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 2egy_1_D DATA FIRST_RESID 5 DATA SEQUENCE SWSEAFGKGA GRIQASTIRE LLKLTQRPGI LSFAGGLPAP ELFPKEEAAE DATA SEQUENCE AAARILREKG EVALQYSPTE GYAPLRAFVA EWIGVRPEEV LITTGSQQAL DATA SEQUENCE DLVGKVFLDE GSPVLLEAPS YMGAIQAFRL QGPRFLTVPA GEEGPDLDAL DATA SEQUENCE EEVLKRERPR FLYLIPSFQN PTGGLTPLPA RKRLLQMVME RGLVVVEDDA DATA SEQUENCE YRELYFGEAR LPSLFELARE AGYPGVIYLG SFSKVLSPGL RVAFAVAHPE DATA SEQUENCE ALQKLVQAKQ GADLHTPMLN QMLVHELLKE GFSERLERVR RVYREKAQAM DATA SEQUENCE LHALDREVPK EVRYTRPKGG MFVWMELPKG LSAEGLFRRA LEENVAFVPG DATA SEQUENCE GPFFANGGGE NTLRLSYATL DREGIAEGVR RLGRALKGLL A 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.463 174.600 -0.228 0.000 1.055 5 S CA 0.000 58.085 58.200 -0.192 0.000 1.107 5 S CB 0.000 63.033 63.200 -0.278 0.000 0.593 6 W N 2.639 123.784 121.300 -0.258 0.000 2.335 6 W HA -0.088 4.572 4.660 -0.000 0.000 0.311 6 W C 2.559 178.569 176.519 -0.848 0.000 1.213 6 W CA 1.542 58.569 57.345 -0.531 0.000 1.274 6 W CB -0.296 28.908 29.460 -0.427 0.000 1.148 6 W HN 0.364 nan 8.180 nan 0.000 0.498 7 S N 0.195 115.784 115.700 -0.186 0.000 2.419 7 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 7 S C 1.372 175.948 174.600 -0.040 0.000 1.019 7 S CA 1.454 59.616 58.200 -0.064 0.000 0.982 7 S CB -0.403 62.848 63.200 0.084 0.000 0.789 7 S HN 0.317 nan 8.310 nan 0.000 0.490 8 E N 1.678 121.834 120.200 -0.074 0.000 2.274 8 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 8 E C 2.064 178.644 176.600 -0.032 0.000 0.996 8 E CA 0.897 57.275 56.400 -0.038 0.000 0.840 8 E CB -0.416 29.250 29.700 -0.055 0.000 0.772 8 E HN 0.568 nan 8.360 nan 0.000 0.491 9 A N 1.249 124.016 122.820 -0.089 0.000 1.911 9 A HA 0.050 4.370 4.320 -0.000 0.000 0.212 9 A C 0.663 178.316 177.584 0.115 0.000 1.189 9 A CA -0.095 51.934 52.037 -0.014 0.000 0.639 9 A CB -0.393 18.600 19.000 -0.013 0.000 0.839 9 A HN 0.042 nan 8.150 nan 0.000 0.449 10 F N 0.997 121.029 119.950 0.137 0.000 2.635 10 F HA 0.341 4.868 4.527 -0.000 0.000 0.379 10 F C 1.448 177.282 175.800 0.056 0.000 1.094 10 F CA -0.086 57.966 58.000 0.085 0.000 1.300 10 F CB -0.425 38.613 39.000 0.064 0.000 1.035 10 F HN 0.189 nan 8.300 nan 0.000 0.581 11 G N 2.917 111.863 108.800 0.244 0.000 2.535 11 G HA2 0.185 4.144 3.960 -0.000 0.000 0.282 11 G HA3 0.185 4.144 3.960 -0.000 0.000 0.282 11 G C 0.777 175.740 174.900 0.104 0.000 1.350 11 G CA -0.622 44.559 45.100 0.135 0.000 1.039 11 G HN 0.627 nan 8.290 nan 0.000 0.509 12 K N -0.513 119.927 120.400 0.066 0.000 2.211 12 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 12 K C 2.548 179.163 176.600 0.026 0.000 1.050 12 K CA 0.964 57.279 56.287 0.047 0.000 0.945 12 K CB -0.184 32.337 32.500 0.034 0.000 0.732 12 K HN 0.462 nan 8.250 nan 0.000 0.451 13 G N 1.283 110.093 108.800 0.018 0.000 2.432 13 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 13 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 13 G C 1.580 176.454 174.900 -0.043 0.000 1.135 13 G CA 0.906 46.003 45.100 -0.006 0.000 0.767 13 G HN 0.336 nan 8.290 nan 0.000 0.550 14 A N 0.863 123.649 122.820 -0.057 0.000 1.908 14 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 14 A C 2.585 180.098 177.584 -0.119 0.000 1.181 14 A CA 1.977 53.912 52.037 -0.170 0.000 0.627 14 A CB -0.889 17.982 19.000 -0.214 0.000 0.818 14 A HN 0.562 nan 8.150 nan 0.000 0.445 15 G N -1.682 107.099 108.800 -0.032 0.000 2.848 15 G HA2 0.088 4.048 3.960 -0.000 0.000 0.208 15 G HA3 0.088 4.048 3.960 -0.000 0.000 0.208 15 G C 1.491 176.384 174.900 -0.012 0.000 1.152 15 G CA 0.466 45.559 45.100 -0.011 0.000 0.789 15 G HN 0.568 nan 8.290 nan 0.000 0.531 16 R N -0.644 119.844 120.500 -0.019 0.000 2.225 16 R HA 0.148 4.488 4.340 -0.000 0.000 0.194 16 R C 2.329 178.618 176.300 -0.019 0.000 0.949 16 R CA 0.422 56.522 56.100 -0.001 0.000 1.088 16 R CB -0.176 30.134 30.300 0.016 0.000 1.106 16 R HN 0.449 nan 8.270 nan 0.000 0.566 17 I N 0.480 121.021 120.570 -0.050 0.000 2.423 17 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 17 I C 0.243 176.312 176.117 -0.079 0.000 1.151 17 I CA 0.724 61.983 61.300 -0.069 0.000 1.421 17 I CB -0.823 37.119 38.000 -0.096 0.000 1.079 17 I HN 0.074 nan 8.210 nan 0.000 0.431 18 Q N -0.002 119.751 119.800 -0.079 0.000 0.429 18 Q HA -0.202 4.138 4.340 -0.000 0.000 0.335 18 Q C 0.496 176.443 176.000 -0.089 0.000 1.091 18 Q CA 0.707 56.465 55.803 -0.075 0.000 0.215 18 Q CB -0.992 27.711 28.738 -0.058 0.000 5.634 18 Q HN 0.732 nan 8.270 nan 0.000 0.310 19 A N 0.186 122.958 122.820 -0.079 0.000 2.311 19 A HA 0.707 5.027 4.320 -0.000 0.000 0.272 19 A C 0.222 177.753 177.584 -0.089 0.000 1.438 19 A CA 0.823 52.812 52.037 -0.080 0.000 0.819 19 A CB 0.021 18.982 19.000 -0.065 0.000 1.336 19 A HN 1.361 nan 8.150 nan 0.000 0.528 20 S N -2.720 112.928 115.700 -0.085 0.000 2.582 20 S HA 0.609 5.079 4.470 -0.000 0.000 0.287 20 S C -0.251 174.299 174.600 -0.084 0.000 1.146 20 S CA 0.366 58.509 58.200 -0.095 0.000 0.941 20 S CB 0.029 63.171 63.200 -0.096 0.000 1.115 20 S HN 1.848 nan 8.310 nan 0.000 0.458 21 T N 1.901 116.398 114.554 -0.096 0.000 3.285 21 T HA 0.544 4.893 4.350 -0.000 0.000 0.232 21 T C 1.229 175.884 174.700 -0.074 0.000 0.973 21 T CA 0.210 62.258 62.100 -0.086 0.000 1.023 21 T CB -1.358 67.445 68.868 -0.108 0.000 1.158 21 T HN 1.093 nan 8.240 nan 0.000 0.590 22 I N -2.080 118.455 120.570 -0.058 0.000 2.584 22 I HA 0.108 4.278 4.170 -0.000 0.000 0.255 22 I C 2.033 178.144 176.117 -0.009 0.000 1.145 22 I CA 0.294 61.574 61.300 -0.033 0.000 1.462 22 I CB 0.110 38.090 38.000 -0.033 0.000 1.102 22 I HN 0.341 nan 8.210 nan 0.000 0.433 23 R N 0.353 120.845 120.500 -0.014 0.000 2.437 23 R HA 0.268 4.608 4.340 -0.000 0.000 0.257 23 R C 1.372 177.671 176.300 -0.002 0.000 0.927 23 R CA 0.040 56.140 56.100 0.000 0.000 1.078 23 R CB -0.172 30.128 30.300 -0.001 0.000 1.161 23 R HN 0.180 nan 8.270 nan 0.000 0.529 24 E N 1.499 121.688 120.200 -0.018 0.000 2.285 24 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 24 E C 1.361 177.955 176.600 -0.010 0.000 0.997 24 E CA 0.711 57.099 56.400 -0.020 0.000 0.845 24 E CB 0.186 29.859 29.700 -0.046 0.000 0.782 24 E HN 0.464 nan 8.360 nan 0.000 0.491 25 L N -1.410 119.804 121.223 -0.015 0.000 2.558 25 L HA 0.221 4.561 4.340 -0.000 0.000 0.225 25 L C 1.454 178.365 176.870 0.068 0.000 1.128 25 L CA 0.734 55.581 54.840 0.011 0.000 0.868 25 L CB -0.307 41.745 42.059 -0.012 0.000 1.006 25 L HN 0.045 nan 8.230 nan 0.000 0.454 26 L N -0.596 120.656 121.223 0.048 0.000 2.672 26 L HA 0.408 4.748 4.340 -0.000 0.000 0.236 26 L C 2.439 179.333 176.870 0.040 0.000 1.092 26 L CA 1.217 56.087 54.840 0.049 0.000 0.887 26 L CB -0.388 41.696 42.059 0.042 0.000 1.168 26 L HN 0.199 nan 8.230 nan 0.000 0.502 27 K N 0.540 120.962 120.400 0.037 0.000 2.007 27 K HA 0.052 4.372 4.320 -0.000 0.000 0.206 27 K C 1.301 177.922 176.600 0.036 0.000 1.047 27 K CA 1.850 58.155 56.287 0.030 0.000 0.937 27 K CB -1.110 31.404 32.500 0.023 0.000 0.718 27 K HN 0.381 nan 8.250 nan 0.000 0.438 28 L N -1.170 120.088 121.223 0.059 0.000 2.848 28 L HA 0.478 4.818 4.340 -0.000 0.000 0.240 28 L C 0.682 177.585 176.870 0.055 0.000 1.232 28 L CA 0.878 55.752 54.840 0.058 0.000 1.031 28 L CB -1.212 40.900 42.059 0.088 0.000 1.338 28 L HN 0.321 nan 8.230 nan 0.000 0.509 29 T N -0.158 114.429 114.554 0.055 0.000 3.477 29 T HA 0.478 4.828 4.350 -0.000 0.000 0.277 29 T C 0.208 174.925 174.700 0.029 0.000 1.090 29 T CA -0.055 62.071 62.100 0.045 0.000 1.635 29 T CB 0.179 69.111 68.868 0.106 0.000 0.817 29 T HN 0.277 nan 8.240 nan 0.000 0.609 30 Q N 0.584 120.390 119.800 0.010 0.000 1.338 30 Q HA -0.072 4.268 4.340 -0.000 0.000 0.125 30 Q C 0.936 176.936 176.000 0.000 0.000 0.705 30 Q CA 0.307 56.113 55.803 0.004 0.000 0.630 30 Q CB -0.161 28.586 28.738 0.015 0.000 1.106 30 Q HN 0.501 nan 8.270 nan 0.000 0.350 31 R N -1.299 119.200 120.500 -0.003 0.000 2.210 31 R HA 0.497 4.837 4.340 -0.000 0.000 0.203 31 R C -0.344 175.951 176.300 -0.009 0.000 1.010 31 R CA 1.231 57.329 56.100 -0.004 0.000 1.008 31 R CB -1.649 28.649 30.300 -0.003 0.000 0.923 31 R HN 0.373 nan 8.270 nan 0.000 0.469 32 P HA 0.434 nan 4.420 nan 0.000 0.294 32 P C -0.639 176.649 177.300 -0.021 0.000 0.772 32 P CA -0.209 62.882 63.100 -0.016 0.000 0.506 32 P CB 0.001 31.692 31.700 -0.015 0.000 1.350 33 G N 0.329 109.116 108.800 -0.021 0.000 3.397 33 G HA2 0.459 4.419 3.960 -0.000 0.000 0.248 33 G HA3 0.459 4.419 3.960 -0.000 0.000 0.248 33 G C 0.274 175.157 174.900 -0.029 0.000 1.284 33 G CA 0.334 45.420 45.100 -0.023 0.000 1.570 33 G HN 0.588 nan 8.290 nan 0.000 0.587 34 I N 0.203 120.752 120.570 -0.034 0.000 2.392 34 I HA 0.496 4.665 4.170 -0.000 0.000 0.295 34 I C -0.689 175.394 176.117 -0.057 0.000 0.985 34 I CA -1.138 60.137 61.300 -0.042 0.000 1.221 34 I CB 1.577 39.552 38.000 -0.042 0.000 1.366 34 I HN -0.135 nan 8.210 nan 0.000 0.467 35 L N 6.935 128.115 121.223 -0.073 0.000 2.280 35 L HA 0.374 4.714 4.340 -0.000 0.000 0.287 35 L C -0.130 176.635 176.870 -0.174 0.000 1.023 35 L CA -0.247 54.506 54.840 -0.145 0.000 0.819 35 L CB 1.619 43.578 42.059 -0.167 0.000 1.212 35 L HN 0.536 nan 8.230 nan 0.000 0.420 36 S N 2.344 117.934 115.700 -0.182 0.000 2.462 36 S HA 0.482 4.952 4.470 -0.000 0.000 0.294 36 S C 0.197 174.704 174.600 -0.155 0.000 1.144 36 S CA -0.390 57.757 58.200 -0.088 0.000 1.088 36 S CB 0.579 63.783 63.200 0.007 0.000 1.009 36 S HN 0.474 nan 8.310 nan 0.000 0.484 37 F N 2.633 122.685 119.950 0.171 0.000 2.678 37 F HA 0.424 4.951 4.527 -0.000 0.000 0.305 37 F C 1.279 177.224 175.800 0.242 0.000 1.090 37 F CA -0.233 57.888 58.000 0.201 0.000 1.272 37 F CB 0.363 39.497 39.000 0.224 0.000 1.060 37 F HN 0.660 nan 8.300 nan 0.000 0.576 38 A N 0.378 123.419 122.820 0.368 0.000 2.304 38 A HA 0.686 5.006 4.320 -0.000 0.000 0.271 38 A C 0.667 178.411 177.584 0.266 0.000 1.091 38 A CA 0.370 52.602 52.037 0.325 0.000 0.812 38 A CB -0.142 19.013 19.000 0.258 0.000 1.056 38 A HN 0.548 nan 8.150 nan 0.000 0.489 39 G N -1.125 107.842 108.800 0.278 0.000 2.619 39 G HA2 0.436 4.396 3.960 -0.000 0.000 0.686 39 G HA3 0.436 4.396 3.960 -0.000 0.000 0.686 39 G C 0.142 175.256 174.900 0.356 0.000 1.256 39 G CA -0.116 45.141 45.100 0.260 0.000 0.826 39 G HN 1.982 nan 8.290 nan 0.000 0.619 40 G N -0.514 108.495 108.800 0.348 0.000 4.716 40 G HA2 0.595 4.555 3.960 -0.000 0.000 0.282 40 G HA3 0.595 4.555 3.960 -0.000 0.000 0.282 40 G C -0.132 174.941 174.900 0.288 0.000 1.173 40 G CA -0.335 45.031 45.100 0.443 0.000 0.913 40 G HN 0.662 nan 8.290 nan 0.000 0.566 41 L N 1.411 122.764 121.223 0.216 0.000 2.331 41 L HA 0.431 4.771 4.340 -0.000 0.000 0.278 41 L C -1.904 175.073 176.870 0.177 0.000 1.106 41 L CA -1.756 53.199 54.840 0.191 0.000 0.824 41 L CB 1.214 43.366 42.059 0.155 0.000 1.142 41 L HN 0.004 nan 8.230 nan 0.000 0.443 42 P HA 0.171 nan 4.420 nan 0.000 0.273 42 P C -1.001 176.343 177.300 0.073 0.000 1.250 42 P CA -0.555 62.698 63.100 0.256 0.000 0.793 42 P CB 0.518 32.438 31.700 0.366 0.000 1.011 43 A N 2.444 125.259 122.820 -0.008 0.000 2.491 43 A HA 0.226 4.546 4.320 -0.000 0.000 0.261 43 A C -1.505 175.749 177.584 -0.550 0.000 1.101 43 A CA -0.653 51.229 52.037 -0.258 0.000 0.772 43 A CB -0.854 17.915 19.000 -0.384 0.000 1.043 43 A HN 0.407 nan 8.150 nan 0.000 0.501 44 P HA -0.185 nan 4.420 nan 0.000 0.220 44 P C 1.347 178.202 177.300 -0.742 0.000 1.148 44 P CA 1.367 63.837 63.100 -1.050 0.000 0.803 44 P CB 0.233 31.677 31.700 -0.426 0.000 0.782 45 E N -0.168 119.791 120.200 -0.402 0.000 2.110 45 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 45 E C 1.709 178.218 176.600 -0.151 0.000 0.988 45 E CA 1.196 57.465 56.400 -0.218 0.000 0.804 45 E CB -1.398 28.203 29.700 -0.164 0.000 0.745 45 E HN 0.182 nan 8.360 nan 0.000 0.458 46 L N 0.764 121.885 121.223 -0.170 0.000 2.131 46 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 46 L C 0.748 177.721 176.870 0.171 0.000 1.092 46 L CA 0.630 55.475 54.840 0.009 0.000 0.759 46 L CB -1.124 40.980 42.059 0.076 0.000 0.903 46 L HN -0.016 nan 8.230 nan 0.000 0.435 47 F N 2.550 122.526 119.950 0.042 0.000 2.514 47 F HA 0.031 4.558 4.527 -0.000 0.000 0.399 47 F C -1.189 174.625 175.800 0.024 0.000 1.011 47 F CA -2.905 55.118 58.000 0.039 0.000 1.109 47 F CB -1.567 37.453 39.000 0.032 0.000 0.980 47 F HN 0.099 nan 8.300 nan 0.000 0.538 48 P HA 0.111 nan 4.420 nan 0.000 0.270 48 P C -0.104 177.248 177.300 0.087 0.000 1.223 48 P CA -0.091 63.072 63.100 0.106 0.000 0.785 48 P CB 1.731 33.469 31.700 0.064 0.000 0.923 49 K N 0.110 120.542 120.400 0.053 0.000 2.720 49 K HA 0.013 4.332 4.320 -0.000 0.000 0.231 49 K C 1.856 178.464 176.600 0.014 0.000 1.638 49 K CA -0.029 56.282 56.287 0.039 0.000 0.935 49 K CB -0.534 31.995 32.500 0.050 0.000 1.982 49 K HN 0.212 nan 8.250 nan 0.000 0.400 50 E N 2.020 122.226 120.200 0.011 0.000 2.130 50 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 50 E C 1.307 177.902 176.600 -0.009 0.000 0.998 50 E CA 1.783 58.183 56.400 -0.000 0.000 0.806 50 E CB 0.066 29.766 29.700 -0.000 0.000 0.738 50 E HN 0.295 nan 8.360 nan 0.000 0.459 51 E N -0.532 119.663 120.200 -0.008 0.000 2.051 51 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 51 E C 2.003 178.582 176.600 -0.035 0.000 0.991 51 E CA 1.065 57.452 56.400 -0.022 0.000 0.799 51 E CB -0.210 29.480 29.700 -0.018 0.000 0.748 51 E HN 0.372 nan 8.360 nan 0.000 0.449 52 A N 1.513 124.316 122.820 -0.029 0.000 1.855 52 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 52 A C 2.420 179.979 177.584 -0.041 0.000 1.191 52 A CA 1.559 53.570 52.037 -0.043 0.000 0.613 52 A CB -0.731 18.247 19.000 -0.037 0.000 0.829 52 A HN 0.283 nan 8.150 nan 0.000 0.442 53 A N -0.442 122.361 122.820 -0.027 0.000 1.940 53 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 53 A C 2.091 179.658 177.584 -0.030 0.000 1.176 53 A CA 1.992 54.014 52.037 -0.026 0.000 0.631 53 A CB -0.470 18.521 19.000 -0.015 0.000 0.814 53 A HN 0.575 nan 8.150 nan 0.000 0.446 54 E N 0.416 120.598 120.200 -0.030 0.000 2.028 54 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 54 E C 2.254 178.829 176.600 -0.042 0.000 0.988 54 E CA 1.378 57.759 56.400 -0.032 0.000 0.799 54 E CB -0.453 29.230 29.700 -0.030 0.000 0.755 54 E HN 0.430 nan 8.360 nan 0.000 0.447 55 A N 1.463 124.251 122.820 -0.054 0.000 1.940 55 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 55 A C 2.462 180.005 177.584 -0.068 0.000 1.176 55 A CA 2.408 54.404 52.037 -0.070 0.000 0.631 55 A CB -0.785 18.160 19.000 -0.092 0.000 0.814 55 A HN 0.394 nan 8.150 nan 0.000 0.446 56 A N -0.184 122.599 122.820 -0.063 0.000 1.902 56 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 56 A C 2.500 180.055 177.584 -0.048 0.000 1.181 56 A CA 2.105 54.106 52.037 -0.060 0.000 0.623 56 A CB -1.002 17.966 19.000 -0.053 0.000 0.818 56 A HN 1.096 nan 8.150 nan 0.000 0.443 57 A N -0.479 122.317 122.820 -0.040 0.000 1.969 57 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 57 A C 2.235 179.800 177.584 -0.032 0.000 1.169 57 A CA 1.664 53.681 52.037 -0.032 0.000 0.635 57 A CB -0.431 18.553 19.000 -0.026 0.000 0.810 57 A HN 0.567 nan 8.150 nan 0.000 0.445 58 R N -0.489 119.989 120.500 -0.037 0.000 2.153 58 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 58 R C 1.564 177.843 176.300 -0.036 0.000 1.072 58 R CA 1.101 57.180 56.100 -0.034 0.000 0.990 58 R CB -0.157 30.120 30.300 -0.038 0.000 0.889 58 R HN 0.423 nan 8.270 nan 0.000 0.452 59 I N 0.942 121.484 120.570 -0.047 0.000 2.277 59 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 59 I C 2.228 178.321 176.117 -0.040 0.000 1.094 59 I CA 1.072 62.341 61.300 -0.052 0.000 1.393 59 I CB -0.948 37.004 38.000 -0.081 0.000 1.078 59 I HN 0.248 nan 8.210 nan 0.000 0.417 60 L N 0.274 121.474 121.223 -0.039 0.000 2.056 60 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 60 L C 2.780 179.636 176.870 -0.022 0.000 1.078 60 L CA 1.177 55.999 54.840 -0.031 0.000 0.749 60 L CB -0.467 41.574 42.059 -0.030 0.000 0.901 60 L HN 0.209 nan 8.230 nan 0.000 0.433 61 R N -0.053 120.434 120.500 -0.022 0.000 2.153 61 R HA -0.092 4.248 4.340 -0.000 0.000 0.218 61 R C 1.826 178.119 176.300 -0.012 0.000 1.072 61 R CA 1.021 57.111 56.100 -0.016 0.000 0.990 61 R CB 0.181 30.471 30.300 -0.017 0.000 0.889 61 R HN 0.423 nan 8.270 nan 0.000 0.452 62 E N -0.125 120.067 120.200 -0.012 0.000 2.110 62 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 62 E C 0.410 177.009 176.600 -0.000 0.000 0.950 62 E CA 0.665 57.061 56.400 -0.006 0.000 0.840 62 E CB 0.462 30.159 29.700 -0.005 0.000 0.809 62 E HN 0.029 nan 8.360 nan 0.000 0.465 63 K N 0.311 120.710 120.400 -0.001 0.000 3.010 63 K HA 0.191 4.511 4.320 -0.000 0.000 0.211 63 K C 0.774 177.372 176.600 -0.003 0.000 1.146 63 K CA -0.172 56.119 56.287 0.007 0.000 1.070 63 K CB 1.170 33.685 32.500 0.025 0.000 0.908 63 K HN 0.102 nan 8.250 nan 0.000 0.463 64 G N 1.458 110.253 108.800 -0.009 0.000 2.443 64 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 64 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 64 G C 1.323 176.217 174.900 -0.011 0.000 1.131 64 G CA 0.596 45.688 45.100 -0.014 0.000 0.775 64 G HN 0.443 nan 8.290 nan 0.000 0.547 65 E N 0.851 121.048 120.200 -0.005 0.000 2.274 65 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 65 E C 2.228 178.828 176.600 0.000 0.000 0.996 65 E CA 1.120 57.517 56.400 -0.005 0.000 0.840 65 E CB -0.590 29.109 29.700 -0.001 0.000 0.772 65 E HN 0.338 nan 8.360 nan 0.000 0.491 66 V N 0.341 120.260 119.914 0.008 0.000 3.125 66 V HA 0.267 4.387 4.120 -0.000 0.000 0.249 66 V C 2.169 178.272 176.094 0.015 0.000 1.113 66 V CA 1.173 63.484 62.300 0.019 0.000 1.106 66 V CB 0.107 31.955 31.823 0.042 0.000 0.768 66 V HN 0.311 nan 8.190 nan 0.000 0.468 67 A N -0.162 122.659 122.820 0.001 0.000 2.016 67 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 67 A C 1.752 179.337 177.584 0.001 0.000 1.162 67 A CA 1.338 53.368 52.037 -0.012 0.000 0.662 67 A CB -0.289 18.690 19.000 -0.035 0.000 0.812 67 A HN 0.488 nan 8.150 nan 0.000 0.450 68 L N -0.456 120.763 121.223 -0.007 0.000 2.607 68 L HA 0.226 4.566 4.340 -0.000 0.000 0.228 68 L C 1.012 177.862 176.870 -0.032 0.000 1.123 68 L CA 0.542 55.373 54.840 -0.015 0.000 0.890 68 L CB -0.305 41.738 42.059 -0.026 0.000 1.103 68 L HN 0.325 nan 8.230 nan 0.000 0.468 69 Q N -1.385 118.403 119.800 -0.020 0.000 2.169 69 Q HA 0.223 4.563 4.340 -0.000 0.000 0.234 69 Q C -0.768 175.239 176.000 0.012 0.000 0.980 69 Q CA -0.679 55.101 55.803 -0.037 0.000 0.941 69 Q CB 0.951 29.686 28.738 -0.006 0.000 1.199 69 Q HN 0.122 nan 8.270 nan 0.000 0.496 70 Y N 0.267 120.571 120.300 0.007 0.000 2.511 70 Y HA 0.015 4.565 4.550 0.000 0.000 0.332 70 Y C 0.460 176.198 175.900 -0.270 0.000 1.177 70 Y CA 0.156 58.237 58.100 -0.032 0.000 1.422 70 Y CB 0.802 39.277 38.460 0.024 0.000 1.271 70 Y HN 0.336 nan 8.280 nan 0.000 0.550 71 S N 5.042 120.369 115.700 -0.623 0.000 2.566 71 S HA 0.377 4.846 4.470 -0.000 0.000 0.298 71 S C -2.652 171.713 174.600 -0.391 0.000 1.083 71 S CA -1.564 56.339 58.200 -0.495 0.000 0.978 71 S CB 1.680 64.615 63.200 -0.441 0.000 1.073 71 S HN 0.417 nan 8.310 nan 0.000 0.491 72 P HA 0.014 nan 4.420 nan 0.000 0.263 72 P C 0.472 177.778 177.300 0.010 0.000 1.175 72 P CA 0.255 63.325 63.100 -0.051 0.000 0.761 72 P CB 0.228 31.914 31.700 -0.023 0.000 0.794 73 T N 2.606 117.187 114.554 0.046 0.000 2.607 73 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 73 T C 1.473 176.231 174.700 0.097 0.000 1.049 73 T CA 1.984 64.143 62.100 0.099 0.000 1.162 73 T CB -0.564 68.341 68.868 0.062 0.000 0.863 73 T HN 0.517 nan 8.240 nan 0.000 0.424 74 E N 0.491 120.729 120.200 0.063 0.000 2.233 74 E HA 0.137 4.487 4.350 -0.000 0.000 0.199 74 E C 1.114 177.765 176.600 0.086 0.000 1.004 74 E CA 0.922 57.360 56.400 0.063 0.000 0.819 74 E CB -0.375 29.346 29.700 0.035 0.000 0.738 74 E HN 0.666 nan 8.360 nan 0.000 0.478 75 G N -0.917 107.939 108.800 0.095 0.000 2.555 75 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.686 75 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.686 75 G C -1.224 173.750 174.900 0.122 0.000 1.275 75 G CA -0.612 44.568 45.100 0.133 0.000 0.871 75 G HN 0.118 nan 8.290 nan 0.000 0.603 76 Y N 1.708 122.017 120.300 0.014 0.000 2.804 76 Y HA 0.304 4.855 4.550 0.000 0.000 0.338 76 Y C 1.791 177.660 175.900 -0.052 0.000 1.252 76 Y CA 1.385 59.467 58.100 -0.030 0.000 1.576 76 Y CB 0.566 38.999 38.460 -0.045 0.000 1.223 76 Y HN 1.220 nan 8.280 nan 0.000 0.536 77 A N 7.388 129.967 122.820 -0.401 0.000 1.883 77 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 77 A C -0.351 176.985 177.584 -0.413 0.000 1.186 77 A CA 1.719 53.553 52.037 -0.338 0.000 0.624 77 A CB -1.687 17.141 19.000 -0.287 0.000 0.822 77 A HN 0.721 nan 8.150 nan 0.000 0.444 78 P HA -0.101 nan 4.420 nan 0.000 0.220 78 P C 1.597 178.631 177.300 -0.444 0.000 1.148 78 P CA 0.606 63.349 63.100 -0.596 0.000 0.803 78 P CB -0.008 31.221 31.700 -0.786 0.000 0.782 79 L N -0.832 120.226 121.223 -0.274 0.000 2.068 79 L HA -0.056 4.284 4.340 -0.000 0.000 0.204 79 L C 2.417 179.355 176.870 0.114 0.000 1.076 79 L CA 1.288 56.144 54.840 0.028 0.000 0.753 79 L CB -0.252 41.934 42.059 0.212 0.000 0.910 79 L HN -0.115 nan 8.230 nan 0.000 0.439 80 R N 0.059 120.580 120.500 0.036 0.000 2.103 80 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 80 R C 2.169 178.464 176.300 -0.009 0.000 1.142 80 R CA 1.512 57.621 56.100 0.014 0.000 0.960 80 R CB -0.680 29.612 30.300 -0.014 0.000 0.858 80 R HN 0.428 nan 8.270 nan 0.000 0.439 81 A N 1.108 123.920 122.820 -0.014 0.000 1.902 81 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 81 A C 1.996 179.621 177.584 0.068 0.000 1.181 81 A CA 1.120 53.160 52.037 0.004 0.000 0.623 81 A CB -0.634 18.360 19.000 -0.011 0.000 0.818 81 A HN 0.356 nan 8.150 nan 0.000 0.443 82 F N 0.759 120.710 119.950 0.002 0.000 2.134 82 F HA -0.143 4.384 4.527 0.000 0.000 0.299 82 F C 2.151 178.032 175.800 0.135 0.000 1.097 82 F CA 1.917 59.965 58.000 0.080 0.000 1.264 82 F CB -0.284 38.784 39.000 0.114 0.000 1.001 82 F HN 0.021 nan 8.300 nan 0.000 0.479 83 V N 0.451 120.367 119.914 0.003 0.000 2.427 83 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 83 V C 2.736 178.657 176.094 -0.288 0.000 1.051 83 V CA 1.551 63.729 62.300 -0.203 0.000 1.048 83 V CB -1.453 30.095 31.823 -0.459 0.000 0.666 83 V HN 0.485 nan 8.190 nan 0.000 0.456 84 A N -0.124 122.586 122.820 -0.183 0.000 1.902 84 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 84 A C 2.191 179.712 177.584 -0.105 0.000 1.181 84 A CA 2.093 54.043 52.037 -0.144 0.000 0.623 84 A CB -0.465 18.486 19.000 -0.082 0.000 0.818 84 A HN 0.517 nan 8.150 nan 0.000 0.443 85 E N -0.928 119.224 120.200 -0.080 0.000 2.028 85 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 85 E C 1.679 178.283 176.600 0.008 0.000 0.988 85 E CA 1.544 57.923 56.400 -0.034 0.000 0.799 85 E CB -0.477 29.211 29.700 -0.020 0.000 0.755 85 E HN 0.707 nan 8.360 nan 0.000 0.447 86 W N 0.526 121.645 121.300 -0.301 0.000 2.335 86 W HA -0.150 4.510 4.660 0.000 0.000 0.311 86 W C 1.712 178.173 176.519 -0.097 0.000 1.213 86 W CA 1.278 58.500 57.345 -0.206 0.000 1.274 86 W CB -0.773 28.495 29.460 -0.320 0.000 1.148 86 W HN 0.149 nan 8.180 nan 0.000 0.498 87 I N 1.039 121.435 120.570 -0.289 0.000 2.761 87 I HA 0.155 4.325 4.170 -0.000 0.000 0.261 87 I C 1.741 177.745 176.117 -0.188 0.000 1.198 87 I CA 1.462 62.509 61.300 -0.422 0.000 1.482 87 I CB -1.011 36.662 38.000 -0.545 0.000 1.100 87 I HN 0.267 nan 8.210 nan 0.000 0.445 88 G N 1.078 109.819 108.800 -0.098 0.000 2.452 88 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.275 88 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.275 88 G C 0.078 174.971 174.900 -0.013 0.000 1.131 88 G CA 0.211 45.291 45.100 -0.033 0.000 1.031 88 G HN 0.588 nan 8.290 nan 0.000 0.511 89 V N -3.567 116.326 119.914 -0.035 0.000 3.109 89 V HA 0.987 5.107 4.120 -0.000 0.000 0.311 89 V C -0.021 176.058 176.094 -0.026 0.000 1.389 89 V CA -1.510 60.786 62.300 -0.007 0.000 1.034 89 V CB 1.690 33.516 31.823 0.005 0.000 1.105 89 V HN 0.630 nan 8.190 nan 0.000 0.477 90 R N 0.911 121.398 120.500 -0.022 0.000 2.338 90 R HA 0.646 4.986 4.340 -0.000 0.000 0.317 90 R C -2.200 174.078 176.300 -0.038 0.000 0.968 90 R CA -2.394 53.688 56.100 -0.029 0.000 0.849 90 R CB 1.140 31.422 30.300 -0.029 0.000 1.128 90 R HN 0.544 nan 8.270 nan 0.000 0.448 91 P HA -0.201 nan 4.420 nan 0.000 0.218 91 P C -0.128 177.152 177.300 -0.034 0.000 1.150 91 P CA 1.376 64.451 63.100 -0.042 0.000 0.841 91 P CB 0.358 32.035 31.700 -0.039 0.000 0.784 92 E N -0.758 119.424 120.200 -0.030 0.000 2.418 92 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 92 E C 1.216 177.805 176.600 -0.017 0.000 1.026 92 E CA 0.663 57.050 56.400 -0.023 0.000 0.862 92 E CB -0.618 29.066 29.700 -0.027 0.000 0.799 92 E HN 0.458 nan 8.360 nan 0.000 0.518 93 E N 0.233 120.420 120.200 -0.021 0.000 2.437 93 E HA 0.098 4.448 4.350 -0.000 0.000 0.189 93 E C -0.603 175.995 176.600 -0.004 0.000 1.054 93 E CA -0.039 56.357 56.400 -0.007 0.000 0.874 93 E CB 0.768 30.467 29.700 -0.001 0.000 1.011 93 E HN -0.029 nan 8.360 nan 0.000 0.474 94 V N 2.141 122.047 119.914 -0.013 0.000 2.487 94 V HA 0.261 4.381 4.120 -0.000 0.000 0.298 94 V C -0.803 175.315 176.094 0.039 0.000 1.028 94 V CA -0.949 61.344 62.300 -0.011 0.000 0.860 94 V CB 1.812 33.587 31.823 -0.079 0.000 0.991 94 V HN 0.074 nan 8.190 nan 0.000 0.427 95 L N 6.908 128.183 121.223 0.086 0.000 2.325 95 L HA 0.650 4.990 4.340 -0.000 0.000 0.281 95 L C -0.527 176.445 176.870 0.169 0.000 1.004 95 L CA 0.060 54.964 54.840 0.107 0.000 0.823 95 L CB 1.268 43.383 42.059 0.093 0.000 1.236 95 L HN 0.546 nan 8.230 nan 0.000 0.415 96 I N 4.900 125.576 120.570 0.175 0.000 2.352 96 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 96 I C 0.454 176.679 176.117 0.180 0.000 1.036 96 I CA -0.176 61.265 61.300 0.234 0.000 1.336 96 I CB 1.209 39.353 38.000 0.240 0.000 1.407 96 I HN 0.780 nan 8.210 nan 0.000 0.497 97 T N 0.644 115.298 114.554 0.167 0.000 2.940 97 T HA 0.269 4.619 4.350 -0.000 0.000 0.288 97 T C 0.292 175.048 174.700 0.093 0.000 1.033 97 T CA -0.728 61.435 62.100 0.105 0.000 1.033 97 T CB 1.528 70.435 68.868 0.065 0.000 1.079 97 T HN 0.448 nan 8.240 nan 0.000 0.496 98 T N 2.576 117.168 114.554 0.063 0.000 4.578 98 T HA 0.510 4.860 4.350 -0.000 0.000 0.236 98 T C 0.818 175.539 174.700 0.034 0.000 1.038 98 T CA 0.554 62.682 62.100 0.048 0.000 1.067 98 T CB -1.441 67.442 68.868 0.024 0.000 1.390 98 T HN 1.381 nan 8.240 nan 0.000 1.076 99 G N 0.959 109.782 108.800 0.038 0.000 2.712 99 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 99 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 99 G C 0.731 175.614 174.900 -0.028 0.000 1.321 99 G CA -0.470 44.634 45.100 0.006 0.000 0.813 99 G HN 0.285 nan 8.290 nan 0.000 0.599 100 S N -0.041 115.613 115.700 -0.076 0.000 2.447 100 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 100 S C 2.213 176.800 174.600 -0.022 0.000 1.006 100 S CA 1.923 60.066 58.200 -0.096 0.000 0.957 100 S CB -0.085 63.015 63.200 -0.166 0.000 0.773 100 S HN 0.849 nan 8.310 nan 0.000 0.507 101 Q N 2.128 121.935 119.800 0.011 0.000 2.077 101 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 101 Q C 2.057 178.054 176.000 -0.005 0.000 0.989 101 Q CA 1.884 57.699 55.803 0.021 0.000 0.853 101 Q CB -0.479 28.272 28.738 0.022 0.000 0.907 101 Q HN 0.644 nan 8.270 nan 0.000 0.418 102 Q N -1.376 118.425 119.800 0.002 0.000 2.224 102 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 102 Q C 1.707 177.720 176.000 0.022 0.000 0.970 102 Q CA 1.062 56.871 55.803 0.010 0.000 0.865 102 Q CB -0.174 28.574 28.738 0.015 0.000 0.922 102 Q HN 0.496 nan 8.270 nan 0.000 0.445 103 A N 0.507 123.336 122.820 0.014 0.000 1.930 103 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 103 A C 1.929 179.544 177.584 0.051 0.000 1.175 103 A CA 0.802 52.853 52.037 0.025 0.000 0.627 103 A CB -0.426 18.567 19.000 -0.011 0.000 0.815 103 A HN 0.422 nan 8.150 nan 0.000 0.443 104 L N -0.809 120.437 121.223 0.038 0.000 2.217 104 L HA -0.124 4.215 4.340 -0.000 0.000 0.211 104 L C 2.213 179.161 176.870 0.130 0.000 1.107 104 L CA 1.509 56.388 54.840 0.065 0.000 0.783 104 L CB -0.344 41.642 42.059 -0.121 0.000 0.919 104 L HN 0.431 nan 8.230 nan 0.000 0.442 105 D N -0.118 120.320 120.400 0.064 0.000 2.162 105 D HA -0.112 4.528 4.640 -0.000 0.000 0.203 105 D C 2.243 178.607 176.300 0.106 0.000 0.967 105 D CA 0.860 54.907 54.000 0.078 0.000 0.840 105 D CB 0.196 41.011 40.800 0.026 0.000 0.972 105 D HN 0.153 nan 8.370 nan 0.000 0.482 106 L N -0.246 121.030 121.223 0.089 0.000 1.988 106 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 106 L C 2.528 179.467 176.870 0.115 0.000 1.071 106 L CA 0.658 55.544 54.840 0.077 0.000 0.744 106 L CB -0.695 41.401 42.059 0.062 0.000 0.893 106 L HN -0.027 nan 8.230 nan 0.000 0.433 107 V N 0.672 120.682 119.914 0.160 0.000 2.660 107 V HA -0.257 3.863 4.120 -0.000 0.000 0.257 107 V C 2.427 178.709 176.094 0.314 0.000 1.088 107 V CA 1.932 64.379 62.300 0.245 0.000 1.106 107 V CB -1.241 30.625 31.823 0.072 0.000 0.686 107 V HN 0.633 nan 8.190 nan 0.000 0.481 108 G N -0.570 108.412 108.800 0.304 0.000 2.494 108 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 108 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 108 G C 1.624 176.646 174.900 0.204 0.000 1.140 108 G CA 0.310 45.615 45.100 0.342 0.000 0.801 108 G HN 0.503 nan 8.290 nan 0.000 0.536 109 K N 0.094 120.569 120.400 0.125 0.000 2.044 109 K HA 0.108 4.428 4.320 -0.000 0.000 0.204 109 K C 2.447 179.039 176.600 -0.014 0.000 1.049 109 K CA 0.874 57.190 56.287 0.050 0.000 0.945 109 K CB -0.368 32.148 32.500 0.026 0.000 0.724 109 K HN 0.145 nan 8.250 nan 0.000 0.440 110 V N 0.551 120.415 119.914 -0.082 0.000 2.515 110 V HA -0.156 3.964 4.120 -0.000 0.000 0.250 110 V C 1.164 176.975 176.094 -0.471 0.000 1.058 110 V CA 1.676 63.780 62.300 -0.326 0.000 1.064 110 V CB -0.244 31.267 31.823 -0.519 0.000 0.675 110 V HN 0.194 nan 8.190 nan 0.000 0.461 111 F N -0.397 119.594 119.950 0.068 0.000 2.717 111 F HA 0.452 4.979 4.527 -0.001 0.000 0.297 111 F C 0.847 176.698 175.800 0.084 0.000 1.113 111 F CA -0.220 57.848 58.000 0.113 0.000 1.319 111 F CB 0.238 39.386 39.000 0.247 0.000 1.097 111 F HN 0.001 nan 8.300 nan 0.000 0.595 112 L N 0.314 121.657 121.223 0.200 0.000 2.334 112 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 112 L C -0.757 176.122 176.870 0.015 0.000 1.018 112 L CA -0.754 54.124 54.840 0.062 0.000 0.811 112 L CB 1.435 43.505 42.059 0.019 0.000 1.271 112 L HN -0.126 nan 8.230 nan 0.000 0.443 113 D N -0.367 120.018 120.400 -0.026 0.000 2.579 113 D HA 0.117 4.757 4.640 -0.000 0.000 0.257 113 D C -1.020 175.252 176.300 -0.047 0.000 1.176 113 D CA -0.541 53.444 54.000 -0.026 0.000 0.914 113 D CB 2.155 42.942 40.800 -0.022 0.000 1.431 113 D HN 0.471 nan 8.370 nan 0.000 0.454 114 E N 0.122 120.301 120.200 -0.034 0.000 2.341 114 E HA 0.297 4.646 4.350 -0.000 0.000 0.256 114 E C 0.728 177.300 176.600 -0.048 0.000 1.125 114 E CA 0.635 57.013 56.400 -0.038 0.000 0.939 114 E CB -0.389 29.300 29.700 -0.019 0.000 0.991 114 E HN 0.677 nan 8.360 nan 0.000 0.458 115 G N 3.226 111.983 108.800 -0.072 0.000 2.253 115 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.209 115 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.209 115 G C 0.246 175.088 174.900 -0.097 0.000 0.997 115 G CA -0.027 45.030 45.100 -0.071 0.000 0.640 115 G HN 0.582 nan 8.290 nan 0.000 0.496 116 S N 3.386 119.018 115.700 -0.113 0.000 2.563 116 S HA 0.435 4.904 4.470 -0.000 0.000 0.284 116 S C -1.938 172.540 174.600 -0.203 0.000 1.331 116 S CA 0.266 58.385 58.200 -0.136 0.000 1.047 116 S CB 1.271 64.390 63.200 -0.134 0.000 0.859 116 S HN 0.486 nan 8.310 nan 0.000 0.514 117 P HA 0.375 nan 4.420 nan 0.000 0.296 117 P C -1.039 176.061 177.300 -0.333 0.000 1.306 117 P CA -0.553 62.416 63.100 -0.218 0.000 0.818 117 P CB 1.087 32.706 31.700 -0.135 0.000 0.969 118 V N 2.046 121.726 119.914 -0.391 0.000 2.769 118 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 118 V C -0.419 175.539 176.094 -0.227 0.000 1.061 118 V CA -1.197 60.782 62.300 -0.536 0.000 0.931 118 V CB 2.190 33.597 31.823 -0.693 0.000 1.010 118 V HN 0.457 nan 8.190 nan 0.000 0.433 119 L N 5.391 126.502 121.223 -0.187 0.000 2.343 119 L HA 0.825 5.165 4.340 -0.000 0.000 0.278 119 L C -0.921 176.034 176.870 0.142 0.000 0.996 119 L CA -0.450 54.396 54.840 0.010 0.000 0.831 119 L CB 1.195 43.250 42.059 -0.006 0.000 1.232 119 L HN 0.928 nan 8.230 nan 0.000 0.413 120 L N 0.925 122.274 121.223 0.211 0.000 2.479 120 L HA 0.666 5.005 4.340 -0.000 0.000 0.255 120 L C -0.919 176.049 176.870 0.164 0.000 1.026 120 L CA -0.970 54.036 54.840 0.276 0.000 0.842 120 L CB 2.043 44.392 42.059 0.483 0.000 1.444 120 L HN 0.496 nan 8.230 nan 0.000 0.409 121 E N 0.662 120.929 120.200 0.112 0.000 2.410 121 E HA 0.568 4.918 4.350 -0.000 0.000 0.255 121 E C -0.454 176.144 176.600 -0.003 0.000 1.194 121 E CA -0.106 56.313 56.400 0.032 0.000 0.955 121 E CB 1.003 30.683 29.700 -0.033 0.000 0.988 121 E HN 0.728 nan 8.360 nan 0.000 0.461 122 A N 2.459 125.264 122.820 -0.025 0.000 2.499 122 A HA 0.401 4.721 4.320 -0.000 0.000 0.280 122 A C -2.511 175.021 177.584 -0.086 0.000 1.135 122 A CA -1.358 50.650 52.037 -0.048 0.000 0.744 122 A CB 0.794 19.919 19.000 0.208 0.000 1.213 122 A HN 0.330 nan 8.150 nan 0.000 0.434 123 P HA 0.576 nan 4.420 nan 0.000 0.278 123 P C -0.017 176.996 177.300 -0.479 0.000 1.266 123 P CA -0.130 62.413 63.100 -0.929 0.000 0.807 123 P CB 1.943 32.815 31.700 -1.380 0.000 1.094 124 S N -1.105 114.407 115.700 -0.314 0.000 2.790 124 S HA 0.313 4.783 4.470 -0.000 0.000 0.292 124 S C -1.551 173.115 174.600 0.110 0.000 1.197 124 S CA -0.543 57.613 58.200 -0.073 0.000 0.851 124 S CB 0.014 63.262 63.200 0.080 0.000 1.217 124 S HN 0.354 nan 8.310 nan 0.000 0.526 125 Y N 2.875 123.226 120.300 0.084 0.000 2.605 125 Y HA 0.206 4.756 4.550 -0.000 0.000 0.336 125 Y C 1.552 177.446 175.900 -0.011 0.000 1.111 125 Y CA 0.362 58.521 58.100 0.099 0.000 1.422 125 Y CB -0.161 38.398 38.460 0.165 0.000 1.193 125 Y HN 0.689 nan 8.280 nan 0.000 0.526 126 M N 4.154 123.588 119.600 -0.276 0.000 2.108 126 M HA -0.259 4.221 4.480 -0.000 0.000 0.257 126 M C 2.192 178.036 176.300 -0.760 0.000 1.071 126 M CA 2.146 57.134 55.300 -0.519 0.000 1.093 126 M CB -0.592 31.710 32.600 -0.496 0.000 1.345 126 M HN 0.924 nan 8.290 nan 0.000 0.403 127 G N -0.400 107.529 108.800 -1.452 0.000 2.418 127 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 127 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 127 G C 1.601 176.003 174.900 -0.830 0.000 1.158 127 G CA 0.984 45.383 45.100 -1.167 0.000 0.771 127 G HN 0.562 nan 8.290 nan 0.000 0.545 128 A N 0.822 123.122 122.820 -0.866 0.000 1.873 128 A HA 0.062 4.382 4.320 -0.000 0.000 0.215 128 A C 2.390 179.353 177.584 -1.036 0.000 1.186 128 A CA 1.252 52.655 52.037 -1.057 0.000 0.616 128 A CB -0.388 17.930 19.000 -1.137 0.000 0.823 128 A HN 0.357 nan 8.150 nan 0.000 0.442 129 I N -0.568 119.662 120.570 -0.567 0.000 2.052 129 I HA -0.382 3.788 4.170 -0.000 0.000 0.235 129 I C 2.859 178.846 176.117 -0.216 0.000 1.046 129 I CA 2.156 63.258 61.300 -0.330 0.000 1.308 129 I CB -0.618 37.152 38.000 -0.382 0.000 1.031 129 I HN 0.561 nan 8.210 nan 0.000 0.395 130 Q N 0.891 120.515 119.800 -0.292 0.000 2.197 130 Q HA -0.294 4.046 4.340 -0.000 0.000 0.211 130 Q C 2.145 178.056 176.000 -0.147 0.000 0.993 130 Q CA 2.427 58.108 55.803 -0.203 0.000 0.883 130 Q CB -0.125 28.460 28.738 -0.255 0.000 0.916 130 Q HN 0.598 nan 8.270 nan 0.000 0.418 131 A N -0.347 122.320 122.820 -0.255 0.000 1.930 131 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 131 A C 1.567 179.189 177.584 0.064 0.000 1.176 131 A CA 0.857 52.798 52.037 -0.161 0.000 0.632 131 A CB -0.494 18.340 19.000 -0.276 0.000 0.819 131 A HN 0.449 nan 8.150 nan 0.000 0.445 132 F N -0.048 119.951 119.950 0.083 0.000 2.259 132 F HA 0.061 4.588 4.527 0.000 0.000 0.298 132 F C 2.214 178.076 175.800 0.102 0.000 1.088 132 F CA 0.799 58.875 58.000 0.127 0.000 1.358 132 F CB -0.776 38.352 39.000 0.214 0.000 1.040 132 F HN 0.255 nan 8.300 nan 0.000 0.505 133 R N 0.804 121.538 120.500 0.389 0.000 2.241 133 R HA -0.097 4.243 4.340 -0.000 0.000 0.224 133 R C 1.995 178.369 176.300 0.123 0.000 1.101 133 R CA 0.482 56.753 56.100 0.285 0.000 0.995 133 R CB -0.319 30.154 30.300 0.289 0.000 0.870 133 R HN 0.266 nan 8.270 nan 0.000 0.463 134 L N 0.704 121.984 121.223 0.096 0.000 2.551 134 L HA -0.042 4.298 4.340 -0.000 0.000 0.228 134 L C 0.572 177.468 176.870 0.044 0.000 1.153 134 L CA 1.440 56.309 54.840 0.048 0.000 0.851 134 L CB -0.079 41.999 42.059 0.031 0.000 0.959 134 L HN 0.353 nan 8.230 nan 0.000 0.451 135 Q N -0.323 119.508 119.800 0.053 0.000 2.319 135 Q HA 0.193 4.533 4.340 -0.000 0.000 0.209 135 Q C 1.111 177.101 176.000 -0.016 0.000 0.884 135 Q CA 0.686 56.503 55.803 0.022 0.000 0.938 135 Q CB 0.457 29.215 28.738 0.033 0.000 1.098 135 Q HN 0.526 nan 8.270 nan 0.000 0.517 136 G N 3.365 112.154 108.800 -0.018 0.000 2.295 136 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.287 136 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.287 136 G C -2.292 172.540 174.900 -0.113 0.000 1.055 136 G CA 0.181 45.258 45.100 -0.039 0.000 0.922 136 G HN 0.235 nan 8.290 nan 0.000 0.503 137 P HA 0.421 nan 4.420 nan 0.000 0.293 137 P C -0.206 176.866 177.300 -0.379 0.000 1.304 137 P CA -0.613 62.286 63.100 -0.334 0.000 0.767 137 P CB 1.031 32.438 31.700 -0.488 0.000 1.247 138 R N -0.326 119.970 120.500 -0.340 0.000 2.265 138 R HA 0.441 4.781 4.340 -0.000 0.000 0.328 138 R C -0.598 175.555 176.300 -0.245 0.000 0.969 138 R CA -0.488 55.489 56.100 -0.205 0.000 0.832 138 R CB 0.340 30.579 30.300 -0.103 0.000 1.139 138 R HN 0.386 nan 8.270 nan 0.000 0.457 139 F N 3.923 123.864 119.950 -0.014 0.000 2.445 139 F HA 0.222 4.749 4.527 -0.000 0.000 0.359 139 F C 0.414 176.215 175.800 0.001 0.000 1.101 139 F CA -0.413 57.584 58.000 -0.005 0.000 1.177 139 F CB 0.703 39.723 39.000 0.033 0.000 1.110 139 F HN 0.199 nan 8.300 nan 0.000 0.522 140 L N 4.468 125.788 121.223 0.161 0.000 2.277 140 L HA 0.373 4.713 4.340 -0.000 0.000 0.284 140 L C 0.242 177.186 176.870 0.122 0.000 1.028 140 L CA -0.584 54.315 54.840 0.098 0.000 0.835 140 L CB 1.006 43.083 42.059 0.030 0.000 1.215 140 L HN 0.644 nan 8.230 nan 0.000 0.425 141 T N 0.516 115.142 114.554 0.120 0.000 2.943 141 T HA 0.704 5.054 4.350 -0.000 0.000 0.284 141 T C -0.471 174.280 174.700 0.084 0.000 1.015 141 T CA -0.754 61.413 62.100 0.111 0.000 1.042 141 T CB 2.536 71.478 68.868 0.124 0.000 1.055 141 T HN 0.256 nan 8.240 nan 0.000 0.500 142 V N 1.890 121.848 119.914 0.074 0.000 2.925 142 V HA 0.637 4.757 4.120 -0.000 0.000 0.311 142 V C -2.883 173.245 176.094 0.056 0.000 1.104 142 V CA -2.555 59.779 62.300 0.056 0.000 0.954 142 V CB 2.214 34.060 31.823 0.038 0.000 1.022 142 V HN 0.870 nan 8.190 nan 0.000 0.427 143 P HA 0.345 nan 4.420 nan 0.000 0.266 143 P C -1.203 176.112 177.300 0.026 0.000 1.195 143 P CA 0.240 63.377 63.100 0.061 0.000 0.768 143 P CB 0.613 32.348 31.700 0.059 0.000 0.838 144 A N 2.571 125.398 122.820 0.013 0.000 2.318 144 A HA 0.746 5.066 4.320 -0.000 0.000 0.317 144 A C 0.195 177.764 177.584 -0.024 0.000 1.159 144 A CA -0.201 51.811 52.037 -0.041 0.000 0.799 144 A CB 1.113 20.039 19.000 -0.124 0.000 1.194 144 A HN 0.581 nan 8.150 nan 0.000 0.479 145 G N -0.013 108.774 108.800 -0.023 0.000 3.211 145 G HA2 0.478 4.438 3.960 -0.000 0.000 0.262 145 G HA3 0.478 4.438 3.960 -0.000 0.000 0.262 145 G C 0.178 175.073 174.900 -0.008 0.000 1.352 145 G CA -0.221 44.880 45.100 0.003 0.000 1.004 145 G HN 0.573 nan 8.290 nan 0.000 0.559 146 E N -0.689 119.520 120.200 0.015 0.000 2.478 146 E HA 0.034 4.384 4.350 -0.000 0.000 0.198 146 E C 1.657 178.258 176.600 0.001 0.000 1.046 146 E CA 0.705 57.118 56.400 0.021 0.000 0.870 146 E CB 0.285 30.009 29.700 0.040 0.000 0.818 146 E HN 0.387 nan 8.360 nan 0.000 0.527 147 E N -0.910 119.284 120.200 -0.011 0.000 2.460 147 E HA 0.208 4.558 4.350 -0.000 0.000 0.200 147 E C 0.864 177.438 176.600 -0.043 0.000 1.011 147 E CA 0.578 56.965 56.400 -0.023 0.000 0.912 147 E CB 0.941 30.633 29.700 -0.014 0.000 0.953 147 E HN 0.250 nan 8.360 nan 0.000 0.494 148 G N 1.381 110.151 108.800 -0.049 0.000 2.408 148 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.204 148 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.204 148 G C -2.696 172.171 174.900 -0.054 0.000 1.186 148 G CA -0.848 44.211 45.100 -0.069 0.000 1.139 148 G HN -0.010 nan 8.290 nan 0.000 0.563 149 P HA 0.308 nan 4.420 nan 0.000 0.275 149 P C -0.925 176.363 177.300 -0.020 0.000 1.228 149 P CA -0.172 62.907 63.100 -0.034 0.000 0.786 149 P CB 0.760 32.439 31.700 -0.034 0.000 0.927 150 D N 3.142 123.538 120.400 -0.006 0.000 2.383 150 D HA 0.030 4.670 4.640 -0.000 0.000 0.245 150 D C 1.113 177.412 176.300 -0.002 0.000 1.263 150 D CA 0.179 54.179 54.000 0.000 0.000 0.936 150 D CB 0.187 40.994 40.800 0.012 0.000 1.053 150 D HN 0.258 nan 8.370 nan 0.000 0.507 151 L N 2.657 123.875 121.223 -0.008 0.000 2.083 151 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 151 L C 1.780 178.646 176.870 -0.006 0.000 1.083 151 L CA 0.758 55.592 54.840 -0.010 0.000 0.752 151 L CB -0.217 41.832 42.059 -0.017 0.000 0.899 151 L HN 0.335 nan 8.230 nan 0.000 0.433 152 D N 0.642 121.039 120.400 -0.004 0.000 2.104 152 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 152 D C 2.212 178.513 176.300 0.002 0.000 0.994 152 D CA 1.714 55.712 54.000 -0.002 0.000 0.830 152 D CB 0.074 40.874 40.800 -0.001 0.000 0.959 152 D HN 0.339 nan 8.370 nan 0.000 0.452 153 A N 1.190 124.014 122.820 0.006 0.000 1.873 153 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 153 A C 2.194 179.784 177.584 0.011 0.000 1.186 153 A CA 1.031 53.075 52.037 0.011 0.000 0.616 153 A CB -0.782 18.229 19.000 0.018 0.000 0.823 153 A HN 0.235 nan 8.150 nan 0.000 0.442 154 L N 0.449 121.677 121.223 0.008 0.000 2.043 154 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 154 L C 2.179 179.050 176.870 0.002 0.000 1.075 154 L CA 2.824 57.668 54.840 0.007 0.000 0.752 154 L CB -0.831 41.229 42.059 0.003 0.000 0.891 154 L HN 0.632 nan 8.230 nan 0.000 0.432 155 E N -0.996 119.203 120.200 -0.002 0.000 2.110 155 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 155 E C 1.907 178.505 176.600 -0.003 0.000 0.988 155 E CA 1.220 57.617 56.400 -0.005 0.000 0.804 155 E CB 0.024 29.720 29.700 -0.008 0.000 0.745 155 E HN 0.538 nan 8.360 nan 0.000 0.458 156 E N 0.149 120.349 120.200 0.001 0.000 2.072 156 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 156 E C 2.271 178.872 176.600 0.003 0.000 0.985 156 E CA 0.757 57.158 56.400 0.002 0.000 0.801 156 E CB -0.196 29.507 29.700 0.005 0.000 0.750 156 E HN 0.187 nan 8.360 nan 0.000 0.452 157 V N 1.451 121.369 119.914 0.005 0.000 2.233 157 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 157 V C 2.404 178.498 176.094 -0.000 0.000 1.050 157 V CA 1.451 63.754 62.300 0.005 0.000 1.010 157 V CB -0.603 31.226 31.823 0.010 0.000 0.637 157 V HN 0.196 nan 8.190 nan 0.000 0.444 158 L N -0.212 121.010 121.223 -0.002 0.000 2.351 158 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 158 L C 2.274 179.141 176.870 -0.006 0.000 1.127 158 L CA 1.671 56.508 54.840 -0.005 0.000 0.786 158 L CB -1.146 40.909 42.059 -0.006 0.000 0.914 158 L HN 0.383 nan 8.230 nan 0.000 0.443 159 K N -1.061 119.336 120.400 -0.005 0.000 2.031 159 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 159 K C 1.937 178.535 176.600 -0.004 0.000 1.049 159 K CA 0.894 57.178 56.287 -0.005 0.000 0.939 159 K CB -0.002 32.496 32.500 -0.004 0.000 0.717 159 K HN -0.006 nan 8.250 nan 0.000 0.438 160 R N 0.779 121.277 120.500 -0.003 0.000 2.334 160 R HA 0.126 4.466 4.340 -0.000 0.000 0.216 160 R C -0.784 175.512 176.300 -0.007 0.000 0.905 160 R CA 0.272 56.370 56.100 -0.004 0.000 1.064 160 R CB 0.403 30.703 30.300 -0.002 0.000 1.046 160 R HN -0.011 nan 8.270 nan 0.000 0.508 161 E N -0.989 119.205 120.200 -0.009 0.000 2.392 161 E HA 0.353 4.703 4.350 -0.000 0.000 0.279 161 E C -1.649 174.940 176.600 -0.018 0.000 0.964 161 E CA -0.768 55.623 56.400 -0.016 0.000 0.777 161 E CB 1.135 30.824 29.700 -0.019 0.000 1.249 161 E HN 0.004 nan 8.360 nan 0.000 0.449 162 R N 3.418 123.904 120.500 -0.024 0.000 2.352 162 R HA 0.484 4.824 4.340 -0.000 0.000 0.304 162 R C -2.448 173.825 176.300 -0.045 0.000 1.104 162 R CA -1.932 54.154 56.100 -0.023 0.000 0.991 162 R CB 0.952 31.246 30.300 -0.011 0.000 1.140 162 R HN 0.302 nan 8.270 nan 0.000 0.540 163 P HA 0.066 nan 4.420 nan 0.000 0.268 163 P C 0.086 177.314 177.300 -0.120 0.000 1.205 163 P CA -0.386 62.641 63.100 -0.121 0.000 0.771 163 P CB 0.817 32.449 31.700 -0.114 0.000 0.858 164 R N 1.740 122.115 120.500 -0.208 0.000 2.152 164 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 164 R C 0.619 176.917 176.300 -0.004 0.000 1.117 164 R CA 1.184 57.226 56.100 -0.097 0.000 0.981 164 R CB -0.845 29.382 30.300 -0.123 0.000 0.870 164 R HN 0.697 nan 8.270 nan 0.000 0.451 165 F N -4.154 115.712 119.950 -0.141 0.000 2.829 165 F HA 0.375 4.902 4.527 -0.000 0.000 0.319 165 F C -1.962 173.777 175.800 -0.101 0.000 1.153 165 F CA -1.776 56.119 58.000 -0.174 0.000 0.912 165 F CB 0.375 39.166 39.000 -0.349 0.000 1.292 165 F HN -0.328 nan 8.300 nan 0.000 0.447 166 L N 3.035 124.440 121.223 0.302 0.000 2.296 166 L HA 0.459 4.799 4.340 -0.000 0.000 0.286 166 L C -1.022 176.078 176.870 0.384 0.000 1.023 166 L CA -0.659 54.323 54.840 0.236 0.000 0.812 166 L CB 1.198 43.328 42.059 0.119 0.000 1.223 166 L HN 0.677 nan 8.230 nan 0.000 0.421 167 Y N 4.924 125.402 120.300 0.296 0.000 2.341 167 Y HA 0.732 5.282 4.550 -0.000 0.000 0.340 167 Y C -1.113 174.899 175.900 0.188 0.000 0.997 167 Y CA -0.654 57.638 58.100 0.319 0.000 1.149 167 Y CB 0.647 39.433 38.460 0.543 0.000 1.171 167 Y HN 0.451 nan 8.280 nan 0.000 0.494 168 L N 6.830 127.747 121.223 -0.510 0.000 2.393 168 L HA 0.496 4.836 4.340 -0.000 0.000 0.260 168 L C -1.262 175.292 176.870 -0.526 0.000 1.002 168 L CA -1.155 53.411 54.840 -0.457 0.000 0.818 168 L CB 2.363 44.316 42.059 -0.176 0.000 1.369 168 L HN 0.440 nan 8.230 nan 0.000 0.412 169 I N 2.096 122.448 120.570 -0.362 0.000 2.833 169 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 169 I C -1.860 174.153 176.117 -0.173 0.000 1.287 169 I CA -1.358 59.800 61.300 -0.238 0.000 1.046 169 I CB 0.760 38.666 38.000 -0.156 0.000 1.612 169 I HN 0.287 nan 8.210 nan 0.000 0.585 170 P HA -0.130 nan 4.420 nan 0.000 0.218 170 P C -0.034 177.116 177.300 -0.250 0.000 1.152 170 P CA 1.409 64.413 63.100 -0.159 0.000 0.857 170 P CB 0.203 31.840 31.700 -0.106 0.000 0.787 171 S N -0.375 115.160 115.700 -0.275 0.000 2.520 171 S HA 0.404 4.874 4.470 -0.000 0.000 0.324 171 S C -0.640 173.665 174.600 -0.492 0.000 1.069 171 S CA -0.536 57.297 58.200 -0.612 0.000 1.121 171 S CB -0.438 62.474 63.200 -0.479 0.000 0.971 171 S HN 0.055 nan 8.310 nan 0.000 0.463 172 F N 0.440 120.345 119.950 -0.074 0.000 2.905 172 F HA -0.203 4.324 4.527 0.000 0.000 0.311 172 F C 0.677 176.371 175.800 -0.176 0.000 1.005 172 F CA 0.131 58.033 58.000 -0.164 0.000 1.029 172 F CB -2.292 36.548 39.000 -0.266 0.000 1.151 172 F HN 0.713 nan 8.300 nan 0.000 0.805 173 Q N 0.733 120.503 119.800 -0.050 0.000 2.428 173 Q HA 0.137 4.477 4.340 -0.000 0.000 0.276 173 Q C 0.211 176.157 176.000 -0.090 0.000 1.059 173 Q CA -0.122 55.644 55.803 -0.062 0.000 0.923 173 Q CB 0.694 29.354 28.738 -0.130 0.000 1.283 173 Q HN 0.364 nan 8.270 nan 0.000 0.447 174 N N 2.877 121.543 118.700 -0.056 0.000 2.426 174 N HA 0.257 4.996 4.740 -0.000 0.000 0.275 174 N C -2.089 173.229 175.510 -0.320 0.000 1.019 174 N CA -2.321 50.626 53.050 -0.172 0.000 0.941 174 N CB 1.492 39.998 38.487 0.032 0.000 1.123 174 N HN 0.532 nan 8.380 nan 0.000 0.486 175 P HA -0.000 nan 4.420 nan 0.000 0.226 175 P C 1.107 178.059 177.300 -0.581 0.000 1.160 175 P CA 0.846 63.410 63.100 -0.894 0.000 0.837 175 P CB 0.093 30.972 31.700 -1.367 0.000 0.860 176 T N -2.174 111.903 114.554 -0.795 0.000 2.680 176 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 176 T C 1.800 176.444 174.700 -0.094 0.000 1.033 176 T CA 2.294 64.094 62.100 -0.500 0.000 1.152 176 T CB -1.816 66.743 68.868 -0.515 0.000 0.859 176 T HN 0.296 nan 8.240 nan 0.000 0.452 177 G N 0.927 109.677 108.800 -0.083 0.000 2.157 177 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.248 177 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.248 177 G C 0.399 175.333 174.900 0.058 0.000 0.979 177 G CA 0.121 45.246 45.100 0.041 0.000 0.650 177 G HN 1.141 nan 8.290 nan 0.000 0.529 178 G N -0.655 108.129 108.800 -0.026 0.000 2.554 178 G HA2 0.479 4.439 3.960 -0.000 0.000 0.238 178 G HA3 0.479 4.439 3.960 -0.000 0.000 0.238 178 G C -0.030 174.809 174.900 -0.101 0.000 1.259 178 G CA -0.087 44.992 45.100 -0.035 0.000 0.843 178 G HN 0.952 nan 8.290 nan 0.000 0.582 179 L N 1.556 122.709 121.223 -0.116 0.000 2.342 179 L HA 0.343 4.683 4.340 -0.000 0.000 0.276 179 L C -0.025 176.742 176.870 -0.172 0.000 0.997 179 L CA -0.597 54.089 54.840 -0.256 0.000 0.838 179 L CB 1.544 43.458 42.059 -0.242 0.000 1.224 179 L HN 0.461 nan 8.230 nan 0.000 0.416 180 T N 6.678 121.121 114.554 -0.184 0.000 2.752 180 T HA 0.220 4.570 4.350 -0.000 0.000 0.295 180 T C -2.324 172.307 174.700 -0.114 0.000 0.923 180 T CA -0.739 61.287 62.100 -0.123 0.000 1.112 180 T CB 0.495 69.295 68.868 -0.112 0.000 0.884 180 T HN 0.450 nan 8.240 nan 0.000 0.525 181 P HA 0.081 nan 4.420 nan 0.000 0.271 181 P C 1.101 178.367 177.300 -0.057 0.000 1.218 181 P CA -0.604 62.459 63.100 -0.063 0.000 0.780 181 P CB 0.850 32.526 31.700 -0.041 0.000 0.901 182 L N 4.695 125.887 121.223 -0.052 0.000 2.064 182 L HA -0.176 4.164 4.340 -0.000 0.000 0.216 182 L C -0.892 175.953 176.870 -0.041 0.000 1.077 182 L CA 2.863 57.675 54.840 -0.046 0.000 0.766 182 L CB -2.368 39.667 42.059 -0.041 0.000 0.890 182 L HN 0.384 nan 8.230 nan 0.000 0.435 183 P HA -0.074 nan 4.420 nan 0.000 0.217 183 P C 1.444 178.723 177.300 -0.035 0.000 1.151 183 P CA 1.799 64.879 63.100 -0.032 0.000 0.828 183 P CB -0.153 31.531 31.700 -0.027 0.000 0.788 184 A N -0.281 122.517 122.820 -0.037 0.000 2.066 184 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 184 A C 2.142 179.700 177.584 -0.043 0.000 1.157 184 A CA 0.998 53.012 52.037 -0.038 0.000 0.670 184 A CB -0.767 18.210 19.000 -0.040 0.000 0.804 184 A HN 0.077 nan 8.150 nan 0.000 0.453 185 R N 0.011 120.484 120.500 -0.046 0.000 2.062 185 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 185 R C 2.030 178.303 176.300 -0.044 0.000 1.128 185 R CA 1.435 57.509 56.100 -0.044 0.000 0.960 185 R CB -0.329 29.944 30.300 -0.045 0.000 0.855 185 R HN 0.450 nan 8.270 nan 0.000 0.432 186 K N 0.656 121.029 120.400 -0.045 0.000 2.063 186 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 186 K C 2.247 178.814 176.600 -0.054 0.000 1.048 186 K CA 1.406 57.663 56.287 -0.050 0.000 0.928 186 K CB -0.175 32.298 32.500 -0.045 0.000 0.713 186 K HN 0.076 nan 8.250 nan 0.000 0.442 187 R N 1.083 121.555 120.500 -0.046 0.000 2.115 187 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 187 R C 2.169 178.439 176.300 -0.049 0.000 1.111 187 R CA 0.802 56.875 56.100 -0.045 0.000 0.976 187 R CB -0.102 30.176 30.300 -0.036 0.000 0.870 187 R HN 0.149 nan 8.270 nan 0.000 0.445 188 L N 1.101 122.296 121.223 -0.046 0.000 2.291 188 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 188 L C 1.729 178.565 176.870 -0.056 0.000 1.120 188 L CA 1.158 55.973 54.840 -0.043 0.000 0.799 188 L CB -0.458 41.580 42.059 -0.035 0.000 0.925 188 L HN 0.353 nan 8.230 nan 0.000 0.446 189 L N -0.209 120.972 121.223 -0.071 0.000 2.131 189 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 189 L C 2.525 179.296 176.870 -0.165 0.000 1.087 189 L CA 1.370 56.145 54.840 -0.108 0.000 0.767 189 L CB -0.553 41.448 42.059 -0.098 0.000 0.917 189 L HN 0.188 nan 8.230 nan 0.000 0.441 190 Q N -0.562 119.162 119.800 -0.126 0.000 2.084 190 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 190 Q C 2.203 178.128 176.000 -0.125 0.000 0.978 190 Q CA 2.072 57.797 55.803 -0.131 0.000 0.844 190 Q CB -0.434 28.251 28.738 -0.088 0.000 0.898 190 Q HN 0.576 nan 8.270 nan 0.000 0.426 191 M N -0.267 119.277 119.600 -0.092 0.000 2.159 191 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 191 M C 2.200 178.452 176.300 -0.079 0.000 1.063 191 M CA 1.132 56.390 55.300 -0.070 0.000 1.110 191 M CB -0.281 32.291 32.600 -0.046 0.000 1.374 191 M HN -0.028 nan 8.290 nan 0.000 0.411 192 V N -0.059 119.792 119.914 -0.105 0.000 2.407 192 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 192 V C 2.327 178.295 176.094 -0.209 0.000 1.041 192 V CA 1.371 63.616 62.300 -0.092 0.000 1.040 192 V CB -0.448 31.350 31.823 -0.042 0.000 0.671 192 V HN 0.466 nan 8.190 nan 0.000 0.455 193 M N -0.361 118.971 119.600 -0.447 0.000 2.117 193 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 193 M C 2.286 178.434 176.300 -0.253 0.000 1.065 193 M CA 1.731 56.622 55.300 -0.683 0.000 1.114 193 M CB -0.381 31.813 32.600 -0.675 0.000 1.361 193 M HN 0.246 nan 8.290 nan 0.000 0.408 194 E N 0.633 120.734 120.200 -0.165 0.000 2.160 194 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 194 E C 1.494 178.070 176.600 -0.040 0.000 0.991 194 E CA 1.437 57.788 56.400 -0.082 0.000 0.810 194 E CB 0.067 29.726 29.700 -0.069 0.000 0.742 194 E HN 0.371 nan 8.360 nan 0.000 0.466 195 R N -1.884 118.598 120.500 -0.031 0.000 2.397 195 R HA 0.276 4.615 4.340 -0.000 0.000 0.241 195 R C 0.926 177.252 176.300 0.044 0.000 0.914 195 R CA 0.468 56.570 56.100 0.004 0.000 1.071 195 R CB 0.694 30.995 30.300 0.001 0.000 1.116 195 R HN 0.161 nan 8.270 nan 0.000 0.524 196 G N 1.991 110.838 108.800 0.077 0.000 2.249 196 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.273 196 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.273 196 G C 0.047 175.068 174.900 0.202 0.000 1.036 196 G CA 0.085 45.306 45.100 0.202 0.000 0.824 196 G HN 0.153 nan 8.290 nan 0.000 0.504 197 L N -0.750 120.576 121.223 0.170 0.000 2.439 197 L HA 0.521 4.860 4.340 -0.000 0.000 0.261 197 L C 1.064 178.031 176.870 0.161 0.000 1.153 197 L CA -1.023 53.894 54.840 0.127 0.000 0.808 197 L CB 1.077 43.181 42.059 0.075 0.000 1.126 197 L HN -0.045 nan 8.230 nan 0.000 0.460 198 V N 2.292 122.256 119.914 0.083 0.000 2.509 198 V HA 0.328 4.448 4.120 -0.000 0.000 0.284 198 V C 0.057 176.178 176.094 0.044 0.000 1.047 198 V CA -0.487 61.819 62.300 0.011 0.000 0.952 198 V CB 1.775 33.504 31.823 -0.157 0.000 0.988 198 V HN 0.402 nan 8.190 nan 0.000 0.469 199 V N 4.968 124.901 119.914 0.032 0.000 2.540 199 V HA 0.424 4.544 4.120 -0.000 0.000 0.302 199 V C -0.343 175.749 176.094 -0.003 0.000 1.035 199 V CA -0.630 61.708 62.300 0.063 0.000 0.873 199 V CB 2.118 34.004 31.823 0.105 0.000 0.992 199 V HN 0.577 nan 8.190 nan 0.000 0.428 200 V N 4.185 124.100 119.914 0.001 0.000 2.311 200 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 200 V C 0.179 176.299 176.094 0.044 0.000 1.022 200 V CA -0.417 61.868 62.300 -0.025 0.000 0.830 200 V CB 1.263 33.029 31.823 -0.095 0.000 1.012 200 V HN 0.966 nan 8.190 nan 0.000 0.452 201 E N 4.058 124.267 120.200 0.015 0.000 2.081 201 E HA 0.168 4.518 4.350 -0.000 0.000 0.281 201 E C -0.732 175.765 176.600 -0.171 0.000 0.986 201 E CA -0.582 55.793 56.400 -0.042 0.000 0.796 201 E CB 0.807 30.566 29.700 0.098 0.000 1.085 201 E HN 0.640 nan 8.360 nan 0.000 0.398 202 D N 4.414 124.695 120.400 -0.198 0.000 2.411 202 D HA 0.066 4.706 4.640 -0.000 0.000 0.225 202 D C -0.814 175.328 176.300 -0.263 0.000 1.156 202 D CA -0.279 53.598 54.000 -0.206 0.000 0.874 202 D CB 0.982 41.749 40.800 -0.054 0.000 1.034 202 D HN 0.405 nan 8.370 nan 0.000 0.502 203 D N 2.448 122.609 120.400 -0.400 0.000 2.895 203 D HA 0.274 4.914 4.640 -0.000 0.000 0.258 203 D C 1.354 177.482 176.300 -0.285 0.000 1.311 203 D CA -0.251 53.581 54.000 -0.279 0.000 0.843 203 D CB 0.311 40.952 40.800 -0.265 0.000 1.055 203 D HN 0.412 nan 8.370 nan 0.000 0.486 204 A N -0.251 122.343 122.820 -0.377 0.000 1.978 204 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 204 A C 0.873 178.109 177.584 -0.580 0.000 1.170 204 A CA 1.151 52.856 52.037 -0.554 0.000 0.636 204 A CB -0.498 18.037 19.000 -0.775 0.000 0.810 204 A HN 0.426 nan 8.150 nan 0.000 0.448 205 Y N -0.849 119.440 120.300 -0.020 0.000 2.708 205 Y HA 0.257 4.807 4.550 -0.000 0.000 0.287 205 Y C 1.711 177.725 175.900 0.190 0.000 1.145 205 Y CA -0.309 57.824 58.100 0.055 0.000 1.249 205 Y CB -0.334 38.200 38.460 0.124 0.000 1.152 205 Y HN 0.343 nan 8.280 nan 0.000 0.532 206 R N 1.137 121.768 120.500 0.218 0.000 2.115 206 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 206 R C 0.838 177.392 176.300 0.423 0.000 1.133 206 R CA 2.120 58.397 56.100 0.296 0.000 0.935 206 R CB 0.062 30.507 30.300 0.242 0.000 0.853 206 R HN 0.228 nan 8.270 nan 0.000 0.433 207 E N 0.535 120.922 120.200 0.312 0.000 2.463 207 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 207 E C 0.123 176.624 176.600 -0.165 0.000 1.083 207 E CA 0.192 56.692 56.400 0.167 0.000 0.872 207 E CB 0.298 30.068 29.700 0.116 0.000 0.966 207 E HN 0.271 nan 8.360 nan 0.000 0.491 208 L N 1.501 122.682 121.223 -0.070 0.000 3.073 208 L HA 0.125 4.465 4.340 -0.000 0.000 0.242 208 L C -0.398 176.117 176.870 -0.591 0.000 1.317 208 L CA -0.461 54.189 54.840 -0.316 0.000 1.081 208 L CB -0.694 41.178 42.059 -0.311 0.000 1.456 208 L HN 0.014 nan 8.230 nan 0.000 0.525 209 Y N -3.860 116.325 120.300 -0.192 0.000 2.304 209 Y HA 0.421 4.971 4.550 0.000 0.000 0.328 209 Y C 0.724 176.613 175.900 -0.019 0.000 1.123 209 Y CA -1.077 56.890 58.100 -0.223 0.000 1.218 209 Y CB 0.215 38.800 38.460 0.209 0.000 1.207 209 Y HN -0.008 nan 8.280 nan 0.000 0.495 210 F N 1.641 121.611 119.950 0.034 0.000 2.664 210 F HA 0.249 4.777 4.527 0.000 0.000 0.296 210 F C 1.644 177.529 175.800 0.142 0.000 1.125 210 F CA -0.280 57.742 58.000 0.035 0.000 1.444 210 F CB -0.841 38.158 39.000 -0.003 0.000 1.114 210 F HN 0.793 nan 8.300 nan 0.000 0.576 211 G N -0.175 108.870 108.800 0.408 0.000 2.489 211 G HA2 0.060 4.020 3.960 -0.000 0.000 0.271 211 G HA3 0.060 4.020 3.960 -0.000 0.000 0.271 211 G C 0.972 176.053 174.900 0.302 0.000 1.427 211 G CA -0.233 45.045 45.100 0.296 0.000 1.057 211 G HN 0.205 nan 8.290 nan 0.000 0.532 212 E N -0.714 119.593 120.200 0.179 0.000 2.112 212 E HA 0.239 4.589 4.350 -0.000 0.000 0.190 212 E C 0.963 177.618 176.600 0.092 0.000 0.979 212 E CA 0.875 57.358 56.400 0.138 0.000 0.814 212 E CB 0.169 29.915 29.700 0.077 0.000 0.762 212 E HN 0.443 nan 8.360 nan 0.000 0.460 213 A N 0.763 123.537 122.820 -0.076 0.000 2.594 213 A HA 0.521 4.840 4.320 -0.000 0.000 0.291 213 A C -1.131 176.034 177.584 -0.699 0.000 1.105 213 A CA -0.921 50.911 52.037 -0.342 0.000 0.694 213 A CB 1.109 20.017 19.000 -0.152 0.000 1.291 213 A HN 0.144 nan 8.150 nan 0.000 0.410 214 R N 1.016 120.974 120.500 -0.902 0.000 2.349 214 R HA 0.684 5.024 4.340 -0.000 0.000 0.299 214 R C -0.971 175.186 176.300 -0.238 0.000 1.027 214 R CA -0.568 55.158 56.100 -0.623 0.000 0.958 214 R CB 0.425 30.474 30.300 -0.418 0.000 1.047 214 R HN 0.531 nan 8.270 nan 0.000 0.468 215 L N 3.083 124.218 121.223 -0.147 0.000 2.467 215 L HA 0.218 4.558 4.340 -0.000 0.000 0.270 215 L C -1.765 175.065 176.870 -0.068 0.000 1.205 215 L CA -1.934 52.848 54.840 -0.097 0.000 0.828 215 L CB 0.219 42.221 42.059 -0.095 0.000 1.101 215 L HN 0.451 nan 8.230 nan 0.000 0.479 216 P HA 0.023 nan 4.420 nan 0.000 0.268 216 P C -0.808 176.478 177.300 -0.024 0.000 1.205 216 P CA -0.229 62.849 63.100 -0.037 0.000 0.771 216 P CB 0.628 32.305 31.700 -0.038 0.000 0.858 217 S N 2.540 118.238 115.700 -0.005 0.000 2.601 217 S HA 0.139 4.608 4.470 -0.000 0.000 0.271 217 S C 1.134 175.765 174.600 0.051 0.000 1.305 217 S CA -0.597 57.626 58.200 0.038 0.000 1.022 217 S CB 0.377 63.611 63.200 0.056 0.000 0.940 217 S HN 0.226 nan 8.310 nan 0.000 0.525 218 L N 1.335 122.607 121.223 0.081 0.000 2.051 218 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 218 L C 1.968 178.902 176.870 0.108 0.000 1.076 218 L CA 1.729 56.614 54.840 0.076 0.000 0.758 218 L CB -1.400 40.713 42.059 0.089 0.000 0.890 218 L HN 0.894 nan 8.230 nan 0.000 0.433 219 F N 0.543 120.496 119.950 0.005 0.000 2.031 219 F HA -0.249 4.279 4.527 0.001 0.000 0.295 219 F C 2.432 178.184 175.800 -0.080 0.000 1.133 219 F CA 2.075 60.052 58.000 -0.038 0.000 1.188 219 F CB -0.416 38.484 39.000 -0.167 0.000 0.974 219 F HN 0.161 nan 8.300 nan 0.000 0.473 220 E N 0.090 120.272 120.200 -0.030 0.000 2.114 220 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 220 E C 2.195 178.705 176.600 -0.149 0.000 1.008 220 E CA 1.480 57.804 56.400 -0.127 0.000 0.810 220 E CB -0.331 29.346 29.700 -0.038 0.000 0.739 220 E HN 0.305 nan 8.360 nan 0.000 0.456 221 L N 0.096 121.265 121.223 -0.090 0.000 2.131 221 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 221 L C 2.306 179.120 176.870 -0.093 0.000 1.092 221 L CA 1.665 56.459 54.840 -0.077 0.000 0.759 221 L CB -1.372 40.656 42.059 -0.051 0.000 0.903 221 L HN 0.134 nan 8.230 nan 0.000 0.435 222 A N -0.461 122.291 122.820 -0.113 0.000 1.898 222 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 222 A C 2.510 180.009 177.584 -0.143 0.000 1.183 222 A CA 1.018 53.015 52.037 -0.068 0.000 0.622 222 A CB -0.434 18.578 19.000 0.020 0.000 0.824 222 A HN 0.309 nan 8.150 nan 0.000 0.444 223 R N 0.831 121.118 120.500 -0.355 0.000 2.083 223 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 223 R C 1.984 178.173 176.300 -0.185 0.000 1.137 223 R CA 2.052 57.931 56.100 -0.369 0.000 0.951 223 R CB -0.441 29.499 30.300 -0.600 0.000 0.851 223 R HN 0.742 nan 8.270 nan 0.000 0.434 224 E N -0.460 119.648 120.200 -0.152 0.000 2.516 224 E HA -0.054 4.296 4.350 -0.000 0.000 0.199 224 E C 1.066 177.627 176.600 -0.065 0.000 1.069 224 E CA 0.832 57.177 56.400 -0.091 0.000 0.876 224 E CB 0.162 29.816 29.700 -0.077 0.000 0.843 224 E HN 0.444 nan 8.360 nan 0.000 0.530 225 A N 0.828 123.611 122.820 -0.061 0.000 2.252 225 A HA 0.431 4.751 4.320 -0.000 0.000 0.213 225 A C 1.724 179.307 177.584 -0.002 0.000 1.188 225 A CA 0.402 52.419 52.037 -0.034 0.000 0.863 225 A CB 0.065 19.041 19.000 -0.040 0.000 0.893 225 A HN 0.503 nan 8.150 nan 0.000 0.495 226 G N -1.848 106.950 108.800 -0.004 0.000 2.142 226 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.225 226 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.225 226 G C -0.213 174.740 174.900 0.088 0.000 1.015 226 G CA 0.320 45.431 45.100 0.019 0.000 0.716 226 G HN 0.730 nan 8.290 nan 0.000 0.508 227 Y N 1.349 121.603 120.300 -0.076 0.000 2.341 227 Y HA 0.619 5.169 4.550 -0.001 0.000 0.337 227 Y C -1.451 174.419 175.900 -0.049 0.000 1.014 227 Y CA -2.007 56.060 58.100 -0.054 0.000 1.111 227 Y CB 2.161 40.584 38.460 -0.060 0.000 1.194 227 Y HN 0.011 nan 8.280 nan 0.000 0.462 228 P HA 0.184 nan 4.420 nan 0.000 0.267 228 P C 0.745 177.831 177.300 -0.357 0.000 1.289 228 P CA 0.400 63.341 63.100 -0.265 0.000 0.866 228 P CB 0.567 32.218 31.700 -0.082 0.000 1.309 229 G N 0.416 108.715 108.800 -0.834 0.000 3.061 229 G HA2 0.127 4.087 3.960 -0.000 0.000 0.208 229 G HA3 0.127 4.087 3.960 -0.000 0.000 0.208 229 G C 0.255 175.119 174.900 -0.060 0.000 1.175 229 G CA 0.089 44.914 45.100 -0.458 0.000 0.812 229 G HN 0.176 nan 8.290 nan 0.000 0.523 230 V N 2.738 122.678 119.914 0.043 0.000 2.334 230 V HA 0.294 4.414 4.120 -0.000 0.000 0.281 230 V C -0.350 175.895 176.094 0.251 0.000 1.016 230 V CA -1.133 61.276 62.300 0.181 0.000 0.832 230 V CB 1.502 33.493 31.823 0.280 0.000 0.999 230 V HN 0.055 nan 8.190 nan 0.000 0.439 231 I N 5.154 125.796 120.570 0.120 0.000 2.337 231 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 231 I C -0.359 175.827 176.117 0.115 0.000 1.046 231 I CA -0.402 60.958 61.300 0.100 0.000 1.324 231 I CB 0.359 38.346 38.000 -0.022 0.000 1.409 231 I HN 0.616 nan 8.210 nan 0.000 0.494 232 Y N 7.549 127.810 120.300 -0.065 0.000 2.335 232 Y HA 0.529 5.079 4.550 0.000 0.000 0.339 232 Y C -0.733 175.082 175.900 -0.140 0.000 0.987 232 Y CA -0.612 57.381 58.100 -0.179 0.000 1.140 232 Y CB 1.077 39.189 38.460 -0.580 0.000 1.173 232 Y HN 0.394 nan 8.280 nan 0.000 0.486 233 L N 6.927 127.755 121.223 -0.658 0.000 2.305 233 L HA 0.723 5.063 4.340 -0.000 0.000 0.284 233 L C 0.387 176.711 176.870 -0.910 0.000 1.013 233 L CA -0.766 53.732 54.840 -0.570 0.000 0.819 233 L CB 1.457 43.328 42.059 -0.314 0.000 1.227 233 L HN 0.830 nan 8.230 nan 0.000 0.417 234 G N 0.916 109.070 108.800 -1.077 0.000 2.600 234 G HA2 0.669 4.629 3.960 -0.000 0.000 0.303 234 G HA3 0.669 4.629 3.960 -0.000 0.000 0.303 234 G C -1.427 172.668 174.900 -1.342 0.000 1.253 234 G CA -0.417 43.879 45.100 -1.340 0.000 0.974 234 G HN 0.456 nan 8.290 nan 0.000 0.483 235 S N -1.342 113.798 115.700 -0.934 0.000 2.550 235 S HA 0.566 5.036 4.470 -0.000 0.000 0.270 235 S C -0.979 173.344 174.600 -0.462 0.000 1.145 235 S CA -0.579 57.239 58.200 -0.637 0.000 0.852 235 S CB 1.073 64.044 63.200 -0.382 0.000 1.119 235 S HN 0.371 nan 8.310 nan 0.000 0.465 236 F N 1.814 121.791 119.950 0.045 0.000 2.641 236 F HA 0.321 4.848 4.527 -0.000 0.000 0.302 236 F C 2.094 177.942 175.800 0.080 0.000 1.098 236 F CA -0.105 57.984 58.000 0.147 0.000 1.318 236 F CB 0.311 39.416 39.000 0.176 0.000 1.035 236 F HN 0.482 nan 8.300 nan 0.000 0.551 237 S N -0.253 115.514 115.700 0.111 0.000 2.428 237 S HA -0.092 4.378 4.470 -0.000 0.000 0.230 237 S C 1.893 176.552 174.600 0.097 0.000 1.014 237 S CA 1.028 59.277 58.200 0.081 0.000 0.957 237 S CB 0.010 63.216 63.200 0.010 0.000 0.784 237 S HN 0.150 nan 8.310 nan 0.000 0.499 238 K N 0.678 121.103 120.400 0.042 0.000 2.354 238 K HA 0.187 4.507 4.320 -0.000 0.000 0.194 238 K C 1.364 178.038 176.600 0.124 0.000 1.038 238 K CA 0.200 56.511 56.287 0.039 0.000 1.052 238 K CB 0.604 33.018 32.500 -0.143 0.000 0.861 238 K HN 0.353 nan 8.250 nan 0.000 0.535 239 V N -2.917 117.114 119.914 0.196 0.000 3.556 239 V HA 0.333 4.452 4.120 -0.000 0.000 0.287 239 V C 1.033 177.311 176.094 0.306 0.000 1.422 239 V CA 0.081 62.530 62.300 0.249 0.000 1.038 239 V CB 0.103 32.100 31.823 0.291 0.000 0.850 239 V HN 0.112 nan 8.190 nan 0.000 0.437 240 L N -0.476 120.933 121.223 0.309 0.000 3.358 240 L HA 0.573 4.913 4.340 -0.000 0.000 0.169 240 L C 0.181 177.166 176.870 0.192 0.000 1.158 240 L CA 0.967 55.959 54.840 0.252 0.000 0.861 240 L CB 1.179 43.368 42.059 0.216 0.000 1.597 240 L HN 0.370 nan 8.230 nan 0.000 0.580 241 S N 0.415 116.162 115.700 0.077 0.000 2.614 241 S HA 0.453 4.923 4.470 -0.000 0.000 0.275 241 S C -2.309 172.253 174.600 -0.063 0.000 1.161 241 S CA -1.013 57.081 58.200 -0.178 0.000 0.969 241 S CB 1.871 64.867 63.200 -0.341 0.000 1.059 241 S HN 0.170 nan 8.310 nan 0.000 0.482 242 P HA 0.149 nan 4.420 nan 0.000 0.224 242 P C 1.317 178.610 177.300 -0.010 0.000 1.157 242 P CA 0.805 63.925 63.100 0.032 0.000 0.799 242 P CB -0.183 31.585 31.700 0.114 0.000 0.809 243 G N 0.096 108.844 108.800 -0.087 0.000 2.848 243 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.208 243 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.208 243 G C 1.498 176.361 174.900 -0.062 0.000 1.152 243 G CA -0.015 45.044 45.100 -0.068 0.000 0.789 243 G HN 0.209 nan 8.290 nan 0.000 0.531 244 L N -0.770 120.415 121.223 -0.064 0.000 2.270 244 L HA 0.135 4.475 4.340 -0.000 0.000 0.210 244 L C 0.766 177.636 176.870 -0.000 0.000 1.104 244 L CA -0.124 54.691 54.840 -0.041 0.000 0.804 244 L CB -0.037 41.996 42.059 -0.044 0.000 0.937 244 L HN 0.106 nan 8.230 nan 0.000 0.450 245 R N -0.021 120.491 120.500 0.020 0.000 3.076 245 R HA -0.101 4.239 4.340 -0.000 0.000 0.261 245 R C -1.303 175.040 176.300 0.072 0.000 0.930 245 R CA 0.157 56.280 56.100 0.038 0.000 0.649 245 R CB -2.658 27.654 30.300 0.020 0.000 1.350 245 R HN 0.081 nan 8.270 nan 0.000 0.453 246 V N 0.319 120.310 119.914 0.128 0.000 2.498 246 V HA 0.766 4.886 4.120 -0.000 0.000 0.283 246 V C 0.423 176.718 176.094 0.334 0.000 1.015 246 V CA -0.046 62.386 62.300 0.221 0.000 0.867 246 V CB 1.707 33.662 31.823 0.220 0.000 1.025 246 V HN 0.677 nan 8.190 nan 0.000 0.441 247 A N 4.752 127.685 122.820 0.188 0.000 3.509 247 A HA 1.160 5.480 4.320 -0.000 0.000 0.188 247 A C -0.974 176.675 177.584 0.109 0.000 1.116 247 A CA -0.536 51.481 52.037 -0.033 0.000 0.859 247 A CB 1.825 20.709 19.000 -0.193 0.000 1.471 247 A HN 1.505 nan 8.150 nan 0.000 0.606 248 F N -4.156 115.794 119.950 -0.001 0.000 2.769 248 F HA 0.749 5.276 4.527 0.000 0.000 0.313 248 F C -0.726 175.038 175.800 -0.062 0.000 1.146 248 F CA -0.839 57.167 58.000 0.010 0.000 0.934 248 F CB 0.770 39.806 39.000 0.060 0.000 1.283 248 F HN 1.125 nan 8.300 nan 0.000 0.443 249 A N 1.292 124.288 122.820 0.293 0.000 2.401 249 A HA 0.906 5.226 4.320 -0.000 0.000 0.310 249 A C -1.866 175.815 177.584 0.161 0.000 1.075 249 A CA -0.977 51.156 52.037 0.160 0.000 0.746 249 A CB 1.885 20.933 19.000 0.080 0.000 1.277 249 A HN 1.188 nan 8.150 nan 0.000 0.425 250 V N 0.542 120.516 119.914 0.099 0.000 2.531 250 V HA 0.864 4.984 4.120 -0.000 0.000 0.301 250 V C 0.169 176.311 176.094 0.080 0.000 1.034 250 V CA 0.116 62.430 62.300 0.023 0.000 0.865 250 V CB 1.092 32.810 31.823 -0.174 0.000 0.995 250 V HN 1.700 nan 8.190 nan 0.000 0.424 251 A N 2.261 125.156 122.820 0.125 0.000 2.610 251 A HA 0.643 4.963 4.320 -0.000 0.000 0.291 251 A C -0.839 176.854 177.584 0.182 0.000 1.086 251 A CA -0.655 51.493 52.037 0.186 0.000 0.677 251 A CB 1.228 20.327 19.000 0.165 0.000 1.278 251 A HN 0.953 nan 8.150 nan 0.000 0.414 252 H N 1.218 120.343 119.070 0.091 0.000 3.064 252 H HA 0.059 4.614 4.556 -0.001 0.000 0.329 252 H C -1.693 173.661 175.328 0.044 0.000 1.020 252 H CA -0.233 55.844 56.048 0.048 0.000 1.402 252 H CB 0.955 30.722 29.762 0.008 0.000 1.379 252 H HN 0.248 nan 8.280 nan 0.000 0.594 253 P HA -0.205 nan 4.420 nan 0.000 0.218 253 P C 1.255 178.677 177.300 0.203 0.000 1.150 253 P CA 1.969 65.108 63.100 0.065 0.000 0.841 253 P CB 0.163 31.812 31.700 -0.086 0.000 0.784 254 E N -1.146 119.305 120.200 0.417 0.000 2.152 254 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 254 E C 1.904 178.565 176.600 0.101 0.000 0.983 254 E CA 0.922 57.426 56.400 0.173 0.000 0.818 254 E CB -0.290 29.441 29.700 0.053 0.000 0.758 254 E HN 0.130 nan 8.360 nan 0.000 0.467 255 A N 0.498 123.403 122.820 0.142 0.000 1.935 255 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 255 A C 1.972 179.619 177.584 0.104 0.000 1.178 255 A CA 0.363 52.476 52.037 0.126 0.000 0.640 255 A CB -0.309 18.823 19.000 0.219 0.000 0.825 255 A HN 0.296 nan 8.150 nan 0.000 0.447 256 L N -0.429 120.863 121.223 0.114 0.000 2.083 256 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 256 L C 2.451 179.354 176.870 0.054 0.000 1.083 256 L CA 1.793 56.683 54.840 0.085 0.000 0.752 256 L CB -0.613 41.492 42.059 0.077 0.000 0.899 256 L HN 0.350 nan 8.230 nan 0.000 0.433 257 Q N -0.039 119.790 119.800 0.048 0.000 2.014 257 Q HA -0.245 4.095 4.340 -0.000 0.000 0.207 257 Q C 2.168 178.172 176.000 0.007 0.000 0.993 257 Q CA 1.806 57.624 55.803 0.025 0.000 0.850 257 Q CB -0.297 28.455 28.738 0.024 0.000 0.916 257 Q HN 0.454 nan 8.270 nan 0.000 0.417 258 K N 0.559 120.951 120.400 -0.012 0.000 2.103 258 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 258 K C 2.297 178.875 176.600 -0.037 0.000 1.048 258 K CA 0.838 57.096 56.287 -0.049 0.000 0.930 258 K CB -0.543 31.887 32.500 -0.117 0.000 0.716 258 K HN 0.272 nan 8.250 nan 0.000 0.444 259 L N 0.499 121.719 121.223 -0.005 0.000 2.072 259 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 259 L C 2.450 179.335 176.870 0.026 0.000 1.079 259 L CA 0.574 55.427 54.840 0.021 0.000 0.752 259 L CB -0.547 41.548 42.059 0.060 0.000 0.906 259 L HN -0.137 nan 8.230 nan 0.000 0.436 260 V N -0.280 119.651 119.914 0.028 0.000 2.295 260 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 260 V C 2.468 178.573 176.094 0.019 0.000 1.049 260 V CA 1.760 64.078 62.300 0.030 0.000 1.024 260 V CB -0.576 31.264 31.823 0.028 0.000 0.648 260 V HN 0.489 nan 8.190 nan 0.000 0.447 261 Q N -0.193 119.610 119.800 0.006 0.000 2.084 261 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 261 Q C 2.409 178.407 176.000 -0.004 0.000 0.978 261 Q CA 1.813 57.614 55.803 -0.003 0.000 0.844 261 Q CB -0.438 28.292 28.738 -0.013 0.000 0.898 261 Q HN 0.674 nan 8.270 nan 0.000 0.426 262 A N 1.218 124.034 122.820 -0.006 0.000 1.972 262 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 262 A C 2.043 179.632 177.584 0.008 0.000 1.169 262 A CA 1.193 53.228 52.037 -0.004 0.000 0.635 262 A CB -0.329 18.667 19.000 -0.007 0.000 0.810 262 A HN 0.078 nan 8.150 nan 0.000 0.446 263 K N -0.324 120.087 120.400 0.017 0.000 2.057 263 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 263 K C 2.248 178.860 176.600 0.021 0.000 1.050 263 K CA 1.878 58.181 56.287 0.026 0.000 0.935 263 K CB -0.211 32.314 32.500 0.042 0.000 0.715 263 K HN 0.548 nan 8.250 nan 0.000 0.439 264 Q N -0.080 119.731 119.800 0.018 0.000 2.112 264 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 264 Q C 1.625 177.624 176.000 -0.003 0.000 0.987 264 Q CA 2.353 58.161 55.803 0.009 0.000 0.858 264 Q CB -0.652 28.087 28.738 0.000 0.000 0.905 264 Q HN 0.381 nan 8.270 nan 0.000 0.420 265 G N -1.351 107.448 108.800 -0.003 0.000 2.985 265 G HA2 0.226 4.186 3.960 -0.000 0.000 0.209 265 G HA3 0.226 4.186 3.960 -0.000 0.000 0.209 265 G C 1.089 175.987 174.900 -0.002 0.000 1.165 265 G CA 0.414 45.510 45.100 -0.006 0.000 0.776 265 G HN 0.464 nan 8.290 nan 0.000 0.541 266 A N 1.208 124.028 122.820 0.001 0.000 1.887 266 A HA 0.280 4.599 4.320 -0.000 0.000 0.212 266 A C 1.541 179.122 177.584 -0.006 0.000 1.198 266 A CA 1.750 53.788 52.037 0.001 0.000 0.628 266 A CB 0.266 19.270 19.000 0.007 0.000 0.847 266 A HN 0.368 nan 8.150 nan 0.000 0.449 267 D N -3.084 117.309 120.400 -0.011 0.000 2.682 267 D HA 0.225 4.865 4.640 -0.000 0.000 0.291 267 D C 0.583 176.853 176.300 -0.050 0.000 1.585 267 D CA 0.239 54.221 54.000 -0.029 0.000 0.845 267 D CB -0.885 39.892 40.800 -0.039 0.000 1.323 267 D HN 0.246 nan 8.370 nan 0.000 0.438 268 L N -0.317 120.896 121.223 -0.017 0.000 3.370 268 L HA -0.306 4.034 4.340 -0.000 0.000 0.308 268 L C 0.155 177.086 176.870 0.102 0.000 4.222 268 L CA 2.231 57.077 54.840 0.011 0.000 1.163 268 L CB -1.441 40.616 42.059 -0.003 0.000 3.373 268 L HN 0.733 nan 8.230 nan 0.000 0.809 269 H N -1.975 117.117 119.070 0.036 0.000 3.037 269 H HA 0.370 4.926 4.556 -0.000 0.000 0.336 269 H C -1.048 174.321 175.328 0.067 0.000 1.323 269 H CA -0.171 55.909 56.048 0.054 0.000 1.159 269 H CB 1.216 31.017 29.762 0.067 0.000 1.882 269 H HN -0.019 nan 8.280 nan 0.000 0.535 270 T N 4.721 119.358 114.554 0.137 0.000 2.870 270 T HA 0.145 4.495 4.350 -0.000 0.000 0.300 270 T C -2.300 172.483 174.700 0.139 0.000 0.989 270 T CA -0.790 61.359 62.100 0.081 0.000 1.139 270 T CB 0.419 69.362 68.868 0.125 0.000 0.920 270 T HN 0.379 nan 8.240 nan 0.000 0.537 271 P HA -0.090 nan 4.420 nan 0.000 0.252 271 P C 0.690 178.064 177.300 0.124 0.000 1.147 271 P CA 0.107 63.246 63.100 0.066 0.000 0.779 271 P CB 0.305 32.011 31.700 0.009 0.000 0.733 272 M N 5.739 125.460 119.600 0.201 0.000 2.149 272 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 272 M C 1.651 177.932 176.300 -0.032 0.000 1.064 272 M CA 1.605 56.961 55.300 0.093 0.000 1.102 272 M CB -1.028 31.622 32.600 0.084 0.000 1.369 272 M HN 0.285 nan 8.290 nan 0.000 0.408 273 L N 0.243 121.455 121.223 -0.019 0.000 1.970 273 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 273 L C 1.746 178.560 176.870 -0.093 0.000 1.071 273 L CA 2.385 57.187 54.840 -0.065 0.000 0.751 273 L CB -1.415 40.620 42.059 -0.039 0.000 0.889 273 L HN 0.527 nan 8.230 nan 0.000 0.432 274 N N -0.385 118.280 118.700 -0.058 0.000 2.069 274 N HA -0.273 4.466 4.740 -0.000 0.000 0.191 274 N C 1.683 177.138 175.510 -0.092 0.000 1.031 274 N CA 1.564 54.576 53.050 -0.065 0.000 0.852 274 N CB -0.240 38.231 38.487 -0.027 0.000 1.018 274 N HN 0.564 nan 8.380 nan 0.000 0.423 275 Q N 0.664 120.421 119.800 -0.073 0.000 2.112 275 Q HA -0.123 4.217 4.340 -0.000 0.000 0.206 275 Q C 2.141 178.004 176.000 -0.228 0.000 0.987 275 Q CA 1.477 57.231 55.803 -0.083 0.000 0.858 275 Q CB -0.158 28.581 28.738 0.001 0.000 0.905 275 Q HN 0.484 nan 8.270 nan 0.000 0.420 276 M N -0.146 119.221 119.600 -0.389 0.000 2.132 276 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 276 M C 2.162 178.314 176.300 -0.246 0.000 1.065 276 M CA 0.858 55.854 55.300 -0.508 0.000 1.122 276 M CB -0.267 31.995 32.600 -0.563 0.000 1.365 276 M HN 0.212 nan 8.290 nan 0.000 0.411 277 L N 0.338 121.441 121.223 -0.199 0.000 1.994 277 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 277 L C 2.214 178.967 176.870 -0.196 0.000 1.071 277 L CA 1.683 56.423 54.840 -0.167 0.000 0.745 277 L CB -0.795 41.184 42.059 -0.133 0.000 0.892 277 L HN 0.016 nan 8.230 nan 0.000 0.431 278 V N 0.152 119.936 119.914 -0.216 0.000 2.282 278 V HA -0.393 3.727 4.120 -0.000 0.000 0.249 278 V C 2.635 178.510 176.094 -0.366 0.000 1.057 278 V CA 2.223 64.331 62.300 -0.319 0.000 1.032 278 V CB -1.001 30.560 31.823 -0.436 0.000 0.645 278 V HN 0.735 nan 8.190 nan 0.000 0.447 279 H N -0.143 118.694 119.070 -0.388 0.000 2.290 279 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 279 H C 2.371 177.471 175.328 -0.380 0.000 1.087 279 H CA 1.792 57.603 56.048 -0.395 0.000 1.291 279 H CB 0.228 29.884 29.762 -0.178 0.000 1.369 279 H HN 0.384 nan 8.280 nan 0.000 0.492 280 E N 0.767 120.720 120.200 -0.411 0.000 2.153 280 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 280 E C 2.427 178.824 176.600 -0.337 0.000 0.988 280 E CA 0.584 56.742 56.400 -0.404 0.000 0.811 280 E CB -0.099 29.457 29.700 -0.239 0.000 0.746 280 E HN 0.590 nan 8.360 nan 0.000 0.466 281 L N -0.311 120.733 121.223 -0.299 0.000 2.558 281 L HA -0.007 4.333 4.340 -0.000 0.000 0.225 281 L C 1.398 178.114 176.870 -0.257 0.000 1.128 281 L CA 0.068 54.775 54.840 -0.222 0.000 0.868 281 L CB 0.112 42.078 42.059 -0.154 0.000 1.006 281 L HN 0.046 nan 8.230 nan 0.000 0.454 282 L N -0.689 120.260 121.223 -0.456 0.000 2.781 282 L HA 0.060 4.400 4.340 -0.000 0.000 0.245 282 L C 2.241 178.715 176.870 -0.661 0.000 1.118 282 L CA 0.617 55.102 54.840 -0.591 0.000 0.918 282 L CB -0.032 41.459 42.059 -0.946 0.000 1.246 282 L HN 0.134 nan 8.230 nan 0.000 0.526 283 K N -0.367 119.652 120.400 -0.635 0.000 2.103 283 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 283 K C -0.156 176.344 176.600 -0.167 0.000 1.048 283 K CA 1.017 57.037 56.287 -0.445 0.000 0.930 283 K CB 0.015 32.242 32.500 -0.454 0.000 0.716 283 K HN 0.098 nan 8.250 nan 0.000 0.444 284 E N -0.066 120.049 120.200 -0.142 0.000 2.248 284 E HA 0.270 4.620 4.350 -0.000 0.000 0.267 284 E C -0.203 176.401 176.600 0.007 0.000 0.877 284 E CA -0.234 56.144 56.400 -0.037 0.000 0.759 284 E CB 1.818 31.490 29.700 -0.046 0.000 1.182 284 E HN 0.413 nan 8.360 nan 0.000 0.418 285 G N 2.394 111.233 108.800 0.065 0.000 2.212 285 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.255 285 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.255 285 G C 0.313 175.313 174.900 0.166 0.000 1.062 285 G CA 0.254 45.406 45.100 0.086 0.000 0.815 285 G HN 0.479 nan 8.290 nan 0.000 0.497 286 F N 1.256 121.206 119.950 -0.000 0.000 2.234 286 F HA 0.125 4.651 4.527 -0.000 0.000 0.296 286 F C 2.324 178.120 175.800 -0.006 0.000 1.089 286 F CA 1.699 59.696 58.000 -0.005 0.000 1.343 286 F CB -0.233 38.778 39.000 0.019 0.000 1.040 286 F HN 0.213 nan 8.300 nan 0.000 0.498 287 S N 0.103 115.816 115.700 0.021 0.000 2.387 287 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 287 S C 1.728 176.298 174.600 -0.051 0.000 1.026 287 S CA 1.323 59.476 58.200 -0.078 0.000 0.972 287 S CB -0.194 63.006 63.200 0.001 0.000 0.814 287 S HN 0.353 nan 8.310 nan 0.000 0.477 288 E N 1.192 121.395 120.200 0.004 0.000 2.106 288 E HA -0.070 4.280 4.350 -0.000 0.000 0.192 288 E C 2.102 178.704 176.600 0.003 0.000 0.984 288 E CA 0.738 57.143 56.400 0.009 0.000 0.806 288 E CB -0.118 29.597 29.700 0.025 0.000 0.750 288 E HN 0.335 nan 8.360 nan 0.000 0.458 289 R N 0.157 120.667 120.500 0.018 0.000 2.075 289 R HA -0.112 4.227 4.340 -0.000 0.000 0.232 289 R C 1.744 178.035 176.300 -0.016 0.000 1.126 289 R CA 0.964 57.086 56.100 0.036 0.000 0.963 289 R CB -0.159 30.212 30.300 0.119 0.000 0.858 289 R HN 0.128 nan 8.270 nan 0.000 0.435 290 L N 1.315 122.458 121.223 -0.133 0.000 2.141 290 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 290 L C 2.298 179.103 176.870 -0.109 0.000 1.094 290 L CA 1.603 56.334 54.840 -0.181 0.000 0.763 290 L CB -0.511 41.329 42.059 -0.364 0.000 0.908 290 L HN 0.172 nan 8.230 nan 0.000 0.437 291 E N -0.656 119.500 120.200 -0.072 0.000 2.072 291 E HA -0.189 4.161 4.350 -0.000 0.000 0.190 291 E C 2.332 178.922 176.600 -0.016 0.000 0.982 291 E CA 0.681 57.058 56.400 -0.039 0.000 0.803 291 E CB -0.109 29.581 29.700 -0.015 0.000 0.755 291 E HN 0.394 nan 8.360 nan 0.000 0.453 292 R N 0.769 121.267 120.500 -0.003 0.000 2.096 292 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 292 R C 2.323 178.646 176.300 0.038 0.000 1.127 292 R CA 1.089 57.195 56.100 0.010 0.000 0.968 292 R CB -0.227 30.082 30.300 0.015 0.000 0.861 292 R HN 0.055 nan 8.270 nan 0.000 0.440 293 V N 0.766 120.719 119.914 0.066 0.000 2.358 293 V HA -0.169 3.950 4.120 -0.000 0.000 0.246 293 V C 2.196 178.420 176.094 0.217 0.000 1.047 293 V CA 1.662 64.066 62.300 0.174 0.000 1.035 293 V CB -0.317 31.606 31.823 0.166 0.000 0.658 293 V HN 0.373 nan 8.190 nan 0.000 0.452 294 R N -0.544 119.995 120.500 0.065 0.000 2.081 294 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 294 R C 2.580 178.930 176.300 0.083 0.000 1.131 294 R CA 1.865 57.999 56.100 0.056 0.000 0.960 294 R CB -0.460 29.777 30.300 -0.105 0.000 0.856 294 R HN 0.495 nan 8.270 nan 0.000 0.436 295 R N 0.745 121.260 120.500 0.025 0.000 2.082 295 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 295 R C 2.095 178.365 176.300 -0.050 0.000 1.136 295 R CA 1.927 58.013 56.100 -0.023 0.000 0.935 295 R CB -0.419 29.865 30.300 -0.027 0.000 0.842 295 R HN 0.051 nan 8.270 nan 0.000 0.430 296 V N 0.383 120.277 119.914 -0.033 0.000 2.282 296 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 296 V C 2.079 178.069 176.094 -0.174 0.000 1.057 296 V CA 2.016 64.238 62.300 -0.130 0.000 1.032 296 V CB -0.723 30.980 31.823 -0.200 0.000 0.645 296 V HN 0.395 nan 8.190 nan 0.000 0.447 297 Y N -0.320 119.968 120.300 -0.021 0.000 2.373 297 Y HA -0.063 4.488 4.550 0.000 0.000 0.293 297 Y C 2.634 178.346 175.900 -0.313 0.000 1.129 297 Y CA 1.412 59.533 58.100 0.037 0.000 1.226 297 Y CB -0.332 38.290 38.460 0.269 0.000 1.000 297 Y HN 0.078 nan 8.280 nan 0.000 0.549 298 R N 0.848 121.121 120.500 -0.378 0.000 2.062 298 R HA -0.186 4.154 4.340 -0.000 0.000 0.231 298 R C 1.845 177.796 176.300 -0.582 0.000 1.136 298 R CA 1.943 57.481 56.100 -0.937 0.000 0.948 298 R CB -0.145 29.836 30.300 -0.533 0.000 0.845 298 R HN 0.371 nan 8.270 nan 0.000 0.430 299 E N 0.266 120.264 120.200 -0.337 0.000 2.058 299 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 299 E C 2.078 178.508 176.600 -0.284 0.000 0.997 299 E CA 1.640 57.883 56.400 -0.261 0.000 0.801 299 E CB 0.050 29.640 29.700 -0.184 0.000 0.746 299 E HN 0.307 nan 8.360 nan 0.000 0.450 300 K N 0.201 120.428 120.400 -0.288 0.000 2.057 300 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 300 K C 2.175 178.423 176.600 -0.585 0.000 1.049 300 K CA 1.113 57.216 56.287 -0.306 0.000 0.931 300 K CB -0.129 32.273 32.500 -0.163 0.000 0.714 300 K HN 0.071 nan 8.250 nan 0.000 0.440 301 A N 1.083 123.430 122.820 -0.788 0.000 1.898 301 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 301 A C 1.958 179.275 177.584 -0.446 0.000 1.181 301 A CA 1.197 52.688 52.037 -0.910 0.000 0.620 301 A CB -0.333 18.341 19.000 -0.542 0.000 0.819 301 A HN 0.150 nan 8.150 nan 0.000 0.442 302 Q N -0.311 119.269 119.800 -0.367 0.000 2.439 302 Q HA 0.052 4.392 4.340 -0.000 0.000 0.211 302 Q C 1.878 177.798 176.000 -0.134 0.000 0.978 302 Q CA 1.219 56.899 55.803 -0.206 0.000 0.897 302 Q CB -0.658 27.957 28.738 -0.205 0.000 0.956 302 Q HN 0.687 nan 8.270 nan 0.000 0.483 303 A N -1.230 121.485 122.820 -0.176 0.000 2.044 303 A HA 0.050 4.370 4.320 -0.000 0.000 0.213 303 A C 1.796 179.351 177.584 -0.048 0.000 1.169 303 A CA 0.348 52.331 52.037 -0.088 0.000 0.724 303 A CB -0.002 18.935 19.000 -0.104 0.000 0.840 303 A HN 0.181 nan 8.150 nan 0.000 0.463 304 M N -0.014 119.504 119.600 -0.136 0.000 2.064 304 M HA 0.013 4.493 4.480 -0.000 0.000 0.260 304 M C 2.136 178.370 176.300 -0.110 0.000 1.073 304 M CA 1.404 56.638 55.300 -0.109 0.000 1.124 304 M CB -1.233 31.293 32.600 -0.123 0.000 1.326 304 M HN 0.404 nan 8.290 nan 0.000 0.410 305 L N -1.226 119.952 121.223 -0.076 0.000 2.042 305 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 305 L C 2.556 179.424 176.870 -0.004 0.000 1.076 305 L CA 1.649 56.479 54.840 -0.017 0.000 0.749 305 L CB -1.009 41.082 42.059 0.054 0.000 0.893 305 L HN 0.382 nan 8.230 nan 0.000 0.432 306 H N -0.064 118.973 119.070 -0.056 0.000 2.290 306 H HA -0.165 4.391 4.556 -0.000 0.000 0.298 306 H C 2.145 177.448 175.328 -0.041 0.000 1.087 306 H CA 1.868 57.893 56.048 -0.038 0.000 1.291 306 H CB 0.048 29.782 29.762 -0.046 0.000 1.369 306 H HN 0.290 nan 8.280 nan 0.000 0.492 307 A N 0.403 123.212 122.820 -0.018 0.000 1.930 307 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 307 A C 2.552 180.051 177.584 -0.142 0.000 1.175 307 A CA 1.327 53.326 52.037 -0.064 0.000 0.627 307 A CB -0.805 18.199 19.000 0.007 0.000 0.815 307 A HN 0.481 nan 8.150 nan 0.000 0.443 308 L N -0.382 120.717 121.223 -0.206 0.000 2.083 308 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 308 L C 1.952 178.733 176.870 -0.149 0.000 1.083 308 L CA 1.420 56.056 54.840 -0.341 0.000 0.752 308 L CB -0.590 41.008 42.059 -0.769 0.000 0.899 308 L HN 0.318 nan 8.230 nan 0.000 0.433 309 D N -0.602 119.763 120.400 -0.058 0.000 2.178 309 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 309 D C 2.190 178.463 176.300 -0.045 0.000 0.980 309 D CA 0.957 54.973 54.000 0.027 0.000 0.842 309 D CB -0.075 40.709 40.800 -0.027 0.000 0.948 309 D HN 0.267 nan 8.370 nan 0.000 0.472 310 R N 0.632 121.058 120.500 -0.124 0.000 2.055 310 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 310 R C 1.655 177.922 176.300 -0.055 0.000 1.135 310 R CA 0.914 56.951 56.100 -0.105 0.000 0.959 310 R CB 0.225 30.437 30.300 -0.146 0.000 0.854 310 R HN -0.040 nan 8.270 nan 0.000 0.431 311 E N 0.397 120.562 120.200 -0.059 0.000 2.170 311 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 311 E C 0.372 176.955 176.600 -0.028 0.000 0.981 311 E CA 0.300 56.677 56.400 -0.038 0.000 0.830 311 E CB 0.145 29.821 29.700 -0.040 0.000 0.775 311 E HN 0.097 nan 8.360 nan 0.000 0.470 312 V N 5.637 125.534 119.914 -0.028 0.000 2.439 312 V HA 0.075 4.195 4.120 -0.000 0.000 0.271 312 V C -1.958 174.166 176.094 0.050 0.000 1.040 312 V CA -1.252 61.055 62.300 0.012 0.000 1.002 312 V CB 0.580 32.429 31.823 0.044 0.000 1.000 312 V HN 0.062 nan 8.190 nan 0.000 0.477 313 P HA 0.011 nan 4.420 nan 0.000 0.267 313 P C 0.380 177.696 177.300 0.026 0.000 1.200 313 P CA -0.147 62.964 63.100 0.018 0.000 0.772 313 P CB 0.897 32.600 31.700 0.005 0.000 0.855 314 K N 1.609 122.014 120.400 0.008 0.000 2.504 314 K HA -0.127 4.193 4.320 -0.000 0.000 0.195 314 K C 1.170 177.752 176.600 -0.030 0.000 1.036 314 K CA 0.934 57.213 56.287 -0.013 0.000 0.984 314 K CB 0.132 32.619 32.500 -0.021 0.000 0.788 314 K HN 0.322 nan 8.250 nan 0.000 0.488 315 E N 0.157 120.345 120.200 -0.020 0.000 2.106 315 E HA -0.098 4.251 4.350 -0.000 0.000 0.192 315 E C 0.530 177.108 176.600 -0.036 0.000 0.984 315 E CA 0.629 57.013 56.400 -0.026 0.000 0.806 315 E CB 0.117 29.806 29.700 -0.019 0.000 0.750 315 E HN 0.074 nan 8.360 nan 0.000 0.458 316 V N 2.640 122.539 119.914 -0.025 0.000 2.488 316 V HA 0.171 4.291 4.120 -0.000 0.000 0.277 316 V C -0.293 175.773 176.094 -0.047 0.000 1.046 316 V CA -0.641 61.644 62.300 -0.026 0.000 0.986 316 V CB 0.505 32.326 31.823 -0.004 0.000 0.989 316 V HN 0.145 nan 8.190 nan 0.000 0.475 317 R N 5.949 126.394 120.500 -0.091 0.000 2.540 317 R HA 0.692 5.032 4.340 -0.000 0.000 0.287 317 R C -1.393 174.834 176.300 -0.122 0.000 0.980 317 R CA -0.628 55.350 56.100 -0.203 0.000 0.966 317 R CB 1.249 31.460 30.300 -0.149 0.000 1.106 317 R HN 0.813 nan 8.270 nan 0.000 0.480 318 Y N -2.376 117.906 120.300 -0.030 0.000 2.544 318 Y HA 0.397 4.947 4.550 -0.000 0.000 0.342 318 Y C -0.286 175.645 175.900 0.052 0.000 1.062 318 Y CA -1.414 56.677 58.100 -0.015 0.000 1.023 318 Y CB 1.146 39.579 38.460 -0.045 0.000 1.308 318 Y HN 0.787 nan 8.280 nan 0.000 0.457 319 T N -0.020 114.710 114.554 0.292 0.000 2.856 319 T HA 0.439 4.789 4.350 -0.000 0.000 0.306 319 T C -0.187 174.687 174.700 0.289 0.000 1.062 319 T CA -0.827 61.422 62.100 0.248 0.000 1.083 319 T CB 0.558 69.587 68.868 0.267 0.000 0.984 319 T HN 0.822 nan 8.240 nan 0.000 0.542 320 R N 2.016 122.644 120.500 0.214 0.000 2.494 320 R HA 0.310 4.650 4.340 -0.000 0.000 0.284 320 R C -2.498 173.925 176.300 0.206 0.000 1.525 320 R CA -1.700 54.531 56.100 0.217 0.000 1.460 320 R CB 0.792 31.194 30.300 0.169 0.000 1.134 320 R HN 0.618 nan 8.270 nan 0.000 0.592 321 P HA -0.016 nan 4.420 nan 0.000 0.267 321 P C -0.466 176.978 177.300 0.240 0.000 1.200 321 P CA -0.022 63.213 63.100 0.225 0.000 0.772 321 P CB 1.073 32.910 31.700 0.229 0.000 0.855 322 K N 1.103 121.618 120.400 0.190 0.000 2.437 322 K HA 0.425 4.745 4.320 -0.000 0.000 0.205 322 K C 0.809 177.187 176.600 -0.370 0.000 1.026 322 K CA -0.192 56.207 56.287 0.186 0.000 1.153 322 K CB 0.552 33.211 32.500 0.266 0.000 0.863 322 K HN 0.764 nan 8.250 nan 0.000 0.502 323 G N -0.677 107.413 108.800 -1.184 0.000 2.315 323 G HA2 0.400 4.360 3.960 -0.000 0.000 0.294 323 G HA3 0.400 4.360 3.960 -0.000 0.000 0.294 323 G C -0.409 173.461 174.900 -1.716 0.000 1.300 323 G CA -0.265 43.194 45.100 -2.736 0.000 0.843 323 G HN 0.265 nan 8.290 nan 0.000 0.527 324 G N -0.919 106.999 108.800 -1.469 0.000 2.568 324 G HA2 0.310 4.269 3.960 -0.000 0.000 0.222 324 G HA3 0.310 4.269 3.960 -0.000 0.000 0.222 324 G C 0.626 175.196 174.900 -0.548 0.000 1.321 324 G CA 0.970 45.574 45.100 -0.827 0.000 0.893 324 G HN 2.240 nan 8.290 nan 0.000 0.569 325 M N -2.265 116.897 119.600 -0.730 0.000 2.621 325 M HA 0.663 5.143 4.480 -0.000 0.000 0.421 325 M C -0.558 174.929 176.300 -1.355 0.000 1.180 325 M CA -0.258 54.527 55.300 -0.859 0.000 0.875 325 M CB 0.615 32.762 32.600 -0.756 0.000 1.572 325 M HN 0.324 nan 8.290 nan 0.000 0.541 326 F N 0.137 119.865 119.950 -0.370 0.000 2.631 326 F HA 0.855 5.382 4.527 -0.000 0.000 0.328 326 F C -0.322 175.514 175.800 0.060 0.000 1.067 326 F CA -1.337 56.538 58.000 -0.209 0.000 0.969 326 F CB 1.945 40.866 39.000 -0.132 0.000 1.332 326 F HN -0.253 nan 8.300 nan 0.000 0.490 327 V N 1.079 121.203 119.914 0.350 0.000 2.668 327 V HA 0.194 4.314 4.120 -0.000 0.000 0.304 327 V C -1.582 174.692 176.094 0.300 0.000 1.071 327 V CA -0.944 61.542 62.300 0.310 0.000 0.894 327 V CB 2.296 34.257 31.823 0.231 0.000 1.008 327 V HN 0.799 nan 8.190 nan 0.000 0.425 328 W N 7.785 129.125 121.300 0.067 0.000 2.294 328 W HA 0.625 5.285 4.660 0.000 0.000 0.314 328 W C -0.907 175.640 176.519 0.047 0.000 1.044 328 W CA -0.784 56.562 57.345 0.001 0.000 1.284 328 W CB 1.658 31.090 29.460 -0.046 0.000 1.231 328 W HN 0.622 nan 8.180 nan 0.000 0.419 329 M N 5.430 124.819 119.600 -0.352 0.000 2.318 329 M HA 0.309 4.789 4.480 -0.000 0.000 0.347 329 M C -0.929 175.066 176.300 -0.508 0.000 1.175 329 M CA 0.240 55.358 55.300 -0.304 0.000 1.075 329 M CB 1.329 33.781 32.600 -0.248 0.000 1.614 329 M HN 0.438 nan 8.290 nan 0.000 0.456 330 E N 5.014 125.048 120.200 -0.277 0.000 2.216 330 E HA 0.398 4.748 4.350 -0.000 0.000 0.260 330 E C -1.262 175.255 176.600 -0.137 0.000 0.880 330 E CA -0.518 55.745 56.400 -0.230 0.000 0.765 330 E CB 1.900 31.524 29.700 -0.126 0.000 1.174 330 E HN 0.685 nan 8.360 nan 0.000 0.417 331 L N 3.606 124.747 121.223 -0.136 0.000 2.475 331 L HA 0.336 4.676 4.340 -0.000 0.000 0.253 331 L C -1.828 175.005 176.870 -0.062 0.000 1.198 331 L CA -1.950 52.836 54.840 -0.090 0.000 0.814 331 L CB -0.060 41.948 42.059 -0.085 0.000 1.134 331 L HN 0.323 nan 8.230 nan 0.000 0.478 332 P HA -0.012 nan 4.420 nan 0.000 0.276 332 P C -0.608 176.674 177.300 -0.029 0.000 1.264 332 P CA -0.383 62.697 63.100 -0.033 0.000 0.769 332 P CB 0.733 32.418 31.700 -0.026 0.000 0.840 333 K N 3.181 123.565 120.400 -0.028 0.000 2.475 333 K HA -0.207 4.113 4.320 -0.000 0.000 0.259 333 K C 1.175 177.762 176.600 -0.022 0.000 1.029 333 K CA 2.101 58.372 56.287 -0.026 0.000 1.137 333 K CB -0.784 31.704 32.500 -0.020 0.000 0.774 333 K HN 0.873 nan 8.250 nan 0.000 0.475 334 G N 3.310 112.096 108.800 -0.023 0.000 2.424 334 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.207 334 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.207 334 G C 0.249 175.142 174.900 -0.012 0.000 1.061 334 G CA 0.032 45.123 45.100 -0.016 0.000 0.657 334 G HN 0.529 nan 8.290 nan 0.000 0.508 335 L N 1.883 123.098 121.223 -0.013 0.000 2.456 335 L HA 0.514 4.854 4.340 -0.000 0.000 0.272 335 L C 0.873 177.743 176.870 -0.000 0.000 1.189 335 L CA 0.200 55.038 54.840 -0.005 0.000 0.846 335 L CB 1.376 43.429 42.059 -0.010 0.000 1.111 335 L HN 0.306 nan 8.230 nan 0.000 0.475 336 S N 1.320 117.032 115.700 0.021 0.000 2.438 336 S HA 0.408 4.878 4.470 -0.000 0.000 0.293 336 S C 0.899 175.546 174.600 0.077 0.000 1.141 336 S CA -0.253 57.970 58.200 0.039 0.000 1.080 336 S CB 1.571 64.798 63.200 0.046 0.000 0.978 336 S HN 0.689 nan 8.310 nan 0.000 0.479 337 A N 4.821 127.690 122.820 0.083 0.000 1.972 337 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 337 A C 2.043 179.811 177.584 0.307 0.000 1.169 337 A CA 1.186 53.322 52.037 0.164 0.000 0.635 337 A CB -0.431 18.651 19.000 0.137 0.000 0.810 337 A HN 0.844 nan 8.150 nan 0.000 0.446 338 E N -0.351 119.965 120.200 0.194 0.000 2.047 338 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 338 E C 2.258 178.997 176.600 0.232 0.000 0.987 338 E CA 1.240 57.750 56.400 0.183 0.000 0.799 338 E CB -0.857 28.896 29.700 0.088 0.000 0.752 338 E HN 0.558 nan 8.360 nan 0.000 0.449 339 G N 2.026 110.923 108.800 0.163 0.000 2.442 339 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 339 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 339 G C 1.513 176.515 174.900 0.171 0.000 1.141 339 G CA 0.428 45.610 45.100 0.137 0.000 0.763 339 G HN 0.201 nan 8.290 nan 0.000 0.554 340 L N -0.267 121.092 121.223 0.226 0.000 2.141 340 L HA 0.113 4.453 4.340 -0.000 0.000 0.209 340 L C 2.404 179.521 176.870 0.412 0.000 1.094 340 L CA 1.382 56.381 54.840 0.265 0.000 0.763 340 L CB -0.740 41.452 42.059 0.221 0.000 0.908 340 L HN 0.267 nan 8.230 nan 0.000 0.437 341 F N 1.028 121.174 119.950 0.326 0.000 2.216 341 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 341 F C 2.447 178.237 175.800 -0.017 0.000 1.085 341 F CA 1.217 59.227 58.000 0.017 0.000 1.326 341 F CB -0.083 38.814 39.000 -0.170 0.000 1.027 341 F HN 0.072 nan 8.300 nan 0.000 0.497 342 R N 0.298 120.831 120.500 0.054 0.000 2.073 342 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 342 R C 2.228 178.489 176.300 -0.065 0.000 1.120 342 R CA 0.870 56.950 56.100 -0.035 0.000 0.967 342 R CB -0.959 29.373 30.300 0.053 0.000 0.862 342 R HN 0.240 nan 8.270 nan 0.000 0.436 343 R N 0.754 121.257 120.500 0.005 0.000 2.193 343 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 343 R C 1.968 178.263 176.300 -0.009 0.000 1.110 343 R CA 1.150 57.256 56.100 0.009 0.000 0.988 343 R CB -0.457 29.869 30.300 0.044 0.000 0.871 343 R HN 0.206 nan 8.270 nan 0.000 0.458 344 A N 0.965 123.769 122.820 -0.026 0.000 1.930 344 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 344 A C 2.273 179.768 177.584 -0.149 0.000 1.176 344 A CA 0.622 52.642 52.037 -0.028 0.000 0.632 344 A CB -0.329 18.712 19.000 0.069 0.000 0.819 344 A HN 0.152 nan 8.150 nan 0.000 0.445 345 L N -0.682 120.366 121.223 -0.292 0.000 2.141 345 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 345 L C 2.482 179.274 176.870 -0.130 0.000 1.094 345 L CA 1.429 56.110 54.840 -0.266 0.000 0.763 345 L CB -0.357 41.505 42.059 -0.328 0.000 0.908 345 L HN 0.545 nan 8.230 nan 0.000 0.437 346 E N 0.093 120.237 120.200 -0.093 0.000 2.418 346 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 346 E C 0.978 177.558 176.600 -0.033 0.000 1.026 346 E CA 0.559 56.929 56.400 -0.050 0.000 0.862 346 E CB 0.409 30.090 29.700 -0.032 0.000 0.799 346 E HN 0.381 nan 8.360 nan 0.000 0.518 347 E N 0.390 120.570 120.200 -0.033 0.000 2.538 347 E HA 0.070 4.420 4.350 -0.000 0.000 0.207 347 E C -0.182 176.412 176.600 -0.010 0.000 1.002 347 E CA -0.132 56.263 56.400 -0.009 0.000 0.952 347 E CB 0.456 30.164 29.700 0.014 0.000 1.031 347 E HN 0.230 nan 8.360 nan 0.000 0.476 348 N N 0.229 118.908 118.700 -0.036 0.000 2.741 348 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 348 N C -0.191 175.303 175.510 -0.027 0.000 1.112 348 N CA 0.820 53.847 53.050 -0.039 0.000 0.750 348 N CB -1.525 36.947 38.487 -0.025 0.000 1.119 348 N HN 0.145 nan 8.380 nan 0.000 0.561 349 V N -0.691 119.217 119.914 -0.010 0.000 2.919 349 V HA 0.923 5.043 4.120 -0.000 0.000 0.316 349 V C -0.580 175.527 176.094 0.022 0.000 1.077 349 V CA 0.072 62.408 62.300 0.061 0.000 0.977 349 V CB 2.136 34.069 31.823 0.184 0.000 1.039 349 V HN 0.346 nan 8.190 nan 0.000 0.441 350 A N 3.901 126.795 122.820 0.124 0.000 2.606 350 A HA 0.987 5.307 4.320 -0.000 0.000 0.293 350 A C -1.291 176.506 177.584 0.355 0.000 1.082 350 A CA -0.353 51.712 52.037 0.047 0.000 0.685 350 A CB 1.670 20.653 19.000 -0.028 0.000 1.284 350 A HN 1.620 nan 8.150 nan 0.000 0.408 351 F N -1.286 118.915 119.950 0.418 0.000 2.950 351 F HA 0.833 5.360 4.527 -0.000 0.000 0.327 351 F C -0.884 175.123 175.800 0.344 0.000 1.197 351 F CA -1.305 56.918 58.000 0.370 0.000 0.954 351 F CB 1.265 40.434 39.000 0.281 0.000 1.442 351 F HN 0.631 nan 8.300 nan 0.000 0.509 352 V N 2.194 122.448 119.914 0.566 0.000 2.378 352 V HA 0.593 4.712 4.120 -0.000 0.000 0.288 352 V C -2.718 173.658 176.094 0.470 0.000 1.016 352 V CA -2.648 59.869 62.300 0.362 0.000 0.840 352 V CB 1.511 33.554 31.823 0.367 0.000 0.994 352 V HN 0.578 nan 8.190 nan 0.000 0.431 353 P HA 0.190 nan 4.420 nan 0.000 0.268 353 P C 0.772 178.307 177.300 0.391 0.000 1.204 353 P CA 0.295 63.578 63.100 0.305 0.000 0.768 353 P CB 0.933 32.699 31.700 0.110 0.000 0.842 354 G N 2.675 111.719 108.800 0.406 0.000 2.848 354 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.208 354 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.208 354 G C 1.624 177.005 174.900 0.801 0.000 1.152 354 G CA 0.523 46.092 45.100 0.783 0.000 0.789 354 G HN 0.616 nan 8.290 nan 0.000 0.531 355 G N 1.785 110.845 108.800 0.433 0.000 2.469 355 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 355 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 355 G C -0.043 175.021 174.900 0.272 0.000 1.150 355 G CA 0.939 46.243 45.100 0.340 0.000 0.763 355 G HN 0.406 nan 8.290 nan 0.000 0.561 356 P HA 0.031 nan 4.420 nan 0.000 0.230 356 P C 0.704 177.774 177.300 -0.384 0.000 1.158 356 P CA 0.505 63.459 63.100 -0.244 0.000 0.769 356 P CB -0.091 31.349 31.700 -0.432 0.000 0.807 357 F N -2.731 117.219 119.950 -0.000 0.000 2.765 357 F HA 0.215 4.742 4.527 -0.000 0.000 0.302 357 F C 0.592 176.117 175.800 -0.459 0.000 1.111 357 F CA -0.026 57.829 58.000 -0.241 0.000 1.359 357 F CB -0.472 38.336 39.000 -0.320 0.000 1.097 357 F HN -0.216 nan 8.300 nan 0.000 0.577 358 F N -0.367 119.623 119.950 0.067 0.000 2.361 358 F HA 0.495 5.022 4.527 -0.000 0.000 0.364 358 F C 1.153 176.890 175.800 -0.106 0.000 1.117 358 F CA -0.985 57.023 58.000 0.013 0.000 1.071 358 F CB 1.107 40.146 39.000 0.066 0.000 1.188 358 F HN -0.065 nan 8.300 nan 0.000 0.464 359 A N 3.064 125.825 122.820 -0.098 0.000 1.940 359 A HA -0.210 4.109 4.320 -0.000 0.000 0.219 359 A C 1.392 178.887 177.584 -0.148 0.000 1.176 359 A CA 1.686 53.508 52.037 -0.359 0.000 0.631 359 A CB -0.516 18.049 19.000 -0.725 0.000 0.814 359 A HN 0.850 nan 8.150 nan 0.000 0.446 360 N N -0.927 117.789 118.700 0.026 0.000 2.321 360 N HA 0.409 5.149 4.740 -0.000 0.000 0.242 360 N C 0.455 176.010 175.510 0.075 0.000 1.141 360 N CA 0.154 53.248 53.050 0.073 0.000 0.864 360 N CB 0.571 39.120 38.487 0.102 0.000 1.100 360 N HN 0.661 nan 8.380 nan 0.000 0.510 361 G N 0.084 108.941 108.800 0.095 0.000 2.782 361 G HA2 0.151 4.111 3.960 -0.000 0.000 0.228 361 G HA3 0.151 4.111 3.960 -0.000 0.000 0.228 361 G C 0.194 175.071 174.900 -0.038 0.000 1.372 361 G CA -0.719 44.415 45.100 0.056 0.000 0.862 361 G HN 0.688 nan 8.290 nan 0.000 0.547 362 G N -1.715 107.017 108.800 -0.113 0.000 2.660 362 G HA2 0.498 4.458 3.960 -0.000 0.000 0.215 362 G HA3 0.498 4.458 3.960 -0.000 0.000 0.215 362 G C 1.717 176.311 174.900 -0.510 0.000 1.345 362 G CA 1.347 46.293 45.100 -0.256 0.000 0.877 362 G HN 3.201 nan 8.290 nan 0.000 0.549 363 G N -0.829 107.599 108.800 -0.621 0.000 2.273 363 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.280 363 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.280 363 G C 0.868 175.660 174.900 -0.179 0.000 1.047 363 G CA 1.393 46.096 45.100 -0.661 0.000 0.869 363 G HN 1.869 nan 8.290 nan 0.000 0.502 364 E N 0.528 120.661 120.200 -0.112 0.000 2.511 364 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 364 E C 1.302 177.896 176.600 -0.010 0.000 1.066 364 E CA 0.690 57.079 56.400 -0.018 0.000 0.871 364 E CB -0.241 29.448 29.700 -0.018 0.000 0.863 364 E HN 0.781 nan 8.360 nan 0.000 0.520 365 N N 1.291 119.963 118.700 -0.046 0.000 2.273 365 N HA -0.016 4.723 4.740 -0.000 0.000 0.231 365 N C -0.264 175.173 175.510 -0.122 0.000 1.134 365 N CA -0.051 52.962 53.050 -0.061 0.000 0.856 365 N CB 0.345 38.794 38.487 -0.062 0.000 1.068 365 N HN 0.070 nan 8.380 nan 0.000 0.510 366 T N -0.896 113.580 114.554 -0.129 0.000 2.916 366 T HA 0.729 5.079 4.350 -0.000 0.000 0.292 366 T C -0.536 173.947 174.700 -0.362 0.000 1.064 366 T CA -0.788 61.079 62.100 -0.388 0.000 1.011 366 T CB 2.167 70.763 68.868 -0.454 0.000 1.152 366 T HN 0.135 nan 8.240 nan 0.000 0.510 367 L N -1.372 119.456 121.223 -0.657 0.000 2.653 367 L HA 0.674 5.014 4.340 -0.000 0.000 0.257 367 L C -1.160 175.526 176.870 -0.308 0.000 0.969 367 L CA -1.043 53.637 54.840 -0.267 0.000 0.869 367 L CB 1.572 43.534 42.059 -0.162 0.000 1.439 367 L HN 1.053 nan 8.230 nan 0.000 0.414 368 R N 1.433 121.983 120.500 0.083 0.000 2.532 368 R HA 0.872 5.212 4.340 -0.000 0.000 0.295 368 R C -1.506 174.928 176.300 0.223 0.000 0.968 368 R CA -0.712 55.485 56.100 0.161 0.000 0.916 368 R CB 1.682 32.008 30.300 0.044 0.000 1.124 368 R HN 0.811 nan 8.270 nan 0.000 0.463 369 L N 2.176 123.529 121.223 0.216 0.000 2.341 369 L HA 0.416 4.756 4.340 -0.000 0.000 0.278 369 L C -0.312 176.763 176.870 0.341 0.000 1.005 369 L CA -0.651 54.336 54.840 0.244 0.000 0.818 369 L CB 2.024 44.088 42.059 0.007 0.000 1.259 369 L HN 0.554 nan 8.230 nan 0.000 0.418 370 S N 1.078 117.019 115.700 0.400 0.000 2.502 370 S HA 0.470 4.940 4.470 -0.000 0.000 0.304 370 S C -0.010 174.730 174.600 0.234 0.000 1.097 370 S CA -0.558 57.762 58.200 0.200 0.000 1.045 370 S CB 0.899 64.282 63.200 0.306 0.000 1.019 370 S HN 0.529 nan 8.310 nan 0.000 0.481 371 Y N 2.942 123.388 120.300 0.243 0.000 2.442 371 Y HA 0.519 5.069 4.550 -0.000 0.000 0.250 371 Y C 1.984 177.937 175.900 0.088 0.000 1.113 371 Y CA 0.134 58.366 58.100 0.220 0.000 1.273 371 Y CB -1.010 37.562 38.460 0.187 0.000 1.138 371 Y HN 0.643 nan 8.280 nan 0.000 0.522 372 A N 1.422 124.291 122.820 0.082 0.000 1.971 372 A HA -0.302 4.018 4.320 -0.000 0.000 0.222 372 A C 2.225 179.802 177.584 -0.012 0.000 1.182 372 A CA 3.040 55.123 52.037 0.077 0.000 0.649 372 A CB -1.395 17.690 19.000 0.142 0.000 0.818 372 A HN 0.621 nan 8.150 nan 0.000 0.458 373 T N -3.651 110.912 114.554 0.015 0.000 3.086 373 T HA 0.501 4.850 4.350 -0.000 0.000 0.250 373 T C 0.519 175.192 174.700 -0.045 0.000 1.074 373 T CA -0.206 61.875 62.100 -0.032 0.000 0.988 373 T CB -0.296 68.565 68.868 -0.010 0.000 0.988 373 T HN 0.215 nan 8.240 nan 0.000 0.530 374 L N 1.394 122.606 121.223 -0.017 0.000 2.439 374 L HA 0.518 4.858 4.340 -0.000 0.000 0.259 374 L C 0.382 177.228 176.870 -0.041 0.000 1.129 374 L CA -0.924 53.887 54.840 -0.049 0.000 0.803 374 L CB 0.886 42.903 42.059 -0.069 0.000 1.161 374 L HN 0.092 nan 8.230 nan 0.000 0.462 375 D N -0.430 119.939 120.400 -0.053 0.000 2.383 375 D HA 0.107 4.747 4.640 -0.000 0.000 0.248 375 D C 0.792 177.073 176.300 -0.032 0.000 1.170 375 D CA -0.162 53.809 54.000 -0.049 0.000 0.977 375 D CB 1.056 41.826 40.800 -0.050 0.000 1.120 375 D HN 0.307 nan 8.370 nan 0.000 0.481 376 R N 0.576 121.051 120.500 -0.042 0.000 2.148 376 R HA -0.132 4.208 4.340 -0.000 0.000 0.227 376 R C 1.282 177.571 176.300 -0.018 0.000 1.103 376 R CA 1.272 57.349 56.100 -0.039 0.000 0.983 376 R CB 0.169 30.434 30.300 -0.058 0.000 0.874 376 R HN 0.337 nan 8.270 nan 0.000 0.451 377 E N -0.721 119.468 120.200 -0.019 0.000 2.276 377 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 377 E C 1.620 178.220 176.600 -0.001 0.000 0.983 377 E CA 1.197 57.592 56.400 -0.008 0.000 0.861 377 E CB -0.135 29.555 29.700 -0.016 0.000 0.817 377 E HN 0.328 nan 8.360 nan 0.000 0.485 378 G N 0.979 109.769 108.800 -0.017 0.000 2.403 378 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 378 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 378 G C 1.647 176.544 174.900 -0.005 0.000 1.154 378 G CA 0.816 45.892 45.100 -0.040 0.000 0.784 378 G HN 0.302 nan 8.290 nan 0.000 0.538 379 I N 1.321 121.929 120.570 0.064 0.000 2.179 379 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 379 I C 3.296 179.561 176.117 0.246 0.000 1.088 379 I CA 0.969 62.412 61.300 0.240 0.000 1.357 379 I CB -0.246 37.865 38.000 0.185 0.000 1.051 379 I HN 0.239 nan 8.210 nan 0.000 0.409 380 A N 0.590 123.483 122.820 0.122 0.000 1.841 380 A HA -0.285 4.035 4.320 -0.000 0.000 0.216 380 A C 2.231 179.876 177.584 0.102 0.000 1.199 380 A CA 2.161 54.257 52.037 0.098 0.000 0.621 380 A CB -0.744 18.292 19.000 0.060 0.000 0.835 380 A HN 0.393 nan 8.150 nan 0.000 0.445 381 E N 0.131 120.375 120.200 0.073 0.000 2.085 381 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 381 E C 1.968 178.629 176.600 0.101 0.000 0.994 381 E CA 1.766 58.202 56.400 0.060 0.000 0.801 381 E CB -0.954 28.762 29.700 0.025 0.000 0.743 381 E HN 0.428 nan 8.360 nan 0.000 0.453 382 G N -0.068 108.818 108.800 0.144 0.000 2.433 382 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 382 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 382 G C 1.692 176.889 174.900 0.495 0.000 1.186 382 G CA 1.099 46.364 45.100 0.274 0.000 0.779 382 G HN 0.274 nan 8.290 nan 0.000 0.543 383 V N 0.878 121.045 119.914 0.422 0.000 2.913 383 V HA -0.071 4.049 4.120 -0.000 0.000 0.260 383 V C 2.656 178.786 176.094 0.061 0.000 1.098 383 V CA 1.709 64.070 62.300 0.102 0.000 1.121 383 V CB -0.424 31.371 31.823 -0.047 0.000 0.714 383 V HN 0.432 nan 8.190 nan 0.000 0.487 384 R N 0.646 121.202 120.500 0.094 0.000 2.057 384 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 384 R C 2.552 178.885 176.300 0.055 0.000 1.136 384 R CA 1.372 57.504 56.100 0.053 0.000 0.952 384 R CB -0.143 30.188 30.300 0.051 0.000 0.848 384 R HN 0.402 nan 8.270 nan 0.000 0.430 385 R N 0.607 121.156 120.500 0.083 0.000 2.081 385 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 385 R C 2.480 178.829 176.300 0.081 0.000 1.131 385 R CA 1.408 57.552 56.100 0.074 0.000 0.960 385 R CB -0.581 29.767 30.300 0.080 0.000 0.856 385 R HN 0.293 nan 8.270 nan 0.000 0.436 386 L N 0.547 121.838 121.223 0.115 0.000 2.042 386 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 386 L C 2.260 179.144 176.870 0.022 0.000 1.076 386 L CA 1.701 56.594 54.840 0.088 0.000 0.749 386 L CB -0.690 41.398 42.059 0.048 0.000 0.893 386 L HN 0.359 nan 8.230 nan 0.000 0.432 387 G N -0.606 108.197 108.800 0.004 0.000 2.422 387 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 387 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 387 G C 1.640 176.542 174.900 0.003 0.000 1.146 387 G CA 0.498 45.591 45.100 -0.011 0.000 0.769 387 G HN 0.350 nan 8.290 nan 0.000 0.547 388 R N 0.373 120.882 120.500 0.015 0.000 2.090 388 R HA 0.114 4.454 4.340 -0.000 0.000 0.228 388 R C 3.044 179.355 176.300 0.018 0.000 1.110 388 R CA 0.954 57.063 56.100 0.015 0.000 0.973 388 R CB -0.341 29.969 30.300 0.017 0.000 0.869 388 R HN 0.335 nan 8.270 nan 0.000 0.440 389 A N 1.441 124.279 122.820 0.029 0.000 1.908 389 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 389 A C 2.176 179.778 177.584 0.031 0.000 1.181 389 A CA 1.208 53.269 52.037 0.040 0.000 0.627 389 A CB -0.561 18.483 19.000 0.074 0.000 0.818 389 A HN 0.174 nan 8.150 nan 0.000 0.445 390 L N -1.022 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