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 1w5b_1_B DATA FIRST_RESID 22 DATA SEQUENCE LSPEDKELLE YLQQTKAKIT VVGCGGAGNN TITRLKMEGI EGAKTVAINT DATA SEQUENCE DAQQLIRTKA DKKILIGKKL TRGLGAGGNP KIGEEAAKES AEEIKAAIQD DATA SEQUENCE SDMVFITCGL GGGTGTGSAP VVAEISKKIG ALTVAVVTLP FVMEGKVRMK DATA SEQUENCE NAMEGLERLK QHTDTLVVIP NEKLFEIVPN MPLKLAFKVA DEVLINAVKG DATA SEQUENCE LVELITKDGL INVDFADVKA VMNNGGLAMI GIGESDSEKR AKEAVSMALN DATA SEQUENCE SPLLDVDIDG ATGALIHVMG PEDLTLEEAR EVVATVSSRL DPNATIIWGA DATA SEQUENCE TIDENLENTV RVLLVITGVQ SRIEFTDTGL KRKKLE 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.872 176.870 0.003 0.000 1.165 22 L CA 0.000 54.842 54.840 0.004 0.000 0.813 22 L CB 0.000 42.062 42.059 0.005 0.000 0.961 23 S N 1.469 117.171 115.700 0.003 0.000 2.579 23 S HA 0.307 4.777 4.470 -0.000 0.000 0.275 23 S C -1.530 173.071 174.600 0.002 0.000 1.345 23 S CA -0.773 57.428 58.200 0.002 0.000 1.031 23 S CB 0.942 64.143 63.200 0.001 0.000 0.892 23 S HN 0.590 nan 8.310 nan 0.000 0.529 24 P HA -0.208 nan 4.420 nan 0.000 0.216 24 P C 1.294 178.595 177.300 0.001 0.000 1.150 24 P CA 1.550 64.651 63.100 0.002 0.000 0.843 24 P CB 0.065 31.765 31.700 0.000 0.000 0.787 25 E N -0.012 120.187 120.200 -0.002 0.000 2.085 25 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 25 E C 1.637 178.236 176.600 -0.001 0.000 0.994 25 E CA 1.428 57.825 56.400 -0.005 0.000 0.801 25 E CB -0.292 29.404 29.700 -0.007 0.000 0.743 25 E HN 0.104 nan 8.360 nan 0.000 0.453 26 D N 0.174 120.576 120.400 0.003 0.000 2.149 26 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 26 D C 1.779 178.087 176.300 0.014 0.000 0.972 26 D CA 0.848 54.853 54.000 0.008 0.000 0.835 26 D CB -0.043 40.761 40.800 0.007 0.000 0.966 26 D HN 0.201 nan 8.370 nan 0.000 0.476 27 K N 0.738 121.145 120.400 0.012 0.000 2.103 27 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 27 K C 2.025 178.640 176.600 0.025 0.000 1.048 27 K CA 0.840 57.136 56.287 0.016 0.000 0.930 27 K CB -0.023 32.484 32.500 0.011 0.000 0.716 27 K HN 0.205 nan 8.250 nan 0.000 0.444 28 E N 1.182 121.396 120.200 0.022 0.000 2.106 28 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 28 E C 1.998 178.633 176.600 0.057 0.000 0.984 28 E CA 0.646 57.064 56.400 0.030 0.000 0.806 28 E CB 0.076 29.780 29.700 0.007 0.000 0.750 28 E HN 0.230 nan 8.360 nan 0.000 0.458 29 L N 0.572 121.822 121.223 0.044 0.000 2.056 29 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 29 L C 2.568 179.500 176.870 0.104 0.000 1.078 29 L CA 0.679 55.563 54.840 0.073 0.000 0.749 29 L CB -0.318 41.764 42.059 0.039 0.000 0.901 29 L HN 0.266 nan 8.230 nan 0.000 0.433 30 L N -0.259 121.001 121.223 0.061 0.000 1.989 30 L HA -0.268 4.072 4.340 -0.000 0.000 0.211 30 L C 2.663 179.562 176.870 0.048 0.000 1.071 30 L CA 1.626 56.492 54.840 0.044 0.000 0.749 30 L CB -0.463 41.610 42.059 0.024 0.000 0.890 30 L HN 0.366 nan 8.230 nan 0.000 0.431 31 E N -0.659 119.574 120.200 0.056 0.000 2.085 31 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 31 E C 2.189 178.828 176.600 0.065 0.000 0.994 31 E CA 1.564 57.993 56.400 0.049 0.000 0.801 31 E CB -0.198 29.533 29.700 0.052 0.000 0.743 31 E HN 0.412 nan 8.360 nan 0.000 0.453 32 Y N 1.160 121.453 120.300 -0.010 0.000 2.114 32 Y HA -0.225 4.325 4.550 0.000 0.000 0.284 32 Y C 2.056 177.948 175.900 -0.014 0.000 1.143 32 Y CA 1.791 59.885 58.100 -0.011 0.000 1.135 32 Y CB -0.419 38.036 38.460 -0.008 0.000 0.980 32 Y HN 0.028 nan 8.280 nan 0.000 0.499 33 L N 0.084 121.320 121.223 0.022 0.000 2.013 33 L HA -0.346 3.994 4.340 -0.000 0.000 0.212 33 L C 2.706 179.502 176.870 -0.124 0.000 1.073 33 L CA 2.154 56.959 54.840 -0.058 0.000 0.753 33 L CB -0.763 41.304 42.059 0.014 0.000 0.890 33 L HN 0.342 nan 8.230 nan 0.000 0.432 34 Q N -0.207 119.543 119.800 -0.083 0.000 2.050 34 Q HA -0.297 4.043 4.340 -0.000 0.000 0.202 34 Q C 2.275 178.202 176.000 -0.123 0.000 0.980 34 Q CA 1.943 57.696 55.803 -0.083 0.000 0.840 34 Q CB -0.114 28.595 28.738 -0.048 0.000 0.898 34 Q HN 0.483 nan 8.270 nan 0.000 0.424 35 Q N -0.427 119.281 119.800 -0.153 0.000 2.224 35 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 35 Q C 0.488 176.334 176.000 -0.257 0.000 0.970 35 Q CA 1.463 57.160 55.803 -0.177 0.000 0.865 35 Q CB 0.139 28.779 28.738 -0.162 0.000 0.922 35 Q HN 0.267 nan 8.270 nan 0.000 0.445 36 T N 2.281 116.613 114.554 -0.369 0.000 3.565 36 T HA 0.069 4.419 4.350 -0.000 0.000 0.248 36 T C -0.310 174.254 174.700 -0.226 0.000 1.033 36 T CA -0.159 61.722 62.100 -0.366 0.000 0.952 36 T CB -0.094 68.495 68.868 -0.465 0.000 1.072 36 T HN 0.111 nan 8.240 nan 0.000 0.609 37 K N 2.701 122.990 120.400 -0.185 0.000 2.434 37 K HA -0.019 4.301 4.320 -0.000 0.000 0.266 37 K C 0.349 176.834 176.600 -0.192 0.000 1.096 37 K CA 0.089 56.282 56.287 -0.157 0.000 1.182 37 K CB -0.074 32.353 32.500 -0.122 0.000 0.813 37 K HN 0.386 nan 8.250 nan 0.000 0.490 38 A N 5.562 128.246 122.820 -0.228 0.000 2.343 38 A HA 0.104 4.424 4.320 -0.000 0.000 0.305 38 A C 0.112 177.539 177.584 -0.261 0.000 1.308 38 A CA -0.530 51.288 52.037 -0.364 0.000 0.949 38 A CB 0.162 18.903 19.000 -0.432 0.000 1.148 38 A HN 0.348 nan 8.150 nan 0.000 0.545 39 K N 3.663 123.927 120.400 -0.226 0.000 2.278 39 K HA 0.237 4.557 4.320 -0.000 0.000 0.289 39 K C -0.462 176.091 176.600 -0.078 0.000 1.080 39 K CA 0.101 56.314 56.287 -0.123 0.000 0.934 39 K CB 0.261 32.709 32.500 -0.087 0.000 1.093 39 K HN 0.495 nan 8.250 nan 0.000 0.459 40 I N 2.487 123.036 120.570 -0.035 0.000 2.378 40 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 40 I C 0.206 176.365 176.117 0.071 0.000 0.992 40 I CA -0.498 60.836 61.300 0.057 0.000 1.154 40 I CB 1.587 39.640 38.000 0.088 0.000 1.315 40 I HN 0.258 nan 8.210 nan 0.000 0.448 41 T N 5.488 120.112 114.554 0.116 0.000 2.848 41 T HA 0.545 4.895 4.350 -0.000 0.000 0.285 41 T C -0.247 174.548 174.700 0.157 0.000 0.995 41 T CA -0.448 61.709 62.100 0.095 0.000 0.970 41 T CB 2.322 71.224 68.868 0.058 0.000 0.976 41 T HN 0.210 nan 8.240 nan 0.000 0.441 42 V N 3.879 123.861 119.914 0.114 0.000 2.370 42 V HA 0.494 4.614 4.120 -0.000 0.000 0.283 42 V C -0.193 175.953 176.094 0.087 0.000 1.023 42 V CA -0.701 61.677 62.300 0.130 0.000 0.857 42 V CB 1.551 33.404 31.823 0.049 0.000 0.985 42 V HN 0.698 nan 8.190 nan 0.000 0.443 43 V N 3.866 123.839 119.914 0.098 0.000 2.417 43 V HA 0.759 4.879 4.120 -0.000 0.000 0.291 43 V C 0.633 176.761 176.094 0.057 0.000 1.024 43 V CA -0.336 62.001 62.300 0.062 0.000 0.861 43 V CB 1.765 33.619 31.823 0.052 0.000 0.985 43 V HN 0.950 nan 8.190 nan 0.000 0.436 44 G N 3.088 111.911 108.800 0.039 0.000 2.422 44 G HA2 0.542 4.502 3.960 -0.000 0.000 0.317 44 G HA3 0.542 4.502 3.960 -0.000 0.000 0.317 44 G C -0.624 174.291 174.900 0.024 0.000 1.210 44 G CA -0.339 44.781 45.100 0.033 0.000 0.930 44 G HN 0.792 nan 8.290 nan 0.000 0.468 45 C N 1.505 120.820 119.300 0.024 0.000 2.382 45 C HA 0.991 5.451 4.460 -0.000 0.000 0.327 45 C C 1.009 176.007 174.990 0.013 0.000 1.250 45 C CA 0.239 59.268 59.018 0.018 0.000 1.707 45 C CB 0.340 28.092 27.740 0.019 0.000 2.272 45 C HN 1.619 nan 8.230 nan 0.000 0.506 46 G N 2.182 110.987 108.800 0.008 0.000 2.782 46 G HA2 0.212 4.172 3.960 -0.000 0.000 0.228 46 G HA3 0.212 4.172 3.960 -0.000 0.000 0.228 46 G C 0.706 175.605 174.900 -0.002 0.000 1.372 46 G CA -0.012 45.090 45.100 0.003 0.000 0.862 46 G HN 1.395 nan 8.290 nan 0.000 0.547 47 G N -0.385 108.409 108.800 -0.011 0.000 2.480 47 G HA2 0.209 4.169 3.960 -0.000 0.000 0.216 47 G HA3 0.209 4.169 3.960 -0.000 0.000 0.216 47 G C 2.205 177.095 174.900 -0.017 0.000 1.200 47 G CA 3.247 48.335 45.100 -0.020 0.000 0.782 47 G HN 2.053 nan 8.290 nan 0.000 0.554 48 A N 0.749 123.559 122.820 -0.016 0.000 1.902 48 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 48 A C 2.719 180.310 177.584 0.011 0.000 1.181 48 A CA 2.091 54.127 52.037 -0.001 0.000 0.623 48 A CB -1.084 17.923 19.000 0.012 0.000 0.818 48 A HN 0.584 nan 8.150 nan 0.000 0.443 49 G N 0.022 108.829 108.800 0.013 0.000 2.418 49 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 49 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 49 G C 1.401 176.310 174.900 0.014 0.000 1.158 49 G CA 1.170 46.281 45.100 0.018 0.000 0.771 49 G HN 0.529 nan 8.290 nan 0.000 0.545 50 N N 0.806 119.510 118.700 0.008 0.000 2.142 50 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 50 N C 2.005 177.518 175.510 0.004 0.000 1.023 50 N CA 1.218 54.272 53.050 0.005 0.000 0.852 50 N CB -0.538 37.949 38.487 0.000 0.000 0.998 50 N HN 0.358 nan 8.380 nan 0.000 0.424 51 N N 0.145 118.847 118.700 0.004 0.000 2.166 51 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 51 N C 1.316 176.832 175.510 0.010 0.000 1.019 51 N CA 1.480 54.533 53.050 0.006 0.000 0.856 51 N CB -0.242 38.249 38.487 0.007 0.000 0.993 51 N HN 0.107 nan 8.380 nan 0.000 0.426 52 T N 1.013 115.574 114.554 0.012 0.000 2.701 52 T HA -0.029 4.321 4.350 -0.000 0.000 0.263 52 T C 1.799 176.502 174.700 0.005 0.000 1.040 52 T CA 0.839 62.945 62.100 0.011 0.000 1.147 52 T CB -0.137 68.741 68.868 0.015 0.000 0.865 52 T HN 0.153 nan 8.240 nan 0.000 0.426 53 I N 1.900 122.474 120.570 0.007 0.000 2.151 53 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 53 I C 2.653 178.770 176.117 0.000 0.000 1.080 53 I CA 1.640 62.942 61.300 0.004 0.000 1.339 53 I CB -1.747 36.258 38.000 0.008 0.000 1.039 53 I HN 0.289 nan 8.210 nan 0.000 0.409 54 T N 0.756 115.310 114.554 0.001 0.000 2.699 54 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 54 T C 2.090 176.789 174.700 -0.002 0.000 1.036 54 T CA 1.256 63.356 62.100 0.000 0.000 1.147 54 T CB -0.200 68.669 68.868 0.001 0.000 0.862 54 T HN 0.253 nan 8.240 nan 0.000 0.446 55 R N 0.481 120.980 120.500 -0.001 0.000 2.075 55 R HA 0.064 4.404 4.340 -0.000 0.000 0.232 55 R C 2.524 178.819 176.300 -0.008 0.000 1.126 55 R CA 0.926 57.024 56.100 -0.003 0.000 0.963 55 R CB -0.708 29.591 30.300 -0.001 0.000 0.858 55 R HN 0.429 nan 8.270 nan 0.000 0.435 56 L N 0.523 121.739 121.223 -0.011 0.000 2.083 56 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 56 L C 2.511 179.372 176.870 -0.016 0.000 1.083 56 L CA 1.191 56.019 54.840 -0.019 0.000 0.752 56 L CB -0.429 41.615 42.059 -0.026 0.000 0.899 56 L HN 0.041 nan 8.230 nan 0.000 0.433 57 K N 0.717 121.110 120.400 -0.011 0.000 2.001 57 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 57 K C 2.088 178.683 176.600 -0.008 0.000 1.048 57 K CA 1.644 57.926 56.287 -0.009 0.000 0.932 57 K CB -0.224 32.272 32.500 -0.006 0.000 0.715 57 K HN 0.068 nan 8.250 nan 0.000 0.437 58 M N 0.289 119.885 119.600 -0.007 0.000 2.080 58 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 58 M C 1.682 177.977 176.300 -0.007 0.000 1.068 58 M CA 1.834 57.130 55.300 -0.006 0.000 1.109 58 M CB -0.286 32.312 32.600 -0.004 0.000 1.342 58 M HN 0.163 nan 8.290 nan 0.000 0.405 59 E N 0.219 120.414 120.200 -0.008 0.000 2.511 59 E HA 0.117 4.467 4.350 -0.000 0.000 0.196 59 E C 0.304 176.897 176.600 -0.011 0.000 1.066 59 E CA -0.048 56.346 56.400 -0.009 0.000 0.871 59 E CB -0.150 29.544 29.700 -0.010 0.000 0.863 59 E HN 0.601 nan 8.360 nan 0.000 0.520 60 G N 2.510 111.303 108.800 -0.012 0.000 2.905 60 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.209 60 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.209 60 G C -0.326 174.563 174.900 -0.017 0.000 0.658 60 G CA -0.011 45.081 45.100 -0.014 0.000 0.826 60 G HN 0.343 nan 8.290 nan 0.000 0.359 61 I N 1.613 122.170 120.570 -0.023 0.000 2.331 61 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 61 I C 0.672 176.771 176.117 -0.030 0.000 0.998 61 I CA -0.900 60.382 61.300 -0.031 0.000 1.267 61 I CB 0.842 38.814 38.000 -0.045 0.000 1.386 61 I HN 0.629 nan 8.210 nan 0.000 0.476 62 E N 5.290 125.474 120.200 -0.027 0.000 2.384 62 E HA 0.210 4.560 4.350 -0.000 0.000 0.266 62 E C 0.946 177.526 176.600 -0.034 0.000 1.012 62 E CA 0.864 57.249 56.400 -0.026 0.000 0.901 62 E CB 0.591 30.280 29.700 -0.017 0.000 0.967 62 E HN 0.940 nan 8.360 nan 0.000 0.435 63 G N 2.630 111.410 108.800 -0.033 0.000 2.321 63 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.287 63 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.287 63 G C -0.114 174.764 174.900 -0.037 0.000 1.018 63 G CA 0.497 45.573 45.100 -0.039 0.000 0.855 63 G HN 0.685 nan 8.290 nan 0.000 0.507 64 A N -0.868 121.934 122.820 -0.030 0.000 2.486 64 A HA 0.803 5.123 4.320 -0.000 0.000 0.300 64 A C -0.109 177.468 177.584 -0.012 0.000 1.048 64 A CA -0.133 51.893 52.037 -0.019 0.000 0.696 64 A CB 1.375 20.356 19.000 -0.031 0.000 1.278 64 A HN 0.581 nan 8.150 nan 0.000 0.405 65 K N 0.992 121.393 120.400 0.001 0.000 2.144 65 K HA 0.586 4.906 4.320 -0.000 0.000 0.270 65 K C -0.414 176.192 176.600 0.010 0.000 1.005 65 K CA 0.011 56.299 56.287 0.002 0.000 0.932 65 K CB 0.772 33.274 32.500 0.004 0.000 1.021 65 K HN 0.791 nan 8.250 nan 0.000 0.462 66 T N -0.255 114.303 114.554 0.006 0.000 2.807 66 T HA 0.498 4.848 4.350 -0.000 0.000 0.279 66 T C -0.624 174.083 174.700 0.012 0.000 0.993 66 T CA -0.885 61.221 62.100 0.010 0.000 0.970 66 T CB 1.443 70.312 68.868 0.002 0.000 0.950 66 T HN 0.198 nan 8.240 nan 0.000 0.441 67 V N 1.995 121.920 119.914 0.018 0.000 2.531 67 V HA 0.778 4.898 4.120 -0.000 0.000 0.301 67 V C 0.057 176.160 176.094 0.016 0.000 1.034 67 V CA -1.050 61.260 62.300 0.016 0.000 0.865 67 V CB 1.466 33.300 31.823 0.018 0.000 0.995 67 V HN 1.278 nan 8.190 nan 0.000 0.424 68 A N 6.378 129.205 122.820 0.011 0.000 2.288 68 A HA 0.907 5.227 4.320 -0.000 0.000 0.320 68 A C -0.736 176.853 177.584 0.008 0.000 1.217 68 A CA -0.427 51.616 52.037 0.009 0.000 0.840 68 A CB 0.564 19.567 19.000 0.006 0.000 1.179 68 A HN 0.775 nan 8.150 nan 0.000 0.504 69 I N 2.027 122.602 120.570 0.009 0.000 2.569 69 I HA 0.496 4.666 4.170 -0.000 0.000 0.296 69 I C -0.168 175.952 176.117 0.005 0.000 1.028 69 I CA -0.455 60.849 61.300 0.006 0.000 1.082 69 I CB 2.365 40.370 38.000 0.008 0.000 1.264 69 I HN 0.918 nan 8.210 nan 0.000 0.429 70 N N 1.150 119.852 118.700 0.002 0.000 3.265 70 N HA 0.143 4.883 4.740 -0.000 0.000 0.235 70 N C 0.089 175.598 175.510 -0.000 0.000 1.343 70 N CA -0.216 52.835 53.050 0.001 0.000 0.904 70 N CB 1.642 40.129 38.487 -0.001 0.000 1.492 70 N HN 0.635 nan 8.380 nan 0.000 0.504 71 T N -2.629 111.925 114.554 -0.001 0.000 3.051 71 T HA 0.052 4.402 4.350 -0.000 0.000 0.255 71 T C 0.301 174.999 174.700 -0.002 0.000 1.085 71 T CA 0.427 62.526 62.100 -0.001 0.000 1.109 71 T CB -0.015 68.852 68.868 -0.000 0.000 0.921 71 T HN 0.380 nan 8.240 nan 0.000 0.488 72 D N 1.495 121.893 120.400 -0.003 0.000 2.365 72 D HA 0.490 5.130 4.640 -0.000 0.000 0.237 72 D C 1.295 177.592 176.300 -0.004 0.000 1.190 72 D CA -0.069 53.928 54.000 -0.005 0.000 0.867 72 D CB 1.404 42.200 40.800 -0.007 0.000 1.050 72 D HN 0.218 nan 8.370 nan 0.000 0.491 73 A N 4.095 126.913 122.820 -0.004 0.000 1.940 73 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 73 A C 1.942 179.524 177.584 -0.004 0.000 1.176 73 A CA 1.564 53.599 52.037 -0.003 0.000 0.631 73 A CB -0.330 18.668 19.000 -0.003 0.000 0.814 73 A HN 0.592 nan 8.150 nan 0.000 0.446 74 Q N -0.081 119.716 119.800 -0.005 0.000 2.084 74 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 74 Q C 2.096 178.092 176.000 -0.006 0.000 0.978 74 Q CA 2.305 58.105 55.803 -0.005 0.000 0.844 74 Q CB -0.349 28.385 28.738 -0.006 0.000 0.898 74 Q HN 0.784 nan 8.270 nan 0.000 0.426 75 Q N -0.837 118.959 119.800 -0.007 0.000 2.137 75 Q HA -0.075 4.265 4.340 -0.000 0.000 0.198 75 Q C 1.972 177.969 176.000 -0.006 0.000 0.960 75 Q CA 0.947 56.745 55.803 -0.008 0.000 0.847 75 Q CB -0.089 28.642 28.738 -0.011 0.000 0.915 75 Q HN 0.301 nan 8.270 nan 0.000 0.448 76 L N 1.050 122.270 121.223 -0.004 0.000 2.017 76 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 76 L C 2.097 178.966 176.870 -0.002 0.000 1.073 76 L CA 1.406 56.245 54.840 -0.003 0.000 0.745 76 L CB -0.420 41.638 42.059 -0.002 0.000 0.894 76 L HN 0.223 nan 8.230 nan 0.000 0.432 77 I N -0.118 120.450 120.570 -0.003 0.000 2.264 77 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 77 I C 1.966 178.081 176.117 -0.002 0.000 1.111 77 I CA 1.310 62.609 61.300 -0.002 0.000 1.382 77 I CB -0.125 37.873 38.000 -0.003 0.000 1.060 77 I HN 0.375 nan 8.210 nan 0.000 0.418 78 R N -0.387 120.111 120.500 -0.003 0.000 2.356 78 R HA 0.187 4.527 4.340 -0.000 0.000 0.234 78 R C 0.114 176.413 176.300 -0.002 0.000 0.929 78 R CA 0.008 56.106 56.100 -0.003 0.000 1.084 78 R CB -0.703 29.595 30.300 -0.003 0.000 1.105 78 R HN 0.147 nan 8.270 nan 0.000 0.515 79 T N 1.466 116.018 114.554 -0.002 0.000 2.909 79 T HA 0.296 4.646 4.350 -0.000 0.000 0.286 79 T C -0.406 174.293 174.700 -0.001 0.000 1.002 79 T CA -0.360 61.739 62.100 -0.001 0.000 1.074 79 T CB 1.572 70.440 68.868 -0.000 0.000 0.984 79 T HN -0.075 nan 8.240 nan 0.000 0.495 80 K N 1.799 122.198 120.400 -0.001 0.000 2.265 80 K HA 0.798 5.118 4.320 -0.000 0.000 0.267 80 K C -0.668 175.932 176.600 -0.001 0.000 0.994 80 K CA -0.359 55.927 56.287 -0.001 0.000 0.860 80 K CB 1.624 34.123 32.500 -0.002 0.000 1.099 80 K HN 0.755 nan 8.250 nan 0.000 0.448 81 A N 1.880 124.699 122.820 -0.001 0.000 2.608 81 A HA 0.337 4.657 4.320 -0.000 0.000 0.292 81 A C -0.418 177.165 177.584 -0.001 0.000 1.066 81 A CA -0.696 51.341 52.037 -0.000 0.000 0.676 81 A CB 0.785 19.786 19.000 0.002 0.000 1.277 81 A HN 0.586 nan 8.150 nan 0.000 0.413 82 D N -0.098 120.301 120.400 -0.001 0.000 2.178 82 D HA 0.003 4.643 4.640 -0.000 0.000 0.202 82 D C 0.323 176.623 176.300 -0.001 0.000 0.974 82 D CA 1.750 55.749 54.000 -0.002 0.000 0.841 82 D CB 0.249 41.047 40.800 -0.003 0.000 0.953 82 D HN 0.384 nan 8.370 nan 0.000 0.478 83 K N 0.208 120.608 120.400 0.001 0.000 2.525 83 K HA 0.324 4.644 4.320 -0.000 0.000 0.254 83 K C -1.586 175.015 176.600 0.002 0.000 0.934 83 K CA -0.573 55.714 56.287 0.001 0.000 0.802 83 K CB 1.957 34.458 32.500 0.002 0.000 1.295 83 K HN -0.315 nan 8.250 nan 0.000 0.433 84 K N 3.949 124.350 120.400 0.001 0.000 2.324 84 K HA 0.587 4.907 4.320 -0.000 0.000 0.253 84 K C -0.740 175.860 176.600 0.001 0.000 0.932 84 K CA -0.724 55.564 56.287 0.001 0.000 0.799 84 K CB 1.779 34.279 32.500 0.000 0.000 1.154 84 K HN 0.479 nan 8.250 nan 0.000 0.425 85 I N 3.521 124.091 120.570 0.001 0.000 2.468 85 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 85 I C -1.161 174.956 176.117 0.000 0.000 1.039 85 I CA -1.024 60.276 61.300 0.000 0.000 1.074 85 I CB 1.668 39.668 38.000 0.000 0.000 1.228 85 I HN 0.330 nan 8.210 nan 0.000 0.436 86 L N 8.628 129.850 121.223 -0.001 0.000 2.255 86 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 86 L C -0.136 176.733 176.870 -0.001 0.000 1.046 86 L CA -0.085 54.754 54.840 -0.001 0.000 0.816 86 L CB 0.487 42.545 42.059 -0.001 0.000 1.197 86 L HN 0.500 nan 8.230 nan 0.000 0.427 87 I N 1.742 122.312 120.570 -0.001 0.000 2.793 87 I HA 0.783 4.953 4.170 -0.000 0.000 0.313 87 I C 1.103 177.219 176.117 -0.001 0.000 0.998 87 I CA -0.412 60.887 61.300 -0.002 0.000 1.140 87 I CB 1.422 39.421 38.000 -0.002 0.000 1.327 87 I HN 0.767 nan 8.210 nan 0.000 0.491 88 G N 2.765 111.564 108.800 -0.002 0.000 2.198 88 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 88 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 88 G C 0.654 175.554 174.900 -0.001 0.000 1.025 88 G CA 0.714 45.814 45.100 -0.001 0.000 0.769 88 G HN 0.902 nan 8.290 nan 0.000 0.507 89 K N -0.037 120.362 120.400 -0.001 0.000 2.044 89 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 89 K C 2.494 179.093 176.600 -0.001 0.000 1.049 89 K CA 1.901 58.187 56.287 -0.001 0.000 0.927 89 K CB -0.215 32.284 32.500 -0.002 0.000 0.713 89 K HN 0.507 nan 8.250 nan 0.000 0.443 90 K N 0.377 120.777 120.400 -0.001 0.000 2.103 90 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 90 K C 2.044 178.644 176.600 -0.000 0.000 1.052 90 K CA 0.798 57.085 56.287 -0.001 0.000 0.945 90 K CB -0.066 32.434 32.500 -0.001 0.000 0.722 90 K HN -0.012 nan 8.250 nan 0.000 0.443 91 L N 0.343 121.566 121.223 -0.000 0.000 2.209 91 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 91 L C 1.351 178.222 176.870 0.001 0.000 1.094 91 L CA 1.590 56.430 54.840 0.000 0.000 0.790 91 L CB 0.288 42.347 42.059 0.001 0.000 0.932 91 L HN 0.058 nan 8.230 nan 0.000 0.447 92 T N -2.216 112.338 114.554 0.000 0.000 3.004 92 T HA 0.195 4.545 4.350 -0.000 0.000 0.266 92 T C 0.460 175.160 174.700 -0.000 0.000 0.986 92 T CA -0.455 61.645 62.100 0.000 0.000 0.902 92 T CB 0.393 69.261 68.868 0.000 0.000 1.118 92 T HN 0.106 nan 8.240 nan 0.000 0.522 93 R N 1.039 121.539 120.500 -0.001 0.000 3.322 93 R HA -0.213 4.127 4.340 -0.000 0.000 0.253 93 R C 1.228 177.527 176.300 -0.001 0.000 0.987 93 R CA 0.401 56.501 56.100 -0.001 0.000 0.666 93 R CB -2.053 28.246 30.300 -0.001 0.000 1.072 93 R HN 0.671 nan 8.270 nan 0.000 0.447 94 G N -1.748 107.051 108.800 -0.001 0.000 2.205 94 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.261 94 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.261 94 G C 0.144 175.042 174.900 -0.002 0.000 0.980 94 G CA 0.303 45.402 45.100 -0.002 0.000 0.632 94 G HN 0.178 nan 8.290 nan 0.000 0.533 95 L N 0.852 122.073 121.223 -0.002 0.000 2.488 95 L HA 0.775 5.115 4.340 -0.000 0.000 0.249 95 L C 1.659 178.527 176.870 -0.003 0.000 1.151 95 L CA 0.347 55.186 54.840 -0.003 0.000 0.806 95 L CB 0.100 42.158 42.059 -0.002 0.000 1.261 95 L HN 0.273 nan 8.230 nan 0.000 0.484 96 G N -0.918 107.880 108.800 -0.003 0.000 2.588 96 G HA2 0.432 4.392 3.960 -0.000 0.000 0.281 96 G HA3 0.432 4.392 3.960 -0.000 0.000 0.281 96 G C 0.219 175.118 174.900 -0.001 0.000 1.236 96 G CA 0.103 45.200 45.100 -0.003 0.000 0.969 96 G HN 0.820 nan 8.290 nan 0.000 0.504 97 A N -1.207 121.613 122.820 0.000 0.000 2.251 97 A HA 0.449 4.769 4.320 -0.000 0.000 0.209 97 A C 1.948 179.535 177.584 0.004 0.000 1.187 97 A CA 1.177 53.216 52.037 0.003 0.000 0.823 97 A CB -0.726 18.277 19.000 0.005 0.000 0.846 97 A HN 2.331 nan 8.150 nan 0.000 0.486 98 G N -1.491 107.311 108.800 0.003 0.000 2.258 98 G HA2 0.071 4.031 3.960 -0.000 0.000 0.274 98 G HA3 0.071 4.031 3.960 -0.000 0.000 0.274 98 G C 1.463 176.368 174.900 0.008 0.000 1.021 98 G CA 0.929 46.031 45.100 0.004 0.000 0.798 98 G HN 2.089 nan 8.290 nan 0.000 0.507 99 G N -1.291 107.514 108.800 0.009 0.000 2.159 99 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.256 99 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.256 99 G C 0.160 175.069 174.900 0.015 0.000 0.977 99 G CA 0.739 45.847 45.100 0.014 0.000 0.652 99 G HN 1.476 nan 8.290 nan 0.000 0.531 100 N N 0.838 119.546 118.700 0.013 0.000 2.485 100 N HA 0.475 5.215 4.740 -0.000 0.000 0.243 100 N C -1.002 174.516 175.510 0.014 0.000 0.987 100 N CA -2.212 50.846 53.050 0.013 0.000 0.940 100 N CB 1.697 40.191 38.487 0.011 0.000 1.122 100 N HN -0.012 nan 8.380 nan 0.000 0.509 101 P HA -0.115 nan 4.420 nan 0.000 0.218 101 P C 0.755 178.064 177.300 0.015 0.000 1.148 101 P CA 1.409 64.520 63.100 0.017 0.000 0.822 101 P CB 0.437 32.149 31.700 0.021 0.000 0.784 102 K N -0.907 119.501 120.400 0.013 0.000 2.097 102 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 102 K C 1.907 178.512 176.600 0.009 0.000 1.049 102 K CA 1.092 57.386 56.287 0.011 0.000 0.933 102 K CB -0.525 31.982 32.500 0.010 0.000 0.717 102 K HN 0.100 nan 8.250 nan 0.000 0.442 103 I N 0.870 121.445 120.570 0.008 0.000 2.179 103 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 103 I C 2.503 178.623 176.117 0.006 0.000 1.088 103 I CA 1.608 62.911 61.300 0.006 0.000 1.357 103 I CB -1.732 36.272 38.000 0.006 0.000 1.051 103 I HN 0.250 nan 8.210 nan 0.000 0.409 104 G N 0.234 109.039 108.800 0.007 0.000 2.418 104 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 104 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 104 G C 1.635 176.539 174.900 0.006 0.000 1.158 104 G CA 0.806 45.910 45.100 0.007 0.000 0.771 104 G HN 0.481 nan 8.290 nan 0.000 0.545 105 E N 0.222 120.427 120.200 0.008 0.000 2.031 105 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 105 E C 2.369 178.970 176.600 0.001 0.000 0.994 105 E CA 1.053 57.456 56.400 0.006 0.000 0.800 105 E CB -0.096 29.610 29.700 0.010 0.000 0.752 105 E HN 0.441 nan 8.360 nan 0.000 0.447 106 E N 0.327 120.528 120.200 0.002 0.000 2.038 106 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 106 E C 2.101 178.699 176.600 -0.002 0.000 1.000 106 E CA 1.042 57.442 56.400 -0.000 0.000 0.803 106 E CB -0.316 29.385 29.700 0.001 0.000 0.750 106 E HN 0.355 nan 8.360 nan 0.000 0.448 107 A N 1.863 124.682 122.820 -0.001 0.000 1.873 107 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 107 A C 2.495 180.076 177.584 -0.004 0.000 1.193 107 A CA 2.547 54.583 52.037 -0.001 0.000 0.629 107 A CB -0.842 18.158 19.000 -0.000 0.000 0.826 107 A HN 0.312 nan 8.150 nan 0.000 0.447 108 A N -0.408 122.410 122.820 -0.004 0.000 1.908 108 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 108 A C 2.113 179.689 177.584 -0.013 0.000 1.181 108 A CA 1.995 54.027 52.037 -0.008 0.000 0.627 108 A CB -0.500 18.495 19.000 -0.009 0.000 0.818 108 A HN 0.586 nan 8.150 nan 0.000 0.445 109 K N -0.640 119.752 120.400 -0.013 0.000 2.147 109 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 109 K C 2.089 178.681 176.600 -0.012 0.000 1.049 109 K CA 1.332 57.609 56.287 -0.016 0.000 0.936 109 K CB -0.124 32.367 32.500 -0.014 0.000 0.722 109 K HN 0.727 nan 8.250 nan 0.000 0.446 110 E N 0.658 120.853 120.200 -0.009 0.000 2.110 110 E HA -0.123 4.226 4.350 -0.000 0.000 0.193 110 E C 0.654 177.249 176.600 -0.007 0.000 0.988 110 E CA 1.069 57.465 56.400 -0.007 0.000 0.804 110 E CB 0.183 29.880 29.700 -0.005 0.000 0.745 110 E HN 0.061 nan 8.360 nan 0.000 0.458 111 S N -0.050 115.646 115.700 -0.008 0.000 2.583 111 S HA 0.299 4.769 4.470 -0.000 0.000 0.239 111 S C 1.102 175.696 174.600 -0.011 0.000 0.966 111 S CA 0.171 58.366 58.200 -0.008 0.000 0.973 111 S CB 0.930 64.126 63.200 -0.006 0.000 0.794 111 S HN 0.401 nan 8.310 nan 0.000 0.463 112 A N 2.136 124.948 122.820 -0.014 0.000 1.903 112 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 112 A C 2.074 179.648 177.584 -0.016 0.000 1.191 112 A CA 2.020 54.046 52.037 -0.019 0.000 0.638 112 A CB -0.588 18.398 19.000 -0.023 0.000 0.823 112 A HN 0.438 nan 8.150 nan 0.000 0.451 113 E N -0.331 119.861 120.200 -0.013 0.000 2.058 113 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 113 E C 1.998 178.593 176.600 -0.009 0.000 0.997 113 E CA 1.737 58.131 56.400 -0.011 0.000 0.801 113 E CB -0.272 29.423 29.700 -0.009 0.000 0.746 113 E HN 0.726 nan 8.360 nan 0.000 0.450 114 E N -0.429 119.766 120.200 -0.008 0.000 2.077 114 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 114 E C 2.124 178.721 176.600 -0.006 0.000 0.989 114 E CA 1.199 57.595 56.400 -0.006 0.000 0.800 114 E CB -0.125 29.573 29.700 -0.005 0.000 0.746 114 E HN 0.320 nan 8.360 nan 0.000 0.452 115 I N 0.968 121.534 120.570 -0.007 0.000 2.142 115 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 115 I C 2.688 178.800 176.117 -0.007 0.000 1.078 115 I CA 1.225 62.521 61.300 -0.007 0.000 1.343 115 I CB -0.326 37.668 38.000 -0.010 0.000 1.046 115 I HN 0.077 nan 8.210 nan 0.000 0.405 116 K N 1.474 121.867 120.400 -0.011 0.000 2.063 116 K HA -0.229 4.091 4.320 -0.000 0.000 0.208 116 K C 2.145 178.740 176.600 -0.008 0.000 1.048 116 K CA 1.735 58.015 56.287 -0.011 0.000 0.928 116 K CB -0.140 32.351 32.500 -0.014 0.000 0.713 116 K HN 0.317 nan 8.250 nan 0.000 0.442 117 A N 0.765 123.581 122.820 -0.007 0.000 1.969 117 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 117 A C 2.251 179.833 177.584 -0.004 0.000 1.169 117 A CA 1.597 53.631 52.037 -0.006 0.000 0.635 117 A CB -0.583 18.413 19.000 -0.005 0.000 0.810 117 A HN 0.497 nan 8.150 nan 0.000 0.445 118 A N 0.311 123.129 122.820 -0.003 0.000 1.969 118 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 118 A C 1.917 179.502 177.584 0.002 0.000 1.169 118 A CA 1.406 53.443 52.037 0.000 0.000 0.635 118 A CB -0.562 18.439 19.000 0.002 0.000 0.810 118 A HN 1.000 nan 8.150 nan 0.000 0.445 119 I N -3.774 116.797 120.570 0.002 0.000 4.082 119 I HA 0.250 4.420 4.170 -0.000 0.000 0.337 119 I C 0.549 176.666 176.117 0.000 0.000 1.352 119 I CA -0.429 60.874 61.300 0.005 0.000 1.097 119 I CB -0.189 37.816 38.000 0.008 0.000 1.048 119 I HN 0.091 nan 8.210 nan 0.000 0.393 120 Q N 3.562 123.360 119.800 -0.003 0.000 2.326 120 Q HA -0.114 4.226 4.340 -0.000 0.000 0.314 120 Q C 0.502 176.498 176.000 -0.006 0.000 1.091 120 Q CA 1.779 57.579 55.803 -0.005 0.000 0.974 120 Q CB 0.046 28.780 28.738 -0.006 0.000 1.220 120 Q HN 0.640 nan 8.270 nan 0.000 0.398 121 D N 0.623 121.019 120.400 -0.007 0.000 2.911 121 D HA -0.180 4.460 4.640 -0.000 0.000 0.227 121 D C -0.990 175.302 176.300 -0.014 0.000 1.164 121 D CA 0.832 54.826 54.000 -0.010 0.000 0.782 121 D CB -1.923 38.868 40.800 -0.015 0.000 1.094 121 D HN 0.325 nan 8.370 nan 0.000 0.425 122 S N 0.189 115.885 115.700 -0.007 0.000 2.525 122 S HA 0.173 4.643 4.470 -0.000 0.000 0.278 122 S C 1.058 175.658 174.600 0.000 0.000 1.234 122 S CA -0.667 57.530 58.200 -0.006 0.000 1.058 122 S CB 1.863 65.068 63.200 0.009 0.000 0.983 122 S HN 0.062 nan 8.310 nan 0.000 0.495 123 D N 1.591 121.980 120.400 -0.019 0.000 2.213 123 D HA 0.060 4.700 4.640 -0.000 0.000 0.205 123 D C 0.434 176.795 176.300 0.102 0.000 0.961 123 D CA 0.966 54.975 54.000 0.014 0.000 0.853 123 D CB 0.266 40.989 40.800 -0.128 0.000 0.967 123 D HN 0.399 nan 8.370 nan 0.000 0.496 124 M N 0.667 120.307 119.600 0.067 0.000 2.378 124 M HA 0.321 4.801 4.480 -0.000 0.000 0.289 124 M C -2.239 174.083 176.300 0.038 0.000 1.136 124 M CA -0.505 54.841 55.300 0.077 0.000 0.917 124 M CB 2.872 35.585 32.600 0.188 0.000 1.669 124 M HN -0.412 nan 8.290 nan 0.000 0.461 125 V N 4.824 124.704 119.914 -0.056 0.000 2.483 125 V HA 0.516 4.636 4.120 -0.000 0.000 0.297 125 V C -1.235 174.791 176.094 -0.113 0.000 1.027 125 V CA -0.445 61.852 62.300 -0.006 0.000 0.855 125 V CB 1.797 33.621 31.823 0.002 0.000 0.995 125 V HN 0.720 nan 8.190 nan 0.000 0.424 126 F N 5.086 125.056 119.950 0.032 0.000 2.408 126 F HA 0.613 5.139 4.527 -0.000 0.000 0.344 126 F C 0.282 176.097 175.800 0.025 0.000 1.112 126 F CA -0.495 57.524 58.000 0.032 0.000 1.096 126 F CB 1.334 40.353 39.000 0.032 0.000 1.129 126 F HN 0.244 nan 8.300 nan 0.000 0.486 127 I N 2.720 123.384 120.570 0.156 0.000 2.382 127 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 127 I C -0.168 176.014 176.117 0.110 0.000 1.002 127 I CA -0.319 61.043 61.300 0.104 0.000 1.135 127 I CB 1.883 39.917 38.000 0.057 0.000 1.288 127 I HN 0.493 nan 8.210 nan 0.000 0.448 128 T N 5.725 120.336 114.554 0.095 0.000 2.876 128 T HA 0.781 5.131 4.350 -0.000 0.000 0.289 128 T C -0.819 173.912 174.700 0.052 0.000 1.014 128 T CA -0.368 61.779 62.100 0.078 0.000 0.986 128 T CB 1.155 70.069 68.868 0.078 0.000 1.021 128 T HN 0.915 nan 8.240 nan 0.000 0.458 129 C N 1.466 120.792 119.300 0.044 0.000 3.231 129 C HA 0.877 5.337 4.460 -0.000 0.000 0.343 129 C C 0.081 175.089 174.990 0.031 0.000 1.349 129 C CA -0.572 58.467 59.018 0.034 0.000 1.209 129 C CB 0.550 28.309 27.740 0.032 0.000 1.475 129 C HN 1.167 nan 8.230 nan 0.000 0.460 130 G N 1.522 110.339 108.800 0.027 0.000 2.347 130 G HA2 0.574 4.534 3.960 -0.000 0.000 0.314 130 G HA3 0.574 4.534 3.960 -0.000 0.000 0.314 130 G C -0.549 174.368 174.900 0.029 0.000 1.126 130 G CA -0.524 44.593 45.100 0.029 0.000 0.929 130 G HN 0.912 nan 8.290 nan 0.000 0.441 131 L N 1.771 123.012 121.223 0.029 0.000 2.452 131 L HA 0.480 4.820 4.340 -0.000 0.000 0.267 131 L C 1.504 178.398 176.870 0.039 0.000 1.188 131 L CA 1.051 55.911 54.840 0.033 0.000 0.821 131 L CB 1.229 43.309 42.059 0.035 0.000 1.102 131 L HN 0.840 nan 8.230 nan 0.000 0.470 132 G N 1.225 110.049 108.800 0.040 0.000 2.617 132 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.197 132 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.197 132 G C 0.349 175.273 174.900 0.039 0.000 1.017 132 G CA -0.262 44.867 45.100 0.047 0.000 0.713 132 G HN 0.971 nan 8.290 nan 0.000 0.481 133 G N -0.385 108.433 108.800 0.029 0.000 2.531 133 G HA2 0.567 4.527 3.960 -0.000 0.000 0.281 133 G HA3 0.567 4.527 3.960 -0.000 0.000 0.281 133 G C 1.180 176.091 174.900 0.019 0.000 1.382 133 G CA 0.359 45.471 45.100 0.020 0.000 1.045 133 G HN 1.114 nan 8.290 nan 0.000 0.533 134 G N -1.742 107.066 108.800 0.014 0.000 2.510 134 G HA2 0.059 4.019 3.960 -0.000 0.000 0.212 134 G HA3 0.059 4.019 3.960 -0.000 0.000 0.212 134 G C 1.589 176.496 174.900 0.012 0.000 1.151 134 G CA 1.487 46.595 45.100 0.013 0.000 0.817 134 G HN 0.554 nan 8.290 nan 0.000 0.534 135 T N 0.927 115.486 114.554 0.009 0.000 2.732 135 T HA 0.037 4.387 4.350 -0.000 0.000 0.261 135 T C 2.495 177.202 174.700 0.012 0.000 1.040 135 T CA 1.368 63.473 62.100 0.008 0.000 1.145 135 T CB -0.523 68.347 68.868 0.004 0.000 0.866 135 T HN 0.284 nan 8.240 nan 0.000 0.427 136 G N 1.274 110.082 108.800 0.014 0.000 2.414 136 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 136 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 136 G C 1.740 176.655 174.900 0.024 0.000 1.188 136 G CA 1.432 46.543 45.100 0.019 0.000 0.783 136 G HN 0.446 nan 8.290 nan 0.000 0.537 137 T N 0.933 115.501 114.554 0.025 0.000 2.720 137 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 137 T C 2.435 177.152 174.700 0.028 0.000 1.037 137 T CA 1.593 63.711 62.100 0.029 0.000 1.144 137 T CB -0.495 68.390 68.868 0.030 0.000 0.864 137 T HN 0.359 nan 8.240 nan 0.000 0.444 138 G N 0.939 109.753 108.800 0.023 0.000 2.408 138 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.215 138 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.215 138 G C 1.863 176.774 174.900 0.017 0.000 1.156 138 G CA 1.022 46.134 45.100 0.020 0.000 0.793 138 G HN 0.622 nan 8.290 nan 0.000 0.535 139 S N 0.525 116.234 115.700 0.015 0.000 2.478 139 S HA 0.402 4.872 4.470 -0.000 0.000 0.222 139 S C 2.517 177.124 174.600 0.011 0.000 1.008 139 S CA 1.081 59.287 58.200 0.009 0.000 0.928 139 S CB -0.003 63.201 63.200 0.007 0.000 0.781 139 S HN 0.442 nan 8.310 nan 0.000 0.518 140 A N 3.197 126.030 122.820 0.022 0.000 1.908 140 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 140 A C 0.037 177.639 177.584 0.031 0.000 1.181 140 A CA 1.533 53.587 52.037 0.028 0.000 0.627 140 A CB -1.819 17.203 19.000 0.037 0.000 0.818 140 A HN 0.538 nan 8.150 nan 0.000 0.445 141 P HA -0.071 nan 4.420 nan 0.000 0.218 141 P C 1.525 178.820 177.300 -0.008 0.000 1.149 141 P CA 1.076 64.224 63.100 0.081 0.000 0.817 141 P CB -0.060 31.711 31.700 0.119 0.000 0.785 142 V N -0.562 119.333 119.914 -0.032 0.000 2.307 142 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 142 V C 2.413 178.459 176.094 -0.080 0.000 1.045 142 V CA 1.664 63.915 62.300 -0.081 0.000 1.024 142 V CB -1.247 30.549 31.823 -0.045 0.000 0.651 142 V HN -0.039 nan 8.190 nan 0.000 0.449 143 V N 0.516 120.408 119.914 -0.037 0.000 2.407 143 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 143 V C 2.697 178.772 176.094 -0.031 0.000 1.055 143 V CA 1.933 64.218 62.300 -0.025 0.000 1.049 143 V CB -1.175 30.647 31.823 -0.001 0.000 0.662 143 V HN 0.550 nan 8.190 nan 0.000 0.455 144 A N -0.355 122.451 122.820 -0.024 0.000 1.873 144 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 144 A C 2.299 179.857 177.584 -0.045 0.000 1.186 144 A CA 1.931 53.967 52.037 -0.002 0.000 0.616 144 A CB -0.498 18.541 19.000 0.064 0.000 0.823 144 A HN 0.596 nan 8.150 nan 0.000 0.442 145 E N -0.177 119.901 120.200 -0.203 0.000 2.051 145 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 145 E C 1.877 178.387 176.600 -0.151 0.000 0.991 145 E CA 1.392 57.583 56.400 -0.349 0.000 0.799 145 E CB -0.241 29.035 29.700 -0.708 0.000 0.748 145 E HN 0.661 nan 8.360 nan 0.000 0.449 146 I N 0.536 121.035 120.570 -0.118 0.000 2.264 146 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 146 I C 2.682 178.775 176.117 -0.040 0.000 1.111 146 I CA 0.998 62.258 61.300 -0.066 0.000 1.382 146 I CB -0.338 37.631 38.000 -0.051 0.000 1.060 146 I HN 0.147 nan 8.210 nan 0.000 0.418 147 S N 0.825 116.505 115.700 -0.034 0.000 2.368 147 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 147 S C 2.042 176.636 174.600 -0.011 0.000 1.030 147 S CA 1.396 59.586 58.200 -0.017 0.000 0.999 147 S CB -0.060 63.131 63.200 -0.015 0.000 0.844 147 S HN 0.356 nan 8.310 nan 0.000 0.459 148 K N 0.570 120.966 120.400 -0.007 0.000 2.103 148 K HA 0.022 4.342 4.320 -0.000 0.000 0.204 148 K C 2.295 178.896 176.600 0.002 0.000 1.052 148 K CA 0.933 57.224 56.287 0.006 0.000 0.945 148 K CB -0.130 32.388 32.500 0.031 0.000 0.722 148 K HN 0.341 nan 8.250 nan 0.000 0.443 149 K N 1.149 121.543 120.400 -0.009 0.000 2.103 149 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 149 K C 2.002 178.599 176.600 -0.005 0.000 1.048 149 K CA 1.439 57.720 56.287 -0.009 0.000 0.930 149 K CB -0.262 32.225 32.500 -0.021 0.000 0.716 149 K HN 0.328 nan 8.250 nan 0.000 0.444 150 I N -2.705 117.862 120.570 -0.006 0.000 3.735 150 I HA 0.212 4.382 4.170 -0.000 0.000 0.310 150 I C 0.718 176.837 176.117 0.003 0.000 1.270 150 I CA 0.406 61.705 61.300 -0.002 0.000 1.207 150 I CB -0.186 37.812 38.000 -0.004 0.000 1.013 150 I HN 0.178 nan 8.210 nan 0.000 0.452 151 G N 1.448 110.251 108.800 0.005 0.000 2.160 151 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.251 151 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.251 151 G C 0.309 175.220 174.900 0.018 0.000 1.008 151 G CA 0.121 45.227 45.100 0.011 0.000 0.724 151 G HN 0.969 nan 8.290 nan 0.000 0.514 152 A N -0.344 122.484 122.820 0.014 0.000 2.302 152 A HA 0.744 5.064 4.320 -0.000 0.000 0.285 152 A C 0.695 178.285 177.584 0.011 0.000 1.105 152 A CA -0.475 51.576 52.037 0.023 0.000 0.816 152 A CB 0.809 19.817 19.000 0.013 0.000 1.067 152 A HN 1.089 nan 8.150 nan 0.000 0.489 153 L N 2.037 123.277 121.223 0.029 0.000 2.500 153 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 153 L C -0.255 176.563 176.870 -0.087 0.000 1.149 153 L CA 0.241 55.068 54.840 -0.021 0.000 0.897 153 L CB 0.306 42.367 42.059 0.004 0.000 1.178 153 L HN 0.745 nan 8.230 nan 0.000 0.473 154 T N 4.760 119.261 114.554 -0.088 0.000 2.738 154 T HA 0.382 4.732 4.350 -0.000 0.000 0.298 154 T C -0.184 174.426 174.700 -0.150 0.000 0.962 154 T CA -0.320 61.716 62.100 -0.106 0.000 0.972 154 T CB 1.143 69.987 68.868 -0.041 0.000 0.928 154 T HN 0.299 nan 8.240 nan 0.000 0.474 155 V N 2.861 122.618 119.914 -0.263 0.000 2.487 155 V HA 0.776 4.896 4.120 -0.000 0.000 0.298 155 V C 0.029 176.050 176.094 -0.121 0.000 1.028 155 V CA -1.026 61.117 62.300 -0.262 0.000 0.860 155 V CB 1.629 33.118 31.823 -0.555 0.000 0.991 155 V HN 1.004 nan 8.190 nan 0.000 0.427 156 A N 4.409 127.221 122.820 -0.014 0.000 2.324 156 A HA 0.891 5.211 4.320 -0.000 0.000 0.330 156 A C -0.821 176.819 177.584 0.093 0.000 1.165 156 A CA -0.565 51.504 52.037 0.053 0.000 0.813 156 A CB 1.625 20.652 19.000 0.044 0.000 1.197 156 A HN 0.739 nan 8.150 nan 0.000 0.484 157 V N 3.479 123.465 119.914 0.120 0.000 2.398 157 V HA 0.510 4.629 4.120 -0.000 0.000 0.282 157 V C -0.206 175.932 176.094 0.074 0.000 1.014 157 V CA -0.367 61.999 62.300 0.111 0.000 0.838 157 V CB 0.826 32.737 31.823 0.148 0.000 1.018 157 V HN 1.078 nan 8.190 nan 0.000 0.432 158 V N 1.885 121.830 119.914 0.053 0.000 3.074 158 V HA 0.979 5.099 4.120 -0.000 0.000 0.314 158 V C -0.054 176.049 176.094 0.014 0.000 1.117 158 V CA -0.531 61.791 62.300 0.037 0.000 1.014 158 V CB 2.295 34.143 31.823 0.041 0.000 1.057 158 V HN 0.786 nan 8.190 nan 0.000 0.438 159 T N 0.650 115.205 114.554 0.001 0.000 2.918 159 T HA 0.793 5.143 4.350 -0.000 0.000 0.286 159 T C -0.915 173.764 174.700 -0.036 0.000 1.026 159 T CA -0.688 61.390 62.100 -0.036 0.000 1.031 159 T CB 1.632 70.465 68.868 -0.057 0.000 1.046 159 T HN 0.632 nan 8.240 nan 0.000 0.479 160 L N 3.295 124.474 121.223 -0.073 0.000 2.322 160 L HA 0.584 4.924 4.340 -0.000 0.000 0.279 160 L C -1.998 174.809 176.870 -0.106 0.000 1.036 160 L CA -2.449 52.357 54.840 -0.057 0.000 0.807 160 L CB 1.144 43.169 42.059 -0.055 0.000 1.226 160 L HN 0.577 nan 8.230 nan 0.000 0.433 161 P HA 0.055 nan 4.420 nan 0.000 0.271 161 P C -0.394 176.895 177.300 -0.018 0.000 1.233 161 P CA -0.189 62.917 63.100 0.009 0.000 0.789 161 P CB 0.413 32.181 31.700 0.113 0.000 0.951 162 F N -0.372 119.631 119.950 0.089 0.000 2.490 162 F HA -0.032 4.495 4.527 -0.000 0.000 0.336 162 F C 2.134 177.993 175.800 0.098 0.000 1.178 162 F CA -0.069 57.979 58.000 0.079 0.000 1.301 162 F CB -0.127 38.912 39.000 0.065 0.000 1.175 162 F HN 0.123 nan 8.300 nan 0.000 0.593 163 V N 0.459 120.558 119.914 0.307 0.000 2.626 163 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 163 V C 1.834 178.024 176.094 0.159 0.000 1.067 163 V CA 1.803 64.211 62.300 0.180 0.000 1.081 163 V CB -1.230 30.669 31.823 0.127 0.000 0.686 163 V HN 0.921 nan 8.190 nan 0.000 0.468 164 M N 0.138 119.849 119.600 0.185 0.000 2.446 164 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 164 M C 1.682 178.064 176.300 0.137 0.000 1.066 164 M CA 2.033 57.403 55.300 0.116 0.000 1.087 164 M CB -0.896 31.745 32.600 0.068 0.000 1.406 164 M HN 0.366 nan 8.290 nan 0.000 0.459 165 E N 1.454 121.771 120.200 0.196 0.000 2.427 165 E HA 0.266 4.616 4.350 -0.000 0.000 0.196 165 E C 0.765 177.439 176.600 0.123 0.000 1.028 165 E CA 0.325 56.835 56.400 0.184 0.000 0.864 165 E CB 0.102 29.949 29.700 0.245 0.000 0.813 165 E HN 0.756 nan 8.360 nan 0.000 0.514 166 G N 1.049 109.912 108.800 0.104 0.000 2.619 166 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 166 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 166 G C -0.043 174.898 174.900 0.069 0.000 1.256 166 G CA -0.418 44.727 45.100 0.075 0.000 0.826 166 G HN 0.010 nan 8.290 nan 0.000 0.619 167 K N -0.232 120.200 120.400 0.054 0.000 2.155 167 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 167 K C 2.587 179.216 176.600 0.047 0.000 1.052 167 K CA 1.420 57.736 56.287 0.048 0.000 0.948 167 K CB -0.077 32.446 32.500 0.039 0.000 0.728 167 K HN 0.338 nan 8.250 nan 0.000 0.448 168 V N 1.669 121.610 119.914 0.045 0.000 2.358 168 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 168 V C 2.271 178.393 176.094 0.047 0.000 1.047 168 V CA 1.500 63.825 62.300 0.041 0.000 1.035 168 V CB -0.411 31.433 31.823 0.036 0.000 0.658 168 V HN 0.256 nan 8.190 nan 0.000 0.452 169 R N -0.450 120.084 120.500 0.056 0.000 2.083 169 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 169 R C 2.153 178.490 176.300 0.061 0.000 1.137 169 R CA 1.765 57.902 56.100 0.063 0.000 0.951 169 R CB -0.929 29.422 30.300 0.084 0.000 0.851 169 R HN 0.460 nan 8.270 nan 0.000 0.434 170 M N 1.363 121.001 119.600 0.063 0.000 2.175 170 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 170 M C 2.100 178.432 176.300 0.054 0.000 1.063 170 M CA 1.680 57.015 55.300 0.058 0.000 1.119 170 M CB -0.227 32.408 32.600 0.058 0.000 1.377 170 M HN -0.012 nan 8.290 nan 0.000 0.415 171 K N -0.444 119.986 120.400 0.050 0.000 2.026 171 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 171 K C 1.673 178.299 176.600 0.044 0.000 1.048 171 K CA 2.096 58.411 56.287 0.046 0.000 0.929 171 K CB -0.254 32.270 32.500 0.039 0.000 0.713 171 K HN 0.557 nan 8.250 nan 0.000 0.439 172 N N -0.071 118.655 118.700 0.042 0.000 2.188 172 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 172 N C 1.762 177.298 175.510 0.043 0.000 1.018 172 N CA 0.887 53.960 53.050 0.038 0.000 0.858 172 N CB -0.122 38.387 38.487 0.036 0.000 0.989 172 N HN 0.274 nan 8.380 nan 0.000 0.426 173 A N 1.228 124.076 122.820 0.048 0.000 1.877 173 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 173 A C 2.090 179.711 177.584 0.061 0.000 1.186 173 A CA 1.269 53.336 52.037 0.050 0.000 0.620 173 A CB -0.336 18.692 19.000 0.047 0.000 0.822 173 A HN 0.135 nan 8.150 nan 0.000 0.443 174 M N -0.749 118.894 119.600 0.071 0.000 2.159 174 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 174 M C 1.945 178.287 176.300 0.071 0.000 1.063 174 M CA 1.854 57.213 55.300 0.098 0.000 1.110 174 M CB -1.291 31.374 32.600 0.108 0.000 1.374 174 M HN 0.590 nan 8.290 nan 0.000 0.411 175 E N 0.236 120.465 120.200 0.049 0.000 2.072 175 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 175 E C 2.055 178.672 176.600 0.029 0.000 0.985 175 E CA 1.786 58.204 56.400 0.030 0.000 0.801 175 E CB -0.684 29.032 29.700 0.027 0.000 0.750 175 E HN 0.455 nan 8.360 nan 0.000 0.452 176 G N 0.346 109.169 108.800 0.038 0.000 2.432 176 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 176 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 176 G C 1.457 176.383 174.900 0.042 0.000 1.135 176 G CA 0.814 45.938 45.100 0.040 0.000 0.767 176 G HN 0.321 nan 8.290 nan 0.000 0.550 177 L N 0.497 121.752 121.223 0.054 0.000 2.141 177 L HA 0.078 4.418 4.340 -0.000 0.000 0.209 177 L C 2.576 179.458 176.870 0.018 0.000 1.094 177 L CA 1.823 56.702 54.840 0.065 0.000 0.763 177 L CB -0.297 41.841 42.059 0.132 0.000 0.908 177 L HN 0.296 nan 8.230 nan 0.000 0.437 178 E N -0.321 119.876 120.200 -0.006 0.000 2.072 178 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 178 E C 2.303 178.872 176.600 -0.052 0.000 0.982 178 E CA 1.340 57.705 56.400 -0.058 0.000 0.803 178 E CB -0.027 29.642 29.700 -0.052 0.000 0.755 178 E HN 0.358 nan 8.360 nan 0.000 0.453 179 R N -0.514 119.978 120.500 -0.014 0.000 2.153 179 R HA 0.011 4.351 4.340 -0.000 0.000 0.218 179 R C 2.066 178.380 176.300 0.023 0.000 1.072 179 R CA 0.655 56.757 56.100 0.003 0.000 0.990 179 R CB -0.172 30.155 30.300 0.045 0.000 0.889 179 R HN 0.193 nan 8.270 nan 0.000 0.452 180 L N 2.014 123.254 121.223 0.029 0.000 2.109 180 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 180 L C 1.897 178.770 176.870 0.004 0.000 1.086 180 L CA 1.761 56.631 54.840 0.050 0.000 0.760 180 L CB -0.272 41.817 42.059 0.050 0.000 0.910 180 L HN 0.039 nan 8.230 nan 0.000 0.437 181 K N -1.275 119.103 120.400 -0.036 0.000 2.555 181 K HA -0.079 4.240 4.320 -0.000 0.000 0.193 181 K C 1.190 177.717 176.600 -0.122 0.000 1.032 181 K CA 0.891 57.143 56.287 -0.059 0.000 1.004 181 K CB -0.168 32.296 32.500 -0.061 0.000 0.804 181 K HN 0.475 nan 8.250 nan 0.000 0.496 182 Q N -0.228 119.438 119.800 -0.224 0.000 2.282 182 Q HA 0.075 4.415 4.340 -0.000 0.000 0.206 182 Q C 0.250 175.901 176.000 -0.580 0.000 0.878 182 Q CA 0.195 55.756 55.803 -0.402 0.000 0.944 182 Q CB 0.566 29.002 28.738 -0.504 0.000 1.100 182 Q HN 0.534 nan 8.270 nan 0.000 0.509 183 H N -0.754 118.305 119.070 -0.018 0.000 3.367 183 H HA 0.139 4.695 4.556 -0.000 0.000 0.257 183 H C 0.123 175.438 175.328 -0.022 0.000 1.201 183 H CA 0.267 56.304 56.048 -0.018 0.000 1.102 183 H CB 0.931 30.684 29.762 -0.014 0.000 1.656 183 H HN 0.091 nan 8.280 nan 0.000 0.662 184 T N -1.500 113.080 114.554 0.044 0.000 2.855 184 T HA 0.257 4.607 4.350 -0.000 0.000 0.281 184 T C 0.599 175.292 174.700 -0.012 0.000 1.007 184 T CA -0.725 61.384 62.100 0.015 0.000 1.009 184 T CB 2.580 71.455 68.868 0.011 0.000 0.983 184 T HN -0.156 nan 8.240 nan 0.000 0.455 185 D N 1.570 121.953 120.400 -0.029 0.000 2.183 185 D HA 0.079 4.719 4.640 -0.000 0.000 0.205 185 D C 0.313 176.592 176.300 -0.035 0.000 0.962 185 D CA 1.087 55.064 54.000 -0.037 0.000 0.849 185 D CB 0.296 41.063 40.800 -0.054 0.000 0.978 185 D HN 0.600 nan 8.370 nan 0.000 0.488 186 T N 0.723 115.253 114.554 -0.039 0.000 2.921 186 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 186 T C -1.095 173.603 174.700 -0.004 0.000 1.013 186 T CA -0.580 61.509 62.100 -0.019 0.000 0.990 186 T CB 2.304 71.158 68.868 -0.023 0.000 1.023 186 T HN -0.151 nan 8.240 nan 0.000 0.447 187 L N 5.227 126.462 121.223 0.020 0.000 2.337 187 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 187 L C -0.908 175.993 176.870 0.051 0.000 1.018 187 L CA -0.540 54.322 54.840 0.037 0.000 0.876 187 L CB 0.669 42.755 42.059 0.044 0.000 1.236 187 L HN 0.435 nan 8.230 nan 0.000 0.436 188 V N 5.777 125.724 119.914 0.057 0.000 2.408 188 V HA 0.373 4.493 4.120 -0.000 0.000 0.267 188 V C 0.083 176.206 176.094 0.048 0.000 1.047 188 V CA -0.433 61.902 62.300 0.058 0.000 0.937 188 V CB 1.172 33.042 31.823 0.079 0.000 0.999 188 V HN 0.475 nan 8.190 nan 0.000 0.472 189 V N 6.843 126.777 119.914 0.033 0.000 2.417 189 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 189 V C -0.160 175.926 176.094 -0.012 0.000 1.024 189 V CA -0.457 61.852 62.300 0.015 0.000 0.861 189 V CB 1.797 33.629 31.823 0.015 0.000 0.985 189 V HN 0.683 nan 8.190 nan 0.000 0.436 190 I N 6.682 127.237 120.570 -0.026 0.000 2.354 190 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 190 I C -2.583 173.477 176.117 -0.094 0.000 1.007 190 I CA -1.976 59.292 61.300 -0.053 0.000 1.167 190 I CB 2.249 40.220 38.000 -0.048 0.000 1.320 190 I HN 0.418 nan 8.210 nan 0.000 0.458 191 P HA 0.249 nan 4.420 nan 0.000 0.284 191 P C 0.042 177.210 177.300 -0.220 0.000 1.343 191 P CA -0.183 62.834 63.100 -0.138 0.000 0.826 191 P CB 0.338 31.978 31.700 -0.100 0.000 0.956 192 N N 1.975 120.447 118.700 -0.380 0.000 2.272 192 N HA -0.232 4.508 4.740 -0.000 0.000 0.185 192 N C 1.546 176.671 175.510 -0.642 0.000 1.014 192 N CA 0.601 53.209 53.050 -0.737 0.000 0.870 192 N CB 0.026 37.643 38.487 -1.449 0.000 0.975 192 N HN 0.433 nan 8.380 nan 0.000 0.433 193 E N 1.768 121.793 120.200 -0.292 0.000 2.077 193 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 193 E C 1.315 177.981 176.600 0.110 0.000 0.989 193 E CA 1.262 57.719 56.400 0.095 0.000 0.800 193 E CB 0.095 29.869 29.700 0.124 0.000 0.746 193 E HN 0.068 nan 8.360 nan 0.000 0.452 194 K N 0.030 120.426 120.400 -0.006 0.000 2.442 194 K HA -0.098 4.222 4.320 -0.000 0.000 0.198 194 K C 1.666 178.262 176.600 -0.007 0.000 1.044 194 K CA 0.317 56.610 56.287 0.010 0.000 0.948 194 K CB -0.238 32.245 32.500 -0.027 0.000 0.762 194 K HN 0.205 nan 8.250 nan 0.000 0.472 195 L N -0.226 120.944 121.223 -0.089 0.000 2.275 195 L HA -0.063 4.277 4.340 -0.000 0.000 0.215 195 L C 1.733 178.533 176.870 -0.115 0.000 1.119 195 L CA 1.281 56.040 54.840 -0.136 0.000 0.790 195 L CB -0.790 41.141 42.059 -0.213 0.000 0.919 195 L HN 0.018 nan 8.230 nan 0.000 0.443 196 F N -0.182 119.812 119.950 0.074 0.000 2.502 196 F HA -0.090 4.437 4.527 0.000 0.000 0.298 196 F C 2.292 178.102 175.800 0.017 0.000 1.111 196 F CA 0.650 58.673 58.000 0.039 0.000 1.445 196 F CB -0.433 38.589 39.000 0.037 0.000 1.081 196 F HN 0.231 nan 8.300 nan 0.000 0.558 197 E N -0.301 119.998 120.200 0.165 0.000 2.435 197 E HA -0.024 4.325 4.350 -0.000 0.000 0.195 197 E C 2.113 178.747 176.600 0.057 0.000 1.029 197 E CA 0.399 56.855 56.400 0.094 0.000 0.865 197 E CB 0.083 29.822 29.700 0.064 0.000 0.833 197 E HN 0.426 nan 8.360 nan 0.000 0.510 198 I N -0.122 120.473 120.570 0.042 0.000 2.556 198 I HA -0.026 4.144 4.170 -0.000 0.000 0.251 198 I C 0.856 176.989 176.117 0.026 0.000 1.105 198 I CA 0.427 61.738 61.300 0.018 0.000 1.436 198 I CB 0.819 38.815 38.000 -0.008 0.000 1.139 198 I HN -0.117 nan 8.210 nan 0.000 0.438 199 V N 3.164 123.100 119.914 0.036 0.000 2.380 199 V HA 0.420 4.540 4.120 -0.000 0.000 0.268 199 V C -2.589 173.573 176.094 0.113 0.000 1.008 199 V CA -2.003 60.325 62.300 0.047 0.000 0.823 199 V CB 0.952 32.783 31.823 0.014 0.000 1.053 199 V HN -0.073 nan 8.190 nan 0.000 0.446 200 P HA 0.234 nan 4.420 nan 0.000 0.270 200 P C -0.230 177.137 177.300 0.112 0.000 1.227 200 P CA 0.192 63.371 63.100 0.133 0.000 0.788 200 P CB 0.140 31.880 31.700 0.065 0.000 0.926 201 N N -1.482 117.260 118.700 0.070 0.000 2.650 201 N HA -0.226 4.514 4.740 -0.000 0.000 0.272 201 N C -0.517 175.037 175.510 0.074 0.000 1.058 201 N CA 0.721 53.787 53.050 0.027 0.000 0.765 201 N CB -1.348 37.142 38.487 0.005 0.000 0.902 201 N HN 0.442 nan 8.380 nan 0.000 0.551 202 M N 0.799 120.500 119.600 0.167 0.000 2.227 202 M HA 0.480 4.960 4.480 -0.000 0.000 0.335 202 M C -2.335 174.026 176.300 0.101 0.000 1.053 202 M CA -1.796 53.593 55.300 0.148 0.000 0.973 202 M CB 1.365 34.068 32.600 0.173 0.000 1.623 202 M HN -0.048 nan 8.290 nan 0.000 0.434 203 P HA -0.033 nan 4.420 nan 0.000 0.271 203 P C 0.649 177.927 177.300 -0.036 0.000 1.233 203 P CA -0.580 62.519 63.100 -0.002 0.000 0.789 203 P CB 0.530 32.231 31.700 0.002 0.000 0.951 204 L N 1.307 122.511 121.223 -0.031 0.000 1.970 204 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 204 L C 1.890 178.771 176.870 0.019 0.000 1.071 204 L CA 2.186 57.003 54.840 -0.038 0.000 0.751 204 L CB -0.903 41.177 42.059 0.036 0.000 0.889 204 L HN 0.367 nan 8.230 nan 0.000 0.432 205 K N 0.075 120.515 120.400 0.068 0.000 2.009 205 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 205 K C 2.218 178.866 176.600 0.080 0.000 1.049 205 K CA 1.657 58.009 56.287 0.109 0.000 0.929 205 K CB -0.885 31.656 32.500 0.068 0.000 0.714 205 K HN 0.315 nan 8.250 nan 0.000 0.440 206 L N 1.019 122.254 121.223 0.021 0.000 2.127 206 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 206 L C 2.182 179.023 176.870 -0.049 0.000 1.089 206 L CA 1.965 56.805 54.840 0.001 0.000 0.757 206 L CB -0.704 41.351 42.059 -0.006 0.000 0.899 206 L HN 0.207 nan 8.230 nan 0.000 0.434 207 A N -0.833 121.889 122.820 -0.163 0.000 1.883 207 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 207 A C 2.024 179.466 177.584 -0.236 0.000 1.186 207 A CA 2.161 53.964 52.037 -0.390 0.000 0.624 207 A CB -1.048 17.414 19.000 -0.897 0.000 0.822 207 A HN 0.447 nan 8.150 nan 0.000 0.444 208 F N -0.153 119.827 119.950 0.050 0.000 2.456 208 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 208 F C 2.242 178.083 175.800 0.068 0.000 1.104 208 F CA 1.025 59.101 58.000 0.127 0.000 1.435 208 F CB 0.024 39.087 39.000 0.104 0.000 1.078 208 F HN 0.037 nan 8.300 nan 0.000 0.546 209 K N 0.088 120.594 120.400 0.176 0.000 2.155 209 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 209 K C 2.170 178.810 176.600 0.066 0.000 1.052 209 K CA 0.790 57.140 56.287 0.105 0.000 0.948 209 K CB -0.643 31.898 32.500 0.067 0.000 0.728 209 K HN 0.166 nan 8.250 nan 0.000 0.448 210 V N 1.179 121.117 119.914 0.041 0.000 2.591 210 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 210 V C 2.338 178.442 176.094 0.016 0.000 1.053 210 V CA 1.586 63.891 62.300 0.009 0.000 1.068 210 V CB -0.478 31.326 31.823 -0.032 0.000 0.689 210 V HN 0.216 nan 8.190 nan 0.000 0.462 211 A N -0.108 122.746 122.820 0.057 0.000 1.929 211 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 211 A C 1.979 179.594 177.584 0.052 0.000 1.176 211 A CA 1.704 53.767 52.037 0.043 0.000 0.628 211 A CB -0.487 18.577 19.000 0.107 0.000 0.816 211 A HN 0.503 nan 8.150 nan 0.000 0.444 212 D N -0.274 120.176 120.400 0.084 0.000 2.104 212 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 212 D C 1.884 178.202 176.300 0.029 0.000 0.994 212 D CA 1.667 55.703 54.000 0.060 0.000 0.830 212 D CB -0.324 40.515 40.800 0.065 0.000 0.959 212 D HN 0.453 nan 8.370 nan 0.000 0.452 213 E N 0.391 120.605 120.200 0.022 0.000 2.058 213 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 213 E C 2.210 178.808 176.600 -0.003 0.000 0.997 213 E CA 0.481 56.885 56.400 0.006 0.000 0.801 213 E CB -0.286 29.415 29.700 0.003 0.000 0.746 213 E HN 0.032 nan 8.360 nan 0.000 0.450 214 V N 0.519 120.429 119.914 -0.007 0.000 2.295 214 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 214 V C 2.468 178.556 176.094 -0.010 0.000 1.049 214 V CA 1.710 64.001 62.300 -0.015 0.000 1.024 214 V CB -0.494 31.311 31.823 -0.030 0.000 0.648 214 V HN 0.299 nan 8.190 nan 0.000 0.447 215 L N -0.816 120.405 121.223 -0.003 0.000 2.012 215 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 215 L C 2.340 179.210 176.870 -0.000 0.000 1.073 215 L CA 1.912 56.754 54.840 0.003 0.000 0.748 215 L CB -0.326 41.741 42.059 0.014 0.000 0.891 215 L HN 0.275 nan 8.230 nan 0.000 0.431 216 I N -0.403 120.166 120.570 -0.002 0.000 2.127 216 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 216 I C 2.255 178.360 176.117 -0.020 0.000 1.075 216 I CA 1.347 62.640 61.300 -0.011 0.000 1.334 216 I CB -0.465 37.530 38.000 -0.008 0.000 1.040 216 I HN 0.355 nan 8.210 nan 0.000 0.405 217 N N 0.784 119.473 118.700 -0.018 0.000 2.223 217 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 217 N C 1.831 177.330 175.510 -0.017 0.000 1.016 217 N CA 1.569 54.605 53.050 -0.024 0.000 0.863 217 N CB -0.120 38.352 38.487 -0.025 0.000 0.983 217 N HN 0.387 nan 8.380 nan 0.000 0.429 218 A N 0.811 123.626 122.820 -0.008 0.000 1.840 218 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 218 A C 2.542 180.125 177.584 -0.003 0.000 1.198 218 A CA 1.185 53.227 52.037 0.008 0.000 0.608 218 A CB -0.804 18.206 19.000 0.016 0.000 0.839 218 A HN 0.076 nan 8.150 nan 0.000 0.443 219 V N 0.434 120.333 119.914 -0.026 0.000 2.295 219 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 219 V C 2.563 178.556 176.094 -0.167 0.000 1.049 219 V CA 2.396 64.638 62.300 -0.096 0.000 1.024 219 V CB -0.701 31.076 31.823 -0.075 0.000 0.648 219 V HN 0.674 nan 8.190 nan 0.000 0.447 220 K N 0.285 120.627 120.400 -0.096 0.000 2.097 220 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 220 K C 2.157 178.739 176.600 -0.031 0.000 1.050 220 K CA 1.500 57.738 56.287 -0.082 0.000 0.938 220 K CB -0.537 31.934 32.500 -0.048 0.000 0.718 220 K HN 0.484 nan 8.250 nan 0.000 0.442 221 G N 1.370 110.172 108.800 0.003 0.000 2.418 221 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 221 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 221 G C 1.476 176.502 174.900 0.211 0.000 1.158 221 G CA 0.502 45.668 45.100 0.110 0.000 0.771 221 G HN 0.216 nan 8.290 nan 0.000 0.545 222 L N 0.032 121.289 121.223 0.056 0.000 2.044 222 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 222 L C 3.050 179.881 176.870 -0.065 0.000 1.075 222 L CA 0.584 55.450 54.840 0.043 0.000 0.747 222 L CB -0.278 41.828 42.059 0.079 0.000 0.903 222 L HN 0.115 nan 8.230 nan 0.000 0.435 223 V N 0.010 119.741 119.914 -0.304 0.000 2.233 223 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 223 V C 2.233 178.260 176.094 -0.112 0.000 1.050 223 V CA 1.961 64.052 62.300 -0.348 0.000 1.010 223 V CB -0.556 30.985 31.823 -0.470 0.000 0.637 223 V HN 0.487 nan 8.190 nan 0.000 0.444 224 E N -0.046 120.121 120.200 -0.056 0.000 2.401 224 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 224 E C 2.003 178.558 176.600 -0.075 0.000 1.023 224 E CA 0.851 57.251 56.400 -0.001 0.000 0.859 224 E CB -0.190 29.563 29.700 0.088 0.000 0.780 224 E HN 0.487 nan 8.360 nan 0.000 0.523 225 L N 0.389 121.504 121.223 -0.181 0.000 2.217 225 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 225 L C 1.776 178.521 176.870 -0.209 0.000 1.107 225 L CA 1.466 56.011 54.840 -0.490 0.000 0.783 225 L CB 0.052 41.908 42.059 -0.338 0.000 0.919 225 L HN 0.029 nan 8.230 nan 0.000 0.442 226 I N -1.320 119.211 120.570 -0.066 0.000 3.081 226 I HA -0.046 4.124 4.170 -0.000 0.000 0.274 226 I C 1.974 178.085 176.117 -0.010 0.000 1.178 226 I CA 1.068 62.380 61.300 0.020 0.000 1.460 226 I CB -0.256 37.834 38.000 0.150 0.000 1.137 226 I HN 0.401 nan 8.210 nan 0.000 0.443 227 T N -2.246 112.289 114.554 -0.033 0.000 2.990 227 T HA 0.078 4.428 4.350 -0.000 0.000 0.249 227 T C 0.906 175.582 174.700 -0.040 0.000 1.039 227 T CA -0.165 61.910 62.100 -0.041 0.000 1.036 227 T CB 0.093 68.936 68.868 -0.042 0.000 0.994 227 T HN -0.019 nan 8.240 nan 0.000 0.489 228 K N 3.050 123.429 120.400 -0.036 0.000 2.276 228 K HA 0.240 4.560 4.320 -0.000 0.000 0.285 228 K C -1.024 175.561 176.600 -0.025 0.000 1.062 228 K CA -0.630 55.647 56.287 -0.017 0.000 0.918 228 K CB 0.439 32.950 32.500 0.019 0.000 1.055 228 K HN 0.383 nan 8.250 nan 0.000 0.477 229 D N 2.663 123.050 120.400 -0.021 0.000 2.390 229 D HA 0.285 4.925 4.640 -0.000 0.000 0.249 229 D C 0.382 176.676 176.300 -0.011 0.000 1.144 229 D CA -0.474 53.511 54.000 -0.024 0.000 0.880 229 D CB 1.529 42.316 40.800 -0.021 0.000 1.182 229 D HN 0.536 nan 8.370 nan 0.000 0.451 230 G N 0.291 109.079 108.800 -0.020 0.000 3.222 230 G HA2 0.329 4.289 3.960 -0.000 0.000 0.263 230 G HA3 0.329 4.289 3.960 -0.000 0.000 0.263 230 G C 0.598 175.494 174.900 -0.007 0.000 1.312 230 G CA -1.070 44.031 45.100 0.002 0.000 0.934 230 G HN 0.467 nan 8.290 nan 0.000 0.577 231 L N -0.559 120.672 121.223 0.014 0.000 2.261 231 L HA 0.178 4.518 4.340 -0.000 0.000 0.216 231 L C 0.958 177.818 176.870 -0.017 0.000 1.114 231 L CA 1.143 55.994 54.840 0.018 0.000 0.777 231 L CB -0.282 41.812 42.059 0.058 0.000 0.910 231 L HN 0.267 nan 8.230 nan 0.000 0.440 232 I N -1.630 118.894 120.570 -0.077 0.000 2.913 232 I HA 0.211 4.381 4.170 -0.000 0.000 0.302 232 I C -0.819 175.176 176.117 -0.203 0.000 1.246 232 I CA -0.691 60.510 61.300 -0.166 0.000 1.010 232 I CB 2.314 40.122 38.000 -0.319 0.000 1.259 232 I HN -0.088 nan 8.210 nan 0.000 0.434 233 N N 4.646 123.230 118.700 -0.192 0.000 2.518 233 N HA 0.283 5.023 4.740 -0.000 0.000 0.283 233 N C -1.448 173.932 175.510 -0.217 0.000 1.119 233 N CA -0.196 52.756 53.050 -0.162 0.000 0.983 233 N CB 2.080 40.509 38.487 -0.097 0.000 1.139 233 N HN 0.404 nan 8.380 nan 0.000 0.465 234 V N 2.779 122.593 119.914 -0.166 0.000 2.347 234 V HA 0.228 4.348 4.120 -0.000 0.000 0.280 234 V C -0.640 175.421 176.094 -0.055 0.000 1.021 234 V CA -0.727 61.482 62.300 -0.152 0.000 0.847 234 V CB 1.068 32.806 31.823 -0.140 0.000 0.990 234 V HN 0.723 nan 8.190 nan 0.000 0.444 235 D N 4.571 124.944 120.400 -0.044 0.000 2.312 235 D HA 0.145 4.785 4.640 -0.000 0.000 0.252 235 D C 0.606 176.949 176.300 0.071 0.000 1.150 235 D CA -0.127 53.885 54.000 0.020 0.000 0.870 235 D CB 1.031 41.831 40.800 -0.001 0.000 1.153 235 D HN 0.495 nan 8.370 nan 0.000 0.457 236 F N 3.940 123.873 119.950 -0.027 0.000 2.269 236 F HA -0.038 4.489 4.527 -0.000 0.000 0.301 236 F C 2.040 177.834 175.800 -0.010 0.000 1.082 236 F CA 1.337 59.328 58.000 -0.015 0.000 1.360 236 F CB -0.218 38.775 39.000 -0.012 0.000 1.041 236 F HN 0.515 nan 8.300 nan 0.000 0.512 237 A N -0.418 122.379 122.820 -0.039 0.000 2.019 237 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 237 A C 1.991 179.484 177.584 -0.151 0.000 1.164 237 A CA 1.878 53.848 52.037 -0.111 0.000 0.644 237 A CB -0.704 18.286 19.000 -0.017 0.000 0.805 237 A HN 0.394 nan 8.150 nan 0.000 0.449 238 D N -0.367 119.965 120.400 -0.114 0.000 2.137 238 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 238 D C 2.122 178.341 176.300 -0.135 0.000 0.970 238 D CA 1.205 55.150 54.000 -0.092 0.000 0.837 238 D CB -0.295 40.475 40.800 -0.049 0.000 0.981 238 D HN 0.218 nan 8.370 nan 0.000 0.475 239 V N 1.437 121.235 119.914 -0.193 0.000 2.287 239 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 239 V C 2.446 178.364 176.094 -0.293 0.000 1.053 239 V CA 1.638 63.812 62.300 -0.211 0.000 1.027 239 V CB -0.401 31.290 31.823 -0.221 0.000 0.646 239 V HN 0.125 nan 8.190 nan 0.000 0.447 240 K N -0.104 120.009 120.400 -0.479 0.000 2.032 240 K HA -0.198 4.121 4.320 -0.000 0.000 0.209 240 K C 2.304 178.786 176.600 -0.197 0.000 1.048 240 K CA 1.665 57.723 56.287 -0.380 0.000 0.927 240 K CB -0.487 31.769 32.500 -0.407 0.000 0.712 240 K HN 0.484 nan 8.250 nan 0.000 0.441 241 A N 0.430 123.156 122.820 -0.156 0.000 1.902 241 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 241 A C 2.251 179.794 177.584 -0.068 0.000 1.181 241 A CA 1.629 53.611 52.037 -0.091 0.000 0.623 241 A CB -0.478 18.482 19.000 -0.067 0.000 0.818 241 A HN 0.124 nan 8.150 nan 0.000 0.443 242 V N -0.766 119.107 119.914 -0.069 0.000 2.649 242 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 242 V C 2.298 178.367 176.094 -0.041 0.000 1.054 242 V CA 1.803 64.079 62.300 -0.039 0.000 1.073 242 V CB -0.464 31.348 31.823 -0.019 0.000 0.699 242 V HN 0.558 nan 8.190 nan 0.000 0.463 243 M N -0.656 118.903 119.600 -0.068 0.000 2.382 243 M HA 0.122 4.602 4.480 -0.000 0.000 0.247 243 M C 1.766 178.023 176.300 -0.073 0.000 1.104 243 M CA 0.161 55.422 55.300 -0.064 0.000 1.030 243 M CB -0.199 32.358 32.600 -0.073 0.000 1.424 243 M HN 0.259 nan 8.290 nan 0.000 0.486 244 N N 1.816 120.467 118.700 -0.081 0.000 2.223 244 N HA -0.085 4.655 4.740 -0.000 0.000 0.185 244 N C 0.085 175.567 175.510 -0.047 0.000 1.016 244 N CA 1.059 54.067 53.050 -0.070 0.000 0.863 244 N CB 0.194 38.639 38.487 -0.070 0.000 0.983 244 N HN 0.372 nan 8.380 nan 0.000 0.429 245 N N -0.757 117.919 118.700 -0.039 0.000 2.672 245 N HA 0.154 4.894 4.740 -0.000 0.000 0.295 245 N C 0.370 175.868 175.510 -0.019 0.000 1.924 245 N CA -0.063 52.971 53.050 -0.027 0.000 0.851 245 N CB 0.921 39.394 38.487 -0.024 0.000 1.281 245 N HN 0.065 nan 8.380 nan 0.000 0.494 246 G N -0.183 108.606 108.800 -0.018 0.000 2.920 246 G HA2 0.245 4.205 3.960 -0.000 0.000 0.208 246 G HA3 0.245 4.205 3.960 -0.000 0.000 0.208 246 G C 1.153 176.057 174.900 0.006 0.000 1.159 246 G CA 0.433 45.530 45.100 -0.005 0.000 0.784 246 G HN 0.512 nan 8.290 nan 0.000 0.535 247 G N 0.174 108.975 108.800 0.002 0.000 2.634 247 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.309 247 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.309 247 G C 0.138 175.057 174.900 0.031 0.000 1.265 247 G CA 0.276 45.383 45.100 0.012 0.000 0.998 247 G HN 0.758 nan 8.290 nan 0.000 0.551 248 L N 1.445 122.702 121.223 0.056 0.000 2.312 248 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 248 L C 0.553 177.458 176.870 0.058 0.000 1.070 248 L CA 0.416 55.306 54.840 0.083 0.000 0.805 248 L CB 0.589 42.742 42.059 0.156 0.000 1.174 248 L HN 1.617 nan 8.230 nan 0.000 0.434 249 A N 6.288 129.139 122.820 0.050 0.000 2.454 249 A HA 0.854 5.174 4.320 -0.000 0.000 0.302 249 A C -0.904 176.698 177.584 0.030 0.000 1.079 249 A CA -0.697 51.363 52.037 0.039 0.000 0.731 249 A CB 1.871 20.896 19.000 0.042 0.000 1.299 249 A HN 0.821 nan 8.150 nan 0.000 0.413 250 M N 1.567 121.180 119.600 0.022 0.000 2.619 250 M HA 0.584 5.064 4.480 -0.000 0.000 0.297 250 M C -0.552 175.757 176.300 0.016 0.000 1.229 250 M CA -0.557 54.748 55.300 0.009 0.000 0.860 250 M CB 2.311 34.906 32.600 -0.009 0.000 1.741 250 M HN 0.778 nan 8.290 nan 0.000 0.462 251 I N -1.541 119.035 120.570 0.010 0.000 3.023 251 I HA 1.060 5.230 4.170 -0.000 0.000 0.312 251 I C -0.511 175.609 176.117 0.006 0.000 1.056 251 I CA -0.761 60.548 61.300 0.016 0.000 1.033 251 I CB 2.284 40.296 38.000 0.020 0.000 1.233 251 I HN 0.669 nan 8.210 nan 0.000 0.462 252 G N 4.074 112.880 108.800 0.011 0.000 2.719 252 G HA2 0.691 4.651 3.960 -0.000 0.000 0.298 252 G HA3 0.691 4.651 3.960 -0.000 0.000 0.298 252 G C -1.417 173.486 174.900 0.005 0.000 1.433 252 G CA -0.563 44.540 45.100 0.004 0.000 1.034 252 G HN 0.610 nan 8.290 nan 0.000 0.517 253 I N 1.319 121.887 120.570 -0.002 0.000 2.509 253 I HA 0.748 4.918 4.170 -0.000 0.000 0.293 253 I C 0.416 176.529 176.117 -0.008 0.000 1.020 253 I CA -0.692 60.604 61.300 -0.006 0.000 1.088 253 I CB 2.594 40.587 38.000 -0.011 0.000 1.267 253 I HN 0.671 nan 8.210 nan 0.000 0.430 254 G N 4.312 113.106 108.800 -0.009 0.000 2.704 254 G HA2 0.758 4.718 3.960 -0.000 0.000 0.293 254 G HA3 0.758 4.718 3.960 -0.000 0.000 0.293 254 G C -1.850 173.043 174.900 -0.012 0.000 1.421 254 G CA -0.432 44.663 45.100 -0.009 0.000 0.870 254 G HN 0.678 nan 8.290 nan 0.000 0.492 255 E N -1.273 118.920 120.200 -0.011 0.000 2.390 255 E HA 0.691 5.041 4.350 -0.000 0.000 0.280 255 E C -1.438 175.157 176.600 -0.009 0.000 0.992 255 E CA -1.006 55.387 56.400 -0.012 0.000 0.790 255 E CB 1.911 31.601 29.700 -0.016 0.000 1.248 255 E HN 0.663 nan 8.360 nan 0.000 0.447 256 S N -0.141 115.554 115.700 -0.008 0.000 2.579 256 S HA 0.282 4.752 4.470 -0.000 0.000 0.272 256 S C -1.030 173.567 174.600 -0.005 0.000 1.141 256 S CA -0.434 57.763 58.200 -0.006 0.000 0.843 256 S CB 1.987 65.184 63.200 -0.005 0.000 1.122 256 S HN 0.707 nan 8.310 nan 0.000 0.468 257 D N 1.113 121.510 120.400 -0.004 0.000 2.455 257 D HA 0.133 4.773 4.640 -0.000 0.000 0.228 257 D C 1.009 177.307 176.300 -0.002 0.000 1.070 257 D CA 0.608 54.606 54.000 -0.003 0.000 0.881 257 D CB 0.441 41.239 40.800 -0.003 0.000 1.087 257 D HN 0.648 nan 8.370 nan 0.000 0.498 258 S N 0.503 116.202 115.700 -0.002 0.000 2.687 258 S HA -0.025 4.445 4.470 -0.000 0.000 0.248 258 S C 1.316 175.915 174.600 -0.001 0.000 1.390 258 S CA -0.059 58.140 58.200 -0.002 0.000 0.963 258 S CB 0.618 63.817 63.200 -0.002 0.000 0.957 258 S HN 0.014 nan 8.310 nan 0.000 0.584 259 E N 0.615 120.814 120.200 -0.001 0.000 2.150 259 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 259 E C 0.599 177.198 176.600 -0.001 0.000 0.985 259 E CA 1.036 57.436 56.400 -0.001 0.000 0.814 259 E CB -0.127 29.572 29.700 -0.001 0.000 0.752 259 E HN 0.597 nan 8.360 nan 0.000 0.466 260 K N 1.379 121.777 120.400 -0.003 0.000 3.095 260 K HA 0.145 4.464 4.320 -0.000 0.000 0.220 260 K C 1.341 177.938 176.600 -0.005 0.000 1.216 260 K CA -0.193 56.092 56.287 -0.004 0.000 1.167 260 K CB 0.449 32.946 32.500 -0.006 0.000 1.199 260 K HN 0.062 nan 8.250 nan 0.000 0.458 261 R N -0.062 120.437 120.500 -0.003 0.000 2.117 261 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 261 R C 1.803 178.100 176.300 -0.004 0.000 1.143 261 R CA 1.719 57.818 56.100 -0.003 0.000 0.968 261 R CB -0.472 29.827 30.300 -0.001 0.000 0.863 261 R HN 0.184 nan 8.270 nan 0.000 0.444 262 A N 1.452 124.270 122.820 -0.004 0.000 1.897 262 A HA -0.121 4.198 4.320 -0.000 0.000 0.215 262 A C 2.158 179.735 177.584 -0.011 0.000 1.181 262 A CA 1.509 53.542 52.037 -0.005 0.000 0.620 262 A CB -0.341 18.656 19.000 -0.005 0.000 0.821 262 A HN 0.286 nan 8.150 nan 0.000 0.443 263 K N 0.506 120.898 120.400 -0.013 0.000 2.057 263 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 263 K C 1.802 178.394 176.600 -0.012 0.000 1.049 263 K CA 1.991 58.269 56.287 -0.015 0.000 0.931 263 K CB -0.267 32.224 32.500 -0.014 0.000 0.714 263 K HN 0.632 nan 8.250 nan 0.000 0.440 264 E N -0.626 119.568 120.200 -0.009 0.000 2.158 264 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 264 E C 1.900 178.496 176.600 -0.008 0.000 0.982 264 E CA 0.748 57.143 56.400 -0.008 0.000 0.823 264 E CB -0.063 29.634 29.700 -0.006 0.000 0.766 264 E HN 0.393 nan 8.360 nan 0.000 0.468 265 A N 1.281 124.096 122.820 -0.007 0.000 1.873 265 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 265 A C 2.524 180.104 177.584 -0.007 0.000 1.186 265 A CA 1.129 53.162 52.037 -0.007 0.000 0.616 265 A CB -0.603 18.393 19.000 -0.006 0.000 0.823 265 A HN 0.107 nan 8.150 nan 0.000 0.442 266 V N 1.088 120.997 119.914 -0.008 0.000 2.358 266 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 266 V C 2.940 179.028 176.094 -0.009 0.000 1.047 266 V CA 2.267 64.562 62.300 -0.009 0.000 1.035 266 V CB -1.196 30.616 31.823 -0.018 0.000 0.658 266 V HN 0.784 nan 8.190 nan 0.000 0.452 267 S N 0.256 115.950 115.700 -0.010 0.000 2.368 267 S HA -0.266 4.204 4.470 -0.000 0.000 0.224 267 S C 2.064 176.660 174.600 -0.007 0.000 1.029 267 S CA 1.875 60.070 58.200 -0.009 0.000 0.988 267 S CB -0.630 62.565 63.200 -0.009 0.000 0.838 267 S HN 0.535 nan 8.310 nan 0.000 0.462 268 M N 1.628 121.224 119.600 -0.006 0.000 2.159 268 M HA -0.024 4.456 4.480 -0.000 0.000 0.263 268 M C 2.288 178.585 176.300 -0.005 0.000 1.063 268 M CA 1.623 56.920 55.300 -0.005 0.000 1.110 268 M CB -0.521 32.075 32.600 -0.005 0.000 1.374 268 M HN 0.516 nan 8.290 nan 0.000 0.411 269 A N 0.458 123.275 122.820 -0.004 0.000 1.873 269 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 269 A C 1.945 179.528 177.584 -0.001 0.000 1.186 269 A CA 1.317 53.353 52.037 -0.001 0.000 0.616 269 A CB -0.930 18.071 19.000 0.002 0.000 0.823 269 A HN 0.576 nan 8.150 nan 0.000 0.442 270 L N -0.745 120.476 121.223 -0.003 0.000 2.275 270 L HA -0.100 4.240 4.340 -0.000 0.000 0.215 270 L C 1.263 178.130 176.870 -0.004 0.000 1.119 270 L CA 0.962 55.800 54.840 -0.004 0.000 0.790 270 L CB -0.335 41.720 42.059 -0.006 0.000 0.919 270 L HN 0.381 nan 8.230 nan 0.000 0.443 271 N N -1.424 117.273 118.700 -0.004 0.000 2.230 271 N HA -0.003 4.737 4.740 -0.000 0.000 0.202 271 N C 0.356 175.863 175.510 -0.004 0.000 1.119 271 N CA -0.069 52.979 53.050 -0.004 0.000 0.851 271 N CB 0.430 38.915 38.487 -0.003 0.000 0.990 271 N HN -0.028 nan 8.380 nan 0.000 0.497 272 S N 1.762 117.459 115.700 -0.005 0.000 2.537 272 S HA 0.061 4.531 4.470 -0.000 0.000 0.286 272 S C -1.326 173.270 174.600 -0.008 0.000 1.299 272 S CA -1.202 56.994 58.200 -0.006 0.000 1.067 272 S CB 0.614 63.810 63.200 -0.007 0.000 0.864 272 S HN 0.157 nan 8.310 nan 0.000 0.494 273 P HA -0.029 nan 4.420 nan 0.000 0.234 273 P C 0.948 178.238 177.300 -0.018 0.000 1.167 273 P CA 0.388 63.484 63.100 -0.007 0.000 0.763 273 P CB 0.105 31.806 31.700 0.002 0.000 0.835 274 L N -1.119 120.091 121.223 -0.022 0.000 2.395 274 L HA 0.055 4.395 4.340 -0.000 0.000 0.218 274 L C 1.965 178.820 176.870 -0.026 0.000 1.130 274 L CA 1.175 55.997 54.840 -0.031 0.000 0.826 274 L CB -0.820 41.221 42.059 -0.030 0.000 0.941 274 L HN 0.001 nan 8.230 nan 0.000 0.451 275 L N -0.126 121.086 121.223 -0.018 0.000 3.108 275 L HA 0.181 4.521 4.340 -0.000 0.000 0.251 275 L C -0.150 176.709 176.870 -0.018 0.000 1.315 275 L CA -0.150 54.681 54.840 -0.015 0.000 1.048 275 L CB 0.086 42.140 42.059 -0.007 0.000 1.432 275 L HN 0.069 nan 8.230 nan 0.000 0.543 276 D N 1.209 121.595 120.400 -0.024 0.000 2.545 276 D HA 0.245 4.885 4.640 -0.000 0.000 0.227 276 D C -0.599 175.683 176.300 -0.030 0.000 1.150 276 D CA 0.451 54.437 54.000 -0.023 0.000 1.046 276 D CB 0.289 41.075 40.800 -0.024 0.000 1.098 276 D HN 0.016 nan 8.370 nan 0.000 0.502 277 V N 2.242 122.143 119.914 -0.022 0.000 3.236 277 V HA 0.210 4.330 4.120 -0.000 0.000 0.287 277 V C -1.594 174.492 176.094 -0.012 0.000 1.491 277 V CA -1.021 61.266 62.300 -0.022 0.000 1.037 277 V CB 2.287 34.093 31.823 -0.028 0.000 1.160 277 V HN 0.176 nan 8.190 nan 0.000 0.453 278 D N 3.516 123.911 120.400 -0.008 0.000 2.312 278 D HA 0.379 5.019 4.640 -0.000 0.000 0.252 278 D C 0.952 177.253 176.300 0.000 0.000 1.150 278 D CA 0.307 54.305 54.000 -0.003 0.000 0.870 278 D CB 1.555 42.354 40.800 -0.001 0.000 1.153 278 D HN 0.675 nan 8.370 nan 0.000 0.457 279 I N -0.989 119.582 120.570 0.001 0.000 4.018 279 I HA 0.063 4.233 4.170 -0.000 0.000 0.337 279 I C 1.085 177.205 176.117 0.004 0.000 1.327 279 I CA -0.264 61.038 61.300 0.004 0.000 1.100 279 I CB 0.055 38.057 38.000 0.004 0.000 1.025 279 I HN 0.030 nan 8.210 nan 0.000 0.396 280 D N 2.062 122.464 120.400 0.003 0.000 2.263 280 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 280 D C 1.876 178.179 176.300 0.004 0.000 0.971 280 D CA 1.252 55.253 54.000 0.002 0.000 0.867 280 D CB -0.336 40.464 40.800 0.001 0.000 0.929 280 D HN 0.405 nan 8.370 nan 0.000 0.492 281 G N -0.735 108.069 108.800 0.006 0.000 3.393 281 G HA2 0.432 4.392 3.960 -0.000 0.000 0.255 281 G HA3 0.432 4.392 3.960 -0.000 0.000 0.255 281 G C 0.389 175.295 174.900 0.010 0.000 1.097 281 G CA -0.047 45.058 45.100 0.008 0.000 0.780 281 G HN 0.494 nan 8.290 nan 0.000 0.540 282 A N -0.208 122.618 122.820 0.010 0.000 2.462 282 A HA 0.468 4.788 4.320 -0.000 0.000 0.243 282 A C 1.471 179.062 177.584 0.012 0.000 1.076 282 A CA 0.748 52.793 52.037 0.013 0.000 0.773 282 A CB 0.590 19.598 19.000 0.014 0.000 1.010 282 A HN 0.148 nan 8.150 nan 0.000 0.493 283 T N 0.742 115.304 114.554 0.013 0.000 3.081 283 T HA 0.430 4.780 4.350 -0.000 0.000 0.255 283 T C 0.746 175.453 174.700 0.012 0.000 1.113 283 T CA 1.453 63.559 62.100 0.010 0.000 1.082 283 T CB -0.432 68.440 68.868 0.008 0.000 0.939 283 T HN 1.696 nan 8.240 nan 0.000 0.506 284 G N -0.425 108.385 108.800 0.017 0.000 2.342 284 G HA2 0.597 4.557 3.960 -0.000 0.000 0.297 284 G HA3 0.597 4.557 3.960 -0.000 0.000 0.297 284 G C -1.887 173.032 174.900 0.031 0.000 1.313 284 G CA -0.116 44.998 45.100 0.023 0.000 0.830 284 G HN 0.556 nan 8.290 nan 0.000 0.506 285 A N -1.045 121.801 122.820 0.043 0.000 2.589 285 A HA 0.787 5.107 4.320 -0.000 0.000 0.296 285 A C -1.896 175.734 177.584 0.077 0.000 1.062 285 A CA -0.522 51.548 52.037 0.054 0.000 0.686 285 A CB 1.557 20.586 19.000 0.049 0.000 1.282 285 A HN 1.199 nan 8.150 nan 0.000 0.404 286 L N 1.694 122.969 121.223 0.086 0.000 2.333 286 L HA 0.650 4.990 4.340 -0.000 0.000 0.280 286 L C -0.700 176.248 176.870 0.130 0.000 1.004 286 L CA 0.045 54.949 54.840 0.108 0.000 0.820 286 L CB 1.636 43.754 42.059 0.098 0.000 1.247 286 L HN 0.597 nan 8.230 nan 0.000 0.416 287 I N 2.421 123.097 120.570 0.177 0.000 2.410 287 I HA 0.303 4.473 4.170 -0.000 0.000 0.286 287 I C -0.625 175.653 176.117 0.267 0.000 1.009 287 I CA -0.467 60.952 61.300 0.198 0.000 1.111 287 I CB 1.443 39.554 38.000 0.185 0.000 1.262 287 I HN 0.624 nan 8.210 nan 0.000 0.443 288 H N 6.182 125.320 119.070 0.113 0.000 2.685 288 H HA 0.524 5.080 4.556 -0.000 0.000 0.307 288 H C -1.320 174.062 175.328 0.090 0.000 1.017 288 H CA -0.787 55.322 56.048 0.102 0.000 1.237 288 H CB 1.306 31.107 29.762 0.064 0.000 1.409 288 H HN 0.323 nan 8.280 nan 0.000 0.488 289 V N 7.316 127.438 119.914 0.347 0.000 2.407 289 V HA 0.229 4.349 4.120 -0.000 0.000 0.278 289 V C 0.044 176.199 176.094 0.102 0.000 1.037 289 V CA -0.216 62.182 62.300 0.164 0.000 0.900 289 V CB 1.122 33.051 31.823 0.176 0.000 0.983 289 V HN 0.798 nan 8.190 nan 0.000 0.459 290 M N 4.001 123.572 119.600 -0.048 0.000 2.393 290 M HA 0.821 5.301 4.480 -0.000 0.000 0.316 290 M C 0.257 176.542 176.300 -0.025 0.000 1.087 290 M CA -0.128 55.125 55.300 -0.078 0.000 0.937 290 M CB 2.402 34.869 32.600 -0.221 0.000 1.668 290 M HN 0.792 nan 8.290 nan 0.000 0.438 291 G N 1.688 110.488 108.800 0.000 0.000 2.645 291 G HA2 0.756 4.716 3.960 -0.000 0.000 0.292 291 G HA3 0.756 4.716 3.960 -0.000 0.000 0.292 291 G C -3.409 171.496 174.900 0.008 0.000 1.415 291 G CA -0.983 44.120 45.100 0.005 0.000 0.785 291 G HN 0.368 nan 8.290 nan 0.000 0.483 292 P HA 0.266 nan 4.420 nan 0.000 0.297 292 P C 0.193 177.501 177.300 0.014 0.000 1.303 292 P CA -0.072 63.032 63.100 0.008 0.000 0.753 292 P CB 1.391 33.094 31.700 0.005 0.000 1.281 293 E N 0.034 120.241 120.200 0.012 0.000 2.171 293 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 293 E C 1.121 177.731 176.600 0.017 0.000 0.997 293 E CA 1.932 58.340 56.400 0.014 0.000 0.810 293 E CB -0.745 28.962 29.700 0.011 0.000 0.738 293 E HN 0.558 nan 8.360 nan 0.000 0.467 294 D N 0.130 120.540 120.400 0.016 0.000 2.319 294 D HA -0.029 4.611 4.640 -0.000 0.000 0.230 294 D C 0.251 176.565 176.300 0.023 0.000 1.094 294 D CA -0.321 53.689 54.000 0.017 0.000 0.856 294 D CB -0.411 40.397 40.800 0.014 0.000 0.915 294 D HN 0.081 nan 8.370 nan 0.000 0.517 295 L N 2.121 123.361 121.223 0.027 0.000 2.499 295 L HA 0.230 4.570 4.340 -0.000 0.000 0.273 295 L C 0.264 177.161 176.870 0.045 0.000 1.195 295 L CA 0.424 55.287 54.840 0.037 0.000 0.882 295 L CB 0.531 42.616 42.059 0.045 0.000 1.133 295 L HN 0.193 nan 8.230 nan 0.000 0.483 296 T N 1.805 116.389 114.554 0.049 0.000 2.942 296 T HA 0.413 4.763 4.350 -0.000 0.000 0.289 296 T C 0.830 175.579 174.700 0.081 0.000 1.044 296 T CA -0.858 61.275 62.100 0.056 0.000 1.023 296 T CB 1.098 69.990 68.868 0.041 0.000 1.123 296 T HN 0.441 nan 8.240 nan 0.000 0.512 297 L N 0.714 121.994 121.223 0.095 0.000 2.291 297 L HA 0.119 4.459 4.340 -0.000 0.000 0.214 297 L C 2.640 179.566 176.870 0.094 0.000 1.120 297 L CA 1.352 56.278 54.840 0.144 0.000 0.799 297 L CB -0.950 41.203 42.059 0.157 0.000 0.925 297 L HN 0.709 nan 8.230 nan 0.000 0.446 298 E N 0.004 120.236 120.200 0.053 0.000 2.051 298 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 298 E C 2.015 178.614 176.600 -0.002 0.000 0.991 298 E CA 1.222 57.634 56.400 0.019 0.000 0.799 298 E CB -0.062 29.647 29.700 0.015 0.000 0.748 298 E HN 0.584 nan 8.360 nan 0.000 0.449 299 E N 0.928 121.136 120.200 0.013 0.000 2.051 299 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 299 E C 2.097 178.692 176.600 -0.009 0.000 0.991 299 E CA 1.050 57.452 56.400 0.003 0.000 0.799 299 E CB -0.170 29.541 29.700 0.019 0.000 0.748 299 E HN 0.193 nan 8.360 nan 0.000 0.449 300 A N 1.622 124.460 122.820 0.029 0.000 1.908 300 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 300 A C 2.139 179.603 177.584 -0.200 0.000 1.181 300 A CA 1.633 53.689 52.037 0.032 0.000 0.627 300 A CB -0.490 18.670 19.000 0.265 0.000 0.818 300 A HN 0.069 nan 8.150 nan 0.000 0.445 301 R N -0.552 119.810 120.500 -0.231 0.000 2.096 301 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 301 R C 2.214 178.359 176.300 -0.258 0.000 1.127 301 R CA 1.621 57.497 56.100 -0.373 0.000 0.968 301 R CB -0.211 29.968 30.300 -0.202 0.000 0.861 301 R HN 0.761 nan 8.270 nan 0.000 0.440 302 E N -0.350 119.762 120.200 -0.147 0.000 2.106 302 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 302 E C 1.735 178.266 176.600 -0.116 0.000 0.984 302 E CA 1.232 57.567 56.400 -0.107 0.000 0.806 302 E CB 0.183 29.846 29.700 -0.062 0.000 0.750 302 E HN 0.158 nan 8.360 nan 0.000 0.458 303 V N 0.436 120.278 119.914 -0.120 0.000 2.261 303 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 303 V C 2.421 178.429 176.094 -0.143 0.000 1.047 303 V CA 1.586 63.828 62.300 -0.098 0.000 1.015 303 V CB -0.404 31.385 31.823 -0.057 0.000 0.642 303 V HN 0.218 nan 8.190 nan 0.000 0.446 304 V N 0.388 120.143 119.914 -0.266 0.000 2.332 304 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 304 V C 2.716 178.670 176.094 -0.232 0.000 1.055 304 V CA 2.095 64.193 62.300 -0.336 0.000 1.038 304 V CB -1.264 30.104 31.823 -0.759 0.000 0.651 304 V HN 0.567 nan 8.190 nan 0.000 0.450 305 A N -0.172 122.518 122.820 -0.217 0.000 1.902 305 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 305 A C 2.405 179.932 177.584 -0.094 0.000 1.181 305 A CA 2.560 54.513 52.037 -0.141 0.000 0.623 305 A CB -1.009 17.919 19.000 -0.121 0.000 0.818 305 A HN 0.515 nan 8.150 nan 0.000 0.443 306 T N -0.436 114.066 114.554 -0.086 0.000 2.746 306 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 306 T C 1.868 176.540 174.700 -0.048 0.000 1.039 306 T CA 1.607 63.673 62.100 -0.057 0.000 1.142 306 T CB -0.382 68.456 68.868 -0.049 0.000 0.866 306 T HN 0.165 nan 8.240 nan 0.000 0.444 307 V N 1.212 121.094 119.914 -0.054 0.000 2.379 307 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 307 V C 2.718 178.792 176.094 -0.033 0.000 1.044 307 V CA 1.752 64.031 62.300 -0.035 0.000 1.036 307 V CB -0.864 30.942 31.823 -0.028 0.000 0.664 307 V HN 0.512 nan 8.190 nan 0.000 0.453 308 S N 1.208 116.877 115.700 -0.050 0.000 2.380 308 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 308 S C 2.156 176.739 174.600 -0.029 0.000 1.043 308 S CA 2.430 60.605 58.200 -0.041 0.000 1.038 308 S CB -0.446 62.717 63.200 -0.062 0.000 0.872 308 S HN 0.825 nan 8.310 nan 0.000 0.456 309 S N 0.317 115.999 115.700 -0.031 0.000 2.515 309 S HA 0.156 4.626 4.470 -0.000 0.000 0.231 309 S C 1.671 176.262 174.600 -0.016 0.000 0.987 309 S CA -0.026 58.160 58.200 -0.023 0.000 0.936 309 S CB -0.242 62.943 63.200 -0.025 0.000 0.766 309 S HN 0.423 nan 8.310 nan 0.000 0.528 310 R N 0.623 121.114 120.500 -0.015 0.000 2.246 310 R HA 0.426 4.766 4.340 -0.000 0.000 0.199 310 R C 0.591 176.888 176.300 -0.006 0.000 0.984 310 R CA 0.106 56.200 56.100 -0.010 0.000 1.015 310 R CB -0.572 29.723 30.300 -0.010 0.000 0.930 310 R HN 0.448 nan 8.270 nan 0.000 0.475 311 L N 0.348 121.568 121.223 -0.006 0.000 2.400 311 L HA 0.290 4.630 4.340 -0.000 0.000 0.264 311 L C 0.148 177.018 176.870 -0.001 0.000 1.061 311 L CA -1.047 53.792 54.840 -0.001 0.000 0.799 311 L CB 0.687 42.748 42.059 0.002 0.000 1.240 311 L HN -0.117 nan 8.230 nan 0.000 0.461 312 D N 1.318 121.719 120.400 0.002 0.000 2.425 312 D HA 0.043 4.683 4.640 -0.000 0.000 0.247 312 D C -1.404 174.897 176.300 0.003 0.000 1.147 312 D CA -1.025 52.976 54.000 0.002 0.000 0.879 312 D CB 1.015 41.818 40.800 0.004 0.000 1.179 312 D HN 0.237 nan 8.370 nan 0.000 0.456 313 P HA -0.181 nan 4.420 nan 0.000 0.222 313 P C 0.164 177.467 177.300 0.005 0.000 1.142 313 P CA 1.238 64.340 63.100 0.002 0.000 0.788 313 P CB 0.129 31.830 31.700 0.001 0.000 0.767 314 N N -0.382 118.322 118.700 0.006 0.000 2.446 314 N HA 0.095 4.835 4.740 -0.000 0.000 0.179 314 N C 0.769 176.285 175.510 0.009 0.000 1.054 314 N CA -0.317 52.737 53.050 0.007 0.000 0.905 314 N CB -0.031 38.459 38.487 0.005 0.000 0.973 314 N HN 0.114 nan 8.380 nan 0.000 0.448 315 A N 1.222 124.048 122.820 0.010 0.000 2.483 315 A HA 0.150 4.470 4.320 -0.000 0.000 0.238 315 A C 0.228 177.823 177.584 0.019 0.000 1.070 315 A CA 0.317 52.362 52.037 0.013 0.000 0.770 315 A CB 0.206 19.214 19.000 0.013 0.000 1.008 315 A HN 0.042 nan 8.150 nan 0.000 0.497 316 T N 2.830 117.397 114.554 0.022 0.000 2.771 316 T HA 0.502 4.852 4.350 -0.000 0.000 0.291 316 T C -0.103 174.626 174.700 0.047 0.000 0.954 316 T CA 0.265 62.383 62.100 0.031 0.000 1.045 316 T CB 0.118 68.997 68.868 0.019 0.000 0.917 316 T HN 0.400 nan 8.240 nan 0.000 0.484 317 I N 4.125 124.739 120.570 0.074 0.000 2.362 317 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 317 I C -0.252 175.977 176.117 0.187 0.000 0.994 317 I CA -0.817 60.550 61.300 0.112 0.000 1.158 317 I CB 1.513 39.572 38.000 0.098 0.000 1.315 317 I HN 0.525 nan 8.210 nan 0.000 0.451 318 I N 7.520 128.195 120.570 0.176 0.000 2.404 318 I HA 0.561 4.731 4.170 -0.000 0.000 0.293 318 I C -1.453 174.820 176.117 0.260 0.000 0.992 318 I CA -0.341 61.056 61.300 0.162 0.000 1.149 318 I CB 1.329 39.363 38.000 0.056 0.000 1.315 318 I HN 0.741 nan 8.210 nan 0.000 0.446 319 W N 6.159 127.463 121.300 0.006 0.000 3.167 319 W HA 0.830 5.490 4.660 0.000 0.000 0.324 319 W C -1.235 175.283 176.519 -0.001 0.000 1.230 319 W CA -1.316 56.036 57.345 0.011 0.000 1.184 319 W CB 0.793 30.266 29.460 0.023 0.000 1.414 319 W HN 0.758 nan 8.180 nan 0.000 0.551 320 G N -0.008 108.861 108.800 0.115 0.000 2.695 320 G HA2 0.829 4.789 3.960 -0.000 0.000 0.290 320 G HA3 0.829 4.789 3.960 -0.000 0.000 0.290 320 G C -2.161 172.858 174.900 0.198 0.000 1.410 320 G CA -0.508 44.550 45.100 -0.070 0.000 0.844 320 G HN 1.079 nan 8.290 nan 0.000 0.478 321 A N 0.194 123.095 122.820 0.136 0.000 2.429 321 A HA 0.864 5.184 4.320 -0.000 0.000 0.289 321 A C -0.157 177.521 177.584 0.157 0.000 1.043 321 A CA 0.010 52.181 52.037 0.222 0.000 0.722 321 A CB 1.347 20.489 19.000 0.237 0.000 1.243 321 A HN 1.723 nan 8.150 nan 0.000 0.415 322 T N -0.793 113.885 114.554 0.207 0.000 2.916 322 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 322 T C -0.643 174.112 174.700 0.091 0.000 1.055 322 T CA -0.609 61.580 62.100 0.150 0.000 1.009 322 T CB 1.060 70.065 68.868 0.228 0.000 1.118 322 T HN 0.312 nan 8.240 nan 0.000 0.497 323 I N 2.279 122.885 120.570 0.060 0.000 2.331 323 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 323 I C -0.356 175.774 176.117 0.023 0.000 0.998 323 I CA -0.220 61.101 61.300 0.035 0.000 1.267 323 I CB 1.270 39.287 38.000 0.028 0.000 1.386 323 I HN 0.773 nan 8.210 nan 0.000 0.476 324 D N 5.125 125.531 120.400 0.009 0.000 2.440 324 D HA 0.232 4.872 4.640 -0.000 0.000 0.252 324 D C 0.784 177.083 176.300 -0.001 0.000 1.180 324 D CA -0.296 53.703 54.000 -0.000 0.000 0.894 324 D CB 0.892 41.682 40.800 -0.016 0.000 1.111 324 D HN 0.543 nan 8.370 nan 0.000 0.544 325 E N 1.943 122.144 120.200 0.001 0.000 2.130 325 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 325 E C 0.635 177.233 176.600 -0.002 0.000 0.998 325 E CA 0.927 57.327 56.400 0.001 0.000 0.806 325 E CB -0.019 29.682 29.700 0.001 0.000 0.738 325 E HN 0.607 nan 8.360 nan 0.000 0.459 326 N N 0.312 119.009 118.700 -0.005 0.000 2.567 326 N HA -0.070 4.669 4.740 -0.000 0.000 0.195 326 N C 0.770 176.274 175.510 -0.009 0.000 1.242 326 N CA -0.329 52.717 53.050 -0.006 0.000 0.884 326 N CB 0.200 38.682 38.487 -0.008 0.000 1.007 326 N HN 0.007 nan 8.380 nan 0.000 0.450 327 L N 0.574 121.792 121.223 -0.009 0.000 2.513 327 L HA 0.123 4.463 4.340 -0.000 0.000 0.222 327 L C 1.101 177.968 176.870 -0.006 0.000 1.096 327 L CA 0.839 55.672 54.840 -0.010 0.000 0.857 327 L CB -0.329 41.722 42.059 -0.013 0.000 1.026 327 L HN 0.102 nan 8.230 nan 0.000 0.469 328 E N 0.168 120.366 120.200 -0.004 0.000 3.679 328 E HA -0.391 3.959 4.350 -0.000 0.000 0.309 328 E C 0.333 176.933 176.600 -0.000 0.000 1.318 328 E CA 1.950 58.349 56.400 -0.002 0.000 1.822 328 E CB -1.156 28.543 29.700 -0.002 0.000 1.689 328 E HN 0.623 nan 8.360 nan 0.000 0.355 329 N N 0.058 118.757 118.700 -0.001 0.000 2.307 329 N HA 0.188 4.928 4.740 -0.000 0.000 0.248 329 N C -1.103 174.406 175.510 -0.001 0.000 1.322 329 N CA 0.030 53.080 53.050 -0.000 0.000 0.861 329 N CB 1.352 39.840 38.487 0.000 0.000 1.303 329 N HN 0.001 nan 8.380 nan 0.000 0.498 330 T N 0.488 115.040 114.554 -0.004 0.000 2.794 330 T HA 0.457 4.807 4.350 -0.000 0.000 0.280 330 T C -0.487 174.208 174.700 -0.008 0.000 0.987 330 T CA -0.479 61.617 62.100 -0.006 0.000 0.993 330 T CB 2.061 70.924 68.868 -0.009 0.000 0.939 330 T HN -0.113 nan 8.240 nan 0.000 0.449 331 V N 4.157 124.067 119.914 -0.007 0.000 2.481 331 V HA 0.535 4.655 4.120 -0.000 0.000 0.286 331 V C 0.300 176.384 176.094 -0.015 0.000 1.042 331 V CA -0.695 61.600 62.300 -0.007 0.000 0.928 331 V CB 1.481 33.305 31.823 0.002 0.000 0.986 331 V HN 0.683 nan 8.190 nan 0.000 0.462 332 R N 3.464 123.947 120.500 -0.028 0.000 2.562 332 R HA 0.773 5.113 4.340 -0.000 0.000 0.298 332 R C -1.885 174.391 176.300 -0.040 0.000 0.961 332 R CA -0.454 55.622 56.100 -0.039 0.000 0.881 332 R CB 2.033 32.296 30.300 -0.061 0.000 1.159 332 R HN 0.508 nan 8.270 nan 0.000 0.450 333 V N 5.625 125.525 119.914 -0.023 0.000 2.487 333 V HA 0.382 4.502 4.120 -0.000 0.000 0.298 333 V C -0.935 175.160 176.094 0.001 0.000 1.028 333 V CA -0.885 61.414 62.300 -0.003 0.000 0.860 333 V CB 1.550 33.380 31.823 0.011 0.000 0.991 333 V HN 0.623 nan 8.190 nan 0.000 0.427 334 L N 6.369 127.605 121.223 0.021 0.000 2.313 334 L HA 0.740 5.080 4.340 -0.000 0.000 0.283 334 L C -1.132 175.782 176.870 0.074 0.000 1.013 334 L CA -0.092 54.771 54.840 0.039 0.000 0.816 334 L CB 1.379 43.464 42.059 0.044 0.000 1.236 334 L HN 0.497 nan 8.230 nan 0.000 0.419 335 L N 5.544 126.800 121.223 0.055 0.000 2.346 335 L HA 0.703 5.043 4.340 -0.000 0.000 0.276 335 L C -0.866 176.038 176.870 0.056 0.000 1.006 335 L CA -0.388 54.487 54.840 0.057 0.000 0.817 335 L CB 2.245 44.326 42.059 0.036 0.000 1.272 335 L HN 0.373 nan 8.230 nan 0.000 0.421 336 V N 5.016 124.969 119.914 0.065 0.000 2.445 336 V HA 0.418 4.538 4.120 -0.000 0.000 0.283 336 V C -0.531 175.595 176.094 0.052 0.000 1.014 336 V CA -0.565 61.772 62.300 0.062 0.000 0.852 336 V CB 1.616 33.488 31.823 0.082 0.000 1.021 336 V HN 0.404 nan 8.190 nan 0.000 0.435 337 I N 4.453 125.047 120.570 0.039 0.000 2.331 337 I HA 0.444 4.613 4.170 -0.000 0.000 0.292 337 I C 0.849 176.985 176.117 0.030 0.000 0.998 337 I CA 0.088 61.407 61.300 0.031 0.000 1.267 337 I CB 1.572 39.586 38.000 0.022 0.000 1.386 337 I HN 0.700 nan 8.210 nan 0.000 0.476 338 T N 0.639 115.210 114.554 0.029 0.000 2.943 338 T HA 0.632 4.982 4.350 -0.000 0.000 0.284 338 T C 0.834 175.548 174.700 0.023 0.000 1.015 338 T CA -0.109 62.007 62.100 0.026 0.000 1.042 338 T CB 1.730 70.611 68.868 0.022 0.000 1.055 338 T HN 1.097 nan 8.240 nan 0.000 0.500 339 G N 0.225 109.040 108.800 0.025 0.000 2.246 339 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.273 339 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.273 339 G C 0.443 175.361 174.900 0.031 0.000 1.055 339 G CA 0.338 45.453 45.100 0.025 0.000 0.851 339 G HN 1.926 nan 8.290 nan 0.000 0.500 340 V N -1.893 118.044 119.914 0.038 0.000 3.542 340 V HA 0.214 4.334 4.120 -0.000 0.000 0.296 340 V C 2.222 178.352 176.094 0.060 0.000 1.364 340 V CA 1.140 63.462 62.300 0.037 0.000 1.118 340 V CB 0.502 32.337 31.823 0.021 0.000 0.972 340 V HN 0.591 nan 8.190 nan 0.000 0.430 341 Q N 2.902 122.759 119.800 0.094 0.000 2.112 341 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 341 Q C 2.136 178.232 176.000 0.160 0.000 0.987 341 Q CA 2.596 58.504 55.803 0.175 0.000 0.858 341 Q CB -1.278 27.554 28.738 0.157 0.000 0.905 341 Q HN 0.834 nan 8.270 nan 0.000 0.420 342 S N 0.114 115.868 115.700 0.091 0.000 2.474 342 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 342 S C 1.533 176.169 174.600 0.060 0.000 0.997 342 S CA 0.712 58.955 58.200 0.071 0.000 0.949 342 S CB 0.007 63.232 63.200 0.041 0.000 0.766 342 S HN 0.243 nan 8.310 nan 0.000 0.517 343 R N 0.242 120.772 120.500 0.049 0.000 2.427 343 R HA 0.557 4.897 4.340 -0.000 0.000 0.262 343 R C -0.552 175.752 176.300 0.007 0.000 0.943 343 R CA 0.015 56.130 56.100 0.024 0.000 1.081 343 R CB 0.034 30.341 30.300 0.012 0.000 1.166 343 R HN 0.472 nan 8.270 nan 0.000 0.534 344 I N 0.112 120.696 120.570 0.022 0.000 2.582 344 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 344 I C -0.529 175.580 176.117 -0.015 0.000 1.066 344 I CA -0.800 60.460 61.300 -0.066 0.000 1.053 344 I CB 2.749 40.627 38.000 -0.203 0.000 1.241 344 I HN -0.006 nan 8.210 nan 0.000 0.421 345 E N 5.210 125.367 120.200 -0.072 0.000 2.175 345 E HA 0.398 4.748 4.350 -0.000 0.000 0.278 345 E C -1.503 175.058 176.600 -0.064 0.000 0.969 345 E CA -0.653 55.777 56.400 0.050 0.000 0.796 345 E CB 1.741 31.464 29.700 0.038 0.000 1.104 345 E HN 0.225 nan 8.360 nan 0.000 0.395 346 F N 2.117 122.068 119.950 0.002 0.000 2.371 346 F HA 0.200 4.727 4.527 -0.000 0.000 0.363 346 F C 1.037 176.841 175.800 0.005 0.000 1.122 346 F CA -0.453 57.549 58.000 0.003 0.000 1.129 346 F CB 0.971 39.972 39.000 0.001 0.000 1.173 346 F HN 0.293 nan 8.300 nan 0.000 0.489 347 T N -1.940 112.671 114.554 0.095 0.000 2.807 347 T HA 0.328 4.678 4.350 -0.000 0.000 0.277 347 T C 0.654 175.390 174.700 0.060 0.000 1.006 347 T CA -0.768 61.375 62.100 0.070 0.000 1.006 347 T CB 1.484 70.373 68.868 0.035 0.000 1.274 347 T HN 0.280 nan 8.240 nan 0.000 0.569 348 D N 0.752 121.181 120.400 0.048 0.000 2.312 348 D HA 0.042 4.682 4.640 -0.000 0.000 0.211 348 D C 1.763 178.087 176.300 0.039 0.000 0.964 348 D CA 1.574 55.601 54.000 0.044 0.000 0.877 348 D CB -0.207 40.616 40.800 0.038 0.000 0.924 348 D HN 0.808 nan 8.370 nan 0.000 0.515 349 T N -2.915 111.657 114.554 0.031 0.000 3.176 349 T HA 0.532 4.882 4.350 -0.000 0.000 0.263 349 T C 0.988 175.699 174.700 0.017 0.000 1.021 349 T CA 0.088 62.205 62.100 0.029 0.000 0.905 349 T CB 0.824 69.708 68.868 0.026 0.000 1.057 349 T HN 0.208 nan 8.240 nan 0.000 0.558 350 G N 1.691 110.497 108.800 0.010 0.000 2.418 350 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.206 350 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.206 350 G C -1.080 173.773 174.900 -0.078 0.000 1.202 350 G CA -0.712 44.376 45.100 -0.022 0.000 1.061 350 G HN 0.526 nan 8.290 nan 0.000 0.563 351 L N 0.711 121.852 121.223 -0.136 0.000 2.350 351 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 351 L C 0.573 177.354 176.870 -0.149 0.000 1.099 351 L CA -0.367 54.332 54.840 -0.236 0.000 0.808 351 L CB 1.271 43.160 42.059 -0.283 0.000 1.149 351 L HN 0.490 nan 8.230 nan 0.000 0.442 352 K N 2.548 122.856 120.400 -0.153 0.000 2.422 352 K HA 0.461 4.781 4.320 -0.000 0.000 0.251 352 K C -0.952 175.597 176.600 -0.084 0.000 0.933 352 K CA -0.996 55.239 56.287 -0.086 0.000 0.798 352 K CB 2.504 34.975 32.500 -0.048 0.000 1.238 352 K HN 0.479 nan 8.250 nan 0.000 0.428 353 R N 1.944 122.411 120.500 -0.055 0.000 2.449 353 R HA 0.059 4.399 4.340 -0.000 0.000 0.296 353 R C 0.088 176.373 176.300 -0.025 0.000 1.047 353 R CA -0.074 56.001 56.100 -0.042 0.000 1.018 353 R CB 0.403 30.686 30.300 -0.028 0.000 0.962 353 R HN 0.109 nan 8.270 nan 0.000 0.428 354 K N 3.853 124.243 120.400 -0.018 0.000 2.312 354 K HA 0.018 4.338 4.320 -0.000 0.000 0.287 354 K C -0.054 176.547 176.600 0.001 0.000 1.062 354 K CA -0.113 56.174 56.287 0.000 0.000 0.934 354 K CB 0.877 33.386 32.500 0.014 0.000 1.027 354 K HN 0.393 nan 8.250 nan 0.000 0.478 355 K N 5.291 125.693 120.400 0.002 0.000 2.258 355 K HA 0.087 4.407 4.320 -0.000 0.000 0.284 355 K C -0.055 176.549 176.600 0.005 0.000 1.051 355 K CA -0.113 56.175 56.287 0.002 0.000 0.923 355 K CB 0.883 33.384 32.500 0.002 0.000 1.046 355 K HN 0.334 nan 8.250 nan 0.000 0.474 356 L N 3.116 124.342 121.223 0.005 0.000 2.541 356 L HA 0.299 4.639 4.340 -0.000 0.000 0.187 356 L C 0.917 177.790 176.870 0.005 0.000 1.098 356 L CA 1.712 56.555 54.840 0.006 0.000 0.846 356 L CB -0.415 41.648 42.059 0.007 0.000 1.151 356 L HN 0.915 nan 8.230 nan 0.000 0.492 357 E N 0.000 120.202 120.200 0.003 0.000 2.725 357 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 357 E CA 0.000 nan 56.400 nan 0.000 0.976 357 E CB 0.000 nan 29.700 nan 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440