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 2f6a_1_C DATA FIRST_RESID 31 DATA SEQUENCE RDISSTNVTD LTVSPSKIED GGKTTVKMTF DDKNGKIQNG DMIKVAWPTS DATA SEQUENCE GTVKIEGYSK TVPLTVKGEQ VGQAVITPDG ATITFNDKVE KLSDVSGFAE DATA SEQUENCE FEVQGRNLTQ TNTSDDKVAT ITSGNKSTNV TVHKSEAGTS SVFYYKTGDM DATA SEQUENCE LPEDTTHVRW FLNINNEKSY VSKDITIKDQ IQGGQQLDLS TLNINVTGTH DATA SEQUENCE SNYYSGQSAI TDFEKAFPGS KITVDNTKNT IDVTIPQGYG SYNSFSINYK DATA SEQUENCE TKITNEQQKE FVNNSQAWYQ EHGKEEVNGK SFNHTVHNIN ANAGIEGTV 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 31 R HA 0.000 nan 4.340 nan 0.000 0.208 31 R C 0.000 176.298 176.300 -0.003 0.000 0.893 31 R CA 0.000 56.097 56.100 -0.004 0.000 0.921 31 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 32 D N 5.530 125.926 120.400 -0.007 0.000 2.316 32 D HA 0.184 4.824 4.640 -0.001 0.000 0.245 32 D C 0.862 177.157 176.300 -0.007 0.000 1.171 32 D CA -0.238 53.758 54.000 -0.007 0.000 0.856 32 D CB 0.895 41.688 40.800 -0.012 0.000 1.090 32 D HN 0.616 nan 8.370 nan 0.000 0.476 33 I N 0.612 121.179 120.570 -0.005 0.000 3.833 33 I HA 0.163 4.333 4.170 -0.001 0.000 0.328 33 I C 1.111 177.228 176.117 0.000 0.000 1.554 33 I CA -0.511 60.782 61.300 -0.013 0.000 1.116 33 I CB 0.566 38.541 38.000 -0.042 0.000 1.182 33 I HN -0.033 nan 8.210 nan 0.000 0.459 34 S N 1.579 117.285 115.700 0.010 0.000 2.382 34 S HA -0.176 4.294 4.470 -0.001 0.000 0.228 34 S C 2.171 176.791 174.600 0.034 0.000 1.027 34 S CA 1.885 60.101 58.200 0.026 0.000 0.991 34 S CB -0.333 62.879 63.200 0.020 0.000 0.823 34 S HN 0.799 nan 8.310 nan 0.000 0.469 35 S N 1.587 117.300 115.700 0.022 0.000 2.428 35 S HA -0.074 4.396 4.470 -0.001 0.000 0.230 35 S C 1.628 176.244 174.600 0.026 0.000 1.014 35 S CA 1.271 59.485 58.200 0.023 0.000 0.957 35 S CB -0.724 62.484 63.200 0.013 0.000 0.784 35 S HN 0.658 nan 8.310 nan 0.000 0.499 36 T N -2.300 112.267 114.554 0.023 0.000 3.129 36 T HA 0.403 4.753 4.350 -0.001 0.000 0.267 36 T C 0.818 175.538 174.700 0.033 0.000 1.018 36 T CA -0.538 61.575 62.100 0.022 0.000 0.903 36 T CB -0.020 68.854 68.868 0.009 0.000 1.067 36 T HN 0.337 nan 8.240 nan 0.000 0.549 37 N N 0.286 119.019 118.700 0.054 0.000 2.272 37 N HA 0.155 4.895 4.740 -0.001 0.000 0.228 37 N C -0.292 175.312 175.510 0.158 0.000 1.206 37 N CA 0.064 53.169 53.050 0.093 0.000 0.855 37 N CB 1.414 39.941 38.487 0.066 0.000 1.248 37 N HN 0.174 nan 8.380 nan 0.000 0.476 38 V N 2.790 122.789 119.914 0.141 0.000 2.485 38 V HA -0.008 4.112 4.120 -0.001 0.000 0.287 38 V C 1.410 177.578 176.094 0.123 0.000 1.022 38 V CA 0.816 63.215 62.300 0.165 0.000 1.067 38 V CB 1.006 32.909 31.823 0.133 0.000 0.967 38 V HN 0.277 nan 8.190 nan 0.000 0.479 39 T N 3.087 117.718 114.554 0.128 0.000 2.852 39 T HA 0.026 4.376 4.350 -0.001 0.000 0.256 39 T C 0.389 175.128 174.700 0.065 0.000 1.038 39 T CA 0.802 62.950 62.100 0.080 0.000 1.141 39 T CB 0.026 68.929 68.868 0.059 0.000 0.869 39 T HN 0.763 nan 8.240 nan 0.000 0.439 40 D N -0.494 119.952 120.400 0.076 0.000 2.927 40 D HA 0.453 5.093 4.640 -0.001 0.000 0.219 40 D C -1.963 174.381 176.300 0.073 0.000 1.248 40 D CA -0.638 53.398 54.000 0.060 0.000 0.861 40 D CB 1.409 42.231 40.800 0.037 0.000 1.677 40 D HN -0.018 nan 8.370 nan 0.000 0.511 41 L N 2.939 124.199 121.223 0.063 0.000 2.296 41 L HA 0.759 5.098 4.340 -0.001 0.000 0.286 41 L C -0.930 175.962 176.870 0.037 0.000 1.023 41 L CA 0.168 55.045 54.840 0.062 0.000 0.812 41 L CB 1.754 43.857 42.059 0.073 0.000 1.223 41 L HN 0.500 nan 8.230 nan 0.000 0.421 42 T N 3.775 118.341 114.554 0.020 0.000 2.876 42 T HA 0.662 5.012 4.350 -0.001 0.000 0.289 42 T C -1.004 173.683 174.700 -0.022 0.000 1.014 42 T CA -0.541 61.560 62.100 0.001 0.000 0.986 42 T CB 1.894 70.760 68.868 -0.003 0.000 1.021 42 T HN 0.307 nan 8.240 nan 0.000 0.458 43 V N 2.055 121.958 119.914 -0.019 0.000 2.540 43 V HA 0.417 4.536 4.120 -0.001 0.000 0.302 43 V C 1.060 177.135 176.094 -0.031 0.000 1.035 43 V CA -0.296 61.985 62.300 -0.032 0.000 0.873 43 V CB 1.907 33.720 31.823 -0.018 0.000 0.992 43 V HN 1.046 nan 8.190 nan 0.000 0.428 44 S N 5.509 121.185 115.700 -0.040 0.000 2.341 44 S HA 0.126 4.596 4.470 -0.001 0.000 0.204 44 S C -1.606 172.975 174.600 -0.031 0.000 1.038 44 S CA 0.719 58.899 58.200 -0.035 0.000 1.013 44 S CB -0.440 62.737 63.200 -0.038 0.000 0.994 44 S HN 0.725 nan 8.310 nan 0.000 0.430 45 P HA 0.349 nan 4.420 nan 0.000 0.287 45 P C -0.101 177.184 177.300 -0.024 0.000 1.307 45 P CA -0.001 63.081 63.100 -0.030 0.000 0.777 45 P CB 1.358 33.036 31.700 -0.036 0.000 0.883 46 S N 3.238 118.927 115.700 -0.019 0.000 2.371 46 S HA -0.022 4.448 4.470 -0.001 0.000 0.224 46 S C 0.583 175.178 174.600 -0.008 0.000 1.029 46 S CA 1.032 59.225 58.200 -0.012 0.000 0.978 46 S CB -0.127 63.067 63.200 -0.009 0.000 0.833 46 S HN 0.339 nan 8.310 nan 0.000 0.466 47 K N 1.441 121.833 120.400 -0.012 0.000 2.358 47 K HA 0.546 4.866 4.320 -0.001 0.000 0.260 47 K C -0.653 175.939 176.600 -0.014 0.000 0.956 47 K CA -0.421 55.861 56.287 -0.008 0.000 0.834 47 K CB 1.654 34.146 32.500 -0.013 0.000 1.102 47 K HN 0.401 nan 8.250 nan 0.000 0.431 48 I N -1.802 118.767 120.570 -0.001 0.000 3.174 48 I HA 0.488 4.658 4.170 -0.001 0.000 0.313 48 I C -0.367 175.768 176.117 0.029 0.000 1.155 48 I CA -1.185 60.113 61.300 -0.003 0.000 0.977 48 I CB 1.786 39.779 38.000 -0.010 0.000 1.248 48 I HN 0.245 nan 8.210 nan 0.000 0.453 49 E N 1.073 121.288 120.200 0.025 0.000 2.280 49 E HA 0.168 4.518 4.350 -0.001 0.000 0.261 49 E C -1.196 175.433 176.600 0.048 0.000 1.088 49 E CA -0.544 55.895 56.400 0.066 0.000 0.915 49 E CB 1.026 30.755 29.700 0.048 0.000 1.141 49 E HN 0.586 nan 8.360 nan 0.000 0.433 50 D N -0.162 120.270 120.400 0.052 0.000 2.357 50 D HA 0.212 4.852 4.640 -0.001 0.000 0.265 50 D C 0.684 176.991 176.300 0.011 0.000 1.334 50 D CA 0.948 54.958 54.000 0.016 0.000 0.984 50 D CB -0.430 40.369 40.800 -0.001 0.000 1.077 50 D HN 0.615 nan 8.370 nan 0.000 0.514 51 G N 2.292 111.097 108.800 0.007 0.000 2.227 51 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.168 51 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.168 51 G C 0.648 175.568 174.900 0.035 0.000 1.006 51 G CA -0.160 44.950 45.100 0.017 0.000 0.684 51 G HN 0.804 nan 8.290 nan 0.000 0.489 52 G N 0.438 109.249 108.800 0.020 0.000 2.562 52 G HA2 0.563 4.523 3.960 -0.001 0.000 0.275 52 G HA3 0.563 4.523 3.960 -0.001 0.000 0.275 52 G C 0.189 175.105 174.900 0.027 0.000 1.196 52 G CA 0.173 45.277 45.100 0.008 0.000 0.908 52 G HN 0.633 nan 8.290 nan 0.000 0.524 53 K N -0.535 119.871 120.400 0.009 0.000 2.118 53 K HA 0.661 4.981 4.320 -0.001 0.000 0.254 53 K C -1.212 175.386 176.600 -0.004 0.000 0.961 53 K CA -0.545 55.768 56.287 0.043 0.000 0.876 53 K CB 1.681 34.179 32.500 -0.003 0.000 1.077 53 K HN 0.297 nan 8.250 nan 0.000 0.440 54 T N 1.291 115.850 114.554 0.008 0.000 3.109 54 T HA 0.211 4.561 4.350 -0.001 0.000 0.311 54 T C -1.147 173.531 174.700 -0.037 0.000 1.011 54 T CA -0.600 61.483 62.100 -0.028 0.000 1.026 54 T CB 1.429 70.271 68.868 -0.044 0.000 1.047 54 T HN 0.553 nan 8.240 nan 0.000 0.448 55 T N 2.919 117.442 114.554 -0.051 0.000 2.761 55 T HA 0.431 4.780 4.350 -0.001 0.000 0.296 55 T C 0.136 174.755 174.700 -0.135 0.000 0.934 55 T CA -0.438 61.618 62.100 -0.075 0.000 1.091 55 T CB 0.488 69.330 68.868 -0.044 0.000 0.896 55 T HN 0.345 nan 8.240 nan 0.000 0.515 56 V N 4.656 124.401 119.914 -0.282 0.000 2.378 56 V HA 0.403 4.523 4.120 -0.001 0.000 0.288 56 V C 0.227 176.069 176.094 -0.420 0.000 1.016 56 V CA -0.860 61.230 62.300 -0.349 0.000 0.840 56 V CB 1.416 32.996 31.823 -0.404 0.000 0.994 56 V HN 0.728 nan 8.190 nan 0.000 0.431 57 K N 5.320 125.621 120.400 -0.165 0.000 2.185 57 K HA 0.610 4.929 4.320 -0.001 0.000 0.269 57 K C -0.832 175.785 176.600 0.029 0.000 0.987 57 K CA -0.661 55.605 56.287 -0.035 0.000 0.865 57 K CB 1.217 33.742 32.500 0.041 0.000 1.090 57 K HN 0.556 nan 8.250 nan 0.000 0.450 58 M N 3.128 122.800 119.600 0.121 0.000 2.393 58 M HA 0.343 4.823 4.480 -0.001 0.000 0.316 58 M C -1.450 175.007 176.300 0.261 0.000 1.087 58 M CA -0.187 55.226 55.300 0.187 0.000 0.937 58 M CB 1.867 34.608 32.600 0.236 0.000 1.668 58 M HN 0.612 nan 8.290 nan 0.000 0.438 59 T N 5.860 120.549 114.554 0.225 0.000 2.861 59 T HA 0.730 5.079 4.350 -0.001 0.000 0.287 59 T C -0.822 174.018 174.700 0.233 0.000 1.003 59 T CA -0.385 61.827 62.100 0.186 0.000 0.977 59 T CB 1.063 69.983 68.868 0.086 0.000 0.996 59 T HN 0.516 nan 8.240 nan 0.000 0.448 60 F N -0.113 119.920 119.950 0.139 0.000 2.593 60 F HA 0.927 5.454 4.527 -0.000 0.000 0.320 60 F C -0.901 174.947 175.800 0.079 0.000 1.060 60 F CA -1.076 56.989 58.000 0.108 0.000 0.940 60 F CB 1.393 40.475 39.000 0.137 0.000 1.268 60 F HN 0.251 nan 8.300 nan 0.000 0.475 61 D N 0.085 120.617 120.400 0.220 0.000 2.497 61 D HA 0.217 4.857 4.640 -0.001 0.000 0.243 61 D C -0.626 175.760 176.300 0.142 0.000 1.039 61 D CA -0.256 53.804 54.000 0.101 0.000 1.052 61 D CB 1.999 42.830 40.800 0.052 0.000 1.344 61 D HN 0.735 nan 8.370 nan 0.000 0.553 62 D N -0.225 120.218 120.400 0.071 0.000 2.433 62 D HA 0.015 4.655 4.640 -0.001 0.000 0.211 62 D C 1.253 177.567 176.300 0.023 0.000 1.114 62 D CA 0.080 54.107 54.000 0.044 0.000 0.837 62 D CB 0.580 41.398 40.800 0.031 0.000 0.984 62 D HN 0.231 nan 8.370 nan 0.000 0.505 63 K N 0.200 120.615 120.400 0.025 0.000 2.097 63 K HA -0.020 4.300 4.320 -0.001 0.000 0.206 63 K C 0.933 177.541 176.600 0.014 0.000 1.049 63 K CA 0.789 57.086 56.287 0.016 0.000 0.933 63 K CB 0.239 32.748 32.500 0.015 0.000 0.717 63 K HN -0.062 nan 8.250 nan 0.000 0.442 64 N N 0.398 119.109 118.700 0.019 0.000 2.378 64 N HA 0.123 4.863 4.740 -0.001 0.000 0.243 64 N C -0.658 174.855 175.510 0.005 0.000 1.137 64 N CA 0.566 53.625 53.050 0.013 0.000 0.862 64 N CB 1.228 39.727 38.487 0.020 0.000 1.116 64 N HN 0.348 nan 8.380 nan 0.000 0.499 65 G N 0.339 109.139 108.800 -0.000 0.000 2.348 65 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.606 65 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.606 65 G C -1.144 173.741 174.900 -0.025 0.000 1.466 65 G CA -0.979 44.114 45.100 -0.012 0.000 0.950 65 G HN 0.126 nan 8.290 nan 0.000 0.657 66 K N 0.267 120.647 120.400 -0.033 0.000 2.298 66 K HA 0.534 4.854 4.320 -0.001 0.000 0.280 66 K C 0.358 176.904 176.600 -0.090 0.000 1.032 66 K CA -0.541 55.717 56.287 -0.049 0.000 0.958 66 K CB 0.358 32.836 32.500 -0.036 0.000 0.978 66 K HN 0.384 nan 8.250 nan 0.000 0.472 67 I N 4.449 124.933 120.570 -0.143 0.000 2.325 67 I HA 0.103 4.273 4.170 -0.001 0.000 0.291 67 I C 0.373 176.372 176.117 -0.197 0.000 1.019 67 I CA -0.265 60.873 61.300 -0.271 0.000 1.302 67 I CB 1.381 39.053 38.000 -0.546 0.000 1.401 67 I HN 0.605 nan 8.210 nan 0.000 0.485 68 Q N 4.081 123.793 119.800 -0.146 0.000 2.852 68 Q HA 0.347 4.686 4.340 -0.001 0.000 0.262 68 Q C -0.328 175.666 176.000 -0.011 0.000 1.051 68 Q CA -1.013 54.754 55.803 -0.061 0.000 0.894 68 Q CB 1.253 29.969 28.738 -0.037 0.000 1.381 68 Q HN 0.576 nan 8.270 nan 0.000 0.501 69 N N -0.483 118.228 118.700 0.018 0.000 2.470 69 N HA 0.145 4.885 4.740 -0.001 0.000 0.268 69 N C 0.142 175.675 175.510 0.039 0.000 1.136 69 N CA 0.922 53.999 53.050 0.045 0.000 0.961 69 N CB 0.254 38.760 38.487 0.032 0.000 1.067 69 N HN 0.806 nan 8.380 nan 0.000 0.468 70 G N 2.598 111.433 108.800 0.059 0.000 2.175 70 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.244 70 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.244 70 G C -0.582 174.349 174.900 0.052 0.000 0.982 70 G CA -0.228 44.896 45.100 0.040 0.000 0.641 70 G HN 0.656 nan 8.290 nan 0.000 0.527 71 D N 0.650 121.107 120.400 0.095 0.000 2.350 71 D HA 0.608 5.248 4.640 -0.001 0.000 0.249 71 D C 0.766 177.184 176.300 0.197 0.000 1.119 71 D CA 0.686 54.748 54.000 0.103 0.000 0.886 71 D CB 0.712 41.515 40.800 0.005 0.000 1.195 71 D HN 0.300 nan 8.370 nan 0.000 0.437 72 M N 2.352 122.010 119.600 0.097 0.000 2.326 72 M HA 0.423 4.903 4.480 -0.001 0.000 0.306 72 M C -1.026 175.296 176.300 0.037 0.000 1.054 72 M CA -0.823 54.506 55.300 0.049 0.000 0.922 72 M CB 2.222 34.820 32.600 -0.004 0.000 1.632 72 M HN 0.061 nan 8.290 nan 0.000 0.436 73 I N 3.446 124.022 120.570 0.011 0.000 2.355 73 I HA 0.422 4.592 4.170 -0.001 0.000 0.288 73 I C -0.379 175.728 176.117 -0.017 0.000 0.999 73 I CA -0.518 60.786 61.300 0.005 0.000 1.163 73 I CB 1.356 39.358 38.000 0.003 0.000 1.316 73 I HN 0.655 nan 8.210 nan 0.000 0.454 74 K N 5.332 125.724 120.400 -0.012 0.000 2.244 74 K HA 0.633 4.953 4.320 -0.001 0.000 0.260 74 K C -0.996 175.595 176.600 -0.016 0.000 0.951 74 K CA -0.702 55.559 56.287 -0.044 0.000 0.826 74 K CB 2.947 35.404 32.500 -0.072 0.000 1.108 74 K HN 0.261 nan 8.250 nan 0.000 0.433 75 V N 2.567 122.465 119.914 -0.027 0.000 2.350 75 V HA 0.422 4.542 4.120 -0.001 0.000 0.285 75 V C -0.296 175.679 176.094 -0.198 0.000 1.014 75 V CA -0.797 61.524 62.300 0.035 0.000 0.831 75 V CB 1.165 33.164 31.823 0.294 0.000 1.000 75 V HN 0.881 nan 8.190 nan 0.000 0.433 76 A N 5.366 128.087 122.820 -0.165 0.000 2.325 76 A HA 1.007 5.326 4.320 -0.001 0.000 0.333 76 A C -1.093 176.436 177.584 -0.092 0.000 1.155 76 A CA -0.543 51.291 52.037 -0.339 0.000 0.814 76 A CB 1.179 20.052 19.000 -0.213 0.000 1.206 76 A HN 1.053 nan 8.150 nan 0.000 0.482 77 W N 0.414 121.740 121.300 0.044 0.000 3.062 77 W HA 0.696 5.355 4.660 -0.001 0.000 0.336 77 W C -2.971 173.560 176.519 0.020 0.000 1.224 77 W CA -2.949 54.418 57.345 0.037 0.000 1.159 77 W CB -0.102 29.388 29.460 0.051 0.000 1.454 77 W HN 0.422 nan 8.180 nan 0.000 0.569 78 P HA 0.029 nan 4.420 nan 0.000 0.261 78 P C 0.774 178.222 177.300 0.248 0.000 1.203 78 P CA 0.597 63.815 63.100 0.196 0.000 0.767 78 P CB 0.830 32.608 31.700 0.130 0.000 0.785 79 T N -0.911 113.746 114.554 0.172 0.000 3.037 79 T HA 0.126 4.476 4.350 -0.001 0.000 0.251 79 T C 0.692 175.445 174.700 0.088 0.000 1.079 79 T CA 0.128 62.325 62.100 0.162 0.000 1.067 79 T CB -0.079 68.849 68.868 0.099 0.000 0.948 79 T HN 0.527 nan 8.240 nan 0.000 0.496 80 S N -0.903 114.833 115.700 0.061 0.000 2.541 80 S HA 0.795 5.265 4.470 -0.001 0.000 0.271 80 S C -0.047 174.569 174.600 0.027 0.000 1.133 80 S CA -0.273 57.948 58.200 0.034 0.000 0.876 80 S CB 1.845 65.058 63.200 0.022 0.000 1.105 80 S HN 1.227 nan 8.310 nan 0.000 0.470 81 G N 0.982 109.791 108.800 0.015 0.000 2.225 81 G HA2 0.058 4.018 3.960 -0.001 0.000 0.203 81 G HA3 0.058 4.018 3.960 -0.001 0.000 0.203 81 G C 0.536 175.438 174.900 0.003 0.000 1.335 81 G CA 0.531 45.636 45.100 0.010 0.000 1.183 81 G HN 1.449 nan 8.290 nan 0.000 0.488 82 T N -0.317 114.239 114.554 0.002 0.000 2.904 82 T HA 0.245 4.595 4.350 -0.001 0.000 0.267 82 T C 1.056 175.753 174.700 -0.005 0.000 1.059 82 T CA 2.624 64.721 62.100 -0.005 0.000 1.137 82 T CB -0.595 68.269 68.868 -0.006 0.000 0.879 82 T HN 1.755 nan 8.240 nan 0.000 0.467 83 V N 0.287 120.204 119.914 0.004 0.000 2.443 83 V HA 0.654 4.774 4.120 -0.001 0.000 0.293 83 V C -0.686 175.417 176.094 0.015 0.000 1.021 83 V CA -1.392 60.910 62.300 0.004 0.000 0.848 83 V CB 1.495 33.323 31.823 0.008 0.000 0.998 83 V HN 0.143 nan 8.190 nan 0.000 0.424 84 K N 4.820 125.220 120.400 -0.000 0.000 2.244 84 K HA 0.691 5.010 4.320 -0.001 0.000 0.260 84 K C -1.283 175.290 176.600 -0.044 0.000 0.951 84 K CA -0.855 55.435 56.287 0.006 0.000 0.826 84 K CB 1.637 34.136 32.500 -0.002 0.000 1.108 84 K HN 0.700 nan 8.250 nan 0.000 0.433 85 I N 3.949 124.485 120.570 -0.057 0.000 2.362 85 I HA 0.250 4.420 4.170 -0.001 0.000 0.289 85 I C -0.292 175.580 176.117 -0.410 0.000 0.994 85 I CA -0.527 60.590 61.300 -0.305 0.000 1.158 85 I CB 1.542 39.256 38.000 -0.477 0.000 1.315 85 I HN 0.610 nan 8.210 nan 0.000 0.451 86 E N 5.155 125.109 120.200 -0.410 0.000 2.102 86 E HA 0.359 4.708 4.350 -0.001 0.000 0.263 86 E C 0.269 176.573 176.600 -0.492 0.000 0.894 86 E CA -0.375 55.823 56.400 -0.337 0.000 0.746 86 E CB 2.208 31.731 29.700 -0.295 0.000 1.129 86 E HN 0.757 nan 8.360 nan 0.000 0.416 87 G N 2.689 111.299 108.800 -0.317 0.000 2.364 87 G HA2 0.128 4.088 3.960 -0.001 0.000 0.267 87 G HA3 0.128 4.088 3.960 -0.001 0.000 0.267 87 G C -0.447 174.391 174.900 -0.103 0.000 1.233 87 G CA -0.209 44.782 45.100 -0.181 0.000 0.885 87 G HN 0.386 nan 8.290 nan 0.000 0.490 88 Y N 1.810 122.120 120.300 0.017 0.000 2.496 88 Y HA 0.151 4.700 4.550 -0.000 0.000 0.334 88 Y C 1.429 177.345 175.900 0.028 0.000 1.080 88 Y CA 0.244 58.361 58.100 0.029 0.000 1.355 88 Y CB 1.114 39.597 38.460 0.038 0.000 1.193 88 Y HN 0.471 nan 8.280 nan 0.000 0.523 89 S N 5.656 121.443 115.700 0.145 0.000 2.507 89 S HA 0.112 4.582 4.470 -0.001 0.000 0.299 89 S C -0.272 174.371 174.600 0.071 0.000 1.214 89 S CA -0.256 57.990 58.200 0.078 0.000 1.137 89 S CB -0.542 62.692 63.200 0.057 0.000 1.009 89 S HN 0.467 nan 8.310 nan 0.000 0.512 90 K N 3.029 123.448 120.400 0.032 0.000 2.512 90 K HA 0.431 4.751 4.320 -0.001 0.000 0.263 90 K C -1.178 175.409 176.600 -0.022 0.000 0.966 90 K CA -0.699 55.600 56.287 0.020 0.000 0.851 90 K CB 2.159 34.687 32.500 0.046 0.000 1.395 90 K HN 0.446 nan 8.250 nan 0.000 0.440 91 T N 0.916 115.460 114.554 -0.017 0.000 3.009 91 T HA 0.305 4.655 4.350 -0.001 0.000 0.346 91 T C -0.610 174.073 174.700 -0.029 0.000 1.092 91 T CA -0.550 61.528 62.100 -0.036 0.000 1.080 91 T CB 0.742 69.590 68.868 -0.032 0.000 1.037 91 T HN 0.146 nan 8.240 nan 0.000 0.487 92 V N 5.773 125.664 119.914 -0.039 0.000 2.370 92 V HA 0.475 4.595 4.120 -0.001 0.000 0.283 92 V C -2.155 173.906 176.094 -0.054 0.000 1.023 92 V CA -2.266 60.014 62.300 -0.034 0.000 0.857 92 V CB 1.281 33.090 31.823 -0.024 0.000 0.985 92 V HN 0.568 nan 8.190 nan 0.000 0.443 93 P HA 0.349 nan 4.420 nan 0.000 0.284 93 P C -0.700 176.574 177.300 -0.042 0.000 1.253 93 P CA -0.462 62.609 63.100 -0.048 0.000 0.800 93 P CB 1.140 32.824 31.700 -0.028 0.000 0.961 94 L N 3.014 124.208 121.223 -0.048 0.000 2.385 94 L HA 0.231 4.571 4.340 -0.001 0.000 0.285 94 L C 0.402 177.289 176.870 0.029 0.000 1.125 94 L CA 0.251 55.088 54.840 -0.006 0.000 0.890 94 L CB -0.393 41.672 42.059 0.010 0.000 1.251 94 L HN 0.299 nan 8.230 nan 0.000 0.445 95 T N 2.265 116.839 114.554 0.032 0.000 2.779 95 T HA 0.436 4.785 4.350 -0.001 0.000 0.280 95 T C -0.443 174.291 174.700 0.055 0.000 0.987 95 T CA -0.459 61.665 62.100 0.040 0.000 0.966 95 T CB 2.446 71.331 68.868 0.027 0.000 0.933 95 T HN 0.205 nan 8.240 nan 0.000 0.442 96 V N 5.881 125.830 119.914 0.059 0.000 2.483 96 V HA 0.460 4.580 4.120 -0.001 0.000 0.297 96 V C -0.139 175.983 176.094 0.047 0.000 1.027 96 V CA -1.137 61.199 62.300 0.060 0.000 0.855 96 V CB 0.903 32.770 31.823 0.074 0.000 0.995 96 V HN 0.972 nan 8.190 nan 0.000 0.424 97 K N 4.885 125.310 120.400 0.041 0.000 3.540 97 K HA -0.189 4.130 4.320 -0.001 0.000 0.274 97 K C 0.805 177.423 176.600 0.030 0.000 0.890 97 K CA 1.095 57.402 56.287 0.033 0.000 0.701 97 K CB -2.252 30.267 32.500 0.031 0.000 1.523 97 K HN 2.216 nan 8.250 nan 0.000 0.450 98 G N -0.508 108.309 108.800 0.029 0.000 2.143 98 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.248 98 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.248 98 G C -0.410 174.505 174.900 0.026 0.000 0.991 98 G CA 0.505 45.620 45.100 0.025 0.000 0.689 98 G HN 0.588 nan 8.290 nan 0.000 0.522 99 E N -0.071 120.148 120.200 0.032 0.000 2.244 99 E HA 0.272 4.622 4.350 -0.001 0.000 0.260 99 E C -0.362 176.262 176.600 0.039 0.000 0.884 99 E CA -0.572 55.849 56.400 0.034 0.000 0.777 99 E CB 1.463 31.186 29.700 0.038 0.000 1.197 99 E HN 0.438 nan 8.360 nan 0.000 0.416 100 Q N 3.102 122.921 119.800 0.031 0.000 2.423 100 Q HA 0.140 4.479 4.340 -0.001 0.000 0.235 100 Q C 0.908 176.930 176.000 0.038 0.000 1.100 100 Q CA -0.167 55.653 55.803 0.028 0.000 0.908 100 Q CB 0.392 29.136 28.738 0.011 0.000 1.312 100 Q HN 0.474 nan 8.270 nan 0.000 0.497 101 V N 0.779 120.732 119.914 0.064 0.000 3.235 101 V HA 0.420 4.539 4.120 -0.001 0.000 0.259 101 V C 0.618 176.776 176.094 0.107 0.000 1.133 101 V CA 0.853 63.214 62.300 0.103 0.000 1.128 101 V CB 0.141 32.054 31.823 0.150 0.000 0.757 101 V HN 0.540 nan 8.190 nan 0.000 0.469 102 G N -0.702 108.109 108.800 0.018 0.000 2.682 102 G HA2 0.602 4.562 3.960 -0.001 0.000 0.290 102 G HA3 0.602 4.562 3.960 -0.001 0.000 0.290 102 G C -1.931 172.866 174.900 -0.170 0.000 1.425 102 G CA -0.649 44.359 45.100 -0.153 0.000 0.807 102 G HN 0.255 nan 8.290 nan 0.000 0.482 103 Q N -0.625 119.020 119.800 -0.259 0.000 2.271 103 Q HA 0.612 4.952 4.340 -0.001 0.000 0.268 103 Q C -1.290 174.576 176.000 -0.224 0.000 1.021 103 Q CA -0.880 54.812 55.803 -0.185 0.000 0.802 103 Q CB 2.116 30.776 28.738 -0.129 0.000 1.282 103 Q HN 0.935 nan 8.270 nan 0.000 0.431 104 A N 3.470 126.189 122.820 -0.169 0.000 2.273 104 A HA 0.668 4.987 4.320 -0.001 0.000 0.315 104 A C -1.043 176.457 177.584 -0.140 0.000 1.256 104 A CA -0.442 51.498 52.037 -0.161 0.000 0.851 104 A CB 1.043 19.970 19.000 -0.121 0.000 1.172 104 A HN 0.441 nan 8.150 nan 0.000 0.508 105 V N 3.807 123.628 119.914 -0.156 0.000 2.495 105 V HA 0.443 4.563 4.120 -0.001 0.000 0.298 105 V C -0.599 175.381 176.094 -0.191 0.000 1.031 105 V CA -0.318 61.898 62.300 -0.140 0.000 0.871 105 V CB 1.335 33.093 31.823 -0.109 0.000 0.988 105 V HN 0.732 nan 8.190 nan 0.000 0.432 106 I N 3.786 124.246 120.570 -0.184 0.000 2.354 106 I HA 0.591 4.760 4.170 -0.001 0.000 0.292 106 I C 0.279 176.361 176.117 -0.058 0.000 0.989 106 I CA 0.254 61.429 61.300 -0.208 0.000 1.188 106 I CB 1.995 39.810 38.000 -0.309 0.000 1.342 106 I HN 0.623 nan 8.210 nan 0.000 0.457 107 T N 6.077 120.628 114.554 -0.004 0.000 2.876 107 T HA 0.324 4.674 4.350 -0.001 0.000 0.289 107 T C -2.217 172.592 174.700 0.181 0.000 1.014 107 T CA -1.425 60.699 62.100 0.041 0.000 0.986 107 T CB 1.891 70.748 68.868 -0.018 0.000 1.021 107 T HN 0.238 nan 8.240 nan 0.000 0.458 108 P HA -0.017 nan 4.420 nan 0.000 0.238 108 P C 0.324 177.823 177.300 0.333 0.000 1.175 108 P CA 0.997 64.215 63.100 0.196 0.000 0.757 108 P CB 0.146 31.880 31.700 0.056 0.000 0.839 109 D N -2.318 118.221 120.400 0.231 0.000 2.480 109 D HA 0.253 4.893 4.640 -0.001 0.000 0.243 109 D C 1.078 177.162 176.300 -0.359 0.000 1.120 109 D CA 0.523 54.562 54.000 0.064 0.000 0.835 109 D CB 1.367 42.158 40.800 -0.014 0.000 1.204 109 D HN 0.121 nan 8.370 nan 0.000 0.513 110 G N 0.202 108.737 108.800 -0.441 0.000 2.355 110 G HA2 0.494 4.454 3.960 -0.001 0.000 0.296 110 G HA3 0.494 4.454 3.960 -0.001 0.000 0.296 110 G C -1.879 172.735 174.900 -0.478 0.000 1.507 110 G CA -0.223 44.361 45.100 -0.860 0.000 0.823 110 G HN 0.135 nan 8.290 nan 0.000 0.569 111 A N 0.387 122.933 122.820 -0.457 0.000 2.304 111 A HA 0.884 5.204 4.320 -0.001 0.000 0.314 111 A C 0.214 177.684 177.584 -0.191 0.000 1.187 111 A CA 0.098 51.968 52.037 -0.280 0.000 0.810 111 A CB 0.990 19.787 19.000 -0.339 0.000 1.183 111 A HN 1.906 nan 8.150 nan 0.000 0.487 112 T N 0.194 114.644 114.554 -0.173 0.000 2.797 112 T HA 0.704 5.054 4.350 -0.001 0.000 0.279 112 T C -0.483 174.125 174.700 -0.155 0.000 0.991 112 T CA -0.331 61.686 62.100 -0.138 0.000 0.979 112 T CB 0.616 69.410 68.868 -0.123 0.000 0.943 112 T HN 0.367 nan 8.240 nan 0.000 0.444 113 I N 3.342 123.813 120.570 -0.165 0.000 2.390 113 I HA 0.291 4.460 4.170 -0.001 0.000 0.283 113 I C 0.068 175.958 176.117 -0.378 0.000 1.016 113 I CA -0.616 60.514 61.300 -0.284 0.000 1.151 113 I CB 1.481 39.303 38.000 -0.297 0.000 1.293 113 I HN 0.685 nan 8.210 nan 0.000 0.458 114 T N 5.511 119.849 114.554 -0.359 0.000 2.829 114 T HA 0.540 4.890 4.350 -0.001 0.000 0.282 114 T C -0.413 174.051 174.700 -0.392 0.000 0.990 114 T CA -0.314 61.632 62.100 -0.256 0.000 1.028 114 T CB 0.808 69.600 68.868 -0.127 0.000 0.951 114 T HN 0.063 nan 8.240 nan 0.000 0.460 115 F N 2.605 122.509 119.950 -0.078 0.000 2.420 115 F HA 0.419 4.946 4.527 -0.001 0.000 0.342 115 F C 1.050 176.829 175.800 -0.035 0.000 1.113 115 F CA -1.096 56.870 58.000 -0.058 0.000 1.059 115 F CB 1.079 40.035 39.000 -0.073 0.000 1.128 115 F HN 0.405 nan 8.300 nan 0.000 0.475 116 N N 1.934 120.716 118.700 0.137 0.000 2.364 116 N HA 0.024 4.763 4.740 -0.001 0.000 0.264 116 N C 0.856 176.418 175.510 0.086 0.000 1.263 116 N CA -0.175 52.923 53.050 0.080 0.000 0.959 116 N CB 0.472 38.987 38.487 0.046 0.000 1.204 116 N HN 0.639 nan 8.380 nan 0.000 0.550 117 D N -0.161 120.271 120.400 0.053 0.000 2.348 117 D HA -0.109 4.530 4.640 -0.001 0.000 0.216 117 D C 0.517 176.843 176.300 0.043 0.000 0.970 117 D CA 0.980 55.005 54.000 0.042 0.000 0.889 117 D CB -0.008 40.808 40.800 0.027 0.000 0.912 117 D HN 0.390 nan 8.370 nan 0.000 0.524 118 K N 0.188 120.619 120.400 0.052 0.000 2.365 118 K HA 0.028 4.347 4.320 -0.001 0.000 0.199 118 K C 1.945 178.584 176.600 0.064 0.000 1.045 118 K CA 0.084 56.402 56.287 0.051 0.000 0.962 118 K CB 0.325 32.855 32.500 0.050 0.000 0.759 118 K HN -0.013 nan 8.250 nan 0.000 0.469 119 V N 1.553 121.517 119.914 0.085 0.000 3.041 119 V HA -0.100 4.020 4.120 -0.001 0.000 0.260 119 V C 0.782 176.903 176.094 0.044 0.000 1.105 119 V CA 1.248 63.602 62.300 0.091 0.000 1.125 119 V CB -0.160 31.751 31.823 0.147 0.000 0.730 119 V HN 0.239 nan 8.190 nan 0.000 0.479 120 E N -0.205 120.014 120.200 0.032 0.000 2.379 120 E HA 0.001 4.351 4.350 -0.001 0.000 0.209 120 E C 1.091 177.702 176.600 0.017 0.000 1.284 120 E CA 0.002 56.411 56.400 0.014 0.000 1.333 120 E CB 0.096 29.802 29.700 0.011 0.000 1.307 120 E HN 0.568 nan 8.360 nan 0.000 0.441 121 K N -0.474 119.940 120.400 0.024 0.000 2.511 121 K HA 0.193 4.513 4.320 -0.001 0.000 0.206 121 K C 0.325 176.939 176.600 0.023 0.000 1.333 121 K CA -0.047 56.254 56.287 0.023 0.000 0.957 121 K CB 0.821 33.337 32.500 0.026 0.000 1.172 121 K HN 0.026 nan 8.250 nan 0.000 0.547 122 L N 1.400 122.640 121.223 0.029 0.000 2.395 122 L HA 0.136 4.475 4.340 -0.001 0.000 0.269 122 L C 1.387 178.269 176.870 0.020 0.000 1.133 122 L CA -0.273 54.585 54.840 0.031 0.000 0.812 122 L CB 1.441 43.528 42.059 0.047 0.000 1.125 122 L HN 0.127 nan 8.230 nan 0.000 0.452 123 S N -0.601 115.110 115.700 0.018 0.000 2.527 123 S HA 0.106 4.576 4.470 -0.001 0.000 0.225 123 S C 0.319 174.926 174.600 0.012 0.000 1.046 123 S CA -0.219 57.987 58.200 0.011 0.000 0.929 123 S CB 0.215 63.421 63.200 0.009 0.000 0.851 123 S HN 0.590 nan 8.310 nan 0.000 0.565 124 D N 2.388 122.797 120.400 0.015 0.000 2.428 124 D HA 0.511 5.150 4.640 -0.001 0.000 0.221 124 D C -1.143 175.170 176.300 0.021 0.000 1.123 124 D CA -0.036 53.972 54.000 0.014 0.000 0.869 124 D CB 1.662 42.467 40.800 0.008 0.000 1.032 124 D HN 0.127 nan 8.370 nan 0.000 0.506 125 V N 2.018 121.949 119.914 0.029 0.000 2.417 125 V HA 0.462 4.582 4.120 -0.001 0.000 0.291 125 V C 0.076 176.169 176.094 -0.002 0.000 1.024 125 V CA -0.621 61.709 62.300 0.049 0.000 0.861 125 V CB 1.653 33.541 31.823 0.110 0.000 0.985 125 V HN 0.588 nan 8.190 nan 0.000 0.436 126 S N 2.791 118.442 115.700 -0.082 0.000 2.776 126 S HA 0.835 5.304 4.470 -0.001 0.000 0.284 126 S C -0.325 174.062 174.600 -0.356 0.000 1.160 126 S CA -0.302 57.760 58.200 -0.231 0.000 1.051 126 S CB 1.483 64.611 63.200 -0.119 0.000 1.037 126 S HN 1.093 nan 8.310 nan 0.000 0.485 127 G N 1.674 109.915 108.800 -0.931 0.000 2.730 127 G HA2 0.866 4.826 3.960 -0.001 0.000 0.289 127 G HA3 0.866 4.826 3.960 -0.001 0.000 0.289 127 G C -1.182 173.473 174.900 -0.409 0.000 1.341 127 G CA -1.198 43.497 45.100 -0.675 0.000 0.932 127 G HN 1.172 nan 8.290 nan 0.000 0.481 128 F N -1.836 118.040 119.950 -0.124 0.000 2.643 128 F HA 0.846 5.373 4.527 -0.000 0.000 0.314 128 F C -0.525 175.385 175.800 0.183 0.000 1.096 128 F CA -1.391 56.640 58.000 0.052 0.000 0.953 128 F CB 2.202 41.203 39.000 0.001 0.000 1.345 128 F HN 0.868 nan 8.300 nan 0.000 0.468 129 A N 2.551 125.385 122.820 0.024 0.000 2.684 129 A HA 0.478 4.797 4.320 -0.001 0.000 0.289 129 A C -1.367 176.318 177.584 0.167 0.000 1.139 129 A CA -0.553 51.467 52.037 -0.028 0.000 0.793 129 A CB 0.340 19.433 19.000 0.155 0.000 1.334 129 A HN 0.862 nan 8.150 nan 0.000 0.408 130 E N 1.645 121.925 120.200 0.133 0.000 2.175 130 E HA 0.769 5.118 4.350 -0.001 0.000 0.278 130 E C -0.828 175.854 176.600 0.138 0.000 0.969 130 E CA -0.584 55.863 56.400 0.078 0.000 0.796 130 E CB 1.257 31.064 29.700 0.178 0.000 1.104 130 E HN 0.691 nan 8.360 nan 0.000 0.395 131 F N -1.195 118.814 119.950 0.098 0.000 2.631 131 F HA 0.504 5.030 4.527 -0.000 0.000 0.308 131 F C -0.665 175.180 175.800 0.076 0.000 1.097 131 F CA -1.406 56.644 58.000 0.084 0.000 0.952 131 F CB 1.200 40.261 39.000 0.102 0.000 1.307 131 F HN 0.278 nan 8.300 nan 0.000 0.450 132 E N 1.808 122.174 120.200 0.277 0.000 2.283 132 E HA 0.550 4.900 4.350 -0.001 0.000 0.278 132 E C -0.716 176.107 176.600 0.372 0.000 1.027 132 E CA -0.926 55.587 56.400 0.188 0.000 0.843 132 E CB 2.228 31.952 29.700 0.040 0.000 1.062 132 E HN 0.635 nan 8.360 nan 0.000 0.401 133 V N 0.099 120.140 119.914 0.211 0.000 2.960 133 V HA 0.427 4.547 4.120 -0.001 0.000 0.315 133 V C -0.615 175.515 176.094 0.060 0.000 1.087 133 V CA -1.087 61.236 62.300 0.039 0.000 0.982 133 V CB 1.834 33.448 31.823 -0.348 0.000 1.039 133 V HN 0.669 nan 8.190 nan 0.000 0.437 134 Q N 1.090 120.779 119.800 -0.184 0.000 2.278 134 Q HA 0.609 4.948 4.340 -0.001 0.000 0.257 134 Q C 0.020 175.928 176.000 -0.153 0.000 0.928 134 Q CA -0.280 55.454 55.803 -0.114 0.000 0.932 134 Q CB 1.507 30.073 28.738 -0.288 0.000 1.221 134 Q HN 1.227 nan 8.270 nan 0.000 0.434 135 G N 3.254 112.009 108.800 -0.075 0.000 2.320 135 G HA2 0.451 4.410 3.960 -0.001 0.000 0.300 135 G HA3 0.451 4.410 3.960 -0.001 0.000 0.300 135 G C -0.880 173.989 174.900 -0.051 0.000 1.126 135 G CA -0.398 44.659 45.100 -0.071 0.000 0.896 135 G HN 0.508 nan 8.290 nan 0.000 0.436 136 R N 1.376 121.842 120.500 -0.056 0.000 2.561 136 R HA 0.295 4.635 4.340 -0.001 0.000 0.297 136 R C -0.640 175.642 176.300 -0.031 0.000 0.969 136 R CA -0.683 55.392 56.100 -0.042 0.000 0.879 136 R CB 1.194 31.462 30.300 -0.053 0.000 1.178 136 R HN 0.579 nan 8.270 nan 0.000 0.445 137 N N 5.225 123.908 118.700 -0.028 0.000 2.609 137 N HA 0.179 4.919 4.740 -0.001 0.000 0.234 137 N C -0.361 175.128 175.510 -0.035 0.000 1.001 137 N CA -0.151 52.881 53.050 -0.031 0.000 0.926 137 N CB 0.714 39.179 38.487 -0.038 0.000 1.130 137 N HN 0.533 nan 8.380 nan 0.000 0.510 138 L N 2.471 123.677 121.223 -0.029 0.000 2.688 138 L HA 0.143 4.482 4.340 -0.001 0.000 0.234 138 L C 0.249 177.102 176.870 -0.029 0.000 1.192 138 L CA 0.095 54.917 54.840 -0.029 0.000 0.984 138 L CB -0.103 41.942 42.059 -0.022 0.000 1.232 138 L HN 0.400 nan 8.230 nan 0.000 0.465 139 T N 0.789 115.322 114.554 -0.035 0.000 2.751 139 T HA 0.163 4.513 4.350 -0.001 0.000 0.290 139 T C 0.798 175.475 174.700 -0.039 0.000 0.919 139 T CA -0.018 62.060 62.100 -0.035 0.000 1.136 139 T CB 0.986 69.829 68.868 -0.042 0.000 0.875 139 T HN 0.431 nan 8.240 nan 0.000 0.532 140 Q N 2.798 122.579 119.800 -0.032 0.000 3.150 140 Q HA 0.454 4.793 4.340 -0.001 0.000 0.297 140 Q C 0.253 176.235 176.000 -0.029 0.000 1.382 140 Q CA -0.689 55.096 55.803 -0.031 0.000 1.059 140 Q CB -0.370 nan 28.738 nan 0.000 1.559 140 Q HN 0.741 nan 8.270 nan 0.000 0.548 141 T N -0.475 114.058 114.554 -0.034 0.000 2.906 141 T HA 0.323 4.673 4.350 -0.001 0.000 0.295 141 T C 0.732 175.411 174.700 -0.035 0.000 1.061 141 T CA -0.343 61.739 62.100 -0.031 0.000 1.000 141 T CB 1.277 70.127 68.868 -0.030 0.000 1.103 141 T HN 0.671 nan 8.240 nan 0.000 0.486 142 N N 0.872 119.555 118.700 -0.028 0.000 1.668 142 N HA -0.242 4.497 4.740 -0.001 0.000 0.135 142 N C 1.143 176.634 175.510 -0.032 0.000 0.630 142 N CA 2.546 55.581 53.050 -0.026 0.000 0.819 142 N CB -0.375 38.101 38.487 -0.019 0.000 0.811 142 N HN 0.695 nan 8.380 nan 0.000 1.247 143 T N -1.001 113.534 114.554 -0.033 0.000 3.405 143 T HA 0.179 4.528 4.350 -0.001 0.000 0.282 143 T C 0.455 175.116 174.700 -0.064 0.000 1.198 143 T CA -0.592 61.487 62.100 -0.035 0.000 0.959 143 T CB -0.040 68.817 68.868 -0.018 0.000 2.368 143 T HN 0.214 nan 8.240 nan 0.000 0.519 144 S N 1.627 117.290 115.700 -0.061 0.000 2.533 144 S HA 0.171 4.640 4.470 -0.001 0.000 0.282 144 S C -0.752 173.757 174.600 -0.152 0.000 1.304 144 S CA -0.381 57.740 58.200 -0.131 0.000 1.063 144 S CB -0.593 62.596 63.200 -0.017 0.000 0.881 144 S HN 0.588 nan 8.310 nan 0.000 0.493 145 D N 3.027 123.269 120.400 -0.264 0.000 2.787 145 D HA 0.261 4.900 4.640 -0.001 0.000 0.246 145 D C -1.672 174.519 176.300 -0.181 0.000 1.150 145 D CA -0.445 53.454 54.000 -0.169 0.000 0.864 145 D CB 1.439 42.165 40.800 -0.124 0.000 1.481 145 D HN 0.479 nan 8.370 nan 0.000 0.509 146 D N 3.121 123.482 120.400 -0.065 0.000 2.471 146 D HA 0.238 4.878 4.640 -0.001 0.000 0.245 146 D C -0.687 175.612 176.300 -0.002 0.000 1.116 146 D CA -0.448 53.549 54.000 -0.004 0.000 0.853 146 D CB 1.904 42.741 40.800 0.062 0.000 1.123 146 D HN 0.145 nan 8.370 nan 0.000 0.540 147 K N 1.540 121.937 120.400 -0.004 0.000 2.345 147 K HA 0.389 4.709 4.320 -0.001 0.000 0.255 147 K C -0.621 175.984 176.600 0.009 0.000 0.934 147 K CA -0.799 55.488 56.287 0.000 0.000 0.801 147 K CB 1.560 34.056 32.500 -0.008 0.000 1.137 147 K HN 0.188 nan 8.250 nan 0.000 0.424 148 V N 1.476 121.398 119.914 0.013 0.000 2.583 148 V HA 0.793 4.913 4.120 -0.001 0.000 0.287 148 V C -0.107 176.001 176.094 0.022 0.000 1.051 148 V CA -0.833 61.477 62.300 0.018 0.000 1.010 148 V CB 1.054 32.889 31.823 0.019 0.000 0.988 148 V HN 0.775 nan 8.190 nan 0.000 0.478 149 A N 3.427 126.262 122.820 0.025 0.000 2.287 149 A HA 0.712 5.031 4.320 -0.001 0.000 0.317 149 A C 0.273 177.889 177.584 0.053 0.000 1.220 149 A CA -0.482 51.578 52.037 0.039 0.000 0.835 149 A CB 0.696 19.715 19.000 0.031 0.000 1.180 149 A HN 0.933 nan 8.150 nan 0.000 0.500 150 T N 3.903 118.497 114.554 0.066 0.000 2.738 150 T HA 0.443 4.793 4.350 -0.001 0.000 0.298 150 T C 0.058 174.823 174.700 0.109 0.000 0.962 150 T CA 0.214 62.357 62.100 0.071 0.000 0.972 150 T CB -0.097 68.804 68.868 0.055 0.000 0.928 150 T HN 0.455 nan 8.240 nan 0.000 0.474 151 I N 4.005 124.649 120.570 0.124 0.000 2.365 151 I HA 0.334 4.504 4.170 -0.001 0.000 0.291 151 I C 0.903 177.100 176.117 0.134 0.000 1.004 151 I CA -0.591 60.819 61.300 0.183 0.000 1.311 151 I CB 1.162 39.296 38.000 0.223 0.000 1.401 151 I HN 0.601 nan 8.210 nan 0.000 0.491 152 T N 1.478 116.105 114.554 0.123 0.000 2.856 152 T HA 0.565 4.915 4.350 -0.001 0.000 0.283 152 T C -0.360 174.386 174.700 0.076 0.000 1.008 152 T CA -0.828 61.319 62.100 0.079 0.000 0.997 152 T CB 1.777 70.673 68.868 0.048 0.000 0.992 152 T HN 0.477 nan 8.240 nan 0.000 0.454 153 S N 1.565 117.308 115.700 0.072 0.000 2.673 153 S HA 0.592 5.062 4.470 -0.001 0.000 0.256 153 S C 0.922 175.559 174.600 0.062 0.000 1.141 153 S CA 0.473 58.717 58.200 0.073 0.000 1.109 153 S CB -0.101 63.166 63.200 0.110 0.000 1.101 153 S HN 1.922 nan 8.310 nan 0.000 0.471 154 G N 5.344 114.169 108.800 0.043 0.000 3.274 154 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.313 154 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.313 154 G C 0.438 175.357 174.900 0.032 0.000 1.295 154 G CA 0.839 45.961 45.100 0.037 0.000 1.004 154 G HN 0.724 nan 8.290 nan 0.000 0.614 155 N N 0.420 119.143 118.700 0.038 0.000 2.160 155 N HA 0.226 4.966 4.740 -0.001 0.000 0.226 155 N C -0.299 175.233 175.510 0.036 0.000 1.256 155 N CA -0.297 52.772 53.050 0.032 0.000 0.890 155 N CB 0.757 39.261 38.487 0.028 0.000 1.116 155 N HN 0.185 nan 8.380 nan 0.000 0.517 156 K N 0.901 121.328 120.400 0.045 0.000 2.138 156 K HA 0.509 4.829 4.320 -0.001 0.000 0.263 156 K C -0.550 176.079 176.600 0.049 0.000 0.965 156 K CA -0.258 56.057 56.287 0.047 0.000 0.868 156 K CB 2.075 34.608 32.500 0.055 0.000 1.083 156 K HN -0.142 nan 8.250 nan 0.000 0.443 157 S N 0.007 115.733 115.700 0.044 0.000 2.599 157 S HA 0.603 5.073 4.470 -0.001 0.000 0.287 157 S C -0.612 174.014 174.600 0.042 0.000 1.105 157 S CA -0.681 57.547 58.200 0.046 0.000 0.899 157 S CB 2.270 65.493 63.200 0.039 0.000 1.100 157 S HN 0.647 nan 8.310 nan 0.000 0.482 158 T N 1.451 116.033 114.554 0.047 0.000 2.868 158 T HA 0.512 4.862 4.350 -0.001 0.000 0.306 158 T C -2.054 172.669 174.700 0.037 0.000 1.224 158 T CA -0.821 61.301 62.100 0.038 0.000 1.012 158 T CB 0.912 69.801 68.868 0.036 0.000 1.221 158 T HN 0.518 nan 8.240 nan 0.000 0.499 159 N N 1.641 120.356 118.700 0.026 0.000 2.362 159 N HA 0.629 5.369 4.740 -0.001 0.000 0.298 159 N C -1.275 174.245 175.510 0.017 0.000 1.048 159 N CA -0.397 52.667 53.050 0.024 0.000 0.858 159 N CB 2.065 40.563 38.487 0.019 0.000 1.218 159 N HN 0.438 nan 8.380 nan 0.000 0.488 160 V N 1.256 121.180 119.914 0.017 0.000 2.482 160 V HA 0.364 4.483 4.120 -0.001 0.000 0.295 160 V C -0.156 175.944 176.094 0.011 0.000 1.026 160 V CA -0.710 61.595 62.300 0.008 0.000 0.856 160 V CB 1.699 33.521 31.823 -0.001 0.000 1.001 160 V HN 0.581 nan 8.190 nan 0.000 0.424 161 T N 4.581 119.143 114.554 0.012 0.000 2.744 161 T HA 0.562 4.912 4.350 -0.001 0.000 0.291 161 T C -0.097 174.621 174.700 0.030 0.000 0.957 161 T CA -0.327 61.786 62.100 0.023 0.000 1.002 161 T CB 1.298 70.183 68.868 0.028 0.000 0.919 161 T HN 0.405 nan 8.240 nan 0.000 0.468 162 V N 3.905 123.838 119.914 0.032 0.000 2.483 162 V HA 0.386 4.506 4.120 -0.001 0.000 0.295 162 V C -0.051 176.085 176.094 0.070 0.000 1.035 162 V CA -0.951 61.372 62.300 0.039 0.000 0.896 162 V CB 1.466 33.294 31.823 0.008 0.000 0.986 162 V HN 0.836 nan 8.190 nan 0.000 0.447 163 H N 4.224 123.285 119.070 -0.015 0.000 2.539 163 H HA 0.458 5.013 4.556 -0.000 0.000 0.332 163 H C -0.829 174.490 175.328 -0.014 0.000 1.031 163 H CA -0.670 55.370 56.048 -0.013 0.000 1.206 163 H CB 1.708 31.463 29.762 -0.012 0.000 1.446 163 H HN 0.684 nan 8.280 nan 0.000 0.496 164 K N 2.829 122.999 120.400 -0.385 0.000 2.156 164 K HA 0.257 4.577 4.320 -0.001 0.000 0.271 164 K C -0.094 176.278 176.600 -0.381 0.000 0.995 164 K CA -0.421 55.712 56.287 -0.256 0.000 0.890 164 K CB 0.908 33.304 32.500 -0.174 0.000 1.073 164 K HN 0.469 nan 8.250 nan 0.000 0.454 165 S N 2.652 118.301 115.700 -0.085 0.000 2.650 165 S HA 0.038 4.508 4.470 -0.001 0.000 0.240 165 S C -1.106 173.506 174.600 0.020 0.000 1.007 165 S CA -0.391 57.844 58.200 0.058 0.000 0.984 165 S CB -0.043 63.271 63.200 0.190 0.000 0.910 165 S HN 0.848 nan 8.310 nan 0.000 0.509 166 E N 1.291 121.475 120.200 -0.028 0.000 7.681 166 E HA -0.125 4.225 4.350 -0.001 0.000 0.461 166 E C -0.184 176.407 176.600 -0.015 0.000 0.454 166 E CA 0.609 56.996 56.400 -0.022 0.000 0.808 166 E CB -0.931 28.762 29.700 -0.011 0.000 0.972 166 E HN 0.399 nan 8.360 nan 0.000 0.263 167 A N 3.193 126.000 122.820 -0.022 0.000 2.366 167 A HA 0.693 5.012 4.320 -0.001 0.000 0.249 167 A C 0.927 178.501 177.584 -0.018 0.000 1.084 167 A CA 0.463 52.485 52.037 -0.025 0.000 0.794 167 A CB 0.621 19.604 19.000 -0.029 0.000 1.034 167 A HN 1.047 nan 8.150 nan 0.000 0.491 168 G N -1.130 107.657 108.800 -0.022 0.000 2.938 168 G HA2 0.491 4.451 3.960 -0.001 0.000 0.258 168 G HA3 0.491 4.451 3.960 -0.001 0.000 0.258 168 G C 0.151 175.043 174.900 -0.012 0.000 1.356 168 G CA 0.408 45.499 45.100 -0.014 0.000 1.052 168 G HN 0.686 nan 8.290 nan 0.000 0.550 169 T N 0.312 114.864 114.554 -0.004 0.000 3.129 169 T HA 0.211 4.561 4.350 -0.001 0.000 0.267 169 T C 0.705 175.409 174.700 0.007 0.000 1.018 169 T CA -0.104 61.998 62.100 0.004 0.000 0.903 169 T CB 0.326 69.201 68.868 0.012 0.000 1.067 169 T HN 0.254 nan 8.240 nan 0.000 0.549 170 S N 3.771 119.468 115.700 -0.005 0.000 2.519 170 S HA 0.126 4.595 4.470 -0.001 0.000 0.320 170 S C 0.890 175.488 174.600 -0.003 0.000 1.179 170 S CA -0.492 57.707 58.200 -0.002 0.000 1.173 170 S CB -0.279 62.907 63.200 -0.024 0.000 1.224 170 S HN 0.583 nan 8.310 nan 0.000 0.542 171 S N 2.337 118.057 115.700 0.032 0.000 3.940 171 S HA 0.279 4.748 4.470 -0.001 0.000 0.210 171 S C 0.080 174.733 174.600 0.089 0.000 1.419 171 S CA -0.811 57.419 58.200 0.050 0.000 0.912 171 S CB -0.458 62.783 63.200 0.069 0.000 1.489 171 S HN 0.334 nan 8.310 nan 0.000 0.469 172 V N 3.817 123.769 119.914 0.063 0.000 2.508 172 V HA 0.166 4.286 4.120 -0.001 0.000 0.281 172 V C 1.112 177.294 176.094 0.147 0.000 1.041 172 V CA -0.356 62.020 62.300 0.128 0.000 1.016 172 V CB -0.091 31.781 31.823 0.082 0.000 0.984 172 V HN 0.787 nan 8.190 nan 0.000 0.478 173 F N 5.209 125.179 119.950 0.033 0.000 2.039 173 F HA -0.008 4.519 4.527 -0.000 0.000 0.294 173 F C 0.725 176.465 175.800 -0.100 0.000 1.130 173 F CA 1.225 59.170 58.000 -0.090 0.000 1.189 173 F CB 0.120 38.948 39.000 -0.287 0.000 0.983 173 F HN 0.442 nan 8.300 nan 0.000 0.471 174 Y N 1.319 121.582 120.300 -0.062 0.000 2.331 174 Y HA 0.391 4.941 4.550 -0.001 0.000 0.334 174 Y C -1.296 174.505 175.900 -0.165 0.000 0.960 174 Y CA -1.668 56.295 58.100 -0.229 0.000 1.130 174 Y CB 0.679 38.927 38.460 -0.354 0.000 1.164 174 Y HN 0.185 nan 8.280 nan 0.000 0.458 175 Y N 3.843 123.702 120.300 -0.736 0.000 2.553 175 Y HA 0.681 5.231 4.550 -0.001 0.000 0.347 175 Y C -1.794 173.752 175.900 -0.590 0.000 1.019 175 Y CA -1.466 56.329 58.100 -0.508 0.000 1.032 175 Y CB 1.728 40.088 38.460 -0.167 0.000 1.284 175 Y HN 0.558 nan 8.280 nan 0.000 0.466 176 K N 2.363 122.545 120.400 -0.363 0.000 2.376 176 K HA 0.715 5.034 4.320 -0.001 0.000 0.257 176 K C -1.677 174.802 176.600 -0.202 0.000 0.939 176 K CA -0.537 55.568 56.287 -0.303 0.000 0.809 176 K CB 1.795 34.266 32.500 -0.047 0.000 1.121 176 K HN 0.964 nan 8.250 nan 0.000 0.425 177 T N 1.678 116.047 114.554 -0.309 0.000 3.032 177 T HA 0.465 4.815 4.350 -0.001 0.000 0.312 177 T C -0.721 173.848 174.700 -0.218 0.000 1.078 177 T CA -0.814 60.917 62.100 -0.615 0.000 1.028 177 T CB 1.708 70.389 68.868 -0.312 0.000 1.091 177 T HN 0.705 nan 8.240 nan 0.000 0.457 178 G N 1.634 110.279 108.800 -0.258 0.000 2.600 178 G HA2 0.835 4.795 3.960 -0.001 0.000 0.303 178 G HA3 0.835 4.795 3.960 -0.001 0.000 0.303 178 G C -1.667 173.073 174.900 -0.267 0.000 1.253 178 G CA -0.697 44.199 45.100 -0.341 0.000 0.974 178 G HN 0.766 nan 8.290 nan 0.000 0.483 179 D N -1.496 118.749 120.400 -0.260 0.000 2.615 179 D HA 0.400 5.039 4.640 -0.001 0.000 0.267 179 D C -1.126 175.104 176.300 -0.116 0.000 1.236 179 D CA -0.700 53.229 54.000 -0.117 0.000 0.839 179 D CB 1.764 42.554 40.800 -0.017 0.000 1.380 179 D HN 0.485 nan 8.370 nan 0.000 0.433 180 M N 1.406 121.005 119.600 -0.002 0.000 2.190 180 M HA 0.385 4.865 4.480 -0.001 0.000 0.312 180 M C -1.255 175.145 176.300 0.166 0.000 0.990 180 M CA -0.755 54.575 55.300 0.051 0.000 0.927 180 M CB 1.350 33.980 32.600 0.050 0.000 1.571 180 M HN 0.355 nan 8.290 nan 0.000 0.427 181 L N 7.021 128.308 121.223 0.107 0.000 2.426 181 L HA 0.229 4.568 4.340 -0.001 0.000 0.271 181 L C -1.632 175.295 176.870 0.094 0.000 1.169 181 L CA -1.482 53.403 54.840 0.075 0.000 0.836 181 L CB 0.616 42.699 42.059 0.040 0.000 1.112 181 L HN 0.562 nan 8.230 nan 0.000 0.465 182 P HA -0.133 nan 4.420 nan 0.000 0.230 182 P C 0.736 178.016 177.300 -0.032 0.000 1.158 182 P CA 0.752 63.724 63.100 -0.212 0.000 0.769 182 P CB 0.155 31.580 31.700 -0.458 0.000 0.807 183 E N -1.212 118.989 120.200 0.001 0.000 2.307 183 E HA 0.007 4.356 4.350 -0.001 0.000 0.195 183 E C 0.278 176.909 176.600 0.052 0.000 0.975 183 E CA 0.598 57.013 56.400 0.023 0.000 0.878 183 E CB -0.257 29.450 29.700 0.012 0.000 0.845 183 E HN 0.151 nan 8.360 nan 0.000 0.488 184 D N 1.650 122.092 120.400 0.071 0.000 2.446 184 D HA 0.099 4.738 4.640 -0.001 0.000 0.251 184 D C -0.123 176.242 176.300 0.108 0.000 1.137 184 D CA -0.109 53.950 54.000 0.098 0.000 0.890 184 D CB 1.334 42.196 40.800 0.102 0.000 1.071 184 D HN 0.032 nan 8.370 nan 0.000 0.528 185 T N -0.608 114.004 114.554 0.097 0.000 3.145 185 T HA 0.029 4.378 4.350 -0.001 0.000 0.255 185 T C 1.410 176.115 174.700 0.009 0.000 1.039 185 T CA 0.156 62.303 62.100 0.079 0.000 0.928 185 T CB 0.119 69.050 68.868 0.105 0.000 1.029 185 T HN 0.287 nan 8.240 nan 0.000 0.554 186 T N -1.527 113.013 114.554 -0.024 0.000 3.037 186 T HA 0.225 4.574 4.350 -0.001 0.000 0.252 186 T C 0.228 174.674 174.700 -0.424 0.000 1.073 186 T CA 0.056 62.034 62.100 -0.203 0.000 1.091 186 T CB -0.264 68.454 68.868 -0.250 0.000 0.935 186 T HN 0.564 nan 8.240 nan 0.000 0.488 187 H N -0.141 118.897 119.070 -0.052 0.000 2.679 187 H HA 0.709 5.265 4.556 -0.000 0.000 0.367 187 H C -1.171 174.076 175.328 -0.135 0.000 1.162 187 H CA -0.886 55.113 56.048 -0.081 0.000 1.181 187 H CB 2.021 31.758 29.762 -0.041 0.000 1.693 187 H HN -0.027 nan 8.280 nan 0.000 0.538 188 V N 2.807 122.678 119.914 -0.071 0.000 2.357 188 V HA 0.342 4.462 4.120 -0.001 0.000 0.284 188 V C 0.246 176.185 176.094 -0.259 0.000 1.018 188 V CA -0.849 61.316 62.300 -0.225 0.000 0.841 188 V CB 0.970 32.581 31.823 -0.354 0.000 0.991 188 V HN 0.650 nan 8.190 nan 0.000 0.437 189 R N 3.410 123.712 120.500 -0.330 0.000 2.491 189 R HA 0.357 4.696 4.340 -0.001 0.000 0.283 189 R C -1.343 174.564 176.300 -0.655 0.000 1.072 189 R CA 0.224 56.097 56.100 -0.378 0.000 1.048 189 R CB 0.730 30.930 30.300 -0.165 0.000 0.983 189 R HN 0.669 nan 8.270 nan 0.000 0.450 190 W N 3.242 124.193 121.300 -0.582 0.000 2.900 190 W HA 0.356 5.016 4.660 -0.001 0.000 0.336 190 W C -1.150 174.918 176.519 -0.753 0.000 1.064 190 W CA -0.457 56.547 57.345 -0.568 0.000 1.237 190 W CB 1.134 30.152 29.460 -0.736 0.000 1.391 190 W HN 0.342 nan 8.180 nan 0.000 0.468 191 F N 3.415 123.292 119.950 -0.122 0.000 2.469 191 F HA 0.550 5.077 4.527 -0.001 0.000 0.332 191 F C 0.062 175.765 175.800 -0.160 0.000 1.103 191 F CA -0.947 56.954 58.000 -0.164 0.000 0.979 191 F CB 1.186 40.061 39.000 -0.209 0.000 1.137 191 F HN -0.038 nan 8.300 nan 0.000 0.463 192 L N 4.345 125.594 121.223 0.043 0.000 2.426 192 L HA 0.354 4.693 4.340 -0.001 0.000 0.255 192 L C -0.474 176.370 176.870 -0.044 0.000 1.080 192 L CA -0.440 54.410 54.840 0.017 0.000 0.960 192 L CB -0.022 42.129 42.059 0.152 0.000 1.326 192 L HN 0.493 nan 8.230 nan 0.000 0.441 193 N N 4.065 122.585 118.700 -0.300 0.000 2.402 193 N HA 0.380 5.119 4.740 -0.001 0.000 0.252 193 N C -0.455 174.945 175.510 -0.183 0.000 1.118 193 N CA 0.097 52.971 53.050 -0.293 0.000 0.945 193 N CB 1.334 39.477 38.487 -0.575 0.000 1.147 193 N HN 0.397 nan 8.380 nan 0.000 0.495 194 I N 1.646 122.227 120.570 0.019 0.000 2.412 194 I HA 0.153 4.322 4.170 -0.001 0.000 0.296 194 I C 0.690 176.706 176.117 -0.170 0.000 0.987 194 I CA -0.847 60.494 61.300 0.069 0.000 1.180 194 I CB 1.002 39.112 38.000 0.183 0.000 1.340 194 I HN 0.372 nan 8.210 nan 0.000 0.455 195 N N 4.404 122.682 118.700 -0.704 0.000 2.667 195 N HA -0.207 4.532 4.740 -0.001 0.000 0.263 195 N C 0.565 175.804 175.510 -0.452 0.000 1.038 195 N CA 0.395 52.824 53.050 -1.036 0.000 0.749 195 N CB -0.554 37.575 38.487 -0.597 0.000 0.892 195 N HN 0.673 nan 8.380 nan 0.000 0.546 196 N N 0.353 118.848 118.700 -0.341 0.000 2.309 196 N HA -0.145 4.595 4.740 -0.001 0.000 0.182 196 N C 0.920 176.378 175.510 -0.086 0.000 1.018 196 N CA 0.981 53.956 53.050 -0.126 0.000 0.876 196 N CB 0.066 38.550 38.487 -0.006 0.000 0.972 196 N HN 0.550 nan 8.380 nan 0.000 0.434 197 E N 1.228 121.373 120.200 -0.091 0.000 2.444 197 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 197 E C -0.601 176.007 176.600 0.014 0.000 1.041 197 E CA -0.196 56.198 56.400 -0.011 0.000 0.883 197 E CB -0.295 29.427 29.700 0.038 0.000 1.024 197 E HN 0.244 nan 8.360 nan 0.000 0.470 198 K N -0.170 120.209 120.400 -0.034 0.000 4.116 198 K HA -0.211 4.109 4.320 -0.001 0.000 0.277 198 K C -0.635 176.019 176.600 0.090 0.000 0.835 198 K CA 0.611 56.910 56.287 0.020 0.000 0.740 198 K CB -2.343 30.194 32.500 0.062 0.000 1.714 198 K HN -0.037 nan 8.250 nan 0.000 0.433 199 S N 0.602 116.327 115.700 0.042 0.000 2.766 199 S HA 0.369 4.838 4.470 -0.001 0.000 0.307 199 S C -0.802 173.674 174.600 -0.207 0.000 1.121 199 S CA -0.967 57.251 58.200 0.030 0.000 0.980 199 S CB 0.576 63.877 63.200 0.168 0.000 1.159 199 S HN 0.398 nan 8.310 nan 0.000 0.546 200 Y N 1.728 121.821 120.300 -0.344 0.000 2.442 200 Y HA 0.374 4.923 4.550 -0.001 0.000 0.330 200 Y C -0.570 175.317 175.900 -0.023 0.000 1.129 200 Y CA 0.209 58.095 58.100 -0.357 0.000 1.365 200 Y CB 0.196 38.555 38.460 -0.169 0.000 1.233 200 Y HN 0.252 nan 8.280 nan 0.000 0.529 201 V N 5.460 125.121 119.914 -0.420 0.000 2.628 201 V HA 0.253 4.372 4.120 -0.001 0.000 0.306 201 V C 0.107 176.061 176.094 -0.234 0.000 1.045 201 V CA -0.521 61.694 62.300 -0.141 0.000 0.905 201 V CB 1.759 33.590 31.823 0.014 0.000 0.997 201 V HN 0.893 nan 8.190 nan 0.000 0.436 202 S N 1.926 117.627 115.700 0.002 0.000 2.512 202 S HA 0.227 4.697 4.470 -0.001 0.000 0.216 202 S C 0.407 175.025 174.600 0.031 0.000 1.006 202 S CA 0.050 58.287 58.200 0.063 0.000 0.915 202 S CB 0.131 63.406 63.200 0.124 0.000 0.824 202 S HN 0.705 nan 8.310 nan 0.000 0.497 203 K N 1.631 122.046 120.400 0.025 0.000 2.469 203 K HA 0.289 4.608 4.320 -0.001 0.000 0.254 203 K C -2.029 174.602 176.600 0.052 0.000 0.939 203 K CA -0.650 55.657 56.287 0.034 0.000 0.812 203 K CB 1.276 33.796 32.500 0.034 0.000 1.301 203 K HN -0.137 nan 8.250 nan 0.000 0.433 204 D N 2.898 123.323 120.400 0.042 0.000 2.472 204 D HA 0.039 4.678 4.640 -0.001 0.000 0.248 204 D C -0.166 176.180 176.300 0.076 0.000 1.174 204 D CA 0.507 54.535 54.000 0.046 0.000 0.883 204 D CB 0.126 40.935 40.800 0.015 0.000 1.149 204 D HN 0.297 nan 8.370 nan 0.000 0.488 205 I N 2.590 123.218 120.570 0.097 0.000 2.436 205 I HA 0.077 4.247 4.170 -0.001 0.000 0.289 205 I C 0.399 176.568 176.117 0.086 0.000 1.083 205 I CA 0.260 61.644 61.300 0.139 0.000 1.372 205 I CB 0.226 38.326 38.000 0.166 0.000 1.408 205 I HN 0.155 nan 8.210 nan 0.000 0.516 206 T N 7.597 122.246 114.554 0.159 0.000 2.841 206 T HA 0.699 5.048 4.350 -0.001 0.000 0.285 206 T C -0.296 174.580 174.700 0.293 0.000 0.991 206 T CA -0.493 61.696 62.100 0.149 0.000 0.966 206 T CB 1.441 70.326 68.868 0.028 0.000 0.962 206 T HN 0.479 nan 8.240 nan 0.000 0.438 207 I N -0.454 120.212 120.570 0.160 0.000 2.582 207 I HA 0.704 4.873 4.170 -0.001 0.000 0.292 207 I C -0.883 175.343 176.117 0.183 0.000 1.066 207 I CA -1.119 60.261 61.300 0.133 0.000 1.053 207 I CB 2.080 40.016 38.000 -0.107 0.000 1.241 207 I HN 0.239 nan 8.210 nan 0.000 0.421 208 K N 3.448 123.999 120.400 0.251 0.000 2.221 208 K HA 0.430 4.750 4.320 -0.001 0.000 0.258 208 K C -1.379 175.300 176.600 0.132 0.000 0.944 208 K CA -0.743 55.660 56.287 0.193 0.000 0.823 208 K CB 1.791 34.457 32.500 0.276 0.000 1.113 208 K HN 0.610 nan 8.250 nan 0.000 0.431 209 D N 2.616 123.063 120.400 0.077 0.000 2.492 209 D HA 0.179 4.818 4.640 -0.001 0.000 0.248 209 D C -1.264 175.038 176.300 0.004 0.000 1.101 209 D CA -0.517 53.513 54.000 0.050 0.000 0.840 209 D CB 1.521 42.348 40.800 0.045 0.000 1.209 209 D HN 0.295 nan 8.370 nan 0.000 0.524 210 Q N 2.939 122.734 119.800 -0.008 0.000 2.413 210 Q HA 0.447 4.787 4.340 -0.001 0.000 0.258 210 Q C -0.358 175.600 176.000 -0.071 0.000 1.037 210 Q CA -0.302 55.484 55.803 -0.028 0.000 0.764 210 Q CB 1.826 30.561 28.738 -0.004 0.000 1.217 210 Q HN 0.444 nan 8.270 nan 0.000 0.490 211 I N 2.522 123.044 120.570 -0.081 0.000 2.416 211 I HA 0.068 4.237 4.170 -0.001 0.000 0.288 211 I C 0.687 176.782 176.117 -0.037 0.000 1.051 211 I CA -0.524 60.716 61.300 -0.100 0.000 1.375 211 I CB 0.541 38.501 38.000 -0.067 0.000 1.407 211 I HN 0.397 nan 8.210 nan 0.000 0.516 212 Q N 4.187 123.975 119.800 -0.020 0.000 2.225 212 Q HA 0.382 4.722 4.340 -0.001 0.000 0.177 212 Q C 0.471 176.520 176.000 0.080 0.000 1.073 212 Q CA -0.441 55.379 55.803 0.028 0.000 1.134 212 Q CB 0.378 29.134 28.738 0.030 0.000 1.210 212 Q HN 0.779 nan 8.270 nan 0.000 0.599 213 G N -1.806 107.041 108.800 0.077 0.000 2.599 213 G HA2 0.384 4.344 3.960 -0.001 0.000 0.264 213 G HA3 0.384 4.344 3.960 -0.001 0.000 0.264 213 G C 0.576 175.572 174.900 0.159 0.000 1.200 213 G CA 0.171 45.324 45.100 0.090 0.000 0.896 213 G HN 0.741 nan 8.290 nan 0.000 0.536 214 G N -1.164 107.732 108.800 0.161 0.000 2.179 214 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.260 214 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.260 214 G C 0.258 175.393 174.900 0.390 0.000 0.977 214 G CA 1.004 46.254 45.100 0.250 0.000 0.641 214 G HN 1.389 nan 8.290 nan 0.000 0.533 215 Q N -1.456 118.508 119.800 0.273 0.000 2.418 215 Q HA 0.765 5.105 4.340 -0.001 0.000 0.282 215 Q C -1.308 174.760 176.000 0.113 0.000 1.044 215 Q CA -1.222 54.686 55.803 0.175 0.000 0.813 215 Q CB 1.835 30.668 28.738 0.159 0.000 1.428 215 Q HN 0.180 nan 8.270 nan 0.000 0.402 216 Q N 1.450 121.300 119.800 0.085 0.000 2.323 216 Q HA 0.462 4.802 4.340 -0.001 0.000 0.271 216 Q C -1.816 174.234 176.000 0.083 0.000 1.048 216 Q CA -0.651 55.193 55.803 0.070 0.000 0.792 216 Q CB 2.221 30.991 28.738 0.054 0.000 1.280 216 Q HN 0.843 nan 8.270 nan 0.000 0.441 217 L N 2.984 124.239 121.223 0.054 0.000 2.499 217 L HA 0.255 4.595 4.340 -0.001 0.000 0.273 217 L C -0.680 176.217 176.870 0.045 0.000 1.195 217 L CA 0.490 55.353 54.840 0.039 0.000 0.882 217 L CB 0.529 42.550 42.059 -0.062 0.000 1.133 217 L HN 0.639 nan 8.230 nan 0.000 0.483 218 D N 4.457 124.903 120.400 0.075 0.000 2.414 218 D HA 0.118 4.758 4.640 -0.001 0.000 0.232 218 D C 0.611 176.920 176.300 0.016 0.000 1.070 218 D CA -0.220 53.811 54.000 0.052 0.000 0.839 218 D CB 1.611 42.454 40.800 0.072 0.000 1.079 218 D HN 0.632 nan 8.370 nan 0.000 0.521 219 L N 2.899 124.114 121.223 -0.012 0.000 2.275 219 L HA -0.099 4.241 4.340 -0.001 0.000 0.215 219 L C 1.828 178.683 176.870 -0.025 0.000 1.119 219 L CA 0.904 55.724 54.840 -0.034 0.000 0.790 219 L CB 0.156 42.191 42.059 -0.040 0.000 0.919 219 L HN 0.267 nan 8.230 nan 0.000 0.443 220 S N -1.053 114.637 115.700 -0.017 0.000 2.383 220 S HA -0.162 4.308 4.470 -0.001 0.000 0.227 220 S C 1.813 176.400 174.600 -0.022 0.000 1.026 220 S CA 1.669 59.857 58.200 -0.020 0.000 0.981 220 S CB -0.415 62.773 63.200 -0.021 0.000 0.818 220 S HN 0.713 nan 8.310 nan 0.000 0.472 221 T N 0.092 114.635 114.554 -0.018 0.000 3.088 221 T HA 0.186 4.536 4.350 -0.001 0.000 0.259 221 T C 0.694 175.399 174.700 0.009 0.000 1.122 221 T CA -0.072 62.018 62.100 -0.018 0.000 1.095 221 T CB -0.283 68.561 68.868 -0.040 0.000 0.930 221 T HN 0.161 nan 8.240 nan 0.000 0.508 222 L N 4.513 125.748 121.223 0.020 0.000 2.565 222 L HA 0.267 4.607 4.340 -0.001 0.000 0.275 222 L C -0.261 176.596 176.870 -0.022 0.000 1.137 222 L CA 0.604 55.459 54.840 0.025 0.000 0.915 222 L CB -0.858 41.185 42.059 -0.026 0.000 1.232 222 L HN 0.572 nan 8.230 nan 0.000 0.473 223 N N 5.608 124.298 118.700 -0.017 0.000 2.265 223 N HA 0.539 5.279 4.740 -0.001 0.000 0.300 223 N C -1.192 174.296 175.510 -0.036 0.000 1.148 223 N CA -1.014 52.002 53.050 -0.057 0.000 0.772 223 N CB 2.384 40.852 38.487 -0.031 0.000 1.434 223 N HN 0.255 nan 8.380 nan 0.000 0.481 224 I N 0.967 121.494 120.570 -0.071 0.000 2.433 224 I HA 0.341 4.511 4.170 -0.001 0.000 0.292 224 I C -0.711 175.475 176.117 0.115 0.000 1.001 224 I CA -0.580 60.688 61.300 -0.054 0.000 1.119 224 I CB 1.007 38.837 38.000 -0.283 0.000 1.289 224 I HN 0.677 nan 8.210 nan 0.000 0.438 225 N N 5.362 124.158 118.700 0.159 0.000 2.491 225 N HA 0.452 5.192 4.740 -0.001 0.000 0.274 225 N C -1.323 174.235 175.510 0.080 0.000 1.023 225 N CA -0.284 52.890 53.050 0.208 0.000 0.902 225 N CB 1.555 40.166 38.487 0.206 0.000 1.267 225 N HN 0.318 nan 8.380 nan 0.000 0.503 226 V N 2.544 122.496 119.914 0.064 0.000 2.427 226 V HA 0.623 4.743 4.120 -0.001 0.000 0.286 226 V C 0.000 176.077 176.094 -0.028 0.000 1.034 226 V CA -0.399 61.863 62.300 -0.063 0.000 0.893 226 V CB 1.366 33.203 31.823 0.023 0.000 0.982 226 V HN 0.677 nan 8.190 nan 0.000 0.452 227 T N 2.773 117.266 114.554 -0.102 0.000 2.916 227 T HA 0.850 5.199 4.350 -0.001 0.000 0.298 227 T C 0.393 175.071 174.700 -0.036 0.000 1.031 227 T CA 0.205 62.282 62.100 -0.038 0.000 0.993 227 T CB 1.875 70.719 68.868 -0.039 0.000 1.045 227 T HN 1.299 nan 8.240 nan 0.000 0.454 228 G N 2.033 110.843 108.800 0.017 0.000 2.013 228 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.076 228 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.076 228 G C 1.068 176.005 174.900 0.061 0.000 1.053 228 G CA 0.674 45.801 45.100 0.045 0.000 1.230 228 G HN 0.966 nan 8.290 nan 0.000 0.431 229 T N -0.938 113.680 114.554 0.106 0.000 2.777 229 T HA 0.120 4.469 4.350 -0.001 0.000 0.266 229 T C 1.048 175.737 174.700 -0.018 0.000 1.040 229 T CA 1.883 64.012 62.100 0.048 0.000 1.141 229 T CB -0.273 68.657 68.868 0.103 0.000 0.868 229 T HN 0.587 nan 8.240 nan 0.000 0.444 230 H N 0.771 119.940 119.070 0.165 0.000 2.467 230 H HA 0.646 5.201 4.556 -0.000 0.000 0.326 230 H C -0.704 174.728 175.328 0.174 0.000 1.094 230 H CA -0.286 55.896 56.048 0.223 0.000 1.253 230 H CB 1.252 31.289 29.762 0.457 0.000 1.439 230 H HN 0.127 nan 8.280 nan 0.000 0.479 231 S N 3.179 119.019 115.700 0.234 0.000 2.669 231 S HA 0.395 4.865 4.470 -0.001 0.000 0.315 231 S C -0.515 174.170 174.600 0.142 0.000 1.106 231 S CA -0.791 57.495 58.200 0.143 0.000 1.107 231 S CB 0.201 63.441 63.200 0.067 0.000 0.990 231 S HN 0.700 nan 8.310 nan 0.000 0.471 232 N N 0.998 119.774 118.700 0.127 0.000 2.591 232 N HA 0.515 5.254 4.740 -0.001 0.000 0.263 232 N C -2.076 173.374 175.510 -0.100 0.000 1.308 232 N CA -0.687 52.347 53.050 -0.026 0.000 0.837 232 N CB 1.811 40.284 38.487 -0.023 0.000 1.548 232 N HN 0.533 nan 8.380 nan 0.000 0.493 233 Y N 1.828 121.858 120.300 -0.450 0.000 2.315 233 Y HA 0.452 5.002 4.550 -0.001 0.000 0.324 233 Y C -1.983 173.682 175.900 -0.390 0.000 1.062 233 Y CA -0.695 57.209 58.100 -0.326 0.000 1.159 233 Y CB 0.482 38.861 38.460 -0.135 0.000 1.145 233 Y HN 0.490 nan 8.280 nan 0.000 0.442 234 Y N 3.981 124.060 120.300 -0.368 0.000 2.328 234 Y HA 0.619 5.169 4.550 -0.000 0.000 0.337 234 Y C -0.086 175.475 175.900 -0.564 0.000 0.966 234 Y CA -0.810 57.088 58.100 -0.337 0.000 1.136 234 Y CB 1.755 40.179 38.460 -0.060 0.000 1.170 234 Y HN 0.554 nan 8.280 nan 0.000 0.470 235 S N 1.455 116.923 115.700 -0.386 0.000 2.547 235 S HA 0.861 5.330 4.470 -0.001 0.000 0.281 235 S C -0.259 174.276 174.600 -0.108 0.000 1.118 235 S CA -0.532 57.482 58.200 -0.311 0.000 0.947 235 S CB 1.574 64.530 63.200 -0.407 0.000 1.053 235 S HN 1.573 nan 8.310 nan 0.000 0.482 236 G N 1.500 110.262 108.800 -0.064 0.000 2.850 236 G HA2 0.184 4.144 3.960 -0.001 0.000 0.686 236 G HA3 0.184 4.144 3.960 -0.001 0.000 0.686 236 G C -0.065 174.822 174.900 -0.020 0.000 1.164 236 G CA 0.855 45.937 45.100 -0.031 0.000 0.826 236 G HN 1.588 nan 8.290 nan 0.000 0.586 237 Q N 0.065 119.855 119.800 -0.018 0.000 2.026 237 Q HA -0.373 3.966 4.340 -0.001 0.000 0.307 237 Q C 2.329 178.319 176.000 -0.016 0.000 2.333 237 Q CA 4.522 60.316 55.803 -0.014 0.000 0.744 237 Q CB -1.760 26.974 28.738 -0.007 0.000 1.401 237 Q HN 2.301 nan 8.270 nan 0.000 0.684 238 S N -0.405 115.289 115.700 -0.010 0.000 2.660 238 S HA 0.603 5.072 4.470 -0.001 0.000 0.227 238 S C 1.401 175.993 174.600 -0.013 0.000 0.948 238 S CA 0.702 58.895 58.200 -0.012 0.000 0.948 238 S CB 0.539 63.736 63.200 -0.005 0.000 0.779 238 S HN 0.698 nan 8.310 nan 0.000 0.487 239 A N 2.270 125.084 122.820 -0.010 0.000 1.940 239 A HA -0.024 4.296 4.320 -0.001 0.000 0.219 239 A C 1.873 179.446 177.584 -0.019 0.000 1.176 239 A CA 1.684 53.723 52.037 0.003 0.000 0.631 239 A CB -0.712 18.271 19.000 -0.027 0.000 0.814 239 A HN 0.604 nan 8.150 nan 0.000 0.446 240 I N -0.404 120.149 120.570 -0.029 0.000 2.286 240 I HA -0.145 4.025 4.170 -0.001 0.000 0.245 240 I C 2.466 178.577 176.117 -0.009 0.000 1.104 240 I CA 1.826 63.117 61.300 -0.015 0.000 1.397 240 I CB -0.888 37.093 38.000 -0.031 0.000 1.072 240 I HN 0.182 nan 8.210 nan 0.000 0.417 241 T N 0.007 114.538 114.554 -0.039 0.000 2.777 241 T HA -0.126 4.224 4.350 -0.001 0.000 0.266 241 T C 1.534 176.171 174.700 -0.105 0.000 1.040 241 T CA 1.436 63.502 62.100 -0.057 0.000 1.141 241 T CB -0.315 68.526 68.868 -0.044 0.000 0.868 241 T HN 0.293 nan 8.240 nan 0.000 0.444 242 D N 0.509 120.824 120.400 -0.141 0.000 2.178 242 D HA -0.017 4.623 4.640 -0.001 0.000 0.202 242 D C 1.679 177.631 176.300 -0.579 0.000 0.974 242 D CA 0.644 54.487 54.000 -0.262 0.000 0.841 242 D CB -0.306 40.400 40.800 -0.156 0.000 0.953 242 D HN 0.341 nan 8.370 nan 0.000 0.478 243 F N 1.877 121.379 119.950 -0.746 0.000 2.163 243 F HA -0.056 4.470 4.527 -0.001 0.000 0.297 243 F C 2.113 177.771 175.800 -0.236 0.000 1.094 243 F CA 1.182 58.793 58.000 -0.649 0.000 1.290 243 F CB 0.061 38.831 39.000 -0.384 0.000 1.017 243 F HN -0.155 nan 8.300 nan 0.000 0.483 244 E N -0.122 119.946 120.200 -0.220 0.000 2.152 244 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 244 E C 1.947 178.408 176.600 -0.232 0.000 0.983 244 E CA 1.020 57.279 56.400 -0.235 0.000 0.818 244 E CB -0.070 29.572 29.700 -0.096 0.000 0.758 244 E HN 0.195 nan 8.360 nan 0.000 0.467 245 K N 1.187 121.468 120.400 -0.200 0.000 2.031 245 K HA -0.028 4.292 4.320 -0.001 0.000 0.205 245 K C 1.822 178.304 176.600 -0.197 0.000 1.049 245 K CA 1.362 57.552 56.287 -0.161 0.000 0.939 245 K CB -0.211 32.218 32.500 -0.117 0.000 0.717 245 K HN 0.054 nan 8.250 nan 0.000 0.438 246 A N -0.580 122.100 122.820 -0.234 0.000 2.014 246 A HA 0.119 4.439 4.320 -0.001 0.000 0.218 246 A C 0.336 177.556 177.584 -0.607 0.000 1.163 246 A CA 0.618 52.486 52.037 -0.281 0.000 0.652 246 A CB -0.252 18.685 19.000 -0.104 0.000 0.808 246 A HN 0.257 nan 8.150 nan 0.000 0.449 247 F N 0.402 119.961 119.950 -0.652 0.000 2.363 247 F HA 0.352 4.878 4.527 -0.001 0.000 0.366 247 F C -2.642 172.699 175.800 -0.765 0.000 1.083 247 F CA -2.577 54.817 58.000 -1.010 0.000 1.176 247 F CB 1.258 39.522 39.000 -1.227 0.000 1.432 247 F HN -0.043 nan 8.300 nan 0.000 0.482 248 P HA 0.219 nan 4.420 nan 0.000 0.267 248 P C 0.889 178.150 177.300 -0.065 0.000 1.205 248 P CA 0.871 63.877 63.100 -0.156 0.000 0.765 248 P CB 1.084 32.766 31.700 -0.030 0.000 0.828 249 G N 2.063 110.827 108.800 -0.059 0.000 2.313 249 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.215 249 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.215 249 G C 0.300 175.166 174.900 -0.057 0.000 1.023 249 G CA 0.157 45.247 45.100 -0.016 0.000 0.626 249 G HN 0.789 nan 8.290 nan 0.000 0.503 250 S N 0.479 116.097 115.700 -0.135 0.000 2.548 250 S HA 0.630 5.100 4.470 -0.001 0.000 0.277 250 S C -0.263 174.287 174.600 -0.085 0.000 1.315 250 S CA 0.661 58.774 58.200 -0.144 0.000 1.050 250 S CB 2.054 65.056 63.200 -0.329 0.000 0.918 250 S HN 0.763 nan 8.310 nan 0.000 0.497 251 K N 2.544 122.933 120.400 -0.019 0.000 2.535 251 K HA 0.505 4.825 4.320 -0.001 0.000 0.251 251 K C -1.797 174.808 176.600 0.008 0.000 0.942 251 K CA -0.614 55.669 56.287 -0.007 0.000 0.798 251 K CB 1.246 33.726 32.500 -0.033 0.000 1.267 251 K HN 0.802 nan 8.250 nan 0.000 0.434 252 I N 3.407 123.985 120.570 0.013 0.000 2.382 252 I HA 0.192 4.362 4.170 -0.001 0.000 0.285 252 I C -0.438 175.655 176.117 -0.040 0.000 1.007 252 I CA -0.635 60.652 61.300 -0.022 0.000 1.142 252 I CB 1.999 39.975 38.000 -0.040 0.000 1.289 252 I HN 0.472 nan 8.210 nan 0.000 0.453 253 T N 5.906 120.432 114.554 -0.047 0.000 2.727 253 T HA 0.360 4.709 4.350 -0.001 0.000 0.298 253 T C -0.003 174.657 174.700 -0.066 0.000 0.942 253 T CA -0.390 61.680 62.100 -0.051 0.000 0.997 253 T CB 0.881 69.722 68.868 -0.046 0.000 0.917 253 T HN 0.164 nan 8.240 nan 0.000 0.487 254 V N 3.822 123.693 119.914 -0.071 0.000 2.357 254 V HA 0.343 4.463 4.120 -0.001 0.000 0.284 254 V C -0.242 175.808 176.094 -0.074 0.000 1.018 254 V CA -0.863 61.383 62.300 -0.092 0.000 0.841 254 V CB 1.579 33.337 31.823 -0.108 0.000 0.991 254 V HN 0.751 nan 8.190 nan 0.000 0.437 255 D N 3.655 124.011 120.400 -0.073 0.000 2.392 255 D HA 0.236 4.876 4.640 -0.001 0.000 0.228 255 D C 0.819 177.083 176.300 -0.060 0.000 1.074 255 D CA -0.194 53.772 54.000 -0.056 0.000 0.838 255 D CB 1.406 42.179 40.800 -0.044 0.000 1.067 255 D HN 0.449 nan 8.370 nan 0.000 0.511 256 N N 1.829 120.499 118.700 -0.050 0.000 2.106 256 N HA -0.176 4.564 4.740 -0.001 0.000 0.188 256 N C 1.640 177.132 175.510 -0.030 0.000 1.029 256 N CA 2.321 55.344 53.050 -0.045 0.000 0.848 256 N CB 0.093 38.560 38.487 -0.034 0.000 1.007 256 N HN 0.486 nan 8.380 nan 0.000 0.423 257 T N -2.375 112.166 114.554 -0.022 0.000 2.904 257 T HA -0.022 4.327 4.350 -0.001 0.000 0.267 257 T C 1.837 176.531 174.700 -0.011 0.000 1.059 257 T CA 1.002 63.095 62.100 -0.012 0.000 1.137 257 T CB -0.177 68.685 68.868 -0.009 0.000 0.879 257 T HN 0.145 nan 8.240 nan 0.000 0.467 258 K N 0.701 121.090 120.400 -0.019 0.000 2.379 258 K HA 0.100 4.420 4.320 -0.001 0.000 0.194 258 K C -0.216 176.370 176.600 -0.023 0.000 1.031 258 K CA 0.004 56.281 56.287 -0.017 0.000 1.037 258 K CB 0.127 32.617 32.500 -0.018 0.000 0.824 258 K HN 0.173 nan 8.250 nan 0.000 0.516 259 N N 1.675 120.353 118.700 -0.036 0.000 2.681 259 N HA -0.123 4.616 4.740 -0.001 0.000 0.259 259 N C -1.503 173.966 175.510 -0.068 0.000 1.066 259 N CA 1.274 54.291 53.050 -0.055 0.000 0.717 259 N CB -1.473 36.996 38.487 -0.030 0.000 0.885 259 N HN 0.130 nan 8.380 nan 0.000 0.547 260 T N 0.961 115.469 114.554 -0.077 0.000 2.937 260 T HA 0.624 4.973 4.350 -0.001 0.000 0.297 260 T C 0.499 175.145 174.700 -0.088 0.000 0.991 260 T CA -0.438 61.622 62.100 -0.066 0.000 0.990 260 T CB 1.766 70.612 68.868 -0.036 0.000 0.991 260 T HN 0.140 nan 8.240 nan 0.000 0.440 261 I N 2.946 123.459 120.570 -0.094 0.000 2.406 261 I HA 0.416 4.586 4.170 -0.001 0.000 0.290 261 I C -0.753 175.341 176.117 -0.038 0.000 0.999 261 I CA -0.798 60.441 61.300 -0.100 0.000 1.124 261 I CB 1.638 39.534 38.000 -0.174 0.000 1.289 261 I HN 0.484 nan 8.210 nan 0.000 0.441 262 D N 6.671 127.049 120.400 -0.036 0.000 2.471 262 D HA 0.344 4.983 4.640 -0.001 0.000 0.245 262 D C -0.673 175.613 176.300 -0.024 0.000 1.116 262 D CA -0.173 53.820 54.000 -0.012 0.000 0.853 262 D CB 2.553 43.342 40.800 -0.020 0.000 1.123 262 D HN 0.032 nan 8.370 nan 0.000 0.540 263 V N 2.205 122.111 119.914 -0.013 0.000 2.398 263 V HA 0.475 4.594 4.120 -0.001 0.000 0.286 263 V C 0.241 176.316 176.094 -0.032 0.000 1.026 263 V CA -0.330 61.950 62.300 -0.033 0.000 0.868 263 V CB 1.764 33.553 31.823 -0.056 0.000 0.982 263 V HN 0.454 nan 8.190 nan 0.000 0.443 264 T N 6.413 120.943 114.554 -0.041 0.000 2.840 264 T HA 0.687 5.037 4.350 -0.001 0.000 0.287 264 T C -0.458 174.207 174.700 -0.059 0.000 0.991 264 T CA -0.165 61.908 62.100 -0.046 0.000 0.964 264 T CB 1.034 69.870 68.868 -0.054 0.000 0.954 264 T HN 0.392 nan 8.240 nan 0.000 0.438 265 I N 5.434 125.960 120.570 -0.074 0.000 2.436 265 I HA 0.380 4.550 4.170 -0.001 0.000 0.289 265 I C -2.209 173.906 176.117 -0.004 0.000 1.010 265 I CA -2.816 58.423 61.300 -0.101 0.000 1.098 265 I CB 2.510 40.329 38.000 -0.301 0.000 1.266 265 I HN 0.324 nan 8.210 nan 0.000 0.434 266 P HA 0.011 nan 4.420 nan 0.000 0.269 266 P C -0.136 177.230 177.300 0.110 0.000 1.215 266 P CA -0.209 62.944 63.100 0.088 0.000 0.780 266 P CB 0.602 32.386 31.700 0.141 0.000 0.898 267 Q N 1.346 121.184 119.800 0.064 0.000 2.224 267 Q HA -0.079 4.261 4.340 -0.001 0.000 0.203 267 Q C 1.944 177.943 176.000 -0.001 0.000 0.970 267 Q CA 1.825 57.643 55.803 0.024 0.000 0.865 267 Q CB -1.173 27.554 28.738 -0.018 0.000 0.922 267 Q HN 0.550 nan 8.270 nan 0.000 0.445 268 G N -0.110 108.701 108.800 0.018 0.000 2.408 268 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 268 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 268 G C 0.640 175.514 174.900 -0.044 0.000 1.150 268 G CA 0.608 45.681 45.100 -0.045 0.000 0.776 268 G HN 0.377 nan 8.290 nan 0.000 0.542 269 Y N 0.519 120.913 120.300 0.156 0.000 2.476 269 Y HA 0.220 4.769 4.550 -0.001 0.000 0.283 269 Y C 2.870 178.999 175.900 0.382 0.000 1.109 269 Y CA 0.265 58.527 58.100 0.270 0.000 1.246 269 Y CB -0.124 38.511 38.460 0.291 0.000 1.068 269 Y HN 0.182 nan 8.280 nan 0.000 0.552 270 G N -0.754 108.298 108.800 0.420 0.000 2.509 270 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.218 270 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.218 270 G C 0.599 175.679 174.900 0.301 0.000 1.124 270 G CA 0.306 45.670 45.100 0.440 0.000 0.776 270 G HN 0.172 nan 8.290 nan 0.000 0.547 271 S N -0.022 115.758 115.700 0.133 0.000 2.545 271 S HA 0.384 4.854 4.470 -0.001 0.000 0.275 271 S C -0.111 174.523 174.600 0.056 0.000 1.299 271 S CA -0.487 57.647 58.200 -0.110 0.000 1.048 271 S CB 0.370 63.350 63.200 -0.368 0.000 0.938 271 S HN 0.442 nan 8.310 nan 0.000 0.496 272 Y N 0.039 120.423 120.300 0.141 0.000 4.177 272 Y HA -0.230 4.320 4.550 -0.000 0.000 0.227 272 Y C 0.064 176.002 175.900 0.063 0.000 1.154 272 Y CA 0.090 58.255 58.100 0.109 0.000 1.887 272 Y CB -2.337 36.197 38.460 0.122 0.000 1.594 272 Y HN 0.550 nan 8.280 nan 0.000 0.668 273 N N 0.064 118.814 118.700 0.083 0.000 2.397 273 N HA 0.431 5.171 4.740 -0.001 0.000 0.291 273 N C -0.843 174.450 175.510 -0.362 0.000 1.065 273 N CA -0.270 52.686 53.050 -0.157 0.000 0.884 273 N CB 1.929 40.255 38.487 -0.268 0.000 1.551 273 N HN 0.112 nan 8.380 nan 0.000 0.487 274 S N 1.508 117.000 115.700 -0.346 0.000 2.404 274 S HA 0.516 4.985 4.470 -0.001 0.000 0.309 274 S C -0.469 173.935 174.600 -0.327 0.000 1.076 274 S CA -0.659 57.383 58.200 -0.263 0.000 1.095 274 S CB -0.483 62.636 63.200 -0.136 0.000 0.972 274 S HN 0.284 nan 8.310 nan 0.000 0.484 275 F N 2.250 122.173 119.950 -0.045 0.000 2.411 275 F HA 0.465 4.992 4.527 -0.000 0.000 0.355 275 F C 1.036 176.801 175.800 -0.058 0.000 1.117 275 F CA -0.477 57.491 58.000 -0.054 0.000 1.139 275 F CB 1.467 40.426 39.000 -0.069 0.000 1.120 275 F HN 0.594 nan 8.300 nan 0.000 0.493 276 S N 5.519 121.282 115.700 0.105 0.000 2.532 276 S HA 0.593 5.062 4.470 -0.001 0.000 0.318 276 S C -0.603 174.045 174.600 0.079 0.000 1.083 276 S CA -0.528 57.725 58.200 0.087 0.000 1.131 276 S CB -0.198 63.059 63.200 0.095 0.000 0.973 276 S HN 0.505 nan 8.310 nan 0.000 0.468 277 I N 5.921 126.523 120.570 0.052 0.000 2.330 277 I HA 0.360 4.529 4.170 -0.001 0.000 0.286 277 I C 0.286 176.406 176.117 0.004 0.000 1.025 277 I CA -0.442 60.869 61.300 0.018 0.000 1.197 277 I CB 0.858 38.858 38.000 -0.001 0.000 1.358 277 I HN 0.568 nan 8.210 nan 0.000 0.467 278 N N 7.469 126.121 118.700 -0.080 0.000 2.321 278 N HA 0.462 5.202 4.740 -0.001 0.000 0.299 278 N C -1.676 173.731 175.510 -0.172 0.000 1.048 278 N CA -0.342 52.472 53.050 -0.392 0.000 0.836 278 N CB 2.184 40.236 38.487 -0.725 0.000 1.269 278 N HN 0.489 nan 8.380 nan 0.000 0.486 279 Y N -0.170 119.973 120.300 -0.261 0.000 2.571 279 Y HA 0.511 5.061 4.550 -0.001 0.000 0.341 279 Y C -1.258 174.587 175.900 -0.092 0.000 1.076 279 Y CA -1.115 56.904 58.100 -0.135 0.000 1.029 279 Y CB 1.012 39.435 38.460 -0.063 0.000 1.308 279 Y HN 0.208 nan 8.280 nan 0.000 0.461 280 K N 1.500 121.945 120.400 0.075 0.000 2.130 280 K HA 0.625 4.945 4.320 -0.001 0.000 0.268 280 K C -1.071 175.665 176.600 0.227 0.000 0.983 280 K CA -0.897 55.425 56.287 0.058 0.000 0.893 280 K CB 1.724 34.198 32.500 -0.044 0.000 1.066 280 K HN 0.814 nan 8.250 nan 0.000 0.450 281 T N 2.209 116.904 114.554 0.235 0.000 2.833 281 T HA 0.182 4.531 4.350 -0.001 0.000 0.297 281 T C -0.407 174.369 174.700 0.126 0.000 1.015 281 T CA -0.759 61.486 62.100 0.241 0.000 0.963 281 T CB 0.886 69.953 68.868 0.332 0.000 0.955 281 T HN 0.362 nan 8.240 nan 0.000 0.449 282 K N 3.761 124.251 120.400 0.150 0.000 2.412 282 K HA 0.228 4.547 4.320 -0.001 0.000 0.284 282 K C -0.131 176.421 176.600 -0.081 0.000 1.046 282 K CA -0.333 55.952 56.287 -0.003 0.000 0.999 282 K CB 0.226 32.761 32.500 0.059 0.000 0.941 282 K HN 0.576 nan 8.250 nan 0.000 0.474 283 I N 4.611 125.073 120.570 -0.180 0.000 2.517 283 I HA -0.050 4.120 4.170 -0.001 0.000 0.285 283 I C 1.157 177.279 176.117 0.007 0.000 1.106 283 I CA 0.221 61.464 61.300 -0.094 0.000 1.402 283 I CB 0.891 38.830 38.000 -0.103 0.000 1.399 283 I HN 0.708 nan 8.210 nan 0.000 0.535 284 T N 0.718 115.326 114.554 0.090 0.000 3.215 284 T HA 0.225 4.575 4.350 -0.001 0.000 0.271 284 T C 0.248 175.011 174.700 0.105 0.000 1.012 284 T CA -0.451 61.696 62.100 0.079 0.000 0.899 284 T CB -0.409 68.501 68.868 0.069 0.000 1.089 284 T HN 0.510 nan 8.240 nan 0.000 0.552 285 N N 0.854 119.649 118.700 0.158 0.000 2.969 285 N HA 0.220 4.960 4.740 -0.001 0.000 0.230 285 N C -0.082 175.527 175.510 0.166 0.000 1.397 285 N CA -0.235 52.896 53.050 0.135 0.000 0.762 285 N CB 1.491 40.044 38.487 0.110 0.000 1.495 285 N HN -0.001 nan 8.380 nan 0.000 0.583 286 E N 0.584 120.851 120.200 0.112 0.000 2.338 286 E HA -0.015 4.334 4.350 -0.001 0.000 0.197 286 E C 0.723 177.367 176.600 0.074 0.000 1.007 286 E CA 1.069 57.532 56.400 0.105 0.000 0.849 286 E CB 0.243 29.982 29.700 0.065 0.000 0.774 286 E HN 0.626 nan 8.360 nan 0.000 0.506 287 Q N -0.213 119.614 119.800 0.044 0.000 2.392 287 Q HA 0.057 4.396 4.340 -0.001 0.000 0.203 287 Q C 0.273 176.258 176.000 -0.026 0.000 0.917 287 Q CA -0.097 55.715 55.803 0.014 0.000 0.939 287 Q CB 0.366 29.111 28.738 0.011 0.000 1.063 287 Q HN 0.234 nan 8.270 nan 0.000 0.516 288 Q N 1.028 120.790 119.800 -0.063 0.000 2.337 288 Q HA -0.016 4.323 4.340 -0.001 0.000 0.270 288 Q C 0.426 176.297 176.000 -0.215 0.000 1.002 288 Q CA 0.265 55.949 55.803 -0.199 0.000 0.888 288 Q CB 0.771 29.259 28.738 -0.417 0.000 1.222 288 Q HN 0.051 nan 8.270 nan 0.000 0.400 289 K N 1.957 122.243 120.400 -0.190 0.000 2.062 289 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 289 K C -0.025 176.494 176.600 -0.135 0.000 1.051 289 K CA 1.334 57.550 56.287 -0.119 0.000 0.941 289 K CB 0.192 32.647 32.500 -0.075 0.000 0.719 289 K HN 0.704 nan 8.250 nan 0.000 0.440 290 E N -0.533 119.514 120.200 -0.254 0.000 2.392 290 E HA 0.276 4.626 4.350 -0.001 0.000 0.279 290 E C -1.358 175.038 176.600 -0.339 0.000 0.964 290 E CA -0.808 55.474 56.400 -0.197 0.000 0.777 290 E CB 1.039 30.684 29.700 -0.092 0.000 1.249 290 E HN -0.192 nan 8.360 nan 0.000 0.449 291 F N 1.034 121.036 119.950 0.086 0.000 2.444 291 F HA 0.395 4.922 4.527 -0.000 0.000 0.342 291 F C 0.049 176.033 175.800 0.307 0.000 1.121 291 F CA -0.750 57.373 58.000 0.205 0.000 0.997 291 F CB 2.043 41.222 39.000 0.299 0.000 1.130 291 F HN 0.364 nan 8.300 nan 0.000 0.454 292 V N 1.011 121.124 119.914 0.333 0.000 2.732 292 V HA 0.602 4.721 4.120 -0.001 0.000 0.310 292 V C -0.757 175.296 176.094 -0.069 0.000 1.053 292 V CA -0.837 61.568 62.300 0.174 0.000 0.957 292 V CB 1.825 33.686 31.823 0.063 0.000 1.018 292 V HN 0.875 nan 8.190 nan 0.000 0.452 293 N N 1.596 120.136 118.700 -0.267 0.000 2.455 293 N HA 0.407 5.146 4.740 -0.001 0.000 0.285 293 N C -1.357 174.031 175.510 -0.203 0.000 1.080 293 N CA -0.566 52.176 53.050 -0.513 0.000 0.932 293 N CB 1.739 39.321 38.487 -1.507 0.000 1.610 293 N HN 0.968 nan 8.380 nan 0.000 0.493 294 N N 0.641 119.281 118.700 -0.100 0.000 2.443 294 N HA 0.548 5.287 4.740 -0.001 0.000 0.293 294 N C -1.383 174.166 175.510 0.066 0.000 1.159 294 N CA -0.518 52.540 53.050 0.013 0.000 0.904 294 N CB 1.909 40.406 38.487 0.016 0.000 1.214 294 N HN 0.208 nan 8.380 nan 0.000 0.513 295 S N 0.562 116.352 115.700 0.150 0.000 2.541 295 S HA 0.367 4.837 4.470 -0.001 0.000 0.271 295 S C -1.582 173.146 174.600 0.213 0.000 1.133 295 S CA -0.667 57.661 58.200 0.214 0.000 0.876 295 S CB 1.881 65.289 63.200 0.347 0.000 1.105 295 S HN 0.432 nan 8.310 nan 0.000 0.470 296 Q N 1.294 121.159 119.800 0.110 0.000 2.310 296 Q HA 0.749 5.088 4.340 -0.001 0.000 0.270 296 Q C -0.839 174.982 176.000 -0.299 0.000 1.025 296 Q CA -0.296 55.434 55.803 -0.122 0.000 0.772 296 Q CB 1.942 30.503 28.738 -0.295 0.000 1.253 296 Q HN 0.758 nan 8.270 nan 0.000 0.450 297 A N 2.367 125.017 122.820 -0.284 0.000 2.312 297 A HA 0.758 5.078 4.320 -0.001 0.000 0.328 297 A C -1.218 176.120 177.584 -0.411 0.000 1.158 297 A CA -0.486 51.382 52.037 -0.281 0.000 0.821 297 A CB 0.899 19.790 19.000 -0.181 0.000 1.170 297 A HN 0.717 nan 8.150 nan 0.000 0.490 298 W N 3.052 124.355 121.300 0.005 0.000 2.516 298 W HA 0.427 5.087 4.660 -0.001 0.000 0.293 298 W C -1.515 175.016 176.519 0.019 0.000 1.006 298 W CA -0.267 57.057 57.345 -0.036 0.000 1.483 298 W CB 1.022 30.462 29.460 -0.033 0.000 1.316 298 W HN 0.788 nan 8.180 nan 0.000 0.411 299 Y N -0.080 120.228 120.300 0.013 0.000 2.534 299 Y HA 0.606 5.155 4.550 -0.000 0.000 0.345 299 Y C -0.993 174.806 175.900 -0.169 0.000 1.031 299 Y CA -1.641 56.392 58.100 -0.111 0.000 1.022 299 Y CB 1.595 39.874 38.460 -0.302 0.000 1.292 299 Y HN 0.170 nan 8.280 nan 0.000 0.459 300 Q N 2.354 122.145 119.800 -0.015 0.000 2.454 300 Q HA 0.284 4.624 4.340 -0.001 0.000 0.255 300 Q C -1.447 174.543 176.000 -0.016 0.000 1.034 300 Q CA -0.443 55.326 55.803 -0.057 0.000 0.736 300 Q CB 1.320 30.037 28.738 -0.036 0.000 1.210 300 Q HN 0.780 nan 8.270 nan 0.000 0.500 301 E N 3.086 123.267 120.200 -0.032 0.000 2.223 301 E HA 0.016 4.366 4.350 -0.001 0.000 0.282 301 E C -0.658 176.019 176.600 0.129 0.000 1.046 301 E CA -0.489 55.930 56.400 0.031 0.000 0.857 301 E CB 0.522 30.219 29.700 -0.005 0.000 1.055 301 E HN 0.610 nan 8.360 nan 0.000 0.409 302 H N 3.538 122.695 119.070 0.145 0.000 3.070 302 H HA -0.016 4.540 4.556 -0.000 0.000 0.313 302 H C 1.033 176.433 175.328 0.121 0.000 0.997 302 H CA 2.045 58.197 56.048 0.174 0.000 1.438 302 H CB 0.784 30.745 29.762 0.333 0.000 1.455 302 H HN 0.914 nan 8.280 nan 0.000 0.575 303 G N 4.625 113.532 108.800 0.178 0.000 2.420 303 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.221 303 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.221 303 G C 0.492 175.440 174.900 0.081 0.000 1.117 303 G CA 0.325 45.526 45.100 0.168 0.000 0.657 303 G HN 0.587 nan 8.290 nan 0.000 0.512 304 K N 0.678 121.126 120.400 0.080 0.000 2.399 304 K HA 0.546 4.865 4.320 -0.001 0.000 0.247 304 K C 0.113 176.720 176.600 0.012 0.000 1.036 304 K CA -0.782 55.539 56.287 0.057 0.000 0.977 304 K CB 0.539 33.093 32.500 0.089 0.000 1.272 304 K HN 0.182 nan 8.250 nan 0.000 0.501 305 E N 1.930 122.132 120.200 0.004 0.000 2.390 305 E HA -0.012 4.337 4.350 -0.001 0.000 0.261 305 E C -0.471 176.075 176.600 -0.090 0.000 1.076 305 E CA 0.117 56.497 56.400 -0.035 0.000 0.905 305 E CB 0.739 30.424 29.700 -0.026 0.000 0.984 305 E HN 0.406 nan 8.360 nan 0.000 0.427 306 E N 1.029 121.165 120.200 -0.107 0.000 2.338 306 E HA 0.208 4.558 4.350 -0.001 0.000 0.272 306 E C -1.060 175.402 176.600 -0.230 0.000 1.029 306 E CA -0.378 55.927 56.400 -0.158 0.000 0.872 306 E CB 0.904 30.546 29.700 -0.095 0.000 1.015 306 E HN 0.065 nan 8.360 nan 0.000 0.417 307 V N 5.388 125.055 119.914 -0.411 0.000 2.384 307 V HA 0.299 4.419 4.120 -0.001 0.000 0.287 307 V C -0.575 175.311 176.094 -0.347 0.000 1.020 307 V CA -0.891 61.124 62.300 -0.475 0.000 0.850 307 V CB 1.563 32.825 31.823 -0.935 0.000 0.987 307 V HN 0.630 nan 8.190 nan 0.000 0.436 308 N N 3.820 122.367 118.700 -0.255 0.000 2.573 308 N HA 0.402 5.141 4.740 -0.001 0.000 0.262 308 N C 0.708 175.950 175.510 -0.448 0.000 1.029 308 N CA 0.223 53.142 53.050 -0.219 0.000 0.882 308 N CB 1.780 40.304 38.487 0.061 0.000 1.204 308 N HN 1.039 nan 8.380 nan 0.000 0.519 309 G N 1.491 109.559 108.800 -1.220 0.000 2.273 309 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.280 309 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.280 309 G C 0.166 174.772 174.900 -0.490 0.000 1.047 309 G CA 0.286 44.729 45.100 -1.094 0.000 0.869 309 G HN 0.557 nan 8.290 nan 0.000 0.502 310 K N 0.358 120.543 120.400 -0.358 0.000 2.218 310 K HA 0.445 4.765 4.320 -0.001 0.000 0.276 310 K C 0.512 177.017 176.600 -0.158 0.000 1.022 310 K CA -0.336 55.824 56.287 -0.210 0.000 0.946 310 K CB 0.328 32.731 32.500 -0.161 0.000 1.000 310 K HN 0.114 nan 8.250 nan 0.000 0.468 311 S N 3.829 119.398 115.700 -0.219 0.000 2.455 311 S HA 0.194 4.663 4.470 -0.001 0.000 0.278 311 S C -0.766 173.693 174.600 -0.236 0.000 1.216 311 S CA -0.254 57.869 58.200 -0.128 0.000 1.055 311 S CB -0.132 63.010 63.200 -0.097 0.000 0.939 311 S HN 0.374 nan 8.310 nan 0.000 0.494 312 F N 3.593 123.609 119.950 0.111 0.000 2.366 312 F HA 0.371 4.898 4.527 -0.000 0.000 0.357 312 F C 0.298 176.191 175.800 0.155 0.000 1.107 312 F CA -0.921 57.184 58.000 0.176 0.000 1.208 312 F CB 0.453 39.646 39.000 0.320 0.000 1.464 312 F HN 0.346 nan 8.300 nan 0.000 0.501 313 N N 1.164 119.995 118.700 0.219 0.000 2.456 313 N HA 0.362 5.102 4.740 -0.001 0.000 0.296 313 N C -1.087 174.585 175.510 0.269 0.000 1.102 313 N CA -0.663 52.499 53.050 0.188 0.000 0.924 313 N CB 1.306 39.849 38.487 0.093 0.000 1.186 313 N HN 0.496 nan 8.380 nan 0.000 0.492 314 H N -1.246 117.931 119.070 0.179 0.000 2.961 314 H HA 0.593 5.149 4.556 -0.000 0.000 0.371 314 H C -1.265 174.275 175.328 0.353 0.000 1.190 314 H CA -0.358 55.856 56.048 0.276 0.000 1.138 314 H CB 1.437 31.438 29.762 0.398 0.000 1.816 314 H HN 0.393 nan 8.280 nan 0.000 0.551 315 T N 3.148 117.576 114.554 -0.209 0.000 2.861 315 T HA 0.446 4.795 4.350 -0.001 0.000 0.287 315 T C -1.019 173.560 174.700 -0.201 0.000 1.003 315 T CA -0.706 61.375 62.100 -0.032 0.000 0.977 315 T CB 1.367 70.136 68.868 -0.165 0.000 0.996 315 T HN 0.312 nan 8.240 nan 0.000 0.448 316 V N 4.108 124.024 119.914 0.003 0.000 2.417 316 V HA 0.339 4.459 4.120 -0.001 0.000 0.291 316 V C -0.003 176.030 176.094 -0.101 0.000 1.024 316 V CA -0.986 61.239 62.300 -0.124 0.000 0.861 316 V CB 1.063 32.765 31.823 -0.203 0.000 0.985 316 V HN 0.856 nan 8.190 nan 0.000 0.436 317 H N 3.035 122.133 119.070 0.046 0.000 2.582 317 H HA 0.253 4.808 4.556 -0.001 0.000 0.345 317 H C -0.062 175.285 175.328 0.033 0.000 1.104 317 H CA -0.272 55.791 56.048 0.025 0.000 1.390 317 H CB 1.120 30.871 29.762 -0.020 0.000 1.461 317 H HN 0.585 nan 8.280 nan 0.000 0.551 318 N N 1.267 120.056 118.700 0.147 0.000 2.434 318 N HA 0.139 4.879 4.740 -0.001 0.000 0.266 318 N C -0.663 174.839 175.510 -0.014 0.000 1.223 318 N CA -0.504 52.614 53.050 0.114 0.000 0.972 318 N CB 0.674 39.240 38.487 0.131 0.000 1.207 318 N HN 0.345 nan 8.380 nan 0.000 0.525 319 I N 2.021 122.559 120.570 -0.054 0.000 2.354 319 I HA 0.305 4.475 4.170 -0.001 0.000 0.292 319 I C -0.512 175.588 176.117 -0.029 0.000 0.989 319 I CA -0.614 60.605 61.300 -0.135 0.000 1.188 319 I CB 0.820 38.668 38.000 -0.253 0.000 1.342 319 I HN 0.412 nan 8.210 nan 0.000 0.457 320 N N 5.451 124.142 118.700 -0.015 0.000 2.446 320 N HA 0.619 5.359 4.740 -0.001 0.000 0.265 320 N C -0.661 174.890 175.510 0.069 0.000 0.975 320 N CA -0.326 52.742 53.050 0.029 0.000 0.928 320 N CB 2.524 41.027 38.487 0.026 0.000 1.160 320 N HN 0.693 nan 8.380 nan 0.000 0.495 321 A N 2.747 125.619 122.820 0.086 0.000 2.343 321 A HA 0.626 4.945 4.320 -0.001 0.000 0.308 321 A C -0.734 176.906 177.584 0.094 0.000 1.092 321 A CA -0.829 51.285 52.037 0.129 0.000 0.751 321 A CB 0.993 20.076 19.000 0.138 0.000 1.203 321 A HN 0.584 nan 8.150 nan 0.000 0.452 322 N N 0.414 119.173 118.700 0.098 0.000 2.229 322 N HA 0.773 5.512 4.740 -0.001 0.000 0.298 322 N C -1.050 174.362 175.510 -0.165 0.000 1.114 322 N CA -0.278 52.785 53.050 0.023 0.000 0.776 322 N CB 2.365 40.933 38.487 0.135 0.000 1.501 322 N HN 0.930 nan 8.380 nan 0.000 0.474 323 A N 0.155 122.803 122.820 -0.286 0.000 2.465 323 A HA 0.785 5.104 4.320 -0.001 0.000 0.292 323 A C -0.603 176.732 177.584 -0.415 0.000 1.041 323 A CA -0.637 51.118 52.037 -0.469 0.000 0.718 323 A CB 1.321 20.203 19.000 -0.195 0.000 1.266 323 A HN 0.649 nan 8.150 nan 0.000 0.403 324 G N 0.862 109.289 108.800 -0.621 0.000 2.662 324 G HA2 0.599 4.559 3.960 -0.001 0.000 0.302 324 G HA3 0.599 4.559 3.960 -0.001 0.000 0.302 324 G C -1.356 173.593 174.900 0.082 0.000 1.389 324 G CA -0.379 44.674 45.100 -0.078 0.000 0.998 324 G HN 0.943 nan 8.290 nan 0.000 0.502 325 I N 0.512 121.158 120.570 0.126 0.000 2.530 325 I HA 0.632 4.801 4.170 -0.001 0.000 0.297 325 I C -0.740 175.448 176.117 0.119 0.000 1.011 325 I CA -0.910 60.485 61.300 0.159 0.000 1.107 325 I CB 2.270 40.427 38.000 0.263 0.000 1.285 325 I HN 0.495 nan 8.210 nan 0.000 0.436 326 E N 5.245 125.493 120.200 0.079 0.000 2.216 326 E HA 0.644 4.994 4.350 -0.001 0.000 0.260 326 E C -1.165 175.465 176.600 0.050 0.000 0.880 326 E CA -0.644 55.789 56.400 0.055 0.000 0.765 326 E CB 1.743 31.460 29.700 0.028 0.000 1.174 326 E HN 0.814 nan 8.360 nan 0.000 0.417 327 G N 1.889 110.722 108.800 0.055 0.000 2.642 327 G HA2 0.625 4.584 3.960 -0.001 0.000 0.293 327 G HA3 0.625 4.584 3.960 -0.001 0.000 0.293 327 G C -1.077 173.845 174.900 0.037 0.000 1.341 327 G CA -0.476 44.654 45.100 0.050 0.000 0.916 327 G HN 0.373 nan 8.290 nan 0.000 0.474 328 T N -0.005 114.567 114.554 0.030 0.000 2.912 328 T HA 0.548 4.897 4.350 -0.001 0.000 0.299 328 T C 0.444 175.157 174.700 0.022 0.000 1.052 328 T CA -0.461 61.653 62.100 0.023 0.000 0.996 328 T CB 1.881 70.759 68.868 0.016 0.000 1.070 328 T HN 0.461 nan 8.240 nan 0.000 0.465 329 V N 0.000 119.926 119.914 0.020 0.000 2.409 329 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 329 V CA 0.000 62.311 62.300 0.018 0.000 1.235 329 V CB 0.000 31.833 31.823 0.016 0.000 1.184 329 V HN 0.000 nan 8.190 nan 0.000 0.556