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 1nwk_1_A DATA FIRST_RESID 6 DATA SEQUENCE TALVCDNGSG LVKAGFAGDD APRAVFPSIV GRPRXXXXXX XXXXXXSYVG DATA SEQUENCE DEAQSKRGIL TLKYPIEXGI ITNWDDMEKI WHHTFYNELR VAPEEHPTLL DATA SEQUENCE TEAPLNPKAN REKMTQIMFE TFNVPAMYVA IQAVLSLYAS GRTTGIVLDS DATA SEQUENCE GDGVTHNVPI YEGYALPHAI MRLDLAGRDL TDYLMKILTE RGYSFVTTAE DATA SEQUENCE REIVRDIKEK LCYVALDFEN EMATAASSSS LEKSYELPDG QVITIGNERF DATA SEQUENCE RCPETLFQPS FIGMESAGIH ETTYNSIMKC DIDIRKDLYA NNVMSGGTTM DATA SEQUENCE YPGIADRMQK EITALAPSTM KIKIIAPPER KYSVWIGGSI LASLSTFQQM DATA SEQUENCE WITKQEYDEA GPSIVH 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.880 174.700 0.299 0.000 1.109 6 T CA 0.000 62.259 62.100 0.265 0.000 1.349 6 T CB 0.000 69.068 68.868 0.334 0.000 0.612 7 A N 3.185 126.112 122.820 0.178 0.000 2.386 7 A HA 0.824 4.807 4.320 -0.562 0.000 0.248 7 A C -0.191 177.434 177.584 0.067 0.000 1.082 7 A CA -0.342 51.754 52.037 0.098 0.000 0.789 7 A CB 0.199 19.331 19.000 0.219 0.000 1.025 7 A HN 0.770 nan 8.150 nan 0.000 0.490 8 L N 1.147 122.354 121.223 -0.027 0.000 2.330 8 L HA 0.630 4.633 4.340 -0.562 0.000 0.271 8 L C -0.844 176.017 176.870 -0.014 0.000 1.013 8 L CA -0.905 53.857 54.840 -0.130 0.000 0.816 8 L CB 1.923 43.855 42.059 -0.211 0.000 1.287 8 L HN 0.391 nan 8.230 nan 0.000 0.435 9 V N 0.920 120.825 119.914 -0.016 0.000 2.483 9 V HA 0.339 4.122 4.120 -0.562 0.000 0.297 9 V C -0.804 175.360 176.094 0.117 0.000 1.027 9 V CA -0.495 61.768 62.300 -0.063 0.000 0.855 9 V CB 1.750 33.274 31.823 -0.498 0.000 0.995 9 V HN 0.825 nan 8.190 nan 0.000 0.424 10 C N 3.426 122.766 119.300 0.065 0.000 2.322 10 C HA 0.572 4.695 4.460 -0.562 0.000 0.324 10 C C -0.205 174.867 174.990 0.135 0.000 1.249 10 C CA -0.675 58.409 59.018 0.111 0.000 1.453 10 C CB 0.798 28.541 27.740 0.006 0.000 2.145 10 C HN 0.924 nan 8.230 nan 0.000 0.466 11 D N 2.726 123.245 120.400 0.198 0.000 2.460 11 D HA 0.236 4.538 4.640 -0.562 0.000 0.232 11 D C -0.439 175.914 176.300 0.087 0.000 1.079 11 D CA -0.078 54.015 54.000 0.155 0.000 0.864 11 D CB 0.293 41.230 40.800 0.228 0.000 1.048 11 D HN 0.541 nan 8.370 nan 0.000 0.523 12 N N 2.289 121.036 118.700 0.078 0.000 2.420 12 N HA 0.536 4.939 4.740 -0.562 0.000 0.249 12 N C 0.182 175.682 175.510 -0.016 0.000 1.033 12 N CA -0.480 52.574 53.050 0.006 0.000 0.944 12 N CB 1.792 40.295 38.487 0.028 0.000 1.113 12 N HN 0.400 nan 8.380 nan 0.000 0.502 13 G N -0.454 108.317 108.800 -0.048 0.000 2.552 13 G HA2 0.243 3.866 3.960 -0.562 0.000 0.324 13 G HA3 0.243 3.866 3.960 -0.562 0.000 0.324 13 G C 0.902 175.779 174.900 -0.038 0.000 1.217 13 G CA -0.677 44.406 45.100 -0.027 0.000 0.989 13 G HN 0.500 nan 8.290 nan 0.000 0.490 14 S N -1.042 114.653 115.700 -0.009 0.000 2.399 14 S HA -0.011 4.122 4.470 -0.562 0.000 0.231 14 S C 1.979 176.613 174.600 0.056 0.000 1.022 14 S CA 1.638 59.847 58.200 0.014 0.000 0.983 14 S CB -0.169 63.038 63.200 0.012 0.000 0.803 14 S HN 0.931 nan 8.310 nan 0.000 0.480 15 G N 0.330 109.147 108.800 0.028 0.000 2.747 15 G HA2 0.524 4.147 3.960 -0.562 0.000 0.202 15 G HA3 0.524 4.147 3.960 -0.562 0.000 0.202 15 G C 0.215 175.100 174.900 -0.026 0.000 1.090 15 G CA -0.270 44.859 45.100 0.048 0.000 0.779 15 G HN 0.429 nan 8.290 nan 0.000 0.535 16 L N 0.901 122.082 121.223 -0.071 0.000 2.401 16 L HA 0.569 4.572 4.340 -0.562 0.000 0.266 16 L C -1.019 175.710 176.870 -0.237 0.000 0.991 16 L CA -1.071 53.677 54.840 -0.152 0.000 0.818 16 L CB 2.937 44.950 42.059 -0.078 0.000 1.321 16 L HN -0.242 nan 8.230 nan 0.000 0.413 17 V N 2.050 121.667 119.914 -0.495 0.000 2.427 17 V HA 0.404 4.187 4.120 -0.562 0.000 0.286 17 V C -0.339 175.517 176.094 -0.397 0.000 1.034 17 V CA -0.621 61.361 62.300 -0.530 0.000 0.893 17 V CB 1.618 32.817 31.823 -1.040 0.000 0.982 17 V HN 0.573 nan 8.190 nan 0.000 0.452 18 K N 3.598 123.897 120.400 -0.168 0.000 2.358 18 K HA 0.841 4.824 4.320 -0.562 0.000 0.260 18 K C -0.532 176.029 176.600 -0.065 0.000 0.956 18 K CA 0.003 56.189 56.287 -0.168 0.000 0.834 18 K CB 1.985 34.434 32.500 -0.086 0.000 1.102 18 K HN 0.884 nan 8.250 nan 0.000 0.431 19 A N 1.496 124.215 122.820 -0.169 0.000 2.539 19 A HA 0.956 4.939 4.320 -0.562 0.000 0.296 19 A C -0.525 177.018 177.584 -0.069 0.000 1.073 19 A CA -0.222 51.836 52.037 0.035 0.000 0.700 19 A CB 1.808 20.815 19.000 0.012 0.000 1.296 19 A HN 0.715 nan 8.150 nan 0.000 0.405 20 G N -0.731 108.194 108.800 0.208 0.000 2.341 20 G HA2 0.531 4.154 3.960 -0.562 0.000 0.299 20 G HA3 0.531 4.154 3.960 -0.562 0.000 0.299 20 G C -1.734 173.298 174.900 0.220 0.000 1.274 20 G CA -0.676 44.535 45.100 0.185 0.000 0.853 20 G HN 0.617 nan 8.290 nan 0.000 0.493 21 F N 1.434 121.574 119.950 0.317 0.000 2.422 21 F HA 0.688 4.876 4.527 -0.565 0.000 0.333 21 F C 1.086 177.021 175.800 0.225 0.000 1.095 21 F CA -0.072 58.042 58.000 0.190 0.000 1.038 21 F CB 1.863 40.911 39.000 0.080 0.000 1.156 21 F HN 0.664 nan 8.300 nan 0.000 0.483 22 A N 1.773 124.736 122.820 0.239 0.000 2.540 22 A HA 0.432 4.415 4.320 -0.562 0.000 0.239 22 A C 1.225 178.905 177.584 0.159 0.000 1.061 22 A CA 0.833 52.925 52.037 0.091 0.000 0.758 22 A CB -0.718 18.334 19.000 0.086 0.000 0.991 22 A HN 1.538 nan 8.150 nan 0.000 0.502 23 G N 1.914 110.780 108.800 0.110 0.000 2.313 23 G HA2 -0.183 3.440 3.960 -0.562 0.000 0.215 23 G HA3 -0.183 3.440 3.960 -0.562 0.000 0.215 23 G C 0.031 175.034 174.900 0.170 0.000 1.023 23 G CA 0.238 45.411 45.100 0.121 0.000 0.626 23 G HN 0.803 nan 8.290 nan 0.000 0.503 24 D N 1.129 121.698 120.400 0.282 0.000 2.399 24 D HA 0.427 4.730 4.640 -0.562 0.000 0.241 24 D C 0.966 177.469 176.300 0.339 0.000 1.133 24 D CA 0.111 54.280 54.000 0.282 0.000 0.890 24 D CB 0.766 41.757 40.800 0.318 0.000 1.201 24 D HN 0.348 nan 8.370 nan 0.000 0.432 25 D N -0.169 120.356 120.400 0.208 0.000 2.347 25 D HA 0.230 4.533 4.640 -0.562 0.000 0.215 25 D C 0.137 176.567 176.300 0.218 0.000 0.976 25 D CA 0.513 54.635 54.000 0.203 0.000 0.884 25 D CB 0.331 41.201 40.800 0.116 0.000 0.915 25 D HN 0.355 nan 8.370 nan 0.000 0.526 26 A N 0.275 123.130 122.820 0.060 0.000 2.612 26 A HA 0.530 4.513 4.320 -0.562 0.000 0.293 26 A C -2.756 174.262 177.584 -0.944 0.000 1.075 26 A CA -1.405 50.456 52.037 -0.293 0.000 0.680 26 A CB 0.998 19.875 19.000 -0.204 0.000 1.279 26 A HN -0.203 nan 8.150 nan 0.000 0.411 27 P HA 0.189 nan 4.420 nan 0.000 0.268 27 P C -0.002 176.835 177.300 -0.772 0.000 1.204 27 P CA 0.025 62.134 63.100 -1.652 0.000 0.768 27 P CB 0.806 31.492 31.700 -1.690 0.000 0.842 28 R N 1.846 122.069 120.500 -0.460 0.000 2.200 28 R HA 0.211 4.214 4.340 -0.562 0.000 0.208 28 R C 0.738 176.940 176.300 -0.163 0.000 1.033 28 R CA 0.581 56.556 56.100 -0.208 0.000 1.000 28 R CB 0.233 30.514 30.300 -0.031 0.000 0.906 28 R HN 0.524 nan 8.270 nan 0.000 0.462 29 A N 0.977 123.686 122.820 -0.186 0.000 2.343 29 A HA 0.579 4.562 4.320 -0.562 0.000 0.308 29 A C -0.959 176.587 177.584 -0.062 0.000 1.092 29 A CA -0.507 51.500 52.037 -0.050 0.000 0.751 29 A CB 1.781 20.806 19.000 0.041 0.000 1.203 29 A HN -0.035 nan 8.150 nan 0.000 0.452 30 V N 3.461 123.392 119.914 0.027 0.000 2.524 30 V HA 0.688 4.471 4.120 -0.562 0.000 0.297 30 V C -1.022 175.153 176.094 0.134 0.000 1.035 30 V CA -0.366 61.921 62.300 -0.022 0.000 0.867 30 V CB 0.757 32.553 31.823 -0.045 0.000 1.004 30 V HN 0.987 nan 8.190 nan 0.000 0.426 31 F N 3.568 123.516 119.950 -0.003 0.000 2.662 31 F HA 0.907 5.097 4.527 -0.562 0.000 0.312 31 F C -3.216 172.583 175.800 -0.001 0.000 1.113 31 F CA -3.278 54.731 58.000 0.015 0.000 0.951 31 F CB 1.439 40.472 39.000 0.055 0.000 1.344 31 F HN 0.216 nan 8.300 nan 0.000 0.462 32 P HA 0.057 nan 4.420 nan 0.000 0.264 32 P C -0.202 177.069 177.300 -0.048 0.000 1.193 32 P CA 0.069 63.171 63.100 0.003 0.000 0.763 32 P CB 1.035 32.754 31.700 0.031 0.000 0.810 33 S N 4.081 119.685 115.700 -0.160 0.000 4.069 33 S HA 0.257 4.390 4.470 -0.562 0.000 0.192 33 S C -0.106 174.340 174.600 -0.257 0.000 1.441 33 S CA -0.370 57.720 58.200 -0.183 0.000 0.994 33 S CB -1.663 61.432 63.200 -0.175 0.000 1.456 33 S HN 0.218 nan 8.310 nan 0.000 0.458 34 I N 2.120 122.540 120.570 -0.249 0.000 2.608 34 I HA 0.489 4.322 4.170 -0.562 0.000 0.295 34 I C -0.801 175.185 176.117 -0.218 0.000 1.049 34 I CA -1.058 59.999 61.300 -0.405 0.000 1.063 34 I CB 2.377 40.081 38.000 -0.493 0.000 1.248 34 I HN -0.009 nan 8.210 nan 0.000 0.424 35 V N 3.598 123.393 119.914 -0.199 0.000 2.540 35 V HA 0.668 4.451 4.120 -0.562 0.000 0.302 35 V C 0.266 176.322 176.094 -0.063 0.000 1.035 35 V CA -0.495 61.743 62.300 -0.102 0.000 0.873 35 V CB 1.879 33.654 31.823 -0.080 0.000 0.992 35 V HN 0.907 nan 8.190 nan 0.000 0.428 36 G N 4.083 112.882 108.800 -0.000 0.000 2.372 36 G HA2 0.704 4.327 3.960 -0.562 0.000 0.323 36 G HA3 0.704 4.327 3.960 -0.562 0.000 0.323 36 G C -0.685 174.266 174.900 0.085 0.000 1.152 36 G CA -0.666 44.453 45.100 0.031 0.000 0.906 36 G HN 0.604 nan 8.290 nan 0.000 0.460 37 R N 2.644 123.176 120.500 0.054 0.000 2.561 37 R HA 0.345 4.348 4.340 -0.562 0.000 0.297 37 R C -2.730 173.602 176.300 0.054 0.000 0.969 37 R CA -1.680 54.458 56.100 0.063 0.000 0.879 37 R CB 2.605 32.927 30.300 0.036 0.000 1.178 37 R HN 0.328 nan 8.270 nan 0.000 0.445 38 P HA -0.026 nan 4.420 nan 0.000 0.266 38 P C -0.410 176.907 177.300 0.029 0.000 1.193 38 P CA 0.279 63.408 63.100 0.049 0.000 0.770 38 P CB 0.653 32.392 31.700 0.065 0.000 0.836 53 Y N -0.374 119.893 120.300 -0.055 0.000 2.562 53 Y HA 0.834 5.047 4.550 -0.562 0.000 0.343 53 Y C -0.147 175.669 175.900 -0.141 0.000 1.025 53 Y CA -1.099 56.952 58.100 -0.081 0.000 1.082 53 Y CB 1.923 40.343 38.460 -0.067 0.000 1.264 53 Y HN 0.717 nan 8.280 nan 0.000 0.478 54 V N 0.849 120.695 119.914 -0.114 0.000 2.789 54 V HA 0.799 4.582 4.120 -0.562 0.000 0.311 54 V C 0.368 176.245 176.094 -0.363 0.000 1.073 54 V CA -0.330 61.787 62.300 -0.305 0.000 0.921 54 V CB 1.120 32.607 31.823 -0.559 0.000 1.009 54 V HN 1.119 nan 8.190 nan 0.000 0.426 55 G N 3.376 112.084 108.800 -0.153 0.000 2.528 55 G HA2 -0.238 3.384 3.960 -0.562 0.000 0.262 55 G HA3 -0.238 3.384 3.960 -0.562 0.000 0.262 55 G C 0.502 175.399 174.900 -0.005 0.000 1.200 55 G CA 0.539 45.640 45.100 0.001 0.000 0.951 55 G HN 0.647 nan 8.290 nan 0.000 0.566 56 D N 0.957 121.379 120.400 0.037 0.000 2.158 56 D HA -0.079 4.223 4.640 -0.562 0.000 0.197 56 D C 2.277 178.582 176.300 0.008 0.000 0.995 56 D CA 1.761 55.780 54.000 0.032 0.000 0.846 56 D CB -0.155 40.676 40.800 0.052 0.000 0.941 56 D HN 0.723 nan 8.370 nan 0.000 0.456 57 E N 0.889 121.094 120.200 0.008 0.000 2.110 57 E HA -0.123 3.890 4.350 -0.562 0.000 0.193 57 E C 2.141 178.730 176.600 -0.019 0.000 0.988 57 E CA 0.996 57.412 56.400 0.026 0.000 0.804 57 E CB -0.026 29.734 29.700 0.101 0.000 0.745 57 E HN 0.210 nan 8.360 nan 0.000 0.458 58 A N 1.261 124.071 122.820 -0.018 0.000 1.872 58 A HA -0.216 3.767 4.320 -0.562 0.000 0.214 58 A C 2.088 179.629 177.584 -0.072 0.000 1.187 58 A CA 1.191 53.200 52.037 -0.047 0.000 0.614 58 A CB -0.391 18.586 19.000 -0.038 0.000 0.826 58 A HN 0.141 nan 8.150 nan 0.000 0.442 59 Q N -0.510 119.261 119.800 -0.049 0.000 2.061 59 Q HA -0.181 3.822 4.340 -0.562 0.000 0.204 59 Q C 2.381 178.361 176.000 -0.032 0.000 0.984 59 Q CA 1.751 57.537 55.803 -0.029 0.000 0.846 59 Q CB -0.372 28.363 28.738 -0.005 0.000 0.902 59 Q HN 0.633 nan 8.270 nan 0.000 0.421 60 S N 0.544 116.221 115.700 -0.039 0.000 2.402 60 S HA -0.136 3.997 4.470 -0.562 0.000 0.233 60 S C 1.203 175.759 174.600 -0.073 0.000 1.030 60 S CA 1.161 59.334 58.200 -0.044 0.000 1.003 60 S CB 0.037 63.213 63.200 -0.040 0.000 0.813 60 S HN 0.232 nan 8.310 nan 0.000 0.477 61 K N 1.224 121.552 120.400 -0.119 0.000 2.570 61 K HA 0.172 4.155 4.320 -0.562 0.000 0.210 61 K C 0.347 176.883 176.600 -0.106 0.000 1.048 61 K CA -0.331 55.866 56.287 -0.152 0.000 1.167 61 K CB 0.248 32.568 32.500 -0.300 0.000 0.892 61 K HN 0.299 nan 8.250 nan 0.000 0.480 62 R N 0.285 120.749 120.500 -0.061 0.000 2.640 62 R HA -0.015 3.988 4.340 -0.562 0.000 0.270 62 R C 0.831 177.112 176.300 -0.032 0.000 1.024 62 R CA 1.617 57.697 56.100 -0.034 0.000 1.085 62 R CB 0.208 30.503 30.300 -0.008 0.000 0.963 62 R HN 0.421 nan 8.270 nan 0.000 0.426 63 G N 4.229 113.016 108.800 -0.022 0.000 3.400 63 G HA2 -0.324 3.299 3.960 -0.562 0.000 0.209 63 G HA3 -0.324 3.299 3.960 -0.562 0.000 0.209 63 G C 0.816 175.701 174.900 -0.024 0.000 1.411 63 G CA 0.287 45.376 45.100 -0.019 0.000 0.917 63 G HN 0.727 nan 8.290 nan 0.000 0.570 64 I N 0.254 120.799 120.570 -0.042 0.000 3.251 64 I HA 0.537 4.370 4.170 -0.562 0.000 0.277 64 I C 0.616 176.707 176.117 -0.044 0.000 1.268 64 I CA 0.455 61.728 61.300 -0.044 0.000 1.449 64 I CB -0.089 37.873 38.000 -0.063 0.000 1.083 64 I HN 0.181 nan 8.210 nan 0.000 0.464 65 L N 0.763 121.956 121.223 -0.051 0.000 2.401 65 L HA 0.472 4.475 4.340 -0.562 0.000 0.266 65 L C -0.428 176.434 176.870 -0.014 0.000 0.991 65 L CA -0.564 54.255 54.840 -0.035 0.000 0.818 65 L CB 2.262 44.278 42.059 -0.071 0.000 1.321 65 L HN -0.113 nan 8.230 nan 0.000 0.413 66 T N 3.560 118.116 114.554 0.004 0.000 2.817 66 T HA 0.490 4.503 4.350 -0.562 0.000 0.293 66 T C -0.010 174.700 174.700 0.017 0.000 0.964 66 T CA -0.320 61.789 62.100 0.015 0.000 1.085 66 T CB 0.539 69.419 68.868 0.020 0.000 0.921 66 T HN 0.236 nan 8.240 nan 0.000 0.502 67 L N 3.918 125.161 121.223 0.032 0.000 2.334 67 L HA 0.536 4.539 4.340 -0.562 0.000 0.277 67 L C 0.366 177.275 176.870 0.066 0.000 1.075 67 L CA -0.617 54.239 54.840 0.026 0.000 0.804 67 L CB 0.825 42.917 42.059 0.056 0.000 1.174 67 L HN 0.442 nan 8.230 nan 0.000 0.438 68 K N 2.757 123.154 120.400 -0.005 0.000 2.443 68 K HA 0.443 4.426 4.320 -0.562 0.000 0.252 68 K C -1.681 174.888 176.600 -0.051 0.000 0.933 68 K CA -0.704 55.609 56.287 0.044 0.000 0.792 68 K CB 2.189 34.689 32.500 0.001 0.000 1.185 68 K HN 0.244 nan 8.250 nan 0.000 0.425 69 Y N 2.978 123.245 120.300 -0.056 0.000 2.717 69 Y HA 0.169 4.382 4.550 -0.563 0.000 0.329 69 Y C -1.457 174.382 175.900 -0.102 0.000 1.017 69 Y CA -2.278 55.779 58.100 -0.072 0.000 1.275 69 Y CB 0.720 39.144 38.460 -0.060 0.000 1.109 69 Y HN 0.511 nan 8.280 nan 0.000 0.511 70 P HA -0.110 nan 4.420 nan 0.000 0.225 70 P C 0.047 177.244 177.300 -0.173 0.000 1.148 70 P CA 1.342 64.354 63.100 -0.147 0.000 0.779 70 P CB 0.809 32.374 31.700 -0.225 0.000 0.780 71 I N 0.337 120.843 120.570 -0.107 0.000 2.355 71 I HA 0.259 4.092 4.170 -0.562 0.000 0.288 71 I C 0.598 176.696 176.117 -0.032 0.000 0.999 71 I CA -0.639 60.600 61.300 -0.102 0.000 1.163 71 I CB 1.618 39.556 38.000 -0.103 0.000 1.316 71 I HN -0.164 nan 8.210 nan 0.000 0.454 75 I N 2.459 123.024 120.570 -0.008 0.000 2.359 75 I HA 0.453 4.286 4.170 -0.562 0.000 0.294 75 I C 0.365 176.421 176.117 -0.101 0.000 0.987 75 I CA -1.314 59.970 61.300 -0.027 0.000 1.225 75 I CB 1.428 39.429 38.000 0.001 0.000 1.366 75 I HN -0.036 nan 8.210 nan 0.000 0.466 76 I N 5.597 126.062 120.570 -0.175 0.000 2.598 76 I HA -0.018 3.815 4.170 -0.562 0.000 0.284 76 I C 1.397 177.261 176.117 -0.421 0.000 1.140 76 I CA 0.354 61.413 61.300 -0.401 0.000 1.420 76 I CB 0.715 38.284 38.000 -0.718 0.000 1.387 76 I HN 0.727 nan 8.210 nan 0.000 0.553 77 T N 0.843 115.169 114.554 -0.379 0.000 2.959 77 T HA 0.112 4.125 4.350 -0.562 0.000 0.254 77 T C 0.527 175.052 174.700 -0.292 0.000 1.003 77 T CA -0.230 61.715 62.100 -0.257 0.000 0.950 77 T CB 0.177 68.970 68.868 -0.125 0.000 1.090 77 T HN 0.529 nan 8.240 nan 0.000 0.503 78 N N -0.421 118.031 118.700 -0.413 0.000 2.519 78 N HA 0.212 4.615 4.740 -0.562 0.000 0.286 78 N C -0.765 174.527 175.510 -0.363 0.000 1.079 78 N CA -0.527 52.358 53.050 -0.275 0.000 0.878 78 N CB 1.297 39.706 38.487 -0.131 0.000 1.375 78 N HN 0.240 nan 8.380 nan 0.000 0.514 79 W N 1.860 123.166 121.300 0.010 0.000 2.436 79 W HA 0.053 4.374 4.660 -0.564 0.000 0.284 79 W C 1.594 178.132 176.519 0.031 0.000 1.225 79 W CA 0.161 57.522 57.345 0.027 0.000 1.271 79 W CB 0.319 29.826 29.460 0.079 0.000 1.114 79 W HN 0.489 nan 8.180 nan 0.000 0.559 80 D N 0.241 120.759 120.400 0.196 0.000 2.144 80 D HA -0.153 4.150 4.640 -0.562 0.000 0.200 80 D C 1.405 177.744 176.300 0.065 0.000 0.978 80 D CA 1.405 55.485 54.000 0.134 0.000 0.833 80 D CB -0.412 40.446 40.800 0.095 0.000 0.961 80 D HN 0.180 nan 8.370 nan 0.000 0.470 81 D N 0.287 120.684 120.400 -0.005 0.000 2.149 81 D HA -0.096 4.207 4.640 -0.562 0.000 0.201 81 D C 2.004 178.233 176.300 -0.119 0.000 0.972 81 D CA 0.436 54.402 54.000 -0.056 0.000 0.835 81 D CB -0.154 40.593 40.800 -0.089 0.000 0.966 81 D HN 0.096 nan 8.370 nan 0.000 0.476 82 M N 1.163 120.634 119.600 -0.215 0.000 2.159 82 M HA -0.121 4.022 4.480 -0.562 0.000 0.263 82 M C 1.848 177.939 176.300 -0.350 0.000 1.063 82 M CA 1.361 56.375 55.300 -0.477 0.000 1.110 82 M CB -0.205 31.979 32.600 -0.693 0.000 1.374 82 M HN -0.060 nan 8.290 nan 0.000 0.411 83 E N -0.470 119.771 120.200 0.068 0.000 2.110 83 E HA -0.230 3.783 4.350 -0.562 0.000 0.193 83 E C 1.622 178.476 176.600 0.424 0.000 0.988 83 E CA 1.115 57.774 56.400 0.431 0.000 0.804 83 E CB 0.123 30.046 29.700 0.372 0.000 0.745 83 E HN 0.343 nan 8.360 nan 0.000 0.458 84 K N 0.463 120.986 120.400 0.204 0.000 2.097 84 K HA -0.100 3.883 4.320 -0.562 0.000 0.205 84 K C 2.202 178.937 176.600 0.224 0.000 1.050 84 K CA 0.834 57.238 56.287 0.195 0.000 0.938 84 K CB -0.368 32.171 32.500 0.065 0.000 0.718 84 K HN 0.332 nan 8.250 nan 0.000 0.442 85 I N -0.449 120.166 120.570 0.074 0.000 2.179 85 I HA -0.260 3.573 4.170 -0.562 0.000 0.242 85 I C 2.245 178.461 176.117 0.165 0.000 1.088 85 I CA 1.067 62.411 61.300 0.074 0.000 1.357 85 I CB -0.283 37.630 38.000 -0.146 0.000 1.051 85 I HN 0.190 nan 8.210 nan 0.000 0.409 86 W N 0.601 121.953 121.300 0.086 0.000 2.363 86 W HA -0.194 4.130 4.660 -0.561 0.000 0.296 86 W C 2.688 179.069 176.519 -0.229 0.000 1.212 86 W CA 1.269 58.466 57.345 -0.247 0.000 1.260 86 W CB -1.383 27.901 29.460 -0.294 0.000 1.131 86 W HN 0.352 nan 8.180 nan 0.000 0.530 87 H N -0.708 118.634 119.070 0.454 0.000 2.353 87 H HA -0.212 4.007 4.556 -0.561 0.000 0.300 87 H C 2.091 177.674 175.328 0.426 0.000 1.090 87 H CA 2.359 58.790 56.048 0.639 0.000 1.327 87 H CB -0.449 29.676 29.762 0.605 0.000 1.383 87 H HN 0.162 nan 8.280 nan 0.000 0.508 88 H N 0.230 119.448 119.070 0.246 0.000 2.353 88 H HA -0.078 4.140 4.556 -0.562 0.000 0.300 88 H C 2.050 177.297 175.328 -0.136 0.000 1.090 88 H CA 2.423 58.493 56.048 0.036 0.000 1.327 88 H CB -0.150 29.573 29.762 -0.065 0.000 1.383 88 H HN 0.277 nan 8.280 nan 0.000 0.508 89 T N 0.225 114.719 114.554 -0.101 0.000 2.652 89 T HA -0.146 3.866 4.350 -0.562 0.000 0.267 89 T C 1.617 176.138 174.700 -0.298 0.000 1.039 89 T CA 1.645 63.632 62.100 -0.188 0.000 1.153 89 T CB -0.444 68.312 68.868 -0.187 0.000 0.863 89 T HN 0.180 nan 8.240 nan 0.000 0.428 90 F N 0.174 119.967 119.950 -0.261 0.000 2.084 90 F HA 0.088 4.277 4.527 -0.565 0.000 0.296 90 F C 2.145 177.610 175.800 -0.558 0.000 1.111 90 F CA 0.537 58.250 58.000 -0.479 0.000 1.224 90 F CB -1.073 37.506 39.000 -0.700 0.000 0.991 90 F HN 0.186 nan 8.300 nan 0.000 0.471 91 Y N -0.678 119.566 120.300 -0.093 0.000 2.448 91 Y HA 0.023 4.237 4.550 -0.560 0.000 0.289 91 Y C 1.863 177.661 175.900 -0.169 0.000 1.114 91 Y CA 0.944 58.947 58.100 -0.161 0.000 1.235 91 Y CB -0.734 37.531 38.460 -0.325 0.000 1.045 91 Y HN 0.119 nan 8.280 nan 0.000 0.554 92 N N -1.220 117.378 118.700 -0.170 0.000 2.545 92 N HA -0.050 4.353 4.740 -0.562 0.000 0.190 92 N C 1.478 176.785 175.510 -0.339 0.000 1.043 92 N CA 0.283 53.173 53.050 -0.268 0.000 0.879 92 N CB 0.322 38.544 38.487 -0.441 0.000 1.210 92 N HN 0.082 nan 8.380 nan 0.000 0.437 93 E N 1.275 121.197 120.200 -0.463 0.000 2.024 93 E HA 0.058 4.071 4.350 -0.562 0.000 0.190 93 E C 2.032 178.545 176.600 -0.144 0.000 0.974 93 E CA 0.656 56.866 56.400 -0.316 0.000 0.810 93 E CB -0.120 29.376 29.700 -0.341 0.000 0.775 93 E HN 0.264 nan 8.360 nan 0.000 0.453 94 L N 0.067 121.213 121.223 -0.128 0.000 2.240 94 L HA 0.080 4.083 4.340 -0.562 0.000 0.211 94 L C 0.430 177.291 176.870 -0.014 0.000 1.106 94 L CA 0.239 55.046 54.840 -0.054 0.000 0.793 94 L CB -0.163 41.820 42.059 -0.127 0.000 0.927 94 L HN 0.108 nan 8.230 nan 0.000 0.446 95 R N 0.247 120.708 120.500 -0.065 0.000 3.267 95 R HA -0.129 3.874 4.340 -0.562 0.000 0.254 95 R C -0.653 175.640 176.300 -0.012 0.000 0.993 95 R CA 0.486 56.568 56.100 -0.031 0.000 0.670 95 R CB -2.058 28.245 30.300 0.006 0.000 1.125 95 R HN 0.345 nan 8.270 nan 0.000 0.434 96 V N -3.478 116.381 119.914 -0.092 0.000 3.113 96 V HA 0.936 4.719 4.120 -0.562 0.000 0.316 96 V C 0.128 176.115 176.094 -0.179 0.000 1.125 96 V CA -0.559 61.709 62.300 -0.053 0.000 1.026 96 V CB 2.333 34.091 31.823 -0.108 0.000 1.080 96 V HN 0.238 nan 8.190 nan 0.000 0.444 97 A N 2.887 125.689 122.820 -0.029 0.000 2.366 97 A HA 0.680 4.663 4.320 -0.562 0.000 0.322 97 A C -1.052 176.457 177.584 -0.125 0.000 1.397 97 A CA -1.495 50.490 52.037 -0.086 0.000 0.984 97 A CB 0.213 19.213 19.000 0.002 0.000 1.149 97 A HN 0.821 nan 8.150 nan 0.000 0.540 98 P HA -0.263 nan 4.420 nan 0.000 0.217 98 P C 1.017 178.140 177.300 -0.295 0.000 1.148 98 P CA 1.542 64.287 63.100 -0.592 0.000 0.828 98 P CB 0.196 31.193 31.700 -1.172 0.000 0.783 99 E N 0.937 121.033 120.200 -0.173 0.000 2.409 99 E HA -0.174 3.839 4.350 -0.562 0.000 0.198 99 E C 1.006 177.510 176.600 -0.160 0.000 1.024 99 E CA 0.995 57.325 56.400 -0.117 0.000 0.861 99 E CB -0.595 29.075 29.700 -0.050 0.000 0.788 99 E HN 0.432 nan 8.360 nan 0.000 0.521 100 E N 0.067 120.123 120.200 -0.241 0.000 2.481 100 E HA 0.106 4.119 4.350 -0.562 0.000 0.198 100 E C -0.192 176.019 176.600 -0.649 0.000 1.027 100 E CA -0.025 56.125 56.400 -0.415 0.000 0.900 100 E CB 0.304 29.715 29.700 -0.482 0.000 0.993 100 E HN 0.320 nan 8.360 nan 0.000 0.482 101 H N 0.418 119.376 119.070 -0.186 0.000 2.667 101 H HA 0.300 4.517 4.556 -0.564 0.000 0.353 101 H C -2.635 172.509 175.328 -0.307 0.000 1.072 101 H CA -2.414 53.508 56.048 -0.209 0.000 1.214 101 H CB 1.701 31.359 29.762 -0.174 0.000 1.600 101 H HN -0.110 nan 8.280 nan 0.000 0.527 102 P HA 0.081 nan 4.420 nan 0.000 0.271 102 P C -0.374 176.655 177.300 -0.452 0.000 1.216 102 P CA 0.079 62.770 63.100 -0.683 0.000 0.776 102 P CB 0.722 31.532 31.700 -1.484 0.000 0.881 103 T N 3.584 117.989 114.554 -0.248 0.000 2.812 103 T HA 0.454 4.467 4.350 -0.562 0.000 0.282 103 T C -0.475 174.374 174.700 0.250 0.000 0.990 103 T CA -0.486 61.614 62.100 -0.001 0.000 0.960 103 T CB 0.471 69.303 68.868 -0.060 0.000 0.948 103 T HN 0.231 nan 8.240 nan 0.000 0.438 104 L N 5.059 126.462 121.223 0.300 0.000 2.282 104 L HA 0.675 4.678 4.340 -0.562 0.000 0.288 104 L C -1.271 175.651 176.870 0.085 0.000 1.033 104 L CA -0.694 54.301 54.840 0.259 0.000 0.807 104 L CB 0.460 42.632 42.059 0.188 0.000 1.209 104 L HN 0.564 nan 8.230 nan 0.000 0.423 105 L N 3.590 124.847 121.223 0.056 0.000 2.319 105 L HA 0.651 4.654 4.340 -0.562 0.000 0.267 105 L C 0.092 176.985 176.870 0.037 0.000 1.011 105 L CA -0.697 54.158 54.840 0.026 0.000 0.818 105 L CB 2.253 44.303 42.059 -0.016 0.000 1.316 105 L HN 0.621 nan 8.230 nan 0.000 0.432 106 T N -1.599 112.988 114.554 0.056 0.000 2.940 106 T HA 0.699 4.712 4.350 -0.562 0.000 0.288 106 T C -0.715 174.017 174.700 0.053 0.000 1.033 106 T CA -0.734 61.388 62.100 0.036 0.000 1.033 106 T CB 2.046 70.933 68.868 0.031 0.000 1.079 106 T HN 0.745 nan 8.240 nan 0.000 0.496 107 E N 0.720 120.933 120.200 0.021 0.000 2.367 107 E HA 0.679 4.692 4.350 -0.562 0.000 0.273 107 E C -0.668 175.921 176.600 -0.019 0.000 0.903 107 E CA -1.599 54.818 56.400 0.028 0.000 0.764 107 E CB 1.717 31.442 29.700 0.042 0.000 1.252 107 E HN 0.855 nan 8.360 nan 0.000 0.446 108 A N 2.111 124.917 122.820 -0.024 0.000 2.346 108 A HA 0.465 4.448 4.320 -0.562 0.000 0.252 108 A C -2.243 175.253 177.584 -0.146 0.000 1.089 108 A CA -1.184 50.800 52.037 -0.089 0.000 0.797 108 A CB -0.407 18.560 19.000 -0.055 0.000 1.047 108 A HN 0.520 nan 8.150 nan 0.000 0.494 109 P HA 0.330 nan 4.420 nan 0.000 0.271 109 P C -0.050 177.132 177.300 -0.198 0.000 1.216 109 P CA 0.137 63.062 63.100 -0.291 0.000 0.776 109 P CB 0.290 31.699 31.700 -0.485 0.000 0.881 110 L N -1.619 119.534 121.223 -0.116 0.000 4.089 110 L HA -0.264 3.739 4.340 -0.562 0.000 0.408 110 L C 0.349 177.213 176.870 -0.010 0.000 1.184 110 L CA -0.051 54.759 54.840 -0.051 0.000 0.947 110 L CB -1.996 40.040 42.059 -0.038 0.000 2.066 110 L HN 0.491 nan 8.230 nan 0.000 0.851 111 N N 1.728 120.425 118.700 -0.004 0.000 2.475 111 N HA 0.326 4.729 4.740 -0.562 0.000 0.267 111 N C -2.103 173.449 175.510 0.070 0.000 1.169 111 N CA -1.065 52.010 53.050 0.042 0.000 0.947 111 N CB 0.817 39.335 38.487 0.052 0.000 1.061 111 N HN -0.052 nan 8.380 nan 0.000 0.466 112 P HA 0.026 nan 4.420 nan 0.000 0.266 112 P C 0.222 177.601 177.300 0.132 0.000 1.195 112 P CA 0.022 63.181 63.100 0.099 0.000 0.768 112 P CB 0.581 32.348 31.700 0.112 0.000 0.838 113 K N 2.188 122.655 120.400 0.111 0.000 2.103 113 K HA -0.174 3.808 4.320 -0.562 0.000 0.207 113 K C 1.909 178.674 176.600 0.274 0.000 1.048 113 K CA 1.763 58.165 56.287 0.191 0.000 0.930 113 K CB -0.543 31.928 32.500 -0.048 0.000 0.716 113 K HN 0.464 nan 8.250 nan 0.000 0.444 114 A N 1.883 124.807 122.820 0.173 0.000 1.940 114 A HA -0.218 3.765 4.320 -0.562 0.000 0.219 114 A C 1.764 179.432 177.584 0.139 0.000 1.176 114 A CA 1.860 53.983 52.037 0.142 0.000 0.631 114 A CB -0.550 18.514 19.000 0.107 0.000 0.814 114 A HN 0.266 nan 8.150 nan 0.000 0.446 115 N N -0.685 118.148 118.700 0.222 0.000 2.142 115 N HA -0.124 4.279 4.740 -0.562 0.000 0.186 115 N C 1.837 177.522 175.510 0.291 0.000 1.023 115 N CA 1.444 54.714 53.050 0.367 0.000 0.852 115 N CB -0.327 38.406 38.487 0.410 0.000 0.998 115 N HN 0.565 nan 8.380 nan 0.000 0.424 116 R N 1.083 121.714 120.500 0.218 0.000 2.096 116 R HA -0.079 3.923 4.340 -0.562 0.000 0.235 116 R C 1.502 177.837 176.300 0.058 0.000 1.127 116 R CA 1.342 57.530 56.100 0.147 0.000 0.968 116 R CB 0.016 30.393 30.300 0.129 0.000 0.861 116 R HN 0.382 nan 8.270 nan 0.000 0.440 117 E N -0.073 120.153 120.200 0.044 0.000 2.072 117 E HA -0.215 3.798 4.350 -0.562 0.000 0.191 117 E C 1.881 178.455 176.600 -0.045 0.000 0.985 117 E CA 1.080 57.475 56.400 -0.009 0.000 0.801 117 E CB 0.021 29.744 29.700 0.038 0.000 0.750 117 E HN 0.060 nan 8.360 nan 0.000 0.452 118 K N 1.139 121.441 120.400 -0.163 0.000 2.057 118 K HA -0.090 3.893 4.320 -0.562 0.000 0.206 118 K C 1.922 178.365 176.600 -0.263 0.000 1.050 118 K CA 1.312 57.346 56.287 -0.421 0.000 0.935 118 K CB -0.116 31.708 32.500 -1.127 0.000 0.715 118 K HN 0.048 nan 8.250 nan 0.000 0.439 119 M N -0.276 119.306 119.600 -0.031 0.000 2.080 119 M HA -0.168 3.975 4.480 -0.562 0.000 0.260 119 M C 1.931 178.228 176.300 -0.006 0.000 1.068 119 M CA 2.170 57.602 55.300 0.220 0.000 1.109 119 M CB -0.537 32.256 32.600 0.322 0.000 1.342 119 M HN 0.115 nan 8.290 nan 0.000 0.405 120 T N -0.126 114.406 114.554 -0.037 0.000 2.746 120 T HA -0.183 3.830 4.350 -0.562 0.000 0.267 120 T C 1.826 176.467 174.700 -0.098 0.000 1.039 120 T CA 1.221 63.263 62.100 -0.097 0.000 1.142 120 T CB -0.303 68.575 68.868 0.018 0.000 0.866 120 T HN 0.401 nan 8.240 nan 0.000 0.444 121 Q N 0.877 120.677 119.800 0.000 0.000 2.084 121 Q HA -0.083 3.920 4.340 -0.562 0.000 0.202 121 Q C 2.304 178.314 176.000 0.017 0.000 0.978 121 Q CA 1.411 57.244 55.803 0.050 0.000 0.844 121 Q CB -0.423 28.367 28.738 0.086 0.000 0.898 121 Q HN 0.557 nan 8.270 nan 0.000 0.426 122 I N 0.356 120.945 120.570 0.033 0.000 2.202 122 I HA -0.290 3.543 4.170 -0.562 0.000 0.242 122 I C 2.514 178.692 176.117 0.102 0.000 1.091 122 I CA 0.820 62.191 61.300 0.118 0.000 1.368 122 I CB -0.308 37.896 38.000 0.340 0.000 1.058 122 I HN 0.210 nan 8.210 nan 0.000 0.410 123 M N -0.136 119.442 119.600 -0.037 0.000 2.108 123 M HA -0.196 3.947 4.480 -0.562 0.000 0.261 123 M C 2.348 178.539 176.300 -0.180 0.000 1.066 123 M CA 2.062 57.288 55.300 -0.123 0.000 1.107 123 M CB -1.030 31.294 32.600 -0.459 0.000 1.356 123 M HN 0.142 nan 8.290 nan 0.000 0.406 124 F N 0.571 120.410 119.950 -0.186 0.000 2.187 124 F HA -0.071 4.118 4.527 -0.564 0.000 0.295 124 F C 2.425 178.153 175.800 -0.120 0.000 1.091 124 F CA 1.046 58.901 58.000 -0.242 0.000 1.308 124 F CB -0.635 37.985 39.000 -0.634 0.000 1.030 124 F HN 0.273 nan 8.300 nan 0.000 0.487 125 E N -1.089 119.168 120.200 0.095 0.000 2.122 125 E HA -0.056 3.957 4.350 -0.562 0.000 0.190 125 E C 1.909 178.503 176.600 -0.011 0.000 0.977 125 E CA 1.479 57.921 56.400 0.070 0.000 0.820 125 E CB -0.290 29.464 29.700 0.091 0.000 0.770 125 E HN 0.270 nan 8.360 nan 0.000 0.462 126 T N 0.404 114.906 114.554 -0.088 0.000 2.901 126 T HA 0.021 4.033 4.350 -0.562 0.000 0.252 126 T C 1.179 175.623 174.700 -0.427 0.000 1.035 126 T CA 0.693 62.609 62.100 -0.307 0.000 1.142 126 T CB -0.080 68.488 68.868 -0.501 0.000 0.869 126 T HN 0.037 nan 8.240 nan 0.000 0.442 127 F N 1.418 121.413 119.950 0.075 0.000 2.749 127 F HA 0.368 4.558 4.527 -0.561 0.000 0.300 127 F C 0.944 176.707 175.800 -0.061 0.000 1.103 127 F CA -0.543 57.468 58.000 0.019 0.000 1.342 127 F CB -0.440 38.540 39.000 -0.034 0.000 1.098 127 F HN 0.051 nan 8.300 nan 0.000 0.586 128 N N 0.988 119.739 118.700 0.086 0.000 2.727 128 N HA -0.152 4.250 4.740 -0.562 0.000 0.249 128 N C -0.158 175.371 175.510 0.032 0.000 1.048 128 N CA 0.779 53.873 53.050 0.074 0.000 0.714 128 N CB -1.757 36.762 38.487 0.054 0.000 0.959 128 N HN 0.248 nan 8.380 nan 0.000 0.544 129 V N -1.576 118.320 119.914 -0.031 0.000 2.963 129 V HA 0.209 3.992 4.120 -0.562 0.000 0.306 129 V C -0.439 175.665 176.094 0.016 0.000 1.077 129 V CA -0.814 61.414 62.300 -0.120 0.000 1.124 129 V CB 0.888 32.548 31.823 -0.272 0.000 0.987 129 V HN -0.030 nan 8.190 nan 0.000 0.487 130 P HA 0.215 nan 4.420 nan 0.000 0.222 130 P C 0.312 177.680 177.300 0.114 0.000 1.153 130 P CA 1.547 64.660 63.100 0.022 0.000 0.798 130 P CB 0.427 32.075 31.700 -0.087 0.000 0.796 131 A N -0.555 122.273 122.820 0.012 0.000 2.601 131 A HA 0.755 4.738 4.320 -0.562 0.000 0.291 131 A C -0.900 176.654 177.584 -0.050 0.000 1.075 131 A CA -0.667 51.426 52.037 0.092 0.000 0.671 131 A CB 1.051 20.010 19.000 -0.069 0.000 1.277 131 A HN 0.105 nan 8.150 nan 0.000 0.417 132 M N -0.448 119.280 119.600 0.214 0.000 2.880 132 M HA 0.890 5.033 4.480 -0.562 0.000 0.269 132 M C -1.730 174.918 176.300 0.580 0.000 1.248 132 M CA -0.667 54.791 55.300 0.265 0.000 0.821 132 M CB 2.024 34.504 32.600 -0.200 0.000 1.650 132 M HN 1.178 nan 8.290 nan 0.000 0.479 133 Y N -0.022 120.434 120.300 0.258 0.000 2.521 133 Y HA 0.690 4.915 4.550 -0.542 0.000 0.332 133 Y C -2.247 173.661 175.900 0.013 0.000 1.121 133 Y CA -0.724 57.421 58.100 0.075 0.000 1.037 133 Y CB 2.110 40.467 38.460 -0.171 0.000 1.330 133 Y HN 0.664 nan 8.280 nan 0.000 0.452 134 V N 4.681 124.316 119.914 -0.465 0.000 2.487 134 V HA 0.921 4.704 4.120 -0.562 0.000 0.298 134 V C -0.463 175.430 176.094 -0.336 0.000 1.028 134 V CA -0.313 61.832 62.300 -0.258 0.000 0.860 134 V CB 1.165 32.888 31.823 -0.167 0.000 0.991 134 V HN 0.906 nan 8.190 nan 0.000 0.427 135 A N 5.089 127.854 122.820 -0.092 0.000 2.380 135 A HA 0.884 4.866 4.320 -0.562 0.000 0.315 135 A C -0.628 176.926 177.584 -0.049 0.000 1.101 135 A CA -0.758 51.259 52.037 -0.034 0.000 0.771 135 A CB 1.049 20.102 19.000 0.088 0.000 1.287 135 A HN 0.771 nan 8.150 nan 0.000 0.436 136 I N 1.952 122.479 120.570 -0.071 0.000 2.496 136 I HA 0.008 3.841 4.170 -0.562 0.000 0.285 136 I C 1.434 177.485 176.117 -0.110 0.000 1.080 136 I CA 0.026 61.272 61.300 -0.090 0.000 1.404 136 I CB 1.073 39.006 38.000 -0.111 0.000 1.403 136 I HN 0.904 nan 8.210 nan 0.000 0.539 137 Q N 4.616 124.363 119.800 -0.088 0.000 2.096 137 Q HA -0.273 3.730 4.340 -0.562 0.000 0.208 137 Q C 2.282 178.219 176.000 -0.104 0.000 0.993 137 Q CA 2.319 58.077 55.803 -0.075 0.000 0.862 137 Q CB -0.204 28.507 28.738 -0.046 0.000 0.915 137 Q HN 0.915 nan 8.270 nan 0.000 0.416 138 A N 0.171 122.915 122.820 -0.127 0.000 1.940 138 A HA -0.162 3.821 4.320 -0.562 0.000 0.219 138 A C 2.344 179.817 177.584 -0.184 0.000 1.176 138 A CA 1.541 53.499 52.037 -0.131 0.000 0.631 138 A CB -0.728 18.189 19.000 -0.139 0.000 0.814 138 A HN 0.237 nan 8.150 nan 0.000 0.446 139 V N 0.134 119.896 119.914 -0.252 0.000 2.343 139 V HA -0.251 3.531 4.120 -0.562 0.000 0.247 139 V C 2.547 178.263 176.094 -0.631 0.000 1.051 139 V CA 1.883 63.919 62.300 -0.440 0.000 1.036 139 V CB -0.769 30.789 31.823 -0.443 0.000 0.654 139 V HN 0.575 nan 8.190 nan 0.000 0.451 140 L N -0.243 120.741 121.223 -0.398 0.000 2.046 140 L HA -0.168 3.835 4.340 -0.562 0.000 0.208 140 L C 2.622 179.417 176.870 -0.126 0.000 1.077 140 L CA 1.662 56.348 54.840 -0.256 0.000 0.747 140 L CB -0.671 41.321 42.059 -0.112 0.000 0.896 140 L HN 0.304 nan 8.230 nan 0.000 0.432 141 S N -0.024 115.616 115.700 -0.101 0.000 2.382 141 S HA -0.165 3.968 4.470 -0.562 0.000 0.228 141 S C 1.838 176.425 174.600 -0.021 0.000 1.027 141 S CA 1.123 59.304 58.200 -0.031 0.000 0.991 141 S CB -0.250 62.935 63.200 -0.026 0.000 0.823 141 S HN 0.226 nan 8.310 nan 0.000 0.469 142 L N 0.645 121.821 121.223 -0.078 0.000 2.056 142 L HA -0.035 3.968 4.340 -0.562 0.000 0.207 142 L C 1.913 178.844 176.870 0.101 0.000 1.078 142 L CA 1.730 56.558 54.840 -0.020 0.000 0.749 142 L CB -0.769 41.246 42.059 -0.072 0.000 0.901 142 L HN 0.232 nan 8.230 nan 0.000 0.433 143 Y N -0.069 120.212 120.300 -0.031 0.000 2.207 143 Y HA -0.139 4.183 4.550 -0.380 0.000 0.287 143 Y C 2.610 178.491 175.900 -0.032 0.000 1.156 143 Y CA 0.588 58.661 58.100 -0.045 0.000 1.182 143 Y CB -1.584 36.835 38.460 -0.068 0.000 0.979 143 Y HN 0.299 nan 8.280 nan 0.000 0.521 144 A N -0.390 122.517 122.820 0.146 0.000 2.070 144 A HA -0.144 3.839 4.320 -0.562 0.000 0.220 144 A C 2.270 179.898 177.584 0.074 0.000 1.159 144 A CA 1.800 53.892 52.037 0.093 0.000 0.656 144 A CB -0.826 18.224 19.000 0.083 0.000 0.800 144 A HN 0.435 nan 8.150 nan 0.000 0.453 145 S N -1.965 113.777 115.700 0.071 0.000 2.556 145 S HA 0.403 4.536 4.470 -0.562 0.000 0.216 145 S C 1.171 175.801 174.600 0.051 0.000 0.970 145 S CA 0.902 59.135 58.200 0.055 0.000 0.912 145 S CB -0.349 62.879 63.200 0.048 0.000 0.790 145 S HN 1.918 nan 8.310 nan 0.000 0.504 146 G N 2.143 110.977 108.800 0.057 0.000 2.212 146 G HA2 -0.243 3.380 3.960 -0.562 0.000 0.255 146 G HA3 -0.243 3.380 3.960 -0.562 0.000 0.255 146 G C -0.139 174.779 174.900 0.030 0.000 1.062 146 G CA 0.123 45.241 45.100 0.031 0.000 0.815 146 G HN 0.988 nan 8.290 nan 0.000 0.497 147 R N -2.603 117.937 120.500 0.067 0.000 2.781 147 R HA 0.783 4.786 4.340 -0.562 0.000 0.269 147 R C 0.533 176.905 176.300 0.120 0.000 1.025 147 R CA -0.164 55.972 56.100 0.059 0.000 0.914 147 R CB 0.642 30.970 30.300 0.047 0.000 1.236 147 R HN 0.479 nan 8.270 nan 0.000 0.465 148 T N -3.082 111.518 114.554 0.076 0.000 3.040 148 T HA 0.229 4.242 4.350 -0.562 0.000 0.266 148 T C -0.102 174.619 174.700 0.036 0.000 1.005 148 T CA -0.039 62.131 62.100 0.116 0.000 0.906 148 T CB 0.347 69.248 68.868 0.056 0.000 1.082 148 T HN 0.508 nan 8.240 nan 0.000 0.531 149 T N 0.878 115.441 114.554 0.015 0.000 2.916 149 T HA 0.744 4.757 4.350 -0.562 0.000 0.298 149 T C -0.193 174.535 174.700 0.047 0.000 1.031 149 T CA -0.128 61.984 62.100 0.019 0.000 0.993 149 T CB 1.700 70.561 68.868 -0.011 0.000 1.045 149 T HN 0.749 nan 8.240 nan 0.000 0.454 150 G N 1.277 110.109 108.800 0.053 0.000 2.359 150 G HA2 0.386 4.009 3.960 -0.562 0.000 0.293 150 G HA3 0.386 4.009 3.960 -0.562 0.000 0.293 150 G C -2.145 172.755 174.900 -0.000 0.000 1.300 150 G CA -0.874 44.246 45.100 0.033 0.000 0.888 150 G HN 0.862 nan 8.290 nan 0.000 0.541 151 I N 0.578 121.140 120.570 -0.014 0.000 2.436 151 I HA 0.651 4.484 4.170 -0.562 0.000 0.289 151 I C -0.494 175.607 176.117 -0.026 0.000 1.010 151 I CA -1.073 60.203 61.300 -0.040 0.000 1.098 151 I CB 1.596 39.556 38.000 -0.067 0.000 1.266 151 I HN 0.372 nan 8.210 nan 0.000 0.434 152 V N 7.899 127.790 119.914 -0.038 0.000 2.439 152 V HA 0.289 4.072 4.120 -0.562 0.000 0.282 152 V C -0.240 175.843 176.094 -0.018 0.000 1.039 152 V CA -0.633 61.651 62.300 -0.027 0.000 0.913 152 V CB 1.519 33.316 31.823 -0.044 0.000 0.983 152 V HN 0.543 nan 8.190 nan 0.000 0.460 153 L N 4.759 125.979 121.223 -0.005 0.000 2.277 153 L HA 0.591 4.594 4.340 -0.562 0.000 0.284 153 L C -0.554 176.317 176.870 0.001 0.000 1.028 153 L CA 0.238 55.076 54.840 -0.003 0.000 0.835 153 L CB 1.019 43.078 42.059 -0.001 0.000 1.215 153 L HN 0.633 nan 8.230 nan 0.000 0.425 154 D N 2.968 123.375 120.400 0.012 0.000 2.381 154 D HA 0.379 4.682 4.640 -0.562 0.000 0.235 154 D C -1.341 174.969 176.300 0.017 0.000 1.068 154 D CA 0.099 54.110 54.000 0.019 0.000 0.832 154 D CB 1.643 42.462 40.800 0.031 0.000 1.101 154 D HN 0.441 nan 8.370 nan 0.000 0.515 155 S N 2.335 118.034 115.700 -0.002 0.000 2.707 155 S HA 0.724 4.857 4.470 -0.562 0.000 0.303 155 S C 0.174 174.766 174.600 -0.014 0.000 1.132 155 S CA -0.454 57.736 58.200 -0.017 0.000 1.046 155 S CB 0.960 64.144 63.200 -0.027 0.000 1.004 155 S HN 0.530 nan 8.310 nan 0.000 0.483 156 G N 2.747 111.541 108.800 -0.012 0.000 3.434 156 G HA2 0.239 3.862 3.960 -0.562 0.000 0.197 156 G HA3 0.239 3.862 3.960 -0.562 0.000 0.197 156 G C 0.197 175.087 174.900 -0.016 0.000 1.559 156 G CA 0.077 45.169 45.100 -0.013 0.000 0.852 156 G HN 0.622 nan 8.290 nan 0.000 0.682 157 D N -1.683 118.710 120.400 -0.011 0.000 2.324 157 D HA 0.174 4.477 4.640 -0.562 0.000 0.212 157 D C 2.056 178.345 176.300 -0.019 0.000 0.984 157 D CA 1.259 55.254 54.000 -0.008 0.000 0.885 157 D CB 0.233 41.036 40.800 0.005 0.000 0.996 157 D HN 0.375 nan 8.370 nan 0.000 0.505 158 G N -0.473 108.313 108.800 -0.023 0.000 2.833 158 G HA2 0.339 3.962 3.960 -0.562 0.000 0.214 158 G HA3 0.339 3.962 3.960 -0.562 0.000 0.214 158 G C -0.198 174.664 174.900 -0.062 0.000 1.075 158 G CA 0.174 45.248 45.100 -0.044 0.000 0.799 158 G HN 0.197 nan 8.290 nan 0.000 0.541 159 V N -0.055 119.824 119.914 -0.059 0.000 3.147 159 V HA 0.756 4.539 4.120 -0.562 0.000 0.306 159 V C -1.495 174.521 176.094 -0.129 0.000 1.209 159 V CA -0.387 61.842 62.300 -0.119 0.000 1.023 159 V CB 2.387 34.137 31.823 -0.122 0.000 1.059 159 V HN 0.017 nan 8.190 nan 0.000 0.435 160 T N 3.474 117.886 114.554 -0.236 0.000 2.848 160 T HA 0.714 4.727 4.350 -0.562 0.000 0.285 160 T C -1.408 173.099 174.700 -0.322 0.000 0.995 160 T CA -0.223 61.765 62.100 -0.187 0.000 0.970 160 T CB 1.040 69.815 68.868 -0.154 0.000 0.976 160 T HN 0.826 nan 8.240 nan 0.000 0.441 161 H N 1.257 120.287 119.070 -0.066 0.000 2.821 161 H HA 0.504 4.724 4.556 -0.560 0.000 0.373 161 H C -0.328 174.956 175.328 -0.074 0.000 1.165 161 H CA -0.900 55.105 56.048 -0.071 0.000 1.154 161 H CB 1.368 31.089 29.762 -0.068 0.000 1.765 161 H HN 0.362 nan 8.280 nan 0.000 0.549 162 N N 1.628 120.365 118.700 0.061 0.000 2.446 162 N HA 0.292 4.695 4.740 -0.562 0.000 0.265 162 N C -1.308 174.184 175.510 -0.029 0.000 0.975 162 N CA -0.353 52.692 53.050 -0.009 0.000 0.928 162 N CB 2.460 40.923 38.487 -0.040 0.000 1.160 162 N HN 0.150 nan 8.380 nan 0.000 0.495 163 V N 4.117 123.997 119.914 -0.057 0.000 2.357 163 V HA 0.335 4.118 4.120 -0.562 0.000 0.281 163 V C -2.216 173.808 176.094 -0.118 0.000 1.015 163 V CA -1.549 60.687 62.300 -0.106 0.000 0.827 163 V CB 1.862 33.610 31.823 -0.125 0.000 1.018 163 V HN 0.491 nan 8.190 nan 0.000 0.432 164 P HA 0.494 nan 4.420 nan 0.000 0.281 164 P C -0.843 176.384 177.300 -0.122 0.000 1.252 164 P CA -0.115 62.909 63.100 -0.126 0.000 0.778 164 P CB 1.671 33.277 31.700 -0.157 0.000 0.895 165 I N 3.800 124.337 120.570 -0.054 0.000 2.499 165 I HA 0.310 4.143 4.170 -0.562 0.000 0.288 165 I C -0.854 175.329 176.117 0.110 0.000 1.048 165 I CA -0.929 60.356 61.300 -0.025 0.000 1.062 165 I CB 2.076 40.041 38.000 -0.059 0.000 1.238 165 I HN 0.274 nan 8.210 nan 0.000 0.426 166 Y N 5.349 125.657 120.300 0.012 0.000 2.326 166 Y HA 0.306 4.527 4.550 -0.549 0.000 0.331 166 Y C 0.163 176.128 175.900 0.108 0.000 0.962 166 Y CA -0.962 57.175 58.100 0.062 0.000 1.167 166 Y CB 0.932 39.441 38.460 0.081 0.000 1.148 166 Y HN 0.681 nan 8.280 nan 0.000 0.463 167 E N 4.095 124.097 120.200 -0.329 0.000 2.228 167 E HA -0.277 3.736 4.350 -0.562 0.000 0.213 167 E C 1.092 177.698 176.600 0.009 0.000 1.282 167 E CA 0.852 57.121 56.400 -0.218 0.000 0.707 167 E CB -1.371 28.128 29.700 -0.335 0.000 1.150 167 E HN 1.215 nan 8.360 nan 0.000 0.362 168 G N -0.274 108.572 108.800 0.076 0.000 2.205 168 G HA2 -0.399 3.224 3.960 -0.562 0.000 0.261 168 G HA3 -0.399 3.224 3.960 -0.562 0.000 0.261 168 G C -0.221 174.773 174.900 0.157 0.000 0.980 168 G CA 0.571 45.758 45.100 0.145 0.000 0.632 168 G HN 0.507 nan 8.290 nan 0.000 0.533 169 Y N 1.820 122.137 120.300 0.029 0.000 2.331 169 Y HA 0.676 4.885 4.550 -0.568 0.000 0.338 169 Y C 0.280 176.194 175.900 0.024 0.000 0.976 169 Y CA -1.176 56.945 58.100 0.035 0.000 1.137 169 Y CB 1.025 39.525 38.460 0.067 0.000 1.172 169 Y HN 0.617 nan 8.280 nan 0.000 0.478 170 A N 7.355 129.873 122.820 -0.504 0.000 2.409 170 A HA 0.415 4.398 4.320 -0.562 0.000 0.267 170 A C -0.716 176.332 177.584 -0.892 0.000 1.127 170 A CA -0.567 51.160 52.037 -0.516 0.000 0.795 170 A CB -0.309 18.489 19.000 -0.337 0.000 1.061 170 A HN 0.869 nan 8.150 nan 0.000 0.502 171 L N 5.198 126.067 121.223 -0.590 0.000 2.385 171 L HA 0.182 4.185 4.340 -0.562 0.000 0.285 171 L C -1.572 175.029 176.870 -0.449 0.000 1.125 171 L CA -1.442 53.094 54.840 -0.507 0.000 0.890 171 L CB 0.755 42.590 42.059 -0.374 0.000 1.251 171 L HN 0.550 nan 8.230 nan 0.000 0.445 172 P HA -0.240 nan 4.420 nan 0.000 0.216 172 P C 1.434 178.657 177.300 -0.128 0.000 1.154 172 P CA 1.461 64.468 63.100 -0.155 0.000 0.865 172 P CB -0.095 31.586 31.700 -0.031 0.000 0.789 173 H N -1.178 117.863 119.070 -0.048 0.000 2.521 173 H HA 0.157 4.375 4.556 -0.562 0.000 0.286 173 H C 1.234 176.532 175.328 -0.050 0.000 1.034 173 H CA 1.427 57.454 56.048 -0.036 0.000 1.278 173 H CB -0.631 29.118 29.762 -0.021 0.000 1.386 173 H HN 0.088 nan 8.280 nan 0.000 0.567 174 A N 1.239 123.709 122.820 -0.583 0.000 2.390 174 A HA 0.301 4.284 4.320 -0.562 0.000 0.232 174 A C 0.966 178.416 177.584 -0.223 0.000 1.233 174 A CA -0.520 51.298 52.037 -0.364 0.000 0.907 174 A CB -0.021 18.706 19.000 -0.455 0.000 0.967 174 A HN 0.217 nan 8.150 nan 0.000 0.512 175 I N 2.004 122.460 120.570 -0.190 0.000 2.556 175 I HA 0.123 3.956 4.170 -0.562 0.000 0.284 175 I C -0.121 175.970 176.117 -0.043 0.000 1.114 175 I CA 0.227 61.460 61.300 -0.110 0.000 1.418 175 I CB 0.835 38.772 38.000 -0.106 0.000 1.394 175 I HN 0.214 nan 8.210 nan 0.000 0.552 176 M N 6.872 126.462 119.600 -0.017 0.000 2.508 176 M HA 0.484 4.627 4.480 -0.562 0.000 0.327 176 M C -0.400 175.906 176.300 0.011 0.000 1.160 176 M CA -0.494 54.795 55.300 -0.017 0.000 0.980 176 M CB 1.803 34.372 32.600 -0.051 0.000 1.693 176 M HN 0.527 nan 8.290 nan 0.000 0.452 177 R N 2.287 122.751 120.500 -0.060 0.000 2.575 177 R HA 0.707 4.709 4.340 -0.562 0.000 0.293 177 R C -2.168 174.007 176.300 -0.209 0.000 0.983 177 R CA -0.715 55.253 56.100 -0.220 0.000 0.887 177 R CB 1.770 31.969 30.300 -0.168 0.000 1.184 177 R HN 0.606 nan 8.270 nan 0.000 0.445 178 L N 4.192 125.256 121.223 -0.266 0.000 2.372 178 L HA 0.390 4.393 4.340 -0.562 0.000 0.273 178 L C -0.949 175.800 176.870 -0.202 0.000 0.989 178 L CA -0.222 54.502 54.840 -0.194 0.000 0.841 178 L CB 1.843 43.797 42.059 -0.175 0.000 1.225 178 L HN 0.660 nan 8.230 nan 0.000 0.414 179 D N 6.563 126.868 120.400 -0.158 0.000 2.885 179 D HA 0.146 4.449 4.640 -0.562 0.000 0.234 179 D C -0.537 175.692 176.300 -0.119 0.000 1.129 179 D CA 0.624 54.543 54.000 -0.136 0.000 0.991 179 D CB 0.069 40.806 40.800 -0.105 0.000 1.137 179 D HN 0.402 nan 8.370 nan 0.000 0.459 180 L N 0.119 121.265 121.223 -0.129 0.000 2.505 180 L HA 0.613 4.616 4.340 -0.562 0.000 0.266 180 L C -1.407 175.401 176.870 -0.104 0.000 0.954 180 L CA -0.309 54.463 54.840 -0.114 0.000 0.852 180 L CB 1.637 43.618 42.059 -0.130 0.000 1.282 180 L HN 0.113 nan 8.230 nan 0.000 0.403 181 A N 2.810 125.586 122.820 -0.074 0.000 3.136 181 A HA 0.652 4.635 4.320 -0.562 0.000 0.299 181 A C 0.812 178.389 177.584 -0.012 0.000 1.197 181 A CA 0.120 52.129 52.037 -0.047 0.000 0.640 181 A CB 0.098 19.070 19.000 -0.047 0.000 1.440 181 A HN 0.825 nan 8.150 nan 0.000 0.614 182 G N -0.245 108.560 108.800 0.009 0.000 2.505 182 G HA2 -0.270 3.353 3.960 -0.562 0.000 0.220 182 G HA3 -0.270 3.353 3.960 -0.562 0.000 0.220 182 G C 1.479 176.393 174.900 0.024 0.000 1.145 182 G CA 1.626 46.746 45.100 0.033 0.000 0.761 182 G HN 0.791 nan 8.290 nan 0.000 0.571 183 R N 0.371 120.872 120.500 0.001 0.000 2.083 183 R HA -0.105 3.898 4.340 -0.562 0.000 0.237 183 R C 2.143 178.443 176.300 -0.001 0.000 1.137 183 R CA 1.901 57.997 56.100 -0.006 0.000 0.951 183 R CB -0.296 29.983 30.300 -0.035 0.000 0.851 183 R HN 0.330 nan 8.270 nan 0.000 0.434 184 D N 0.402 120.796 120.400 -0.010 0.000 2.178 184 D HA -0.150 4.153 4.640 -0.562 0.000 0.202 184 D C 2.001 178.328 176.300 0.045 0.000 0.974 184 D CA 1.010 55.009 54.000 -0.003 0.000 0.841 184 D CB -0.020 40.756 40.800 -0.040 0.000 0.953 184 D HN 0.333 nan 8.370 nan 0.000 0.478 185 L N 0.763 122.016 121.223 0.051 0.000 2.093 185 L HA -0.111 3.892 4.340 -0.562 0.000 0.208 185 L C 2.562 179.499 176.870 0.111 0.000 1.085 185 L CA 0.969 55.871 54.840 0.104 0.000 0.755 185 L CB -0.690 41.431 42.059 0.104 0.000 0.904 185 L HN -0.004 nan 8.230 nan 0.000 0.435 186 T N -0.756 113.838 114.554 0.066 0.000 2.737 186 T HA -0.158 3.855 4.350 -0.562 0.000 0.265 186 T C 1.442 176.155 174.700 0.022 0.000 1.038 186 T CA 1.453 63.569 62.100 0.027 0.000 1.144 186 T CB -0.188 68.688 68.868 0.013 0.000 0.866 186 T HN 0.296 nan 8.240 nan 0.000 0.434 187 D N 0.054 120.482 120.400 0.046 0.000 2.144 187 D HA -0.073 4.230 4.640 -0.562 0.000 0.199 187 D C 1.671 178.025 176.300 0.090 0.000 0.984 187 D CA 0.863 54.895 54.000 0.052 0.000 0.834 187 D CB -0.362 40.466 40.800 0.047 0.000 0.955 187 D HN 0.396 nan 8.370 nan 0.000 0.465 188 Y N 1.101 121.389 120.300 -0.020 0.000 2.200 188 Y HA -0.109 4.103 4.550 -0.562 0.000 0.290 188 Y C 2.061 177.943 175.900 -0.029 0.000 1.137 188 Y CA 0.730 58.819 58.100 -0.017 0.000 1.163 188 Y CB -0.456 38.001 38.460 -0.006 0.000 0.988 188 Y HN -0.081 nan 8.280 nan 0.000 0.518 189 L N 0.099 121.258 121.223 -0.107 0.000 2.083 189 L HA -0.215 3.788 4.340 -0.562 0.000 0.209 189 L C 2.199 178.941 176.870 -0.212 0.000 1.083 189 L CA 1.847 56.553 54.840 -0.223 0.000 0.752 189 L CB -0.742 41.226 42.059 -0.151 0.000 0.899 189 L HN 0.303 nan 8.230 nan 0.000 0.433 190 M N -0.871 118.650 119.600 -0.133 0.000 2.108 190 M HA -0.244 3.899 4.480 -0.562 0.000 0.261 190 M C 2.251 178.536 176.300 -0.024 0.000 1.066 190 M CA 1.979 57.236 55.300 -0.071 0.000 1.107 190 M CB -0.365 32.235 32.600 -0.001 0.000 1.356 190 M HN 0.150 nan 8.290 nan 0.000 0.406 191 K N 1.616 121.977 120.400 -0.065 0.000 2.001 191 K HA -0.109 3.874 4.320 -0.562 0.000 0.208 191 K C 1.586 178.115 176.600 -0.118 0.000 1.048 191 K CA 1.507 57.758 56.287 -0.061 0.000 0.932 191 K CB -0.689 31.790 32.500 -0.036 0.000 0.715 191 K HN 0.546 nan 8.250 nan 0.000 0.437 192 I N -1.709 118.700 120.570 -0.268 0.000 2.830 192 I HA -0.071 3.762 4.170 -0.562 0.000 0.263 192 I C 1.509 177.546 176.117 -0.134 0.000 1.230 192 I CA 0.996 62.139 61.300 -0.263 0.000 1.480 192 I CB -0.250 37.477 38.000 -0.455 0.000 1.095 192 I HN -0.003 nan 8.210 nan 0.000 0.455 193 L N 1.777 122.961 121.223 -0.065 0.000 2.465 193 L HA -0.090 3.913 4.340 -0.562 0.000 0.224 193 L C 2.753 179.718 176.870 0.157 0.000 1.145 193 L CA 1.485 56.383 54.840 0.095 0.000 0.834 193 L CB -0.657 41.479 42.059 0.128 0.000 0.944 193 L HN 0.521 nan 8.230 nan 0.000 0.451 194 T N -4.074 110.521 114.554 0.068 0.000 2.951 194 T HA -0.137 3.876 4.350 -0.562 0.000 0.268 194 T C 1.510 176.178 174.700 -0.053 0.000 1.073 194 T CA 0.725 62.845 62.100 0.033 0.000 1.134 194 T CB -0.121 68.758 68.868 0.017 0.000 0.884 194 T HN 0.332 nan 8.240 nan 0.000 0.479 195 E N 1.129 121.286 120.200 -0.071 0.000 2.130 195 E HA -0.104 3.909 4.350 -0.562 0.000 0.196 195 E C 2.278 178.788 176.600 -0.149 0.000 0.998 195 E CA 0.931 57.272 56.400 -0.098 0.000 0.806 195 E CB -0.120 29.521 29.700 -0.098 0.000 0.738 195 E HN 0.468 nan 8.360 nan 0.000 0.459 196 R N -0.710 119.659 120.500 -0.218 0.000 2.320 196 R HA 0.052 4.055 4.340 -0.562 0.000 0.211 196 R C 0.990 176.917 176.300 -0.622 0.000 0.931 196 R CA 0.548 56.399 56.100 -0.416 0.000 1.071 196 R CB 0.579 30.569 30.300 -0.518 0.000 1.025 196 R HN 0.318 nan 8.270 nan 0.000 0.495 197 G N 0.215 108.795 108.800 -0.368 0.000 2.195 197 G HA2 -0.288 3.335 3.960 -0.562 0.000 0.246 197 G HA3 -0.288 3.335 3.960 -0.562 0.000 0.246 197 G C -0.170 174.627 174.900 -0.172 0.000 0.984 197 G CA -0.161 44.779 45.100 -0.266 0.000 0.633 197 G HN 0.245 nan 8.290 nan 0.000 0.525 198 Y N 1.815 122.131 120.300 0.026 0.000 2.346 198 Y HA 0.510 4.723 4.550 -0.562 0.000 0.330 198 Y C 1.001 176.884 175.900 -0.028 0.000 1.178 198 Y CA -0.953 57.149 58.100 0.004 0.000 1.331 198 Y CB 1.356 39.943 38.460 0.211 0.000 1.253 198 Y HN 0.444 nan 8.280 nan 0.000 0.529 199 S N 2.525 118.183 115.700 -0.070 0.000 2.718 199 S HA 0.649 4.782 4.470 -0.562 0.000 0.294 199 S C -1.317 173.123 174.600 -0.267 0.000 1.157 199 S CA -0.785 57.367 58.200 -0.079 0.000 1.121 199 S CB -0.527 62.634 63.200 -0.065 0.000 1.015 199 S HN 0.352 nan 8.310 nan 0.000 0.479 200 F N 2.826 122.800 119.950 0.040 0.000 2.375 200 F HA 0.507 4.697 4.527 -0.561 0.000 0.361 200 F C 1.032 176.841 175.800 0.015 0.000 1.117 200 F CA -0.863 57.151 58.000 0.023 0.000 1.037 200 F CB 1.953 40.961 39.000 0.012 0.000 1.192 200 F HN 0.555 nan 8.300 nan 0.000 0.452 201 V N -1.407 118.582 119.914 0.125 0.000 3.305 201 V HA 0.161 3.944 4.120 -0.562 0.000 0.247 201 V C 0.781 176.916 176.094 0.068 0.000 1.426 201 V CA 0.532 62.882 62.300 0.084 0.000 1.162 201 V CB 0.140 31.989 31.823 0.043 0.000 0.961 201 V HN 0.571 nan 8.190 nan 0.000 0.449 202 T N -1.304 113.286 114.554 0.060 0.000 2.766 202 T HA 0.220 4.233 4.350 -0.562 0.000 0.295 202 T C 1.177 175.914 174.700 0.062 0.000 1.024 202 T CA 0.877 63.007 62.100 0.049 0.000 1.018 202 T CB 0.851 69.740 68.868 0.035 0.000 1.002 202 T HN 0.304 nan 8.240 nan 0.000 0.532 203 T N 1.201 115.784 114.554 0.049 0.000 2.746 203 T HA -0.047 3.966 4.350 -0.562 0.000 0.267 203 T C 2.380 177.116 174.700 0.059 0.000 1.039 203 T CA 1.450 63.580 62.100 0.051 0.000 1.142 203 T CB -0.879 68.013 68.868 0.040 0.000 0.866 203 T HN 0.793 nan 8.240 nan 0.000 0.444 204 A N 1.322 124.176 122.820 0.057 0.000 1.902 204 A HA -0.117 3.866 4.320 -0.562 0.000 0.217 204 A C 2.184 179.826 177.584 0.097 0.000 1.181 204 A CA 1.694 53.770 52.037 0.064 0.000 0.623 204 A CB -0.540 18.491 19.000 0.051 0.000 0.818 204 A HN 0.534 nan 8.150 nan 0.000 0.443 205 E N -0.895 119.377 120.200 0.119 0.000 2.106 205 E HA -0.167 3.846 4.350 -0.562 0.000 0.192 205 E C 2.238 178.966 176.600 0.213 0.000 0.984 205 E CA 1.063 57.595 56.400 0.220 0.000 0.806 205 E CB -0.113 29.716 29.700 0.215 0.000 0.750 205 E HN 0.597 nan 8.360 nan 0.000 0.458 206 R N 0.787 121.363 120.500 0.126 0.000 2.120 206 R HA -0.154 3.849 4.340 -0.562 0.000 0.234 206 R C 1.702 178.025 176.300 0.039 0.000 1.123 206 R CA 1.161 57.302 56.100 0.069 0.000 0.975 206 R CB 0.135 30.469 30.300 0.056 0.000 0.866 206 R HN 0.083 nan 8.270 nan 0.000 0.446 207 E N 0.626 120.861 120.200 0.059 0.000 2.106 207 E HA -0.185 3.828 4.350 -0.562 0.000 0.192 207 E C 2.046 178.671 176.600 0.043 0.000 0.984 207 E CA 1.174 57.603 56.400 0.049 0.000 0.806 207 E CB -0.157 29.579 29.700 0.060 0.000 0.750 207 E HN 0.482 nan 8.360 nan 0.000 0.458 208 I N 0.752 121.367 120.570 0.074 0.000 2.226 208 I HA -0.227 3.605 4.170 -0.562 0.000 0.245 208 I C 2.437 178.492 176.117 -0.104 0.000 1.100 208 I CA 0.743 62.092 61.300 0.081 0.000 1.374 208 I CB -0.337 37.798 38.000 0.225 0.000 1.057 208 I HN -0.081 nan 8.210 nan 0.000 0.413 209 V N 0.886 120.684 119.914 -0.194 0.000 2.407 209 V HA -0.284 3.498 4.120 -0.562 0.000 0.248 209 V C 2.626 178.593 176.094 -0.212 0.000 1.055 209 V CA 1.932 64.021 62.300 -0.352 0.000 1.049 209 V CB -0.846 30.770 31.823 -0.344 0.000 0.662 209 V HN 0.422 nan 8.190 nan 0.000 0.455 210 R N 0.178 120.615 120.500 -0.105 0.000 2.096 210 R HA -0.225 3.778 4.340 -0.562 0.000 0.235 210 R C 2.086 178.347 176.300 -0.064 0.000 1.127 210 R CA 2.150 58.215 56.100 -0.059 0.000 0.968 210 R CB -0.357 29.932 30.300 -0.018 0.000 0.861 210 R HN 0.612 nan 8.270 nan 0.000 0.440 211 D N -0.066 120.297 120.400 -0.061 0.000 2.117 211 D HA -0.111 4.192 4.640 -0.562 0.000 0.198 211 D C 1.841 178.068 176.300 -0.122 0.000 0.982 211 D CA 1.202 55.185 54.000 -0.029 0.000 0.828 211 D CB 0.060 40.904 40.800 0.074 0.000 0.967 211 D HN 0.286 nan 8.370 nan 0.000 0.464 212 I N 0.259 120.629 120.570 -0.334 0.000 2.179 212 I HA -0.241 3.592 4.170 -0.562 0.000 0.242 212 I C 2.503 178.494 176.117 -0.209 0.000 1.088 212 I CA 1.023 62.019 61.300 -0.506 0.000 1.357 212 I CB -0.330 37.249 38.000 -0.701 0.000 1.051 212 I HN 0.052 nan 8.210 nan 0.000 0.409 213 K N 1.341 121.658 120.400 -0.138 0.000 2.044 213 K HA -0.239 3.744 4.320 -0.562 0.000 0.210 213 K C 1.852 178.489 176.600 0.061 0.000 1.049 213 K CA 1.930 58.219 56.287 0.004 0.000 0.927 213 K CB -0.080 32.438 32.500 0.031 0.000 0.713 213 K HN 0.375 nan 8.250 nan 0.000 0.443 214 E N -0.330 119.862 120.200 -0.013 0.000 2.347 214 E HA -0.103 3.910 4.350 -0.562 0.000 0.196 214 E C 1.679 178.275 176.600 -0.006 0.000 1.008 214 E CA 0.578 56.950 56.400 -0.046 0.000 0.852 214 E CB 0.284 29.946 29.700 -0.063 0.000 0.783 214 E HN 0.204 nan 8.360 nan 0.000 0.505 215 K N -0.070 120.343 120.400 0.021 0.000 2.287 215 K HA 0.157 4.140 4.320 -0.562 0.000 0.199 215 K C 1.843 178.497 176.600 0.089 0.000 1.061 215 K CA 0.435 56.757 56.287 0.059 0.000 0.976 215 K CB 0.503 33.061 32.500 0.097 0.000 0.898 215 K HN 0.135 nan 8.250 nan 0.000 0.492 216 L N 0.093 121.365 121.223 0.082 0.000 2.672 216 L HA 0.204 4.207 4.340 -0.562 0.000 0.236 216 L C 0.590 177.593 176.870 0.220 0.000 1.092 216 L CA -0.263 54.655 54.840 0.130 0.000 0.887 216 L CB 0.468 42.570 42.059 0.072 0.000 1.168 216 L HN -0.084 nan 8.230 nan 0.000 0.502 217 C N 0.712 120.143 119.300 0.218 0.000 2.595 217 C HA 0.413 4.536 4.460 -0.562 0.000 0.384 217 C C -0.005 175.241 174.990 0.427 0.000 1.289 217 C CA -0.397 58.770 59.018 0.247 0.000 2.372 217 C CB -0.216 27.650 27.740 0.211 0.000 2.593 217 C HN 0.406 nan 8.230 nan 0.000 0.639 218 Y N -1.507 118.916 120.300 0.204 0.000 2.656 218 Y HA 0.664 4.876 4.550 -0.562 0.000 0.334 218 Y C -1.277 174.705 175.900 0.137 0.000 1.179 218 Y CA -1.342 56.881 58.100 0.205 0.000 1.050 218 Y CB 0.355 38.916 38.460 0.168 0.000 1.308 218 Y HN 0.283 nan 8.280 nan 0.000 0.456 219 V N 2.924 122.977 119.914 0.232 0.000 2.383 219 V HA 0.714 4.497 4.120 -0.562 0.000 0.275 219 V C 0.493 176.671 176.094 0.141 0.000 1.036 219 V CA -0.256 62.097 62.300 0.088 0.000 0.889 219 V CB 0.705 32.603 31.823 0.125 0.000 0.985 219 V HN 1.032 nan 8.190 nan 0.000 0.459 220 A N 4.232 127.055 122.820 0.004 0.000 2.425 220 A HA 0.410 4.393 4.320 -0.562 0.000 0.249 220 A C 0.908 178.437 177.584 -0.091 0.000 1.084 220 A CA -0.259 51.757 52.037 -0.034 0.000 0.781 220 A CB 0.333 19.185 19.000 -0.247 0.000 1.019 220 A HN 0.854 nan 8.150 nan 0.000 0.490 221 L N 0.880 122.056 121.223 -0.078 0.000 2.056 221 L HA 0.053 4.056 4.340 -0.562 0.000 0.207 221 L C -0.097 176.688 176.870 -0.141 0.000 1.078 221 L CA 1.817 56.591 54.840 -0.109 0.000 0.749 221 L CB -0.155 41.859 42.059 -0.073 0.000 0.901 221 L HN 0.668 nan 8.230 nan 0.000 0.433 222 D N -1.258 119.069 120.400 -0.121 0.000 2.421 222 D HA 0.065 4.368 4.640 -0.562 0.000 0.254 222 D C 0.510 176.763 176.300 -0.079 0.000 1.238 222 D CA -0.339 53.604 54.000 -0.096 0.000 0.919 222 D CB 1.162 41.909 40.800 -0.088 0.000 1.152 222 D HN -0.032 nan 8.370 nan 0.000 0.552 223 F N 2.690 122.538 119.950 -0.170 0.000 2.063 223 F HA -0.248 3.942 4.527 -0.562 0.000 0.298 223 F C 1.957 177.735 175.800 -0.036 0.000 1.109 223 F CA 1.934 59.875 58.000 -0.098 0.000 1.212 223 F CB 0.208 39.197 39.000 -0.018 0.000 0.973 223 F HN 0.302 nan 8.300 nan 0.000 0.480 224 E N -0.317 119.829 120.200 -0.090 0.000 2.085 224 E HA -0.255 3.758 4.350 -0.562 0.000 0.194 224 E C 1.816 178.307 176.600 -0.181 0.000 0.994 224 E CA 1.622 57.930 56.400 -0.153 0.000 0.801 224 E CB -0.358 29.335 29.700 -0.012 0.000 0.743 224 E HN 0.450 nan 8.360 nan 0.000 0.453 225 N N 0.495 119.106 118.700 -0.148 0.000 2.244 225 N HA -0.141 4.262 4.740 -0.562 0.000 0.183 225 N C 1.599 176.995 175.510 -0.191 0.000 1.016 225 N CA 0.861 53.830 53.050 -0.135 0.000 0.866 225 N CB -0.016 38.409 38.487 -0.104 0.000 0.980 225 N HN 0.078 nan 8.380 nan 0.000 0.430 226 E N 0.014 120.022 120.200 -0.319 0.000 2.107 226 E HA 0.007 4.020 4.350 -0.562 0.000 0.191 226 E C 1.641 178.048 176.600 -0.321 0.000 0.982 226 E CA 0.868 56.968 56.400 -0.498 0.000 0.809 226 E CB -0.009 29.067 29.700 -1.040 0.000 0.756 226 E HN 0.141 nan 8.360 nan 0.000 0.459 227 M N -0.088 119.356 119.600 -0.260 0.000 2.117 227 M HA -0.069 4.074 4.480 -0.562 0.000 0.262 227 M C 2.263 178.547 176.300 -0.027 0.000 1.065 227 M CA 1.611 56.887 55.300 -0.041 0.000 1.114 227 M CB -1.164 31.294 32.600 -0.236 0.000 1.361 227 M HN 0.242 nan 8.290 nan 0.000 0.408 228 A N -0.442 122.332 122.820 -0.077 0.000 1.930 228 A HA -0.118 3.865 4.320 -0.562 0.000 0.217 228 A C 2.276 179.845 177.584 -0.024 0.000 1.175 228 A CA 2.098 54.107 52.037 -0.046 0.000 0.627 228 A CB -1.001 17.967 19.000 -0.055 0.000 0.815 228 A HN 0.492 nan 8.150 nan 0.000 0.443 229 T N 0.179 114.712 114.554 -0.035 0.000 2.821 229 T HA 0.058 4.071 4.350 -0.562 0.000 0.267 229 T C 2.153 176.873 174.700 0.032 0.000 1.046 229 T CA 1.313 63.405 62.100 -0.013 0.000 1.139 229 T CB -0.320 68.525 68.868 -0.038 0.000 0.871 229 T HN 0.562 nan 8.240 nan 0.000 0.454 230 A N 1.092 123.959 122.820 0.079 0.000 2.014 230 A HA 0.350 4.333 4.320 -0.562 0.000 0.218 230 A C 2.459 180.084 177.584 0.068 0.000 1.163 230 A CA 1.412 53.526 52.037 0.127 0.000 0.652 230 A CB -0.658 18.493 19.000 0.252 0.000 0.808 230 A HN 0.489 nan 8.150 nan 0.000 0.449 231 A N -0.158 122.687 122.820 0.041 0.000 2.081 231 A HA 0.137 4.120 4.320 -0.562 0.000 0.214 231 A C 2.118 179.709 177.584 0.012 0.000 1.158 231 A CA 1.492 53.540 52.037 0.018 0.000 0.724 231 A CB -0.394 18.608 19.000 0.004 0.000 0.826 231 A HN 0.891 nan 8.150 nan 0.000 0.463 232 S N -1.958 113.749 115.700 0.012 0.000 2.540 232 S HA 0.438 4.571 4.470 -0.562 0.000 0.218 232 S C 0.365 174.972 174.600 0.011 0.000 0.977 232 S CA 0.478 58.682 58.200 0.007 0.000 0.918 232 S CB -0.143 63.056 63.200 -0.001 0.000 0.806 232 S HN 0.536 nan 8.310 nan 0.000 0.496 233 S N 0.309 116.021 115.700 0.020 0.000 2.655 233 S HA 0.520 4.653 4.470 -0.562 0.000 0.266 233 S C -0.287 174.335 174.600 0.037 0.000 1.149 233 S CA 0.093 58.307 58.200 0.024 0.000 0.818 233 S CB 0.839 64.051 63.200 0.020 0.000 1.130 233 S HN 0.548 nan 8.310 nan 0.000 0.476 234 S N 0.564 116.287 115.700 0.037 0.000 2.663 234 S HA 0.173 4.306 4.470 -0.562 0.000 0.243 234 S C 1.345 175.977 174.600 0.054 0.000 1.009 234 S CA 0.611 58.840 58.200 0.048 0.000 0.988 234 S CB -0.151 63.074 63.200 0.041 0.000 0.896 234 S HN 1.013 nan 8.310 nan 0.000 0.502 235 S N 1.927 117.655 115.700 0.047 0.000 2.442 235 S HA 0.056 4.189 4.470 -0.562 0.000 0.236 235 S C 1.406 176.042 174.600 0.061 0.000 1.007 235 S CA 0.665 58.890 58.200 0.041 0.000 0.965 235 S CB -0.748 62.468 63.200 0.025 0.000 0.773 235 S HN 0.609 nan 8.310 nan 0.000 0.504 236 L N 0.461 121.744 121.223 0.100 0.000 2.585 236 L HA 0.315 4.318 4.340 -0.562 0.000 0.226 236 L C 0.653 177.623 176.870 0.167 0.000 1.113 236 L CA -0.012 54.924 54.840 0.161 0.000 0.876 236 L CB -0.174 42.047 42.059 0.271 0.000 1.072 236 L HN 0.256 nan 8.230 nan 0.000 0.468 237 E N 1.572 121.844 120.200 0.119 0.000 2.373 237 E HA 0.209 4.222 4.350 -0.562 0.000 0.267 237 E C -0.330 176.330 176.600 0.100 0.000 1.032 237 E CA 0.154 56.618 56.400 0.108 0.000 0.889 237 E CB 0.868 30.620 29.700 0.086 0.000 0.984 237 E HN -0.063 nan 8.360 nan 0.000 0.425 238 K N 1.183 121.647 120.400 0.105 0.000 2.469 238 K HA 0.395 4.378 4.320 -0.562 0.000 0.254 238 K C -0.939 175.724 176.600 0.106 0.000 0.939 238 K CA -0.679 55.669 56.287 0.102 0.000 0.812 238 K CB 2.306 34.876 32.500 0.116 0.000 1.301 238 K HN 0.335 nan 8.250 nan 0.000 0.433 239 S N 1.010 116.770 115.700 0.101 0.000 2.617 239 S HA 0.536 4.668 4.470 -0.562 0.000 0.283 239 S C -1.187 173.508 174.600 0.157 0.000 1.189 239 S CA -0.566 57.697 58.200 0.105 0.000 1.036 239 S CB 0.747 63.986 63.200 0.065 0.000 1.014 239 S HN 0.518 nan 8.310 nan 0.000 0.522 240 Y N 1.133 121.428 120.300 -0.009 0.000 2.401 240 Y HA 0.337 4.550 4.550 -0.562 0.000 0.330 240 Y C -0.661 175.228 175.900 -0.019 0.000 1.071 240 Y CA -0.562 57.530 58.100 -0.014 0.000 1.049 240 Y CB 1.120 39.563 38.460 -0.027 0.000 1.239 240 Y HN 0.704 nan 8.280 nan 0.000 0.437 241 E N 6.482 126.387 120.200 -0.493 0.000 2.229 241 E HA 0.379 4.392 4.350 -0.562 0.000 0.283 241 E C -1.047 175.317 176.600 -0.393 0.000 1.030 241 E CA -0.388 55.813 56.400 -0.332 0.000 0.836 241 E CB 0.727 30.278 29.700 -0.249 0.000 1.068 241 E HN 0.745 nan 8.360 nan 0.000 0.401 242 L N 5.501 126.660 121.223 -0.107 0.000 2.439 242 L HA 0.237 4.240 4.340 -0.562 0.000 0.259 242 L C -1.546 175.313 176.870 -0.019 0.000 1.129 242 L CA -1.894 52.958 54.840 0.019 0.000 0.803 242 L CB 0.385 42.493 42.059 0.082 0.000 1.161 242 L HN 0.518 nan 8.230 nan 0.000 0.462 243 P HA -0.185 nan 4.420 nan 0.000 0.217 243 P C 0.480 177.778 177.300 -0.004 0.000 1.148 243 P CA 1.169 64.275 63.100 0.010 0.000 0.828 243 P CB -0.007 31.716 31.700 0.038 0.000 0.783 244 D N -2.254 118.144 120.400 -0.003 0.000 2.336 244 D HA 0.091 4.394 4.640 -0.562 0.000 0.229 244 D C 1.431 177.721 176.300 -0.016 0.000 1.061 244 D CA 0.608 54.602 54.000 -0.010 0.000 0.875 244 D CB -0.920 39.872 40.800 -0.013 0.000 0.904 244 D HN 0.239 nan 8.370 nan 0.000 0.525 245 G N -0.436 108.349 108.800 -0.024 0.000 2.217 245 G HA2 -0.304 3.318 3.960 -0.562 0.000 0.246 245 G HA3 -0.304 3.318 3.960 -0.562 0.000 0.246 245 G C 0.208 175.093 174.900 -0.026 0.000 0.990 245 G CA 0.094 45.177 45.100 -0.028 0.000 0.627 245 G HN 0.477 nan 8.290 nan 0.000 0.522 246 Q N -0.253 119.535 119.800 -0.020 0.000 2.368 246 Q HA 0.567 4.570 4.340 -0.562 0.000 0.237 246 Q C -0.265 175.724 176.000 -0.019 0.000 0.987 246 Q CA -0.057 55.738 55.803 -0.013 0.000 0.896 246 Q CB 2.050 30.782 28.738 -0.010 0.000 1.241 246 Q HN 0.229 nan 8.270 nan 0.000 0.485 247 V N 2.969 122.879 119.914 -0.007 0.000 2.531 247 V HA 0.456 4.239 4.120 -0.562 0.000 0.301 247 V C -0.168 175.929 176.094 0.004 0.000 1.034 247 V CA -0.648 61.649 62.300 -0.006 0.000 0.865 247 V CB 1.402 33.225 31.823 -0.000 0.000 0.995 247 V HN 0.624 nan 8.190 nan 0.000 0.424 248 I N 1.342 121.898 120.570 -0.024 0.000 2.863 248 I HA 0.841 4.674 4.170 -0.562 0.000 0.311 248 I C -0.232 175.902 176.117 0.029 0.000 1.026 248 I CA -0.346 60.882 61.300 -0.121 0.000 1.077 248 I CB 2.466 40.108 38.000 -0.596 0.000 1.262 248 I HN 0.444 nan 8.210 nan 0.000 0.461 249 T N 5.048 119.686 114.554 0.140 0.000 2.841 249 T HA 0.583 4.596 4.350 -0.562 0.000 0.283 249 T C -0.618 174.197 174.700 0.192 0.000 1.000 249 T CA -0.365 61.830 62.100 0.158 0.000 0.977 249 T CB 1.646 70.607 68.868 0.156 0.000 0.979 249 T HN 0.596 nan 8.240 nan 0.000 0.446 250 I N 1.902 122.545 120.570 0.123 0.000 2.509 250 I HA 0.714 4.547 4.170 -0.562 0.000 0.293 250 I C 0.379 176.539 176.117 0.072 0.000 1.020 250 I CA -0.315 61.039 61.300 0.091 0.000 1.088 250 I CB 1.470 39.488 38.000 0.030 0.000 1.267 250 I HN 0.756 nan 8.210 nan 0.000 0.430 251 G N 4.164 112.983 108.800 0.032 0.000 2.887 251 G HA2 0.008 3.631 3.960 -0.562 0.000 0.210 251 G HA3 0.008 3.631 3.960 -0.562 0.000 0.210 251 G C 0.579 175.439 174.900 -0.067 0.000 1.964 251 G CA 0.375 45.495 45.100 0.034 0.000 0.738 251 G HN 0.669 nan 8.290 nan 0.000 0.790 252 N N 1.120 119.696 118.700 -0.208 0.000 2.520 252 N HA -0.002 4.401 4.740 -0.562 0.000 0.185 252 N C 1.388 176.367 175.510 -0.886 0.000 1.068 252 N CA 1.396 53.979 53.050 -0.777 0.000 0.911 252 N CB -0.169 37.989 38.487 -0.549 0.000 0.961 252 N HN 0.464 nan 8.380 nan 0.000 0.446 253 E N 0.508 120.462 120.200 -0.409 0.000 2.204 253 E HA -0.029 3.984 4.350 -0.562 0.000 0.194 253 E C 1.771 178.195 176.600 -0.293 0.000 0.989 253 E CA 0.684 56.898 56.400 -0.309 0.000 0.824 253 E CB -0.072 29.517 29.700 -0.186 0.000 0.756 253 E HN 0.436 nan 8.360 nan 0.000 0.477 254 R N -0.133 120.209 120.500 -0.262 0.000 2.105 254 R HA -0.143 3.860 4.340 -0.562 0.000 0.239 254 R C 1.858 177.997 176.300 -0.269 0.000 1.135 254 R CA 1.783 57.804 56.100 -0.132 0.000 0.967 254 R CB -0.334 30.033 30.300 0.112 0.000 0.861 254 R HN 0.390 nan 8.270 nan 0.000 0.442 255 F N -1.669 118.067 119.950 -0.357 0.000 2.717 255 F HA 0.362 4.551 4.527 -0.562 0.000 0.297 255 F C 1.804 177.583 175.800 -0.035 0.000 1.113 255 F CA -0.534 57.219 58.000 -0.411 0.000 1.319 255 F CB -0.152 38.481 39.000 -0.612 0.000 1.097 255 F HN -0.325 nan 8.300 nan 0.000 0.595 256 R N 0.230 120.633 120.500 -0.163 0.000 2.092 256 R HA -0.115 3.888 4.340 -0.562 0.000 0.231 256 R C 2.357 178.810 176.300 0.256 0.000 1.119 256 R CA 1.374 57.605 56.100 0.217 0.000 0.970 256 R CB -0.983 29.369 30.300 0.087 0.000 0.864 256 R HN 0.569 nan 8.270 nan 0.000 0.440 257 C N 1.609 120.955 119.300 0.077 0.000 2.418 257 C HA -0.027 4.096 4.460 -0.562 0.000 0.280 257 C C -0.488 174.511 174.990 0.015 0.000 1.223 257 C CA 0.870 59.972 59.018 0.139 0.000 1.736 257 C CB -0.956 26.779 27.740 -0.008 0.000 2.056 257 C HN 0.310 nan 8.230 nan 0.000 0.459 258 P HA -0.040 nan 4.420 nan 0.000 0.233 258 P C 1.051 178.236 177.300 -0.191 0.000 1.167 258 P CA 1.400 64.263 63.100 -0.395 0.000 0.770 258 P CB -0.285 30.862 31.700 -0.921 0.000 0.837 259 E N 0.680 120.795 120.200 -0.142 0.000 2.265 259 E HA -0.124 3.888 4.350 -0.562 0.000 0.196 259 E C 1.619 177.926 176.600 -0.489 0.000 0.996 259 E CA 1.470 57.704 56.400 -0.278 0.000 0.832 259 E CB -1.280 28.102 29.700 -0.528 0.000 0.756 259 E HN 0.098 nan 8.360 nan 0.000 0.491 260 T N 0.758 115.056 114.554 -0.427 0.000 2.803 260 T HA -0.150 3.863 4.350 -0.562 0.000 0.269 260 T C 1.686 176.169 174.700 -0.361 0.000 1.052 260 T CA 1.256 63.075 62.100 -0.470 0.000 1.136 260 T CB -0.217 68.445 68.868 -0.343 0.000 0.864 260 T HN 0.189 nan 8.240 nan 0.000 0.467 261 L N -0.576 120.464 121.223 -0.305 0.000 2.083 261 L HA -0.033 3.970 4.340 -0.562 0.000 0.209 261 L C 2.024 178.598 176.870 -0.492 0.000 1.083 261 L CA 1.395 56.003 54.840 -0.387 0.000 0.752 261 L CB -0.477 41.305 42.059 -0.462 0.000 0.899 261 L HN 0.267 nan 8.230 nan 0.000 0.433 262 F N -1.033 118.767 119.950 -0.251 0.000 2.619 262 F HA 0.066 4.256 4.527 -0.562 0.000 0.293 262 F C 1.082 176.752 175.800 -0.216 0.000 1.119 262 F CA 0.260 58.145 58.000 -0.191 0.000 1.445 262 F CB 0.228 39.012 39.000 -0.360 0.000 1.119 262 F HN 0.003 nan 8.300 nan 0.000 0.573 263 Q N 0.277 119.893 119.800 -0.307 0.000 3.064 263 Q HA 0.194 4.197 4.340 -0.562 0.000 0.258 263 Q C -2.148 173.623 176.000 -0.381 0.000 0.972 263 Q CA -1.555 54.008 55.803 -0.400 0.000 0.761 263 Q CB 1.277 29.551 28.738 -0.774 0.000 1.281 263 Q HN 0.017 nan 8.270 nan 0.000 0.455 264 P HA -0.217 nan 4.420 nan 0.000 0.221 264 P C 1.333 178.580 177.300 -0.089 0.000 1.145 264 P CA 1.356 64.358 63.100 -0.164 0.000 0.795 264 P CB 0.231 31.854 31.700 -0.129 0.000 0.775 265 S N -2.148 113.539 115.700 -0.022 0.000 2.469 265 S HA -0.160 3.973 4.470 -0.562 0.000 0.238 265 S C 1.680 176.359 174.600 0.131 0.000 0.998 265 S CA 0.734 58.965 58.200 0.052 0.000 0.957 265 S CB -1.529 61.721 63.200 0.082 0.000 0.764 265 S HN -0.043 nan 8.310 nan 0.000 0.514 266 F N 2.724 122.558 119.950 -0.193 0.000 2.202 266 F HA 0.091 4.281 4.527 -0.561 0.000 0.301 266 F C 1.862 177.453 175.800 -0.348 0.000 1.082 266 F CA 0.317 58.158 58.000 -0.264 0.000 1.313 266 F CB -0.475 38.278 39.000 -0.412 0.000 1.024 266 F HN 0.400 nan 8.300 nan 0.000 0.495 267 I N -3.492 116.977 120.570 -0.169 0.000 3.877 267 I HA 0.530 4.363 4.170 -0.562 0.000 0.332 267 I C 1.161 177.233 176.117 -0.074 0.000 1.525 267 I CA 0.405 61.597 61.300 -0.179 0.000 1.146 267 I CB -0.176 37.677 38.000 -0.246 0.000 1.137 267 I HN 0.135 nan 8.210 nan 0.000 0.424 268 G N 1.873 110.649 108.800 -0.041 0.000 2.160 268 G HA2 -0.254 3.369 3.960 -0.562 0.000 0.244 268 G HA3 -0.254 3.369 3.960 -0.562 0.000 0.244 268 G C -0.078 174.802 174.900 -0.034 0.000 1.022 268 G CA 0.150 45.235 45.100 -0.026 0.000 0.741 268 G HN 0.476 nan 8.290 nan 0.000 0.508 269 M N -0.579 118.993 119.600 -0.047 0.000 2.300 269 M HA 0.452 4.595 4.480 -0.562 0.000 0.348 269 M C 0.897 177.171 176.300 -0.043 0.000 1.151 269 M CA -0.656 54.613 55.300 -0.053 0.000 1.046 269 M CB 1.433 33.988 32.600 -0.076 0.000 1.647 269 M HN 0.019 nan 8.290 nan 0.000 0.451 270 E N 0.595 120.772 120.200 -0.038 0.000 2.502 270 E HA 0.071 4.083 4.350 -0.562 0.000 0.194 270 E C -0.125 176.451 176.600 -0.040 0.000 1.062 270 E CA 0.181 56.563 56.400 -0.031 0.000 0.867 270 E CB 0.169 29.854 29.700 -0.024 0.000 0.888 270 E HN 0.491 nan 8.360 nan 0.000 0.510 271 S N 0.772 116.439 115.700 -0.055 0.000 2.584 271 S HA 0.401 4.534 4.470 -0.562 0.000 0.270 271 S C 0.359 174.916 174.600 -0.071 0.000 1.346 271 S CA -0.326 57.834 58.200 -0.066 0.000 1.018 271 S CB 0.959 64.109 63.200 -0.083 0.000 0.899 271 S HN 0.327 nan 8.310 nan 0.000 0.542 272 A N 1.535 124.309 122.820 -0.078 0.000 2.351 272 A HA 0.612 4.595 4.320 -0.562 0.000 0.257 272 A C 0.887 178.403 177.584 -0.114 0.000 1.087 272 A CA -0.169 51.812 52.037 -0.093 0.000 0.798 272 A CB -0.300 18.639 19.000 -0.103 0.000 1.033 272 A HN 0.902 nan 8.150 nan 0.000 0.488 273 G N -0.317 108.419 108.800 -0.108 0.000 2.667 273 G HA2 0.362 3.985 3.960 -0.562 0.000 0.250 273 G HA3 0.362 3.985 3.960 -0.562 0.000 0.250 273 G C 1.041 175.879 174.900 -0.102 0.000 1.212 273 G CA 0.037 45.107 45.100 -0.050 0.000 0.874 273 G HN 1.172 nan 8.290 nan 0.000 0.561 274 I N -1.578 118.900 120.570 -0.153 0.000 2.423 274 I HA -0.209 3.624 4.170 -0.562 0.000 0.254 274 I C 2.150 178.256 176.117 -0.019 0.000 1.151 274 I CA 2.043 63.239 61.300 -0.173 0.000 1.421 274 I CB -0.793 37.002 38.000 -0.342 0.000 1.079 274 I HN 0.777 nan 8.210 nan 0.000 0.431 275 H N 0.953 119.999 119.070 -0.040 0.000 2.363 275 H HA 0.016 4.235 4.556 -0.562 0.000 0.301 275 H C 1.854 177.243 175.328 0.102 0.000 1.074 275 H CA 1.115 57.230 56.048 0.112 0.000 1.354 275 H CB -0.477 29.430 29.762 0.242 0.000 1.397 275 H HN 0.419 nan 8.280 nan 0.000 0.516 276 E N 0.723 120.609 120.200 -0.523 0.000 2.106 276 E HA -0.133 3.880 4.350 -0.562 0.000 0.192 276 E C 2.381 178.940 176.600 -0.069 0.000 0.984 276 E CA 1.654 57.873 56.400 -0.301 0.000 0.806 276 E CB -0.042 29.413 29.700 -0.408 0.000 0.750 276 E HN 0.745 nan 8.360 nan 0.000 0.458 277 T N -1.069 113.428 114.554 -0.095 0.000 2.867 277 T HA -0.103 3.909 4.350 -0.562 0.000 0.268 277 T C 2.084 176.764 174.700 -0.033 0.000 1.057 277 T CA 1.470 63.533 62.100 -0.061 0.000 1.136 277 T CB -0.510 68.308 68.868 -0.083 0.000 0.874 277 T HN -0.044 nan 8.240 nan 0.000 0.466 278 T N 0.931 115.485 114.554 -0.001 0.000 2.674 278 T HA -0.072 3.941 4.350 -0.562 0.000 0.265 278 T C 1.466 176.178 174.700 0.020 0.000 1.039 278 T CA 1.561 63.669 62.100 0.014 0.000 1.150 278 T CB -0.666 68.243 68.868 0.069 0.000 0.864 278 T HN 0.527 nan 8.240 nan 0.000 0.427 279 Y N 2.867 123.153 120.300 -0.023 0.000 2.128 279 Y HA -0.201 4.012 4.550 -0.562 0.000 0.284 279 Y C 2.249 178.126 175.900 -0.039 0.000 1.154 279 Y CA 1.405 59.503 58.100 -0.003 0.000 1.149 279 Y CB -0.585 37.897 38.460 0.036 0.000 0.976 279 Y HN 0.120 nan 8.280 nan 0.000 0.505 280 N N -0.376 118.279 118.700 -0.075 0.000 2.149 280 N HA -0.200 4.203 4.740 -0.562 0.000 0.188 280 N C 2.172 177.567 175.510 -0.192 0.000 1.019 280 N CA 1.398 54.355 53.050 -0.155 0.000 0.857 280 N CB -0.739 37.722 38.487 -0.043 0.000 0.997 280 N HN 0.405 nan 8.380 nan 0.000 0.426 281 S N 0.794 116.399 115.700 -0.157 0.000 2.348 281 S HA 0.016 4.148 4.470 -0.562 0.000 0.221 281 S C 2.011 176.482 174.600 -0.214 0.000 1.033 281 S CA 0.635 58.738 58.200 -0.162 0.000 1.010 281 S CB -0.230 62.891 63.200 -0.132 0.000 0.891 281 S HN 0.223 nan 8.310 nan 0.000 0.442 282 I N 1.445 121.850 120.570 -0.275 0.000 2.264 282 I HA -0.178 3.654 4.170 -0.562 0.000 0.248 282 I C 2.182 178.107 176.117 -0.320 0.000 1.111 282 I CA 1.042 62.134 61.300 -0.347 0.000 1.382 282 I CB -0.294 37.379 38.000 -0.545 0.000 1.060 282 I HN 0.360 nan 8.210 nan 0.000 0.418 283 M N -0.021 119.351 119.600 -0.380 0.000 2.557 283 M HA -0.083 4.060 4.480 -0.562 0.000 0.259 283 M C 1.675 177.878 176.300 -0.162 0.000 1.086 283 M CA 1.234 56.352 55.300 -0.302 0.000 1.096 283 M CB -0.792 31.554 32.600 -0.423 0.000 1.424 283 M HN 0.098 nan 8.290 nan 0.000 0.488 284 K N -0.550 119.767 120.400 -0.137 0.000 2.444 284 K HA 0.122 4.105 4.320 -0.562 0.000 0.193 284 K C 0.361 176.977 176.600 0.026 0.000 1.024 284 K CA 0.145 56.408 56.287 -0.039 0.000 1.077 284 K CB 0.037 32.513 32.500 -0.040 0.000 0.833 284 K HN 0.303 nan 8.250 nan 0.000 0.517 285 C N 1.296 120.567 119.300 -0.049 0.000 2.358 285 C HA 0.237 4.360 4.460 -0.562 0.000 0.354 285 C C 0.697 175.665 174.990 -0.036 0.000 1.183 285 C CA -1.426 57.581 59.018 -0.018 0.000 2.150 285 C CB 1.226 28.905 27.740 -0.101 0.000 2.361 285 C HN 0.400 nan 8.230 nan 0.000 0.535 286 D N 1.037 121.414 120.400 -0.038 0.000 2.531 286 D HA -0.060 4.243 4.640 -0.562 0.000 0.239 286 D C 1.084 177.342 176.300 -0.069 0.000 1.144 286 D CA 0.330 54.293 54.000 -0.062 0.000 0.869 286 D CB 0.480 41.222 40.800 -0.096 0.000 1.160 286 D HN 0.647 nan 8.370 nan 0.000 0.484 287 I N 3.440 123.985 120.570 -0.043 0.000 2.399 287 I HA -0.284 3.549 4.170 -0.562 0.000 0.254 287 I C 1.066 177.173 176.117 -0.017 0.000 1.146 287 I CA 1.321 62.609 61.300 -0.020 0.000 1.412 287 I CB 0.172 38.170 38.000 -0.003 0.000 1.076 287 I HN 0.358 nan 8.210 nan 0.000 0.432 288 D N 0.685 121.061 120.400 -0.039 0.000 2.363 288 D HA -0.034 4.269 4.640 -0.562 0.000 0.220 288 D C 1.730 177.998 176.300 -0.054 0.000 0.994 288 D CA 1.244 55.224 54.000 -0.034 0.000 0.890 288 D CB 0.175 40.953 40.800 -0.037 0.000 0.906 288 D HN 0.673 nan 8.370 nan 0.000 0.530 289 I N -3.429 117.079 120.570 -0.103 0.000 4.227 289 I HA 0.219 4.052 4.170 -0.562 0.000 0.334 289 I C 1.805 177.898 176.117 -0.041 0.000 1.341 289 I CA -0.391 60.839 61.300 -0.117 0.000 1.123 289 I CB 0.357 38.130 38.000 -0.377 0.000 1.097 289 I HN -0.321 nan 8.210 nan 0.000 0.399 290 R N 2.121 122.599 120.500 -0.037 0.000 2.091 290 R HA -0.174 3.829 4.340 -0.562 0.000 0.238 290 R C 2.195 178.549 176.300 0.089 0.000 1.136 290 R CA 1.998 58.073 56.100 -0.042 0.000 0.959 290 R CB -0.380 29.924 30.300 0.006 0.000 0.856 290 R HN 0.405 nan 8.270 nan 0.000 0.437 291 K N 0.850 121.348 120.400 0.163 0.000 2.063 291 K HA -0.193 3.790 4.320 -0.562 0.000 0.208 291 K C 1.365 178.068 176.600 0.173 0.000 1.048 291 K CA 1.942 58.356 56.287 0.212 0.000 0.928 291 K CB 0.006 32.586 32.500 0.134 0.000 0.713 291 K HN 0.158 nan 8.250 nan 0.000 0.442 292 D N 0.703 121.178 120.400 0.124 0.000 2.144 292 D HA -0.155 4.148 4.640 -0.562 0.000 0.199 292 D C 2.044 178.403 176.300 0.098 0.000 0.984 292 D CA 1.086 55.160 54.000 0.123 0.000 0.834 292 D CB -0.029 40.873 40.800 0.169 0.000 0.955 292 D HN 0.286 nan 8.370 nan 0.000 0.465 293 L N -0.169 121.079 121.223 0.043 0.000 2.027 293 L HA -0.178 3.825 4.340 -0.562 0.000 0.206 293 L C 2.553 179.424 176.870 0.002 0.000 1.074 293 L CA 0.894 55.718 54.840 -0.027 0.000 0.745 293 L CB -0.608 41.361 42.059 -0.150 0.000 0.898 293 L HN -0.011 nan 8.230 nan 0.000 0.433 294 Y N 0.427 120.754 120.300 0.045 0.000 2.207 294 Y HA -0.231 3.983 4.550 -0.562 0.000 0.287 294 Y C 2.568 178.498 175.900 0.050 0.000 1.156 294 Y CA 1.195 59.326 58.100 0.052 0.000 1.182 294 Y CB -0.618 37.875 38.460 0.055 0.000 0.979 294 Y HN 0.132 nan 8.280 nan 0.000 0.521 295 A N -0.908 122.040 122.820 0.213 0.000 2.238 295 A HA 0.031 4.014 4.320 -0.562 0.000 0.208 295 A C 0.763 178.407 177.584 0.100 0.000 1.177 295 A CA 0.512 52.630 52.037 0.135 0.000 0.804 295 A CB -0.261 18.805 19.000 0.111 0.000 0.823 295 A HN 0.369 nan 8.150 nan 0.000 0.482 296 N N 1.333 120.089 118.700 0.093 0.000 2.672 296 N HA 0.079 4.482 4.740 -0.562 0.000 0.295 296 N C -1.417 174.126 175.510 0.054 0.000 1.924 296 N CA -0.196 52.894 53.050 0.067 0.000 0.851 296 N CB 0.409 38.931 38.487 0.059 0.000 1.281 296 N HN 0.269 nan 8.380 nan 0.000 0.494 297 N N 1.142 119.882 118.700 0.065 0.000 2.402 297 N HA 0.150 4.553 4.740 -0.562 0.000 0.252 297 N C -0.367 175.173 175.510 0.048 0.000 1.118 297 N CA 0.130 53.214 53.050 0.055 0.000 0.945 297 N CB 1.972 40.508 38.487 0.082 0.000 1.147 297 N HN -0.025 nan 8.380 nan 0.000 0.495 298 V N 4.036 123.969 119.914 0.032 0.000 2.435 298 V HA 0.369 4.152 4.120 -0.562 0.000 0.290 298 V C 0.505 176.614 176.094 0.024 0.000 1.030 298 V CA -0.558 61.759 62.300 0.030 0.000 0.881 298 V CB 1.653 33.489 31.823 0.022 0.000 0.983 298 V HN 0.524 nan 8.190 nan 0.000 0.445 299 M N 3.757 123.375 119.600 0.031 0.000 2.264 299 M HA 0.533 4.676 4.480 -0.562 0.000 0.352 299 M C -0.082 176.228 176.300 0.017 0.000 1.173 299 M CA 0.178 55.494 55.300 0.026 0.000 1.075 299 M CB 1.746 34.370 32.600 0.040 0.000 1.621 299 M HN 0.701 nan 8.290 nan 0.000 0.457 300 S N 1.875 117.580 115.700 0.008 0.000 2.546 300 S HA 0.910 5.043 4.470 -0.562 0.000 0.274 300 S C -0.704 173.892 174.600 -0.007 0.000 1.121 300 S CA 0.196 58.398 58.200 0.003 0.000 0.887 300 S CB 1.949 65.152 63.200 0.006 0.000 1.094 300 S HN 1.202 nan 8.310 nan 0.000 0.474 301 G N 1.428 110.216 108.800 -0.020 0.000 2.617 301 G HA2 0.214 3.837 3.960 -0.562 0.000 0.686 301 G HA3 0.214 3.837 3.960 -0.562 0.000 0.686 301 G C 0.703 175.553 174.900 -0.083 0.000 1.214 301 G CA -0.047 45.031 45.100 -0.037 0.000 0.796 301 G HN 1.557 nan 8.290 nan 0.000 0.654 302 G N -0.595 108.139 108.800 -0.111 0.000 2.442 302 G HA2 0.004 3.627 3.960 -0.562 0.000 0.219 302 G HA3 0.004 3.627 3.960 -0.562 0.000 0.219 302 G C 1.670 176.467 174.900 -0.172 0.000 1.141 302 G CA 2.233 47.234 45.100 -0.165 0.000 0.763 302 G HN 1.350 nan 8.290 nan 0.000 0.554 303 T N 0.635 115.132 114.554 -0.095 0.000 3.160 303 T HA 0.027 4.040 4.350 -0.562 0.000 0.257 303 T C 2.290 177.006 174.700 0.027 0.000 1.147 303 T CA 1.442 63.520 62.100 -0.038 0.000 1.064 303 T CB -0.164 68.735 68.868 0.052 0.000 0.949 303 T HN 0.547 nan 8.240 nan 0.000 0.526 304 T N -1.250 113.290 114.554 -0.024 0.000 3.105 304 T HA 0.239 4.252 4.350 -0.562 0.000 0.253 304 T C 1.665 176.365 174.700 -0.002 0.000 1.047 304 T CA -0.259 61.864 62.100 0.039 0.000 0.944 304 T CB -0.178 68.703 68.868 0.022 0.000 1.016 304 T HN 0.061 nan 8.240 nan 0.000 0.544 305 M N 0.836 120.345 119.600 -0.150 0.000 2.557 305 M HA 0.214 4.357 4.480 -0.562 0.000 0.259 305 M C -0.271 175.946 176.300 -0.139 0.000 1.086 305 M CA 0.058 55.253 55.300 -0.176 0.000 1.096 305 M CB -1.030 31.413 32.600 -0.261 0.000 1.424 305 M HN 0.359 nan 8.290 nan 0.000 0.488 306 Y N 1.512 121.841 120.300 0.049 0.000 2.721 306 Y HA 0.030 4.244 4.550 -0.562 0.000 0.329 306 Y C -1.722 174.243 175.900 0.107 0.000 1.211 306 Y CA -1.754 56.399 58.100 0.089 0.000 1.512 306 Y CB -0.707 37.819 38.460 0.109 0.000 1.249 306 Y HN 0.100 nan 8.280 nan 0.000 0.549 307 P HA 0.070 nan 4.420 nan 0.000 0.268 307 P C 0.787 178.224 177.300 0.228 0.000 1.205 307 P CA 1.313 64.525 63.100 0.187 0.000 0.771 307 P CB 0.765 32.552 31.700 0.145 0.000 0.858 308 G N 2.422 111.314 108.800 0.153 0.000 2.225 308 G HA2 -0.341 3.282 3.960 -0.562 0.000 0.254 308 G HA3 -0.341 3.282 3.960 -0.562 0.000 0.254 308 G C 0.948 175.931 174.900 0.138 0.000 0.988 308 G CA 0.251 45.434 45.100 0.139 0.000 0.625 308 G HN 0.560 nan 8.290 nan 0.000 0.527 309 I N 1.006 121.690 120.570 0.188 0.000 2.286 309 I HA 0.078 3.911 4.170 -0.562 0.000 0.248 309 I C 2.908 179.132 176.117 0.179 0.000 1.115 309 I CA 2.163 63.597 61.300 0.224 0.000 1.392 309 I CB -0.223 37.939 38.000 0.270 0.000 1.065 309 I HN 0.372 nan 8.210 nan 0.000 0.418 310 A N 0.295 123.193 122.820 0.129 0.000 1.877 310 A HA -0.242 3.741 4.320 -0.562 0.000 0.216 310 A C 1.947 179.579 177.584 0.080 0.000 1.186 310 A CA 2.054 54.152 52.037 0.102 0.000 0.620 310 A CB -0.709 18.337 19.000 0.078 0.000 0.822 310 A HN 0.444 nan 8.150 nan 0.000 0.443 311 D N -0.786 119.649 120.400 0.058 0.000 2.144 311 D HA -0.143 4.160 4.640 -0.562 0.000 0.199 311 D C 2.107 178.408 176.300 0.002 0.000 0.984 311 D CA 1.486 55.502 54.000 0.027 0.000 0.834 311 D CB -0.247 40.561 40.800 0.014 0.000 0.955 311 D HN 0.370 nan 8.370 nan 0.000 0.465 312 R N 0.424 120.915 120.500 -0.015 0.000 2.066 312 R HA -0.028 3.975 4.340 -0.562 0.000 0.232 312 R C 2.119 178.390 176.300 -0.049 0.000 1.131 312 R CA 1.065 57.087 56.100 -0.130 0.000 0.955 312 R CB -0.478 29.637 30.300 -0.309 0.000 0.851 312 R HN 0.037 nan 8.270 nan 0.000 0.432 313 M N 0.343 120.013 119.600 0.116 0.000 2.159 313 M HA -0.137 4.006 4.480 -0.562 0.000 0.263 313 M C 2.127 178.502 176.300 0.126 0.000 1.063 313 M CA 1.687 57.105 55.300 0.198 0.000 1.110 313 M CB -0.893 31.837 32.600 0.217 0.000 1.374 313 M HN 0.230 nan 8.290 nan 0.000 0.411 314 Q N 0.930 120.781 119.800 0.084 0.000 2.061 314 Q HA -0.169 3.834 4.340 -0.562 0.000 0.204 314 Q C 1.980 178.004 176.000 0.040 0.000 0.984 314 Q CA 1.983 57.825 55.803 0.065 0.000 0.846 314 Q CB -0.293 28.473 28.738 0.046 0.000 0.902 314 Q HN 0.424 nan 8.270 nan 0.000 0.421 315 K N -0.517 119.888 120.400 0.008 0.000 2.025 315 K HA -0.159 3.824 4.320 -0.562 0.000 0.207 315 K C 1.785 178.379 176.600 -0.010 0.000 1.049 315 K CA 1.449 57.724 56.287 -0.018 0.000 0.933 315 K CB 0.020 32.485 32.500 -0.058 0.000 0.714 315 K HN 0.204 nan 8.250 nan 0.000 0.438 316 E N 0.817 121.017 120.200 -0.001 0.000 2.106 316 E HA -0.150 3.863 4.350 -0.562 0.000 0.192 316 E C 2.059 178.726 176.600 0.111 0.000 0.984 316 E CA 0.726 57.154 56.400 0.047 0.000 0.806 316 E CB -0.070 29.669 29.700 0.065 0.000 0.750 316 E HN 0.340 nan 8.360 nan 0.000 0.458 317 I N 1.218 121.870 120.570 0.136 0.000 2.353 317 I HA -0.154 3.679 4.170 -0.562 0.000 0.248 317 I C 2.167 178.335 176.117 0.086 0.000 1.119 317 I CA 1.084 62.484 61.300 0.168 0.000 1.417 317 I CB -1.472 36.666 38.000 0.230 0.000 1.078 317 I HN 0.044 nan 8.210 nan 0.000 0.421 318 T N 1.513 116.090 114.554 0.039 0.000 2.759 318 T HA -0.139 3.874 4.350 -0.562 0.000 0.269 318 T C 2.022 176.702 174.700 -0.035 0.000 1.042 318 T CA 1.571 63.662 62.100 -0.016 0.000 1.140 318 T CB -0.244 68.616 68.868 -0.015 0.000 0.864 318 T HN 0.452 nan 8.240 nan 0.000 0.455 319 A N 0.763 123.569 122.820 -0.024 0.000 1.972 319 A HA 0.079 4.062 4.320 -0.562 0.000 0.219 319 A C 2.190 179.722 177.584 -0.086 0.000 1.169 319 A CA 1.081 53.092 52.037 -0.043 0.000 0.635 319 A CB -0.560 18.424 19.000 -0.027 0.000 0.810 319 A HN 0.503 nan 8.150 nan 0.000 0.446 320 L N -1.301 119.849 121.223 -0.121 0.000 2.354 320 L HA 0.205 4.208 4.340 -0.562 0.000 0.212 320 L C 1.542 178.272 176.870 -0.233 0.000 1.091 320 L CA 0.186 54.832 54.840 -0.323 0.000 0.828 320 L CB -0.353 41.360 42.059 -0.577 0.000 0.973 320 L HN 0.365 nan 8.230 nan 0.000 0.461 321 A N 0.178 122.963 122.820 -0.058 0.000 2.287 321 A HA 0.487 4.470 4.320 -0.562 0.000 0.273 321 A C -2.212 175.321 177.584 -0.085 0.000 1.091 321 A CA -1.130 50.883 52.037 -0.041 0.000 0.817 321 A CB -0.400 18.386 19.000 -0.357 0.000 1.069 321 A HN -0.066 nan 8.150 nan 0.000 0.492 322 P HA 0.049 nan 4.420 nan 0.000 0.266 322 P C 0.973 178.221 177.300 -0.086 0.000 1.195 322 P CA 0.569 63.636 63.100 -0.055 0.000 0.768 322 P CB 0.710 32.389 31.700 -0.034 0.000 0.838 323 S N 0.656 116.325 115.700 -0.052 0.000 2.419 323 S HA -0.174 3.959 4.470 -0.562 0.000 0.235 323 S C 1.366 175.935 174.600 -0.051 0.000 1.019 323 S CA 1.798 59.968 58.200 -0.049 0.000 0.982 323 S CB -1.426 61.756 63.200 -0.030 0.000 0.789 323 S HN 0.611 nan 8.310 nan 0.000 0.490 324 T N -1.913 112.612 114.554 -0.048 0.000 3.163 324 T HA 0.463 4.476 4.350 -0.562 0.000 0.252 324 T C 0.114 174.780 174.700 -0.056 0.000 1.056 324 T CA -0.531 61.545 62.100 -0.039 0.000 0.947 324 T CB -0.344 68.512 68.868 -0.021 0.000 1.016 324 T HN 0.265 nan 8.240 nan 0.000 0.554 325 M N 2.919 122.455 119.600 -0.108 0.000 2.180 325 M HA 0.354 4.497 4.480 -0.562 0.000 0.358 325 M C -0.054 176.172 176.300 -0.123 0.000 1.233 325 M CA -0.972 54.231 55.300 -0.162 0.000 1.114 325 M CB 0.968 33.329 32.600 -0.398 0.000 1.594 325 M HN 0.096 nan 8.290 nan 0.000 0.467 326 K N 5.749 126.117 120.400 -0.054 0.000 2.316 326 K HA 0.320 4.303 4.320 -0.562 0.000 0.289 326 K C -1.327 175.282 176.600 0.016 0.000 1.070 326 K CA -0.365 55.916 56.287 -0.010 0.000 0.928 326 K CB 0.347 32.859 32.500 0.022 0.000 1.039 326 K HN 0.624 nan 8.250 nan 0.000 0.480 327 I N 4.267 124.846 120.570 0.015 0.000 2.377 327 I HA 0.355 4.188 4.170 -0.562 0.000 0.293 327 I C -0.314 175.848 176.117 0.075 0.000 0.987 327 I CA -0.527 60.813 61.300 0.067 0.000 1.185 327 I CB 1.252 39.280 38.000 0.047 0.000 1.341 327 I HN 0.674 nan 8.210 nan 0.000 0.455 328 K N 6.308 126.768 120.400 0.100 0.000 2.535 328 K HA 0.569 4.552 4.320 -0.562 0.000 0.250 328 K C -1.672 174.979 176.600 0.085 0.000 0.948 328 K CA -0.559 55.775 56.287 0.079 0.000 0.796 328 K CB 2.017 34.558 32.500 0.068 0.000 1.216 328 K HN 0.356 nan 8.250 nan 0.000 0.432 329 I N 5.390 126.004 120.570 0.074 0.000 2.378 329 I HA 0.352 4.185 4.170 -0.562 0.000 0.291 329 I C -0.377 175.776 176.117 0.060 0.000 0.992 329 I CA -0.944 60.400 61.300 0.074 0.000 1.154 329 I CB 1.165 39.214 38.000 0.080 0.000 1.315 329 I HN 0.527 nan 8.210 nan 0.000 0.448 330 I N 5.401 126.004 120.570 0.056 0.000 2.362 330 I HA 0.524 4.357 4.170 -0.562 0.000 0.289 330 I C 0.361 176.505 176.117 0.046 0.000 0.994 330 I CA -0.166 61.163 61.300 0.048 0.000 1.158 330 I CB 1.757 39.784 38.000 0.044 0.000 1.315 330 I HN 0.660 nan 8.210 nan 0.000 0.451 331 A N 7.591 130.437 122.820 0.044 0.000 2.709 331 A HA 0.746 4.729 4.320 -0.562 0.000 0.332 331 A C -2.547 175.057 177.584 0.034 0.000 1.241 331 A CA -1.379 50.682 52.037 0.041 0.000 0.782 331 A CB -0.297 18.732 19.000 0.048 0.000 1.109 331 A HN 0.434 nan 8.150 nan 0.000 0.472 332 P HA 0.141 nan 4.420 nan 0.000 0.265 332 P C -1.964 175.352 177.300 0.026 0.000 1.193 332 P CA -0.772 62.349 63.100 0.034 0.000 0.765 332 P CB 0.591 32.316 31.700 0.041 0.000 0.823 333 P HA -0.183 nan 4.420 nan 0.000 0.218 333 P C 0.875 178.183 177.300 0.013 0.000 1.148 333 P CA 1.423 64.534 63.100 0.019 0.000 0.822 333 P CB -0.070 31.646 31.700 0.026 0.000 0.784 334 E N 0.318 120.538 120.200 0.034 0.000 2.419 334 E HA -0.031 3.982 4.350 -0.562 0.000 0.190 334 E C 1.298 177.916 176.600 0.031 0.000 1.040 334 E CA -0.035 56.393 56.400 0.048 0.000 0.900 334 E CB -0.804 28.960 29.700 0.107 0.000 1.054 334 E HN 0.381 nan 8.360 nan 0.000 0.462 335 R N 1.425 121.927 120.500 0.002 0.000 2.303 335 R HA -0.106 3.897 4.340 -0.562 0.000 0.225 335 R C 1.933 178.195 176.300 -0.063 0.000 1.114 335 R CA 1.288 57.385 56.100 -0.005 0.000 1.007 335 R CB -0.556 29.741 30.300 -0.005 0.000 0.861 335 R HN 0.068 nan 8.270 nan 0.000 0.471 336 K N 0.387 120.682 120.400 -0.175 0.000 2.209 336 K HA -0.151 3.832 4.320 -0.562 0.000 0.204 336 K C 0.073 176.422 176.600 -0.419 0.000 1.048 336 K CA 1.129 57.191 56.287 -0.375 0.000 0.940 336 K CB 0.139 32.273 32.500 -0.611 0.000 0.729 336 K HN 0.327 nan 8.250 nan 0.000 0.451 337 Y N -0.393 119.933 120.300 0.043 0.000 2.719 337 Y HA 0.290 4.502 4.550 -0.564 0.000 0.251 337 Y C 1.391 177.380 175.900 0.149 0.000 1.159 337 Y CA -0.640 57.516 58.100 0.093 0.000 1.166 337 Y CB 0.514 39.021 38.460 0.078 0.000 1.219 337 Y HN -0.043 nan 8.280 nan 0.000 0.551 338 S N -0.274 115.541 115.700 0.192 0.000 2.374 338 S HA -0.173 3.960 4.470 -0.562 0.000 0.227 338 S C 2.189 176.874 174.600 0.142 0.000 1.037 338 S CA 1.750 60.038 58.200 0.147 0.000 1.024 338 S CB -0.278 62.968 63.200 0.076 0.000 0.861 338 S HN 0.315 nan 8.310 nan 0.000 0.456 339 V N -0.125 119.873 119.914 0.139 0.000 2.261 339 V HA -0.197 3.586 4.120 -0.562 0.000 0.246 339 V C 1.831 177.999 176.094 0.124 0.000 1.047 339 V CA 1.895 64.254 62.300 0.099 0.000 1.015 339 V CB -0.662 31.215 31.823 0.091 0.000 0.642 339 V HN 0.708 nan 8.190 nan 0.000 0.446 340 W N 0.423 121.762 121.300 0.066 0.000 2.358 340 W HA -0.175 4.159 4.660 -0.543 0.000 0.303 340 W C 2.243 178.790 176.519 0.048 0.000 1.208 340 W CA 1.828 59.200 57.345 0.046 0.000 1.274 340 W CB -0.198 29.276 29.460 0.025 0.000 1.138 340 W HN 0.178 nan 8.180 nan 0.000 0.515 341 I N 0.455 121.216 120.570 0.318 0.000 2.208 341 I HA -0.248 3.585 4.170 -0.562 0.000 0.245 341 I C 2.642 178.743 176.117 -0.026 0.000 1.097 341 I CA 1.598 63.005 61.300 0.179 0.000 1.363 341 I CB -1.270 36.884 38.000 0.257 0.000 1.051 341 I HN 0.180 nan 8.210 nan 0.000 0.413 342 G N 0.442 109.245 108.800 0.006 0.000 2.440 342 G HA2 -0.203 3.420 3.960 -0.562 0.000 0.218 342 G HA3 -0.203 3.420 3.960 -0.562 0.000 0.218 342 G C 1.712 176.571 174.900 -0.069 0.000 1.154 342 G CA 0.855 45.962 45.100 0.012 0.000 0.767 342 G HN 0.504 nan 8.290 nan 0.000 0.552 343 G N 0.213 108.900 108.800 -0.188 0.000 2.408 343 G HA2 -0.168 3.455 3.960 -0.562 0.000 0.217 343 G HA3 -0.168 3.455 3.960 -0.562 0.000 0.217 343 G C 2.067 176.745 174.900 -0.369 0.000 1.150 343 G CA 1.506 46.446 45.100 -0.267 0.000 0.776 343 G HN 0.485 nan 8.290 nan 0.000 0.542 344 S N 0.147 115.497 115.700 -0.584 0.000 2.368 344 S HA -0.073 4.059 4.470 -0.562 0.000 0.225 344 S C 2.411 176.880 174.600 -0.219 0.000 1.030 344 S CA 1.117 59.002 58.200 -0.525 0.000 0.999 344 S CB -0.278 62.524 63.200 -0.663 0.000 0.844 344 S HN 0.377 nan 8.310 nan 0.000 0.459 345 I N 0.759 121.234 120.570 -0.159 0.000 2.127 345 I HA -0.177 3.656 4.170 -0.562 0.000 0.241 345 I C 2.350 178.384 176.117 -0.139 0.000 1.075 345 I CA 1.039 62.277 61.300 -0.104 0.000 1.334 345 I CB -0.397 37.560 38.000 -0.072 0.000 1.040 345 I HN 0.306 nan 8.210 nan 0.000 0.405 346 L N 1.025 122.152 121.223 -0.159 0.000 2.017 346 L HA -0.158 3.845 4.340 -0.562 0.000 0.208 346 L C 2.524 179.236 176.870 -0.264 0.000 1.073 346 L CA 2.158 56.858 54.840 -0.232 0.000 0.745 346 L CB -0.748 41.201 42.059 -0.183 0.000 0.894 346 L HN 0.216 nan 8.230 nan 0.000 0.432 347 A N -1.568 121.134 122.820 -0.196 0.000 2.121 347 A HA -0.144 3.839 4.320 -0.562 0.000 0.218 347 A C 2.322 179.955 177.584 0.082 0.000 1.154 347 A CA 1.473 53.471 52.037 -0.066 0.000 0.679 347 A CB -0.799 18.243 19.000 0.070 0.000 0.795 347 A HN 0.604 nan 8.150 nan 0.000 0.458 348 S N -0.691 115.011 115.700 0.004 0.000 2.593 348 S HA 0.236 4.369 4.470 -0.562 0.000 0.217 348 S C 0.545 175.169 174.600 0.040 0.000 0.966 348 S CA -0.225 58.004 58.200 0.048 0.000 0.914 348 S CB -0.460 62.752 63.200 0.021 0.000 0.776 348 S HN 0.365 nan 8.310 nan 0.000 0.523 349 L N 3.566 124.781 121.223 -0.012 0.000 2.399 349 L HA 0.248 4.250 4.340 -0.562 0.000 0.257 349 L C 1.549 178.488 176.870 0.115 0.000 1.236 349 L CA -0.359 54.487 54.840 0.011 0.000 1.144 349 L CB -0.219 41.764 42.059 -0.125 0.000 1.379 349 L HN 0.392 nan 8.230 nan 0.000 0.414 350 S N -1.337 114.446 115.700 0.138 0.000 2.440 350 S HA -0.188 3.944 4.470 -0.562 0.000 0.238 350 S C 1.754 176.444 174.600 0.149 0.000 1.010 350 S CA 1.495 59.796 58.200 0.169 0.000 0.972 350 S CB -0.388 62.889 63.200 0.128 0.000 0.774 350 S HN 0.605 nan 8.310 nan 0.000 0.501 351 T N 1.407 116.051 114.554 0.150 0.000 2.833 351 T HA 0.052 4.064 4.350 -0.562 0.000 0.269 351 T C 0.533 175.222 174.700 -0.018 0.000 1.054 351 T CA 1.030 63.172 62.100 0.070 0.000 1.135 351 T CB -0.457 68.460 68.868 0.082 0.000 0.869 351 T HN 0.508 nan 8.240 nan 0.000 0.466 352 F N 2.100 122.023 119.950 -0.044 0.000 2.701 352 F HA 0.203 4.582 4.527 -0.248 0.000 0.295 352 F C 2.005 177.765 175.800 -0.066 0.000 1.165 352 F CA -0.967 56.985 58.000 -0.081 0.000 1.399 352 F CB -0.677 38.227 39.000 -0.161 0.000 0.996 352 F HN 0.269 nan 8.300 nan 0.000 0.513 353 Q N 0.455 120.354 119.800 0.165 0.000 2.308 353 Q HA -0.314 3.689 4.340 -0.562 0.000 0.209 353 Q C 1.623 177.794 176.000 0.284 0.000 0.985 353 Q CA 1.915 57.909 55.803 0.318 0.000 0.881 353 Q CB -0.615 28.294 28.738 0.285 0.000 0.917 353 Q HN 0.564 nan 8.270 nan 0.000 0.443 354 Q N -0.251 119.627 119.800 0.130 0.000 2.437 354 Q HA -0.025 3.977 4.340 -0.562 0.000 0.210 354 Q C 1.617 177.689 176.000 0.121 0.000 0.972 354 Q CA 1.088 56.960 55.803 0.115 0.000 0.903 354 Q CB -0.102 28.661 28.738 0.042 0.000 0.967 354 Q HN 0.297 nan 8.270 nan 0.000 0.486 355 M N -0.744 118.891 119.600 0.060 0.000 2.419 355 M HA 0.070 4.212 4.480 -0.562 0.000 0.264 355 M C -0.301 176.036 176.300 0.062 0.000 1.082 355 M CA 0.195 55.499 55.300 0.006 0.000 1.119 355 M CB -0.680 31.812 32.600 -0.179 0.000 1.398 355 M HN 0.281 nan 8.290 nan 0.000 0.453 356 W N 1.131 122.482 121.300 0.085 0.000 2.193 356 W HA 0.123 4.465 4.660 -0.531 0.000 0.338 356 W C 0.185 176.823 176.519 0.198 0.000 1.310 356 W CA -0.365 57.069 57.345 0.149 0.000 1.243 356 W CB 0.138 29.654 29.460 0.094 0.000 1.165 356 W HN -0.027 nan 8.180 nan 0.000 0.566 357 I N 3.883 124.779 120.570 0.543 0.000 2.312 357 I HA 0.100 3.933 4.170 -0.562 0.000 0.291 357 I C 0.907 177.301 176.117 0.461 0.000 1.031 357 I CA -0.430 61.120 61.300 0.417 0.000 1.293 357 I CB 0.253 38.492 38.000 0.399 0.000 1.403 357 I HN 0.367 nan 8.210 nan 0.000 0.484 358 T N 1.866 116.601 114.554 0.302 0.000 2.847 358 T HA 0.221 4.234 4.350 -0.562 0.000 0.279 358 T C 0.974 175.703 174.700 0.049 0.000 0.984 358 T CA -0.733 61.500 62.100 0.222 0.000 0.988 358 T CB 1.823 70.763 68.868 0.120 0.000 1.040 358 T HN 0.511 nan 8.240 nan 0.000 0.528 359 K N 0.323 120.715 120.400 -0.012 0.000 2.057 359 K HA -0.157 3.825 4.320 -0.562 0.000 0.207 359 K C 2.414 178.898 176.600 -0.193 0.000 1.049 359 K CA 1.934 58.033 56.287 -0.313 0.000 0.931 359 K CB -0.687 31.773 32.500 -0.066 0.000 0.714 359 K HN 0.800 nan 8.250 nan 0.000 0.440 360 Q N 0.446 120.202 119.800 -0.074 0.000 2.061 360 Q HA -0.193 3.810 4.340 -0.562 0.000 0.204 360 Q C 1.704 177.669 176.000 -0.058 0.000 0.984 360 Q CA 2.070 57.841 55.803 -0.053 0.000 0.846 360 Q CB -0.069 28.657 28.738 -0.021 0.000 0.902 360 Q HN 0.498 nan 8.270 nan 0.000 0.421 361 E N -0.771 119.412 120.200 -0.029 0.000 2.153 361 E HA -0.215 3.798 4.350 -0.562 0.000 0.194 361 E C 1.648 178.224 176.600 -0.041 0.000 0.988 361 E CA 1.054 57.449 56.400 -0.009 0.000 0.811 361 E CB -0.167 29.566 29.700 0.055 0.000 0.746 361 E HN 0.458 nan 8.360 nan 0.000 0.466 362 Y N 2.179 122.320 120.300 -0.265 0.000 2.263 362 Y HA -0.185 4.028 4.550 -0.562 0.000 0.292 362 Y C 1.639 177.396 175.900 -0.237 0.000 1.130 362 Y CA 1.456 59.349 58.100 -0.344 0.000 1.179 362 Y CB 0.008 37.928 38.460 -0.900 0.000 0.998 362 Y HN -0.053 nan 8.280 nan 0.000 0.532 363 D N 0.390 120.624 120.400 -0.276 0.000 2.092 363 D HA -0.234 4.069 4.640 -0.562 0.000 0.193 363 D C 1.952 178.108 176.300 -0.240 0.000 0.994 363 D CA 2.077 55.917 54.000 -0.267 0.000 0.828 363 D CB -0.435 40.287 40.800 -0.131 0.000 0.963 363 D HN 0.767 nan 8.370 nan 0.000 0.450 364 E N 0.636 120.739 120.200 -0.161 0.000 2.208 364 E HA 0.041 4.054 4.350 -0.562 0.000 0.193 364 E C 1.687 178.214 176.600 -0.122 0.000 0.988 364 E CA 1.021 57.350 56.400 -0.118 0.000 0.828 364 E CB 0.029 29.686 29.700 -0.072 0.000 0.763 364 E HN 0.183 nan 8.360 nan 0.000 0.478 365 A N 1.111 123.845 122.820 -0.142 0.000 2.229 365 A HA 0.500 4.482 4.320 -0.562 0.000 0.211 365 A C 1.177 178.666 177.584 -0.158 0.000 1.193 365 A CA 0.502 52.474 52.037 -0.108 0.000 0.879 365 A CB 0.153 19.125 19.000 -0.046 0.000 0.911 365 A HN 0.435 nan 8.150 nan 0.000 0.492 366 G N -0.650 107.950 108.800 -0.333 0.000 2.782 366 G HA2 -0.146 3.477 3.960 -0.562 0.000 0.228 366 G HA3 -0.146 3.477 3.960 -0.562 0.000 0.228 366 G C -1.546 173.242 174.900 -0.187 0.000 1.372 366 G CA -0.250 44.592 45.100 -0.431 0.000 0.862 366 G HN 0.047 nan 8.290 nan 0.000 0.547 367 P HA -0.103 nan 4.420 nan 0.000 0.218 367 P C 2.171 179.496 177.300 0.042 0.000 1.146 367 P CA 2.487 65.720 63.100 0.222 0.000 0.813 367 P CB -0.121 31.687 31.700 0.179 0.000 0.778 368 S N -1.235 114.475 115.700 0.016 0.000 2.500 368 S HA -0.123 4.010 4.470 -0.562 0.000 0.239 368 S C 1.865 176.461 174.600 -0.007 0.000 0.989 368 S CA 0.415 58.630 58.200 0.024 0.000 0.951 368 S CB -1.267 62.003 63.200 0.116 0.000 0.759 368 S HN 0.043 nan 8.310 nan 0.000 0.523 369 I N 1.764 122.342 120.570 0.013 0.000 2.614 369 I HA -0.017 3.816 4.170 -0.562 0.000 0.258 369 I C 2.165 178.293 176.117 0.018 0.000 1.189 369 I CA 0.658 61.985 61.300 0.044 0.000 1.462 369 I CB -0.764 37.282 38.000 0.077 0.000 1.092 369 I HN 0.342 nan 8.210 nan 0.000 0.442 370 V N 1.650 121.518 119.914 -0.077 0.000 2.626 370 V HA -0.184 3.599 4.120 -0.562 0.000 0.252 370 V C 1.588 177.597 176.094 -0.142 0.000 1.067 370 V CA 0.940 63.169 62.300 -0.118 0.000 1.081 370 V CB -0.590 31.136 31.823 -0.162 0.000 0.686 370 V HN 0.364 nan 8.190 nan 0.000 0.468 371 H N 0.000 119.092 119.070 0.037 0.000 2.539 371 H HA 0.000 4.218 4.556 -0.563 0.000 0.296 371 H CA 0.000 56.062 56.048 0.023 0.000 1.023 371 H CB 0.000 29.782 29.762 0.033 0.000 1.292 371 H HN 0.000 nan 8.280 nan 0.000 0.496