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 2zp7_1_B 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 0.000 174.389 174.600 -0.352 0.000 1.055 5 S CA 0.000 58.048 58.200 -0.252 0.000 1.107 5 S CB 0.000 63.001 63.200 -0.332 0.000 0.593 6 W N 3.750 124.883 121.300 -0.278 0.000 2.378 6 W HA -0.031 4.630 4.660 0.002 0.000 0.313 6 W C 3.081 179.003 176.519 -0.995 0.000 1.197 6 W CA 1.896 58.893 57.345 -0.579 0.000 1.304 6 W CB -0.268 28.956 29.460 -0.393 0.000 1.148 6 W HN 0.547 nan 8.180 nan 0.000 0.494 7 S N -0.163 115.393 115.700 -0.239 0.000 2.419 7 S HA -0.238 4.233 4.470 0.002 0.000 0.233 7 S C 1.571 176.119 174.600 -0.087 0.000 1.016 7 S CA 1.599 59.750 58.200 -0.083 0.000 0.974 7 S CB -0.428 62.832 63.200 0.100 0.000 0.786 7 S HN 0.315 nan 8.310 nan 0.000 0.492 8 E N 1.474 121.595 120.200 -0.132 0.000 2.208 8 E HA 0.194 4.546 4.350 0.002 0.000 0.193 8 E C 1.989 178.517 176.600 -0.120 0.000 0.988 8 E CA 0.869 57.212 56.400 -0.095 0.000 0.828 8 E CB -0.458 29.182 29.700 -0.100 0.000 0.763 8 E HN 0.683 nan 8.360 nan 0.000 0.478 9 A N -0.086 122.587 122.820 -0.244 0.000 2.016 9 A HA 0.061 4.382 4.320 0.002 0.000 0.217 9 A C 0.266 177.848 177.584 -0.003 0.000 1.162 9 A CA 0.185 52.111 52.037 -0.186 0.000 0.662 9 A CB -0.291 18.538 19.000 -0.285 0.000 0.812 9 A HN 0.146 nan 8.150 nan 0.000 0.450 10 F N 0.034 120.064 119.950 0.134 0.000 2.496 10 F HA 0.479 5.007 4.527 0.002 0.000 0.344 10 F C 1.356 177.197 175.800 0.067 0.000 1.155 10 F CA -0.552 57.514 58.000 0.110 0.000 1.302 10 F CB -0.031 39.029 39.000 0.101 0.000 1.159 10 F HN 0.122 nan 8.300 nan 0.000 0.595 11 G N 1.087 110.051 108.800 0.272 0.000 2.532 11 G HA2 0.245 4.207 3.960 0.002 0.000 0.291 11 G HA3 0.245 4.207 3.960 0.002 0.000 0.291 11 G C 0.584 175.554 174.900 0.118 0.000 1.349 11 G CA -0.637 44.552 45.100 0.148 0.000 1.038 11 G HN 0.577 nan 8.290 nan 0.000 0.518 12 K N -0.351 120.093 120.400 0.074 0.000 2.211 12 K HA -0.059 4.263 4.320 0.002 0.000 0.203 12 K C 2.529 179.151 176.600 0.036 0.000 1.050 12 K CA 0.903 57.223 56.287 0.054 0.000 0.945 12 K CB -0.185 32.339 32.500 0.040 0.000 0.732 12 K HN 0.473 nan 8.250 nan 0.000 0.451 13 G N 1.702 110.518 108.800 0.027 0.000 2.442 13 G HA2 -0.290 3.672 3.960 0.002 0.000 0.219 13 G HA3 -0.290 3.672 3.960 0.002 0.000 0.219 13 G C 1.628 176.507 174.900 -0.035 0.000 1.141 13 G CA 1.011 46.111 45.100 0.000 0.000 0.763 13 G HN 0.351 nan 8.290 nan 0.000 0.554 14 A N 0.645 123.434 122.820 -0.053 0.000 1.972 14 A HA 0.182 4.503 4.320 0.002 0.000 0.219 14 A C 2.595 180.134 177.584 -0.076 0.000 1.169 14 A CA 1.943 53.888 52.037 -0.152 0.000 0.635 14 A CB -0.706 18.132 19.000 -0.271 0.000 0.810 14 A HN 0.528 nan 8.150 nan 0.000 0.446 15 G N -1.161 107.637 108.800 -0.004 0.000 2.712 15 G HA2 -0.025 3.936 3.960 0.002 0.000 0.212 15 G HA3 -0.025 3.936 3.960 0.002 0.000 0.212 15 G C 1.535 176.438 174.900 0.003 0.000 1.142 15 G CA 0.346 45.454 45.100 0.013 0.000 0.789 15 G HN 0.558 nan 8.290 nan 0.000 0.535 16 R N -0.260 120.238 120.500 -0.003 0.000 2.300 16 R HA 0.203 4.544 4.340 0.002 0.000 0.199 16 R C 0.866 177.159 176.300 -0.011 0.000 0.920 16 R CA 0.201 56.306 56.100 0.008 0.000 1.046 16 R CB 0.166 30.479 30.300 0.021 0.000 0.984 16 R HN 0.546 nan 8.270 nan 0.000 0.493 17 I N -3.743 116.801 120.570 -0.043 0.000 3.707 17 I HA 0.298 4.469 4.170 0.002 0.000 0.330 17 I C 1.605 177.676 176.117 -0.077 0.000 1.572 17 I CA -0.193 61.069 61.300 -0.063 0.000 1.104 17 I CB 0.340 38.294 38.000 -0.078 0.000 1.240 17 I HN -0.193 nan 8.210 nan 0.000 0.475 18 Q N 1.756 121.519 119.800 -0.061 0.000 2.167 18 Q HA 0.320 4.662 4.340 0.002 0.000 0.202 18 Q C 1.529 177.487 176.000 -0.069 0.000 0.970 18 Q CA 1.183 56.950 55.803 -0.060 0.000 0.855 18 Q CB -0.790 27.926 28.738 -0.037 0.000 0.911 18 Q HN 0.835 nan 8.270 nan 0.000 0.438 19 A N 0.967 123.740 122.820 -0.078 0.000 2.546 19 A HA 0.373 4.694 4.320 0.002 0.000 0.243 19 A C 0.739 178.259 177.584 -0.106 0.000 1.063 19 A CA 0.442 52.420 52.037 -0.099 0.000 0.757 19 A CB 0.292 19.216 19.000 -0.126 0.000 0.991 19 A HN 0.605 nan 8.150 nan 0.000 0.503 20 S N 1.753 117.392 115.700 -0.103 0.000 2.749 20 S HA 0.042 4.513 4.470 0.002 0.000 0.246 20 S C 1.438 175.976 174.600 -0.102 0.000 1.023 20 S CA 0.300 58.444 58.200 -0.094 0.000 1.012 20 S CB 0.343 63.499 63.200 -0.074 0.000 0.942 20 S HN 0.808 nan 8.310 nan 0.000 0.531 21 T N 3.269 117.743 114.554 -0.134 0.000 2.635 21 T HA -0.102 4.249 4.350 0.002 0.000 0.267 21 T C 1.712 176.339 174.700 -0.122 0.000 1.040 21 T CA 1.465 63.473 62.100 -0.153 0.000 1.156 21 T CB -0.412 68.322 68.868 -0.224 0.000 0.863 21 T HN 0.328 nan 8.240 nan 0.000 0.430 22 I N 1.543 122.036 120.570 -0.130 0.000 2.068 22 I HA -0.339 3.832 4.170 0.002 0.000 0.238 22 I C 2.792 178.880 176.117 -0.047 0.000 1.046 22 I CA 2.140 63.388 61.300 -0.087 0.000 1.306 22 I CB -0.388 37.552 38.000 -0.100 0.000 1.023 22 I HN 0.315 nan 8.210 nan 0.000 0.399 23 R N 0.490 120.958 120.500 -0.053 0.000 2.120 23 R HA -0.163 4.178 4.340 0.002 0.000 0.234 23 R C 2.100 178.387 176.300 -0.023 0.000 1.123 23 R CA 1.401 57.480 56.100 -0.034 0.000 0.975 23 R CB -0.504 29.771 30.300 -0.042 0.000 0.866 23 R HN 0.294 nan 8.270 nan 0.000 0.446 24 E N 1.220 121.400 120.200 -0.033 0.000 2.107 24 E HA -0.059 4.293 4.350 0.002 0.000 0.191 24 E C 2.039 178.640 176.600 0.002 0.000 0.982 24 E CA 0.922 57.311 56.400 -0.019 0.000 0.809 24 E CB -0.033 29.644 29.700 -0.038 0.000 0.756 24 E HN 0.439 nan 8.360 nan 0.000 0.459 25 L N 0.297 121.518 121.223 -0.003 0.000 1.994 25 L HA -0.224 4.118 4.340 0.002 0.000 0.208 25 L C 2.519 179.420 176.870 0.052 0.000 1.071 25 L CA 0.658 55.519 54.840 0.035 0.000 0.745 25 L CB -0.472 41.612 42.059 0.042 0.000 0.892 25 L HN 0.203 nan 8.230 nan 0.000 0.431 26 L N 0.263 121.509 121.223 0.039 0.000 2.081 26 L HA -0.253 4.089 4.340 0.002 0.000 0.212 26 L C 2.387 179.282 176.870 0.041 0.000 1.080 26 L CA 1.748 56.615 54.840 0.045 0.000 0.754 26 L CB -0.943 41.134 42.059 0.029 0.000 0.893 26 L HN 0.224 nan 8.230 nan 0.000 0.433 27 K N -0.204 120.214 120.400 0.030 0.000 2.442 27 K HA -0.109 4.213 4.320 0.002 0.000 0.198 27 K C 1.724 178.346 176.600 0.037 0.000 1.044 27 K CA 0.562 56.866 56.287 0.027 0.000 0.948 27 K CB -0.332 32.180 32.500 0.019 0.000 0.762 27 K HN 0.438 nan 8.250 nan 0.000 0.472 28 L N -0.424 120.829 121.223 0.051 0.000 2.814 28 L HA -0.065 4.276 4.340 0.002 0.000 0.248 28 L C 1.132 178.032 176.870 0.051 0.000 1.169 28 L CA 0.994 55.868 54.840 0.056 0.000 0.872 28 L CB -0.760 41.346 42.059 0.079 0.000 1.029 28 L HN -0.084 nan 8.230 nan 0.000 0.452 29 T N 0.420 115.001 114.554 0.046 0.000 3.400 29 T HA -0.004 4.347 4.350 0.002 0.000 0.254 29 T C 0.836 175.555 174.700 0.030 0.000 1.153 29 T CA 0.178 62.304 62.100 0.043 0.000 1.012 29 T CB -0.478 68.413 68.868 0.037 0.000 0.994 29 T HN 0.560 nan 8.240 nan 0.000 0.555 30 Q N 0.968 120.783 119.800 0.025 0.000 2.614 30 Q HA 0.557 4.898 4.340 0.002 0.000 0.244 30 Q C 0.403 176.409 176.000 0.010 0.000 1.097 30 Q CA 0.634 56.444 55.803 0.013 0.000 0.986 30 Q CB 0.361 29.102 28.738 0.006 0.000 1.308 30 Q HN 0.483 nan 8.270 nan 0.000 0.546 31 R N 0.623 121.125 120.500 0.003 0.000 2.566 31 R HA 0.438 4.780 4.340 0.002 0.000 0.271 31 R C -2.522 173.775 176.300 -0.004 0.000 1.071 31 R CA -0.900 55.201 56.100 0.002 0.000 0.915 31 R CB -0.372 29.931 30.300 0.006 0.000 1.228 31 R HN 0.734 nan 8.270 nan 0.000 0.449 32 P HA 0.185 nan 4.420 nan 0.000 0.225 32 P C 1.064 178.357 177.300 -0.012 0.000 1.142 32 P CA 1.032 64.129 63.100 -0.004 0.000 0.894 32 P CB 0.560 32.259 31.700 -0.002 0.000 0.895 33 G N 1.051 109.840 108.800 -0.018 0.000 3.397 33 G HA2 0.217 4.179 3.960 0.002 0.000 0.248 33 G HA3 0.217 4.179 3.960 0.002 0.000 0.248 33 G C -0.163 174.712 174.900 -0.041 0.000 1.284 33 G CA -0.089 44.996 45.100 -0.026 0.000 1.570 33 G HN 0.230 nan 8.290 nan 0.000 0.587 34 I N 0.851 121.394 120.570 -0.044 0.000 2.297 34 I HA 0.331 4.503 4.170 0.002 0.000 0.291 34 I C 0.050 176.108 176.117 -0.099 0.000 1.033 34 I CA -1.376 59.885 61.300 -0.065 0.000 1.253 34 I CB 0.741 38.713 38.000 -0.047 0.000 1.396 34 I HN -0.022 nan 8.210 nan 0.000 0.476 35 L N 7.034 128.167 121.223 -0.150 0.000 2.385 35 L HA 0.255 4.596 4.340 0.002 0.000 0.285 35 L C 0.554 177.182 176.870 -0.404 0.000 1.125 35 L CA -0.089 54.587 54.840 -0.273 0.000 0.890 35 L CB -0.043 41.846 42.059 -0.283 0.000 1.251 35 L HN 0.602 nan 8.230 nan 0.000 0.445 36 S N 2.820 118.337 115.700 -0.304 0.000 2.411 36 S HA 0.378 4.849 4.470 0.002 0.000 0.294 36 S C 0.493 174.963 174.600 -0.216 0.000 1.115 36 S CA -0.505 57.584 58.200 -0.185 0.000 1.071 36 S CB 0.134 63.322 63.200 -0.020 0.000 0.967 36 S HN 0.456 nan 8.310 nan 0.000 0.488 37 F N 3.162 123.222 119.950 0.183 0.000 2.641 37 F HA 0.390 4.918 4.527 0.002 0.000 0.302 37 F C 1.309 177.268 175.800 0.265 0.000 1.098 37 F CA -0.551 57.579 58.000 0.217 0.000 1.318 37 F CB 0.151 39.290 39.000 0.231 0.000 1.035 37 F HN 0.605 nan 8.300 nan 0.000 0.551 38 A N 0.273 123.301 122.820 0.348 0.000 2.246 38 A HA 0.669 4.990 4.320 0.002 0.000 0.291 38 A C 0.803 178.568 177.584 0.302 0.000 1.103 38 A CA 0.049 52.282 52.037 0.328 0.000 0.844 38 A CB -0.370 18.783 19.000 0.254 0.000 1.136 38 A HN 0.479 nan 8.150 nan 0.000 0.500 39 G N -1.348 107.635 108.800 0.306 0.000 3.344 39 G HA2 0.220 4.181 3.960 0.002 0.000 0.677 39 G HA3 0.220 4.181 3.960 0.002 0.000 0.677 39 G C 0.590 175.703 174.900 0.355 0.000 1.155 39 G CA 0.122 45.405 45.100 0.304 0.000 1.137 39 G HN 1.947 nan 8.290 nan 0.000 0.571 40 G N 1.152 110.208 108.800 0.427 0.000 3.455 40 G HA2 0.470 4.431 3.960 0.002 0.000 0.250 40 G HA3 0.470 4.431 3.960 0.002 0.000 0.250 40 G C 0.448 175.444 174.900 0.161 0.000 1.071 40 G CA -0.484 44.779 45.100 0.271 0.000 1.812 40 G HN 0.687 nan 8.290 nan 0.000 0.643 41 L N 1.777 123.097 121.223 0.162 0.000 2.369 41 L HA 0.298 4.640 4.340 0.002 0.000 0.279 41 L C -1.876 175.071 176.870 0.127 0.000 1.108 41 L CA -1.522 53.414 54.840 0.159 0.000 0.852 41 L CB 1.189 43.347 42.059 0.166 0.000 1.169 41 L HN 0.061 nan 8.230 nan 0.000 0.452 42 P HA 0.051 nan 4.420 nan 0.000 0.268 42 P C -0.677 176.594 177.300 -0.048 0.000 1.208 42 P CA -0.390 62.769 63.100 0.099 0.000 0.777 42 P CB 0.539 32.297 31.700 0.096 0.000 0.875 43 A N 4.910 127.737 122.820 0.012 0.000 2.553 43 A HA 0.112 4.434 4.320 0.002 0.000 0.258 43 A C -1.290 176.029 177.584 -0.443 0.000 1.069 43 A CA -0.387 51.564 52.037 -0.143 0.000 0.767 43 A CB -0.996 17.896 19.000 -0.179 0.000 0.997 43 A HN 0.428 nan 8.150 nan 0.000 0.512 44 P HA -0.179 nan 4.420 nan 0.000 0.220 44 P C 1.349 178.494 177.300 -0.259 0.000 1.148 44 P CA 1.342 64.187 63.100 -0.425 0.000 0.803 44 P CB 0.175 31.874 31.700 -0.002 0.000 0.782 45 E N -0.114 119.982 120.200 -0.174 0.000 2.268 45 E HA -0.135 4.216 4.350 0.002 0.000 0.195 45 E C 1.457 177.995 176.600 -0.104 0.000 0.995 45 E CA 1.030 57.373 56.400 -0.094 0.000 0.836 45 E CB -1.065 28.587 29.700 -0.081 0.000 0.763 45 E HN 0.194 nan 8.360 nan 0.000 0.491 46 L N 0.532 121.633 121.223 -0.203 0.000 2.376 46 L HA 0.073 4.414 4.340 0.002 0.000 0.219 46 L C 0.499 177.352 176.870 -0.029 0.000 1.133 46 L CA 0.511 55.267 54.840 -0.141 0.000 0.816 46 L CB -0.751 41.208 42.059 -0.168 0.000 0.933 46 L HN -0.040 nan 8.230 nan 0.000 0.449 47 F N 2.054 122.028 119.950 0.039 0.000 2.571 47 F HA 0.142 4.671 4.527 0.003 0.000 0.384 47 F C -1.323 174.489 175.800 0.020 0.000 1.058 47 F CA -2.804 55.218 58.000 0.036 0.000 1.200 47 F CB -0.614 38.406 39.000 0.033 0.000 1.077 47 F HN 0.043 nan 8.300 nan 0.000 0.558 48 P HA 0.124 nan 4.420 nan 0.000 0.225 48 P C 0.234 177.577 177.300 0.072 0.000 1.813 48 P CA -0.144 63.022 63.100 0.109 0.000 1.013 48 P CB 0.229 31.976 31.700 0.078 0.000 1.961 49 K N 0.848 121.295 120.400 0.079 0.000 2.026 49 K HA -0.191 4.130 4.320 0.002 0.000 0.208 49 K C 1.839 178.446 176.600 0.011 0.000 1.048 49 K CA 1.465 57.775 56.287 0.039 0.000 0.929 49 K CB -0.014 32.516 32.500 0.051 0.000 0.713 49 K HN 0.198 nan 8.250 nan 0.000 0.439 50 E N 1.579 121.788 120.200 0.014 0.000 2.106 50 E HA -0.164 4.188 4.350 0.002 0.000 0.192 50 E C 1.566 178.161 176.600 -0.008 0.000 0.984 50 E CA 1.462 57.863 56.400 0.001 0.000 0.806 50 E CB 0.084 29.787 29.700 0.004 0.000 0.750 50 E HN 0.271 nan 8.360 nan 0.000 0.458 51 E N -0.025 120.171 120.200 -0.006 0.000 2.110 51 E HA -0.166 4.185 4.350 0.002 0.000 0.193 51 E C 2.053 178.632 176.600 -0.034 0.000 0.988 51 E CA 0.940 57.328 56.400 -0.020 0.000 0.804 51 E CB -0.216 29.474 29.700 -0.017 0.000 0.745 51 E HN 0.377 nan 8.360 nan 0.000 0.458 52 A N 1.650 124.451 122.820 -0.031 0.000 1.902 52 A HA -0.093 4.228 4.320 0.002 0.000 0.217 52 A C 2.421 179.975 177.584 -0.050 0.000 1.181 52 A CA 1.620 53.628 52.037 -0.049 0.000 0.623 52 A CB -0.607 18.363 19.000 -0.050 0.000 0.818 52 A HN 0.288 nan 8.150 nan 0.000 0.443 53 A N -0.807 121.990 122.820 -0.038 0.000 1.933 53 A HA -0.159 4.162 4.320 0.002 0.000 0.218 53 A C 2.087 179.649 177.584 -0.036 0.000 1.175 53 A CA 1.764 53.779 52.037 -0.036 0.000 0.628 53 A CB -0.397 18.587 19.000 -0.027 0.000 0.814 53 A HN 0.481 nan 8.150 nan 0.000 0.444 54 E N 0.095 120.274 120.200 -0.034 0.000 2.072 54 E HA -0.083 4.269 4.350 0.002 0.000 0.190 54 E C 2.303 178.877 176.600 -0.043 0.000 0.982 54 E CA 1.125 57.504 56.400 -0.034 0.000 0.803 54 E CB -0.312 29.370 29.700 -0.030 0.000 0.755 54 E HN 0.466 nan 8.360 nan 0.000 0.453 55 A N 1.376 124.164 122.820 -0.053 0.000 1.902 55 A HA -0.130 4.192 4.320 0.002 0.000 0.217 55 A C 2.444 179.987 177.584 -0.067 0.000 1.181 55 A CA 2.259 54.256 52.037 -0.067 0.000 0.623 55 A CB -0.742 18.206 19.000 -0.086 0.000 0.818 55 A HN 0.327 nan 8.150 nan 0.000 0.443 56 A N -0.109 122.672 122.820 -0.065 0.000 1.883 56 A HA 0.095 4.416 4.320 0.002 0.000 0.217 56 A C 2.538 180.089 177.584 -0.055 0.000 1.186 56 A CA 2.405 54.403 52.037 -0.065 0.000 0.624 56 A CB -1.117 17.846 19.000 -0.061 0.000 0.822 56 A HN 1.116 nan 8.150 nan 0.000 0.444 57 A N -0.460 122.333 122.820 -0.046 0.000 1.902 57 A HA -0.171 4.151 4.320 0.002 0.000 0.217 57 A C 2.262 179.824 177.584 -0.036 0.000 1.181 57 A CA 1.803 53.817 52.037 -0.038 0.000 0.623 57 A CB -0.527 18.455 19.000 -0.031 0.000 0.818 57 A HN 0.572 nan 8.150 nan 0.000 0.443 58 R N -0.488 119.989 120.500 -0.038 0.000 2.105 58 R HA -0.132 4.210 4.340 0.002 0.000 0.239 58 R C 1.803 178.081 176.300 -0.037 0.000 1.135 58 R CA 1.714 57.794 56.100 -0.034 0.000 0.967 58 R CB -0.288 29.992 30.300 -0.034 0.000 0.861 58 R HN 0.439 nan 8.270 nan 0.000 0.442 59 I N 1.038 121.577 120.570 -0.051 0.000 2.163 59 I HA -0.246 3.926 4.170 0.002 0.000 0.240 59 I C 2.338 178.422 176.117 -0.056 0.000 1.081 59 I CA 1.323 62.585 61.300 -0.063 0.000 1.353 59 I CB -1.086 36.856 38.000 -0.097 0.000 1.054 59 I HN 0.272 nan 8.210 nan 0.000 0.407 60 L N -0.108 121.083 121.223 -0.054 0.000 2.141 60 L HA -0.130 4.212 4.340 0.002 0.000 0.209 60 L C 2.762 179.611 176.870 -0.035 0.000 1.094 60 L CA 1.019 55.831 54.840 -0.047 0.000 0.763 60 L CB -0.417 41.614 42.059 -0.047 0.000 0.908 60 L HN 0.186 nan 8.230 nan 0.000 0.437 61 R N -0.266 120.215 120.500 -0.031 0.000 2.062 61 R HA -0.049 4.293 4.340 0.002 0.000 0.226 61 R C 1.772 178.060 176.300 -0.019 0.000 1.125 61 R CA 0.988 57.074 56.100 -0.024 0.000 0.966 61 R CB -0.053 30.235 30.300 -0.021 0.000 0.861 61 R HN 0.372 nan 8.270 nan 0.000 0.433 62 E N 0.035 120.224 120.200 -0.019 0.000 2.472 62 E HA 0.012 4.363 4.350 0.002 0.000 0.196 62 E C 0.372 176.967 176.600 -0.009 0.000 1.033 62 E CA 0.466 56.859 56.400 -0.012 0.000 0.886 62 E CB 0.597 30.292 29.700 -0.008 0.000 0.944 62 E HN 0.175 nan 8.360 nan 0.000 0.492 63 K N -0.679 119.710 120.400 -0.018 0.000 2.684 63 K HA 0.147 4.468 4.320 0.002 0.000 0.189 63 K C 1.195 177.775 176.600 -0.033 0.000 1.154 63 K CA -0.030 56.247 56.287 -0.017 0.000 1.109 63 K CB 1.234 33.725 32.500 -0.015 0.000 0.826 63 K HN 0.021 nan 8.250 nan 0.000 0.501 64 G N 2.337 111.118 108.800 -0.032 0.000 2.450 64 G HA2 -0.299 3.662 3.960 0.002 0.000 0.220 64 G HA3 -0.299 3.662 3.960 0.002 0.000 0.220 64 G C 1.420 176.299 174.900 -0.035 0.000 1.130 64 G CA 1.146 46.223 45.100 -0.038 0.000 0.760 64 G HN 0.399 nan 8.290 nan 0.000 0.557 65 E N 0.929 121.114 120.200 -0.025 0.000 2.208 65 E HA -0.066 4.285 4.350 0.002 0.000 0.193 65 E C 2.421 179.010 176.600 -0.019 0.000 0.988 65 E CA 1.301 57.690 56.400 -0.019 0.000 0.828 65 E CB -0.811 28.884 29.700 -0.010 0.000 0.763 65 E HN 0.410 nan 8.360 nan 0.000 0.478 66 V N 0.586 120.488 119.914 -0.020 0.000 2.725 66 V HA 0.207 4.329 4.120 0.002 0.000 0.247 66 V C 2.283 178.347 176.094 -0.049 0.000 1.058 66 V CA 1.383 63.671 62.300 -0.020 0.000 1.080 66 V CB -0.060 31.767 31.823 0.006 0.000 0.713 66 V HN 0.288 nan 8.190 nan 0.000 0.465 67 A N -0.071 122.708 122.820 -0.069 0.000 1.969 67 A HA 0.013 4.334 4.320 0.002 0.000 0.218 67 A C 1.932 179.481 177.584 -0.058 0.000 1.169 67 A CA 1.800 53.783 52.037 -0.090 0.000 0.635 67 A CB -0.412 18.526 19.000 -0.103 0.000 0.810 67 A HN 0.505 nan 8.150 nan 0.000 0.445 68 L N -1.216 119.976 121.223 -0.052 0.000 2.554 68 L HA 0.246 4.588 4.340 0.002 0.000 0.225 68 L C 0.860 177.686 176.870 -0.073 0.000 1.104 68 L CA 0.615 55.421 54.840 -0.057 0.000 0.866 68 L CB -0.462 41.563 42.059 -0.056 0.000 1.047 68 L HN 0.450 nan 8.230 nan 0.000 0.468 69 Q N -1.334 118.433 119.800 -0.055 0.000 2.212 69 Q HA 0.213 4.555 4.340 0.002 0.000 0.238 69 Q C -0.971 175.016 176.000 -0.021 0.000 0.955 69 Q CA -0.416 55.352 55.803 -0.058 0.000 0.906 69 Q CB 0.674 29.404 28.738 -0.013 0.000 1.215 69 Q HN 0.067 nan 8.270 nan 0.000 0.478 70 Y N 0.531 120.861 120.300 0.051 0.000 2.788 70 Y HA 0.229 4.780 4.550 0.001 0.000 0.341 70 Y C 0.620 176.397 175.900 -0.204 0.000 1.258 70 Y CA 0.967 59.097 58.100 0.051 0.000 1.503 70 Y CB 0.557 39.068 38.460 0.085 0.000 1.325 70 Y HN 0.574 nan 8.280 nan 0.000 0.614 71 S N 2.961 118.396 115.700 -0.441 0.000 2.588 71 S HA 0.659 5.131 4.470 0.002 0.000 0.275 71 S C -3.140 171.234 174.600 -0.377 0.000 1.130 71 S CA -1.830 56.091 58.200 -0.466 0.000 0.855 71 S CB 1.811 64.689 63.200 -0.536 0.000 1.116 71 S HN 0.253 nan 8.310 nan 0.000 0.472 72 P HA 0.182 nan 4.420 nan 0.000 0.264 72 P C 0.786 178.099 177.300 0.021 0.000 1.193 72 P CA 0.038 63.115 63.100 -0.039 0.000 0.763 72 P CB 0.248 31.943 31.700 -0.010 0.000 0.810 73 T N 1.791 116.386 114.554 0.068 0.000 2.649 73 T HA -0.249 4.102 4.350 0.002 0.000 0.268 73 T C 1.259 176.024 174.700 0.109 0.000 1.036 73 T CA 1.842 64.010 62.100 0.115 0.000 1.157 73 T CB -0.535 68.378 68.868 0.076 0.000 0.861 73 T HN 0.526 nan 8.240 nan 0.000 0.445 74 E N 0.513 120.759 120.200 0.076 0.000 2.204 74 E HA 0.303 4.655 4.350 0.002 0.000 0.194 74 E C 1.126 177.784 176.600 0.096 0.000 0.989 74 E CA 0.734 57.180 56.400 0.076 0.000 0.824 74 E CB -0.187 29.542 29.700 0.049 0.000 0.756 74 E HN 0.669 nan 8.360 nan 0.000 0.477 75 G N -0.681 108.181 108.800 0.103 0.000 2.375 75 G HA2 -0.148 3.813 3.960 0.002 0.000 0.663 75 G HA3 -0.148 3.813 3.960 0.002 0.000 0.663 75 G C -1.474 173.505 174.900 0.132 0.000 1.391 75 G CA -0.760 44.421 45.100 0.135 0.000 0.949 75 G HN 0.079 nan 8.290 nan 0.000 0.646 76 Y N 1.931 122.235 120.300 0.007 0.000 2.802 76 Y HA 0.337 4.888 4.550 0.001 0.000 0.333 76 Y C 1.678 177.544 175.900 -0.057 0.000 1.244 76 Y CA 1.078 59.157 58.100 -0.034 0.000 1.558 76 Y CB 0.675 39.109 38.460 -0.042 0.000 1.233 76 Y HN 1.214 nan 8.280 nan 0.000 0.547 77 A N 7.497 130.140 122.820 -0.295 0.000 1.892 77 A HA -0.152 4.170 4.320 0.002 0.000 0.218 77 A C -0.359 176.953 177.584 -0.453 0.000 1.188 77 A CA 1.755 53.610 52.037 -0.302 0.000 0.631 77 A CB -1.762 17.113 19.000 -0.209 0.000 0.822 77 A HN 0.722 nan 8.150 nan 0.000 0.447 78 P HA -0.102 nan 4.420 nan 0.000 0.220 78 P C 1.584 178.399 177.300 -0.808 0.000 1.148 78 P CA 0.544 63.154 63.100 -0.817 0.000 0.803 78 P CB -0.059 31.007 31.700 -1.055 0.000 0.782 79 L N -0.729 120.118 121.223 -0.626 0.000 2.072 79 L HA -0.099 4.242 4.340 0.002 0.000 0.205 79 L C 2.415 179.288 176.870 0.005 0.000 1.079 79 L CA 1.499 56.231 54.840 -0.180 0.000 0.752 79 L CB -0.260 41.846 42.059 0.078 0.000 0.906 79 L HN -0.060 nan 8.230 nan 0.000 0.436 80 R N -0.272 120.200 120.500 -0.047 0.000 2.091 80 R HA -0.166 4.175 4.340 0.002 0.000 0.238 80 R C 2.204 178.499 176.300 -0.008 0.000 1.136 80 R CA 1.380 57.476 56.100 -0.006 0.000 0.959 80 R CB -0.456 29.832 30.300 -0.020 0.000 0.856 80 R HN 0.395 nan 8.270 nan 0.000 0.437 81 A N 0.957 123.752 122.820 -0.041 0.000 1.898 81 A HA -0.179 4.143 4.320 0.002 0.000 0.216 81 A C 1.982 179.607 177.584 0.068 0.000 1.181 81 A CA 1.018 53.051 52.037 -0.008 0.000 0.620 81 A CB -0.636 18.340 19.000 -0.040 0.000 0.819 81 A HN 0.349 nan 8.150 nan 0.000 0.442 82 F N 0.787 120.718 119.950 -0.032 0.000 2.069 82 F HA -0.187 4.341 4.527 0.002 0.000 0.298 82 F C 2.226 178.095 175.800 0.116 0.000 1.113 82 F CA 2.187 60.222 58.000 0.060 0.000 1.214 82 F CB -0.279 38.784 39.000 0.105 0.000 0.978 82 F HN 0.034 nan 8.300 nan 0.000 0.474 83 V N 0.661 120.735 119.914 0.267 0.000 2.343 83 V HA -0.316 3.805 4.120 0.002 0.000 0.247 83 V C 2.756 178.814 176.094 -0.059 0.000 1.051 83 V CA 1.794 64.140 62.300 0.077 0.000 1.036 83 V CB -1.601 30.091 31.823 -0.219 0.000 0.654 83 V HN 0.517 nan 8.190 nan 0.000 0.451 84 A N -0.279 122.513 122.820 -0.046 0.000 1.908 84 A HA -0.281 4.040 4.320 0.002 0.000 0.218 84 A C 2.181 179.747 177.584 -0.030 0.000 1.181 84 A CA 2.195 54.203 52.037 -0.049 0.000 0.627 84 A CB -0.514 18.470 19.000 -0.026 0.000 0.818 84 A HN 0.545 nan 8.150 nan 0.000 0.445 85 E N -1.549 118.638 120.200 -0.021 0.000 2.152 85 E HA -0.158 4.194 4.350 0.002 0.000 0.192 85 E C 1.577 178.194 176.600 0.028 0.000 0.983 85 E CA 1.102 57.493 56.400 -0.015 0.000 0.818 85 E CB -0.263 29.415 29.700 -0.037 0.000 0.758 85 E HN 0.769 nan 8.360 nan 0.000 0.467 86 W N 0.299 121.461 121.300 -0.230 0.000 2.407 86 W HA -0.055 4.606 4.660 0.002 0.000 0.305 86 W C 1.345 177.810 176.519 -0.091 0.000 1.196 86 W CA 0.861 58.099 57.345 -0.178 0.000 1.311 86 W CB -0.231 29.103 29.460 -0.209 0.000 1.135 86 W HN 0.042 nan 8.180 nan 0.000 0.514 87 I N 0.593 121.076 120.570 -0.145 0.000 2.716 87 I HA 0.181 4.352 4.170 0.002 0.000 0.259 87 I C 1.709 177.739 176.117 -0.145 0.000 1.172 87 I CA 1.580 62.690 61.300 -0.316 0.000 1.478 87 I CB -1.763 35.987 38.000 -0.416 0.000 1.104 87 I HN 0.220 nan 8.210 nan 0.000 0.439 88 G N 2.068 110.833 108.800 -0.058 0.000 2.325 88 G HA2 -0.087 3.875 3.960 0.002 0.000 0.248 88 G HA3 -0.087 3.875 3.960 0.002 0.000 0.248 88 G C 0.100 175.015 174.900 0.024 0.000 1.108 88 G CA 0.273 45.369 45.100 -0.007 0.000 0.881 88 G HN 0.407 nan 8.290 nan 0.000 0.494 89 V N -3.990 115.929 119.914 0.009 0.000 3.105 89 V HA 0.896 5.018 4.120 0.002 0.000 0.311 89 V C 0.462 176.561 176.094 0.008 0.000 1.282 89 V CA -1.901 60.419 62.300 0.033 0.000 1.065 89 V CB 1.209 33.069 31.823 0.061 0.000 1.136 89 V HN 0.394 nan 8.190 nan 0.000 0.469 90 R N 0.606 121.112 120.500 0.010 0.000 2.410 90 R HA 0.426 4.767 4.340 0.002 0.000 0.288 90 R C -1.973 174.323 176.300 -0.006 0.000 1.051 90 R CA -1.440 54.659 56.100 -0.002 0.000 1.021 90 R CB 1.002 31.299 30.300 -0.005 0.000 1.032 90 R HN 0.517 nan 8.270 nan 0.000 0.481 91 P HA -0.250 nan 4.420 nan 0.000 0.217 91 P C 0.510 177.806 177.300 -0.007 0.000 1.148 91 P CA 1.370 64.460 63.100 -0.015 0.000 0.828 91 P CB 0.141 31.826 31.700 -0.026 0.000 0.783 92 E N -0.020 120.176 120.200 -0.008 0.000 2.418 92 E HA -0.135 4.217 4.350 0.002 0.000 0.197 92 E C 1.356 177.959 176.600 0.005 0.000 1.026 92 E CA 0.736 57.133 56.400 -0.004 0.000 0.862 92 E CB -0.689 29.004 29.700 -0.012 0.000 0.799 92 E HN 0.321 nan 8.360 nan 0.000 0.518 93 E N 0.716 120.922 120.200 0.010 0.000 2.479 93 E HA 0.081 4.432 4.350 0.002 0.000 0.193 93 E C -0.394 176.231 176.600 0.043 0.000 1.049 93 E CA -0.062 56.354 56.400 0.028 0.000 0.870 93 E CB 0.942 30.666 29.700 0.040 0.000 0.944 93 E HN 0.081 nan 8.360 nan 0.000 0.492 94 V N 2.059 121.994 119.914 0.036 0.000 2.483 94 V HA 0.272 4.393 4.120 0.002 0.000 0.295 94 V C -0.465 175.682 176.094 0.088 0.000 1.035 94 V CA -0.820 61.515 62.300 0.059 0.000 0.896 94 V CB 1.670 33.502 31.823 0.014 0.000 0.986 94 V HN 0.051 nan 8.190 nan 0.000 0.447 95 L N 6.107 127.410 121.223 0.133 0.000 2.356 95 L HA 0.628 4.969 4.340 0.002 0.000 0.277 95 L C -0.629 176.357 176.870 0.194 0.000 0.996 95 L CA -0.147 54.775 54.840 0.136 0.000 0.822 95 L CB 1.360 43.486 42.059 0.113 0.000 1.256 95 L HN 0.403 nan 8.230 nan 0.000 0.413 96 I N 4.153 124.837 120.570 0.190 0.000 2.416 96 I HA 0.337 4.508 4.170 0.002 0.000 0.288 96 I C 0.753 176.981 176.117 0.185 0.000 1.051 96 I CA 0.052 61.493 61.300 0.235 0.000 1.375 96 I CB 0.830 38.971 38.000 0.234 0.000 1.407 96 I HN 0.801 nan 8.210 nan 0.000 0.516 97 T N 1.213 115.872 114.554 0.176 0.000 2.940 97 T HA 0.430 4.781 4.350 0.002 0.000 0.288 97 T C 0.208 174.974 174.700 0.110 0.000 1.045 97 T CA -0.658 61.512 62.100 0.118 0.000 1.018 97 T CB 1.411 70.326 68.868 0.078 0.000 1.151 97 T HN 0.474 nan 8.240 nan 0.000 0.529 98 T N 2.004 116.606 114.554 0.079 0.000 3.945 98 T HA 0.580 4.932 4.350 0.002 0.000 0.306 98 T C 0.713 175.446 174.700 0.055 0.000 1.475 98 T CA 0.320 62.460 62.100 0.066 0.000 1.177 98 T CB -1.035 67.858 68.868 0.042 0.000 1.272 98 T HN 1.372 nan 8.240 nan 0.000 0.930 99 G N 1.195 110.033 108.800 0.064 0.000 2.712 99 G HA2 -0.197 3.764 3.960 0.002 0.000 0.686 99 G HA3 -0.197 3.764 3.960 0.002 0.000 0.686 99 G C 0.772 175.676 174.900 0.008 0.000 1.321 99 G CA -0.442 44.682 45.100 0.041 0.000 0.813 99 G HN 0.308 nan 8.290 nan 0.000 0.599 100 S N -0.169 115.509 115.700 -0.036 0.000 2.442 100 S HA -0.141 4.330 4.470 0.002 0.000 0.236 100 S C 2.249 176.855 174.600 0.011 0.000 1.007 100 S CA 1.973 60.136 58.200 -0.061 0.000 0.965 100 S CB -0.123 62.998 63.200 -0.132 0.000 0.773 100 S HN 0.805 nan 8.310 nan 0.000 0.504 101 Q N 2.005 121.830 119.800 0.042 0.000 2.112 101 Q HA -0.192 4.149 4.340 0.002 0.000 0.206 101 Q C 2.051 178.066 176.000 0.026 0.000 0.987 101 Q CA 1.950 57.782 55.803 0.049 0.000 0.858 101 Q CB -0.494 28.273 28.738 0.048 0.000 0.905 101 Q HN 0.691 nan 8.270 nan 0.000 0.420 102 Q N -1.146 118.671 119.800 0.028 0.000 2.084 102 Q HA -0.147 4.195 4.340 0.002 0.000 0.202 102 Q C 1.885 177.911 176.000 0.045 0.000 0.978 102 Q CA 1.505 57.328 55.803 0.033 0.000 0.844 102 Q CB -0.338 28.422 28.738 0.037 0.000 0.898 102 Q HN 0.455 nan 8.270 nan 0.000 0.426 103 A N 1.046 123.890 122.820 0.039 0.000 1.892 103 A HA -0.211 4.110 4.320 0.002 0.000 0.218 103 A C 2.070 179.704 177.584 0.084 0.000 1.188 103 A CA 1.620 53.684 52.037 0.046 0.000 0.631 103 A CB -0.883 18.121 19.000 0.006 0.000 0.822 103 A HN 0.480 nan 8.150 nan 0.000 0.447 104 L N -0.704 120.574 121.223 0.092 0.000 2.046 104 L HA -0.223 4.118 4.340 0.002 0.000 0.208 104 L C 2.458 179.461 176.870 0.221 0.000 1.077 104 L CA 1.837 56.772 54.840 0.158 0.000 0.747 104 L CB -0.727 41.305 42.059 -0.044 0.000 0.896 104 L HN 0.509 nan 8.230 nan 0.000 0.432 105 D N 0.350 120.814 120.400 0.106 0.000 2.104 105 D HA -0.199 4.442 4.640 0.002 0.000 0.194 105 D C 2.225 178.602 176.300 0.128 0.000 0.994 105 D CA 1.441 55.505 54.000 0.106 0.000 0.830 105 D CB -0.023 40.806 40.800 0.048 0.000 0.959 105 D HN 0.219 nan 8.370 nan 0.000 0.452 106 L N -0.425 120.860 121.223 0.104 0.000 2.056 106 L HA -0.095 4.247 4.340 0.002 0.000 0.207 106 L C 2.664 179.597 176.870 0.105 0.000 1.078 106 L CA 0.451 55.342 54.840 0.084 0.000 0.749 106 L CB -0.520 41.578 42.059 0.065 0.000 0.901 106 L HN 0.031 nan 8.230 nan 0.000 0.433 107 V N 0.656 120.651 119.914 0.134 0.000 2.287 107 V HA -0.251 3.870 4.120 0.002 0.000 0.248 107 V C 2.671 178.873 176.094 0.181 0.000 1.053 107 V CA 2.174 64.552 62.300 0.129 0.000 1.027 107 V CB -1.255 30.517 31.823 -0.085 0.000 0.646 107 V HN 0.580 nan 8.190 nan 0.000 0.447 108 G N -0.576 108.372 108.800 0.247 0.000 2.446 108 G HA2 -0.281 3.680 3.960 0.002 0.000 0.217 108 G HA3 -0.281 3.680 3.960 0.002 0.000 0.217 108 G C 1.662 176.665 174.900 0.171 0.000 1.168 108 G CA 1.034 46.297 45.100 0.271 0.000 0.771 108 G HN 0.468 nan 8.290 nan 0.000 0.551 109 K N -0.321 120.152 120.400 0.123 0.000 2.063 109 K HA -0.039 4.282 4.320 0.002 0.000 0.208 109 K C 2.553 179.153 176.600 -0.001 0.000 1.048 109 K CA 1.252 57.571 56.287 0.055 0.000 0.928 109 K CB -0.251 32.272 32.500 0.038 0.000 0.713 109 K HN 0.235 nan 8.250 nan 0.000 0.442 110 V N -0.034 119.852 119.914 -0.045 0.000 2.591 110 V HA -0.127 3.994 4.120 0.002 0.000 0.249 110 V C 1.426 177.277 176.094 -0.404 0.000 1.053 110 V CA 1.511 63.656 62.300 -0.258 0.000 1.068 110 V CB -0.266 31.328 31.823 -0.382 0.000 0.689 110 V HN 0.180 nan 8.190 nan 0.000 0.462 111 F N -1.225 118.734 119.950 0.014 0.000 2.694 111 F HA 0.397 4.926 4.527 0.003 0.000 0.292 111 F C 0.738 176.576 175.800 0.064 0.000 1.121 111 F CA -0.001 58.036 58.000 0.061 0.000 1.352 111 F CB 0.381 39.461 39.000 0.134 0.000 1.107 111 F HN -0.062 nan 8.300 nan 0.000 0.597 112 L N 0.819 122.157 121.223 0.190 0.000 2.317 112 L HA 0.455 4.796 4.340 0.002 0.000 0.281 112 L C -0.842 176.044 176.870 0.027 0.000 1.024 112 L CA -0.764 54.124 54.840 0.081 0.000 0.810 112 L CB 1.384 43.466 42.059 0.039 0.000 1.240 112 L HN -0.120 nan 8.230 nan 0.000 0.427 113 D N 0.651 121.048 120.400 -0.004 0.000 2.450 113 D HA 0.174 4.815 4.640 0.002 0.000 0.238 113 D C -0.659 175.621 176.300 -0.033 0.000 1.020 113 D CA -0.612 53.380 54.000 -0.013 0.000 1.010 113 D CB 1.817 42.611 40.800 -0.011 0.000 1.342 113 D HN 0.436 nan 8.370 nan 0.000 0.530 114 E N -0.176 120.009 120.200 -0.025 0.000 2.493 114 E HA 0.235 4.586 4.350 0.002 0.000 0.255 114 E C 0.798 177.373 176.600 -0.040 0.000 0.999 114 E CA 0.623 57.004 56.400 -0.032 0.000 0.934 114 E CB -0.007 29.684 29.700 -0.015 0.000 0.940 114 E HN 0.684 nan 8.360 nan 0.000 0.473 115 G N 3.292 112.056 108.800 -0.060 0.000 2.179 115 G HA2 -0.333 3.629 3.960 0.002 0.000 0.260 115 G HA3 -0.333 3.629 3.960 0.002 0.000 0.260 115 G C 0.182 175.037 174.900 -0.074 0.000 0.977 115 G CA 0.411 45.474 45.100 -0.060 0.000 0.641 115 G HN 0.810 nan 8.290 nan 0.000 0.533 116 S N 1.402 117.049 115.700 -0.087 0.000 2.548 116 S HA 0.627 5.098 4.470 0.002 0.000 0.277 116 S C -1.880 172.629 174.600 -0.151 0.000 1.315 116 S CA -0.927 57.218 58.200 -0.091 0.000 1.050 116 S CB 2.152 65.312 63.200 -0.066 0.000 0.918 116 S HN 0.353 nan 8.310 nan 0.000 0.497 117 P HA 0.277 nan 4.420 nan 0.000 0.276 117 P C -0.768 176.374 177.300 -0.265 0.000 1.230 117 P CA -0.372 62.625 63.100 -0.172 0.000 0.776 117 P CB 1.215 32.850 31.700 -0.108 0.000 0.888 118 V N 5.229 124.939 119.914 -0.338 0.000 2.656 118 V HA 0.483 4.604 4.120 0.002 0.000 0.307 118 V C -0.905 175.039 176.094 -0.250 0.000 1.051 118 V CA -1.220 60.783 62.300 -0.496 0.000 0.893 118 V CB 1.960 33.326 31.823 -0.761 0.000 0.999 118 V HN 0.413 nan 8.190 nan 0.000 0.426 119 L N 7.841 128.921 121.223 -0.238 0.000 2.296 119 L HA 0.796 5.137 4.340 0.002 0.000 0.286 119 L C -0.821 176.081 176.870 0.053 0.000 1.023 119 L CA -0.191 54.619 54.840 -0.051 0.000 0.812 119 L CB 1.172 43.206 42.059 -0.040 0.000 1.223 119 L HN 0.787 nan 8.230 nan 0.000 0.421 120 L N 0.871 122.172 121.223 0.131 0.000 2.600 120 L HA 0.667 5.008 4.340 0.002 0.000 0.257 120 L C -1.118 175.817 176.870 0.108 0.000 1.048 120 L CA -1.045 53.916 54.840 0.201 0.000 0.869 120 L CB 1.957 44.234 42.059 0.364 0.000 1.482 120 L HN 0.476 nan 8.230 nan 0.000 0.408 121 E N 0.694 120.935 120.200 0.070 0.000 2.374 121 E HA 0.571 4.922 4.350 0.002 0.000 0.260 121 E C -0.475 176.087 176.600 -0.064 0.000 1.101 121 E CA -0.433 55.959 56.400 -0.013 0.000 0.907 121 E CB 1.495 31.153 29.700 -0.069 0.000 1.014 121 E HN 0.691 nan 8.360 nan 0.000 0.427 122 A N 3.696 126.470 122.820 -0.076 0.000 2.277 122 A HA 0.410 4.732 4.320 0.002 0.000 0.318 122 A C -2.314 175.108 177.584 -0.270 0.000 1.339 122 A CA -1.492 50.458 52.037 -0.145 0.000 0.875 122 A CB 0.273 19.348 19.000 0.125 0.000 1.158 122 A HN 0.330 nan 8.150 nan 0.000 0.514 123 P HA 0.510 nan 4.420 nan 0.000 0.278 123 P C -0.066 176.951 177.300 -0.472 0.000 1.266 123 P CA -0.218 62.295 63.100 -0.979 0.000 0.807 123 P CB 1.869 32.760 31.700 -1.349 0.000 1.094 124 S N -0.963 114.568 115.700 -0.282 0.000 2.819 124 S HA 0.371 4.843 4.470 0.002 0.000 0.299 124 S C -1.455 173.219 174.600 0.124 0.000 1.192 124 S CA -0.555 57.615 58.200 -0.051 0.000 0.847 124 S CB 0.101 63.357 63.200 0.093 0.000 1.224 124 S HN 0.345 nan 8.310 nan 0.000 0.537 125 Y N 2.617 122.982 120.300 0.108 0.000 2.569 125 Y HA 0.226 4.777 4.550 0.002 0.000 0.332 125 Y C 1.203 177.085 175.900 -0.030 0.000 1.120 125 Y CA 0.064 58.239 58.100 0.125 0.000 1.416 125 Y CB 0.712 39.281 38.460 0.182 0.000 1.210 125 Y HN 0.759 nan 8.280 nan 0.000 0.528 126 M N 5.471 124.824 119.600 -0.412 0.000 2.149 126 M HA -0.001 4.480 4.480 0.002 0.000 0.261 126 M C 1.858 177.657 176.300 -0.835 0.000 1.064 126 M CA 2.283 57.182 55.300 -0.669 0.000 1.102 126 M CB -1.051 31.067 32.600 -0.803 0.000 1.369 126 M HN 0.803 nan 8.290 nan 0.000 0.408 127 G N -0.715 107.223 108.800 -1.436 0.000 2.422 127 G HA2 -0.064 3.897 3.960 0.002 0.000 0.218 127 G HA3 -0.064 3.897 3.960 0.002 0.000 0.218 127 G C 1.559 175.959 174.900 -0.833 0.000 1.146 127 G CA 1.042 45.490 45.100 -1.087 0.000 0.769 127 G HN 0.702 nan 8.290 nan 0.000 0.547 128 A N 0.842 123.107 122.820 -0.925 0.000 1.873 128 A HA 0.073 4.395 4.320 0.002 0.000 0.215 128 A C 2.391 179.270 177.584 -1.174 0.000 1.186 128 A CA 1.254 52.626 52.037 -1.108 0.000 0.616 128 A CB -0.379 17.912 19.000 -1.182 0.000 0.823 128 A HN 0.351 nan 8.150 nan 0.000 0.442 129 I N -0.658 119.505 120.570 -0.677 0.000 2.163 129 I HA -0.333 3.838 4.170 0.002 0.000 0.243 129 I C 2.793 178.754 176.117 -0.261 0.000 1.085 129 I CA 1.979 63.032 61.300 -0.412 0.000 1.347 129 I CB -0.336 37.386 38.000 -0.463 0.000 1.044 129 I HN 0.429 nan 8.210 nan 0.000 0.408 130 Q N 1.146 120.739 119.800 -0.345 0.000 2.061 130 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 130 Q C 2.195 178.099 176.000 -0.160 0.000 0.984 130 Q CA 2.427 58.093 55.803 -0.228 0.000 0.846 130 Q CB -0.395 28.182 28.738 -0.268 0.000 0.902 130 Q HN 0.497 nan 8.270 nan 0.000 0.421 131 A N -0.282 122.379 122.820 -0.266 0.000 1.883 131 A HA -0.166 4.156 4.320 0.002 0.000 0.217 131 A C 1.830 179.475 177.584 0.102 0.000 1.186 131 A CA 1.758 53.713 52.037 -0.137 0.000 0.624 131 A CB -0.989 17.877 19.000 -0.223 0.000 0.822 131 A HN 0.496 nan 8.150 nan 0.000 0.444 132 F N -0.496 119.493 119.950 0.066 0.000 2.186 132 F HA 0.011 4.539 4.527 0.002 0.000 0.299 132 F C 2.289 178.147 175.800 0.097 0.000 1.090 132 F CA 0.868 58.935 58.000 0.113 0.000 1.307 132 F CB -1.113 37.994 39.000 0.179 0.000 1.019 132 F HN 0.203 nan 8.300 nan 0.000 0.489 133 R N 0.778 121.501 120.500 0.371 0.000 2.127 133 R HA -0.164 4.177 4.340 0.002 0.000 0.238 133 R C 2.315 178.687 176.300 0.120 0.000 1.134 133 R CA 0.763 57.027 56.100 0.274 0.000 0.975 133 R CB -0.542 29.904 30.300 0.243 0.000 0.865 133 R HN 0.311 nan 8.270 nan 0.000 0.447 134 L N 0.589 121.870 121.223 0.096 0.000 2.137 134 L HA -0.242 4.099 4.340 0.002 0.000 0.213 134 L C 1.201 178.099 176.870 0.048 0.000 1.085 134 L CA 1.630 56.503 54.840 0.055 0.000 0.760 134 L CB -0.177 41.912 42.059 0.049 0.000 0.893 134 L HN 0.405 nan 8.230 nan 0.000 0.434 135 Q N -0.546 119.289 119.800 0.057 0.000 2.360 135 Q HA 0.125 4.467 4.340 0.002 0.000 0.202 135 Q C 1.196 177.191 176.000 -0.009 0.000 0.915 135 Q CA 0.757 56.577 55.803 0.028 0.000 0.943 135 Q CB 0.263 29.026 28.738 0.042 0.000 1.064 135 Q HN 0.578 nan 8.270 nan 0.000 0.511 136 G N 3.007 111.798 108.800 -0.015 0.000 2.246 136 G HA2 -0.204 3.757 3.960 0.002 0.000 0.273 136 G HA3 -0.204 3.757 3.960 0.002 0.000 0.273 136 G C -2.275 172.557 174.900 -0.113 0.000 1.055 136 G CA -0.001 45.075 45.100 -0.040 0.000 0.851 136 G HN 0.255 nan 8.290 nan 0.000 0.500 137 P HA 0.306 nan 4.420 nan 0.000 0.276 137 P C -0.070 176.987 177.300 -0.404 0.000 1.261 137 P CA -0.373 62.515 63.100 -0.352 0.000 0.800 137 P CB 0.777 32.148 31.700 -0.548 0.000 1.066 138 R N 0.942 121.254 120.500 -0.313 0.000 2.202 138 R HA 0.354 4.695 4.340 0.002 0.000 0.334 138 R C -0.304 175.829 176.300 -0.279 0.000 1.036 138 R CA -0.403 55.571 56.100 -0.211 0.000 0.878 138 R CB -0.125 30.115 30.300 -0.100 0.000 1.067 138 R HN 0.415 nan 8.270 nan 0.000 0.457 139 F N 4.008 123.949 119.950 -0.015 0.000 2.471 139 F HA 0.165 4.693 4.527 0.002 0.000 0.365 139 F C 0.581 176.374 175.800 -0.011 0.000 1.095 139 F CA -0.306 57.686 58.000 -0.013 0.000 1.174 139 F CB 0.512 39.523 39.000 0.017 0.000 1.105 139 F HN 0.199 nan 8.300 nan 0.000 0.535 140 L N 4.002 125.303 121.223 0.131 0.000 2.295 140 L HA 0.523 4.865 4.340 0.002 0.000 0.285 140 L C 0.235 177.166 176.870 0.102 0.000 1.035 140 L CA -0.597 54.291 54.840 0.081 0.000 0.806 140 L CB 1.588 43.656 42.059 0.016 0.000 1.214 140 L HN 0.633 nan 8.230 nan 0.000 0.426 141 T N 0.177 114.785 114.554 0.090 0.000 2.924 141 T HA 0.767 5.118 4.350 0.002 0.000 0.291 141 T C -0.656 174.077 174.700 0.055 0.000 1.045 141 T CA -0.784 61.364 62.100 0.079 0.000 1.015 141 T CB 2.417 71.338 68.868 0.088 0.000 1.103 141 T HN 0.237 nan 8.240 nan 0.000 0.496 142 V N 2.331 122.270 119.914 0.041 0.000 2.841 142 V HA 0.551 4.672 4.120 0.002 0.000 0.310 142 V C -2.589 173.518 176.094 0.022 0.000 1.090 142 V CA -2.417 59.899 62.300 0.028 0.000 0.930 142 V CB 2.594 34.426 31.823 0.015 0.000 1.014 142 V HN 0.848 nan 8.190 nan 0.000 0.425 143 P HA 0.250 nan 4.420 nan 0.000 0.268 143 P C -0.974 176.319 177.300 -0.011 0.000 1.204 143 P CA 0.181 63.298 63.100 0.029 0.000 0.768 143 P CB 0.560 32.285 31.700 0.042 0.000 0.842 144 A N 3.091 125.885 122.820 -0.043 0.000 2.301 144 A HA 0.730 5.052 4.320 0.002 0.000 0.312 144 A C 0.452 177.997 177.584 -0.065 0.000 1.182 144 A CA -0.032 51.950 52.037 -0.091 0.000 0.826 144 A CB 0.576 19.462 19.000 -0.191 0.000 1.134 144 A HN 0.588 nan 8.150 nan 0.000 0.501 145 G N -0.163 108.601 108.800 -0.059 0.000 3.015 145 G HA2 0.468 4.429 3.960 0.002 0.000 0.281 145 G HA3 0.468 4.429 3.960 0.002 0.000 0.281 145 G C 0.206 175.084 174.900 -0.037 0.000 1.386 145 G CA -0.124 44.959 45.100 -0.028 0.000 0.959 145 G HN 0.620 nan 8.290 nan 0.000 0.522 146 E N -0.500 119.696 120.200 -0.006 0.000 2.347 146 E HA -0.020 4.332 4.350 0.002 0.000 0.196 146 E C 1.264 177.859 176.600 -0.008 0.000 1.008 146 E CA 0.973 57.375 56.400 0.004 0.000 0.852 146 E CB 0.149 29.869 29.700 0.034 0.000 0.783 146 E HN 0.548 nan 8.360 nan 0.000 0.505 147 E N -0.065 120.124 120.200 -0.019 0.000 2.411 147 E HA 0.283 4.635 4.350 0.002 0.000 0.204 147 E C 0.455 177.023 176.600 -0.053 0.000 1.059 147 E CA 0.068 56.448 56.400 -0.032 0.000 1.112 147 E CB 0.379 30.067 29.700 -0.021 0.000 1.168 147 E HN 0.320 nan 8.360 nan 0.000 0.445 148 G N 2.887 111.646 108.800 -0.068 0.000 2.542 148 G HA2 -0.226 3.736 3.960 0.002 0.000 0.235 148 G HA3 -0.226 3.736 3.960 0.002 0.000 0.235 148 G C -2.639 172.218 174.900 -0.071 0.000 1.286 148 G CA -0.843 44.205 45.100 -0.086 0.000 0.904 148 G HN 0.145 nan 8.290 nan 0.000 0.577 149 P HA 0.283 nan 4.420 nan 0.000 0.275 149 P C -0.824 176.456 177.300 -0.034 0.000 1.228 149 P CA -0.056 63.014 63.100 -0.050 0.000 0.786 149 P CB 0.877 32.549 31.700 -0.046 0.000 0.927 150 D N 2.599 122.986 120.400 -0.021 0.000 2.367 150 D HA 0.033 4.674 4.640 0.002 0.000 0.255 150 D C 1.238 177.531 176.300 -0.012 0.000 1.300 150 D CA 0.087 54.080 54.000 -0.012 0.000 0.959 150 D CB -0.100 40.699 40.800 -0.001 0.000 1.064 150 D HN 0.232 nan 8.370 nan 0.000 0.509 151 L N 2.671 123.884 121.223 -0.017 0.000 2.201 151 L HA -0.105 4.237 4.340 0.002 0.000 0.212 151 L C 1.711 178.573 176.870 -0.014 0.000 1.105 151 L CA 0.592 55.421 54.840 -0.018 0.000 0.775 151 L CB -0.114 41.931 42.059 -0.023 0.000 0.913 151 L HN 0.318 nan 8.230 nan 0.000 0.440 152 D N 0.761 121.155 120.400 -0.010 0.000 2.117 152 D HA -0.153 4.488 4.640 0.002 0.000 0.198 152 D C 2.257 178.555 176.300 -0.004 0.000 0.982 152 D CA 1.586 55.582 54.000 -0.007 0.000 0.828 152 D CB 0.094 40.891 40.800 -0.005 0.000 0.967 152 D HN 0.330 nan 8.370 nan 0.000 0.464 153 A N 1.144 123.964 122.820 -0.000 0.000 1.898 153 A HA -0.122 4.200 4.320 0.002 0.000 0.216 153 A C 2.161 179.746 177.584 0.002 0.000 1.181 153 A CA 0.792 52.831 52.037 0.004 0.000 0.620 153 A CB -0.666 18.341 19.000 0.011 0.000 0.819 153 A HN 0.192 nan 8.150 nan 0.000 0.442 154 L N 0.411 121.633 121.223 -0.002 0.000 1.971 154 L HA -0.224 4.118 4.340 0.002 0.000 0.215 154 L C 2.247 179.112 176.870 -0.008 0.000 1.072 154 L CA 2.860 57.697 54.840 -0.005 0.000 0.758 154 L CB -1.023 41.030 42.059 -0.009 0.000 0.889 154 L HN 0.625 nan 8.230 nan 0.000 0.433 155 E N -0.892 119.301 120.200 -0.011 0.000 2.108 155 E HA -0.286 4.065 4.350 0.002 0.000 0.203 155 E C 1.960 178.555 176.600 -0.010 0.000 1.022 155 E CA 1.789 58.181 56.400 -0.013 0.000 0.823 155 E CB -0.066 29.625 29.700 -0.015 0.000 0.744 155 E HN 0.562 nan 8.360 nan 0.000 0.456 156 E N -0.089 120.108 120.200 -0.006 0.000 2.150 156 E HA -0.122 4.229 4.350 0.002 0.000 0.193 156 E C 2.262 178.861 176.600 -0.002 0.000 0.985 156 E CA 0.773 57.172 56.400 -0.003 0.000 0.814 156 E CB -0.059 29.641 29.700 0.000 0.000 0.752 156 E HN 0.229 nan 8.360 nan 0.000 0.466 157 V N 1.235 121.149 119.914 -0.001 0.000 2.358 157 V HA -0.217 3.904 4.120 0.002 0.000 0.246 157 V C 2.235 178.325 176.094 -0.007 0.000 1.047 157 V CA 1.078 63.378 62.300 -0.001 0.000 1.035 157 V CB -0.359 31.464 31.823 0.001 0.000 0.658 157 V HN 0.181 nan 8.190 nan 0.000 0.452 158 L N -0.244 120.974 121.223 -0.009 0.000 2.456 158 L HA -0.060 4.282 4.340 0.002 0.000 0.224 158 L C 2.121 178.984 176.870 -0.011 0.000 1.148 158 L CA 1.542 56.375 54.840 -0.012 0.000 0.825 158 L CB -1.063 40.987 42.059 -0.015 0.000 0.937 158 L HN 0.314 nan 8.230 nan 0.000 0.450 159 K N -1.057 119.337 120.400 -0.009 0.000 2.432 159 K HA 0.008 4.330 4.320 0.002 0.000 0.196 159 K C 1.623 178.219 176.600 -0.007 0.000 1.038 159 K CA 0.572 56.854 56.287 -0.008 0.000 0.986 159 K CB 0.204 32.700 32.500 -0.007 0.000 0.782 159 K HN 0.207 nan 8.250 nan 0.000 0.485 160 R N -0.624 119.872 120.500 -0.007 0.000 2.513 160 R HA 0.177 4.519 4.340 0.002 0.000 0.245 160 R C -0.262 176.033 176.300 -0.008 0.000 0.908 160 R CA 0.127 56.224 56.100 -0.006 0.000 1.023 160 R CB 1.016 31.314 30.300 -0.003 0.000 1.338 160 R HN -0.062 nan 8.270 nan 0.000 0.575 161 E N 0.652 120.846 120.200 -0.011 0.000 2.340 161 E HA 0.300 4.651 4.350 0.002 0.000 0.273 161 E C -1.272 175.317 176.600 -0.017 0.000 0.891 161 E CA -0.934 55.457 56.400 -0.016 0.000 0.757 161 E CB 2.687 32.375 29.700 -0.020 0.000 1.231 161 E HN -0.173 nan 8.360 nan 0.000 0.439 162 R N 2.306 122.795 120.500 -0.018 0.000 2.332 162 R HA 0.333 4.675 4.340 0.002 0.000 0.306 162 R C -2.504 173.779 176.300 -0.029 0.000 1.117 162 R CA -1.669 54.422 56.100 -0.015 0.000 1.108 162 R CB 0.402 30.700 30.300 -0.004 0.000 1.126 162 R HN 0.172 nan 8.270 nan 0.000 0.548 163 P HA 0.153 nan 4.420 nan 0.000 0.274 163 P C 0.027 177.279 177.300 -0.079 0.000 1.231 163 P CA -0.503 62.539 63.100 -0.096 0.000 0.790 163 P CB 0.912 32.538 31.700 -0.123 0.000 0.951 164 R N 1.274 121.702 120.500 -0.120 0.000 2.115 164 R HA 0.049 4.391 4.340 0.002 0.000 0.230 164 R C 0.784 177.128 176.300 0.074 0.000 1.111 164 R CA 1.217 57.325 56.100 0.014 0.000 0.976 164 R CB -0.938 29.413 30.300 0.086 0.000 0.870 164 R HN 0.699 nan 8.270 nan 0.000 0.445 165 F N -3.564 116.281 119.950 -0.176 0.000 2.773 165 F HA 0.493 5.021 4.527 0.003 0.000 0.314 165 F C -1.606 174.133 175.800 -0.101 0.000 1.160 165 F CA -1.694 56.184 58.000 -0.203 0.000 0.920 165 F CB 0.647 39.410 39.000 -0.394 0.000 1.323 165 F HN -0.351 nan 8.300 nan 0.000 0.457 166 L N 2.568 123.886 121.223 0.158 0.000 2.296 166 L HA 0.425 4.766 4.340 0.002 0.000 0.286 166 L C -1.187 175.869 176.870 0.309 0.000 1.023 166 L CA -0.644 54.269 54.840 0.122 0.000 0.812 166 L CB 1.295 43.397 42.059 0.073 0.000 1.223 166 L HN 0.675 nan 8.230 nan 0.000 0.421 167 Y N 4.961 125.377 120.300 0.193 0.000 2.369 167 Y HA 0.742 5.294 4.550 0.002 0.000 0.337 167 Y C -1.278 174.724 175.900 0.171 0.000 0.961 167 Y CA -0.639 57.639 58.100 0.296 0.000 1.186 167 Y CB 0.683 39.454 38.460 0.519 0.000 1.139 167 Y HN 0.468 nan 8.280 nan 0.000 0.494 168 L N 7.075 128.045 121.223 -0.422 0.000 2.354 168 L HA 0.580 4.921 4.340 0.002 0.000 0.264 168 L C -0.839 175.739 176.870 -0.487 0.000 1.008 168 L CA -0.961 53.652 54.840 -0.378 0.000 0.819 168 L CB 2.603 44.566 42.059 -0.159 0.000 1.339 168 L HN 0.532 nan 8.230 nan 0.000 0.420 169 I N 2.089 122.452 120.570 -0.345 0.000 2.750 169 I HA 0.239 4.410 4.170 0.002 0.000 0.279 169 I C -1.883 174.120 176.117 -0.189 0.000 1.206 169 I CA -1.255 59.897 61.300 -0.247 0.000 1.101 169 I CB 1.128 39.022 38.000 -0.177 0.000 1.431 169 I HN 0.385 nan 8.210 nan 0.000 0.551 170 P HA -0.080 nan 4.420 nan 0.000 0.216 170 P C 0.266 177.395 177.300 -0.285 0.000 1.150 170 P CA 1.203 64.193 63.100 -0.184 0.000 0.837 170 P CB 0.254 31.872 31.700 -0.136 0.000 0.786 171 S N 0.176 115.683 115.700 -0.323 0.000 2.474 171 S HA 0.390 4.862 4.470 0.002 0.000 0.320 171 S C -0.709 173.587 174.600 -0.507 0.000 1.067 171 S CA -0.462 57.337 58.200 -0.667 0.000 1.127 171 S CB -0.825 62.063 63.200 -0.521 0.000 0.971 171 S HN 0.058 nan 8.310 nan 0.000 0.472 172 F N 0.380 120.278 119.950 -0.086 0.000 2.860 172 F HA -0.163 4.365 4.527 0.002 0.000 0.355 172 F C 0.653 176.322 175.800 -0.218 0.000 1.024 172 F CA -0.170 57.729 58.000 -0.167 0.000 1.160 172 F CB -2.051 36.817 39.000 -0.220 0.000 1.422 172 F HN 0.589 nan 8.300 nan 0.000 0.766 173 Q N 1.660 121.405 119.800 -0.091 0.000 2.310 173 Q HA -0.062 4.280 4.340 0.002 0.000 0.315 173 Q C 0.417 176.323 176.000 -0.156 0.000 1.081 173 Q CA 0.341 56.068 55.803 -0.126 0.000 0.981 173 Q CB 0.527 29.162 28.738 -0.172 0.000 1.184 173 Q HN 0.425 nan 8.270 nan 0.000 0.389 174 N N 5.132 123.759 118.700 -0.123 0.000 2.419 174 N HA 0.185 4.926 4.740 0.002 0.000 0.264 174 N C -2.080 173.269 175.510 -0.268 0.000 1.031 174 N CA -1.916 51.005 53.050 -0.214 0.000 0.951 174 N CB 1.205 39.672 38.487 -0.033 0.000 1.101 174 N HN 0.397 nan 8.380 nan 0.000 0.488 175 P HA 0.081 nan 4.420 nan 0.000 0.264 175 P C 0.800 177.693 177.300 -0.677 0.000 1.259 175 P CA 0.431 62.968 63.100 -0.939 0.000 0.841 175 P CB 0.262 31.050 31.700 -1.520 0.000 1.232 176 T N -4.485 109.669 114.554 -0.667 0.000 3.043 176 T HA 0.206 4.558 4.350 0.002 0.000 0.263 176 T C 1.690 176.323 174.700 -0.111 0.000 1.094 176 T CA 1.162 62.946 62.100 -0.525 0.000 1.127 176 T CB -1.144 67.339 68.868 -0.641 0.000 0.905 176 T HN 0.179 nan 8.240 nan 0.000 0.490 177 G N 0.971 109.735 108.800 -0.060 0.000 2.159 177 G HA2 -0.088 3.873 3.960 0.002 0.000 0.256 177 G HA3 -0.088 3.873 3.960 0.002 0.000 0.256 177 G C 0.456 175.396 174.900 0.067 0.000 0.977 177 G CA -0.032 45.102 45.100 0.057 0.000 0.652 177 G HN 1.065 nan 8.290 nan 0.000 0.531 178 G N -0.346 108.431 108.800 -0.038 0.000 2.353 178 G HA2 0.436 4.397 3.960 0.002 0.000 0.239 178 G HA3 0.436 4.397 3.960 0.002 0.000 0.239 178 G C 0.035 174.885 174.900 -0.084 0.000 1.295 178 G CA -0.075 44.995 45.100 -0.049 0.000 0.884 178 G HN 0.847 nan 8.290 nan 0.000 0.537 179 L N 2.906 124.083 121.223 -0.077 0.000 2.316 179 L HA 0.288 4.629 4.340 0.002 0.000 0.280 179 L C 0.177 176.960 176.870 -0.145 0.000 1.006 179 L CA -0.575 54.150 54.840 -0.193 0.000 0.836 179 L CB 1.310 43.306 42.059 -0.106 0.000 1.221 179 L HN 0.449 nan 8.230 nan 0.000 0.418 180 T N 6.352 120.801 114.554 -0.175 0.000 2.769 180 T HA 0.211 4.562 4.350 0.002 0.000 0.293 180 T C -2.292 172.341 174.700 -0.112 0.000 0.931 180 T CA -0.706 61.320 62.100 -0.123 0.000 1.139 180 T CB 0.578 69.374 68.868 -0.120 0.000 0.881 180 T HN 0.413 nan 8.240 nan 0.000 0.532 181 P HA 0.207 nan 4.420 nan 0.000 0.276 181 P C 1.031 178.296 177.300 -0.059 0.000 1.252 181 P CA -0.799 62.264 63.100 -0.062 0.000 0.802 181 P CB 0.590 32.267 31.700 -0.039 0.000 1.035 182 L N 2.987 124.179 121.223 -0.052 0.000 2.013 182 L HA -0.104 4.237 4.340 0.002 0.000 0.212 182 L C -0.978 175.867 176.870 -0.041 0.000 1.073 182 L CA 2.787 57.599 54.840 -0.048 0.000 0.753 182 L CB -2.470 39.564 42.059 -0.042 0.000 0.890 182 L HN 0.359 nan 8.230 nan 0.000 0.432 183 P HA -0.126 nan 4.420 nan 0.000 0.218 183 P C 1.471 178.750 177.300 -0.035 0.000 1.148 183 P CA 1.913 64.994 63.100 -0.032 0.000 0.822 183 P CB -0.204 31.480 31.700 -0.026 0.000 0.784 184 A N -0.314 122.483 122.820 -0.038 0.000 1.929 184 A HA -0.146 4.176 4.320 0.002 0.000 0.216 184 A C 2.254 179.811 177.584 -0.044 0.000 1.176 184 A CA 1.114 53.127 52.037 -0.041 0.000 0.628 184 A CB -0.904 18.070 19.000 -0.043 0.000 0.816 184 A HN 0.041 nan 8.150 nan 0.000 0.444 185 R N 0.052 120.523 120.500 -0.048 0.000 2.081 185 R HA -0.118 4.223 4.340 0.002 0.000 0.235 185 R C 2.164 178.439 176.300 -0.041 0.000 1.131 185 R CA 1.771 57.844 56.100 -0.046 0.000 0.960 185 R CB -0.265 30.005 30.300 -0.049 0.000 0.856 185 R HN 0.509 nan 8.270 nan 0.000 0.436 186 K N 0.147 120.522 120.400 -0.042 0.000 2.026 186 K HA -0.194 4.127 4.320 0.002 0.000 0.208 186 K C 2.199 178.770 176.600 -0.048 0.000 1.048 186 K CA 1.520 57.780 56.287 -0.044 0.000 0.929 186 K CB -0.198 32.278 32.500 -0.040 0.000 0.713 186 K HN 0.056 nan 8.250 nan 0.000 0.439 187 R N 1.385 121.858 120.500 -0.044 0.000 2.083 187 R HA -0.178 4.163 4.340 0.002 0.000 0.237 187 R C 2.301 178.571 176.300 -0.050 0.000 1.137 187 R CA 1.282 57.355 56.100 -0.045 0.000 0.951 187 R CB -0.508 29.770 30.300 -0.038 0.000 0.851 187 R HN 0.124 nan 8.270 nan 0.000 0.434 188 L N 0.741 121.937 121.223 -0.046 0.000 2.012 188 L HA -0.137 4.205 4.340 0.002 0.000 0.210 188 L C 2.107 178.945 176.870 -0.053 0.000 1.073 188 L CA 1.739 56.553 54.840 -0.043 0.000 0.748 188 L CB -0.871 41.166 42.059 -0.036 0.000 0.891 188 L HN 0.416 nan 8.230 nan 0.000 0.431 189 L N -0.630 120.559 121.223 -0.056 0.000 2.013 189 L HA -0.248 4.093 4.340 0.002 0.000 0.212 189 L C 2.532 179.316 176.870 -0.143 0.000 1.073 189 L CA 1.851 56.643 54.840 -0.080 0.000 0.753 189 L CB -0.920 41.102 42.059 -0.061 0.000 0.890 189 L HN 0.406 nan 8.230 nan 0.000 0.432 190 Q N -0.785 118.947 119.800 -0.114 0.000 2.061 190 Q HA -0.229 4.113 4.340 0.002 0.000 0.204 190 Q C 2.257 178.180 176.000 -0.129 0.000 0.984 190 Q CA 2.461 58.189 55.803 -0.124 0.000 0.846 190 Q CB -0.323 28.364 28.738 -0.086 0.000 0.902 190 Q HN 0.614 nan 8.270 nan 0.000 0.421 191 M N -0.619 118.923 119.600 -0.096 0.000 2.108 191 M HA -0.180 4.302 4.480 0.002 0.000 0.261 191 M C 2.275 178.514 176.300 -0.102 0.000 1.066 191 M CA 1.191 56.443 55.300 -0.081 0.000 1.107 191 M CB -0.335 32.232 32.600 -0.055 0.000 1.356 191 M HN -0.033 nan 8.290 nan 0.000 0.406 192 V N 0.187 120.028 119.914 -0.122 0.000 2.358 192 V HA -0.237 3.884 4.120 0.002 0.000 0.246 192 V C 2.364 178.275 176.094 -0.306 0.000 1.047 192 V CA 1.637 63.860 62.300 -0.129 0.000 1.035 192 V CB -0.520 31.273 31.823 -0.050 0.000 0.658 192 V HN 0.499 nan 8.190 nan 0.000 0.452 193 M N 0.300 119.582 119.600 -0.530 0.000 2.117 193 M HA -0.218 4.263 4.480 0.002 0.000 0.262 193 M C 2.304 178.387 176.300 -0.362 0.000 1.065 193 M CA 2.321 57.147 55.300 -0.789 0.000 1.114 193 M CB -0.603 31.607 32.600 -0.650 0.000 1.361 193 M HN 0.600 nan 8.290 nan 0.000 0.408 194 E N 0.425 120.496 120.200 -0.215 0.000 2.204 194 E HA -0.174 4.178 4.350 0.002 0.000 0.194 194 E C 1.651 178.205 176.600 -0.077 0.000 0.989 194 E CA 0.911 57.239 56.400 -0.120 0.000 0.824 194 E CB -0.162 29.485 29.700 -0.089 0.000 0.756 194 E HN 0.509 nan 8.360 nan 0.000 0.477 195 R N -0.047 120.409 120.500 -0.074 0.000 2.362 195 R HA 0.147 4.488 4.340 0.002 0.000 0.227 195 R C 0.624 176.929 176.300 0.007 0.000 0.905 195 R CA 0.406 56.489 56.100 -0.028 0.000 1.067 195 R CB 0.784 31.070 30.300 -0.023 0.000 1.078 195 R HN 0.307 nan 8.270 nan 0.000 0.516 196 G N 2.162 110.972 108.800 0.016 0.000 2.314 196 G HA2 -0.263 3.698 3.960 0.002 0.000 0.292 196 G HA3 -0.263 3.698 3.960 0.002 0.000 0.292 196 G C -0.155 174.850 174.900 0.175 0.000 1.059 196 G CA 0.033 45.221 45.100 0.146 0.000 0.982 196 G HN 0.129 nan 8.290 nan 0.000 0.505 197 L N -0.900 120.424 121.223 0.168 0.000 2.375 197 L HA 0.668 5.010 4.340 0.002 0.000 0.268 197 L C 0.844 177.818 176.870 0.175 0.000 1.058 197 L CA -1.357 53.561 54.840 0.130 0.000 0.803 197 L CB 1.663 43.761 42.059 0.065 0.000 1.212 197 L HN -0.016 nan 8.230 nan 0.000 0.451 198 V N 2.192 122.161 119.914 0.091 0.000 2.481 198 V HA 0.322 4.444 4.120 0.002 0.000 0.286 198 V C -0.016 176.116 176.094 0.064 0.000 1.042 198 V CA -0.589 61.730 62.300 0.032 0.000 0.928 198 V CB 1.741 33.495 31.823 -0.115 0.000 0.986 198 V HN 0.383 nan 8.190 nan 0.000 0.462 199 V N 5.345 125.297 119.914 0.064 0.000 2.384 199 V HA 0.353 4.475 4.120 0.002 0.000 0.287 199 V C -0.136 175.986 176.094 0.048 0.000 1.020 199 V CA -0.568 61.786 62.300 0.090 0.000 0.850 199 V CB 2.033 33.919 31.823 0.105 0.000 0.987 199 V HN 0.627 nan 8.190 nan 0.000 0.436 200 V N 4.958 124.924 119.914 0.086 0.000 2.353 200 V HA 0.289 4.411 4.120 0.002 0.000 0.264 200 V C 0.329 176.461 176.094 0.064 0.000 1.049 200 V CA -0.323 62.012 62.300 0.058 0.000 0.896 200 V CB 1.095 32.934 31.823 0.026 0.000 1.025 200 V HN 0.930 nan 8.190 nan 0.000 0.475 201 E N 3.982 124.193 120.200 0.019 0.000 2.081 201 E HA 0.193 4.544 4.350 0.002 0.000 0.281 201 E C -0.920 175.565 176.600 -0.192 0.000 0.986 201 E CA -0.604 55.763 56.400 -0.056 0.000 0.796 201 E CB 0.823 30.573 29.700 0.083 0.000 1.085 201 E HN 0.633 nan 8.360 nan 0.000 0.398 202 D N 4.036 124.290 120.400 -0.245 0.000 2.359 202 D HA 0.109 4.751 4.640 0.002 0.000 0.230 202 D C -0.859 175.273 176.300 -0.281 0.000 1.118 202 D CA -0.300 53.553 54.000 -0.247 0.000 0.844 202 D CB 1.194 41.926 40.800 -0.113 0.000 1.059 202 D HN 0.368 nan 8.370 nan 0.000 0.493 203 D N 2.395 122.540 120.400 -0.425 0.000 2.892 203 D HA 0.281 4.922 4.640 0.002 0.000 0.291 203 D C 1.246 177.381 176.300 -0.275 0.000 1.341 203 D CA -0.267 53.542 54.000 -0.318 0.000 0.844 203 D CB 0.421 40.975 40.800 -0.409 0.000 1.093 203 D HN 0.406 nan 8.370 nan 0.000 0.480 204 A N -0.415 122.215 122.820 -0.315 0.000 1.978 204 A HA -0.189 4.133 4.320 0.002 0.000 0.220 204 A C 0.996 178.273 177.584 -0.513 0.000 1.170 204 A CA 1.180 52.935 52.037 -0.470 0.000 0.636 204 A CB -0.491 18.115 19.000 -0.658 0.000 0.810 204 A HN 0.419 nan 8.150 nan 0.000 0.448 205 Y N -1.203 119.091 120.300 -0.011 0.000 2.607 205 Y HA 0.240 4.792 4.550 0.003 0.000 0.266 205 Y C 1.783 177.813 175.900 0.217 0.000 1.178 205 Y CA -0.118 58.029 58.100 0.079 0.000 1.226 205 Y CB -0.202 38.321 38.460 0.106 0.000 1.144 205 Y HN 0.331 nan 8.280 nan 0.000 0.528 206 R N 1.200 121.843 120.500 0.239 0.000 2.159 206 R HA -0.235 4.106 4.340 0.002 0.000 0.252 206 R C 1.013 177.575 176.300 0.436 0.000 1.144 206 R CA 2.274 58.537 56.100 0.272 0.000 0.961 206 R CB 0.057 30.472 30.300 0.192 0.000 0.877 206 R HN 0.253 nan 8.270 nan 0.000 0.444 207 E N 0.065 120.495 120.200 0.384 0.000 2.479 207 E HA 0.000 4.352 4.350 0.002 0.000 0.193 207 E C 0.297 176.983 176.600 0.143 0.000 1.049 207 E CA 0.150 56.766 56.400 0.359 0.000 0.870 207 E CB 0.412 30.280 29.700 0.280 0.000 0.944 207 E HN 0.251 nan 8.360 nan 0.000 0.492 208 L N 2.052 123.374 121.223 0.166 0.000 2.968 208 L HA 0.091 4.433 4.340 0.002 0.000 0.235 208 L C -0.219 176.399 176.870 -0.420 0.000 1.323 208 L CA -0.287 54.514 54.840 -0.066 0.000 1.159 208 L CB -1.107 40.910 42.059 -0.069 0.000 1.523 208 L HN 0.016 nan 8.230 nan 0.000 0.468 209 Y N -3.772 116.431 120.300 -0.163 0.000 2.304 209 Y HA 0.433 4.985 4.550 0.002 0.000 0.328 209 Y C 0.564 176.436 175.900 -0.047 0.000 1.123 209 Y CA -0.968 56.968 58.100 -0.274 0.000 1.218 209 Y CB 0.313 38.900 38.460 0.212 0.000 1.207 209 Y HN 0.017 nan 8.280 nan 0.000 0.495 210 F N 1.761 121.698 119.950 -0.021 0.000 2.746 210 F HA 0.329 4.858 4.527 0.002 0.000 0.297 210 F C 1.553 177.417 175.800 0.106 0.000 1.113 210 F CA -0.583 57.410 58.000 -0.012 0.000 1.367 210 F CB -0.669 38.290 39.000 -0.069 0.000 1.111 210 F HN 0.802 nan 8.300 nan 0.000 0.590 211 G N 0.691 109.718 108.800 0.377 0.000 2.570 211 G HA2 0.120 4.081 3.960 0.002 0.000 0.276 211 G HA3 0.120 4.081 3.960 0.002 0.000 0.276 211 G C 1.026 176.118 174.900 0.319 0.000 1.346 211 G CA 0.168 45.447 45.100 0.299 0.000 1.034 211 G HN 0.394 nan 8.290 nan 0.000 0.512 212 E N -1.288 119.036 120.200 0.206 0.000 2.158 212 E HA 0.348 4.699 4.350 0.002 0.000 0.191 212 E C 0.935 177.649 176.600 0.190 0.000 0.982 212 E CA 0.785 57.293 56.400 0.181 0.000 0.823 212 E CB 0.129 29.892 29.700 0.105 0.000 0.766 212 E HN 0.509 nan 8.360 nan 0.000 0.468 213 A N 0.869 123.725 122.820 0.060 0.000 2.556 213 A HA 0.543 4.865 4.320 0.002 0.000 0.294 213 A C -1.071 176.139 177.584 -0.623 0.000 1.091 213 A CA -0.879 51.056 52.037 -0.171 0.000 0.704 213 A CB 1.418 20.366 19.000 -0.086 0.000 1.300 213 A HN 0.139 nan 8.150 nan 0.000 0.406 214 R N 1.085 121.020 120.500 -0.942 0.000 2.491 214 R HA 0.442 4.783 4.340 0.002 0.000 0.283 214 R C -0.831 175.288 176.300 -0.302 0.000 1.072 214 R CA -0.255 55.385 56.100 -0.766 0.000 1.048 214 R CB 0.116 30.108 30.300 -0.514 0.000 0.983 214 R HN 0.667 nan 8.270 nan 0.000 0.450 215 L N 6.397 127.493 121.223 -0.211 0.000 2.417 215 L HA 0.291 4.633 4.340 0.002 0.000 0.268 215 L C -1.611 175.201 176.870 -0.097 0.000 1.158 215 L CA -2.031 52.730 54.840 -0.131 0.000 0.819 215 L CB 0.795 42.778 42.059 -0.126 0.000 1.112 215 L HN 0.583 nan 8.230 nan 0.000 0.458 216 P HA 0.018 nan 4.420 nan 0.000 0.264 216 P C -0.447 176.832 177.300 -0.034 0.000 1.193 216 P CA -0.301 62.769 63.100 -0.049 0.000 0.763 216 P CB 0.602 32.276 31.700 -0.043 0.000 0.810 217 S N 2.953 118.648 115.700 -0.008 0.000 2.584 217 S HA 0.036 4.507 4.470 0.002 0.000 0.270 217 S C 1.473 176.101 174.600 0.047 0.000 1.346 217 S CA -0.633 57.595 58.200 0.047 0.000 1.018 217 S CB 0.183 63.456 63.200 0.122 0.000 0.899 217 S HN 0.174 nan 8.310 nan 0.000 0.542 218 L N 0.932 122.198 121.223 0.071 0.000 2.021 218 L HA -0.063 4.278 4.340 0.002 0.000 0.215 218 L C 2.129 179.054 176.870 0.092 0.000 1.074 218 L CA 1.665 56.547 54.840 0.069 0.000 0.760 218 L CB -1.815 40.293 42.059 0.082 0.000 0.889 218 L HN 0.890 nan 8.230 nan 0.000 0.433 219 F N 0.610 120.572 119.950 0.021 0.000 2.091 219 F HA -0.267 4.261 4.527 0.002 0.000 0.299 219 F C 2.483 178.228 175.800 -0.091 0.000 1.103 219 F CA 1.948 59.925 58.000 -0.039 0.000 1.228 219 F CB -0.085 38.829 39.000 -0.144 0.000 0.984 219 F HN 0.209 nan 8.300 nan 0.000 0.477 220 E N -0.353 119.860 120.200 0.022 0.000 2.106 220 E HA -0.193 4.158 4.350 0.002 0.000 0.192 220 E C 2.092 178.631 176.600 -0.102 0.000 0.984 220 E CA 0.965 57.331 56.400 -0.056 0.000 0.806 220 E CB -0.200 29.484 29.700 -0.026 0.000 0.750 220 E HN 0.259 nan 8.360 nan 0.000 0.458 221 L N 0.462 121.643 121.223 -0.069 0.000 2.093 221 L HA -0.095 4.247 4.340 0.002 0.000 0.208 221 L C 2.238 179.064 176.870 -0.074 0.000 1.085 221 L CA 1.690 56.494 54.840 -0.060 0.000 0.755 221 L CB -1.113 40.924 42.059 -0.038 0.000 0.904 221 L HN 0.064 nan 8.230 nan 0.000 0.435 222 A N -0.879 121.883 122.820 -0.096 0.000 1.897 222 A HA -0.192 4.129 4.320 0.002 0.000 0.215 222 A C 2.509 179.999 177.584 -0.156 0.000 1.181 222 A CA 1.301 53.298 52.037 -0.067 0.000 0.620 222 A CB -0.492 18.491 19.000 -0.028 0.000 0.821 222 A HN 0.325 nan 8.150 nan 0.000 0.443 223 R N 0.233 120.537 120.500 -0.327 0.000 2.083 223 R HA -0.213 4.128 4.340 0.002 0.000 0.237 223 R C 2.149 178.362 176.300 -0.145 0.000 1.137 223 R CA 2.042 57.960 56.100 -0.304 0.000 0.951 223 R CB -0.408 29.648 30.300 -0.405 0.000 0.851 223 R HN 0.747 nan 8.270 nan 0.000 0.434 224 E N -0.218 119.916 120.200 -0.111 0.000 2.110 224 E HA -0.162 4.189 4.350 0.002 0.000 0.193 224 E C 1.495 178.067 176.600 -0.047 0.000 0.988 224 E CA 1.266 57.627 56.400 -0.066 0.000 0.804 224 E CB -0.099 29.569 29.700 -0.055 0.000 0.745 224 E HN 0.465 nan 8.360 nan 0.000 0.458 225 A N 0.074 122.869 122.820 -0.042 0.000 2.169 225 A HA 0.213 4.534 4.320 0.002 0.000 0.212 225 A C 1.847 179.434 177.584 0.005 0.000 1.153 225 A CA 1.015 53.042 52.037 -0.017 0.000 0.756 225 A CB -0.407 18.586 19.000 -0.013 0.000 0.813 225 A HN 0.537 nan 8.150 nan 0.000 0.471 226 G N -2.509 106.286 108.800 -0.008 0.000 2.143 226 G HA2 -0.318 3.643 3.960 0.002 0.000 0.249 226 G HA3 -0.318 3.643 3.960 0.002 0.000 0.249 226 G C 0.013 174.944 174.900 0.052 0.000 0.981 226 G CA 0.357 45.459 45.100 0.005 0.000 0.665 226 G HN 0.732 nan 8.290 nan 0.000 0.528 227 Y N 2.264 122.510 120.300 -0.089 0.000 2.393 227 Y HA 0.509 5.060 4.550 0.003 0.000 0.338 227 Y C -1.024 174.820 175.900 -0.093 0.000 1.029 227 Y CA -1.796 56.256 58.100 -0.081 0.000 1.239 227 Y CB 1.524 39.938 38.460 -0.077 0.000 1.170 227 Y HN 0.048 nan 8.280 nan 0.000 0.515 228 P HA 0.153 nan 4.420 nan 0.000 0.257 228 P C 0.832 177.825 177.300 -0.512 0.000 1.281 228 P CA 0.531 63.394 63.100 -0.395 0.000 0.826 228 P CB 0.347 31.915 31.700 -0.221 0.000 1.237 229 G N -0.073 108.132 108.800 -0.992 0.000 3.088 229 G HA2 0.157 4.118 3.960 0.002 0.000 0.212 229 G HA3 0.157 4.118 3.960 0.002 0.000 0.212 229 G C 0.149 174.964 174.900 -0.140 0.000 1.173 229 G CA 0.041 44.792 45.100 -0.582 0.000 0.779 229 G HN 0.151 nan 8.290 nan 0.000 0.540 230 V N 2.834 122.718 119.914 -0.051 0.000 2.350 230 V HA 0.303 4.424 4.120 0.002 0.000 0.276 230 V C -0.319 175.938 176.094 0.273 0.000 1.028 230 V CA -0.989 61.395 62.300 0.140 0.000 0.860 230 V CB 1.501 33.440 31.823 0.193 0.000 0.990 230 V HN 0.063 nan 8.190 nan 0.000 0.453 231 I N 5.471 126.145 120.570 0.173 0.000 2.312 231 I HA 0.291 4.463 4.170 0.002 0.000 0.291 231 I C -0.448 175.771 176.117 0.170 0.000 1.031 231 I CA -0.498 60.895 61.300 0.155 0.000 1.293 231 I CB 0.557 38.566 38.000 0.015 0.000 1.403 231 I HN 0.633 nan 8.210 nan 0.000 0.484 232 Y N 7.353 127.642 120.300 -0.018 0.000 2.331 232 Y HA 0.555 5.106 4.550 0.002 0.000 0.338 232 Y C -0.867 174.933 175.900 -0.167 0.000 0.976 232 Y CA -0.645 57.370 58.100 -0.141 0.000 1.137 232 Y CB 1.207 39.389 38.460 -0.464 0.000 1.172 232 Y HN 0.396 nan 8.280 nan 0.000 0.478 233 L N 6.678 127.534 121.223 -0.612 0.000 2.307 233 L HA 0.775 5.116 4.340 0.002 0.000 0.284 233 L C 0.347 176.591 176.870 -1.044 0.000 1.023 233 L CA -0.789 53.681 54.840 -0.616 0.000 0.810 233 L CB 1.523 43.384 42.059 -0.329 0.000 1.231 233 L HN 0.850 nan 8.230 nan 0.000 0.423 234 G N 0.789 108.818 108.800 -1.284 0.000 2.605 234 G HA2 0.644 4.605 3.960 0.002 0.000 0.296 234 G HA3 0.644 4.605 3.960 0.002 0.000 0.296 234 G C -1.605 172.533 174.900 -1.270 0.000 1.304 234 G CA -0.372 43.871 45.100 -1.428 0.000 0.941 234 G HN 0.459 nan 8.290 nan 0.000 0.475 235 S N -1.402 113.847 115.700 -0.752 0.000 2.579 235 S HA 0.591 5.063 4.470 0.002 0.000 0.272 235 S C -0.832 173.602 174.600 -0.276 0.000 1.141 235 S CA -0.566 57.363 58.200 -0.451 0.000 0.843 235 S CB 1.083 64.118 63.200 -0.274 0.000 1.122 235 S HN 0.373 nan 8.310 nan 0.000 0.468 236 F N 1.611 121.665 119.950 0.174 0.000 2.693 236 F HA 0.309 4.838 4.527 0.002 0.000 0.303 236 F C 2.184 178.071 175.800 0.145 0.000 1.097 236 F CA -0.061 58.068 58.000 0.215 0.000 1.330 236 F CB 0.100 39.215 39.000 0.191 0.000 1.067 236 F HN 0.451 nan 8.300 nan 0.000 0.565 237 S N 0.058 115.867 115.700 0.182 0.000 2.371 237 S HA -0.134 4.338 4.470 0.002 0.000 0.224 237 S C 1.958 176.635 174.600 0.127 0.000 1.029 237 S CA 1.250 59.532 58.200 0.137 0.000 0.978 237 S CB -0.024 63.205 63.200 0.049 0.000 0.833 237 S HN 0.163 nan 8.310 nan 0.000 0.466 238 K N 0.853 121.276 120.400 0.038 0.000 2.379 238 K HA 0.127 4.449 4.320 0.002 0.000 0.194 238 K C 1.443 178.112 176.600 0.116 0.000 1.031 238 K CA 0.274 56.559 56.287 -0.004 0.000 1.037 238 K CB 0.350 32.710 32.500 -0.234 0.000 0.824 238 K HN 0.394 nan 8.250 nan 0.000 0.516 239 V N -2.762 117.287 119.914 0.224 0.000 3.661 239 V HA 0.282 4.403 4.120 0.002 0.000 0.271 239 V C 1.000 177.299 176.094 0.342 0.000 1.315 239 V CA 0.054 62.540 62.300 0.310 0.000 1.072 239 V CB 0.184 32.261 31.823 0.424 0.000 0.830 239 V HN 0.115 nan 8.190 nan 0.000 0.443 240 L N -0.335 121.091 121.223 0.338 0.000 2.208 240 L HA 0.657 4.998 4.340 0.002 0.000 0.133 240 L C 0.199 177.296 176.870 0.378 0.000 1.385 240 L CA 1.180 56.213 54.840 0.321 0.000 1.030 240 L CB 0.807 43.021 42.059 0.259 0.000 2.075 240 L HN 0.231 nan 8.230 nan 0.000 0.482 241 S N 0.005 115.885 115.700 0.299 0.000 2.706 241 S HA 0.529 5.001 4.470 0.002 0.000 0.270 241 S C -2.464 172.237 174.600 0.168 0.000 1.163 241 S CA -0.819 57.518 58.200 0.228 0.000 1.042 241 S CB 1.310 64.530 63.200 0.034 0.000 1.079 241 S HN 0.115 nan 8.310 nan 0.000 0.474 242 P HA 0.062 nan 4.420 nan 0.000 0.217 242 P C 1.597 178.939 177.300 0.071 0.000 1.150 242 P CA 1.246 64.423 63.100 0.129 0.000 0.832 242 P CB -0.060 31.734 31.700 0.156 0.000 0.787 243 G N -0.335 108.475 108.800 0.016 0.000 2.443 243 G HA2 -0.169 3.792 3.960 0.002 0.000 0.219 243 G HA3 -0.169 3.792 3.960 0.002 0.000 0.219 243 G C 1.391 176.278 174.900 -0.022 0.000 1.131 243 G CA 0.289 45.374 45.100 -0.026 0.000 0.775 243 G HN 0.241 nan 8.290 nan 0.000 0.547 244 L N -0.584 120.631 121.223 -0.012 0.000 2.395 244 L HA 0.117 4.458 4.340 0.002 0.000 0.218 244 L C 0.744 177.634 176.870 0.034 0.000 1.130 244 L CA -0.155 54.683 54.840 -0.003 0.000 0.826 244 L CB -0.102 41.952 42.059 -0.009 0.000 0.941 244 L HN 0.099 nan 8.230 nan 0.000 0.451 245 R N -0.043 120.492 120.500 0.059 0.000 3.152 245 R HA -0.120 4.222 4.340 0.002 0.000 0.252 245 R C -1.183 175.182 176.300 0.109 0.000 0.930 245 R CA 0.201 56.344 56.100 0.073 0.000 0.642 245 R CB -2.760 27.567 30.300 0.046 0.000 1.205 245 R HN 0.097 nan 8.270 nan 0.000 0.452 246 V N -0.145 119.873 119.914 0.174 0.000 2.482 246 V HA 0.885 5.006 4.120 0.002 0.000 0.295 246 V C 0.408 176.727 176.094 0.375 0.000 1.026 246 V CA -0.102 62.362 62.300 0.273 0.000 0.856 246 V CB 1.940 33.933 31.823 0.284 0.000 1.001 246 V HN 0.683 nan 8.190 nan 0.000 0.424 247 A N 4.614 127.600 122.820 0.277 0.000 2.535 247 A HA 1.102 5.423 4.320 0.002 0.000 0.296 247 A C -1.463 176.245 177.584 0.206 0.000 1.248 247 A CA -0.580 51.509 52.037 0.086 0.000 0.686 247 A CB 2.127 21.079 19.000 -0.080 0.000 1.315 247 A HN 1.460 nan 8.150 nan 0.000 0.460 248 F N -3.130 116.814 119.950 -0.009 0.000 2.678 248 F HA 0.829 5.358 4.527 0.002 0.000 0.308 248 F C -0.438 175.348 175.800 -0.024 0.000 1.118 248 F CA -0.755 57.259 58.000 0.023 0.000 0.959 248 F CB 1.178 40.219 39.000 0.068 0.000 1.305 248 F HN 1.025 nan 8.300 nan 0.000 0.443 249 A N 1.795 124.735 122.820 0.200 0.000 2.337 249 A HA 0.875 5.196 4.320 0.002 0.000 0.329 249 A C -1.505 176.200 177.584 0.201 0.000 1.146 249 A CA -0.916 51.196 52.037 0.125 0.000 0.800 249 A CB 1.555 20.603 19.000 0.079 0.000 1.220 249 A HN 0.943 nan 8.150 nan 0.000 0.472 250 V N 0.806 120.808 119.914 0.146 0.000 2.588 250 V HA 0.850 4.971 4.120 0.002 0.000 0.304 250 V C 0.225 176.380 176.094 0.102 0.000 1.042 250 V CA 0.052 62.388 62.300 0.059 0.000 0.877 250 V CB 1.082 32.809 31.823 -0.160 0.000 0.996 250 V HN 1.545 nan 8.190 nan 0.000 0.425 251 A N 2.154 125.072 122.820 0.163 0.000 2.610 251 A HA 0.633 4.955 4.320 0.002 0.000 0.291 251 A C -0.734 176.980 177.584 0.216 0.000 1.086 251 A CA -0.668 51.506 52.037 0.228 0.000 0.677 251 A CB 1.218 20.327 19.000 0.182 0.000 1.278 251 A HN 0.938 nan 8.150 nan 0.000 0.414 252 H N 1.236 120.373 119.070 0.111 0.000 3.064 252 H HA 0.018 4.575 4.556 0.003 0.000 0.329 252 H C -1.491 173.868 175.328 0.051 0.000 1.020 252 H CA 0.011 56.092 56.048 0.056 0.000 1.402 252 H CB 0.942 30.711 29.762 0.012 0.000 1.379 252 H HN 0.242 nan 8.280 nan 0.000 0.594 253 P HA -0.228 nan 4.420 nan 0.000 0.219 253 P C 1.082 178.401 177.300 0.031 0.000 1.153 253 P CA 1.793 64.815 63.100 -0.131 0.000 0.865 253 P CB 0.193 31.739 31.700 -0.258 0.000 0.788 254 E N -1.298 119.038 120.200 0.226 0.000 2.072 254 E HA -0.066 4.286 4.350 0.002 0.000 0.190 254 E C 2.082 178.766 176.600 0.141 0.000 0.982 254 E CA 1.024 57.549 56.400 0.209 0.000 0.803 254 E CB -0.352 29.506 29.700 0.264 0.000 0.755 254 E HN 0.162 nan 8.360 nan 0.000 0.453 255 A N 1.209 124.146 122.820 0.195 0.000 1.970 255 A HA -0.064 4.258 4.320 0.002 0.000 0.216 255 A C 2.085 179.735 177.584 0.111 0.000 1.170 255 A CA 0.411 52.537 52.037 0.149 0.000 0.645 255 A CB -0.329 18.813 19.000 0.236 0.000 0.816 255 A HN 0.198 nan 8.150 nan 0.000 0.447 256 L N -0.553 120.738 121.223 0.114 0.000 2.046 256 L HA -0.175 4.167 4.340 0.002 0.000 0.208 256 L C 2.465 179.366 176.870 0.052 0.000 1.077 256 L CA 1.839 56.729 54.840 0.083 0.000 0.747 256 L CB -0.742 41.360 42.059 0.072 0.000 0.896 256 L HN 0.383 nan 8.230 nan 0.000 0.432 257 Q N -0.024 119.800 119.800 0.040 0.000 2.124 257 Q HA -0.181 4.160 4.340 0.002 0.000 0.202 257 Q C 2.090 178.094 176.000 0.007 0.000 0.977 257 Q CA 1.116 56.932 55.803 0.021 0.000 0.850 257 Q CB -0.244 28.504 28.738 0.016 0.000 0.901 257 Q HN 0.383 nan 8.270 nan 0.000 0.429 258 K N 0.611 121.007 120.400 -0.008 0.000 2.063 258 K HA -0.068 4.253 4.320 0.002 0.000 0.208 258 K C 2.266 178.851 176.600 -0.025 0.000 1.048 258 K CA 0.814 57.075 56.287 -0.043 0.000 0.928 258 K CB -0.525 31.907 32.500 -0.113 0.000 0.713 258 K HN 0.257 nan 8.250 nan 0.000 0.442 259 L N 0.462 121.688 121.223 0.005 0.000 2.093 259 L HA -0.148 4.194 4.340 0.002 0.000 0.208 259 L C 2.444 179.334 176.870 0.033 0.000 1.085 259 L CA 0.614 55.470 54.840 0.028 0.000 0.755 259 L CB -0.536 41.559 42.059 0.060 0.000 0.904 259 L HN -0.119 nan 8.230 nan 0.000 0.435 260 V N -0.219 119.715 119.914 0.034 0.000 2.255 260 V HA -0.336 3.785 4.120 0.002 0.000 0.247 260 V C 2.484 178.594 176.094 0.027 0.000 1.051 260 V CA 1.889 64.211 62.300 0.037 0.000 1.018 260 V CB -0.557 31.286 31.823 0.034 0.000 0.641 260 V HN 0.505 nan 8.190 nan 0.000 0.445 261 Q N -0.374 119.434 119.800 0.013 0.000 2.124 261 Q HA -0.163 4.179 4.340 0.002 0.000 0.202 261 Q C 2.372 178.375 176.000 0.004 0.000 0.977 261 Q CA 1.719 57.525 55.803 0.004 0.000 0.850 261 Q CB -0.412 28.322 28.738 -0.006 0.000 0.901 261 Q HN 0.686 nan 8.270 nan 0.000 0.429 262 A N 1.446 124.267 122.820 0.002 0.000 1.930 262 A HA -0.199 4.122 4.320 0.002 0.000 0.217 262 A C 2.016 179.611 177.584 0.019 0.000 1.175 262 A CA 1.417 53.457 52.037 0.005 0.000 0.627 262 A CB -0.376 18.624 19.000 0.001 0.000 0.815 262 A HN 0.187 nan 8.150 nan 0.000 0.443 263 K N -0.265 120.153 120.400 0.029 0.000 2.097 263 K HA -0.222 4.099 4.320 0.002 0.000 0.205 263 K C 2.284 178.907 176.600 0.038 0.000 1.050 263 K CA 1.601 57.912 56.287 0.040 0.000 0.938 263 K CB -0.215 32.319 32.500 0.057 0.000 0.718 263 K HN 0.662 nan 8.250 nan 0.000 0.442 264 Q N -0.131 119.689 119.800 0.034 0.000 2.061 264 Q HA -0.147 4.194 4.340 0.002 0.000 0.204 264 Q C 1.789 177.799 176.000 0.016 0.000 0.984 264 Q CA 2.059 57.880 55.803 0.030 0.000 0.846 264 Q CB -0.374 28.376 28.738 0.021 0.000 0.902 264 Q HN 0.447 nan 8.270 nan 0.000 0.421 265 G N -0.567 108.239 108.800 0.011 0.000 2.598 265 G HA2 -0.002 3.960 3.960 0.002 0.000 0.215 265 G HA3 -0.002 3.960 3.960 0.002 0.000 0.215 265 G C 1.231 176.137 174.900 0.009 0.000 1.131 265 G CA 0.610 45.714 45.100 0.007 0.000 0.785 265 G HN 0.485 nan 8.290 nan 0.000 0.539 266 A N 1.127 123.955 122.820 0.014 0.000 1.887 266 A HA 0.238 4.559 4.320 0.002 0.000 0.212 266 A C 1.665 179.254 177.584 0.008 0.000 1.198 266 A CA 1.867 53.912 52.037 0.013 0.000 0.628 266 A CB 0.191 19.203 19.000 0.020 0.000 0.847 266 A HN 0.388 nan 8.150 nan 0.000 0.449 267 D N -2.755 117.649 120.400 0.008 0.000 2.583 267 D HA 0.247 4.888 4.640 0.002 0.000 0.282 267 D C 0.683 176.970 176.300 -0.022 0.000 1.485 267 D CA 0.302 54.297 54.000 -0.009 0.000 0.834 267 D CB -0.698 40.091 40.800 -0.019 0.000 1.258 267 D HN 0.289 nan 8.370 nan 0.000 0.470 268 L N -0.388 120.841 121.223 0.011 0.000 3.370 268 L HA -0.309 4.032 4.340 0.002 0.000 0.308 268 L C 0.302 177.257 176.870 0.143 0.000 4.222 268 L CA 2.228 57.098 54.840 0.051 0.000 1.163 268 L CB -1.769 40.322 42.059 0.053 0.000 3.373 268 L HN 0.677 nan 8.230 nan 0.000 0.809 269 H N -1.977 117.142 119.070 0.081 0.000 3.042 269 H HA 0.401 4.959 4.556 0.003 0.000 0.346 269 H C -0.965 174.412 175.328 0.081 0.000 1.294 269 H CA -0.195 55.903 56.048 0.083 0.000 1.141 269 H CB 1.240 31.061 29.762 0.098 0.000 1.872 269 H HN -0.019 nan 8.280 nan 0.000 0.541 270 T N 4.176 118.834 114.554 0.175 0.000 2.916 270 T HA 0.147 4.499 4.350 0.002 0.000 0.303 270 T C -2.318 172.476 174.700 0.157 0.000 1.025 270 T CA -0.635 61.534 62.100 0.115 0.000 1.142 270 T CB 0.343 69.297 68.868 0.143 0.000 0.947 270 T HN 0.371 nan 8.240 nan 0.000 0.544 271 P HA 0.006 nan 4.420 nan 0.000 0.261 271 P C 0.640 178.000 177.300 0.099 0.000 1.173 271 P CA -0.041 63.096 63.100 0.062 0.000 0.760 271 P CB 0.421 32.122 31.700 0.001 0.000 0.783 272 M N 4.961 124.634 119.600 0.120 0.000 2.099 272 M HA -0.085 4.397 4.480 0.002 0.000 0.262 272 M C 1.751 177.980 176.300 -0.118 0.000 1.067 272 M CA 1.518 56.821 55.300 0.005 0.000 1.124 272 M CB -1.154 31.435 32.600 -0.019 0.000 1.353 272 M HN 0.291 nan 8.290 nan 0.000 0.410 273 L N 0.191 121.359 121.223 -0.092 0.000 2.051 273 L HA -0.346 3.996 4.340 0.002 0.000 0.214 273 L C 1.818 178.615 176.870 -0.121 0.000 1.076 273 L CA 2.113 56.882 54.840 -0.119 0.000 0.758 273 L CB -0.891 41.120 42.059 -0.081 0.000 0.890 273 L HN 0.521 nan 8.230 nan 0.000 0.433 274 N N -0.690 117.965 118.700 -0.075 0.000 2.142 274 N HA -0.230 4.511 4.740 0.002 0.000 0.186 274 N C 1.674 177.143 175.510 -0.070 0.000 1.023 274 N CA 1.382 54.396 53.050 -0.059 0.000 0.852 274 N CB -0.144 38.333 38.487 -0.017 0.000 0.998 274 N HN 0.579 nan 8.380 nan 0.000 0.424 275 Q N 0.749 120.518 119.800 -0.053 0.000 2.084 275 Q HA -0.043 4.298 4.340 0.002 0.000 0.202 275 Q C 2.137 178.079 176.000 -0.097 0.000 0.978 275 Q CA 1.249 57.039 55.803 -0.022 0.000 0.844 275 Q CB -0.130 28.648 28.738 0.066 0.000 0.898 275 Q HN 0.425 nan 8.270 nan 0.000 0.426 276 M N 0.010 119.423 119.600 -0.312 0.000 2.159 276 M HA -0.156 4.325 4.480 0.002 0.000 0.263 276 M C 2.132 178.333 176.300 -0.164 0.000 1.063 276 M CA 0.933 55.995 55.300 -0.397 0.000 1.110 276 M CB -0.263 31.986 32.600 -0.585 0.000 1.374 276 M HN 0.189 nan 8.290 nan 0.000 0.411 277 L N 0.240 121.364 121.223 -0.165 0.000 2.017 277 L HA -0.105 4.237 4.340 0.002 0.000 0.208 277 L C 2.270 179.028 176.870 -0.188 0.000 1.073 277 L CA 1.589 56.339 54.840 -0.149 0.000 0.745 277 L CB -0.679 41.304 42.059 -0.126 0.000 0.894 277 L HN 0.014 nan 8.230 nan 0.000 0.432 278 V N -0.127 119.658 119.914 -0.216 0.000 2.252 278 V HA -0.396 3.725 4.120 0.002 0.000 0.249 278 V C 2.625 178.445 176.094 -0.457 0.000 1.056 278 V CA 2.247 64.324 62.300 -0.372 0.000 1.022 278 V CB -0.998 30.537 31.823 -0.481 0.000 0.641 278 V HN 0.683 nan 8.190 nan 0.000 0.445 279 H N -0.203 118.616 119.070 -0.418 0.000 2.319 279 H HA -0.174 4.383 4.556 0.002 0.000 0.299 279 H C 2.420 177.520 175.328 -0.380 0.000 1.092 279 H CA 1.793 57.571 56.048 -0.450 0.000 1.302 279 H CB 0.224 29.913 29.762 -0.121 0.000 1.373 279 H HN 0.407 nan 8.280 nan 0.000 0.497 280 E N 0.819 120.810 120.200 -0.348 0.000 2.085 280 E HA -0.151 4.200 4.350 0.002 0.000 0.194 280 E C 2.657 179.069 176.600 -0.313 0.000 0.994 280 E CA 0.702 56.911 56.400 -0.318 0.000 0.801 280 E CB -0.292 29.305 29.700 -0.172 0.000 0.743 280 E HN 0.544 nan 8.360 nan 0.000 0.453 281 L N -0.190 120.851 121.223 -0.303 0.000 2.156 281 L HA -0.147 4.194 4.340 0.002 0.000 0.208 281 L C 2.011 178.705 176.870 -0.294 0.000 1.095 281 L CA 0.484 55.177 54.840 -0.245 0.000 0.770 281 L CB -0.105 41.836 42.059 -0.197 0.000 0.914 281 L HN 0.105 nan 8.230 nan 0.000 0.439 282 L N -0.467 120.449 121.223 -0.513 0.000 2.556 282 L HA 0.001 4.342 4.340 0.002 0.000 0.226 282 L C 2.307 178.898 176.870 -0.465 0.000 1.089 282 L CA 1.045 55.512 54.840 -0.622 0.000 0.864 282 L CB -0.463 40.889 42.059 -1.179 0.000 1.067 282 L HN 0.259 nan 8.230 nan 0.000 0.477 283 K N -0.676 119.400 120.400 -0.539 0.000 2.283 283 K HA -0.042 4.279 4.320 0.002 0.000 0.202 283 K C 0.116 176.704 176.600 -0.020 0.000 1.048 283 K CA 0.873 57.014 56.287 -0.244 0.000 0.948 283 K CB 0.170 32.388 32.500 -0.470 0.000 0.742 283 K HN 0.107 nan 8.250 nan 0.000 0.458 284 E N 0.285 120.446 120.200 -0.064 0.000 2.191 284 E HA 0.214 4.565 4.350 0.002 0.000 0.263 284 E C -0.256 176.366 176.600 0.037 0.000 0.881 284 E CA -0.112 56.290 56.400 0.002 0.000 0.757 284 E CB 1.731 31.415 29.700 -0.028 0.000 1.147 284 E HN 0.444 nan 8.360 nan 0.000 0.414 285 G N 3.228 112.080 108.800 0.087 0.000 2.132 285 G HA2 -0.317 3.645 3.960 0.002 0.000 0.228 285 G HA3 -0.317 3.645 3.960 0.002 0.000 0.228 285 G C 0.513 175.514 174.900 0.168 0.000 1.000 285 G CA 0.208 45.365 45.100 0.096 0.000 0.693 285 G HN 0.545 nan 8.290 nan 0.000 0.515 286 F N 1.836 121.795 119.950 0.015 0.000 2.134 286 F HA 0.014 4.543 4.527 0.003 0.000 0.299 286 F C 2.432 178.239 175.800 0.011 0.000 1.097 286 F CA 2.025 60.031 58.000 0.010 0.000 1.264 286 F CB -0.622 38.395 39.000 0.028 0.000 1.001 286 F HN 0.205 nan 8.300 nan 0.000 0.479 287 S N 0.186 115.885 115.700 -0.001 0.000 2.359 287 S HA -0.216 4.255 4.470 0.002 0.000 0.224 287 S C 1.768 176.336 174.600 -0.055 0.000 1.035 287 S CA 1.608 59.756 58.200 -0.087 0.000 1.018 287 S CB -0.251 62.944 63.200 -0.007 0.000 0.876 287 S HN 0.381 nan 8.310 nan 0.000 0.448 288 E N 1.093 121.294 120.200 0.002 0.000 2.038 288 E HA -0.150 4.202 4.350 0.002 0.000 0.195 288 E C 2.061 178.664 176.600 0.005 0.000 1.000 288 E CA 1.163 57.569 56.400 0.009 0.000 0.803 288 E CB -0.384 29.333 29.700 0.028 0.000 0.750 288 E HN 0.468 nan 8.360 nan 0.000 0.448 289 R N 0.216 120.737 120.500 0.035 0.000 2.094 289 R HA -0.185 4.157 4.340 0.002 0.000 0.239 289 R C 1.930 178.237 176.300 0.012 0.000 1.137 289 R CA 1.437 57.572 56.100 0.059 0.000 0.943 289 R CB -0.391 30.011 30.300 0.169 0.000 0.850 289 R HN 0.128 nan 8.270 nan 0.000 0.433 290 L N 1.088 122.264 121.223 -0.079 0.000 2.131 290 L HA -0.092 4.249 4.340 0.002 0.000 0.210 290 L C 2.301 179.126 176.870 -0.075 0.000 1.092 290 L CA 1.756 56.527 54.840 -0.116 0.000 0.759 290 L CB -0.860 41.022 42.059 -0.295 0.000 0.903 290 L HN 0.273 nan 8.230 nan 0.000 0.435 291 E N -0.412 119.749 120.200 -0.065 0.000 2.106 291 E HA -0.218 4.133 4.350 0.002 0.000 0.192 291 E C 2.416 178.989 176.600 -0.044 0.000 0.984 291 E CA 0.988 57.357 56.400 -0.053 0.000 0.806 291 E CB -0.024 29.659 29.700 -0.029 0.000 0.750 291 E HN 0.298 nan 8.360 nan 0.000 0.458 292 R N -0.411 120.069 120.500 -0.033 0.000 2.073 292 R HA -0.108 4.233 4.340 0.002 0.000 0.234 292 R C 2.115 178.381 176.300 -0.057 0.000 1.134 292 R CA 1.534 57.608 56.100 -0.044 0.000 0.952 292 R CB -0.475 29.806 30.300 -0.032 0.000 0.850 292 R HN 0.100 nan 8.270 nan 0.000 0.433 293 V N 1.231 121.141 119.914 -0.008 0.000 2.278 293 V HA -0.330 3.791 4.120 0.002 0.000 0.251 293 V C 2.551 178.717 176.094 0.120 0.000 1.062 293 V CA 2.397 64.740 62.300 0.073 0.000 1.038 293 V CB -0.580 31.353 31.823 0.184 0.000 0.646 293 V HN 0.372 nan 8.190 nan 0.000 0.447 294 R N -0.560 119.971 120.500 0.052 0.000 2.070 294 R HA -0.136 4.205 4.340 0.002 0.000 0.233 294 R C 2.513 178.826 176.300 0.021 0.000 1.137 294 R CA 1.796 57.927 56.100 0.051 0.000 0.945 294 R CB -0.395 29.844 30.300 -0.102 0.000 0.845 294 R HN 0.409 nan 8.270 nan 0.000 0.430 295 R N -0.662 119.804 120.500 -0.056 0.000 2.094 295 R HA -0.146 4.196 4.340 0.002 0.000 0.239 295 R C 2.179 178.381 176.300 -0.163 0.000 1.137 295 R CA 1.924 57.962 56.100 -0.104 0.000 0.943 295 R CB -0.577 29.669 30.300 -0.090 0.000 0.850 295 R HN 0.078 nan 8.270 nan 0.000 0.433 296 V N -0.211 119.574 119.914 -0.214 0.000 2.287 296 V HA -0.288 3.834 4.120 0.002 0.000 0.248 296 V C 1.837 177.712 176.094 -0.364 0.000 1.053 296 V CA 1.858 63.952 62.300 -0.343 0.000 1.027 296 V CB -0.572 30.953 31.823 -0.498 0.000 0.646 296 V HN 0.364 nan 8.190 nan 0.000 0.447 297 Y N -0.406 119.885 120.300 -0.015 0.000 2.286 297 Y HA -0.080 4.471 4.550 0.002 0.000 0.293 297 Y C 2.723 178.397 175.900 -0.376 0.000 1.124 297 Y CA 1.313 59.450 58.100 0.062 0.000 1.178 297 Y CB -0.283 38.377 38.460 0.335 0.000 1.010 297 Y HN 0.024 nan 8.280 nan 0.000 0.536 298 R N 1.009 121.135 120.500 -0.623 0.000 2.112 298 R HA -0.290 4.051 4.340 0.002 0.000 0.242 298 R C 2.250 178.125 176.300 -0.708 0.000 1.137 298 R CA 2.304 57.673 56.100 -1.218 0.000 0.944 298 R CB -0.310 29.596 30.300 -0.658 0.000 0.857 298 R HN 0.509 nan 8.270 nan 0.000 0.435 299 E N 0.375 120.331 120.200 -0.407 0.000 2.077 299 E HA -0.218 4.133 4.350 0.002 0.000 0.193 299 E C 1.756 178.199 176.600 -0.262 0.000 0.989 299 E CA 1.447 57.680 56.400 -0.278 0.000 0.800 299 E CB 0.079 29.666 29.700 -0.188 0.000 0.746 299 E HN 0.276 nan 8.360 nan 0.000 0.452 300 K N 0.189 120.452 120.400 -0.228 0.000 2.097 300 K HA -0.088 4.233 4.320 0.002 0.000 0.206 300 K C 2.128 178.475 176.600 -0.421 0.000 1.049 300 K CA 1.082 57.280 56.287 -0.149 0.000 0.933 300 K CB -0.130 32.431 32.500 0.102 0.000 0.717 300 K HN 0.217 nan 8.250 nan 0.000 0.442 301 A N 1.106 123.449 122.820 -0.795 0.000 1.877 301 A HA -0.199 4.123 4.320 0.002 0.000 0.216 301 A C 2.086 179.301 177.584 -0.615 0.000 1.186 301 A CA 1.248 52.607 52.037 -1.129 0.000 0.620 301 A CB -0.343 18.049 19.000 -1.012 0.000 0.822 301 A HN 0.168 nan 8.150 nan 0.000 0.443 302 Q N -0.461 119.031 119.800 -0.513 0.000 2.084 302 Q HA -0.139 4.202 4.340 0.002 0.000 0.202 302 Q C 2.444 178.188 176.000 -0.427 0.000 0.978 302 Q CA 1.719 57.220 55.803 -0.504 0.000 0.844 302 Q CB -0.797 27.703 28.738 -0.397 0.000 0.898 302 Q HN 0.650 nan 8.270 nan 0.000 0.426 303 A N 0.572 123.261 122.820 -0.219 0.000 1.933 303 A HA -0.172 4.149 4.320 0.002 0.000 0.218 303 A C 2.097 179.630 177.584 -0.085 0.000 1.175 303 A CA 1.629 53.628 52.037 -0.062 0.000 0.628 303 A CB -0.502 18.477 19.000 -0.035 0.000 0.814 303 A HN 0.385 nan 8.150 nan 0.000 0.444 304 M N -0.794 118.702 119.600 -0.172 0.000 2.156 304 M HA -0.006 4.476 4.480 0.002 0.000 0.264 304 M C 1.949 178.127 176.300 -0.203 0.000 1.067 304 M CA 1.272 56.466 55.300 -0.177 0.000 1.131 304 M CB -0.217 32.284 32.600 -0.165 0.000 1.368 304 M HN 0.428 nan 8.290 nan 0.000 0.416 305 L N -0.762 120.322 121.223 -0.231 0.000 2.017 305 L HA -0.277 4.064 4.340 0.002 0.000 0.208 305 L C 2.292 179.113 176.870 -0.083 0.000 1.073 305 L CA 1.734 56.473 54.840 -0.169 0.000 0.745 305 L CB -1.185 40.754 42.059 -0.200 0.000 0.894 305 L HN 0.413 nan 8.230 nan 0.000 0.432 306 H N -0.728 118.302 119.070 -0.067 0.000 2.319 306 H HA -0.209 4.349 4.556 0.002 0.000 0.297 306 H C 2.317 177.615 175.328 -0.050 0.000 1.097 306 H CA 1.050 57.071 56.048 -0.046 0.000 1.285 306 H CB -0.047 29.684 29.762 -0.052 0.000 1.368 306 H HN 0.425 nan 8.280 nan 0.000 0.495 307 A N 0.811 123.664 122.820 0.056 0.000 1.908 307 A HA -0.157 4.164 4.320 0.002 0.000 0.218 307 A C 2.381 179.926 177.584 -0.065 0.000 1.181 307 A CA 1.430 53.462 52.037 -0.009 0.000 0.627 307 A CB -0.757 18.226 19.000 -0.028 0.000 0.818 307 A HN 0.279 nan 8.150 nan 0.000 0.445 308 L N -0.530 120.597 121.223 -0.161 0.000 2.056 308 L HA -0.172 4.169 4.340 0.002 0.000 0.207 308 L C 2.080 178.905 176.870 -0.074 0.000 1.078 308 L CA 1.350 56.015 54.840 -0.292 0.000 0.749 308 L CB -0.662 40.927 42.059 -0.784 0.000 0.901 308 L HN 0.273 nan 8.230 nan 0.000 0.433 309 D N -0.134 120.305 120.400 0.065 0.000 2.149 309 D HA -0.227 4.414 4.640 0.002 0.000 0.198 309 D C 2.230 178.585 176.300 0.092 0.000 0.990 309 D CA 1.235 55.332 54.000 0.162 0.000 0.839 309 D CB -0.131 40.761 40.800 0.153 0.000 0.948 309 D HN 0.307 nan 8.370 nan 0.000 0.460 310 R N 0.370 120.901 120.500 0.052 0.000 2.173 310 R HA -0.021 4.321 4.340 0.002 0.000 0.208 310 R C 1.232 177.545 176.300 0.022 0.000 1.035 310 R CA 0.838 56.957 56.100 0.032 0.000 1.004 310 R CB 0.361 30.674 30.300 0.021 0.000 0.917 310 R HN -0.037 nan 8.270 nan 0.000 0.462 311 E N 0.039 120.244 120.200 0.008 0.000 2.413 311 E HA 0.124 4.475 4.350 0.002 0.000 0.203 311 E C -0.232 176.370 176.600 0.004 0.000 0.957 311 E CA 0.136 56.537 56.400 0.002 0.000 0.950 311 E CB 1.156 30.850 29.700 -0.010 0.000 0.957 311 E HN 0.030 nan 8.360 nan 0.000 0.497 312 V N 4.284 124.204 119.914 0.010 0.000 2.370 312 V HA 0.228 4.349 4.120 0.002 0.000 0.279 312 V C -2.247 173.890 176.094 0.071 0.000 1.029 312 V CA -1.918 60.398 62.300 0.026 0.000 0.870 312 V CB 1.358 33.175 31.823 -0.010 0.000 0.984 312 V HN -0.039 nan 8.190 nan 0.000 0.451 313 P HA 0.004 nan 4.420 nan 0.000 0.264 313 P C 0.462 177.795 177.300 0.056 0.000 1.179 313 P CA -0.065 63.061 63.100 0.042 0.000 0.763 313 P CB 0.600 32.315 31.700 0.026 0.000 0.806 314 K N 2.553 122.975 120.400 0.036 0.000 2.439 314 K HA -0.115 4.206 4.320 0.002 0.000 0.197 314 K C 1.152 177.750 176.600 -0.003 0.000 1.041 314 K CA 1.341 57.639 56.287 0.019 0.000 0.970 314 K CB -0.305 32.200 32.500 0.007 0.000 0.773 314 K HN 0.418 nan 8.250 nan 0.000 0.479 315 E N -0.322 119.880 120.200 0.003 0.000 2.268 315 E HA -0.080 4.271 4.350 0.002 0.000 0.195 315 E C 0.413 177.007 176.600 -0.010 0.000 0.995 315 E CA 0.619 57.015 56.400 -0.006 0.000 0.836 315 E CB 0.032 29.731 29.700 -0.002 0.000 0.763 315 E HN 0.141 nan 8.360 nan 0.000 0.491 316 V N 0.941 120.860 119.914 0.008 0.000 2.481 316 V HA 0.351 4.472 4.120 0.002 0.000 0.286 316 V C -0.591 175.506 176.094 0.005 0.000 1.042 316 V CA -0.772 61.536 62.300 0.014 0.000 0.928 316 V CB 1.301 33.141 31.823 0.028 0.000 0.986 316 V HN -0.031 nan 8.190 nan 0.000 0.462 317 R N 4.955 125.433 120.500 -0.037 0.000 2.604 317 R HA 0.759 5.100 4.340 0.002 0.000 0.287 317 R C -1.312 174.967 176.300 -0.035 0.000 0.970 317 R CA -0.256 55.762 56.100 -0.136 0.000 0.946 317 R CB 1.834 32.068 30.300 -0.109 0.000 1.127 317 R HN 0.901 nan 8.270 nan 0.000 0.473 318 Y N -2.696 117.584 120.300 -0.034 0.000 2.655 318 Y HA 0.567 5.119 4.550 0.002 0.000 0.336 318 Y C -0.325 175.597 175.900 0.038 0.000 1.154 318 Y CA -1.479 56.608 58.100 -0.022 0.000 1.055 318 Y CB 0.712 39.145 38.460 -0.045 0.000 1.295 318 Y HN 0.617 nan 8.280 nan 0.000 0.465 319 T N -0.708 114.015 114.554 0.281 0.000 2.881 319 T HA 0.672 5.023 4.350 0.002 0.000 0.278 319 T C -0.482 174.359 174.700 0.236 0.000 0.982 319 T CA -1.117 61.111 62.100 0.213 0.000 0.989 319 T CB 1.069 70.078 68.868 0.236 0.000 1.058 319 T HN 0.754 nan 8.240 nan 0.000 0.529 320 R N 1.595 122.192 120.500 0.162 0.000 2.415 320 R HA 0.360 4.701 4.340 0.002 0.000 0.292 320 R C -2.679 173.708 176.300 0.144 0.000 1.295 320 R CA -1.675 54.508 56.100 0.140 0.000 1.137 320 R CB 1.126 31.480 30.300 0.090 0.000 1.135 320 R HN 0.580 nan 8.270 nan 0.000 0.560 321 P HA 0.107 nan 4.420 nan 0.000 0.275 321 P C -0.380 177.034 177.300 0.190 0.000 1.228 321 P CA -0.351 62.862 63.100 0.188 0.000 0.786 321 P CB 1.244 33.088 31.700 0.239 0.000 0.927 322 K N 0.713 121.188 120.400 0.126 0.000 2.417 322 K HA 0.360 4.682 4.320 0.002 0.000 0.196 322 K C 0.910 177.215 176.600 -0.492 0.000 1.023 322 K CA -0.013 56.339 56.287 0.109 0.000 1.122 322 K CB 0.333 32.981 32.500 0.246 0.000 0.850 322 K HN 0.754 nan 8.250 nan 0.000 0.521 323 G N -0.838 107.220 108.800 -1.237 0.000 2.320 323 G HA2 0.394 4.355 3.960 0.002 0.000 0.296 323 G HA3 0.394 4.355 3.960 0.002 0.000 0.296 323 G C -0.331 173.582 174.900 -1.644 0.000 1.306 323 G CA -0.351 43.118 45.100 -2.717 0.000 0.836 323 G HN 0.227 nan 8.290 nan 0.000 0.517 324 G N -1.058 106.961 108.800 -1.303 0.000 2.553 324 G HA2 -0.007 3.955 3.960 0.002 0.000 0.242 324 G HA3 -0.007 3.955 3.960 0.002 0.000 0.242 324 G C 0.765 175.369 174.900 -0.493 0.000 1.277 324 G CA 0.922 45.645 45.100 -0.629 0.000 0.910 324 G HN 1.358 nan 8.290 nan 0.000 0.576 325 M N -0.539 118.510 119.600 -0.919 0.000 2.289 325 M HA 0.404 4.886 4.480 0.002 0.000 0.335 325 M C -0.590 174.655 176.300 -1.759 0.000 0.961 325 M CA 0.365 54.810 55.300 -1.425 0.000 1.018 325 M CB 0.851 32.533 32.600 -1.529 0.000 1.678 325 M HN 0.211 nan 8.290 nan 0.000 0.589 326 F N -0.130 119.494 119.950 -0.543 0.000 2.563 326 F HA 0.604 5.132 4.527 0.002 0.000 0.316 326 F C -0.194 175.662 175.800 0.094 0.000 1.076 326 F CA -1.419 56.434 58.000 -0.245 0.000 0.921 326 F CB 1.255 40.143 39.000 -0.187 0.000 1.209 326 F HN -0.424 nan 8.300 nan 0.000 0.462 327 V N 2.090 122.218 119.914 0.358 0.000 2.513 327 V HA 0.287 4.409 4.120 0.002 0.000 0.299 327 V C -1.064 175.214 176.094 0.306 0.000 1.035 327 V CA -0.971 61.518 62.300 0.315 0.000 0.889 327 V CB 2.169 34.126 31.823 0.223 0.000 0.988 327 V HN 0.828 nan 8.190 nan 0.000 0.440 328 W N 7.222 128.559 121.300 0.062 0.000 2.376 328 W HA 0.643 5.305 4.660 0.002 0.000 0.312 328 W C -0.885 175.658 176.519 0.041 0.000 1.060 328 W CA -0.838 56.505 57.345 -0.003 0.000 1.221 328 W CB 1.706 31.145 29.460 -0.035 0.000 1.281 328 W HN 0.581 nan 8.180 nan 0.000 0.456 329 M N 5.456 124.797 119.600 -0.433 0.000 2.436 329 M HA 0.362 4.843 4.480 0.002 0.000 0.331 329 M C -1.220 174.758 176.300 -0.536 0.000 1.135 329 M CA -0.049 55.048 55.300 -0.338 0.000 0.987 329 M CB 1.790 34.231 32.600 -0.264 0.000 1.687 329 M HN 0.456 nan 8.290 nan 0.000 0.445 330 E N 4.836 124.865 120.200 -0.286 0.000 2.199 330 E HA 0.443 4.794 4.350 0.002 0.000 0.265 330 E C -1.489 175.030 176.600 -0.135 0.000 0.882 330 E CA -0.604 55.654 56.400 -0.236 0.000 0.759 330 E CB 2.221 31.841 29.700 -0.134 0.000 1.148 330 E HN 0.663 nan 8.360 nan 0.000 0.412 331 L N 4.080 125.226 121.223 -0.129 0.000 2.350 331 L HA 0.346 4.687 4.340 0.002 0.000 0.275 331 L C -1.982 174.857 176.870 -0.052 0.000 1.099 331 L CA -2.294 52.499 54.840 -0.079 0.000 0.808 331 L CB 0.303 42.319 42.059 -0.073 0.000 1.149 331 L HN 0.280 nan 8.230 nan 0.000 0.442 332 P HA -0.052 nan 4.420 nan 0.000 0.256 332 P C -0.592 176.695 177.300 -0.022 0.000 1.189 332 P CA -0.052 63.034 63.100 -0.024 0.000 0.808 332 P CB -0.157 31.533 31.700 -0.016 0.000 0.793 333 K N 2.181 122.567 120.400 -0.023 0.000 2.393 333 K HA 0.149 4.471 4.320 0.002 0.000 0.264 333 K C 1.255 177.845 176.600 -0.017 0.000 0.979 333 K CA 0.161 56.433 56.287 -0.025 0.000 0.893 333 K CB -0.598 31.887 32.500 -0.025 0.000 0.967 333 K HN 0.517 nan 8.250 nan 0.000 0.521 334 G N 0.281 109.070 108.800 -0.018 0.000 2.579 334 G HA2 -0.269 3.692 3.960 0.002 0.000 0.222 334 G HA3 -0.269 3.692 3.960 0.002 0.000 0.222 334 G C 0.066 174.962 174.900 -0.006 0.000 1.201 334 G CA 0.104 45.197 45.100 -0.011 0.000 0.710 334 G HN 0.489 nan 8.290 nan 0.000 0.516 335 L N 2.193 123.412 121.223 -0.007 0.000 2.513 335 L HA 0.393 4.735 4.340 0.002 0.000 0.272 335 L C 1.000 177.874 176.870 0.006 0.000 1.187 335 L CA 0.388 55.230 54.840 0.002 0.000 0.895 335 L CB 1.140 43.197 42.059 -0.002 0.000 1.147 335 L HN 0.363 nan 8.230 nan 0.000 0.483 336 S N 2.362 118.078 115.700 0.027 0.000 2.474 336 S HA 0.327 4.799 4.470 0.002 0.000 0.276 336 S C 1.066 175.717 174.600 0.084 0.000 1.227 336 S CA -0.139 58.087 58.200 0.044 0.000 1.050 336 S CB 1.431 64.663 63.200 0.053 0.000 0.939 336 S HN 0.705 nan 8.310 nan 0.000 0.490 337 A N 5.004 127.876 122.820 0.088 0.000 1.933 337 A HA -0.047 4.275 4.320 0.002 0.000 0.218 337 A C 2.133 179.909 177.584 0.321 0.000 1.175 337 A CA 1.097 53.242 52.037 0.179 0.000 0.628 337 A CB -0.537 18.540 19.000 0.128 0.000 0.814 337 A HN 0.847 nan 8.150 nan 0.000 0.444 338 E N -0.285 120.031 120.200 0.193 0.000 2.038 338 E HA -0.168 4.183 4.350 0.002 0.000 0.195 338 E C 2.254 178.989 176.600 0.224 0.000 1.000 338 E CA 1.336 57.838 56.400 0.171 0.000 0.803 338 E CB -0.737 29.009 29.700 0.076 0.000 0.750 338 E HN 0.540 nan 8.360 nan 0.000 0.448 339 G N 1.723 110.619 108.800 0.161 0.000 2.476 339 G HA2 -0.263 3.698 3.960 0.002 0.000 0.218 339 G HA3 -0.263 3.698 3.960 0.002 0.000 0.218 339 G C 1.687 176.690 174.900 0.171 0.000 1.164 339 G CA 0.660 45.842 45.100 0.137 0.000 0.768 339 G HN 0.251 nan 8.290 nan 0.000 0.560 340 L N -0.606 120.756 121.223 0.231 0.000 2.079 340 L HA -0.043 4.299 4.340 0.002 0.000 0.210 340 L C 2.576 179.673 176.870 0.378 0.000 1.081 340 L CA 1.501 56.518 54.840 0.294 0.000 0.752 340 L CB -0.307 41.946 42.059 0.323 0.000 0.896 340 L HN 0.315 nan 8.230 nan 0.000 0.433 341 F N 1.176 121.263 119.950 0.229 0.000 2.102 341 F HA -0.251 4.278 4.527 0.002 0.000 0.298 341 F C 2.702 178.428 175.800 -0.123 0.000 1.105 341 F CA 1.549 59.438 58.000 -0.186 0.000 1.239 341 F CB -0.226 38.584 39.000 -0.317 0.000 0.991 341 F HN 0.027 nan 8.300 nan 0.000 0.474 342 R N 0.535 121.007 120.500 -0.045 0.000 2.081 342 R HA -0.118 4.224 4.340 0.002 0.000 0.235 342 R C 2.241 178.456 176.300 -0.141 0.000 1.131 342 R CA 1.531 57.559 56.100 -0.120 0.000 0.960 342 R CB -1.117 29.200 30.300 0.029 0.000 0.856 342 R HN 0.354 nan 8.270 nan 0.000 0.436 343 R N 0.864 121.336 120.500 -0.046 0.000 2.081 343 R HA -0.020 4.321 4.340 0.002 0.000 0.235 343 R C 2.429 178.702 176.300 -0.046 0.000 1.131 343 R CA 1.409 57.495 56.100 -0.022 0.000 0.960 343 R CB -0.446 29.874 30.300 0.034 0.000 0.856 343 R HN 0.278 nan 8.270 nan 0.000 0.436 344 A N 1.227 124.018 122.820 -0.048 0.000 1.930 344 A HA -0.093 4.228 4.320 0.002 0.000 0.217 344 A C 2.148 179.631 177.584 -0.169 0.000 1.175 344 A CA 0.896 52.913 52.037 -0.033 0.000 0.627 344 A CB -0.441 18.633 19.000 0.124 0.000 0.815 344 A HN 0.190 nan 8.150 nan 0.000 0.443 345 L N -0.542 120.466 121.223 -0.359 0.000 2.191 345 L HA -0.181 4.160 4.340 0.002 0.000 0.212 345 L C 2.391 179.144 176.870 -0.195 0.000 1.103 345 L CA 1.542 56.163 54.840 -0.365 0.000 0.769 345 L CB -0.522 41.208 42.059 -0.549 0.000 0.908 345 L HN 0.554 nan 8.230 nan 0.000 0.438 346 E N -0.175 119.939 120.200 -0.143 0.000 2.153 346 E HA -0.185 4.166 4.350 0.002 0.000 0.194 346 E C 1.148 177.711 176.600 -0.061 0.000 0.988 346 E CA 0.839 57.189 56.400 -0.083 0.000 0.811 346 E CB 0.131 29.798 29.700 -0.056 0.000 0.746 346 E HN 0.476 nan 8.360 nan 0.000 0.466 347 E N 0.730 120.896 120.200 -0.058 0.000 2.403 347 E HA 0.028 4.380 4.350 0.002 0.000 0.188 347 E C -0.286 176.287 176.600 -0.045 0.000 1.056 347 E CA -0.128 56.252 56.400 -0.034 0.000 0.892 347 E CB 0.014 29.710 29.700 -0.006 0.000 1.049 347 E HN 0.131 nan 8.360 nan 0.000 0.465 348 N N 0.578 119.234 118.700 -0.074 0.000 2.740 348 N HA -0.164 4.578 4.740 0.002 0.000 0.248 348 N C -0.665 174.787 175.510 -0.098 0.000 1.062 348 N CA 0.917 53.916 53.050 -0.085 0.000 0.704 348 N CB -1.759 36.691 38.487 -0.063 0.000 0.968 348 N HN 0.277 nan 8.380 nan 0.000 0.547 349 V N -1.652 118.201 119.914 -0.102 0.000 2.638 349 V HA 0.892 5.014 4.120 0.002 0.000 0.306 349 V C -0.593 175.443 176.094 -0.097 0.000 1.052 349 V CA -0.280 61.963 62.300 -0.094 0.000 0.885 349 V CB 1.945 33.774 31.823 0.011 0.000 0.999 349 V HN 0.361 nan 8.190 nan 0.000 0.424 350 A N 6.391 129.169 122.820 -0.070 0.000 2.365 350 A HA 1.034 5.355 4.320 0.002 0.000 0.318 350 A C -0.877 176.860 177.584 0.254 0.000 1.091 350 A CA -0.532 51.493 52.037 -0.020 0.000 0.763 350 A CB 1.339 20.348 19.000 0.014 0.000 1.248 350 A HN 1.756 nan 8.150 nan 0.000 0.442 351 F N -0.311 119.873 119.950 0.390 0.000 2.726 351 F HA 0.802 5.331 4.527 0.002 0.000 0.324 351 F C -1.039 174.967 175.800 0.344 0.000 1.140 351 F CA -1.380 56.841 58.000 0.367 0.000 0.964 351 F CB 1.257 40.453 39.000 0.326 0.000 1.399 351 F HN 0.270 nan 8.300 nan 0.000 0.491 352 V N 1.735 122.006 119.914 0.596 0.000 2.328 352 V HA 0.410 4.532 4.120 0.002 0.000 0.278 352 V C -2.384 174.038 176.094 0.546 0.000 1.021 352 V CA -2.060 60.483 62.300 0.404 0.000 0.838 352 V CB 0.826 32.925 31.823 0.460 0.000 0.999 352 V HN 0.513 nan 8.190 nan 0.000 0.447 353 P HA 0.046 nan 4.420 nan 0.000 0.266 353 P C 1.145 178.678 177.300 0.388 0.000 1.193 353 P CA 0.444 63.747 63.100 0.339 0.000 0.770 353 P CB 0.750 32.525 31.700 0.125 0.000 0.836 354 G N 2.442 111.455 108.800 0.356 0.000 2.422 354 G HA2 -0.185 3.777 3.960 0.002 0.000 0.218 354 G HA3 -0.185 3.777 3.960 0.002 0.000 0.218 354 G C 1.746 177.088 174.900 0.736 0.000 1.140 354 G CA 0.795 46.290 45.100 0.659 0.000 0.775 354 G HN 0.634 nan 8.290 nan 0.000 0.545 355 G N 2.036 111.063 108.800 0.378 0.000 2.759 355 G HA2 -0.297 3.664 3.960 0.002 0.000 0.224 355 G HA3 -0.297 3.664 3.960 0.002 0.000 0.224 355 G C 0.114 175.145 174.900 0.219 0.000 1.173 355 G CA 1.508 46.755 45.100 0.244 0.000 0.770 355 G HN 0.458 nan 8.290 nan 0.000 0.626 356 P HA -0.021 nan 4.420 nan 0.000 0.221 356 P C 1.151 178.245 177.300 -0.343 0.000 1.145 356 P CA 0.764 63.714 63.100 -0.251 0.000 0.795 356 P CB -0.178 31.219 31.700 -0.505 0.000 0.775 357 F N -2.905 117.063 119.950 0.030 0.000 2.789 357 F HA 0.160 4.688 4.527 0.002 0.000 0.300 357 F C 0.784 176.384 175.800 -0.333 0.000 1.132 357 F CA 0.159 58.063 58.000 -0.160 0.000 1.404 357 F CB -0.598 38.289 39.000 -0.189 0.000 1.114 357 F HN -0.222 nan 8.300 nan 0.000 0.584 358 F N -0.204 119.783 119.950 0.062 0.000 2.334 358 F HA 0.467 4.995 4.527 0.003 0.000 0.367 358 F C 1.204 176.929 175.800 -0.125 0.000 1.115 358 F CA -0.866 57.132 58.000 -0.003 0.000 1.116 358 F CB 0.872 39.905 39.000 0.054 0.000 1.230 358 F HN -0.078 nan 8.300 nan 0.000 0.484 359 A N 3.035 125.772 122.820 -0.138 0.000 1.940 359 A HA -0.237 4.084 4.320 0.002 0.000 0.219 359 A C 1.458 178.920 177.584 -0.203 0.000 1.176 359 A CA 1.786 53.569 52.037 -0.423 0.000 0.631 359 A CB -0.537 17.906 19.000 -0.927 0.000 0.814 359 A HN 0.838 nan 8.150 nan 0.000 0.446 360 N N -0.995 117.697 118.700 -0.014 0.000 2.273 360 N HA 0.415 5.157 4.740 0.002 0.000 0.231 360 N C 0.419 175.966 175.510 0.062 0.000 1.134 360 N CA 0.205 53.289 53.050 0.057 0.000 0.856 360 N CB 0.587 39.132 38.487 0.097 0.000 1.068 360 N HN 0.675 nan 8.380 nan 0.000 0.510 361 G N -0.108 108.735 108.800 0.072 0.000 2.796 361 G HA2 0.234 4.195 3.960 0.002 0.000 0.571 361 G HA3 0.234 4.195 3.960 0.002 0.000 0.571 361 G C 0.074 174.961 174.900 -0.021 0.000 1.370 361 G CA -0.751 44.373 45.100 0.039 0.000 0.856 361 G HN 0.672 nan 8.290 nan 0.000 0.538 362 G N -1.794 106.927 108.800 -0.133 0.000 2.610 362 G HA2 0.528 4.490 3.960 0.002 0.000 0.304 362 G HA3 0.528 4.490 3.960 0.002 0.000 0.304 362 G C 1.622 176.143 174.900 -0.631 0.000 1.309 362 G CA 1.228 46.132 45.100 -0.327 0.000 0.906 362 G HN 3.156 nan 8.290 nan 0.000 0.521 363 G N -2.069 106.226 108.800 -0.842 0.000 2.203 363 G HA2 0.155 4.116 3.960 0.002 0.000 0.263 363 G HA3 0.155 4.116 3.960 0.002 0.000 0.263 363 G C 1.261 176.016 174.900 -0.242 0.000 1.012 363 G CA 1.980 46.577 45.100 -0.837 0.000 0.749 363 G HN 2.427 nan 8.290 nan 0.000 0.512 364 E N 0.772 120.869 120.200 -0.172 0.000 2.265 364 E HA -0.135 4.217 4.350 0.002 0.000 0.196 364 E C 1.915 178.491 176.600 -0.040 0.000 0.996 364 E CA 1.518 57.881 56.400 -0.061 0.000 0.832 364 E CB -0.626 29.043 29.700 -0.052 0.000 0.756 364 E HN 0.979 nan 8.360 nan 0.000 0.491 365 N N 0.658 119.314 118.700 -0.072 0.000 2.322 365 N HA -0.034 4.708 4.740 0.002 0.000 0.194 365 N C 0.573 176.003 175.510 -0.133 0.000 1.126 365 N CA 0.934 53.939 53.050 -0.074 0.000 0.845 365 N CB 0.060 38.505 38.487 -0.069 0.000 0.976 365 N HN 0.422 nan 8.380 nan 0.000 0.475 366 T N -0.619 113.839 114.554 -0.159 0.000 2.950 366 T HA 0.694 5.045 4.350 0.002 0.000 0.288 366 T C -0.175 174.265 174.700 -0.433 0.000 1.035 366 T CA -0.844 61.011 62.100 -0.409 0.000 1.028 366 T CB 2.075 70.690 68.868 -0.422 0.000 1.109 366 T HN 0.148 nan 8.240 nan 0.000 0.514 367 L N -1.381 119.376 121.223 -0.776 0.000 2.622 367 L HA 0.671 5.013 4.340 0.002 0.000 0.258 367 L C -1.251 175.375 176.870 -0.407 0.000 0.996 367 L CA -1.090 53.499 54.840 -0.417 0.000 0.858 367 L CB 1.764 43.647 42.059 -0.292 0.000 1.449 367 L HN 0.991 nan 8.230 nan 0.000 0.411 368 R N 1.452 121.967 120.500 0.026 0.000 2.338 368 R HA 0.814 5.155 4.340 0.002 0.000 0.317 368 R C -1.521 174.901 176.300 0.203 0.000 0.968 368 R CA -0.651 55.528 56.100 0.132 0.000 0.849 368 R CB 1.454 31.741 30.300 -0.022 0.000 1.128 368 R HN 0.797 nan 8.270 nan 0.000 0.448 369 L N 2.711 124.050 121.223 0.193 0.000 2.313 369 L HA 0.361 4.702 4.340 0.002 0.000 0.283 369 L C -0.158 176.897 176.870 0.308 0.000 1.013 369 L CA -0.586 54.389 54.840 0.226 0.000 0.816 369 L CB 1.989 44.055 42.059 0.011 0.000 1.236 369 L HN 0.556 nan 8.230 nan 0.000 0.419 370 S N 1.750 117.677 115.700 0.377 0.000 2.451 370 S HA 0.381 4.852 4.470 0.002 0.000 0.301 370 S C 0.091 174.805 174.600 0.190 0.000 1.116 370 S CA -0.577 57.746 58.200 0.205 0.000 1.093 370 S CB 0.649 64.029 63.200 0.301 0.000 1.017 370 S HN 0.493 nan 8.310 nan 0.000 0.482 371 Y N 3.091 123.491 120.300 0.167 0.000 2.524 371 Y HA 0.582 5.133 4.550 0.002 0.000 0.266 371 Y C 1.541 177.557 175.900 0.194 0.000 1.180 371 Y CA -0.139 58.068 58.100 0.179 0.000 1.244 371 Y CB -0.854 37.654 38.460 0.079 0.000 1.125 371 Y HN 0.629 nan 8.280 nan 0.000 0.524 372 A N 0.732 123.605 122.820 0.088 0.000 1.898 372 A HA -0.111 4.211 4.320 0.002 0.000 0.216 372 A C 2.074 179.817 177.584 0.265 0.000 1.181 372 A CA 2.266 54.441 52.037 0.229 0.000 0.620 372 A CB -0.977 18.004 19.000 -0.031 0.000 0.819 372 A HN 0.465 nan 8.150 nan 0.000 0.442 373 T N -0.507 114.160 114.554 0.188 0.000 2.983 373 T HA 0.286 4.638 4.350 0.002 0.000 0.250 373 T C 0.719 175.481 174.700 0.103 0.000 1.037 373 T CA 0.149 62.327 62.100 0.129 0.000 1.142 373 T CB -0.199 68.738 68.868 0.115 0.000 0.876 373 T HN 0.219 nan 8.240 nan 0.000 0.455 374 L N 1.993 123.297 121.223 0.135 0.000 2.418 374 L HA 0.407 4.748 4.340 0.002 0.000 0.265 374 L C 0.370 177.300 176.870 0.099 0.000 1.143 374 L CA -0.791 54.111 54.840 0.103 0.000 0.809 374 L CB 0.629 42.756 42.059 0.113 0.000 1.124 374 L HN 0.154 nan 8.230 nan 0.000 0.456 375 D N 0.460 120.894 120.400 0.058 0.000 2.398 375 D HA 0.105 4.746 4.640 0.002 0.000 0.247 375 D C 1.226 177.559 176.300 0.055 0.000 1.227 375 D CA -0.190 53.832 54.000 0.036 0.000 0.980 375 D CB 0.853 41.660 40.800 0.012 0.000 1.106 375 D HN 0.334 nan 8.370 nan 0.000 0.493 376 R N 0.186 120.704 120.500 0.031 0.000 2.133 376 R HA -0.199 4.142 4.340 0.002 0.000 0.245 376 R C 1.731 178.061 176.300 0.050 0.000 1.137 376 R CA 1.511 57.630 56.100 0.033 0.000 0.947 376 R CB -0.370 29.935 30.300 0.008 0.000 0.865 376 R HN 0.587 nan 8.270 nan 0.000 0.437 377 E N -0.196 120.028 120.200 0.040 0.000 2.216 377 E HA -0.064 4.288 4.350 0.002 0.000 0.192 377 E C 2.061 178.699 176.600 0.064 0.000 0.988 377 E CA 0.930 57.356 56.400 0.044 0.000 0.834 377 E CB -0.100 29.616 29.700 0.026 0.000 0.772 377 E HN 0.487 nan 8.360 nan 0.000 0.479 378 G N 1.553 110.393 108.800 0.066 0.000 2.446 378 G HA2 -0.245 3.717 3.960 0.002 0.000 0.217 378 G HA3 -0.245 3.717 3.960 0.002 0.000 0.217 378 G C 1.745 176.743 174.900 0.163 0.000 1.168 378 G CA 0.723 45.866 45.100 0.072 0.000 0.771 378 G HN 0.201 nan 8.290 nan 0.000 0.551 379 I N 1.423 122.132 120.570 0.232 0.000 2.127 379 I HA -0.237 3.934 4.170 0.002 0.000 0.241 379 I C 3.361 179.636 176.117 0.264 0.000 1.075 379 I CA 1.165 62.690 61.300 0.374 0.000 1.334 379 I CB -0.386 37.756 38.000 0.236 0.000 1.040 379 I HN 0.261 nan 8.210 nan 0.000 0.405 380 A N 0.382 123.285 122.820 0.139 0.000 1.917 380 A HA -0.302 4.020 4.320 0.002 0.000 0.219 380 A C 2.202 179.850 177.584 0.106 0.000 1.182 380 A CA 2.379 54.470 52.037 0.090 0.000 0.633 380 A CB -0.610 18.424 19.000 0.057 0.000 0.819 380 A HN 0.481 nan 8.150 nan 0.000 0.448 381 E N -0.176 120.093 120.200 0.115 0.000 2.072 381 E HA 0.020 4.371 4.350 0.002 0.000 0.190 381 E C 2.008 178.691 176.600 0.138 0.000 0.982 381 E CA 1.485 57.942 56.400 0.095 0.000 0.803 381 E CB -0.864 28.871 29.700 0.060 0.000 0.755 381 E HN 0.365 nan 8.360 nan 0.000 0.453 382 G N 0.155 109.093 108.800 0.230 0.000 2.418 382 G HA2 -0.219 3.742 3.960 0.002 0.000 0.217 382 G HA3 -0.219 3.742 3.960 0.002 0.000 0.217 382 G C 1.692 176.875 174.900 0.472 0.000 1.158 382 G CA 1.100 46.408 45.100 0.347 0.000 0.771 382 G HN 0.261 nan 8.290 nan 0.000 0.545 383 V N 1.773 121.892 119.914 0.341 0.000 2.453 383 V HA -0.138 3.983 4.120 0.002 0.000 0.247 383 V C 2.901 179.035 176.094 0.067 0.000 1.048 383 V CA 2.082 64.439 62.300 0.095 0.000 1.049 383 V CB -0.404 31.371 31.823 -0.081 0.000 0.672 383 V HN 0.630 nan 8.190 nan 0.000 0.457 384 R N 1.013 121.558 120.500 0.075 0.000 2.081 384 R HA -0.164 4.178 4.340 0.002 0.000 0.235 384 R C 2.261 178.595 176.300 0.057 0.000 1.131 384 R CA 1.781 57.911 56.100 0.051 0.000 0.960 384 R CB -0.526 29.800 30.300 0.044 0.000 0.856 384 R HN 0.379 nan 8.270 nan 0.000 0.436 385 R N 0.577 121.126 120.500 0.082 0.000 2.090 385 R HA 0.032 4.374 4.340 0.002 0.000 0.228 385 R C 2.464 178.818 176.300 0.090 0.000 1.110 385 R CA 1.178 57.323 56.100 0.075 0.000 0.973 385 R CB -0.442 29.902 30.300 0.074 0.000 0.869 385 R HN 0.260 nan 8.270 nan 0.000 0.440 386 L N 0.499 121.799 121.223 0.127 0.000 2.046 386 L HA -0.108 4.234 4.340 0.002 0.000 0.208 386 L C 2.259 179.161 176.870 0.053 0.000 1.077 386 L CA 1.636 56.547 54.840 0.119 0.000 0.747 386 L CB -0.800 41.338 42.059 0.131 0.000 0.896 386 L HN 0.334 nan 8.230 nan 0.000 0.432 387 G N -0.311 108.508 108.800 0.031 0.000 2.491 387 G HA2 -0.303 3.659 3.960 0.002 0.000 0.218 387 G HA3 -0.303 3.659 3.960 0.002 0.000 0.218 387 G C 1.628 176.543 174.900 0.025 0.000 1.180 387 G CA 0.707 45.816 45.100 0.015 0.000 0.774 387 G HN 0.321 nan 8.290 nan 0.000 0.562 388 R N 0.496 121.015 120.500 0.031 0.000 2.083 388 R HA -0.045 4.296 4.340 0.002 0.000 0.237 388 R C 3.046 179.365 176.300 0.031 0.000 1.137 388 R CA 1.290 57.407 56.100 0.028 0.000 0.951 388 R CB -0.503 29.813 30.300 0.027 0.000 0.851 388 R HN 0.358 nan 8.270 nan 0.000 0.434 389 A N 0.964 123.809 122.820 0.042 0.000 1.978 389 A HA -0.134 4.187 4.320 0.002 0.000 0.220 389 A C 2.145 179.756 177.584 0.046 0.000 1.170 389 A CA 1.186 53.253 52.037 0.049 0.000 0.636 389 A CB -0.421 18.624 19.000 0.074 0.000 0.810 389 A HN 0.204 nan 8.150 nan 0.000 0.448 390 L N -1.241 120.004 121.223 0.037 0.000 2.095 390 L HA -0.099 4.243 4.340 0.002 0.000 0.204 390 L C 2.639 179.521 176.870 0.020 0.000 1.080 390 L CA 1.033 55.887 54.840 0.023 0.000 0.759 390 L CB -0.303 41.760 42.059 0.007 0.000 0.914 390 L HN 0.226 nan 8.230 nan 0.000 0.439 391 K N 0.195 120.607 120.400 0.019 0.000 2.026 391 K HA -0.105 4.216 4.320 0.002 0.000 0.208 391 K C 2.000 178.610 176.600 0.016 0.000 1.048 391 K CA 1.537 57.834 56.287 0.017 0.000 0.929 391 K CB -0.670 31.839 32.500 0.016 0.000 0.713 391 K HN 0.359 nan 8.250 nan 0.000 0.439 392 G N 1.107 109.919 108.800 0.019 0.000 2.432 392 G HA2 -0.219 3.742 3.960 0.002 0.000 0.219 392 G HA3 -0.219 3.742 3.960 0.002 0.000 0.219 392 G C 1.519 176.431 174.900 0.019 0.000 1.135 392 G CA 0.388 45.499 45.100 0.018 0.000 0.767 392 G HN 0.216 nan 8.290 nan 0.000 0.550 393 L N -0.174 121.063 121.223 0.023 0.000 2.217 393 L HA 0.202 4.543 4.340 0.002 0.000 0.211 393 L C 2.238 179.119 176.870 0.018 0.000 1.107 393 L CA 0.822 55.678 54.840 0.025 0.000 0.783 393 L CB -0.131 41.949 42.059 0.034 0.000 0.919 393 L HN 0.072 nan 8.230 nan 0.000 0.442 394 L N -0.727 120.505 121.223 0.015 0.000 2.395 394 L HA 0.218 4.559 4.340 0.002 0.000 0.218 394 L C 1.495 178.371 176.870 0.010 0.000 1.130 394 L CA 0.713 55.559 54.840 0.011 0.000 0.826 394 L CB -1.579 40.485 42.059 0.010 0.000 0.941 394 L HN 0.235 nan 8.230 nan 0.000 0.451 395 A N 0.000 122.826 122.820 0.011 0.000 2.254 395 A HA 0.000 4.321 4.320 0.002 0.000 0.244 395 A CA 0.000 52.042 52.037 0.009 0.000 0.836 395 A CB 0.000 19.006 19.000 0.010 0.000 0.831 395 A HN 0.000 nan 8.150 nan 0.000 0.486