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 2dt0_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPKLK TLLSVGGWNF GPERFSKIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT ALVKEMKAEF AREAQAGTER DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFRGNSDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GRSFTLASSK DATA SEQUENCE TDVGAPISGP GIPGRFTKEK GILAYYEIcD FLHGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA RV 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.892 175.900 -0.013 0.000 1.272 1 Y CA 0.000 58.094 58.100 -0.009 0.000 1.940 1 Y CB 0.000 38.459 38.460 -0.003 0.000 1.050 2 K N 2.664 123.141 120.400 0.128 0.000 2.159 2 K HA 0.647 4.971 4.320 0.006 0.000 0.266 2 K C -1.222 175.390 176.600 0.020 0.000 0.975 2 K CA -0.786 55.511 56.287 0.017 0.000 0.865 2 K CB 1.731 34.111 32.500 -0.201 0.000 1.087 2 K HN 0.515 nan 8.250 nan 0.000 0.446 3 L N 5.450 126.697 121.223 0.039 0.000 2.384 3 L HA 0.403 4.747 4.340 0.006 0.000 0.261 3 L C -1.257 175.629 176.870 0.027 0.000 1.024 3 L CA -0.731 54.128 54.840 0.032 0.000 0.899 3 L CB 0.673 42.755 42.059 0.038 0.000 1.243 3 L HN 0.607 nan 8.230 nan 0.000 0.449 4 I N 3.317 123.875 120.570 -0.020 0.000 2.325 4 I HA 0.224 4.398 4.170 0.006 0.000 0.291 4 I C -0.310 175.835 176.117 0.047 0.000 1.019 4 I CA 0.022 61.309 61.300 -0.022 0.000 1.302 4 I CB 0.916 38.850 38.000 -0.110 0.000 1.401 4 I HN 0.480 nan 8.210 nan 0.000 0.485 5 c N 5.961 124.567 118.600 0.010 0.000 2.369 5 c HA 0.475 5.048 4.570 0.006 0.000 0.322 5 c C -0.238 173.829 174.090 -0.037 0.000 1.258 5 c CA -1.120 55.227 56.329 0.031 0.000 1.487 5 c CB 0.138 42.645 42.510 -0.005 0.000 2.165 5 c HN 0.505 nan 8.230 nan 0.000 0.483 6 Y N 1.248 121.558 120.300 0.016 0.000 2.301 6 Y HA 0.439 4.992 4.550 0.006 0.000 0.325 6 Y C -0.000 175.722 175.900 -0.296 0.000 1.203 6 Y CA 0.189 58.213 58.100 -0.128 0.000 1.255 6 Y CB 0.609 38.940 38.460 -0.214 0.000 1.232 6 Y HN 0.717 nan 8.280 nan 0.000 0.501 7 Y N 2.453 122.570 120.300 -0.305 0.000 2.361 7 Y HA 0.449 5.003 4.550 0.006 0.000 0.337 7 Y C -0.561 174.894 175.900 -0.741 0.000 0.965 7 Y CA -1.199 56.615 58.100 -0.476 0.000 1.091 7 Y CB 1.306 39.564 38.460 -0.337 0.000 1.182 7 Y HN 0.643 nan 8.280 nan 0.000 0.450 8 T N 1.456 114.943 114.554 -1.779 0.000 2.829 8 T HA 0.314 4.668 4.350 0.006 0.000 0.282 8 T C 0.745 174.273 174.700 -1.954 0.000 0.990 8 T CA -0.366 60.591 62.100 -1.904 0.000 1.028 8 T CB 1.644 69.069 68.868 -2.406 0.000 0.951 8 T HN 0.677 nan 8.240 nan 0.000 0.460 9 S N 1.234 116.157 115.700 -1.295 0.000 2.368 9 S HA -0.080 4.394 4.470 0.006 0.000 0.225 9 S C 1.418 175.690 174.600 -0.548 0.000 1.030 9 S CA 1.634 59.408 58.200 -0.710 0.000 0.999 9 S CB -0.553 62.531 63.200 -0.193 0.000 0.844 9 S HN 1.011 nan 8.310 nan 0.000 0.459 10 W N 2.564 123.637 121.300 -0.378 0.000 2.961 10 W HA 0.119 4.783 4.660 0.006 0.000 0.240 10 W C 1.659 177.994 176.519 -0.307 0.000 1.305 10 W CA 0.524 57.732 57.345 -0.229 0.000 1.465 10 W CB -0.994 28.475 29.460 0.015 0.000 1.135 10 W HN 0.258 nan 8.180 nan 0.000 0.688 11 S N 0.752 115.982 115.700 -0.782 0.000 2.561 11 S HA -0.212 4.262 4.470 0.006 0.000 0.225 11 S C 1.720 176.033 174.600 -0.479 0.000 0.977 11 S CA 0.861 58.714 58.200 -0.579 0.000 0.926 11 S CB -0.758 61.984 63.200 -0.764 0.000 0.769 11 S HN 0.724 nan 8.310 nan 0.000 0.533 12 Q N -0.199 119.186 119.800 -0.693 0.000 2.297 12 Q HA -0.036 4.308 4.340 0.006 0.000 0.204 12 Q C 0.915 176.689 176.000 -0.376 0.000 0.962 12 Q CA 0.935 56.221 55.803 -0.863 0.000 0.879 12 Q CB -0.705 27.361 28.738 -1.120 0.000 0.947 12 Q HN 0.661 nan 8.270 nan 0.000 0.462 13 Y N 1.048 121.363 120.300 0.025 0.000 2.511 13 Y HA 0.261 4.814 4.550 0.006 0.000 0.279 13 Y C 0.403 176.396 175.900 0.154 0.000 1.157 13 Y CA -0.538 57.645 58.100 0.140 0.000 1.300 13 Y CB 0.059 38.627 38.460 0.181 0.000 1.052 13 Y HN -0.035 nan 8.280 nan 0.000 0.529 14 R N 2.343 122.988 120.500 0.241 0.000 2.537 14 R HA 0.078 4.422 4.340 0.006 0.000 0.280 14 R C 0.456 176.929 176.300 0.290 0.000 1.058 14 R CA -0.188 56.072 56.100 0.267 0.000 1.057 14 R CB 0.308 30.763 30.300 0.258 0.000 0.973 14 R HN 0.396 nan 8.270 nan 0.000 0.438 15 E N 1.894 122.277 120.200 0.306 0.000 2.390 15 E HA 0.291 4.645 4.350 0.006 0.000 0.261 15 E C 0.717 177.545 176.600 0.379 0.000 1.076 15 E CA -0.318 56.259 56.400 0.295 0.000 0.905 15 E CB 0.534 30.363 29.700 0.215 0.000 0.984 15 E HN 0.678 nan 8.360 nan 0.000 0.427 16 G N 2.883 111.861 108.800 0.298 0.000 2.614 16 G HA2 -0.406 3.558 3.960 0.006 0.000 0.303 16 G HA3 -0.406 3.558 3.960 0.006 0.000 0.303 16 G C 0.455 175.495 174.900 0.234 0.000 1.270 16 G CA 0.435 45.707 45.100 0.286 0.000 0.988 16 G HN 0.770 nan 8.290 nan 0.000 0.551 17 D N 1.157 121.657 120.400 0.166 0.000 2.221 17 D HA -0.058 4.586 4.640 0.006 0.000 0.204 17 D C 2.472 178.698 176.300 -0.123 0.000 0.982 17 D CA 1.708 55.696 54.000 -0.020 0.000 0.857 17 D CB -0.849 39.898 40.800 -0.090 0.000 0.934 17 D HN 0.664 nan 8.370 nan 0.000 0.475 18 G N 0.377 109.099 108.800 -0.129 0.000 2.470 18 G HA2 -0.169 3.795 3.960 0.006 0.000 0.220 18 G HA3 -0.169 3.795 3.960 0.006 0.000 0.220 18 G C 0.868 175.906 174.900 0.230 0.000 1.121 18 G CA 0.181 45.276 45.100 -0.009 0.000 0.766 18 G HN 0.226 nan 8.290 nan 0.000 0.553 19 S N -0.547 115.292 115.700 0.231 0.000 2.525 19 S HA 0.267 4.741 4.470 0.006 0.000 0.285 19 S C -0.244 174.446 174.600 0.150 0.000 1.283 19 S CA -0.429 57.880 58.200 0.182 0.000 1.072 19 S CB 0.075 63.452 63.200 0.296 0.000 0.867 19 S HN 0.334 nan 8.310 nan 0.000 0.492 20 C N 7.272 126.463 119.300 -0.182 0.000 2.431 20 C HA 0.780 5.244 4.460 0.006 0.000 0.321 20 C C -1.282 173.484 174.990 -0.374 0.000 1.202 20 C CA -0.838 57.972 59.018 -0.348 0.000 1.398 20 C CB -0.556 26.672 27.740 -0.854 0.000 2.047 20 C HN 0.844 nan 8.230 nan 0.000 0.465 21 F N 5.269 125.161 119.950 -0.096 0.000 2.538 21 F HA 0.491 5.022 4.527 0.006 0.000 0.325 21 F C -1.409 174.219 175.800 -0.286 0.000 1.066 21 F CA -2.093 55.848 58.000 -0.099 0.000 0.946 21 F CB 1.128 40.093 39.000 -0.058 0.000 1.199 21 F HN 0.348 nan 8.300 nan 0.000 0.473 22 P HA -0.235 nan 4.420 nan 0.000 0.218 22 P C 1.082 178.268 177.300 -0.190 0.000 1.150 22 P CA 1.633 64.441 63.100 -0.487 0.000 0.841 22 P CB 0.208 31.717 31.700 -0.319 0.000 0.784 23 D N -0.793 119.579 120.400 -0.047 0.000 2.170 23 D HA -0.215 4.429 4.640 0.006 0.000 0.193 23 D C 1.820 178.140 176.300 0.034 0.000 1.004 23 D CA 1.739 55.741 54.000 0.003 0.000 0.860 23 D CB -0.666 40.160 40.800 0.044 0.000 0.931 23 D HN 0.078 nan 8.370 nan 0.000 0.448 24 A N -0.378 122.481 122.820 0.065 0.000 2.168 24 A HA 0.076 4.400 4.320 0.006 0.000 0.215 24 A C 1.085 178.820 177.584 0.253 0.000 1.152 24 A CA 0.019 52.150 52.037 0.157 0.000 0.716 24 A CB -0.399 18.713 19.000 0.187 0.000 0.794 24 A HN 0.284 nan 8.150 nan 0.000 0.465 25 I N 1.418 122.060 120.570 0.121 0.000 2.533 25 I HA -0.001 4.173 4.170 0.006 0.000 0.284 25 I C -0.064 176.068 176.117 0.024 0.000 1.109 25 I CA -0.349 61.001 61.300 0.084 0.000 1.412 25 I CB 0.459 38.397 38.000 -0.103 0.000 1.396 25 I HN 0.106 nan 8.210 nan 0.000 0.543 26 D N 10.280 130.675 120.400 -0.009 0.000 2.358 26 D HA 0.062 4.706 4.640 0.006 0.000 0.258 26 D C -1.289 174.944 176.300 -0.111 0.000 1.223 26 D CA -2.082 51.920 54.000 0.003 0.000 0.886 26 D CB 1.186 41.994 40.800 0.013 0.000 1.120 26 D HN 0.288 nan 8.370 nan 0.000 0.482 27 P HA -0.106 nan 4.420 nan 0.000 0.225 27 P C 0.739 177.713 177.300 -0.544 0.000 1.148 27 P CA 0.760 63.630 63.100 -0.384 0.000 0.779 27 P CB 0.006 31.404 31.700 -0.503 0.000 0.780 28 F N -1.751 118.159 119.950 -0.066 0.000 2.695 28 F HA 0.148 4.678 4.527 0.006 0.000 0.303 28 F C 2.089 177.847 175.800 -0.069 0.000 1.091 28 F CA -0.279 57.687 58.000 -0.058 0.000 1.300 28 F CB -0.588 38.391 39.000 -0.034 0.000 1.071 28 F HN -0.208 nan 8.300 nan 0.000 0.578 29 L N -0.135 121.092 121.223 0.007 0.000 1.988 29 L HA -0.041 4.302 4.340 0.006 0.000 0.207 29 L C 0.887 177.720 176.870 -0.062 0.000 1.071 29 L CA 1.392 56.193 54.840 -0.066 0.000 0.744 29 L CB -0.337 41.569 42.059 -0.254 0.000 0.893 29 L HN 0.066 nan 8.230 nan 0.000 0.433 30 c N -1.438 117.103 118.600 -0.097 0.000 2.349 30 c HA 0.493 5.066 4.570 0.006 0.000 0.361 30 c C 1.961 176.024 174.090 -0.045 0.000 1.189 30 c CA 0.037 56.333 56.329 -0.055 0.000 2.155 30 c CB 1.241 43.712 42.510 -0.067 0.000 2.336 30 c HN 0.615 nan 8.230 nan 0.000 0.540 31 T N -2.184 112.379 114.554 0.014 0.000 3.044 31 T HA 0.113 4.467 4.350 0.006 0.000 0.255 31 T C 0.066 174.635 174.700 -0.217 0.000 1.073 31 T CA 0.890 62.970 62.100 -0.034 0.000 1.125 31 T CB -0.184 68.752 68.868 0.112 0.000 0.908 31 T HN 0.791 nan 8.240 nan 0.000 0.480 32 H N -0.294 118.729 119.070 -0.077 0.000 2.771 32 H HA 0.721 5.280 4.556 0.006 0.000 0.361 32 H C -1.428 173.866 175.328 -0.057 0.000 1.108 32 H CA -0.828 55.189 56.048 -0.052 0.000 1.201 32 H CB 2.096 31.831 29.762 -0.047 0.000 1.681 32 H HN 0.023 nan 8.280 nan 0.000 0.534 33 V N 4.431 124.381 119.914 0.060 0.000 2.487 33 V HA 0.390 4.513 4.120 0.006 0.000 0.298 33 V C -0.141 175.985 176.094 0.054 0.000 1.028 33 V CA -0.591 61.718 62.300 0.014 0.000 0.860 33 V CB 1.602 33.414 31.823 -0.017 0.000 0.991 33 V HN 0.633 nan 8.190 nan 0.000 0.427 34 I N 4.396 124.936 120.570 -0.051 0.000 2.378 34 I HA 0.388 4.561 4.170 0.006 0.000 0.291 34 I C -0.968 175.190 176.117 0.067 0.000 0.992 34 I CA -0.752 60.516 61.300 -0.053 0.000 1.154 34 I CB 1.593 39.337 38.000 -0.427 0.000 1.315 34 I HN 0.598 nan 8.210 nan 0.000 0.448 35 Y N 5.477 125.812 120.300 0.057 0.000 2.327 35 Y HA 0.332 4.886 4.550 0.006 0.000 0.336 35 Y C -0.110 175.771 175.900 -0.033 0.000 1.035 35 Y CA 0.050 58.209 58.100 0.098 0.000 1.165 35 Y CB 1.023 39.617 38.460 0.223 0.000 1.181 35 Y HN 0.519 nan 8.280 nan 0.000 0.494 36 S N 6.416 121.853 115.700 -0.437 0.000 2.473 36 S HA 0.638 5.112 4.470 0.006 0.000 0.307 36 S C -1.385 172.926 174.600 -0.480 0.000 1.094 36 S CA -0.555 57.221 58.200 -0.707 0.000 1.070 36 S CB 0.925 63.276 63.200 -1.416 0.000 1.019 36 S HN 0.511 nan 8.310 nan 0.000 0.480 37 F N 0.826 120.837 119.950 0.101 0.000 2.620 37 F HA 0.767 5.298 4.527 0.006 0.000 0.320 37 F C 0.331 176.339 175.800 0.348 0.000 1.069 37 F CA -0.923 57.187 58.000 0.183 0.000 0.953 37 F CB 1.436 40.457 39.000 0.034 0.000 1.322 37 F HN 0.658 nan 8.300 nan 0.000 0.479 38 A N 1.438 124.623 122.820 0.608 0.000 2.282 38 A HA 0.659 4.982 4.320 0.006 0.000 0.319 38 A C -0.689 177.285 177.584 0.650 0.000 1.121 38 A CA -0.421 51.966 52.037 0.583 0.000 0.836 38 A CB 0.908 20.143 19.000 0.392 0.000 1.146 38 A HN 0.733 nan 8.150 nan 0.000 0.494 39 N N -0.854 118.190 118.700 0.574 0.000 2.671 39 N HA 0.705 5.449 4.740 0.006 0.000 0.303 39 N C -1.156 174.479 175.510 0.207 0.000 1.277 39 N CA -0.490 52.826 53.050 0.444 0.000 0.933 39 N CB 0.867 39.419 38.487 0.108 0.000 1.190 39 N HN 0.496 nan 8.380 nan 0.000 0.600 40 I N 0.427 121.075 120.570 0.130 0.000 2.512 40 I HA 0.309 4.483 4.170 0.006 0.000 0.287 40 I C -1.087 174.973 176.117 -0.096 0.000 1.069 40 I CA -0.564 60.720 61.300 -0.027 0.000 1.056 40 I CB 1.901 39.789 38.000 -0.187 0.000 1.229 40 I HN 0.335 nan 8.210 nan 0.000 0.429 41 S N 3.966 119.618 115.700 -0.080 0.000 2.614 41 S HA 0.407 4.881 4.470 0.006 0.000 0.288 41 S C -0.110 174.452 174.600 -0.063 0.000 1.137 41 S CA -0.864 57.281 58.200 -0.092 0.000 0.992 41 S CB 1.412 64.565 63.200 -0.077 0.000 1.026 41 S HN 0.818 nan 8.310 nan 0.000 0.486 42 N N 2.453 121.110 118.700 -0.073 0.000 2.747 42 N HA -0.182 4.562 4.740 0.006 0.000 0.249 42 N C -0.478 175.013 175.510 -0.031 0.000 1.107 42 N CA 0.462 53.483 53.050 -0.048 0.000 0.707 42 N CB -1.200 37.272 38.487 -0.026 0.000 1.054 42 N HN 0.744 nan 8.380 nan 0.000 0.555 43 N N -1.512 117.154 118.700 -0.056 0.000 2.741 43 N HA -0.181 4.563 4.740 0.006 0.000 0.250 43 N C -0.964 174.607 175.510 0.102 0.000 1.115 43 N CA 1.642 54.675 53.050 -0.029 0.000 0.724 43 N CB -0.888 37.592 38.487 -0.011 0.000 1.090 43 N HN 0.722 nan 8.380 nan 0.000 0.558 44 E N -0.080 120.173 120.200 0.088 0.000 2.312 44 E HA 0.463 4.817 4.350 0.006 0.000 0.267 44 E C 0.134 176.806 176.600 0.121 0.000 0.894 44 E CA -0.934 55.555 56.400 0.148 0.000 0.773 44 E CB 2.275 32.003 29.700 0.045 0.000 1.241 44 E HN 0.166 nan 8.360 nan 0.000 0.432 45 I N 1.339 121.973 120.570 0.108 0.000 2.754 45 I HA 0.033 4.207 4.170 0.006 0.000 0.285 45 I C -0.481 175.400 176.117 -0.393 0.000 1.166 45 I CA 0.893 62.171 61.300 -0.037 0.000 1.417 45 I CB 0.461 38.386 38.000 -0.126 0.000 1.382 45 I HN 0.554 nan 8.210 nan 0.000 0.588 46 D N 3.070 123.295 120.400 -0.293 0.000 2.639 46 D HA 0.305 4.948 4.640 0.006 0.000 0.271 46 D C -0.990 175.365 176.300 0.092 0.000 1.254 46 D CA -0.167 53.700 54.000 -0.222 0.000 0.810 46 D CB 1.611 42.378 40.800 -0.055 0.000 1.351 46 D HN 0.628 nan 8.370 nan 0.000 0.427 47 T N -1.575 113.136 114.554 0.263 0.000 2.766 47 T HA 0.138 4.492 4.350 0.006 0.000 0.295 47 T C 0.328 175.244 174.700 0.359 0.000 1.024 47 T CA -0.324 62.000 62.100 0.374 0.000 1.018 47 T CB 1.012 70.025 68.868 0.241 0.000 1.002 47 T HN 0.518 nan 8.240 nan 0.000 0.532 48 W N 0.260 121.712 121.300 0.253 0.000 3.517 48 W HA 0.261 4.924 4.660 0.006 0.000 0.234 48 W C 0.135 176.806 176.519 0.253 0.000 0.972 48 W CA 0.136 57.639 57.345 0.263 0.000 2.002 48 W CB 0.085 29.752 29.460 0.345 0.000 1.018 48 W HN 0.595 nan 8.180 nan 0.000 0.712 49 E N 1.693 122.275 120.200 0.637 0.000 2.349 49 E HA -0.003 4.350 4.350 0.006 0.000 0.265 49 E C 1.413 178.182 176.600 0.281 0.000 1.064 49 E CA -0.125 56.574 56.400 0.498 0.000 0.886 49 E CB 0.133 30.058 29.700 0.374 0.000 1.036 49 E HN 0.306 nan 8.360 nan 0.000 0.413 50 W N 3.430 124.876 121.300 0.243 0.000 2.350 50 W HA -0.156 4.507 4.660 0.006 0.000 0.289 50 W C 0.589 177.184 176.519 0.126 0.000 1.215 50 W CA 1.151 58.592 57.345 0.160 0.000 1.236 50 W CB -0.699 28.850 29.460 0.149 0.000 1.130 50 W HN 0.379 nan 8.180 nan 0.000 0.541 51 N N 0.614 118.748 118.700 -0.943 0.000 2.273 51 N HA -0.052 4.692 4.740 0.006 0.000 0.231 51 N C 0.553 175.790 175.510 -0.454 0.000 1.134 51 N CA 0.191 52.733 53.050 -0.847 0.000 0.856 51 N CB -0.731 36.908 38.487 -1.415 0.000 1.068 51 N HN -0.104 nan 8.380 nan 0.000 0.510 52 D N 0.877 121.070 120.400 -0.345 0.000 2.116 52 D HA -0.162 4.481 4.640 0.006 0.000 0.193 52 D C 2.104 177.846 176.300 -0.930 0.000 0.998 52 D CA 1.704 55.399 54.000 -0.509 0.000 0.836 52 D CB -0.038 40.472 40.800 -0.483 0.000 0.951 52 D HN 0.303 nan 8.370 nan 0.000 0.449 53 V N -1.120 118.363 119.914 -0.719 0.000 2.594 53 V HA -0.188 3.936 4.120 0.006 0.000 0.253 53 V C 2.078 178.009 176.094 -0.272 0.000 1.069 53 V CA 2.026 63.990 62.300 -0.561 0.000 1.082 53 V CB -0.997 30.697 31.823 -0.215 0.000 0.680 53 V HN 0.021 nan 8.190 nan 0.000 0.469 54 T N 1.117 115.531 114.554 -0.234 0.000 2.770 54 T HA 0.119 4.473 4.350 0.006 0.000 0.263 54 T C 1.853 176.497 174.700 -0.093 0.000 1.039 54 T CA 1.861 63.883 62.100 -0.130 0.000 1.142 54 T CB -0.300 68.491 68.868 -0.129 0.000 0.868 54 T HN 0.457 nan 8.240 nan 0.000 0.435 55 L N -0.135 121.026 121.223 -0.104 0.000 2.141 55 L HA -0.075 4.268 4.340 0.006 0.000 0.209 55 L C 2.489 179.385 176.870 0.044 0.000 1.094 55 L CA 1.204 56.065 54.840 0.033 0.000 0.763 55 L CB -0.704 41.468 42.059 0.188 0.000 0.908 55 L HN 0.257 nan 8.230 nan 0.000 0.437 56 Y N 0.575 120.731 120.300 -0.240 0.000 2.128 56 Y HA -0.301 4.252 4.550 0.006 0.000 0.284 56 Y C 2.529 178.258 175.900 -0.284 0.000 1.154 56 Y CA 1.340 59.239 58.100 -0.335 0.000 1.149 56 Y CB -0.971 37.304 38.460 -0.309 0.000 0.976 56 Y HN 0.303 nan 8.280 nan 0.000 0.505 57 D N -0.743 119.655 120.400 -0.004 0.000 2.104 57 D HA -0.151 4.493 4.640 0.006 0.000 0.194 57 D C 1.942 178.195 176.300 -0.079 0.000 0.994 57 D CA 2.143 56.110 54.000 -0.055 0.000 0.830 57 D CB -0.125 40.656 40.800 -0.032 0.000 0.959 57 D HN 0.241 nan 8.370 nan 0.000 0.452 58 T N 0.230 114.751 114.554 -0.055 0.000 2.746 58 T HA -0.143 4.211 4.350 0.006 0.000 0.267 58 T C 1.823 176.469 174.700 -0.090 0.000 1.039 58 T CA 1.180 63.245 62.100 -0.058 0.000 1.142 58 T CB -0.432 68.422 68.868 -0.023 0.000 0.866 58 T HN 0.139 nan 8.240 nan 0.000 0.444 59 L N 1.720 122.885 121.223 -0.096 0.000 2.017 59 L HA -0.005 4.338 4.340 0.006 0.000 0.208 59 L C 1.703 178.468 176.870 -0.176 0.000 1.073 59 L CA 1.838 56.601 54.840 -0.130 0.000 0.745 59 L CB -0.829 41.193 42.059 -0.062 0.000 0.894 59 L HN 0.202 nan 8.230 nan 0.000 0.432 60 N N -1.481 117.080 118.700 -0.231 0.000 2.512 60 N HA -0.127 4.617 4.740 0.006 0.000 0.183 60 N C 1.385 176.784 175.510 -0.184 0.000 1.073 60 N CA 0.956 53.850 53.050 -0.259 0.000 0.911 60 N CB -0.067 38.202 38.487 -0.363 0.000 0.964 60 N HN 0.614 nan 8.380 nan 0.000 0.447 61 T N -1.307 113.160 114.554 -0.145 0.000 3.055 61 T HA 0.067 4.421 4.350 0.006 0.000 0.265 61 T C 1.616 176.243 174.700 -0.120 0.000 1.111 61 T CA 0.296 62.326 62.100 -0.116 0.000 1.118 61 T CB -0.228 68.587 68.868 -0.088 0.000 0.909 61 T HN 0.138 nan 8.240 nan 0.000 0.501 62 L N -0.088 121.051 121.223 -0.141 0.000 2.265 62 L HA 0.061 4.405 4.340 0.006 0.000 0.215 62 L C 2.583 179.338 176.870 -0.191 0.000 1.117 62 L CA 1.101 55.845 54.840 -0.160 0.000 0.782 62 L CB -0.430 41.523 42.059 -0.176 0.000 0.914 62 L HN 0.254 nan 8.230 nan 0.000 0.441 63 K N -0.220 120.075 120.400 -0.175 0.000 2.486 63 K HA -0.032 4.291 4.320 0.006 0.000 0.194 63 K C 1.511 178.029 176.600 -0.137 0.000 1.033 63 K CA 0.247 56.431 56.287 -0.171 0.000 1.004 63 K CB 0.029 32.433 32.500 -0.159 0.000 0.798 63 K HN 0.239 nan 8.250 nan 0.000 0.495 64 N N 0.411 119.041 118.700 -0.117 0.000 2.416 64 N HA -0.013 4.731 4.740 0.006 0.000 0.177 64 N C 1.255 176.724 175.510 -0.067 0.000 1.036 64 N CA 0.671 53.672 53.050 -0.081 0.000 0.901 64 N CB 0.302 38.749 38.487 -0.066 0.000 0.976 64 N HN 0.177 nan 8.380 nan 0.000 0.444 65 R N 0.055 120.494 120.500 -0.102 0.000 2.105 65 R HA 0.108 4.452 4.340 0.006 0.000 0.214 65 R C 0.128 176.343 176.300 -0.142 0.000 1.091 65 R CA 0.358 56.412 56.100 -0.075 0.000 1.007 65 R CB -0.089 30.156 30.300 -0.091 0.000 0.912 65 R HN 0.037 nan 8.270 nan 0.000 0.450 66 N N 1.325 119.818 118.700 -0.346 0.000 2.626 66 N HA 0.165 4.909 4.740 0.006 0.000 0.242 66 N C -2.292 173.091 175.510 -0.211 0.000 1.005 66 N CA -2.334 50.465 53.050 -0.418 0.000 0.905 66 N CB 1.584 39.542 38.487 -0.881 0.000 1.128 66 N HN -0.207 nan 8.380 nan 0.000 0.512 67 P HA -0.087 nan 4.420 nan 0.000 0.223 67 P C 0.384 177.632 177.300 -0.086 0.000 1.144 67 P CA 1.169 64.222 63.100 -0.078 0.000 0.783 67 P CB 0.323 32.002 31.700 -0.035 0.000 0.771 68 K N -1.128 119.219 120.400 -0.088 0.000 2.404 68 K HA 0.131 4.455 4.320 0.006 0.000 0.194 68 K C 0.676 177.185 176.600 -0.152 0.000 1.023 68 K CA -0.188 56.044 56.287 -0.091 0.000 1.094 68 K CB 0.051 32.523 32.500 -0.048 0.000 0.841 68 K HN 0.225 nan 8.250 nan 0.000 0.523 69 L N 2.594 123.705 121.223 -0.187 0.000 2.410 69 L HA 0.071 4.414 4.340 0.006 0.000 0.273 69 L C -0.323 176.418 176.870 -0.215 0.000 1.152 69 L CA 0.485 55.190 54.840 -0.225 0.000 0.855 69 L CB 0.492 42.407 42.059 -0.241 0.000 1.129 69 L HN -0.053 nan 8.230 nan 0.000 0.463 70 K N 3.263 123.494 120.400 -0.281 0.000 2.182 70 K HA 0.481 4.805 4.320 0.006 0.000 0.262 70 K C -0.232 176.325 176.600 -0.072 0.000 0.957 70 K CA -0.475 55.694 56.287 -0.197 0.000 0.842 70 K CB 2.019 34.346 32.500 -0.289 0.000 1.099 70 K HN 0.674 nan 8.250 nan 0.000 0.438 71 T N -0.302 114.265 114.554 0.022 0.000 2.887 71 T HA 0.775 5.128 4.350 0.006 0.000 0.288 71 T C -0.329 174.565 174.700 0.324 0.000 1.021 71 T CA -0.866 61.320 62.100 0.143 0.000 1.000 71 T CB 1.166 70.065 68.868 0.052 0.000 1.034 71 T HN 0.202 nan 8.240 nan 0.000 0.467 72 L N 1.315 122.750 121.223 0.353 0.000 2.376 72 L HA 0.725 5.069 4.340 0.006 0.000 0.258 72 L C -1.191 175.644 176.870 -0.059 0.000 1.013 72 L CA -0.973 53.993 54.840 0.210 0.000 0.822 72 L CB 2.126 44.283 42.059 0.163 0.000 1.388 72 L HN 0.700 nan 8.230 nan 0.000 0.413 73 L N 0.686 121.664 121.223 -0.408 0.000 2.313 73 L HA 0.700 5.044 4.340 0.006 0.000 0.283 73 L C -0.242 176.593 176.870 -0.059 0.000 1.013 73 L CA 0.183 54.692 54.840 -0.553 0.000 0.816 73 L CB 1.685 43.117 42.059 -1.045 0.000 1.236 73 L HN 0.570 nan 8.230 nan 0.000 0.419 74 S N 3.898 119.677 115.700 0.132 0.000 2.508 74 S HA 0.768 5.242 4.470 0.006 0.000 0.284 74 S C -0.744 174.117 174.600 0.436 0.000 1.192 74 S CA -0.611 57.785 58.200 0.327 0.000 1.070 74 S CB 0.783 64.280 63.200 0.496 0.000 1.004 74 S HN 0.472 nan 8.310 nan 0.000 0.493 75 V N 4.000 124.129 119.914 0.358 0.000 2.483 75 V HA 0.936 5.060 4.120 0.006 0.000 0.295 75 V C 1.144 177.284 176.094 0.077 0.000 1.035 75 V CA 0.177 62.632 62.300 0.259 0.000 0.896 75 V CB 0.210 32.191 31.823 0.263 0.000 0.986 75 V HN 1.297 nan 8.190 nan 0.000 0.447 76 G N 2.434 111.066 108.800 -0.280 0.000 2.659 76 G HA2 0.484 4.447 3.960 0.006 0.000 0.214 76 G HA3 0.484 4.447 3.960 0.006 0.000 0.214 76 G C 0.370 174.726 174.900 -0.907 0.000 1.191 76 G CA 0.008 44.726 45.100 -0.636 0.000 1.141 76 G HN 2.647 nan 8.290 nan 0.000 0.581 77 G N -2.302 105.741 108.800 -1.261 0.000 2.655 77 G HA2 0.023 3.987 3.960 0.006 0.000 0.680 77 G HA3 0.023 3.987 3.960 0.006 0.000 0.680 77 G C 0.741 175.189 174.900 -0.753 0.000 1.302 77 G CA 0.539 44.565 45.100 -1.790 0.000 0.872 77 G HN 1.338 nan 8.290 nan 0.000 0.540 78 W N -0.144 120.936 121.300 -0.367 0.000 2.436 78 W HA -0.044 4.620 4.660 0.007 0.000 0.284 78 W C 2.052 178.528 176.519 -0.072 0.000 1.225 78 W CA 1.226 58.467 57.345 -0.174 0.000 1.271 78 W CB -0.185 29.187 29.460 -0.146 0.000 1.114 78 W HN 0.561 nan 8.180 nan 0.000 0.559 79 N N -0.271 118.529 118.700 0.167 0.000 2.413 79 N HA -0.010 4.734 4.740 0.006 0.000 0.207 79 N C -0.778 174.929 175.510 0.329 0.000 1.206 79 N CA 0.083 53.247 53.050 0.190 0.000 0.832 79 N CB -0.357 38.218 38.487 0.146 0.000 1.037 79 N HN -0.160 nan 8.380 nan 0.000 0.467 80 F N 0.526 120.530 119.950 0.089 0.000 2.445 80 F HA 0.473 5.003 4.527 0.006 0.000 0.348 80 F C 0.601 176.398 175.800 -0.006 0.000 1.125 80 F CA -1.300 56.751 58.000 0.084 0.000 0.983 80 F CB 0.713 39.743 39.000 0.050 0.000 1.198 80 F HN -0.116 nan 8.300 nan 0.000 0.436 81 G N 7.593 116.309 108.800 -0.140 0.000 2.202 81 G HA2 0.140 4.103 3.960 0.006 0.000 0.251 81 G HA3 0.140 4.103 3.960 0.006 0.000 0.251 81 G C -1.728 173.235 174.900 0.106 0.000 1.219 81 G CA -0.844 44.231 45.100 -0.042 0.000 0.943 81 G HN 0.574 nan 8.290 nan 0.000 0.465 82 P HA -0.127 nan 4.420 nan 0.000 0.219 82 P C 1.072 178.473 177.300 0.168 0.000 1.146 82 P CA 1.141 64.394 63.100 0.257 0.000 0.808 82 P CB 0.412 32.301 31.700 0.316 0.000 0.779 83 E N 0.500 120.751 120.200 0.085 0.000 2.110 83 E HA -0.144 4.210 4.350 0.006 0.000 0.193 83 E C 2.181 178.740 176.600 -0.067 0.000 0.988 83 E CA 1.021 57.439 56.400 0.029 0.000 0.804 83 E CB -0.903 28.794 29.700 -0.005 0.000 0.745 83 E HN 0.290 nan 8.360 nan 0.000 0.458 84 R N -0.417 119.998 120.500 -0.141 0.000 2.105 84 R HA -0.095 4.248 4.340 0.006 0.000 0.239 84 R C 1.993 178.131 176.300 -0.270 0.000 1.135 84 R CA 1.233 57.176 56.100 -0.262 0.000 0.967 84 R CB -0.399 29.581 30.300 -0.533 0.000 0.861 84 R HN 0.152 nan 8.270 nan 0.000 0.442 85 F N 0.598 120.357 119.950 -0.318 0.000 2.113 85 F HA -0.164 4.366 4.527 0.006 0.000 0.297 85 F C 2.795 178.082 175.800 -0.856 0.000 1.103 85 F CA 1.504 59.015 58.000 -0.814 0.000 1.248 85 F CB -0.658 37.291 39.000 -1.752 0.000 0.999 85 F HN -0.068 nan 8.300 nan 0.000 0.475 86 S N -0.300 115.197 115.700 -0.338 0.000 2.387 86 S HA -0.302 4.172 4.470 0.006 0.000 0.230 86 S C 2.239 176.803 174.600 -0.059 0.000 1.035 86 S CA 1.886 60.094 58.200 0.014 0.000 1.014 86 S CB -0.388 62.939 63.200 0.210 0.000 0.836 86 S HN 0.398 nan 8.310 nan 0.000 0.466 87 K N 0.182 120.510 120.400 -0.121 0.000 2.103 87 K HA 0.061 4.384 4.320 0.006 0.000 0.204 87 K C 1.965 178.473 176.600 -0.154 0.000 1.052 87 K CA 1.238 57.449 56.287 -0.127 0.000 0.945 87 K CB -0.133 32.287 32.500 -0.133 0.000 0.722 87 K HN 0.389 nan 8.250 nan 0.000 0.443 88 I N 0.810 121.253 120.570 -0.212 0.000 2.286 88 I HA -0.142 4.032 4.170 0.006 0.000 0.245 88 I C 2.384 178.431 176.117 -0.116 0.000 1.104 88 I CA 1.124 62.300 61.300 -0.207 0.000 1.397 88 I CB -0.741 37.037 38.000 -0.369 0.000 1.072 88 I HN 0.200 nan 8.210 nan 0.000 0.417 89 A N 0.402 123.167 122.820 -0.091 0.000 2.014 89 A HA -0.081 4.243 4.320 0.006 0.000 0.218 89 A C 2.486 180.043 177.584 -0.044 0.000 1.163 89 A CA 1.393 53.450 52.037 0.034 0.000 0.652 89 A CB -0.401 18.721 19.000 0.202 0.000 0.808 89 A HN 0.374 nan 8.150 nan 0.000 0.449 90 S N -0.060 115.516 115.700 -0.205 0.000 2.387 90 S HA -0.023 4.450 4.470 0.006 0.000 0.226 90 S C 0.711 175.150 174.600 -0.268 0.000 1.026 90 S CA 0.928 58.826 58.200 -0.504 0.000 0.972 90 S CB -0.090 62.853 63.200 -0.428 0.000 0.814 90 S HN 0.562 nan 8.310 nan 0.000 0.477 91 K N 2.408 122.724 120.400 -0.140 0.000 2.266 91 K HA 0.190 4.514 4.320 0.006 0.000 0.274 91 K C 1.138 177.715 176.600 -0.037 0.000 1.090 91 K CA -0.038 56.203 56.287 -0.078 0.000 0.925 91 K CB 0.931 33.391 32.500 -0.066 0.000 1.225 91 K HN 0.218 nan 8.250 nan 0.000 0.458 92 T N -0.089 114.455 114.554 -0.016 0.000 2.896 92 T HA -0.313 4.041 4.350 0.006 0.000 0.270 92 T C 1.655 176.363 174.700 0.013 0.000 1.104 92 T CA 1.590 63.697 62.100 0.011 0.000 1.115 92 T CB -0.022 68.858 68.868 0.019 0.000 0.843 92 T HN 0.579 nan 8.240 nan 0.000 0.523 93 Q N 0.781 120.583 119.800 0.002 0.000 2.204 93 Q HA 0.025 4.368 4.340 0.006 0.000 0.198 93 Q C 2.461 178.468 176.000 0.012 0.000 0.946 93 Q CA 1.333 57.140 55.803 0.006 0.000 0.859 93 Q CB 0.019 28.756 28.738 -0.002 0.000 0.946 93 Q HN 0.787 nan 8.270 nan 0.000 0.474 94 S N -0.348 115.353 115.700 0.001 0.000 2.461 94 S HA -0.060 4.414 4.470 0.006 0.000 0.228 94 S C 1.788 176.419 174.600 0.051 0.000 1.005 94 S CA 0.551 58.754 58.200 0.005 0.000 0.942 94 S CB -0.134 63.042 63.200 -0.039 0.000 0.776 94 S HN 0.296 nan 8.310 nan 0.000 0.514 95 R N 1.626 122.158 120.500 0.054 0.000 2.066 95 R HA 0.081 4.424 4.340 0.006 0.000 0.232 95 R C 2.696 179.072 176.300 0.126 0.000 1.131 95 R CA 0.983 57.151 56.100 0.114 0.000 0.955 95 R CB -0.210 30.140 30.300 0.084 0.000 0.851 95 R HN 0.356 nan 8.270 nan 0.000 0.432 96 R N -0.246 120.296 120.500 0.070 0.000 2.092 96 R HA -0.089 4.255 4.340 0.006 0.000 0.231 96 R C 1.638 177.969 176.300 0.053 0.000 1.119 96 R CA 1.949 58.077 56.100 0.046 0.000 0.970 96 R CB -0.292 30.025 30.300 0.029 0.000 0.864 96 R HN 0.244 nan 8.270 nan 0.000 0.440 97 T N 0.971 115.566 114.554 0.068 0.000 2.746 97 T HA -0.168 4.186 4.350 0.006 0.000 0.267 97 T C 1.321 176.089 174.700 0.113 0.000 1.039 97 T CA 1.542 63.685 62.100 0.071 0.000 1.142 97 T CB -0.379 68.525 68.868 0.061 0.000 0.866 97 T HN 0.266 nan 8.240 nan 0.000 0.444 98 F N 1.661 121.601 119.950 -0.017 0.000 2.113 98 F HA 0.048 4.579 4.527 0.006 0.000 0.297 98 F C 1.963 177.769 175.800 0.009 0.000 1.103 98 F CA 0.580 58.569 58.000 -0.019 0.000 1.248 98 F CB -0.673 38.304 39.000 -0.038 0.000 0.999 98 F HN 0.077 nan 8.300 nan 0.000 0.475 99 I N 0.304 120.767 120.570 -0.177 0.000 2.118 99 I HA -0.360 3.814 4.170 0.006 0.000 0.241 99 I C 2.365 178.388 176.117 -0.157 0.000 1.070 99 I CA 1.731 62.871 61.300 -0.266 0.000 1.327 99 I CB -0.531 37.407 38.000 -0.104 0.000 1.034 99 I HN 0.057 nan 8.210 nan 0.000 0.405 100 K N 0.843 121.207 120.400 -0.059 0.000 2.152 100 K HA -0.164 4.160 4.320 0.006 0.000 0.206 100 K C 2.140 178.738 176.600 -0.002 0.000 1.048 100 K CA 1.679 57.961 56.287 -0.008 0.000 0.933 100 K CB -0.280 32.227 32.500 0.013 0.000 0.721 100 K HN 0.438 nan 8.250 nan 0.000 0.447 101 S N -0.915 114.766 115.700 -0.032 0.000 2.522 101 S HA -0.027 4.447 4.470 0.006 0.000 0.227 101 S C 1.823 176.428 174.600 0.008 0.000 0.986 101 S CA 0.607 58.807 58.200 0.000 0.000 0.929 101 S CB -0.136 63.068 63.200 0.008 0.000 0.769 101 S HN -0.008 nan 8.310 nan 0.000 0.529 102 V N 2.748 122.629 119.914 -0.055 0.000 2.302 102 V HA 0.029 4.153 4.120 0.006 0.000 0.243 102 V C -0.362 175.814 176.094 0.137 0.000 1.036 102 V CA 1.316 63.633 62.300 0.028 0.000 1.020 102 V CB -1.599 30.201 31.823 -0.039 0.000 0.657 102 V HN 0.340 nan 8.190 nan 0.000 0.453 103 P HA -0.117 nan 4.420 nan 0.000 0.215 103 P C -1.409 175.918 177.300 0.045 0.000 1.157 103 P CA 2.034 65.154 63.100 0.032 0.000 0.874 103 P CB -1.170 30.549 31.700 0.031 0.000 0.790 104 P HA -0.150 nan 4.420 nan 0.000 0.217 104 P C 1.461 178.822 177.300 0.103 0.000 1.150 104 P CA 0.979 64.120 63.100 0.070 0.000 0.832 104 P CB -0.454 31.295 31.700 0.083 0.000 0.787 105 F N -0.020 119.956 119.950 0.043 0.000 2.102 105 F HA -0.157 4.374 4.527 0.006 0.000 0.298 105 F C 1.884 177.774 175.800 0.150 0.000 1.105 105 F CA 1.352 59.422 58.000 0.118 0.000 1.239 105 F CB -0.924 38.177 39.000 0.168 0.000 0.991 105 F HN -0.257 nan 8.300 nan 0.000 0.474 106 L N 0.140 121.487 121.223 0.207 0.000 2.046 106 L HA -0.173 4.170 4.340 0.006 0.000 0.208 106 L C 2.495 179.381 176.870 0.027 0.000 1.077 106 L CA 1.631 56.556 54.840 0.141 0.000 0.747 106 L CB -1.126 40.983 42.059 0.083 0.000 0.896 106 L HN -0.004 nan 8.230 nan 0.000 0.432 107 R N -1.291 119.189 120.500 -0.033 0.000 2.092 107 R HA -0.081 4.262 4.340 0.006 0.000 0.231 107 R C 2.211 178.423 176.300 -0.147 0.000 1.119 107 R CA 1.559 57.611 56.100 -0.080 0.000 0.970 107 R CB -0.663 29.597 30.300 -0.067 0.000 0.864 107 R HN 0.310 nan 8.270 nan 0.000 0.440 108 T N -0.239 114.174 114.554 -0.235 0.000 2.746 108 T HA -0.094 4.260 4.350 0.006 0.000 0.267 108 T C 1.012 175.409 174.700 -0.504 0.000 1.039 108 T CA 1.267 63.127 62.100 -0.400 0.000 1.142 108 T CB -0.190 68.326 68.868 -0.586 0.000 0.866 108 T HN 0.348 nan 8.240 nan 0.000 0.444 109 H N -0.201 118.759 119.070 -0.184 0.000 2.539 109 H HA 0.348 4.907 4.556 0.006 0.000 0.269 109 H C 1.853 176.989 175.328 -0.320 0.000 0.980 109 H CA 0.526 56.459 56.048 -0.190 0.000 1.152 109 H CB 0.148 29.830 29.762 -0.133 0.000 1.407 109 H HN 0.523 nan 8.280 nan 0.000 0.564 110 G N 0.826 109.511 108.800 -0.193 0.000 2.132 110 G HA2 -0.256 3.708 3.960 0.006 0.000 0.228 110 G HA3 -0.256 3.708 3.960 0.006 0.000 0.228 110 G C -0.198 174.504 174.900 -0.330 0.000 1.000 110 G CA -0.274 44.673 45.100 -0.256 0.000 0.693 110 G HN 0.176 nan 8.290 nan 0.000 0.515 111 F N 0.578 120.448 119.950 -0.133 0.000 2.380 111 F HA 0.432 4.963 4.527 0.006 0.000 0.325 111 F C 1.387 177.130 175.800 -0.096 0.000 1.136 111 F CA -0.240 57.689 58.000 -0.118 0.000 1.171 111 F CB 0.779 39.705 39.000 -0.124 0.000 1.230 111 F HN -0.008 nan 8.300 nan 0.000 0.554 112 D N 0.605 121.092 120.400 0.146 0.000 2.369 112 D HA 0.258 4.902 4.640 0.006 0.000 0.211 112 D C 0.696 177.027 176.300 0.051 0.000 1.077 112 D CA 0.447 54.480 54.000 0.054 0.000 0.842 112 D CB 0.771 41.596 40.800 0.041 0.000 0.947 112 D HN 0.641 nan 8.370 nan 0.000 0.509 113 G N 0.499 109.354 108.800 0.093 0.000 2.430 113 G HA2 0.404 4.368 3.960 0.006 0.000 0.300 113 G HA3 0.404 4.368 3.960 0.006 0.000 0.300 113 G C -2.321 172.634 174.900 0.091 0.000 1.330 113 G CA -0.776 44.363 45.100 0.065 0.000 0.813 113 G HN 0.051 nan 8.290 nan 0.000 0.487 114 L N 0.275 121.600 121.223 0.170 0.000 2.365 114 L HA 0.827 5.170 4.340 0.006 0.000 0.273 114 L C -1.309 175.631 176.870 0.116 0.000 1.000 114 L CA -0.602 54.335 54.840 0.162 0.000 0.819 114 L CB 2.219 44.449 42.059 0.285 0.000 1.284 114 L HN 0.623 nan 8.230 nan 0.000 0.418 115 D N 3.729 124.193 120.400 0.107 0.000 2.308 115 D HA 0.425 5.069 4.640 0.006 0.000 0.242 115 D C -1.249 175.145 176.300 0.158 0.000 1.059 115 D CA -0.162 53.898 54.000 0.101 0.000 0.830 115 D CB 1.204 42.096 40.800 0.153 0.000 1.161 115 D HN 0.551 nan 8.370 nan 0.000 0.494 116 L N 3.041 124.327 121.223 0.105 0.000 2.264 116 L HA 0.617 4.961 4.340 0.006 0.000 0.289 116 L C 0.056 176.945 176.870 0.031 0.000 1.044 116 L CA -0.794 54.097 54.840 0.086 0.000 0.807 116 L CB 1.531 43.616 42.059 0.044 0.000 1.192 116 L HN 0.581 nan 8.230 nan 0.000 0.425 117 A N 4.297 127.103 122.820 -0.024 0.000 3.165 117 A HA 0.180 4.504 4.320 0.006 0.000 0.331 117 A C -0.942 176.425 177.584 -0.363 0.000 1.034 117 A CA -0.438 51.505 52.037 -0.156 0.000 0.906 117 A CB -0.008 18.948 19.000 -0.073 0.000 1.054 117 A HN 0.714 nan 8.150 nan 0.000 0.484 118 W N 3.178 124.061 121.300 -0.695 0.000 2.416 118 W HA 0.549 5.212 4.660 0.006 0.000 0.318 118 W C -1.492 174.662 176.519 -0.609 0.000 1.150 118 W CA -0.985 55.835 57.345 -0.875 0.000 1.392 118 W CB 0.321 29.127 29.460 -1.089 0.000 1.311 118 W HN 0.358 nan 8.180 nan 0.000 0.436 119 L N 8.972 130.020 121.223 -0.293 0.000 2.366 119 L HA 0.357 4.701 4.340 0.006 0.000 0.266 119 L C -1.078 175.529 176.870 -0.438 0.000 1.010 119 L CA -0.689 53.601 54.840 -0.917 0.000 0.879 119 L CB 0.160 41.377 42.059 -1.403 0.000 1.228 119 L HN 0.216 nan 8.230 nan 0.000 0.439 120 Y N 1.639 121.973 120.300 0.056 0.000 2.581 120 Y HA 0.561 5.114 4.550 0.006 0.000 0.345 120 Y C -2.356 173.328 175.900 -0.361 0.000 1.036 120 Y CA -2.642 55.373 58.100 -0.142 0.000 1.042 120 Y CB 1.709 40.117 38.460 -0.087 0.000 1.289 120 Y HN 0.330 nan 8.280 nan 0.000 0.471 121 P HA 0.222 nan 4.420 nan 0.000 0.271 121 P C -0.143 176.884 177.300 -0.455 0.000 1.216 121 P CA -0.060 62.426 63.100 -1.023 0.000 0.776 121 P CB 0.809 31.582 31.700 -1.545 0.000 0.881 122 G N 1.182 109.837 108.800 -0.241 0.000 2.613 122 G HA2 0.225 4.189 3.960 0.006 0.000 0.303 122 G HA3 0.225 4.189 3.960 0.006 0.000 0.303 122 G C 0.761 175.575 174.900 -0.143 0.000 1.312 122 G CA -0.621 44.404 45.100 -0.125 0.000 1.036 122 G HN 0.394 nan 8.290 nan 0.000 0.513 123 R N -0.664 119.783 120.500 -0.087 0.000 2.117 123 R HA -0.070 4.274 4.340 0.006 0.000 0.243 123 R C 2.413 178.671 176.300 -0.069 0.000 1.143 123 R CA 1.379 57.431 56.100 -0.080 0.000 0.968 123 R CB -0.123 30.147 30.300 -0.050 0.000 0.863 123 R HN 0.487 nan 8.270 nan 0.000 0.444 124 R N -0.245 120.241 120.500 -0.023 0.000 2.307 124 R HA -0.012 4.332 4.340 0.006 0.000 0.199 124 R C 0.818 177.155 176.300 0.062 0.000 1.000 124 R CA 0.718 56.831 56.100 0.022 0.000 1.023 124 R CB 0.196 30.539 30.300 0.071 0.000 0.908 124 R HN 0.330 nan 8.270 nan 0.000 0.473 125 D N 0.637 121.042 120.400 0.009 0.000 2.301 125 D HA -0.069 4.575 4.640 0.006 0.000 0.206 125 D C 1.522 177.715 176.300 -0.178 0.000 0.979 125 D CA 0.380 54.405 54.000 0.041 0.000 0.874 125 D CB 0.130 40.890 40.800 -0.067 0.000 0.968 125 D HN 0.107 nan 8.370 nan 0.000 0.510 126 K N 1.673 121.915 120.400 -0.262 0.000 2.030 126 K HA -0.269 4.055 4.320 0.006 0.000 0.222 126 K C 2.141 178.600 176.600 -0.236 0.000 1.056 126 K CA 1.559 57.681 56.287 -0.275 0.000 0.957 126 K CB 0.008 32.386 32.500 -0.204 0.000 0.727 126 K HN -0.070 nan 8.250 nan 0.000 0.452 127 R N -0.502 119.823 120.500 -0.291 0.000 2.105 127 R HA -0.163 4.181 4.340 0.006 0.000 0.239 127 R C 2.254 178.406 176.300 -0.245 0.000 1.135 127 R CA 1.900 57.822 56.100 -0.296 0.000 0.967 127 R CB -0.285 29.788 30.300 -0.379 0.000 0.861 127 R HN 0.528 nan 8.270 nan 0.000 0.442 128 H N 0.321 119.406 119.070 0.025 0.000 2.428 128 H HA -0.102 4.457 4.556 0.006 0.000 0.296 128 H C 2.120 177.517 175.328 0.116 0.000 1.062 128 H CA 0.858 56.959 56.048 0.087 0.000 1.350 128 H CB -0.283 29.570 29.762 0.152 0.000 1.403 128 H HN 0.236 nan 8.280 nan 0.000 0.533 129 L N 0.724 122.015 121.223 0.112 0.000 1.989 129 L HA -0.190 4.154 4.340 0.006 0.000 0.211 129 L C 2.067 178.962 176.870 0.042 0.000 1.071 129 L CA 1.715 56.580 54.840 0.042 0.000 0.749 129 L CB -0.492 41.394 42.059 -0.287 0.000 0.890 129 L HN 0.210 nan 8.230 nan 0.000 0.431 130 T N 0.238 114.788 114.554 -0.007 0.000 2.699 130 T HA -0.208 4.145 4.350 0.006 0.000 0.268 130 T C 1.868 176.573 174.700 0.009 0.000 1.036 130 T CA 1.474 63.578 62.100 0.007 0.000 1.147 130 T CB -0.376 68.487 68.868 -0.009 0.000 0.862 130 T HN 0.564 nan 8.240 nan 0.000 0.446 131 A N 1.127 123.965 122.820 0.030 0.000 1.933 131 A HA 0.015 4.339 4.320 0.006 0.000 0.218 131 A C 2.246 179.846 177.584 0.026 0.000 1.175 131 A CA 1.267 53.321 52.037 0.028 0.000 0.628 131 A CB -0.730 18.317 19.000 0.079 0.000 0.814 131 A HN 0.423 nan 8.150 nan 0.000 0.444 132 L N -0.181 121.095 121.223 0.088 0.000 2.046 132 L HA -0.089 4.255 4.340 0.006 0.000 0.208 132 L C 2.308 179.189 176.870 0.018 0.000 1.077 132 L CA 1.907 56.809 54.840 0.104 0.000 0.747 132 L CB -0.529 41.661 42.059 0.218 0.000 0.896 132 L HN 0.129 nan 8.230 nan 0.000 0.432 133 V N -0.172 119.743 119.914 0.001 0.000 2.307 133 V HA -0.265 3.859 4.120 0.006 0.000 0.245 133 V C 2.662 178.652 176.094 -0.174 0.000 1.045 133 V CA 2.023 64.292 62.300 -0.052 0.000 1.024 133 V CB -0.623 31.207 31.823 0.011 0.000 0.651 133 V HN 0.498 nan 8.190 nan 0.000 0.449 134 K N 0.059 120.306 120.400 -0.255 0.000 2.009 134 K HA -0.256 4.068 4.320 0.006 0.000 0.210 134 K C 2.159 178.559 176.600 -0.333 0.000 1.049 134 K CA 2.217 58.183 56.287 -0.536 0.000 0.929 134 K CB -0.154 32.104 32.500 -0.404 0.000 0.714 134 K HN 0.540 nan 8.250 nan 0.000 0.440 135 E N -0.073 120.012 120.200 -0.191 0.000 2.150 135 E HA -0.196 4.158 4.350 0.006 0.000 0.193 135 E C 1.878 178.373 176.600 -0.174 0.000 0.985 135 E CA 1.176 57.494 56.400 -0.137 0.000 0.814 135 E CB -0.033 29.626 29.700 -0.069 0.000 0.752 135 E HN 0.243 nan 8.360 nan 0.000 0.466 136 M N 1.022 120.482 119.600 -0.233 0.000 2.175 136 M HA -0.125 4.359 4.480 0.006 0.000 0.264 136 M C 1.954 177.874 176.300 -0.633 0.000 1.063 136 M CA 1.550 56.600 55.300 -0.417 0.000 1.119 136 M CB 0.148 32.497 32.600 -0.418 0.000 1.377 136 M HN -0.216 nan 8.290 nan 0.000 0.415 137 K N 0.218 120.367 120.400 -0.419 0.000 2.103 137 K HA 0.120 4.444 4.320 0.006 0.000 0.204 137 K C 1.769 178.314 176.600 -0.091 0.000 1.052 137 K CA 1.607 57.736 56.287 -0.263 0.000 0.945 137 K CB -0.638 31.808 32.500 -0.090 0.000 0.722 137 K HN 0.351 nan 8.250 nan 0.000 0.443 138 A N 0.595 123.351 122.820 -0.107 0.000 1.933 138 A HA -0.170 4.153 4.320 0.006 0.000 0.218 138 A C 2.097 179.689 177.584 0.013 0.000 1.175 138 A CA 1.982 54.000 52.037 -0.033 0.000 0.628 138 A CB -0.649 18.318 19.000 -0.056 0.000 0.814 138 A HN 0.510 nan 8.150 nan 0.000 0.444 139 E N -0.874 119.318 120.200 -0.015 0.000 2.150 139 E HA -0.112 4.242 4.350 0.006 0.000 0.193 139 E C 1.480 178.231 176.600 0.253 0.000 0.985 139 E CA 1.055 57.497 56.400 0.071 0.000 0.814 139 E CB -0.367 29.349 29.700 0.026 0.000 0.752 139 E HN 0.490 nan 8.360 nan 0.000 0.466 140 F N 0.480 120.427 119.950 -0.005 0.000 2.163 140 F HA 0.157 4.687 4.527 0.006 0.000 0.297 140 F C 2.332 178.140 175.800 0.013 0.000 1.094 140 F CA 0.796 58.800 58.000 0.005 0.000 1.290 140 F CB -1.322 37.685 39.000 0.011 0.000 1.017 140 F HN 0.175 nan 8.300 nan 0.000 0.483 141 A N -0.108 122.840 122.820 0.213 0.000 1.902 141 A HA -0.205 4.118 4.320 0.006 0.000 0.217 141 A C 2.377 180.014 177.584 0.089 0.000 1.181 141 A CA 1.703 53.814 52.037 0.124 0.000 0.623 141 A CB -0.755 18.302 19.000 0.095 0.000 0.818 141 A HN 0.280 nan 8.150 nan 0.000 0.443 142 R N -0.565 119.987 120.500 0.087 0.000 2.092 142 R HA -0.104 4.239 4.340 0.006 0.000 0.231 142 R C 2.177 178.511 176.300 0.055 0.000 1.119 142 R CA 1.400 57.537 56.100 0.061 0.000 0.970 142 R CB -0.142 30.190 30.300 0.054 0.000 0.864 142 R HN 0.572 nan 8.270 nan 0.000 0.440 143 E N 0.110 120.353 120.200 0.072 0.000 2.274 143 E HA -0.105 4.249 4.350 0.006 0.000 0.194 143 E C 1.373 177.982 176.600 0.016 0.000 0.996 143 E CA 1.022 57.447 56.400 0.042 0.000 0.840 143 E CB 0.110 29.837 29.700 0.044 0.000 0.772 143 E HN 0.431 nan 8.360 nan 0.000 0.491 144 A N 0.644 123.478 122.820 0.023 0.000 2.119 144 A HA -0.128 4.195 4.320 0.006 0.000 0.217 144 A C 1.940 179.531 177.584 0.011 0.000 1.153 144 A CA 0.713 52.755 52.037 0.009 0.000 0.692 144 A CB -0.319 18.694 19.000 0.021 0.000 0.799 144 A HN 0.257 nan 8.150 nan 0.000 0.458 145 Q N -0.577 119.234 119.800 0.018 0.000 2.364 145 Q HA -0.029 4.315 4.340 0.006 0.000 0.209 145 Q C 1.996 178.000 176.000 0.007 0.000 0.977 145 Q CA 0.867 56.678 55.803 0.014 0.000 0.885 145 Q CB -0.324 28.424 28.738 0.018 0.000 0.941 145 Q HN 0.698 nan 8.270 nan 0.000 0.464 146 A N 0.059 122.881 122.820 0.004 0.000 2.209 146 A HA 0.166 4.490 4.320 0.006 0.000 0.212 146 A C 1.529 179.110 177.584 -0.006 0.000 1.158 146 A CA 0.949 52.985 52.037 -0.002 0.000 0.742 146 A CB -0.354 18.642 19.000 -0.006 0.000 0.790 146 A HN 0.464 nan 8.150 nan 0.000 0.472 147 G N -2.187 106.610 108.800 -0.005 0.000 2.144 147 G HA2 -0.148 3.816 3.960 0.006 0.000 0.218 147 G HA3 -0.148 3.816 3.960 0.006 0.000 0.218 147 G C 0.334 175.226 174.900 -0.013 0.000 0.988 147 G CA 0.527 45.623 45.100 -0.007 0.000 0.659 147 G HN 1.082 nan 8.290 nan 0.000 0.522 148 T N -0.487 114.057 114.554 -0.017 0.000 2.932 148 T HA 0.563 4.917 4.350 0.006 0.000 0.289 148 T C 0.161 174.846 174.700 -0.026 0.000 1.039 148 T CA 0.039 62.123 62.100 -0.026 0.000 1.024 148 T CB 1.610 70.456 68.868 -0.037 0.000 1.090 148 T HN 0.353 nan 8.240 nan 0.000 0.496 149 E N 2.361 122.544 120.200 -0.028 0.000 2.480 149 E HA 0.046 4.400 4.350 0.006 0.000 0.258 149 E C 0.243 176.823 176.600 -0.033 0.000 0.984 149 E CA -0.075 56.312 56.400 -0.022 0.000 0.930 149 E CB 0.433 30.120 29.700 -0.022 0.000 0.936 149 E HN 0.386 nan 8.360 nan 0.000 0.466 150 R N 3.529 124.021 120.500 -0.013 0.000 2.583 150 R HA -0.032 4.312 4.340 0.006 0.000 0.274 150 R C -0.062 176.204 176.300 -0.058 0.000 0.998 150 R CA 0.213 56.302 56.100 -0.017 0.000 1.081 150 R CB 0.172 30.498 30.300 0.044 0.000 0.940 150 R HN 0.535 nan 8.270 nan 0.000 0.413 151 L N 4.018 125.122 121.223 -0.198 0.000 2.417 151 L HA 0.199 4.542 4.340 0.006 0.000 0.268 151 L C 0.437 177.264 176.870 -0.073 0.000 1.158 151 L CA -0.169 54.486 54.840 -0.309 0.000 0.819 151 L CB 0.410 41.943 42.059 -0.877 0.000 1.112 151 L HN 0.335 nan 8.230 nan 0.000 0.458 152 L N 3.000 124.253 121.223 0.050 0.000 2.399 152 L HA 0.440 4.784 4.340 0.006 0.000 0.266 152 L C -0.546 176.487 176.870 0.271 0.000 1.114 152 L CA -0.460 54.492 54.840 0.186 0.000 0.804 152 L CB 1.346 43.535 42.059 0.217 0.000 1.146 152 L HN 0.361 nan 8.230 nan 0.000 0.451 153 L N 2.263 123.607 121.223 0.203 0.000 2.381 153 L HA 0.638 4.981 4.340 0.006 0.000 0.274 153 L C -0.328 176.456 176.870 -0.143 0.000 0.988 153 L CA 0.204 55.112 54.840 0.113 0.000 0.824 153 L CB 1.759 43.861 42.059 0.072 0.000 1.263 153 L HN 0.746 nan 8.230 nan 0.000 0.410 154 S N 3.388 118.932 115.700 -0.260 0.000 2.697 154 S HA 1.044 5.518 4.470 0.006 0.000 0.289 154 S C -0.879 173.592 174.600 -0.215 0.000 1.149 154 S CA -0.264 57.627 58.200 -0.515 0.000 0.850 154 S CB 1.866 64.293 63.200 -1.288 0.000 1.151 154 S HN 1.236 nan 8.310 nan 0.000 0.491 155 A N 0.038 122.766 122.820 -0.154 0.000 2.520 155 A HA 0.876 5.199 4.320 0.006 0.000 0.298 155 A C -0.566 177.047 177.584 0.048 0.000 1.051 155 A CA -0.475 51.553 52.037 -0.016 0.000 0.690 155 A CB 1.201 20.200 19.000 -0.000 0.000 1.281 155 A HN 1.828 nan 8.150 nan 0.000 0.402 156 A N 1.345 124.216 122.820 0.085 0.000 2.260 156 A HA 0.647 4.970 4.320 0.006 0.000 0.308 156 A C -0.443 177.160 177.584 0.032 0.000 1.254 156 A CA -0.317 51.779 52.037 0.099 0.000 0.874 156 A CB 0.248 19.307 19.000 0.098 0.000 1.153 156 A HN 1.266 nan 8.150 nan 0.000 0.527 157 V N 2.176 122.086 119.914 -0.006 0.000 2.628 157 V HA 0.454 4.578 4.120 0.006 0.000 0.306 157 V C 0.844 176.871 176.094 -0.112 0.000 1.045 157 V CA -0.589 61.640 62.300 -0.118 0.000 0.905 157 V CB 1.935 33.578 31.823 -0.301 0.000 0.997 157 V HN 1.008 nan 8.190 nan 0.000 0.436 158 S N 2.694 118.339 115.700 -0.091 0.000 2.568 158 S HA 0.333 4.807 4.470 0.006 0.000 0.282 158 S C 0.946 175.432 174.600 -0.189 0.000 1.338 158 S CA 0.278 58.411 58.200 -0.112 0.000 1.045 158 S CB 1.068 64.118 63.200 -0.250 0.000 0.873 158 S HN 1.118 nan 8.310 nan 0.000 0.516 159 A N 3.713 126.429 122.820 -0.173 0.000 2.465 159 A HA 0.486 4.810 4.320 0.006 0.000 0.255 159 A C 0.846 178.504 177.584 0.123 0.000 1.274 159 A CA 0.088 52.102 52.037 -0.037 0.000 0.920 159 A CB -0.400 18.559 19.000 -0.069 0.000 1.033 159 A HN 0.939 nan 8.150 nan 0.000 0.516 160 G N -0.370 108.435 108.800 0.008 0.000 2.325 160 G HA2 0.363 4.326 3.960 0.006 0.000 0.298 160 G HA3 0.363 4.326 3.960 0.006 0.000 0.298 160 G C 0.645 175.570 174.900 0.042 0.000 1.134 160 G CA -0.296 44.856 45.100 0.088 0.000 0.876 160 G HN 0.307 nan 8.290 nan 0.000 0.452 161 K N 2.275 122.686 120.400 0.017 0.000 2.034 161 K HA -0.152 4.172 4.320 0.006 0.000 0.214 161 K C 2.127 178.667 176.600 -0.101 0.000 1.051 161 K CA 1.302 57.502 56.287 -0.146 0.000 0.931 161 K CB -0.155 31.996 32.500 -0.581 0.000 0.715 161 K HN 0.622 nan 8.250 nan 0.000 0.446 162 I N 0.626 121.124 120.570 -0.120 0.000 2.226 162 I HA -0.274 3.900 4.170 0.006 0.000 0.245 162 I C 2.483 178.574 176.117 -0.043 0.000 1.100 162 I CA 1.214 62.461 61.300 -0.087 0.000 1.374 162 I CB -0.383 37.563 38.000 -0.090 0.000 1.057 162 I HN 0.299 nan 8.210 nan 0.000 0.413 163 A N 0.967 123.757 122.820 -0.050 0.000 1.933 163 A HA -0.169 4.155 4.320 0.006 0.000 0.218 163 A C 2.256 179.916 177.584 0.126 0.000 1.175 163 A CA 1.468 53.485 52.037 -0.033 0.000 0.628 163 A CB -0.744 18.157 19.000 -0.165 0.000 0.814 163 A HN 0.395 nan 8.150 nan 0.000 0.444 164 I N -0.275 120.360 120.570 0.109 0.000 2.252 164 I HA -0.197 3.977 4.170 0.006 0.000 0.245 164 I C 1.724 177.953 176.117 0.186 0.000 1.102 164 I CA 1.364 62.762 61.300 0.164 0.000 1.385 164 I CB -0.403 37.645 38.000 0.081 0.000 1.064 164 I HN 0.222 nan 8.210 nan 0.000 0.414 165 D N 0.436 120.913 120.400 0.128 0.000 2.178 165 D HA -0.150 4.494 4.640 0.006 0.000 0.202 165 D C 2.177 178.497 176.300 0.034 0.000 0.974 165 D CA 0.830 54.881 54.000 0.084 0.000 0.841 165 D CB -0.230 40.610 40.800 0.067 0.000 0.953 165 D HN 0.261 nan 8.370 nan 0.000 0.478 166 R N 0.338 120.848 120.500 0.017 0.000 2.062 166 R HA -0.057 4.287 4.340 0.006 0.000 0.231 166 R C 1.599 177.846 176.300 -0.088 0.000 1.136 166 R CA 1.683 57.762 56.100 -0.035 0.000 0.948 166 R CB -0.171 30.100 30.300 -0.049 0.000 0.845 166 R HN 0.165 nan 8.270 nan 0.000 0.430 167 G N -1.142 107.580 108.800 -0.130 0.000 3.735 167 G HA2 0.189 4.153 3.960 0.006 0.000 0.283 167 G HA3 0.189 4.153 3.960 0.006 0.000 0.283 167 G C -0.875 173.697 174.900 -0.547 0.000 1.007 167 G CA -0.318 44.551 45.100 -0.384 0.000 0.821 167 G HN 0.172 nan 8.290 nan 0.000 0.505 168 Y N -0.126 120.086 120.300 -0.147 0.000 2.406 168 Y HA 0.395 4.948 4.550 0.006 0.000 0.340 168 Y C -0.985 174.849 175.900 -0.110 0.000 0.975 168 Y CA -1.441 56.574 58.100 -0.140 0.000 1.056 168 Y CB 2.366 40.752 38.460 -0.122 0.000 1.210 168 Y HN -0.057 nan 8.280 nan 0.000 0.448 169 D N 3.876 124.304 120.400 0.046 0.000 2.557 169 D HA 0.175 4.819 4.640 0.006 0.000 0.236 169 D C 1.000 177.308 176.300 0.012 0.000 1.154 169 D CA 0.006 54.009 54.000 0.005 0.000 0.985 169 D CB 0.281 41.070 40.800 -0.018 0.000 1.010 169 D HN 0.453 nan 8.370 nan 0.000 0.516 170 I N 1.766 122.335 120.570 -0.002 0.000 2.145 170 I HA -0.298 3.875 4.170 0.006 0.000 0.244 170 I C 2.294 178.384 176.117 -0.046 0.000 1.075 170 I CA 1.067 62.344 61.300 -0.038 0.000 1.332 170 I CB -1.425 36.516 38.000 -0.098 0.000 1.033 170 I HN 0.339 nan 8.210 nan 0.000 0.410 171 A N -0.103 122.683 122.820 -0.056 0.000 1.978 171 A HA -0.209 4.115 4.320 0.006 0.000 0.220 171 A C 2.252 179.809 177.584 -0.046 0.000 1.170 171 A CA 1.309 53.312 52.037 -0.057 0.000 0.636 171 A CB -0.360 18.606 19.000 -0.058 0.000 0.810 171 A HN 0.451 nan 8.150 nan 0.000 0.448 172 Q N -0.205 119.583 119.800 -0.021 0.000 2.008 172 Q HA -0.067 4.277 4.340 0.006 0.000 0.196 172 Q C 2.261 178.283 176.000 0.037 0.000 0.973 172 Q CA 1.634 57.443 55.803 0.009 0.000 0.826 172 Q CB -0.536 28.225 28.738 0.038 0.000 0.894 172 Q HN 0.926 nan 8.270 nan 0.000 0.439 173 I N -1.705 118.898 120.570 0.055 0.000 2.756 173 I HA -0.075 4.099 4.170 0.006 0.000 0.262 173 I C 1.732 177.866 176.117 0.029 0.000 1.225 173 I CA 0.863 62.215 61.300 0.086 0.000 1.472 173 I CB -0.231 37.812 38.000 0.072 0.000 1.094 173 I HN -0.147 nan 8.210 nan 0.000 0.454 174 S N 1.805 117.493 115.700 -0.020 0.000 2.423 174 S HA -0.050 4.424 4.470 0.006 0.000 0.231 174 S C 1.952 176.507 174.600 -0.074 0.000 1.014 174 S CA 1.196 59.375 58.200 -0.035 0.000 0.965 174 S CB -0.272 62.902 63.200 -0.042 0.000 0.785 174 S HN 0.626 nan 8.310 nan 0.000 0.495 175 R N 0.361 120.758 120.500 -0.171 0.000 2.193 175 R HA 0.112 4.456 4.340 0.006 0.000 0.213 175 R C 1.382 177.473 176.300 -0.348 0.000 1.055 175 R CA 0.958 56.884 56.100 -0.290 0.000 0.995 175 R CB -0.352 29.692 30.300 -0.426 0.000 0.893 175 R HN 0.470 nan 8.270 nan 0.000 0.459 176 H N 0.153 119.221 119.070 -0.003 0.000 2.654 176 H HA 0.256 4.816 4.556 0.006 0.000 0.264 176 H C 0.543 175.866 175.328 -0.008 0.000 0.954 176 H CA -0.035 56.009 56.048 -0.007 0.000 1.199 176 H CB 0.504 30.253 29.762 -0.022 0.000 1.446 176 H HN 0.028 nan 8.280 nan 0.000 0.516 177 L N 1.788 123.057 121.223 0.077 0.000 2.350 177 L HA 0.066 4.409 4.340 0.006 0.000 0.275 177 L C 1.187 178.077 176.870 0.034 0.000 1.099 177 L CA -0.325 54.532 54.840 0.027 0.000 0.808 177 L CB 1.227 43.284 42.059 -0.004 0.000 1.149 177 L HN 0.001 nan 8.230 nan 0.000 0.442 178 D N 2.238 122.653 120.400 0.024 0.000 2.149 178 D HA -0.017 4.627 4.640 0.006 0.000 0.201 178 D C -0.144 176.305 176.300 0.249 0.000 0.972 178 D CA 1.483 55.559 54.000 0.127 0.000 0.835 178 D CB 0.268 41.176 40.800 0.180 0.000 0.966 178 D HN 0.341 nan 8.370 nan 0.000 0.476 179 F N -1.238 118.730 119.950 0.029 0.000 2.678 179 F HA 0.519 5.050 4.527 0.006 0.000 0.308 179 F C -1.590 174.228 175.800 0.029 0.000 1.118 179 F CA -1.384 56.623 58.000 0.012 0.000 0.959 179 F CB 0.912 39.898 39.000 -0.024 0.000 1.305 179 F HN -0.383 nan 8.300 nan 0.000 0.443 180 I N 2.147 122.861 120.570 0.240 0.000 2.418 180 I HA 0.410 4.584 4.170 0.006 0.000 0.287 180 I C -0.639 175.601 176.117 0.206 0.000 1.008 180 I CA -0.794 60.586 61.300 0.132 0.000 1.104 180 I CB 2.093 40.126 38.000 0.056 0.000 1.264 180 I HN 0.617 nan 8.210 nan 0.000 0.438 181 S N 6.792 122.619 115.700 0.212 0.000 2.438 181 S HA 0.478 4.952 4.470 0.006 0.000 0.293 181 S C -0.173 174.502 174.600 0.125 0.000 1.141 181 S CA -0.553 57.790 58.200 0.239 0.000 1.080 181 S CB 0.767 64.184 63.200 0.361 0.000 0.978 181 S HN 0.379 nan 8.310 nan 0.000 0.479 182 L N 4.363 125.643 121.223 0.095 0.000 2.278 182 L HA 0.306 4.650 4.340 0.006 0.000 0.287 182 L C -0.031 176.799 176.870 -0.066 0.000 1.072 182 L CA -0.388 54.460 54.840 0.014 0.000 0.819 182 L CB 0.571 42.656 42.059 0.043 0.000 1.176 182 L HN 0.567 nan 8.230 nan 0.000 0.435 183 L N 4.358 125.467 121.223 -0.190 0.000 2.511 183 L HA 0.024 4.368 4.340 0.006 0.000 0.239 183 L C 1.123 177.595 176.870 -0.662 0.000 1.400 183 L CA -0.139 54.382 54.840 -0.532 0.000 1.226 183 L CB -0.711 41.127 42.059 -0.368 0.000 1.475 183 L HN 0.672 nan 8.230 nan 0.000 0.428 184 T N -2.996 111.312 114.554 -0.410 0.000 3.667 184 T HA 0.023 4.377 4.350 0.006 0.000 0.240 184 T C 0.407 175.071 174.700 -0.060 0.000 0.919 184 T CA -0.170 61.835 62.100 -0.158 0.000 0.928 184 T CB -0.763 68.203 68.868 0.164 0.000 1.151 184 T HN 0.522 nan 8.240 nan 0.000 0.644 185 Y N -2.242 118.006 120.300 -0.086 0.000 2.809 185 Y HA 0.587 5.141 4.550 0.006 0.000 0.251 185 Y C -0.314 175.666 175.900 0.133 0.000 1.136 185 Y CA -2.140 56.003 58.100 0.072 0.000 1.185 185 Y CB -0.415 38.134 38.460 0.149 0.000 1.260 185 Y HN 0.270 nan 8.280 nan 0.000 0.576 186 D N 0.375 120.706 120.400 -0.116 0.000 2.749 186 D HA 0.342 4.986 4.640 0.006 0.000 0.338 186 D C -0.452 175.777 176.300 -0.117 0.000 1.236 186 D CA -0.155 53.872 54.000 0.045 0.000 0.845 186 D CB -0.193 40.635 40.800 0.046 0.000 1.080 186 D HN 0.182 nan 8.370 nan 0.000 0.497 187 F N -0.104 120.025 119.950 0.298 0.000 2.678 187 F HA 0.225 4.756 4.527 0.006 0.000 0.305 187 F C 0.691 176.669 175.800 0.297 0.000 1.090 187 F CA -0.106 58.041 58.000 0.245 0.000 1.272 187 F CB 0.329 39.440 39.000 0.184 0.000 1.060 187 F HN 0.298 nan 8.300 nan 0.000 0.576 188 H N 0.101 119.391 119.070 0.367 0.000 2.792 188 H HA 0.396 4.956 4.556 0.006 0.000 0.298 188 H C 0.250 175.703 175.328 0.208 0.000 1.042 188 H CA -0.460 55.735 56.048 0.245 0.000 1.300 188 H CB 1.045 30.964 29.762 0.261 0.000 1.431 188 H HN 0.206 nan 8.280 nan 0.000 0.496 189 G N 2.355 111.137 108.800 -0.030 0.000 2.272 189 G HA2 0.127 4.091 3.960 0.006 0.000 0.247 189 G HA3 0.127 4.091 3.960 0.006 0.000 0.247 189 G C 1.054 175.904 174.900 -0.084 0.000 1.272 189 G CA 0.213 45.402 45.100 0.148 0.000 0.921 189 G HN 0.791 nan 8.290 nan 0.000 0.495 190 A N 3.933 126.843 122.820 0.149 0.000 2.234 190 A HA -0.092 4.232 4.320 0.006 0.000 0.216 190 A C 1.883 179.531 177.584 0.107 0.000 1.167 190 A CA 1.498 53.612 52.037 0.127 0.000 0.698 190 A CB -0.538 18.546 19.000 0.140 0.000 0.779 190 A HN 0.999 nan 8.150 nan 0.000 0.475 191 W N -0.736 120.560 121.300 -0.006 0.000 2.436 191 W HA 0.131 4.795 4.660 0.007 0.000 0.284 191 W C 0.518 177.012 176.519 -0.041 0.000 1.225 191 W CA 0.150 57.484 57.345 -0.018 0.000 1.271 191 W CB -0.456 28.990 29.460 -0.023 0.000 1.114 191 W HN 0.040 nan 8.180 nan 0.000 0.559 192 R N 1.848 121.892 120.500 -0.760 0.000 2.573 192 R HA 0.137 4.480 4.340 0.006 0.000 0.272 192 R C 0.554 176.627 176.300 -0.379 0.000 1.009 192 R CA -0.521 55.174 56.100 -0.675 0.000 1.059 192 R CB 1.115 30.716 30.300 -1.166 0.000 1.112 192 R HN 0.231 nan 8.270 nan 0.000 0.517 193 Q N -0.945 118.694 119.800 -0.268 0.000 2.375 193 Q HA 0.234 4.578 4.340 0.006 0.000 0.316 193 Q C -0.650 175.207 176.000 -0.239 0.000 0.927 193 Q CA -0.402 55.285 55.803 -0.193 0.000 1.029 193 Q CB 0.368 29.039 28.738 -0.112 0.000 1.202 193 Q HN 0.529 nan 8.270 nan 0.000 0.431 194 T N -3.372 111.003 114.554 -0.299 0.000 2.907 194 T HA 0.596 4.949 4.350 0.006 0.000 0.290 194 T C -0.323 174.057 174.700 -0.533 0.000 1.066 194 T CA -0.884 61.013 62.100 -0.339 0.000 1.012 194 T CB 1.528 70.240 68.868 -0.259 0.000 1.184 194 T HN 0.052 nan 8.240 nan 0.000 0.522 195 V N 0.784 120.256 119.914 -0.736 0.000 2.546 195 V HA 0.734 4.858 4.120 0.006 0.000 0.284 195 V C 0.684 176.138 176.094 -1.066 0.000 1.050 195 V CA 0.594 62.157 62.300 -1.229 0.000 0.981 195 V CB 0.971 31.882 31.823 -1.519 0.000 0.990 195 V HN 1.322 nan 8.190 nan 0.000 0.474 196 G N 3.018 111.095 108.800 -1.204 0.000 2.673 196 G HA2 0.346 4.309 3.960 0.006 0.000 0.292 196 G HA3 0.346 4.309 3.960 0.006 0.000 0.292 196 G C -1.738 173.078 174.900 -0.140 0.000 1.450 196 G CA -0.608 43.973 45.100 -0.865 0.000 0.837 196 G HN 0.638 nan 8.290 nan 0.000 0.505 197 H N 0.134 119.256 119.070 0.087 0.000 2.562 197 H HA 0.225 4.785 4.556 0.007 0.000 0.314 197 H C 1.372 176.868 175.328 0.281 0.000 1.079 197 H CA 0.160 56.410 56.048 0.337 0.000 1.349 197 H CB 1.280 31.250 29.762 0.347 0.000 1.432 197 H HN 0.827 nan 8.280 nan 0.000 0.479 198 H N 1.137 120.416 119.070 0.348 0.000 2.547 198 H HA 0.047 4.606 4.556 0.006 0.000 0.272 198 H C 0.413 176.059 175.328 0.529 0.000 0.989 198 H CA 0.648 56.950 56.048 0.424 0.000 1.214 198 H CB 0.445 30.392 29.762 0.308 0.000 1.389 198 H HN 0.292 nan 8.280 nan 0.000 0.577 199 S N -0.189 115.607 115.700 0.160 0.000 2.665 199 S HA 0.309 4.783 4.470 0.006 0.000 0.235 199 S C -2.899 171.724 174.600 0.038 0.000 1.084 199 S CA -1.311 56.992 58.200 0.171 0.000 1.151 199 S CB 0.576 63.744 63.200 -0.053 0.000 1.151 199 S HN 0.162 nan 8.310 nan 0.000 0.461 200 P HA 0.146 nan 4.420 nan 0.000 0.271 200 P C 0.754 177.909 177.300 -0.241 0.000 1.218 200 P CA -0.512 62.473 63.100 -0.192 0.000 0.780 200 P CB 1.240 32.838 31.700 -0.170 0.000 0.901 201 L N 2.950 123.976 121.223 -0.327 0.000 2.102 201 L HA 0.242 4.585 4.340 0.006 0.000 0.202 201 L C 0.479 176.909 176.870 -0.734 0.000 1.076 201 L CA 1.647 56.131 54.840 -0.594 0.000 0.761 201 L CB -0.727 40.899 42.059 -0.722 0.000 0.921 201 L HN 0.186 nan 8.230 nan 0.000 0.444 202 F N -0.534 119.296 119.950 -0.200 0.000 2.557 202 F HA 0.398 4.929 4.527 0.006 0.000 0.336 202 F C 1.741 177.445 175.800 -0.161 0.000 1.058 202 F CA -0.666 57.239 58.000 -0.159 0.000 0.988 202 F CB 0.752 39.690 39.000 -0.103 0.000 1.275 202 F HN -0.111 nan 8.300 nan 0.000 0.488 203 R N 1.038 121.608 120.500 0.116 0.000 2.127 203 R HA 0.148 4.492 4.340 0.006 0.000 0.238 203 R C 0.441 176.698 176.300 -0.072 0.000 1.134 203 R CA 0.882 56.965 56.100 -0.028 0.000 0.975 203 R CB -0.873 29.413 30.300 -0.023 0.000 0.865 203 R HN 0.914 nan 8.270 nan 0.000 0.447 204 G N 1.751 110.530 108.800 -0.035 0.000 2.940 204 G HA2 -0.188 3.776 3.960 0.006 0.000 0.273 204 G HA3 -0.188 3.776 3.960 0.006 0.000 0.273 204 G C -0.540 174.316 174.900 -0.073 0.000 1.030 204 G CA -0.101 44.958 45.100 -0.070 0.000 1.066 204 G HN 0.279 nan 8.290 nan 0.000 0.466 205 N N -0.005 118.664 118.700 -0.053 0.000 2.580 205 N HA -0.059 4.685 4.740 0.006 0.000 0.193 205 N C 1.426 176.904 175.510 -0.053 0.000 1.075 205 N CA 1.480 54.498 53.050 -0.053 0.000 0.921 205 N CB 0.123 38.584 38.487 -0.043 0.000 0.950 205 N HN 0.455 nan 8.380 nan 0.000 0.449 206 S N 0.258 115.923 115.700 -0.058 0.000 2.514 206 S HA 0.251 4.725 4.470 0.006 0.000 0.179 206 S C -0.996 173.556 174.600 -0.079 0.000 1.409 206 S CA -0.583 57.583 58.200 -0.056 0.000 1.138 206 S CB 0.274 63.453 63.200 -0.034 0.000 1.217 206 S HN 0.256 nan 8.310 nan 0.000 0.493 207 D N -0.085 120.263 120.400 -0.087 0.000 2.145 207 D HA 0.219 4.863 4.640 0.006 0.000 0.157 207 D C 0.325 176.557 176.300 -0.114 0.000 1.106 207 D CA -0.223 53.717 54.000 -0.101 0.000 0.890 207 D CB 0.110 40.838 40.800 -0.121 0.000 3.058 207 D HN 0.214 nan 8.370 nan 0.000 0.495 208 A N 2.271 125.028 122.820 -0.104 0.000 2.066 208 A HA 0.241 4.565 4.320 0.006 0.000 0.218 208 A C 1.156 178.644 177.584 -0.159 0.000 1.157 208 A CA 0.871 52.837 52.037 -0.118 0.000 0.670 208 A CB 0.182 19.128 19.000 -0.090 0.000 0.804 208 A HN 0.335 nan 8.150 nan 0.000 0.453 209 S N -1.165 114.444 115.700 -0.153 0.000 2.704 209 S HA 0.576 5.050 4.470 0.006 0.000 0.305 209 S C 0.318 174.790 174.600 -0.213 0.000 1.107 209 S CA 0.440 58.532 58.200 -0.179 0.000 0.993 209 S CB 0.833 63.973 63.200 -0.100 0.000 1.110 209 S HN 1.974 nan 8.310 nan 0.000 0.534 213 F N 0.429 120.069 119.950 -0.516 0.000 2.754 213 F HA 0.385 4.915 4.527 0.006 0.000 0.297 213 F C 1.024 176.604 175.800 -0.367 0.000 1.122 213 F CA 0.278 57.845 58.000 -0.723 0.000 1.400 213 F CB 0.356 38.996 39.000 -0.600 0.000 1.117 213 F HN -0.219 nan 8.300 nan 0.000 0.587 214 S N 1.792 117.373 115.700 -0.199 0.000 3.983 214 S HA 0.249 4.723 4.470 0.006 0.000 0.194 214 S C -0.341 173.629 174.600 -1.050 0.000 1.464 214 S CA -0.454 57.481 58.200 -0.441 0.000 1.021 214 S CB -1.372 61.831 63.200 0.004 0.000 1.424 214 S HN 0.541 nan 8.310 nan 0.000 0.473 215 N N -1.340 116.596 118.700 -1.273 0.000 2.598 215 N HA 0.569 5.313 4.740 0.006 0.000 0.263 215 N C 0.428 175.570 175.510 -0.613 0.000 1.254 215 N CA -0.646 51.852 53.050 -0.919 0.000 0.863 215 N CB 0.498 38.748 38.487 -0.396 0.000 1.586 215 N HN -0.061 nan 8.380 nan 0.000 0.491 216 A N 0.759 123.388 122.820 -0.319 0.000 1.892 216 A HA -0.281 4.043 4.320 0.006 0.000 0.218 216 A C 1.686 179.188 177.584 -0.136 0.000 1.188 216 A CA 2.447 54.426 52.037 -0.096 0.000 0.631 216 A CB -1.358 17.528 19.000 -0.189 0.000 0.822 216 A HN 0.954 nan 8.150 nan 0.000 0.447 217 D N -2.194 118.016 120.400 -0.316 0.000 2.116 217 D HA -0.257 4.387 4.640 0.006 0.000 0.193 217 D C 1.749 178.114 176.300 0.107 0.000 0.998 217 D CA 1.919 55.855 54.000 -0.107 0.000 0.836 217 D CB -0.285 40.486 40.800 -0.048 0.000 0.951 217 D HN 0.548 nan 8.370 nan 0.000 0.449 218 Y N 0.573 120.873 120.300 0.000 0.000 2.163 218 Y HA -0.099 4.455 4.550 0.006 0.000 0.288 218 Y C 2.278 178.248 175.900 0.116 0.000 1.136 218 Y CA 1.882 60.021 58.100 0.065 0.000 1.147 218 Y CB -0.759 37.721 38.460 0.034 0.000 0.987 218 Y HN 0.069 nan 8.280 nan 0.000 0.509 219 A N -0.546 122.405 122.820 0.218 0.000 1.892 219 A HA -0.232 4.091 4.320 0.006 0.000 0.218 219 A C 2.322 179.983 177.584 0.128 0.000 1.188 219 A CA 2.437 54.610 52.037 0.227 0.000 0.631 219 A CB -1.419 17.781 19.000 0.332 0.000 0.822 219 A HN 0.355 nan 8.150 nan 0.000 0.447 220 V N -0.248 119.738 119.914 0.120 0.000 2.307 220 V HA -0.203 3.920 4.120 0.006 0.000 0.245 220 V C 2.771 178.898 176.094 0.054 0.000 1.045 220 V CA 2.264 64.632 62.300 0.112 0.000 1.024 220 V CB -0.849 31.097 31.823 0.204 0.000 0.651 220 V HN 0.575 nan 8.190 nan 0.000 0.449 221 S N -1.060 114.654 115.700 0.024 0.000 2.383 221 S HA -0.233 4.240 4.470 0.006 0.000 0.229 221 S C 1.885 176.454 174.600 -0.051 0.000 1.030 221 S CA 1.829 60.014 58.200 -0.025 0.000 1.002 221 S CB -0.460 62.704 63.200 -0.059 0.000 0.829 221 S HN 0.636 nan 8.310 nan 0.000 0.467 222 Y N 2.103 122.225 120.300 -0.296 0.000 2.133 222 Y HA -0.072 4.481 4.550 0.006 0.000 0.287 222 Y C 2.330 178.151 175.900 -0.130 0.000 1.134 222 Y CA 1.173 59.115 58.100 -0.263 0.000 1.133 222 Y CB -0.467 37.804 38.460 -0.314 0.000 0.987 222 Y HN 0.108 nan 8.280 nan 0.000 0.502 223 M N -0.375 119.189 119.600 -0.061 0.000 2.108 223 M HA -0.251 4.233 4.480 0.006 0.000 0.261 223 M C 2.314 178.540 176.300 -0.123 0.000 1.066 223 M CA 1.582 56.809 55.300 -0.122 0.000 1.107 223 M CB -1.418 31.157 32.600 -0.042 0.000 1.356 223 M HN 0.345 nan 8.290 nan 0.000 0.406 224 L N -0.996 120.183 121.223 -0.072 0.000 2.191 224 L HA -0.206 4.138 4.340 0.006 0.000 0.212 224 L C 2.814 179.632 176.870 -0.087 0.000 1.103 224 L CA 0.873 55.677 54.840 -0.061 0.000 0.769 224 L CB -0.598 41.442 42.059 -0.031 0.000 0.908 224 L HN 0.283 nan 8.230 nan 0.000 0.438 225 R N 0.278 120.705 120.500 -0.122 0.000 2.075 225 R HA -0.056 4.288 4.340 0.006 0.000 0.226 225 R C 1.998 178.188 176.300 -0.184 0.000 1.114 225 R CA 1.055 57.077 56.100 -0.130 0.000 0.972 225 R CB -0.356 29.877 30.300 -0.112 0.000 0.869 225 R HN 0.231 nan 8.270 nan 0.000 0.437 226 L N -0.057 120.987 121.223 -0.298 0.000 2.549 226 L HA -0.006 4.337 4.340 0.006 0.000 0.230 226 L C 1.238 178.009 176.870 -0.166 0.000 1.162 226 L CA 1.928 56.598 54.840 -0.283 0.000 0.834 226 L CB -0.981 40.846 42.059 -0.387 0.000 0.947 226 L HN 0.591 nan 8.230 nan 0.000 0.452 227 G N -1.651 107.071 108.800 -0.130 0.000 2.205 227 G HA2 -0.147 3.817 3.960 0.006 0.000 0.180 227 G HA3 -0.147 3.817 3.960 0.006 0.000 0.180 227 G C 0.490 175.346 174.900 -0.074 0.000 1.004 227 G CA -0.048 44.998 45.100 -0.089 0.000 0.670 227 G HN 0.572 nan 8.290 nan 0.000 0.496 228 A N 1.184 123.956 122.820 -0.079 0.000 2.451 228 A HA 0.672 4.996 4.320 0.006 0.000 0.266 228 A C -1.734 175.828 177.584 -0.036 0.000 1.119 228 A CA -0.794 51.210 52.037 -0.054 0.000 0.786 228 A CB 0.126 19.094 19.000 -0.054 0.000 1.061 228 A HN 0.141 nan 8.150 nan 0.000 0.503 229 P HA 0.225 nan 4.420 nan 0.000 0.271 229 P C 0.816 178.115 177.300 -0.002 0.000 1.216 229 P CA 0.319 63.410 63.100 -0.016 0.000 0.776 229 P CB 1.109 32.801 31.700 -0.013 0.000 0.881 230 A N 3.857 126.676 122.820 -0.002 0.000 1.972 230 A HA -0.213 4.111 4.320 0.006 0.000 0.219 230 A C 1.563 179.159 177.584 0.020 0.000 1.169 230 A CA 1.850 53.893 52.037 0.009 0.000 0.635 230 A CB -1.289 17.712 19.000 0.003 0.000 0.810 230 A HN 0.699 nan 8.150 nan 0.000 0.446 231 N N -0.731 117.975 118.700 0.010 0.000 2.521 231 N HA -0.039 4.705 4.740 0.006 0.000 0.188 231 N C 0.888 176.415 175.510 0.029 0.000 1.146 231 N CA 1.034 54.090 53.050 0.009 0.000 0.893 231 N CB -0.123 38.359 38.487 -0.008 0.000 0.975 231 N HN 0.532 nan 8.380 nan 0.000 0.451 232 K N -0.506 119.921 120.400 0.045 0.000 2.391 232 K HA 0.260 4.584 4.320 0.006 0.000 0.197 232 K C -0.025 176.640 176.600 0.108 0.000 1.087 232 K CA -0.237 56.101 56.287 0.085 0.000 1.012 232 K CB 0.738 33.279 32.500 0.069 0.000 0.925 232 K HN 0.150 nan 8.250 nan 0.000 0.547 233 L N 2.570 123.839 121.223 0.076 0.000 2.360 233 L HA 0.152 4.495 4.340 0.006 0.000 0.276 233 L C -0.557 176.372 176.870 0.098 0.000 1.121 233 L CA -0.233 54.657 54.840 0.083 0.000 0.845 233 L CB 1.110 43.205 42.059 0.059 0.000 1.143 233 L HN -0.188 nan 8.230 nan 0.000 0.452 234 V N 5.817 125.806 119.914 0.126 0.000 2.444 234 V HA 0.299 4.423 4.120 0.006 0.000 0.294 234 V C 0.162 176.341 176.094 0.142 0.000 1.022 234 V CA -0.454 61.919 62.300 0.122 0.000 0.850 234 V CB 1.873 33.770 31.823 0.123 0.000 0.992 234 V HN 0.731 nan 8.190 nan 0.000 0.426 235 M N 4.015 123.698 119.600 0.137 0.000 2.146 235 M HA 0.497 4.981 4.480 0.006 0.000 0.357 235 M C 0.697 177.109 176.300 0.187 0.000 1.261 235 M CA -0.149 55.242 55.300 0.151 0.000 1.106 235 M CB 0.691 33.385 32.600 0.156 0.000 1.612 235 M HN 0.805 nan 8.290 nan 0.000 0.470 236 G N 6.046 114.972 108.800 0.209 0.000 2.403 236 G HA2 0.499 4.463 3.960 0.006 0.000 0.259 236 G HA3 0.499 4.463 3.960 0.006 0.000 0.259 236 G C -0.753 174.387 174.900 0.401 0.000 1.244 236 G CA -0.529 44.781 45.100 0.349 0.000 0.849 236 G HN 0.796 nan 8.290 nan 0.000 0.532 237 I N 4.540 125.348 120.570 0.397 0.000 2.447 237 I HA 0.283 4.457 4.170 0.006 0.000 0.287 237 I C -2.072 174.162 176.117 0.195 0.000 1.023 237 I CA -2.302 59.153 61.300 0.258 0.000 1.083 237 I CB 3.134 41.222 38.000 0.145 0.000 1.245 237 I HN 0.346 nan 8.210 nan 0.000 0.434 238 P HA 0.103 nan 4.420 nan 0.000 0.278 238 P C -0.030 177.201 177.300 -0.114 0.000 1.238 238 P CA -0.105 62.852 63.100 -0.239 0.000 0.794 238 P CB 1.797 33.135 31.700 -0.604 0.000 0.955 239 T N 1.540 116.099 114.554 0.009 0.000 3.084 239 T HA 0.320 4.674 4.350 0.006 0.000 0.270 239 T C -0.008 174.801 174.700 0.180 0.000 1.008 239 T CA -0.256 61.889 62.100 0.076 0.000 0.900 239 T CB -0.586 68.360 68.868 0.131 0.000 1.084 239 T HN 0.427 nan 8.240 nan 0.000 0.538 240 F N -0.923 119.085 119.950 0.097 0.000 2.654 240 F HA 0.915 5.445 4.527 0.006 0.000 0.334 240 F C 0.094 175.959 175.800 0.107 0.000 1.078 240 F CA -1.499 56.539 58.000 0.063 0.000 0.986 240 F CB 0.705 39.710 39.000 0.009 0.000 1.362 240 F HN -0.108 nan 8.300 nan 0.000 0.498 241 G N 0.089 108.999 108.800 0.182 0.000 2.569 241 G HA2 0.661 4.625 3.960 0.006 0.000 0.300 241 G HA3 0.661 4.625 3.960 0.006 0.000 0.300 241 G C -1.800 173.076 174.900 -0.039 0.000 1.269 241 G CA -1.390 43.739 45.100 0.048 0.000 0.959 241 G HN 0.691 nan 8.290 nan 0.000 0.478 242 R N 0.288 120.639 120.500 -0.249 0.000 2.437 242 R HA 0.530 4.874 4.340 0.006 0.000 0.310 242 R C -0.231 175.858 176.300 -0.352 0.000 0.955 242 R CA -0.495 55.406 56.100 -0.330 0.000 0.851 242 R CB 1.926 31.952 30.300 -0.457 0.000 1.161 242 R HN 0.680 nan 8.270 nan 0.000 0.446 243 S N 2.115 117.563 115.700 -0.420 0.000 2.651 243 S HA 0.714 5.188 4.470 0.006 0.000 0.291 243 S C -0.561 173.724 174.600 -0.525 0.000 1.141 243 S CA -0.619 57.383 58.200 -0.330 0.000 1.027 243 S CB 1.081 64.148 63.200 -0.221 0.000 1.043 243 S HN 0.361 nan 8.310 nan 0.000 0.530 244 F N -0.385 119.661 119.950 0.161 0.000 2.591 244 F HA 0.442 4.972 4.527 0.005 0.000 0.309 244 F C 0.199 176.080 175.800 0.134 0.000 1.098 244 F CA -0.658 57.420 58.000 0.130 0.000 0.937 244 F CB 2.324 41.390 39.000 0.110 0.000 1.250 244 F HN 0.517 nan 8.300 nan 0.000 0.447 245 T N 4.254 118.975 114.554 0.278 0.000 2.771 245 T HA 0.516 4.870 4.350 0.006 0.000 0.291 245 T C 0.077 174.873 174.700 0.161 0.000 0.954 245 T CA -0.470 61.745 62.100 0.191 0.000 1.045 245 T CB 0.351 69.295 68.868 0.127 0.000 0.917 245 T HN 0.297 nan 8.240 nan 0.000 0.484 246 L N 2.221 123.533 121.223 0.148 0.000 2.417 246 L HA 0.390 4.734 4.340 0.006 0.000 0.268 246 L C 1.428 178.326 176.870 0.046 0.000 1.158 246 L CA -0.490 54.396 54.840 0.077 0.000 0.819 246 L CB 0.496 42.615 42.059 0.099 0.000 1.112 246 L HN 0.771 nan 8.230 nan 0.000 0.458 247 A N 1.297 124.120 122.820 0.005 0.000 2.220 247 A HA 0.215 4.539 4.320 0.006 0.000 0.211 247 A C 0.774 178.361 177.584 0.004 0.000 1.176 247 A CA 0.694 52.733 52.037 0.003 0.000 0.834 247 A CB 0.041 19.030 19.000 -0.018 0.000 0.868 247 A HN 0.743 nan 8.150 nan 0.000 0.488 248 S N -1.918 113.785 115.700 0.004 0.000 2.776 248 S HA 0.387 4.861 4.470 0.006 0.000 0.292 248 S C 0.561 175.178 174.600 0.028 0.000 1.187 248 S CA 0.424 58.630 58.200 0.010 0.000 0.834 248 S CB 0.711 63.907 63.200 -0.007 0.000 1.199 248 S HN 0.569 nan 8.310 nan 0.000 0.514 249 S N -0.607 115.112 115.700 0.032 0.000 2.603 249 S HA 0.182 4.655 4.470 0.006 0.000 0.220 249 S C 0.448 175.081 174.600 0.056 0.000 0.967 249 S CA -0.073 58.158 58.200 0.052 0.000 0.920 249 S CB -0.641 62.588 63.200 0.047 0.000 0.773 249 S HN 0.732 nan 8.310 nan 0.000 0.529 250 K N 1.457 121.874 120.400 0.029 0.000 2.368 250 K HA 0.199 4.523 4.320 0.006 0.000 0.282 250 K C 0.705 177.325 176.600 0.034 0.000 1.035 250 K CA 0.241 56.539 56.287 0.019 0.000 0.973 250 K CB 0.596 33.084 32.500 -0.020 0.000 0.957 250 K HN 0.063 nan 8.250 nan 0.000 0.474 251 T N 2.304 116.909 114.554 0.085 0.000 2.975 251 T HA 0.027 4.380 4.350 0.006 0.000 0.257 251 T C -0.054 174.759 174.700 0.188 0.000 1.003 251 T CA -0.057 62.158 62.100 0.191 0.000 0.932 251 T CB 0.045 69.104 68.868 0.319 0.000 1.087 251 T HN 0.822 nan 8.240 nan 0.000 0.512 252 D N 1.507 121.953 120.400 0.077 0.000 2.478 252 D HA 0.271 4.914 4.640 0.006 0.000 0.274 252 D C 0.506 176.786 176.300 -0.034 0.000 1.234 252 D CA -0.423 53.622 54.000 0.075 0.000 1.069 252 D CB 0.451 41.291 40.800 0.067 0.000 1.113 252 D HN 0.187 nan 8.370 nan 0.000 0.571 253 V N -3.732 116.203 119.914 0.034 0.000 2.928 253 V HA 0.308 4.432 4.120 0.006 0.000 0.307 253 V C 1.620 177.634 176.094 -0.133 0.000 1.105 253 V CA 0.302 62.571 62.300 -0.052 0.000 1.223 253 V CB -0.391 31.425 31.823 -0.012 0.000 0.930 253 V HN 1.084 nan 8.190 nan 0.000 0.499 254 G N 1.747 110.423 108.800 -0.206 0.000 2.189 254 G HA2 -0.118 3.846 3.960 0.006 0.000 0.267 254 G HA3 -0.118 3.846 3.960 0.006 0.000 0.267 254 G C 0.611 175.384 174.900 -0.212 0.000 0.975 254 G CA 0.305 45.290 45.100 -0.193 0.000 0.644 254 G HN 2.299 nan 8.290 nan 0.000 0.537 255 A N 1.571 124.240 122.820 -0.251 0.000 2.561 255 A HA 0.524 4.847 4.320 0.006 0.000 0.234 255 A C -0.755 176.669 177.584 -0.268 0.000 1.055 255 A CA 0.247 52.144 52.037 -0.232 0.000 0.756 255 A CB 0.221 19.066 19.000 -0.258 0.000 0.986 255 A HN 0.396 nan 8.150 nan 0.000 0.505 256 P HA 0.384 nan 4.420 nan 0.000 0.274 256 P C -0.808 176.385 177.300 -0.178 0.000 1.237 256 P CA -0.147 62.849 63.100 -0.172 0.000 0.793 256 P CB 0.898 32.534 31.700 -0.106 0.000 0.977 257 I N 1.259 121.729 120.570 -0.166 0.000 2.740 257 I HA 0.168 4.341 4.170 0.006 0.000 0.303 257 I C 1.477 177.572 176.117 -0.037 0.000 1.044 257 I CA -0.644 60.586 61.300 -0.116 0.000 1.064 257 I CB 1.452 39.342 38.000 -0.184 0.000 1.249 257 I HN 0.478 nan 8.210 nan 0.000 0.433 258 S N 2.110 117.821 115.700 0.018 0.000 2.524 258 S HA 0.534 5.008 4.470 0.006 0.000 0.222 258 S C 0.499 175.132 174.600 0.054 0.000 1.040 258 S CA 0.515 58.733 58.200 0.029 0.000 0.915 258 S CB 0.658 63.879 63.200 0.035 0.000 0.831 258 S HN 1.067 nan 8.310 nan 0.000 0.492 259 G N 0.687 109.544 108.800 0.096 0.000 2.327 259 G HA2 0.430 4.394 3.960 0.006 0.000 0.291 259 G HA3 0.430 4.394 3.960 0.006 0.000 0.291 259 G C -3.578 171.425 174.900 0.172 0.000 1.290 259 G CA -0.710 44.458 45.100 0.114 0.000 0.857 259 G HN 0.157 nan 8.290 nan 0.000 0.520 260 P HA 0.436 nan 4.420 nan 0.000 0.274 260 P C 0.690 178.008 177.300 0.029 0.000 1.246 260 P CA 0.325 63.444 63.100 0.031 0.000 0.795 260 P CB 0.638 32.316 31.700 -0.037 0.000 1.006 261 G N 0.794 109.574 108.800 -0.033 0.000 2.606 261 G HA2 0.385 4.349 3.960 0.006 0.000 0.252 261 G HA3 0.385 4.349 3.960 0.006 0.000 0.252 261 G C 0.222 175.119 174.900 -0.005 0.000 1.206 261 G CA -0.746 44.359 45.100 0.008 0.000 0.861 261 G HN 0.661 nan 8.290 nan 0.000 0.561 262 I N -0.691 119.894 120.570 0.025 0.000 2.813 262 I HA 0.272 4.446 4.170 0.006 0.000 0.287 262 I C -2.193 173.921 176.117 -0.005 0.000 1.196 262 I CA -1.497 59.815 61.300 0.020 0.000 1.421 262 I CB 0.341 38.366 38.000 0.043 0.000 1.365 262 I HN 0.151 nan 8.210 nan 0.000 0.591 263 P HA 0.150 nan 4.420 nan 0.000 0.269 263 P C -0.057 177.237 177.300 -0.011 0.000 1.217 263 P CA -0.114 62.975 63.100 -0.018 0.000 0.783 263 P CB 0.440 32.134 31.700 -0.011 0.000 0.898 264 G N 0.765 109.557 108.800 -0.015 0.000 2.448 264 G HA2 0.117 4.081 3.960 0.006 0.000 0.285 264 G HA3 0.117 4.081 3.960 0.006 0.000 0.285 264 G C 0.750 175.650 174.900 -0.001 0.000 1.176 264 G CA -0.497 44.604 45.100 0.002 0.000 0.852 264 G HN 0.394 nan 8.290 nan 0.000 0.530 265 R N 0.629 121.106 120.500 -0.039 0.000 2.127 265 R HA -0.066 4.278 4.340 0.006 0.000 0.238 265 R C 1.411 177.531 176.300 -0.300 0.000 1.134 265 R CA 1.460 57.430 56.100 -0.216 0.000 0.975 265 R CB -0.102 29.962 30.300 -0.393 0.000 0.865 265 R HN 0.642 nan 8.270 nan 0.000 0.447 266 F N -2.391 117.621 119.950 0.104 0.000 2.559 266 F HA 0.121 4.652 4.527 0.008 0.000 0.286 266 F C 2.323 178.198 175.800 0.124 0.000 1.108 266 F CA 0.366 58.454 58.000 0.147 0.000 1.436 266 F CB 0.003 39.151 39.000 0.247 0.000 1.130 266 F HN -0.153 nan 8.300 nan 0.000 0.584 267 T N -0.714 113.985 114.554 0.242 0.000 3.035 267 T HA -0.015 4.339 4.350 0.006 0.000 0.259 267 T C 0.621 175.378 174.700 0.094 0.000 1.078 267 T CA 0.240 62.425 62.100 0.143 0.000 1.132 267 T CB -0.205 68.689 68.868 0.043 0.000 0.900 267 T HN 0.034 nan 8.240 nan 0.000 0.480 268 K N 1.938 122.375 120.400 0.062 0.000 3.490 268 K HA -0.195 4.129 4.320 0.006 0.000 0.273 268 K C -0.260 176.348 176.600 0.014 0.000 0.916 268 K CA 0.447 56.754 56.287 0.033 0.000 0.718 268 K CB -1.036 31.492 32.500 0.048 0.000 1.477 268 K HN 0.482 nan 8.250 nan 0.000 0.452 269 E N 1.123 121.317 120.200 -0.011 0.000 2.317 269 E HA 0.146 4.500 4.350 0.006 0.000 0.270 269 E C -1.047 175.517 176.600 -0.060 0.000 0.899 269 E CA -0.749 55.628 56.400 -0.039 0.000 0.814 269 E CB 1.057 30.724 29.700 -0.055 0.000 1.296 269 E HN 0.091 nan 8.360 nan 0.000 0.404 270 K N 1.290 121.658 120.400 -0.053 0.000 2.524 270 K HA 0.101 4.425 4.320 0.006 0.000 0.279 270 K C 0.969 177.510 176.600 -0.097 0.000 0.993 270 K CA 1.495 57.747 56.287 -0.059 0.000 1.030 270 K CB 0.381 32.858 32.500 -0.038 0.000 0.891 270 K HN 0.852 nan 8.250 nan 0.000 0.488 271 G N 1.892 110.617 108.800 -0.126 0.000 2.234 271 G HA2 -0.230 3.734 3.960 0.006 0.000 0.260 271 G HA3 -0.230 3.734 3.960 0.006 0.000 0.260 271 G C 0.089 174.859 174.900 -0.217 0.000 0.987 271 G CA -0.077 44.901 45.100 -0.204 0.000 0.625 271 G HN 0.459 nan 8.290 nan 0.000 0.532 272 I N 0.486 120.959 120.570 -0.163 0.000 2.785 272 I HA 0.720 4.894 4.170 0.006 0.000 0.302 272 I C 0.058 176.108 176.117 -0.112 0.000 1.069 272 I CA -0.901 60.316 61.300 -0.137 0.000 1.045 272 I CB 1.797 39.688 38.000 -0.181 0.000 1.236 272 I HN 0.034 nan 8.210 nan 0.000 0.429 273 L N 2.857 124.033 121.223 -0.078 0.000 2.445 273 L HA 0.633 4.977 4.340 0.006 0.000 0.262 273 L C -0.059 176.751 176.870 -0.099 0.000 0.974 273 L CA -0.699 54.067 54.840 -0.123 0.000 0.822 273 L CB 2.289 44.230 42.059 -0.196 0.000 1.339 273 L HN 0.717 nan 8.230 nan 0.000 0.409 274 A N 0.914 123.578 122.820 -0.260 0.000 2.332 274 A HA 0.196 4.520 4.320 0.006 0.000 0.258 274 A C 0.287 177.684 177.584 -0.312 0.000 1.087 274 A CA 0.064 51.882 52.037 -0.365 0.000 0.802 274 A CB 0.197 18.601 19.000 -0.993 0.000 1.042 274 A HN 0.764 nan 8.150 nan 0.000 0.489 275 Y N 1.177 121.329 120.300 -0.245 0.000 2.224 275 Y HA -0.299 4.255 4.550 0.007 0.000 0.289 275 Y C 1.993 177.792 175.900 -0.169 0.000 1.146 275 Y CA 2.727 60.749 58.100 -0.129 0.000 1.182 275 Y CB -0.667 37.801 38.460 0.012 0.000 0.983 275 Y HN 0.808 nan 8.280 nan 0.000 0.524 276 Y N -1.024 119.126 120.300 -0.250 0.000 2.421 276 Y HA -0.018 4.535 4.550 0.006 0.000 0.292 276 Y C 1.801 177.426 175.900 -0.458 0.000 1.136 276 Y CA 1.142 58.957 58.100 -0.474 0.000 1.255 276 Y CB -1.165 36.847 38.460 -0.746 0.000 0.991 276 Y HN 0.164 nan 8.280 nan 0.000 0.552 277 E N 0.615 120.503 120.200 -0.521 0.000 2.216 277 E HA -0.015 4.339 4.350 0.006 0.000 0.192 277 E C 1.959 178.463 176.600 -0.160 0.000 0.988 277 E CA 0.882 57.149 56.400 -0.222 0.000 0.834 277 E CB -0.100 29.465 29.700 -0.226 0.000 0.772 277 E HN 0.561 nan 8.360 nan 0.000 0.479 278 I N 0.470 120.857 120.570 -0.305 0.000 2.439 278 I HA -0.255 3.919 4.170 0.006 0.000 0.251 278 I C 2.143 178.061 176.117 -0.330 0.000 1.139 278 I CA 0.380 61.475 61.300 -0.341 0.000 1.438 278 I CB -0.063 37.653 38.000 -0.473 0.000 1.085 278 I HN 0.233 nan 8.210 nan 0.000 0.427 279 c N 0.418 118.764 118.600 -0.425 0.000 2.425 279 c HA -0.196 4.378 4.570 0.006 0.000 0.277 279 c C 2.534 176.488 174.090 -0.227 0.000 1.280 279 c CA 1.330 57.447 56.329 -0.353 0.000 1.744 279 c CB -0.913 41.416 42.510 -0.302 0.000 1.989 279 c HN 0.549 nan 8.230 nan 0.000 0.491 280 D N -0.386 119.993 120.400 -0.035 0.000 2.123 280 D HA -0.124 4.519 4.640 0.006 0.000 0.200 280 D C 1.851 178.177 176.300 0.044 0.000 0.976 280 D CA 0.823 54.887 54.000 0.107 0.000 0.831 280 D CB -0.378 40.578 40.800 0.260 0.000 0.974 280 D HN 0.453 nan 8.370 nan 0.000 0.469 281 F N 0.408 120.287 119.950 -0.118 0.000 2.154 281 F HA -0.170 4.360 4.527 0.005 0.000 0.301 281 F C 1.773 177.472 175.800 -0.169 0.000 1.087 281 F CA 0.839 58.766 58.000 -0.122 0.000 1.274 281 F CB -0.104 38.801 39.000 -0.159 0.000 1.009 281 F HN -0.003 nan 8.300 nan 0.000 0.485 282 L N 0.365 121.510 121.223 -0.130 0.000 2.127 282 L HA -0.212 4.132 4.340 0.006 0.000 0.211 282 L C 0.842 177.537 176.870 -0.292 0.000 1.089 282 L CA 1.200 55.897 54.840 -0.239 0.000 0.757 282 L CB -1.584 40.307 42.059 -0.280 0.000 0.899 282 L HN 0.099 nan 8.230 nan 0.000 0.434 283 H N 0.241 119.231 119.070 -0.133 0.000 3.091 283 H HA 0.296 4.855 4.556 0.006 0.000 0.289 283 H C 1.469 176.693 175.328 -0.173 0.000 0.995 283 H CA 0.728 56.705 56.048 -0.119 0.000 1.461 283 H CB -0.101 29.614 29.762 -0.079 0.000 1.510 283 H HN 0.317 nan 8.280 nan 0.000 0.546 284 G N 2.057 110.835 108.800 -0.036 0.000 2.157 284 G HA2 -0.190 3.774 3.960 0.006 0.000 0.248 284 G HA3 -0.190 3.774 3.960 0.006 0.000 0.248 284 G C 0.376 175.181 174.900 -0.159 0.000 0.979 284 G CA 0.077 45.124 45.100 -0.089 0.000 0.650 284 G HN 0.913 nan 8.290 nan 0.000 0.529 285 A N -0.442 122.258 122.820 -0.200 0.000 2.311 285 A HA 0.876 5.199 4.320 0.006 0.000 0.334 285 A C 0.308 177.809 177.584 -0.139 0.000 1.139 285 A CA 0.400 52.309 52.037 -0.212 0.000 0.830 285 A CB 1.079 19.899 19.000 -0.301 0.000 1.234 285 A HN 0.707 nan 8.150 nan 0.000 0.483 286 T N 2.046 116.525 114.554 -0.124 0.000 2.749 286 T HA 0.513 4.867 4.350 0.006 0.000 0.287 286 T C 0.232 174.705 174.700 -0.378 0.000 0.970 286 T CA -0.094 61.874 62.100 -0.221 0.000 0.980 286 T CB 0.569 69.342 68.868 -0.159 0.000 0.924 286 T HN 0.828 nan 8.240 nan 0.000 0.456 287 T N 1.772 116.072 114.554 -0.423 0.000 2.837 287 T HA 0.557 4.911 4.350 0.006 0.000 0.285 287 T C -0.528 173.745 174.700 -0.712 0.000 0.984 287 T CA -0.863 60.986 62.100 -0.418 0.000 1.049 287 T CB 0.901 69.662 68.868 -0.179 0.000 0.947 287 T HN 0.559 nan 8.240 nan 0.000 0.472 288 H N 1.309 120.058 119.070 -0.536 0.000 2.908 288 H HA 0.712 5.271 4.556 0.005 0.000 0.350 288 H C -0.521 174.373 175.328 -0.722 0.000 1.217 288 H CA -0.983 54.635 56.048 -0.717 0.000 1.168 288 H CB 2.283 31.298 29.762 -1.245 0.000 1.891 288 H HN 0.677 nan 8.280 nan 0.000 0.566 289 R N 1.098 121.379 120.500 -0.364 0.000 2.515 289 R HA 0.246 4.590 4.340 0.006 0.000 0.278 289 R C -1.526 174.739 176.300 -0.058 0.000 1.107 289 R CA -0.605 55.357 56.100 -0.230 0.000 0.945 289 R CB 1.051 31.282 30.300 -0.114 0.000 1.219 289 R HN 0.213 nan 8.270 nan 0.000 0.434 290 F N 4.640 124.682 119.950 0.154 0.000 2.506 290 F HA 0.157 4.687 4.527 0.006 0.000 0.371 290 F C 1.789 177.625 175.800 0.061 0.000 1.078 290 F CA -0.259 57.830 58.000 0.147 0.000 1.195 290 F CB 0.993 40.076 39.000 0.138 0.000 1.099 290 F HN 0.585 nan 8.300 nan 0.000 0.548 291 R N 0.474 121.115 120.500 0.235 0.000 2.093 291 R HA -0.034 4.310 4.340 0.006 0.000 0.224 291 R C 0.986 177.354 176.300 0.115 0.000 1.101 291 R CA 1.357 57.536 56.100 0.133 0.000 0.979 291 R CB -0.303 30.051 30.300 0.090 0.000 0.877 291 R HN 0.369 nan 8.270 nan 0.000 0.441 292 D N 1.114 121.578 120.400 0.108 0.000 2.123 292 D HA -0.121 4.523 4.640 0.006 0.000 0.200 292 D C 1.951 178.322 176.300 0.119 0.000 0.976 292 D CA 1.288 55.327 54.000 0.064 0.000 0.831 292 D CB -0.106 40.705 40.800 0.019 0.000 0.974 292 D HN 0.459 nan 8.370 nan 0.000 0.469 293 Q N -0.037 119.824 119.800 0.102 0.000 2.245 293 Q HA 0.017 4.361 4.340 0.006 0.000 0.201 293 Q C 0.038 176.072 176.000 0.058 0.000 0.955 293 Q CA 0.188 56.025 55.803 0.057 0.000 0.870 293 Q CB 0.157 28.856 28.738 -0.066 0.000 0.945 293 Q HN 0.267 nan 8.270 nan 0.000 0.461 294 Q N -0.499 119.364 119.800 0.105 0.000 2.478 294 Q HA -0.136 4.208 4.340 0.006 0.000 0.286 294 Q C -1.126 174.847 176.000 -0.046 0.000 1.299 294 Q CA 0.441 56.276 55.803 0.054 0.000 0.826 294 Q CB -2.188 26.602 28.738 0.086 0.000 1.199 294 Q HN 0.288 nan 8.270 nan 0.000 0.451 295 V N -3.732 116.147 119.914 -0.058 0.000 2.925 295 V HA 0.875 4.999 4.120 0.006 0.000 0.311 295 V C -2.537 173.485 176.094 -0.120 0.000 1.104 295 V CA -2.216 59.951 62.300 -0.223 0.000 0.954 295 V CB 2.355 33.753 31.823 -0.709 0.000 1.022 295 V HN -0.026 nan 8.190 nan 0.000 0.427 296 P HA 0.607 nan 4.420 nan 0.000 0.283 296 P C -1.872 175.304 177.300 -0.207 0.000 1.278 296 P CA -0.366 62.546 63.100 -0.313 0.000 0.834 296 P CB 1.640 33.035 31.700 -0.509 0.000 1.150 297 Y N -2.494 117.638 120.300 -0.280 0.000 2.609 297 Y HA 0.817 5.370 4.550 0.005 0.000 0.336 297 Y C -1.772 174.050 175.900 -0.130 0.000 1.129 297 Y CA -1.396 56.528 58.100 -0.294 0.000 1.040 297 Y CB 0.703 38.724 38.460 -0.732 0.000 1.310 297 Y HN 0.646 nan 8.280 nan 0.000 0.460 298 A N 0.953 123.772 122.820 -0.002 0.000 2.485 298 A HA 0.973 5.297 4.320 0.006 0.000 0.292 298 A C -1.215 176.411 177.584 0.069 0.000 1.147 298 A CA -0.804 51.255 52.037 0.036 0.000 0.750 298 A CB 1.774 20.874 19.000 0.167 0.000 1.331 298 A HN 0.892 nan 8.150 nan 0.000 0.419 299 T N 0.700 115.367 114.554 0.188 0.000 2.982 299 T HA 0.593 4.947 4.350 0.006 0.000 0.321 299 T C -1.088 173.717 174.700 0.175 0.000 1.229 299 T CA -0.638 61.628 62.100 0.277 0.000 1.044 299 T CB 1.581 70.652 68.868 0.339 0.000 1.184 299 T HN 0.668 nan 8.240 nan 0.000 0.477 300 K N 1.456 121.974 120.400 0.197 0.000 2.553 300 K HA 0.541 4.865 4.320 0.006 0.000 0.250 300 K C 0.769 177.427 176.600 0.097 0.000 0.953 300 K CA 0.103 56.387 56.287 -0.005 0.000 0.800 300 K CB 1.494 33.767 32.500 -0.378 0.000 1.243 300 K HN 0.930 nan 8.250 nan 0.000 0.435 301 G N 3.710 112.550 108.800 0.068 0.000 2.651 301 G HA2 -0.414 3.550 3.960 0.006 0.000 0.315 301 G HA3 -0.414 3.550 3.960 0.006 0.000 0.315 301 G C 0.189 175.171 174.900 0.136 0.000 1.258 301 G CA 0.851 46.002 45.100 0.086 0.000 1.002 301 G HN 0.843 nan 8.290 nan 0.000 0.551 302 N N 0.999 119.784 118.700 0.142 0.000 2.295 302 N HA 0.191 4.935 4.740 0.006 0.000 0.221 302 N C 0.166 175.808 175.510 0.220 0.000 1.129 302 N CA 0.402 53.548 53.050 0.161 0.000 0.836 302 N CB 0.539 39.097 38.487 0.118 0.000 1.040 302 N HN 0.556 nan 8.380 nan 0.000 0.494 303 Q N 0.314 120.280 119.800 0.277 0.000 2.307 303 Q HA 0.257 4.600 4.340 0.006 0.000 0.262 303 Q C -1.479 174.792 176.000 0.451 0.000 0.961 303 Q CA -0.253 55.756 55.803 0.344 0.000 0.882 303 Q CB 1.758 30.730 28.738 0.391 0.000 1.264 303 Q HN 0.450 nan 8.270 nan 0.000 0.446 304 W N 3.315 124.747 121.300 0.219 0.000 2.600 304 W HA 0.556 5.218 4.660 0.004 0.000 0.325 304 W C -1.304 175.320 176.519 0.175 0.000 1.034 304 W CA -0.554 56.937 57.345 0.244 0.000 1.226 304 W CB 1.211 30.810 29.460 0.232 0.000 1.379 304 W HN 0.272 nan 8.180 nan 0.000 0.466 305 V N 5.636 125.441 119.914 -0.182 0.000 2.483 305 V HA 0.684 4.808 4.120 0.006 0.000 0.297 305 V C -0.063 175.865 176.094 -0.277 0.000 1.027 305 V CA -1.043 61.128 62.300 -0.215 0.000 0.855 305 V CB 1.169 32.719 31.823 -0.455 0.000 0.995 305 V HN 0.672 nan 8.190 nan 0.000 0.424 306 A N 5.630 128.404 122.820 -0.076 0.000 2.252 306 A HA 0.862 5.186 4.320 0.006 0.000 0.309 306 A C -0.740 176.890 177.584 0.078 0.000 1.285 306 A CA -0.256 51.711 52.037 -0.117 0.000 0.900 306 A CB 0.228 19.216 19.000 -0.020 0.000 1.157 306 A HN 1.143 nan 8.150 nan 0.000 0.536 307 Y N -0.120 120.194 120.300 0.023 0.000 2.974 307 Y HA 0.770 5.324 4.550 0.006 0.000 0.310 307 Y C -1.162 174.880 175.900 0.238 0.000 1.526 307 Y CA -1.758 56.428 58.100 0.143 0.000 1.087 307 Y CB 0.846 39.354 38.460 0.079 0.000 1.404 307 Y HN 0.421 nan 8.280 nan 0.000 0.491 308 D N 1.064 121.534 120.400 0.117 0.000 2.649 308 D HA 0.279 4.923 4.640 0.006 0.000 0.249 308 D C -1.544 174.801 176.300 0.074 0.000 1.112 308 D CA -0.276 53.703 54.000 -0.034 0.000 0.850 308 D CB 2.372 43.153 40.800 -0.031 0.000 1.399 308 D HN 0.686 nan 8.370 nan 0.000 0.503 309 D N -0.058 120.339 120.400 -0.005 0.000 2.592 309 D HA 0.115 4.758 4.640 0.006 0.000 0.259 309 D C 1.065 177.355 176.300 -0.016 0.000 1.144 309 D CA -0.457 53.608 54.000 0.107 0.000 1.080 309 D CB 0.742 41.677 40.800 0.224 0.000 1.225 309 D HN 0.127 nan 8.370 nan 0.000 0.619 310 Q N -0.686 119.125 119.800 0.018 0.000 2.135 310 Q HA -0.232 4.112 4.340 0.006 0.000 0.204 310 Q C 1.659 177.659 176.000 0.001 0.000 0.981 310 Q CA 2.042 57.846 55.803 0.001 0.000 0.856 310 Q CB -0.162 28.601 28.738 0.042 0.000 0.902 310 Q HN 0.753 nan 8.270 nan 0.000 0.425 311 E N 0.439 120.644 120.200 0.009 0.000 2.216 311 E HA -0.121 4.233 4.350 0.006 0.000 0.192 311 E C 1.896 178.487 176.600 -0.015 0.000 0.988 311 E CA 1.342 57.744 56.400 0.002 0.000 0.834 311 E CB -0.032 29.673 29.700 0.009 0.000 0.772 311 E HN 0.240 nan 8.360 nan 0.000 0.479 312 S N -0.117 115.560 115.700 -0.038 0.000 2.414 312 S HA -0.024 4.449 4.470 0.006 0.000 0.227 312 S C 2.078 176.646 174.600 -0.052 0.000 1.022 312 S CA 0.667 58.831 58.200 -0.060 0.000 0.958 312 S CB -0.182 62.954 63.200 -0.107 0.000 0.797 312 S HN 0.154 nan 8.310 nan 0.000 0.493 313 V N 2.024 121.911 119.914 -0.045 0.000 2.548 313 V HA -0.048 4.076 4.120 0.006 0.000 0.249 313 V C 2.574 178.659 176.094 -0.016 0.000 1.055 313 V CA 1.693 63.973 62.300 -0.034 0.000 1.065 313 V CB -0.504 31.290 31.823 -0.048 0.000 0.681 313 V HN 0.495 nan 8.190 nan 0.000 0.462 314 K N -0.224 120.169 120.400 -0.011 0.000 2.155 314 K HA -0.117 4.206 4.320 0.006 0.000 0.203 314 K C 2.092 178.696 176.600 0.006 0.000 1.052 314 K CA 1.106 57.392 56.287 -0.002 0.000 0.948 314 K CB -0.249 32.253 32.500 0.004 0.000 0.728 314 K HN 0.451 nan 8.250 nan 0.000 0.448 315 N N 1.411 120.115 118.700 0.007 0.000 2.058 315 N HA -0.176 4.567 4.740 0.006 0.000 0.191 315 N C 1.525 177.055 175.510 0.034 0.000 1.037 315 N CA 1.395 54.460 53.050 0.025 0.000 0.848 315 N CB 0.136 38.630 38.487 0.011 0.000 1.021 315 N HN 0.127 nan 8.380 nan 0.000 0.422 316 K N 0.531 120.928 120.400 -0.005 0.000 2.063 316 K HA -0.080 4.244 4.320 0.006 0.000 0.208 316 K C 2.075 178.718 176.600 0.071 0.000 1.048 316 K CA 1.271 57.559 56.287 0.002 0.000 0.928 316 K CB -0.130 32.354 32.500 -0.027 0.000 0.713 316 K HN 0.193 nan 8.250 nan 0.000 0.442 317 A N 1.301 124.138 122.820 0.028 0.000 1.972 317 A HA -0.155 4.169 4.320 0.006 0.000 0.219 317 A C 2.012 179.579 177.584 -0.029 0.000 1.169 317 A CA 1.246 53.277 52.037 -0.010 0.000 0.635 317 A CB -0.295 18.683 19.000 -0.037 0.000 0.810 317 A HN 0.197 nan 8.150 nan 0.000 0.446 318 R N -2.258 118.249 120.500 0.011 0.000 2.073 318 R HA -0.086 4.258 4.340 0.006 0.000 0.229 318 R C 2.141 178.462 176.300 0.035 0.000 1.120 318 R CA 1.485 57.590 56.100 0.008 0.000 0.967 318 R CB -0.519 29.805 30.300 0.040 0.000 0.862 318 R HN 0.685 nan 8.270 nan 0.000 0.436 319 Y N 1.928 122.216 120.300 -0.021 0.000 2.081 319 Y HA -0.281 4.273 4.550 0.007 0.000 0.280 319 Y C 2.076 177.970 175.900 -0.009 0.000 1.163 319 Y CA 1.842 59.937 58.100 -0.007 0.000 1.135 319 Y CB -0.409 38.012 38.460 -0.065 0.000 0.970 319 Y HN 0.059 nan 8.280 nan 0.000 0.498 320 L N 0.262 121.515 121.223 0.051 0.000 2.079 320 L HA -0.260 4.083 4.340 0.006 0.000 0.210 320 L C 2.120 178.938 176.870 -0.086 0.000 1.081 320 L CA 2.096 56.929 54.840 -0.012 0.000 0.752 320 L CB -0.457 41.644 42.059 0.069 0.000 0.896 320 L HN 0.265 nan 8.230 nan 0.000 0.433 321 K N -0.084 120.246 120.400 -0.117 0.000 2.062 321 K HA -0.086 4.238 4.320 0.006 0.000 0.205 321 K C 1.861 178.441 176.600 -0.033 0.000 1.051 321 K CA 1.358 57.588 56.287 -0.094 0.000 0.941 321 K CB -0.122 32.262 32.500 -0.194 0.000 0.719 321 K HN 0.358 nan 8.250 nan 0.000 0.440 322 N N 0.825 119.469 118.700 -0.092 0.000 2.289 322 N HA -0.116 4.628 4.740 0.006 0.000 0.184 322 N C 1.217 176.650 175.510 -0.128 0.000 1.016 322 N CA 1.004 53.999 53.050 -0.091 0.000 0.872 322 N CB 0.070 38.502 38.487 -0.093 0.000 0.973 322 N HN 0.135 nan 8.380 nan 0.000 0.433 323 R N 0.627 120.998 120.500 -0.214 0.000 2.334 323 R HA 0.161 4.504 4.340 0.006 0.000 0.216 323 R C -0.196 176.061 176.300 -0.072 0.000 0.905 323 R CA 0.000 55.987 56.100 -0.189 0.000 1.064 323 R CB 0.254 30.353 30.300 -0.336 0.000 1.046 323 R HN 0.226 nan 8.270 nan 0.000 0.508 324 Q N 0.790 120.582 119.800 -0.014 0.000 2.463 324 Q HA -0.186 4.157 4.340 0.006 0.000 0.299 324 Q C -0.603 175.440 176.000 0.073 0.000 1.353 324 Q CA 0.411 56.251 55.803 0.062 0.000 0.828 324 Q CB -1.596 27.159 28.738 0.028 0.000 1.157 324 Q HN 0.370 nan 8.270 nan 0.000 0.436 325 L N -1.199 120.080 121.223 0.093 0.000 2.479 325 L HA 0.337 4.681 4.340 0.006 0.000 0.248 325 L C 1.700 178.658 176.870 0.148 0.000 1.205 325 L CA 0.473 55.369 54.840 0.093 0.000 0.817 325 L CB 0.100 42.210 42.059 0.085 0.000 1.162 325 L HN 0.320 nan 8.230 nan 0.000 0.486 326 A N 0.110 122.989 122.820 0.099 0.000 2.014 326 A HA 0.321 4.644 4.320 0.006 0.000 0.218 326 A C 0.929 178.603 177.584 0.150 0.000 1.163 326 A CA 1.380 53.460 52.037 0.073 0.000 0.652 326 A CB -0.323 18.688 19.000 0.018 0.000 0.808 326 A HN 0.981 nan 8.150 nan 0.000 0.449 327 G N -2.888 106.009 108.800 0.161 0.000 2.404 327 G HA2 0.581 4.545 3.960 0.006 0.000 0.253 327 G HA3 0.581 4.545 3.960 0.006 0.000 0.253 327 G C -1.030 173.917 174.900 0.077 0.000 1.253 327 G CA -0.026 45.166 45.100 0.153 0.000 0.917 327 G HN 1.228 nan 8.290 nan 0.000 0.480 328 A N -0.493 122.360 122.820 0.055 0.000 2.423 328 A HA 0.864 5.187 4.320 0.006 0.000 0.304 328 A C -0.465 177.177 177.584 0.097 0.000 1.104 328 A CA -0.492 51.593 52.037 0.080 0.000 0.757 328 A CB 1.980 21.019 19.000 0.065 0.000 1.313 328 A HN 1.419 nan 8.150 nan 0.000 0.423 329 M N 2.380 122.085 119.600 0.175 0.000 2.321 329 M HA 0.602 5.086 4.480 0.006 0.000 0.315 329 M C -2.055 174.441 176.300 0.326 0.000 1.052 329 M CA -0.530 54.927 55.300 0.261 0.000 0.936 329 M CB 1.430 34.249 32.600 0.366 0.000 1.639 329 M HN 0.407 nan 8.290 nan 0.000 0.433 330 V N 5.636 125.748 119.914 0.330 0.000 2.448 330 V HA 0.479 4.603 4.120 0.006 0.000 0.295 330 V C -1.156 175.198 176.094 0.433 0.000 1.025 330 V CA -0.593 61.897 62.300 0.316 0.000 0.859 330 V CB 1.957 33.887 31.823 0.179 0.000 0.988 330 V HN 0.867 nan 8.190 nan 0.000 0.431 331 W N 6.129 127.573 121.300 0.239 0.000 2.424 331 W HA 0.800 5.464 4.660 0.005 0.000 0.318 331 W C -0.726 175.888 176.519 0.158 0.000 1.016 331 W CA -0.598 56.865 57.345 0.197 0.000 1.268 331 W CB 1.662 31.202 29.460 0.133 0.000 1.297 331 W HN 0.691 nan 8.180 nan 0.000 0.428 332 A N 5.375 128.104 122.820 -0.153 0.000 2.572 332 A HA 0.434 4.758 4.320 0.006 0.000 0.295 332 A C 0.323 177.823 177.584 -0.140 0.000 1.072 332 A CA -0.659 51.126 52.037 -0.420 0.000 0.691 332 A CB 1.406 19.684 19.000 -1.204 0.000 1.291 332 A HN 0.626 nan 8.150 nan 0.000 0.404 333 L N 0.131 121.320 121.223 -0.058 0.000 2.051 333 L HA -0.265 4.078 4.340 0.006 0.000 0.214 333 L C 1.943 178.908 176.870 0.159 0.000 1.076 333 L CA 2.518 57.444 54.840 0.142 0.000 0.758 333 L CB -0.523 41.621 42.059 0.141 0.000 0.890 333 L HN 1.018 nan 8.230 nan 0.000 0.433 334 D N -0.954 119.387 120.400 -0.098 0.000 2.378 334 D HA -0.104 4.540 4.640 0.006 0.000 0.227 334 D C 1.726 178.078 176.300 0.087 0.000 1.012 334 D CA 0.575 54.444 54.000 -0.220 0.000 0.905 334 D CB -0.063 40.454 40.800 -0.471 0.000 0.895 334 D HN 0.353 nan 8.370 nan 0.000 0.532 335 L N -0.787 120.508 121.223 0.120 0.000 2.638 335 L HA 0.213 4.556 4.340 0.006 0.000 0.232 335 L C 0.902 177.937 176.870 0.275 0.000 1.099 335 L CA -0.307 54.624 54.840 0.153 0.000 0.883 335 L CB 0.172 42.271 42.059 0.067 0.000 1.136 335 L HN 0.045 nan 8.230 nan 0.000 0.492 336 D N 0.482 121.094 120.400 0.354 0.000 2.377 336 D HA -0.042 4.602 4.640 0.006 0.000 0.245 336 D C -0.245 176.313 176.300 0.431 0.000 1.196 336 D CA -0.106 54.125 54.000 0.386 0.000 0.962 336 D CB 1.095 42.135 40.800 0.399 0.000 1.127 336 D HN -0.134 nan 8.370 nan 0.000 0.471 337 D N 1.017 121.612 120.400 0.324 0.000 2.688 337 D HA -0.009 4.635 4.640 0.006 0.000 0.228 337 D C 1.150 177.282 176.300 -0.279 0.000 1.116 337 D CA -0.334 53.702 54.000 0.061 0.000 1.023 337 D CB -1.040 39.842 40.800 0.136 0.000 1.100 337 D HN 0.331 nan 8.370 nan 0.000 0.487 338 F N 0.639 120.327 119.950 -0.437 0.000 2.161 338 F HA -0.078 4.452 4.527 0.006 0.000 0.300 338 F C 1.824 177.252 175.800 -0.620 0.000 1.089 338 F CA 0.792 58.177 58.000 -1.025 0.000 1.282 338 F CB -0.510 38.051 39.000 -0.731 0.000 1.010 338 F HN 0.053 nan 8.300 nan 0.000 0.485 339 R N 0.502 120.440 120.500 -0.937 0.000 2.193 339 R HA 0.151 4.494 4.340 0.006 0.000 0.213 339 R C 1.825 177.947 176.300 -0.297 0.000 1.055 339 R CA 0.703 56.498 56.100 -0.509 0.000 0.995 339 R CB -0.636 29.329 30.300 -0.557 0.000 0.893 339 R HN 0.606 nan 8.270 nan 0.000 0.459 340 G N 0.885 109.522 108.800 -0.272 0.000 2.153 340 G HA2 -0.307 3.657 3.960 0.006 0.000 0.252 340 G HA3 -0.307 3.657 3.960 0.006 0.000 0.252 340 G C 0.718 175.562 174.900 -0.093 0.000 0.994 340 G CA 0.938 45.968 45.100 -0.118 0.000 0.698 340 G HN 0.486 nan 8.290 nan 0.000 0.521 341 T N -3.600 110.867 114.554 -0.145 0.000 3.092 341 T HA 0.561 4.914 4.350 0.006 0.000 0.258 341 T C 1.439 175.944 174.700 -0.325 0.000 1.031 341 T CA 0.635 62.592 62.100 -0.239 0.000 0.925 341 T CB -0.097 68.550 68.868 -0.368 0.000 1.036 341 T HN 0.184 nan 8.240 nan 0.000 0.544 342 F N 0.270 120.127 119.950 -0.155 0.000 2.637 342 F HA 0.370 4.901 4.527 0.005 0.000 0.284 342 F C 1.629 177.392 175.800 -0.061 0.000 1.105 342 F CA -0.729 57.212 58.000 -0.098 0.000 1.356 342 F CB 0.356 39.295 39.000 -0.101 0.000 1.096 342 F HN 0.208 nan 8.300 nan 0.000 0.616 343 c N 1.353 120.027 118.600 0.122 0.000 2.285 343 c HA 0.631 5.204 4.570 0.006 0.000 0.361 343 c C 1.516 175.643 174.090 0.061 0.000 1.361 343 c CA -0.141 56.221 56.329 0.054 0.000 1.775 343 c CB -1.799 40.751 42.510 0.066 0.000 2.409 343 c HN 0.827 nan 8.230 nan 0.000 0.572 344 G N 1.742 110.576 108.800 0.056 0.000 2.565 344 G HA2 -0.279 3.685 3.960 0.006 0.000 0.295 344 G HA3 -0.279 3.685 3.960 0.006 0.000 0.295 344 G C 0.074 174.996 174.900 0.037 0.000 1.165 344 G CA 0.233 45.362 45.100 0.049 0.000 0.977 344 G HN 0.841 nan 8.290 nan 0.000 0.546 345 Q N 1.060 120.887 119.800 0.046 0.000 3.383 345 Q HA -0.074 4.270 4.340 0.006 0.000 0.396 345 Q C -0.047 175.974 176.000 0.035 0.000 1.054 345 Q CA 1.169 56.997 55.803 0.043 0.000 1.234 345 Q CB -0.313 28.460 28.738 0.058 0.000 1.085 345 Q HN 0.582 nan 8.270 nan 0.000 0.473 346 N N 2.508 121.220 118.700 0.020 0.000 2.747 346 N HA 0.115 4.859 4.740 0.006 0.000 0.252 346 N C -0.672 174.852 175.510 0.023 0.000 1.352 346 N CA 0.296 53.350 53.050 0.007 0.000 0.960 346 N CB 0.042 38.528 38.487 -0.003 0.000 1.303 346 N HN 0.495 nan 8.380 nan 0.000 0.518 347 L N -0.282 120.967 121.223 0.043 0.000 2.309 347 L HA 0.322 4.666 4.340 0.006 0.000 0.282 347 L C 0.235 177.147 176.870 0.070 0.000 1.036 347 L CA -0.445 54.436 54.840 0.068 0.000 0.806 347 L CB 1.360 43.472 42.059 0.089 0.000 1.220 347 L HN 0.028 nan 8.230 nan 0.000 0.429 348 T N 3.977 118.587 114.554 0.095 0.000 2.817 348 T HA 0.307 4.661 4.350 0.006 0.000 0.293 348 T C -0.265 174.580 174.700 0.242 0.000 0.964 348 T CA 0.143 62.285 62.100 0.069 0.000 1.085 348 T CB -0.186 68.762 68.868 0.133 0.000 0.921 348 T HN 0.423 nan 8.240 nan 0.000 0.502 349 F N 3.994 124.023 119.950 0.131 0.000 2.807 349 F HA -0.147 4.384 4.527 0.006 0.000 0.297 349 F C -1.891 173.975 175.800 0.110 0.000 1.024 349 F CA -0.463 57.621 58.000 0.140 0.000 1.008 349 F CB -1.610 37.463 39.000 0.121 0.000 1.142 349 F HN 0.548 nan 8.300 nan 0.000 0.829 350 P HA -0.216 nan 4.420 nan 0.000 0.213 350 P C 1.925 179.287 177.300 0.103 0.000 1.170 350 P CA 1.307 64.516 63.100 0.182 0.000 0.902 350 P CB 0.208 32.059 31.700 0.252 0.000 0.789 351 L N -0.942 120.289 121.223 0.013 0.000 2.012 351 L HA -0.155 4.189 4.340 0.006 0.000 0.210 351 L C 2.333 179.216 176.870 0.022 0.000 1.073 351 L CA 2.219 57.010 54.840 -0.081 0.000 0.748 351 L CB -2.045 39.864 42.059 -0.250 0.000 0.891 351 L HN 0.011 nan 8.230 nan 0.000 0.431 352 T N -1.609 113.006 114.554 0.101 0.000 2.833 352 T HA -0.127 4.227 4.350 0.006 0.000 0.269 352 T C 2.051 176.787 174.700 0.061 0.000 1.054 352 T CA 1.401 63.550 62.100 0.081 0.000 1.135 352 T CB -0.216 68.698 68.868 0.078 0.000 0.869 352 T HN 0.271 nan 8.240 nan 0.000 0.466 353 S N 1.561 117.320 115.700 0.097 0.000 2.368 353 S HA 0.036 4.510 4.470 0.006 0.000 0.224 353 S C 2.649 177.280 174.600 0.051 0.000 1.029 353 S CA 0.816 59.063 58.200 0.079 0.000 0.988 353 S CB -0.573 62.696 63.200 0.115 0.000 0.838 353 S HN 0.604 nan 8.310 nan 0.000 0.462 354 A N 1.391 124.238 122.820 0.046 0.000 1.883 354 A HA -0.082 4.242 4.320 0.006 0.000 0.217 354 A C 2.345 179.938 177.584 0.014 0.000 1.186 354 A CA 1.681 53.734 52.037 0.027 0.000 0.624 354 A CB -1.020 17.990 19.000 0.016 0.000 0.822 354 A HN 0.341 nan 8.150 nan 0.000 0.444 355 V N 0.267 120.188 119.914 0.012 0.000 2.343 355 V HA -0.271 3.852 4.120 0.006 0.000 0.247 355 V C 2.553 178.645 176.094 -0.004 0.000 1.051 355 V CA 2.397 64.699 62.300 0.003 0.000 1.036 355 V CB -0.644 31.189 31.823 0.016 0.000 0.654 355 V HN 0.712 nan 8.190 nan 0.000 0.451 356 K N -0.221 120.186 120.400 0.011 0.000 2.097 356 K HA -0.213 4.111 4.320 0.006 0.000 0.205 356 K C 1.799 178.405 176.600 0.011 0.000 1.050 356 K CA 1.713 58.008 56.287 0.013 0.000 0.938 356 K CB -0.185 32.329 32.500 0.023 0.000 0.718 356 K HN 0.435 nan 8.250 nan 0.000 0.442 357 D N 0.407 120.814 120.400 0.013 0.000 2.097 357 D HA -0.146 4.498 4.640 0.006 0.000 0.195 357 D C 1.962 178.261 176.300 -0.002 0.000 0.989 357 D CA 1.132 55.140 54.000 0.012 0.000 0.827 357 D CB -0.231 40.579 40.800 0.018 0.000 0.966 357 D HN 0.028 nan 8.370 nan 0.000 0.456 358 V N 0.855 120.758 119.914 -0.017 0.000 2.343 358 V HA -0.207 3.917 4.120 0.006 0.000 0.247 358 V C 2.428 178.472 176.094 -0.083 0.000 1.051 358 V CA 1.001 63.276 62.300 -0.041 0.000 1.036 358 V CB -0.312 31.483 31.823 -0.047 0.000 0.654 358 V HN 0.133 nan 8.190 nan 0.000 0.451 359 L N 0.339 121.500 121.223 -0.103 0.000 2.141 359 L HA -0.038 4.306 4.340 0.006 0.000 0.209 359 L C 2.445 179.307 176.870 -0.014 0.000 1.094 359 L CA 2.076 56.812 54.840 -0.174 0.000 0.763 359 L CB -1.129 40.860 42.059 -0.117 0.000 0.908 359 L HN 0.307 nan 8.230 nan 0.000 0.437 360 A N -1.250 121.584 122.820 0.023 0.000 2.119 360 A HA -0.096 4.228 4.320 0.006 0.000 0.216 360 A C 2.341 179.957 177.584 0.054 0.000 1.152 360 A CA 0.544 52.617 52.037 0.060 0.000 0.708 360 A CB -0.388 18.638 19.000 0.043 0.000 0.805 360 A HN 0.323 nan 8.150 nan 0.000 0.460 361 R N -1.565 118.952 120.500 0.029 0.000 2.193 361 R HA 0.192 4.536 4.340 0.006 0.000 0.229 361 R C 0.375 176.707 176.300 0.053 0.000 1.110 361 R CA 0.780 56.898 56.100 0.029 0.000 0.988 361 R CB -0.413 29.893 30.300 0.010 0.000 0.871 361 R HN 0.379 nan 8.270 nan 0.000 0.458 362 V N 0.000 119.970 119.914 0.093 0.000 2.409 362 V HA 0.000 4.124 4.120 0.006 0.000 0.244 362 V CA 0.000 62.396 62.300 0.160 0.000 1.235 362 V CB 0.000 31.882 31.823 0.099 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556