0.000 0.293 378 I C -0.815 175.397 176.117 0.159 0.000 1.020 378 I CA -0.841 60.496 61.300 0.060 0.000 1.088 378 I CB 2.122 40.111 38.000 -0.019 0.000 1.267 378 I HN 0.748 nan 8.210 nan 0.000 0.430 379 M N 6.984 126.654 119.600 0.116 0.000 2.180 379 M HA 0.625 5.105 4.480 0.001 0.000 0.350 379 M C -1.919 174.472 176.300 0.151 0.000 1.125 379 M CA -0.443 54.961 55.300 0.173 0.000 1.031 379 M CB 1.060 33.731 32.600 0.118 0.000 1.623 379 M HN 0.441 nan 8.290 nan 0.000 0.451 380 L N 4.124 125.496 121.223 0.248 0.000 2.401 380 L HA 0.722 5.063 4.340 0.001 0.000 0.266 380 L C 0.441 177.480 176.870 0.282 0.000 0.991 380 L CA -0.245 54.711 54.840 0.193 0.000 0.818 380 L CB 2.030 44.111 42.059 0.036 0.000 1.321 380 L HN 0.854 nan 8.230 nan 0.000 0.413 381 G N 0.093 108.980 108.800 0.145 0.000 2.797 381 G HA2 0.032 3.992 3.960 0.001 0.000 0.211 381 G HA3 0.032 3.992 3.960 0.001 0.000 0.211 381 G C 1.269 176.001 174.900 -0.280 0.000 1.236 381 G CA 0.099 45.262 45.100 0.106 0.000 0.833 381 G HN 0.536 nan 8.290 nan 0.000 0.624 382 R N -0.648 119.582 120.500 -0.450 0.000 2.113 382 R HA -0.210 4.130 4.340 0.001 0.000 0.244 382 R C 2.200 178.167 176.300 -0.554 0.000 1.142 382 R CA 2.015 57.661 56.100 -0.755 0.000 0.953 382 R CB -0.688 29.418 30.300 -0.323 0.000 0.860 382 R HN 0.390 nan 8.270 nan 0.000 0.438 383 Y N 0.216 120.207 120.300 -0.516 0.000 2.114 383 Y HA -0.274 4.276 4.550 0.001 0.000 0.282 383 Y C 1.714 176.986 175.900 -1.047 0.000 1.165 383 Y CA 2.272 59.969 58.100 -0.673 0.000 1.148 383 Y CB -0.520 37.543 38.460 -0.663 0.000 0.972 383 Y HN 0.072 nan 8.280 nan 0.000 0.504 384 F N -0.965 118.638 119.950 -0.578 0.000 2.416 384 F HA 0.080 4.608 4.527 0.001 0.000 0.296 384 F C 2.485 177.887 175.800 -0.663 0.000 1.099 384 F CA 0.467 58.057 58.000 -0.683 0.000 1.427 384 F CB -0.600 38.330 39.000 -0.116 0.000 1.079 384 F HN 0.088 nan 8.300 nan 0.000 0.536 385 A N 0.652 123.217 122.820 -0.424 0.000 2.024 385 A HA -0.192 4.128 4.320 0.001 0.000 0.220 385 A C 2.103 179.503 177.584 -0.308 0.000 1.164 385 A CA 1.349 53.166 52.037 -0.367 0.000 0.643 385 A CB -0.623 17.976 19.000 -0.669 0.000 0.806 385 A HN 0.345 nan 8.150 nan 0.000 0.451 386 R N -1.577 118.612 120.500 -0.520 0.000 2.280 386 R HA 0.067 4.408 4.340 0.001 0.000 0.207 386 R C -0.432 175.784 176.300 -0.140 0.000 1.043 386 R CA 0.074 55.964 56.100 -0.350 0.000 1.006 386 R CB -0.123 29.881 30.300 -0.494 0.000 0.885 386 R HN 0.452 nan 8.270 nan 0.000 0.467 387 F N 0.684 120.582 119.950 -0.086 0.000 2.370 387 F HA 0.083 4.610 4.527 0.001 0.000 0.324 387 F C 1.779 177.646 175.800 0.111 0.000 1.116 387 F CA -1.647 56.320 58.000 -0.055 0.000 1.123 387 F CB 0.497 39.463 39.000 -0.056 0.000 1.238 387 F HN -0.190 nan 8.300 nan 0.000 0.536 388 E N 0.998 121.432 120.200 0.390 0.000 2.130 388 E HA -0.240 4.110 4.350 0.001 0.000 0.196 388 E C 1.404 178.124 176.600 0.201 0.000 0.998 388 E CA 1.830 58.438 56.400 0.347 0.000 0.806 388 E CB -0.057 29.801 29.700 0.263 0.000 0.738 388 E HN 0.623 nan 8.360 nan 0.000 0.459 389 E N 0.196 120.501 120.200 0.175 0.000 2.418 389 E HA -0.003 4.347 4.350 0.001 0.000 0.197 389 E C 0.338 176.995 176.600 0.096 0.000 1.026 389 E CA 0.631 57.094 56.400 0.105 0.000 0.862 389 E CB -0.101 29.638 29.700 0.064 0.000 0.799 389 E HN 0.281 nan 8.360 nan 0.000 0.518 390 S N 1.126 116.900 115.700 0.124 0.000 2.562 390 S HA 0.076 4.547 4.470 0.001 0.000 0.281 390 S C -1.557 173.079 174.600 0.061 0.000 1.333 390 S CA -1.098 57.142 58.200 0.067 0.000 1.052 390 S CB 0.879 64.100 63.200 0.035 0.000 0.884 390 S HN -0.055 nan 8.310 nan 0.000 0.506 391 P HA 0.039 nan 4.420 nan 0.000 0.244 391 P C 0.581 177.931 177.300 0.084 0.000 1.211 391 P CA 0.351 63.490 63.100 0.065 0.000 0.760 391 P CB -0.641 31.105 31.700 0.077 0.000 0.961 392 T N -2.423 112.178 114.554 0.077 0.000 2.912 392 T HA 0.475 4.825 4.350 0.001 0.000 0.280 392 T C 0.336 175.118 174.700 0.137 0.000 0.989 392 T CA -0.873 61.314 62.100 0.145 0.000 0.995 392 T CB 1.333 70.292 68.868 0.152 0.000 1.077 392 T HN -0.100 nan 8.240 nan 0.000 0.531 393 R N 0.522 121.119 120.500 0.162 0.000 2.490 393 R HA 0.409 4.750 4.340 0.001 0.000 0.278 393 R C 0.103 176.463 176.300 0.101 0.000 1.069 393 R CA -0.600 55.568 56.100 0.113 0.000 1.080 393 R CB 0.640 31.007 30.300 0.112 0.000 1.030 393 R HN 0.537 nan 8.270 nan 0.000 0.491 394 K N 1.577 121.993 120.400 0.027 0.000 2.201 394 K HA 0.351 4.672 4.320 0.001 0.000 0.278 394 K C -0.877 175.718 176.600 -0.009 0.000 1.027 394 K CA -0.391 55.879 56.287 -0.029 0.000 0.909 394 K CB 1.463 33.850 32.500 -0.188 0.000 1.062 394 K HN 0.197 nan 8.250 nan 0.000 0.465 395 V N 2.054 121.972 119.914 0.005 0.000 2.789 395 V HA 0.218 4.338 4.120 0.001 0.000 0.311 395 V C -0.363 175.674 176.094 -0.096 0.000 1.073 395 V CA -0.942 61.340 62.300 -0.030 0.000 0.921 395 V CB 2.340 34.166 31.823 0.005 0.000 1.009 395 V HN 0.743 nan 8.190 nan 0.000 0.426 396 T N 5.372 119.867 114.554 -0.099 0.000 2.743 396 T HA 0.623 4.973 4.350 0.001 0.000 0.293 396 T C -0.462 174.150 174.700 -0.147 0.000 0.945 396 T CA 0.090 62.130 62.100 -0.099 0.000 1.030 396 T CB 0.294 69.124 68.868 -0.063 0.000 0.912 396 T HN 0.317 nan 8.240 nan 0.000 0.483 397 I N 4.613 125.083 120.570 -0.167 0.000 2.420 397 I HA 0.324 4.495 4.170 0.001 0.000 0.282 397 I C 0.146 176.206 176.117 -0.094 0.000 1.019 397 I CA -0.394 60.794 61.300 -0.185 0.000 1.130 397 I CB 0.828 38.639 38.000 -0.315 0.000 1.262 397 I HN 0.550 nan 8.210 nan 0.000 0.454 398 N N 5.299 123.960 118.700 -0.065 0.000 2.746 398 N HA -0.186 4.554 4.740 0.001 0.000 0.250 398 N C 1.059 176.555 175.510 -0.023 0.000 1.055 398 N CA 1.050 54.080 53.050 -0.034 0.000 0.699 398 N CB -0.934 37.539 38.487 -0.023 0.000 0.919 398 N HN 1.153 nan 8.380 nan 0.000 0.548 399 G N -1.674 107.110 108.800 -0.025 0.000 2.189 399 G HA2 -0.334 3.627 3.960 0.001 0.000 0.267 399 G HA3 -0.334 3.627 3.960 0.001 0.000 0.267 399 G C -0.019 174.877 174.900 -0.008 0.000 0.975 399 G CA 0.760 45.852 45.100 -0.014 0.000 0.644 399 G HN 0.588 nan 8.290 nan 0.000 0.537 400 S N -0.404 115.287 115.700 -0.015 0.000 2.454 400 S HA 0.594 5.065 4.470 0.001 0.000 0.306 400 S C 0.270 174.867 174.600 -0.004 0.000 1.100 400 S CA -0.566 57.636 58.200 0.002 0.000 1.087 400 S CB 2.445 65.650 63.200 0.008 0.000 1.019 400 S HN 0.606 nan 8.310 nan 0.000 0.480 401 V N 5.661 125.592 119.914 0.028 0.000 2.470 401 V HA 0.277 4.397 4.120 0.001 0.000 0.276 401 V C 0.176 176.315 176.094 0.074 0.000 1.040 401 V CA 0.219 62.532 62.300 0.022 0.000 1.008 401 V CB 0.075 31.915 31.823 0.029 0.000 0.990 401 V HN 0.768 nan 8.190 nan 0.000 0.477 402 M N 4.565 124.187 119.600 0.036 0.000 2.796 402 M HA 0.662 5.143 4.480 0.001 0.000 0.303 402 M C -0.626 175.759 176.300 0.141 0.000 1.240 402 M CA -0.904 54.457 55.300 0.102 0.000 0.831 402 M CB 2.226 34.859 32.600 0.055 0.000 1.750 402 M HN 0.394 nan 8.290 nan 0.000 0.484 403 K N 0.646 121.174 120.400 0.214 0.000 2.426 403 K HA 0.473 4.794 4.320 0.001 0.000 0.251 403 K C -0.984 175.797 176.600 0.302 0.000 0.941 403 K CA -0.698 55.720 56.287 0.218 0.000 0.808 403 K CB 2.563 35.168 32.500 0.174 0.000 1.265 403 K HN 0.583 nan 8.250 nan 0.000 0.432 404 E N 1.260 121.646 120.200 0.309 0.000 2.373 404 E HA 0.083 4.434 4.350 0.001 0.000 0.267 404 E C -1.183 175.592 176.600 0.292 0.000 1.032 404 E CA 0.069 56.664 56.400 0.324 0.000 0.889 404 E CB 0.546 30.500 29.700 0.423 0.000 0.984 404 E HN 0.308 nan 8.360 nan 0.000 0.425 405 Y N 3.290 123.646 120.300 0.093 0.000 2.358 405 Y HA 0.332 4.883 4.550 0.001 0.000 0.324 405 Y C -2.097 173.835 175.900 0.053 0.000 1.123 405 Y CA -1.274 56.777 58.100 -0.081 0.000 1.067 405 Y CB 0.658 39.069 38.460 -0.082 0.000 1.230 405 Y HN 0.617 nan 8.280 nan 0.000 0.429 406 W N 4.484 125.487 121.300 -0.495 0.000 2.950 406 W HA 0.906 5.567 4.660 0.000 0.000 0.340 406 W C -0.471 175.744 176.519 -0.507 0.000 1.139 406 W CA -1.721 55.347 57.345 -0.461 0.000 1.188 406 W CB 0.958 30.265 29.460 -0.254 0.000 1.426 406 W HN 0.894 nan 8.180 nan 0.000 0.531 407 G N 1.316 110.023 108.800 -0.155 0.000 2.503 407 G HA2 0.176 4.136 3.960 0.001 0.000 0.257 407 G HA3 0.176 4.136 3.960 0.001 0.000 0.257 407 G C 0.425 175.358 174.900 0.055 0.000 1.214 407 G CA -0.487 44.539 45.100 -0.123 0.000 0.839 407 G HN 0.689 nan 8.290 nan 0.000 0.559 408 E N 1.281 121.518 120.200 0.062 0.000 2.338 408 E HA -0.066 4.285 4.350 0.001 0.000 0.197 408 E C 2.226 178.961 176.600 0.224 0.000 1.007 408 E CA 0.845 57.330 56.400 0.142 0.000 0.849 408 E CB 0.111 29.878 29.700 0.110 0.000 0.774 408 E HN 0.543 nan 8.360 nan 0.000 0.506 409 G N 1.256 110.171 108.800 0.191 0.000 3.141 409 G HA2 -0.020 3.941 3.960 0.001 0.000 0.218 409 G HA3 -0.020 3.941 3.960 0.001 0.000 0.218 409 G C 0.593 175.444 174.900 -0.083 0.000 1.170 409 G CA 0.153 45.225 45.100 -0.046 0.000 0.769 409 G HN 0.194 nan 8.290 nan 0.000 0.546 410 S N -0.277 115.431 115.700 0.013 0.000 2.632 410 S HA 0.370 4.841 4.470 0.001 0.000 0.271 410 S C 1.708 176.296 174.600 -0.020 0.000 1.260 410 S CA 0.432 58.627 58.200 -0.009 0.000 1.010 410 S CB 1.718 64.928 63.200 0.017 0.000 0.965 410 S HN 0.353 nan 8.310 nan 0.000 0.534 411 S N 0.994 116.665 115.700 -0.048 0.000 2.442 411 S HA -0.191 4.280 4.470 0.001 0.000 0.236 411 S C 1.787 176.337 174.600 -0.084 0.000 1.007 411 S CA 0.886 59.054 58.200 -0.053 0.000 0.965 411 S CB -0.613 62.553 63.200 -0.057 0.000 0.773 411 S HN 0.825 nan 8.310 nan 0.000 0.504 412 R N 1.375 121.783 120.500 -0.154 0.000 2.075 412 R HA 0.051 4.392 4.340 0.001 0.000 0.232 412 R C 2.374 178.542 176.300 -0.220 0.000 1.126 412 R CA 1.311 57.228 56.100 -0.304 0.000 0.963 412 R CB -0.638 29.288 30.300 -0.624 0.000 0.858 412 R HN 0.514 nan 8.270 nan 0.000 0.435 413 A N 0.274 123.074 122.820 -0.033 0.000 1.903 413 A HA 0.062 4.382 4.320 0.001 0.000 0.213 413 A C 0.902 178.552 177.584 0.110 0.000 1.185 413 A CA 0.822 52.948 52.037 0.147 0.000 0.628 413 A CB 0.012 19.195 19.000 0.305 0.000 0.830 413 A HN 0.466 nan 8.150 nan 0.000 0.446 414 R N -1.075 119.480 120.500 0.093 0.000 3.525 414 R HA -0.153 4.187 4.340 0.001 0.000 0.276 414 R C -0.362 176.047 176.300 0.182 0.000 1.116 414 R CA 0.604 56.782 56.100 0.130 0.000 0.745 414 R CB -2.046 28.328 30.300 0.123 0.000 1.185 414 R HN 0.529 nan 8.270 nan 0.000 0.454 415 N N 1.441 120.228 118.700 0.144 0.000 2.895 415 N HA -0.044 4.696 4.740 0.001 0.000 0.277 415 N C 1.177 176.741 175.510 0.090 0.000 1.185 415 N CA -0.305 52.777 53.050 0.053 0.000 1.106 415 N CB -0.004 38.525 38.487 0.070 0.000 1.422 415 N HN 0.474 nan 8.380 nan 0.000 0.521 416 W N 2.041 123.391 121.300 0.083 0.000 2.425 416 W HA -0.104 4.556 4.660 0.001 0.000 0.277 416 W C 0.554 177.103 176.519 0.050 0.000 1.231 416 W CA 0.122 57.509 57.345 0.070 0.000 1.248 416 W CB -0.498 28.955 29.460 -0.011 0.000 1.117 416 W HN 0.307 nan 8.180 nan 0.000 0.568 417 Q N 1.159 120.458 119.800 -0.836 0.000 2.135 417 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 417 Q C 2.389 178.187 176.000 -0.335 0.000 0.981 417 Q CA 2.382 57.733 55.803 -0.753 0.000 0.856 417 Q CB -0.717 27.500 28.738 -0.868 0.000 0.902 417 Q HN 0.329 nan 8.270 nan 0.000 0.425 418 R N -0.546 119.777 120.500 -0.296 0.000 2.152 418 R HA -0.147 4.194 4.340 0.001 0.000 0.232 418 R C 0.454 176.382 176.300 -0.621 0.000 1.117 418 R CA 1.159 56.997 56.100 -0.438 0.000 0.981 418 R CB 0.116 30.105 30.300 -0.519 0.000 0.870 418 R HN 0.348 nan 8.270 nan 0.000 0.451 419 Y N -0.483 119.787 120.300 -0.050 0.000 2.612 419 Y HA 0.229 4.779 4.550 0.001 0.000 0.250 419 Y C -0.355 175.539 175.900 -0.011 0.000 1.175 419 Y CA -1.082 57.002 58.100 -0.027 0.000 1.205 419 Y CB 0.203 38.630 38.460 -0.055 0.000 1.201 419 Y HN -0.020 nan 8.280 nan 0.000 0.532 420 D N 1.219 121.659 120.400 0.067 0.000 2.450 420 D HA 0.061 4.701 4.640 0.001 0.000 0.247 420 D C 0.152 176.444 176.300 -0.013 0.000 1.162 420 D CA 0.819 54.852 54.000 0.055 0.000 0.879 420 D CB 0.756 41.546 40.800 -0.017 0.000 1.163 420 D HN 0.286 nan 8.370 nan 0.000 0.472 421 L N 3.244 124.481 121.223 0.023 0.000 3.288 421 L HA 0.324 4.665 4.340 0.001 0.000 0.293 421 L C 1.369 178.306 176.870 0.111 0.000 1.294 421 L CA -0.122 54.776 54.840 0.097 0.000 1.006 421 L CB 0.318 42.450 42.059 0.123 0.000 1.407 421 L HN 0.784 nan 8.230 nan 0.000 0.592 422 G N -0.270 108.481 108.800 -0.082 0.000 2.148 422 G HA2 -0.248 3.712 3.960 0.001 0.000 0.254 422 G HA3 -0.248 3.712 3.960 0.001 0.000 0.254 422 G C 0.537 175.441 174.900 0.005 0.000 0.981 422 G CA 0.095 45.165 45.100 -0.050 0.000 0.670 422 G HN 0.544 nan 8.290 nan 0.000 0.528 423 G N -0.507 108.288 108.800 -0.008 0.000 2.630 423 G HA2 0.569 4.530 3.960 0.001 0.000 0.223 423 G HA3 0.569 4.530 3.960 0.001 0.000 0.223 423 G C 0.254 175.095 174.900 -0.097 0.000 1.434 423 G CA -0.411 44.673 45.100 -0.027 0.000 1.057 423 G HN 0.455 nan 8.290 nan 0.000 0.570 424 K N 0.381 120.698 120.400 -0.138 0.000 2.355 424 K HA 0.080 4.401 4.320 0.001 0.000 0.270 424 K C 0.300 176.616 176.600 -0.473 0.000 1.003 424 K CA 0.206 56.346 56.287 -0.245 0.000 0.957 424 K CB 0.762 33.140 32.500 -0.204 0.000 0.939 424 K HN 0.367 nan 8.250 nan 0.000 0.482 425 Q N 3.393 122.746 119.800 -0.744 0.000 3.047 425 Q HA -0.034 4.307 4.340 0.001 0.000 0.273 425 Q C -0.524 174.471 176.000 -1.674 0.000 1.243 425 Q CA 0.433 55.196 55.803 -1.733 0.000 0.929 425 Q CB -0.484 27.471 28.738 -1.305 0.000 1.721 425 Q HN 0.383 nan 8.270 nan 0.000 0.471 426 K N -1.330 118.469 120.400 -1.002 0.000 2.579 426 K HA 0.358 4.678 4.320 0.001 0.000 0.284 426 K C -1.428 175.072 176.600 -0.166 0.000 0.990 426 K CA -1.169 54.806 56.287 -0.520 0.000 0.880 426 K CB 0.860 33.160 32.500 -0.332 0.000 1.488 426 K HN -0.055 nan 8.250 nan 0.000 0.425 427 L N 2.500 123.696 121.223 -0.045 0.000 2.385 427 L HA 0.169 4.509 4.340 0.001 0.000 0.281 427 L C 0.877 177.641 176.870 -0.176 0.000 1.106 427 L CA 0.654 55.451 54.840 -0.072 0.000 0.856 427 L CB 0.889 42.921 42.059 -0.045 0.000 1.186 427 L HN 0.856 nan 8.230 nan 0.000 0.453 428 S N 4.813 120.328 115.700 -0.309 0.000 2.382 428 S HA 0.011 4.481 4.470 0.001 0.000 0.228 428 S C -0.090 174.432 174.600 -0.131 0.000 1.027 428 S CA 1.266 59.306 58.200 -0.267 0.000 0.991 428 S CB -0.302 62.676 63.200 -0.369 0.000 0.823 428 S HN 0.596 nan 8.310 nan 0.000 0.469 429 F N -1.073 118.842 119.950 -0.058 0.000 2.744 429 F HA 0.533 5.060 4.527 0.001 0.000 0.311 429 F C -1.056 174.672 175.800 -0.119 0.000 1.144 429 F CA -1.575 56.381 58.000 -0.072 0.000 0.938 429 F CB 0.660 39.625 39.000 -0.059 0.000 1.292 429 F HN -0.293 nan 8.300 nan 0.000 0.444 430 E N 0.961 121.240 120.200 0.131 0.000 2.373 430 E HA 0.200 4.550 4.350 0.001 0.000 0.267 430 E C -0.391 176.228 176.600 0.032 0.000 1.032 430 E CA -0.010 56.392 56.400 0.003 0.000 0.889 430 E CB 0.972 30.672 29.700 0.001 0.000 0.984 430 E HN 0.753 nan 8.360 nan 0.000 0.425 431 E N 0.941 121.058 120.200 -0.139 0.000 2.676 431 E HA 0.203 4.554 4.350 0.001 0.000 0.222 431 E C 0.072 176.639 176.600 -0.055 0.000 0.968 431 E CA -0.315 56.021 56.400 -0.106 0.000 1.090 431 E CB 1.432 30.948 29.700 -0.307 0.000 1.066 431 E HN 0.531 nan 8.360 nan 0.000 0.496 432 G N 0.911 109.680 108.800 -0.052 0.000 2.690 432 G HA2 0.530 4.490 3.960 0.001 0.000 0.291 432 G HA3 0.530 4.490 3.960 0.001 0.000 0.291 432 G C -0.833 174.055 174.900 -0.020 0.000 1.403 432 G CA -0.547 44.544 45.100 -0.016 0.000 0.864 432 G HN 0.033 nan 8.290 nan 0.000 0.480 433 V N -1.929 117.970 119.914 -0.025 0.000 3.103 433 V HA 0.847 4.967 4.120 0.001 0.000 0.318 433 V C -1.082 174.995 176.094 -0.029 0.000 1.114 433 V CA -1.085 61.199 62.300 -0.027 0.000 1.020 433 V CB 2.111 33.922 31.823 -0.020 0.000 1.085 433 V HN 0.621 nan 8.190 nan 0.000 0.446 434 D N 1.163 121.538 120.400 -0.041 0.000 2.193 434 D HA 0.743 5.384 4.640 0.001 0.000 0.244 434 D C -0.146 176.087 176.300 -0.111 0.000 1.064 434 D CA 0.545 54.515 54.000 -0.049 0.000 0.845 434 D CB 1.768 42.494 40.800 -0.125 0.000 1.148 434 D HN 1.208 nan 8.370 nan 0.000 0.464 435 S N 1.974 117.595 115.700 -0.133 0.000 2.790 435 S HA 0.626 5.096 4.470 0.001 0.000 0.292 435 S C -1.444 172.989 174.600 -0.279 0.000 1.197 435 S CA -0.845 57.246 58.200 -0.181 0.000 0.851 435 S CB 0.726 63.930 63.200 0.008 0.000 1.217 435 S HN 0.385 nan 8.310 nan 0.000 0.526 436 Y N -0.036 120.348 120.300 0.140 0.000 2.462 436 Y HA 0.691 5.242 4.550 0.001 0.000 0.346 436 Y C -0.130 175.839 175.900 0.115 0.000 0.976 436 Y CA -0.979 57.200 58.100 0.132 0.000 1.044 436 Y CB 2.331 40.847 38.460 0.093 0.000 1.230 436 Y HN 0.756 nan 8.280 nan 0.000 0.455 437 V N 0.056 120.124 119.914 0.257 0.000 2.914 437 V HA 0.727 4.847 4.120 0.001 0.000 0.314 437 V C -2.873 173.283 176.094 0.103 0.000 1.084 437 V CA -3.148 59.226 62.300 0.122 0.000 0.963 437 V CB 2.015 33.836 31.823 -0.003 0.000 1.025 437 V HN 0.528 nan 8.190 nan 0.000 0.432 438 P HA 0.074 nan 4.420 nan 0.000 0.268 438 P C -1.117 176.230 177.300 0.079 0.000 1.204 438 P CA 0.211 63.352 63.100 0.068 0.000 0.768 438 P CB 0.332 32.053 31.700 0.034 0.000 0.842 439 Y N 3.284 123.587 120.300 0.005 0.000 2.465 439 Y HA 0.287 4.837 4.550 0.001 0.000 0.331 439 Y C 0.937 176.853 175.900 0.025 0.000 1.102 439 Y CA -0.092 58.017 58.100 0.015 0.000 1.358 439 Y CB 0.521 38.998 38.460 0.028 0.000 1.213 439 Y HN 0.514 nan 8.280 nan 0.000 0.525 440 A N 4.324 126.861 122.820 -0.472 0.000 2.431 440 A HA 0.593 4.913 4.320 0.001 0.000 0.239 440 A C 1.154 178.446 177.584 -0.486 0.000 1.230 440 A CA 0.498 52.329 52.037 -0.342 0.000 0.928 440 A CB -0.719 18.236 19.000 -0.075 0.000 1.006 440 A HN 1.607 nan 8.150 nan 0.000 0.520 441 G N 0.132 108.301 108.800 -1.053 0.000 2.445 441 G HA2 -0.134 3.826 3.960 0.001 0.000 0.212 441 G HA3 -0.134 3.826 3.960 0.001 0.000 0.212 441 G C -0.547 174.190 174.900 -0.272 0.000 1.217 441 G CA -0.390 44.338 45.100 -0.619 0.000 1.002 441 G HN 0.393 nan 8.290 nan 0.000 0.574 442 K N 0.373 120.636 120.400 -0.230 0.000 2.218 442 K HA 0.430 4.750 4.320 0.001 0.000 0.276 442 K C 1.589 177.843 176.600 -0.577 0.000 1.022 442 K CA -0.127 56.012 56.287 -0.247 0.000 0.946 442 K CB 1.981 34.392 32.500 -0.149 0.000 1.000 442 K HN 0.516 nan 8.250 nan 0.000 0.468 443 L N 3.567 124.420 121.223 -0.618 0.000 2.012 443 L HA -0.261 4.079 4.340 0.001 0.000 0.210 443 L C 2.587 179.137 176.870 -0.533 0.000 1.073 443 L CA 1.825 56.115 54.840 -0.917 0.000 0.748 443 L CB -0.202 41.699 42.059 -0.263 0.000 0.891 443 L HN 0.698 nan 8.230 nan 0.000 0.431 444 K N -0.267 119.963 120.400 -0.283 0.000 2.034 444 K HA -0.270 4.050 4.320 0.001 0.000 0.214 444 K C 1.721 178.218 176.600 -0.173 0.000 1.051 444 K CA 2.338 58.523 56.287 -0.170 0.000 0.931 444 K CB -0.282 32.149 32.500 -0.115 0.000 0.715 444 K HN 0.472 nan 8.250 nan 0.000 0.446 445 D N 0.300 120.577 120.400 -0.204 0.000 2.117 445 D HA -0.150 4.491 4.640 0.001 0.000 0.197 445 D C 1.771 177.970 176.300 -0.168 0.000 0.987 445 D CA 0.934 54.838 54.000 -0.160 0.000 0.829 445 D CB -0.381 40.329 40.800 -0.150 0.000 0.961 445 D HN 0.341 nan 8.370 nan 0.000 0.460 446 N N 0.547 119.067 118.700 -0.300 0.000 2.106 446 N HA -0.090 4.650 4.740 0.001 0.000 0.188 446 N C 2.103 177.591 175.510 -0.037 0.000 1.029 446 N CA 0.546 53.465 53.050 -0.220 0.000 0.848 446 N CB -0.029 38.179 38.487 -0.465 0.000 1.007 446 N HN 0.039 nan 8.380 nan 0.000 0.423 447 V N 1.905 121.783 119.914 -0.060 0.000 2.407 447 V HA -0.202 3.919 4.120 0.001 0.000 0.248 447 V C 2.435 178.557 176.094 0.047 0.000 1.055 447 V CA 1.556 63.919 62.300 0.106 0.000 1.049 447 V CB -0.501 31.390 31.823 0.113 0.000 0.662 447 V HN 0.381 nan 8.190 nan 0.000 0.455 448 E N 0.390 120.585 120.200 -0.008 0.000 2.051 448 E HA -0.238 4.112 4.350 0.001 0.000 0.192 448 E C 2.243 178.844 176.600 0.003 0.000 0.991 448 E CA 1.480 57.876 56.400 -0.008 0.000 0.799 448 E CB -0.243 29.440 29.700 -0.028 0.000 0.748 448 E HN 0.553 nan 8.360 nan 0.000 0.449 449 A N 0.530 123.351 122.820 0.002 0.000 1.902 449 A HA -0.164 4.157 4.320 0.001 0.000 0.217 449 A C 2.397 180.001 177.584 0.033 0.000 1.181 449 A CA 1.852 53.896 52.037 0.012 0.000 0.623 449 A CB -0.624 18.381 19.000 0.008 0.000 0.818 449 A HN 0.303 nan 8.150 nan 0.000 0.443 450 S N 0.014 115.753 115.700 0.064 0.000 2.348 450 S HA -0.097 4.373 4.470 0.001 0.000 0.221 450 S C 1.788 176.397 174.600 0.016 0.000 1.033 450 S CA 1.544 59.779 58.200 0.058 0.000 1.010 450 S CB -0.491 62.762 63.200 0.088 0.000 0.891 450 S HN 0.509 nan 8.310 nan 0.000 0.442 451 L N 1.709 122.940 121.223 0.014 0.000 2.275 451 L HA -0.068 4.273 4.340 0.001 0.000 0.215 451 L C 2.003 178.875 176.870 0.004 0.000 1.119 451 L CA 0.617 55.458 54.840 0.002 0.000 0.790 451 L CB -0.664 41.399 42.059 0.007 0.000 0.919 451 L HN 0.270 nan 8.230 nan 0.000 0.443 452 N N 0.579 119.283 118.700 0.007 0.000 2.244 452 N HA -0.135 4.606 4.740 0.001 0.000 0.183 452 N C 1.736 177.250 175.510 0.006 0.000 1.016 452 N CA 1.102 54.154 53.050 0.004 0.000 0.866 452 N CB 0.008 38.496 38.487 0.003 0.000 0.980 452 N HN 0.395 nan 8.380 nan 0.000 0.430 453 K N 0.338 120.744 120.400 0.011 0.000 2.062 453 K HA 0.028 4.349 4.320 0.001 0.000 0.205 453 K C 2.006 178.615 176.600 0.015 0.000 1.051 453 K CA 0.602 56.898 56.287 0.015 0.000 0.941 453 K CB -0.039 32.478 32.500 0.028 0.000 0.719 453 K HN -0.068 nan 8.250 nan 0.000 0.440 454 V N 2.176 122.095 119.914 0.009 0.000 2.295 454 V HA -0.273 3.848 4.120 0.001 0.000 0.246 454 V C 2.064 178.161 176.094 0.005 0.000 1.049 454 V CA 1.772 64.074 62.300 0.004 0.000 1.024 454 V CB -0.409 31.406 31.823 -0.013 0.000 0.648 454 V HN 0.291 nan 8.190 nan 0.000 0.447 455 K N 0.034 120.436 120.400 0.002 0.000 2.057 455 K HA -0.141 4.179 4.320 0.001 0.000 0.207 455 K C 2.433 179.034 176.600 0.003 0.000 1.049 455 K CA 1.718 58.006 56.287 0.002 0.000 0.931 455 K CB -0.343 32.157 32.500 0.001 0.000 0.714 455 K HN 0.371 nan 8.250 nan 0.000 0.440 456 S N 0.445 116.147 115.700 0.003 0.000 2.356 456 S HA -0.128 4.342 4.470 0.001 0.000 0.223 456 S C 2.032 176.634 174.600 0.003 0.000 1.032 456 S CA 1.723 59.925 58.200 0.002 0.000 1.005 456 S CB -0.328 62.872 63.200 0.001 0.000 0.867 456 S HN 0.349 nan 8.310 nan 0.000 0.449 457 T N 2.485 117.044 114.554 0.008 0.000 2.746 457 T HA -0.002 4.349 4.350 0.001 0.000 0.267 457 T C 1.831 176.537 174.700 0.011 0.000 1.039 457 T CA 1.173 63.280 62.100 0.011 0.000 1.142 457 T CB -0.332 68.550 68.868 0.024 0.000 0.866 457 T HN 0.310 nan 8.240 nan 0.000 0.444 458 M N 0.497 120.102 119.600 0.010 0.000 2.149 458 M HA -0.134 4.346 4.480 0.001 0.000 0.261 458 M C 2.588 178.892 176.300 0.006 0.000 1.064 458 M CA 1.247 56.552 55.300 0.008 0.000 1.102 458 M CB -0.709 31.894 32.600 0.005 0.000 1.369 458 M HN 0.346 nan 8.290 nan 0.000 0.408 459 C N 0.342 119.644 119.300 0.004 0.000 2.440 459 C HA -0.114 4.347 4.460 0.001 0.000 0.278 459 C C 2.211 177.203 174.990 0.003 0.000 1.295 459 C CA 1.057 60.077 59.018 0.003 0.000 1.738 459 C CB -1.585 26.155 27.740 0.001 0.000 1.987 459 C HN 0.604 nan 8.230 nan 0.000 0.492 460 N N -0.164 118.538 118.700 0.003 0.000 2.223 460 N HA -0.133 4.607 4.740 0.001 0.000 0.185 460 N C 1.222 176.735 175.510 0.005 0.000 1.016 460 N CA 1.519 54.571 53.050 0.002 0.000 0.863 460 N CB -0.185 38.302 38.487 0.001 0.000 0.983 460 N HN 0.484 nan 8.380 nan 0.000 0.429 461 C N -0.219 119.086 119.300 0.008 0.000 2.626 461 C HA 0.331 4.791 4.460 0.001 0.000 0.266 461 C C 1.609 176.604 174.990 0.009 0.000 1.317 461 C CA 0.129 59.153 59.018 0.011 0.000 1.716 461 C CB -1.196 26.552 27.740 0.014 0.000 1.819 461 C HN 0.660 nan 8.230 nan 0.000 0.578 462 G N 0.710 109.514 108.800 0.007 0.000 2.160 462 G HA2 0.020 3.981 3.960 0.001 0.000 0.244 462 G HA3 0.020 3.981 3.960 0.001 0.000 0.244 462 G C -0.074 174.829 174.900 0.005 0.000 1.022 462 G CA 0.279 45.382 45.100 0.006 0.000 0.741 462 G HN 0.970 nan 8.290 nan 0.000 0.508 463 A N -0.653 122.171 122.820 0.005 0.000 2.342 463 A HA 0.845 5.165 4.320 0.001 0.000 0.323 463 A C 0.810 178.396 177.584 0.002 0.000 1.125 463 A CA -0.502 51.538 52.037 0.005 0.000 0.785 463 A CB 1.125 20.129 19.000 0.006 0.000 1.221 463 A HN 0.623 nan 8.150 nan 0.000 0.463 464 L N 1.468 122.691 121.223 0.001 0.000 2.693 464 L HA 0.204 4.545 4.340 0.001 0.000 0.235 464 L C 0.746 177.615 176.870 -0.003 0.000 1.127 464 L CA 0.705 55.544 54.840 -0.001 0.000 0.914 464 L CB 0.291 42.349 42.059 -0.003 0.000 1.193 464 L HN 0.920 nan 8.230 nan 0.000 0.502 465 T N -5.272 109.281 114.554 -0.003 0.000 2.843 465 T HA 0.416 4.767 4.350 0.001 0.000 0.302 465 T C 0.903 175.603 174.700 0.000 0.000 1.232 465 T CA -0.658 61.439 62.100 -0.004 0.000 1.009 465 T CB 1.640 70.502 68.868 -0.010 0.000 1.254 465 T HN -0.111 nan 8.240 nan 0.000 0.504 466 I N 0.782 121.354 120.570 0.003 0.000 2.226 466 I HA 0.005 4.176 4.170 0.001 0.000 0.245 466 I C -0.864 175.259 176.117 0.010 0.000 1.100 466 I CA 0.730 62.036 61.300 0.011 0.000 1.374 466 I CB -1.014 37.000 38.000 0.023 0.000 1.057 466 I HN 0.512 nan 8.210 nan 0.000 0.413 467 P HA -0.176 nan 4.420 nan 0.000 0.216 467 P C 1.573 178.874 177.300 0.002 0.000 1.150 467 P CA 1.328 64.426 63.100 -0.004 0.000 0.837 467 P CB -0.029 31.654 31.700 -0.029 0.000 0.786 468 Q N -1.025 118.776 119.800 0.001 0.000 2.084 468 Q HA -0.170 4.170 4.340 0.001 0.000 0.202 468 Q C 2.077 178.082 176.000 0.009 0.000 0.978 468 Q CA 1.144 56.950 55.803 0.005 0.000 0.844 468 Q CB -0.801 27.939 28.738 0.003 0.000 0.898 468 Q HN 0.179 nan 8.270 nan 0.000 0.426 469 L N 1.059 122.286 121.223 0.008 0.000 2.046 469 L HA -0.228 4.113 4.340 0.001 0.000 0.208 469 L C 2.040 178.917 176.870 0.012 0.000 1.077 469 L CA 1.820 56.666 54.840 0.010 0.000 0.747 469 L CB -0.348 41.716 42.059 0.008 0.000 0.896 469 L HN 0.170 nan 8.230 nan 0.000 0.432 470 Q N -1.426 118.381 119.800 0.013 0.000 2.226 470 Q HA -0.169 4.172 4.340 0.001 0.000 0.204 470 Q C 2.340 178.351 176.000 0.018 0.000 0.975 470 Q CA 1.485 57.297 55.803 0.015 0.000 0.866 470 Q CB -0.183 28.568 28.738 0.022 0.000 0.915 470 Q HN 0.628 nan 8.270 nan 0.000 0.440 471 S N 0.454 116.165 115.700 0.018 0.000 2.404 471 S HA -0.020 4.451 4.470 0.001 0.000 0.223 471 S C 1.608 176.220 174.600 0.020 0.000 1.040 471 S CA 0.609 58.822 58.200 0.021 0.000 0.957 471 S CB 0.211 63.424 63.200 0.021 0.000 0.826 471 S HN 0.192 nan 8.310 nan 0.000 0.491 472 K N 1.208 121.618 120.400 0.017 0.000 2.361 472 K HA 0.340 4.660 4.320 0.001 0.000 0.196 472 K C 0.726 177.337 176.600 0.018 0.000 1.039 472 K CA 0.333 56.630 56.287 0.017 0.000 1.001 472 K CB -0.046 32.462 32.500 0.014 0.000 0.795 472 K HN 0.397 nan 8.250 nan 0.000 0.495 473 A N 2.427 125.258 122.820 0.019 0.000 2.565 473 A HA -0.021 4.300 4.320 0.001 0.000 0.237 473 A C -0.389 177.211 177.584 0.027 0.000 1.053 473 A CA 0.538 52.589 52.037 0.022 0.000 0.755 473 A CB 0.060 19.072 19.000 0.020 0.000 0.980 473 A HN 0.148 nan 8.150 nan 0.000 0.506 474 K N 2.368 122.788 120.400 0.033 0.000 2.425 474 K HA 0.532 4.852 4.320 0.001 0.000 0.259 474 K C -1.316 175.317 176.600 0.055 0.000 0.978 474 K CA 0.044 56.353 56.287 0.038 0.000 0.883 474 K CB 1.469 33.988 32.500 0.031 0.000 1.110 474 K HN 0.646 nan 8.250 nan 0.000 0.436 475 I N 1.790 122.402 120.570 0.071 0.000 2.389 475 I HA 0.233 4.404 4.170 0.001 0.000 0.288 475 I C 0.047 176.254 176.117 0.149 0.000 0.999 475 I CA -0.680 60.692 61.300 0.119 0.000 1.129 475 I CB 2.061 40.126 38.000 0.109 0.000 1.288 475 I HN 0.435 nan 8.210 nan 0.000 0.444 476 T N 6.510 121.155 114.554 0.152 0.000 2.908 476 T HA 0.630 4.980 4.350 0.001 0.000 0.290 476 T C -0.417 174.291 174.700 0.012 0.000 1.034 476 T CA -0.453 61.694 62.100 0.078 0.000 1.010 476 T CB 1.140 70.025 68.868 0.028 0.000 1.068 476 T HN 0.340 nan 8.240 nan 0.000 0.481 477 L N 3.179 124.307 121.223 -0.160 0.000 2.439 477 L HA 0.643 4.984 4.340 0.001 0.000 0.261 477 L C -0.544 176.198 176.870 -0.214 0.000 1.153 477 L CA -0.730 53.864 54.840 -0.409 0.000 0.808 477 L CB 1.444 43.196 42.059 -0.512 0.000 1.126 477 L HN 0.376 nan 8.230 nan 0.000 0.460 478 V N 0.617 120.407 119.914 -0.205 0.000 2.588 478 V HA 0.272 4.393 4.120 0.001 0.000 0.304 478 V C 0.044 176.089 176.094 -0.081 0.000 1.042 478 V CA -0.803 61.438 62.300 -0.098 0.000 0.877 478 V CB 1.849 33.646 31.823 -0.043 0.000 0.996 478 V HN 0.902 nan 8.190 nan 0.000 0.425 479 S N 2.684 118.350 115.700 -0.056 0.000 2.584 479 S HA 0.105 4.575 4.470 0.001 0.000 0.270 479 S C 1.533 176.120 174.600 -0.022 0.000 1.346 479 S CA 0.210 58.387 58.200 -0.038 0.000 1.018 479 S CB 1.181 64.362 63.200 -0.032 0.000 0.899 479 S HN 1.211 nan 8.310 nan 0.000 0.542 480 S N 1.337 117.031 115.700 -0.010 0.000 2.399 480 S HA -0.120 4.350 4.470 0.001 0.000 0.231 480 S C 1.651 176.246 174.600 -0.008 0.000 1.022 480 S CA 1.119 59.320 58.200 0.002 0.000 0.983 480 S CB -1.063 62.142 63.200 0.008 0.000 0.803 480 S HN 0.625 nan 8.310 nan 0.000 0.480 481 V N 1.886 121.788 119.914 -0.019 0.000 2.427 481 V HA -0.090 4.030 4.120 0.001 0.000 0.248 481 V C 2.794 178.861 176.094 -0.045 0.000 1.051 481 V CA 1.895 64.174 62.300 -0.034 0.000 1.048 481 V CB -1.033 30.768 31.823 -0.036 0.000 0.666 481 V HN 0.544 nan 8.190 nan 0.000 0.456 482 S N -0.054 115.625 115.700 -0.036 0.000 2.402 482 S HA -0.067 4.403 4.470 0.001 0.000 0.229 482 S C 1.932 176.516 174.600 -0.027 0.000 1.021 482 S CA 1.011 59.189 58.200 -0.037 0.000 0.974 482 S CB -0.200 62.982 63.200 -0.031 0.000 0.800 482 S HN 0.379 nan 8.310 nan 0.000 0.484 483 I N 1.342 121.905 120.570 -0.012 0.000 2.226 483 I HA -0.101 4.069 4.170 0.001 0.000 0.245 483 I C 2.276 178.395 176.117 0.002 0.000 1.100 483 I CA 1.045 62.350 61.300 0.008 0.000 1.374 483 I CB -1.439 36.580 38.000 0.033 0.000 1.057 483 I HN 0.151 nan 8.210 nan 0.000 0.413 484 V N 0.941 120.848 119.914 -0.013 0.000 2.332 484 V HA -0.284 3.836 4.120 0.001 0.000 0.248 484 V C 2.564 178.634 176.094 -0.040 0.000 1.055 484 V CA 2.064 64.352 62.300 -0.020 0.000 1.038 484 V CB -0.714 31.082 31.823 -0.044 0.000 0.651 484 V HN 0.487 nan 8.190 nan 0.000 0.450 485 E N 0.354 120.496 120.200 -0.097 0.000 2.204 485 E HA -0.162 4.188 4.350 0.001 0.000 0.195 485 E C 2.199 178.840 176.600 0.069 0.000 0.990 485 E CA 1.181 57.503 56.400 -0.131 0.000 0.821 485 E CB -0.360 29.259 29.700 -0.135 0.000 0.750 485 E HN 0.594 nan 8.360 nan 0.000 0.477 486 G N 0.489 109.305 108.800 0.026 0.000 2.443 486 G HA2 -0.050 3.910 3.960 0.001 0.000 0.219 486 G HA3 -0.050 3.910 3.960 0.001 0.000 0.219 486 G C 0.719 175.628 174.900 0.016 0.000 1.131 486 G CA 0.526 45.632 45.100 0.010 0.000 0.775 486 G HN 0.356 nan 8.290 nan 0.000 0.547 487 G N -0.744 108.085 108.800 0.048 0.000 2.557 487 G HA2 0.577 4.537 3.960 0.001 0.000 0.302 487 G HA3 0.577 4.537 3.960 0.001 0.000 0.302 487 G C 0.003 174.943 174.900 0.067 0.000 1.311 487 G CA -0.022 45.094 45.100 0.027 0.000 1.030 487 G HN 0.491 nan 8.290 nan 0.000 0.509 488 A N -0.238 122.583 122.820 0.003 0.000 2.462 488 A HA 0.583 4.904 4.320 0.001 0.000 0.243 488 A C -0.003 177.590 177.584 0.016 0.000 1.076 488 A CA 0.254 52.257 52.037 -0.057 0.000 0.773 488 A CB -0.257 18.709 19.000 -0.057 0.000 1.010 488 A HN 1.391 nan 8.150 nan 0.000 0.493 489 H N -1.681 117.380 119.070 -0.015 0.000 3.046 489 H HA 0.555 5.111 4.556 0.000 0.000 0.363 489 H C -0.663 174.660 175.328 -0.008 0.000 1.203 489 H CA -0.540 55.502 56.048 -0.010 0.000 1.169 489 H CB 0.880 30.636 29.762 -0.010 0.000 1.851 489 H HN 0.608 nan 8.280 nan 0.000 0.546 490 D N 0.045 120.525 120.400 0.133 0.000 2.945 490 D HA -0.140 4.500 4.640 0.001 0.000 0.225 490 D C -0.347 175.959 176.300 0.011 0.000 1.158 490 D CA 1.420 55.470 54.000 0.083 0.000 0.805 490 D CB -1.372 39.519 40.800 0.152 0.000 1.098 490 D HN 0.621 nan 8.370 nan 0.000 0.426 491 V N -3.238 116.669 119.914 -0.012 0.000 3.087 491 V HA 0.640 4.760 4.120 0.001 0.000 0.306 491 V C -0.078 176.007 176.094 -0.015 0.000 1.187 491 V CA -1.147 61.136 62.300 -0.027 0.000 0.999 491 V CB 2.836 34.623 31.823 -0.061 0.000 1.049 491 V HN 0.004 nan 8.190 nan 0.000 0.431 492 I N 2.850 123.413 120.570 -0.013 0.000 2.297 492 I HA 0.325 4.495 4.170 0.001 0.000 0.291 492 I C -0.089 176.020 176.117 -0.012 0.000 1.033 492 I CA -0.799 60.496 61.300 -0.007 0.000 1.253 492 I CB 1.633 39.631 38.000 -0.003 0.000 1.396 492 I HN 0.501 nan 8.210 nan 0.000 0.476 493 V N 7.576 127.483 119.914 -0.012 0.000 2.485 493 V HA 0.007 4.127 4.120 0.001 0.000 0.287 493 V C 0.717 176.806 176.094 -0.009 0.000 1.022 493 V CA 0.017 62.308 62.300 -0.014 0.000 1.067 493 V CB 0.482 32.297 31.823 -0.013 0.000 0.967 493 V HN 0.705 nan 8.190 nan 0.000 0.479 494 K N 0.000 120.393 120.400 -0.011 0.000 2.780 494 K HA 0.000 4.320 4.320 0.001 0.000 0.191 494 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 494 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 494 K HN 0.000 nan 8.250 nan 0.000 0.543