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 1g5h_1_B DATA FIRST_RESID 40 DATA SEQUENCE REALVDLCRR RHFLSGTPQQ LSTAALLSGC HARFGPLGVE LRKNLASQWW DATA SEQUENCE SSXVVFREQV FAVDSLHQEP GXXXXRDSAF RLVSPESIRE ILQDREPSKE DATA SEQUENCE QLVAFLENLL KTSGKLRATL LHGALEHYVN CLDLVNRKLP FGLAQIGVCF DATA SEQUENCE HPVSXXXXXX XXXXRVGEKT EASLVWFTPT RTSSQWLDFW LRHRLLWWRK DATA SEQUENCE FAXSPSNFSS ADCQDELGRK GSKLYYSFPW GKEPIETLWN LGDQELLHTY DATA SEQUENCE PGNVSTIQGR DGRKNVVPCV LSVSGDVDLG TLAYLYDSFQ LAEXXXXXXX DATA SEQUENCE XXXRKVLKLH PCLAPIKVAL DVGKGPTVEL RQVCQGLLNE LLENGISVWP DATA SEQUENCE GYSETVHSSL EQLHSKYDEX SVLFSVLVTE TTLENGLIQL RSRDTTXKEX DATA SEQUENCE XHISKLRDFL VKYLASASNV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.300 176.300 0.000 0.000 0.893 40 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 40 R CB 0.000 30.289 30.300 -0.019 0.000 0.687 41 E N 2.770 122.973 120.200 0.006 0.000 2.608 41 E HA -0.083 4.267 4.350 -0.000 0.000 0.259 41 E C 0.503 177.082 176.600 -0.036 0.000 0.951 41 E CA 1.024 57.434 56.400 0.015 0.000 0.945 41 E CB 1.187 30.918 29.700 0.052 0.000 0.916 41 E HN 0.695 nan 8.360 nan 0.000 0.477 42 A N 6.051 128.856 122.820 -0.025 0.000 1.902 42 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 42 A C 2.017 179.420 177.584 -0.301 0.000 1.181 42 A CA 1.092 53.100 52.037 -0.049 0.000 0.623 42 A CB -0.301 18.781 19.000 0.136 0.000 0.818 42 A HN 0.700 nan 8.150 nan 0.000 0.443 43 L N 0.109 120.962 121.223 -0.617 0.000 2.027 43 L HA -0.083 4.256 4.340 -0.000 0.000 0.206 43 L C 2.343 178.902 176.870 -0.518 0.000 1.074 43 L CA 2.111 56.352 54.840 -0.998 0.000 0.745 43 L CB -0.874 40.477 42.059 -1.179 0.000 0.898 43 L HN 0.249 nan 8.230 nan 0.000 0.433 44 V N 0.557 120.274 119.914 -0.329 0.000 2.453 44 V HA -0.252 3.867 4.120 -0.000 0.000 0.247 44 V C 2.376 178.393 176.094 -0.128 0.000 1.048 44 V CA 1.793 63.979 62.300 -0.190 0.000 1.049 44 V CB -0.557 31.216 31.823 -0.082 0.000 0.672 44 V HN 0.476 nan 8.190 nan 0.000 0.457 45 D N 0.230 120.562 120.400 -0.114 0.000 2.106 45 D HA -0.242 4.398 4.640 -0.000 0.000 0.191 45 D C 2.136 178.395 176.300 -0.069 0.000 0.997 45 D CA 1.894 55.850 54.000 -0.074 0.000 0.834 45 D CB -0.172 40.599 40.800 -0.048 0.000 0.956 45 D HN 0.377 nan 8.370 nan 0.000 0.448 46 L N -0.325 120.847 121.223 -0.085 0.000 2.046 46 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 46 L C 2.216 179.082 176.870 -0.007 0.000 1.077 46 L CA 1.384 56.202 54.840 -0.037 0.000 0.747 46 L CB -0.341 41.702 42.059 -0.027 0.000 0.896 46 L HN 0.267 nan 8.230 nan 0.000 0.432 47 C N -0.238 119.031 119.300 -0.052 0.000 2.425 47 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 47 C C 2.870 177.913 174.990 0.089 0.000 1.280 47 C CA 1.060 60.114 59.018 0.059 0.000 1.744 47 C CB -0.996 26.716 27.740 -0.046 0.000 1.989 47 C HN 0.578 nan 8.230 nan 0.000 0.491 48 R N 1.206 121.699 120.500 -0.012 0.000 2.073 48 R HA -0.007 4.333 4.340 -0.000 0.000 0.229 48 R C 2.322 178.503 176.300 -0.198 0.000 1.120 48 R CA 1.468 57.528 56.100 -0.067 0.000 0.967 48 R CB -0.525 29.739 30.300 -0.060 0.000 0.862 48 R HN 0.476 nan 8.270 nan 0.000 0.436 49 R N -0.344 120.072 120.500 -0.141 0.000 2.096 49 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 49 R C 1.425 177.585 176.300 -0.234 0.000 1.127 49 R CA 1.206 57.202 56.100 -0.173 0.000 0.968 49 R CB -0.106 30.153 30.300 -0.067 0.000 0.861 49 R HN 0.025 nan 8.270 nan 0.000 0.440 50 R N -0.062 120.379 120.500 -0.098 0.000 2.334 50 R HA 0.081 4.420 4.340 -0.000 0.000 0.220 50 R C -0.252 176.040 176.300 -0.014 0.000 0.917 50 R CA 0.045 56.139 56.100 -0.010 0.000 1.073 50 R CB -0.461 29.921 30.300 0.137 0.000 1.056 50 R HN 0.365 nan 8.270 nan 0.000 0.506 51 H N -1.489 117.600 119.070 0.031 0.000 2.936 51 H HA -0.180 4.376 4.556 -0.000 0.000 0.276 51 H C 0.553 175.872 175.328 -0.015 0.000 1.216 51 H CA 0.805 56.855 56.048 0.003 0.000 1.132 51 H CB -1.865 27.875 29.762 -0.037 0.000 1.303 51 H HN 0.191 nan 8.280 nan 0.000 0.370 52 F N 0.160 120.176 119.950 0.111 0.000 2.270 52 F HA 0.130 4.656 4.527 -0.000 0.000 0.295 52 F C 1.763 177.700 175.800 0.229 0.000 1.087 52 F CA 0.874 58.963 58.000 0.148 0.000 1.365 52 F CB 0.446 39.507 39.000 0.102 0.000 1.056 52 F HN -0.025 nan 8.300 nan 0.000 0.506 53 L N -0.561 120.856 121.223 0.324 0.000 2.330 53 L HA 0.428 4.767 4.340 -0.000 0.000 0.271 53 L C 0.259 177.214 176.870 0.142 0.000 1.013 53 L CA -0.749 54.212 54.840 0.202 0.000 0.816 53 L CB 1.778 43.903 42.059 0.111 0.000 1.287 53 L HN -0.067 nan 8.230 nan 0.000 0.435 54 S N -0.077 115.693 115.700 0.116 0.000 2.801 54 S HA 0.991 5.461 4.470 -0.000 0.000 0.312 54 S C -0.080 174.580 174.600 0.101 0.000 1.112 54 S CA -0.228 58.045 58.200 0.122 0.000 0.943 54 S CB 1.910 65.188 63.200 0.131 0.000 1.269 54 S HN 1.188 nan 8.310 nan 0.000 0.558 55 G N 0.044 108.892 108.800 0.080 0.000 2.541 55 G HA2 0.267 4.227 3.960 -0.000 0.000 0.686 55 G HA3 0.267 4.227 3.960 -0.000 0.000 0.686 55 G C -0.286 174.591 174.900 -0.040 0.000 1.286 55 G CA -0.422 44.683 45.100 0.009 0.000 0.894 55 G HN 1.676 nan 8.290 nan 0.000 0.575 56 T N -1.128 113.369 114.554 -0.094 0.000 2.874 56 T HA 0.660 5.010 4.350 -0.000 0.000 0.281 56 T C -1.102 173.543 174.700 -0.091 0.000 0.994 56 T CA -0.715 61.340 62.100 -0.075 0.000 1.015 56 T CB 1.845 70.667 68.868 -0.077 0.000 1.028 56 T HN 0.292 nan 8.240 nan 0.000 0.523 57 P HA -0.094 nan 4.420 nan 0.000 0.216 57 P C 1.696 178.944 177.300 -0.085 0.000 1.150 57 P CA 1.083 64.144 63.100 -0.066 0.000 0.837 57 P CB 0.038 31.709 31.700 -0.048 0.000 0.786 58 Q N -0.796 118.947 119.800 -0.094 0.000 2.291 58 Q HA -0.146 4.194 4.340 -0.000 0.000 0.205 58 Q C 1.741 177.651 176.000 -0.151 0.000 0.970 58 Q CA 1.008 56.749 55.803 -0.104 0.000 0.876 58 Q CB -0.237 28.447 28.738 -0.090 0.000 0.935 58 Q HN 0.477 nan 8.270 nan 0.000 0.455 59 Q N -0.200 119.469 119.800 -0.218 0.000 2.444 59 Q HA 0.053 4.393 4.340 -0.000 0.000 0.206 59 Q C 1.010 176.863 176.000 -0.244 0.000 0.948 59 Q CA 0.147 55.724 55.803 -0.378 0.000 0.946 59 Q CB 0.388 28.667 28.738 -0.766 0.000 1.027 59 Q HN 0.328 nan 8.270 nan 0.000 0.513 60 L N 0.458 121.598 121.223 -0.137 0.000 2.628 60 L HA 0.146 4.486 4.340 -0.000 0.000 0.229 60 L C 0.741 177.561 176.870 -0.084 0.000 1.137 60 L CA -0.407 54.387 54.840 -0.076 0.000 0.909 60 L CB 0.124 42.147 42.059 -0.059 0.000 1.137 60 L HN 0.060 nan 8.230 nan 0.000 0.470 61 S N -1.754 113.878 115.700 -0.112 0.000 2.585 61 S HA 0.081 4.551 4.470 -0.000 0.000 0.273 61 S C 1.322 175.802 174.600 -0.199 0.000 1.339 61 S CA -0.270 57.845 58.200 -0.142 0.000 1.028 61 S CB 1.314 64.430 63.200 -0.139 0.000 0.906 61 S HN 0.138 nan 8.310 nan 0.000 0.528 62 T N 2.592 116.954 114.554 -0.320 0.000 2.653 62 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 62 T C 2.156 176.586 174.700 -0.450 0.000 1.035 62 T CA 1.987 63.738 62.100 -0.581 0.000 1.154 62 T CB -1.012 67.268 68.868 -0.981 0.000 0.862 62 T HN 0.880 nan 8.240 nan 0.000 0.441 63 A N 1.211 123.835 122.820 -0.326 0.000 1.933 63 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 63 A C 2.631 180.130 177.584 -0.141 0.000 1.175 63 A CA 1.864 53.769 52.037 -0.220 0.000 0.628 63 A CB -1.037 17.867 19.000 -0.160 0.000 0.814 63 A HN 0.530 nan 8.150 nan 0.000 0.444 64 A N -0.254 122.497 122.820 -0.115 0.000 1.898 64 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 64 A C 2.125 179.736 177.584 0.045 0.000 1.181 64 A CA 1.329 53.349 52.037 -0.029 0.000 0.620 64 A CB -0.590 18.367 19.000 -0.071 0.000 0.819 64 A HN 0.456 nan 8.150 nan 0.000 0.442 65 L N -0.681 120.532 121.223 -0.016 0.000 2.127 65 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 65 L C 2.346 179.159 176.870 -0.095 0.000 1.089 65 L CA 0.959 55.776 54.840 -0.039 0.000 0.757 65 L CB -0.436 41.589 42.059 -0.057 0.000 0.899 65 L HN 0.368 nan 8.230 nan 0.000 0.434 66 L N -0.934 120.213 121.223 -0.127 0.000 2.341 66 L HA -0.068 4.272 4.340 -0.000 0.000 0.214 66 L C 2.750 179.579 176.870 -0.069 0.000 1.115 66 L CA 0.869 55.647 54.840 -0.103 0.000 0.820 66 L CB -0.304 41.678 42.059 -0.128 0.000 0.944 66 L HN 0.333 nan 8.230 nan 0.000 0.452 67 S N -0.357 115.309 115.700 -0.057 0.000 2.406 67 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 67 S C 1.709 176.293 174.600 -0.027 0.000 1.020 67 S CA 0.687 58.868 58.200 -0.031 0.000 0.965 67 S CB -0.178 63.013 63.200 -0.014 0.000 0.798 67 S HN 0.493 nan 8.310 nan 0.000 0.488 68 G N -0.155 108.609 108.800 -0.060 0.000 2.143 68 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.248 68 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.248 68 G C 0.505 175.368 174.900 -0.061 0.000 0.991 68 G CA 0.171 45.219 45.100 -0.088 0.000 0.689 68 G HN 0.646 nan 8.290 nan 0.000 0.522 69 C N 1.491 120.785 119.300 -0.009 0.000 2.697 69 C HA 0.422 4.882 4.460 -0.000 0.000 0.267 69 C C 0.973 176.019 174.990 0.094 0.000 1.278 69 C CA 0.349 59.388 59.018 0.036 0.000 1.708 69 C CB -1.477 26.288 27.740 0.042 0.000 1.860 69 C HN 0.754 nan 8.230 nan 0.000 0.589 70 H N -1.876 117.163 119.070 -0.052 0.000 2.980 70 H HA 0.595 5.151 4.556 -0.000 0.000 0.367 70 H C -0.848 174.442 175.328 -0.064 0.000 1.206 70 H CA -0.730 55.288 56.048 -0.049 0.000 1.126 70 H CB 1.364 31.093 29.762 -0.055 0.000 1.838 70 H HN -0.061 nan 8.280 nan 0.000 0.552 71 A N 2.428 125.192 122.820 -0.093 0.000 2.444 71 A HA 0.180 4.500 4.320 -0.000 0.000 0.287 71 A C 1.070 178.489 177.584 -0.276 0.000 1.195 71 A CA -0.450 51.498 52.037 -0.149 0.000 0.858 71 A CB -0.281 18.715 19.000 -0.007 0.000 1.117 71 A HN 0.769 nan 8.150 nan 0.000 0.521 72 R N 1.436 121.588 120.500 -0.580 0.000 2.193 72 R HA 0.069 4.409 4.340 -0.000 0.000 0.213 72 R C -0.677 175.309 176.300 -0.524 0.000 1.055 72 R CA 0.713 56.366 56.100 -0.745 0.000 0.995 72 R CB 0.084 29.701 30.300 -1.137 0.000 0.893 72 R HN 0.656 nan 8.270 nan 0.000 0.459 73 F N -0.243 119.723 119.950 0.027 0.000 2.450 73 F HA 0.465 4.992 4.527 -0.000 0.000 0.332 73 F C 1.119 176.970 175.800 0.085 0.000 1.093 73 F CA -1.187 56.860 58.000 0.077 0.000 1.003 73 F CB 1.254 40.297 39.000 0.072 0.000 1.151 73 F HN -0.104 nan 8.300 nan 0.000 0.474 74 G N 1.766 110.748 108.800 0.304 0.000 2.568 74 G HA2 0.414 4.374 3.960 -0.000 0.000 0.293 74 G HA3 0.414 4.374 3.960 -0.000 0.000 0.293 74 G C -2.115 172.879 174.900 0.155 0.000 1.347 74 G CA -1.431 43.800 45.100 0.217 0.000 1.039 74 G HN 0.371 nan 8.290 nan 0.000 0.523 75 P HA -0.073 nan 4.420 nan 0.000 0.216 75 P C 2.002 179.285 177.300 -0.028 0.000 1.150 75 P CA 0.621 63.737 63.100 0.027 0.000 0.837 75 P CB 0.143 31.845 31.700 0.003 0.000 0.786 76 L N -0.903 120.241 121.223 -0.131 0.000 2.093 76 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 76 L C 2.569 179.332 176.870 -0.178 0.000 1.085 76 L CA 2.104 56.722 54.840 -0.370 0.000 0.755 76 L CB -1.759 39.660 42.059 -1.066 0.000 0.904 76 L HN 0.007 nan 8.230 nan 0.000 0.435 77 G N -1.385 107.441 108.800 0.042 0.000 2.403 77 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 77 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 77 G C 1.597 176.443 174.900 -0.090 0.000 1.154 77 G CA 0.858 46.063 45.100 0.175 0.000 0.784 77 G HN 0.234 nan 8.290 nan 0.000 0.538 78 V N 0.751 120.666 119.914 0.001 0.000 2.427 78 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 78 V C 2.766 178.823 176.094 -0.062 0.000 1.051 78 V CA 1.784 64.061 62.300 -0.038 0.000 1.048 78 V CB -0.238 31.610 31.823 0.041 0.000 0.666 78 V HN 0.308 nan 8.190 nan 0.000 0.456 79 E N -0.062 120.116 120.200 -0.038 0.000 2.072 79 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 79 E C 2.152 178.731 176.600 -0.036 0.000 0.985 79 E CA 1.109 57.490 56.400 -0.031 0.000 0.801 79 E CB -0.378 29.310 29.700 -0.020 0.000 0.750 79 E HN 0.465 nan 8.360 nan 0.000 0.452 80 L N 1.703 122.914 121.223 -0.019 0.000 2.046 80 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 80 L C 2.393 179.213 176.870 -0.084 0.000 1.077 80 L CA 1.828 56.662 54.840 -0.009 0.000 0.747 80 L CB -0.490 41.630 42.059 0.101 0.000 0.896 80 L HN -0.044 nan 8.230 nan 0.000 0.432 81 R N -0.034 120.372 120.500 -0.157 0.000 2.092 81 R HA -0.212 4.128 4.340 -0.000 0.000 0.231 81 R C 2.403 178.649 176.300 -0.089 0.000 1.119 81 R CA 1.737 57.735 56.100 -0.170 0.000 0.970 81 R CB -0.216 29.886 30.300 -0.331 0.000 0.864 81 R HN 0.478 nan 8.270 nan 0.000 0.440 82 K N 0.333 120.688 120.400 -0.077 0.000 2.057 82 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 82 K C 1.730 178.309 176.600 -0.034 0.000 1.049 82 K CA 1.743 58.001 56.287 -0.048 0.000 0.931 82 K CB -0.035 32.440 32.500 -0.041 0.000 0.714 82 K HN 0.141 nan 8.250 nan 0.000 0.440 83 N N 0.988 119.657 118.700 -0.051 0.000 2.104 83 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 83 N C 1.648 177.098 175.510 -0.100 0.000 1.024 83 N CA 1.009 54.017 53.050 -0.070 0.000 0.853 83 N CB -0.398 38.032 38.487 -0.095 0.000 1.008 83 N HN 0.135 nan 8.380 nan 0.000 0.424 84 L N 1.133 122.286 121.223 -0.116 0.000 2.017 84 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 84 L C 2.092 179.052 176.870 0.149 0.000 1.073 84 L CA 1.639 56.434 54.840 -0.074 0.000 0.745 84 L CB -1.059 40.992 42.059 -0.012 0.000 0.894 84 L HN 0.156 nan 8.230 nan 0.000 0.432 85 A N -1.752 121.128 122.820 0.099 0.000 1.902 85 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 85 A C 2.387 180.115 177.584 0.240 0.000 1.181 85 A CA 1.998 54.117 52.037 0.137 0.000 0.623 85 A CB -0.899 18.113 19.000 0.020 0.000 0.818 85 A HN 0.525 nan 8.150 nan 0.000 0.443 86 S N -0.339 115.451 115.700 0.149 0.000 2.368 86 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 86 S C 2.113 176.861 174.600 0.247 0.000 1.030 86 S CA 1.298 59.601 58.200 0.171 0.000 0.999 86 S CB -0.272 62.975 63.200 0.079 0.000 0.844 86 S HN 0.584 nan 8.310 nan 0.000 0.459 87 Q N -0.390 119.555 119.800 0.240 0.000 2.119 87 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 87 Q C 1.787 178.107 176.000 0.533 0.000 0.972 87 Q CA 1.000 57.015 55.803 0.352 0.000 0.847 87 Q CB -0.369 28.500 28.738 0.218 0.000 0.903 87 Q HN 0.751 nan 8.270 nan 0.000 0.433 88 W N 0.402 121.886 121.300 0.307 0.000 2.354 88 W HA -0.189 4.471 4.660 -0.000 0.000 0.315 88 W C 2.083 178.547 176.519 -0.091 0.000 1.206 88 W CA 1.211 58.467 57.345 -0.149 0.000 1.290 88 W CB -0.515 28.791 29.460 -0.258 0.000 1.152 88 W HN 0.238 nan 8.180 nan 0.000 0.489 89 W N 1.059 122.499 121.300 0.234 0.000 2.321 89 W HA -0.272 4.388 4.660 -0.000 0.000 0.306 89 W C 2.275 178.676 176.519 -0.196 0.000 1.217 89 W CA 2.465 59.842 57.345 0.053 0.000 1.257 89 W CB -0.928 28.604 29.460 0.120 0.000 1.145 89 W HN -0.145 nan 8.180 nan 0.000 0.509 90 S N 0.502 116.162 115.700 -0.067 0.000 2.359 90 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 90 S C 1.231 175.487 174.600 -0.575 0.000 1.039 90 S CA 1.210 59.141 58.200 -0.448 0.000 1.042 90 S CB -0.635 62.428 63.200 -0.229 0.000 0.915 90 S HN 0.062 nan 8.310 nan 0.000 0.439 94 V N 0.737 120.319 119.914 -0.553 0.000 2.252 94 V HA -0.231 3.888 4.120 -0.000 0.000 0.249 94 V C 1.989 177.928 176.094 -0.257 0.000 1.056 94 V CA 2.723 64.783 62.300 -0.400 0.000 1.022 94 V CB -0.736 30.795 31.823 -0.486 0.000 0.641 94 V HN 0.540 nan 8.190 nan 0.000 0.445 95 F N 0.585 120.479 119.950 -0.094 0.000 2.773 95 F HA 0.276 4.803 4.527 -0.000 0.000 0.304 95 F C 1.119 176.881 175.800 -0.063 0.000 1.129 95 F CA -0.280 57.690 58.000 -0.050 0.000 1.378 95 F CB -0.551 38.442 39.000 -0.012 0.000 1.095 95 F HN 0.091 nan 8.300 nan 0.000 0.565 96 R N 1.365 121.866 120.500 0.002 0.000 2.388 96 R HA 0.154 4.494 4.340 -0.000 0.000 0.314 96 R C 1.124 177.365 176.300 -0.099 0.000 0.959 96 R CA -0.270 55.819 56.100 -0.018 0.000 0.851 96 R CB 1.210 31.501 30.300 -0.014 0.000 1.168 96 R HN 0.073 nan 8.270 nan 0.000 0.472 97 E N 2.885 123.050 120.200 -0.059 0.000 2.204 97 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 97 E C 0.473 176.933 176.600 -0.233 0.000 0.990 97 E CA 1.442 57.769 56.400 -0.121 0.000 0.821 97 E CB 0.186 29.870 29.700 -0.028 0.000 0.750 97 E HN 0.596 nan 8.360 nan 0.000 0.477 98 Q N 0.546 120.297 119.800 -0.082 0.000 2.320 98 Q HA 0.197 4.537 4.340 -0.000 0.000 0.201 98 Q C -0.450 175.532 176.000 -0.031 0.000 0.910 98 Q CA -0.110 55.697 55.803 0.007 0.000 0.946 98 Q CB 1.041 29.910 28.738 0.217 0.000 1.062 98 Q HN 0.019 nan 8.270 nan 0.000 0.503 99 V N 1.251 120.992 119.914 -0.289 0.000 2.409 99 V HA 0.382 4.501 4.120 -0.000 0.000 0.291 99 V C -0.671 175.135 176.094 -0.480 0.000 1.020 99 V CA -0.576 61.619 62.300 -0.176 0.000 0.848 99 V CB 0.773 32.516 31.823 -0.133 0.000 0.990 99 V HN 0.060 nan 8.190 nan 0.000 0.430 100 F N 2.204 122.207 119.950 0.089 0.000 2.507 100 F HA 0.798 5.325 4.527 -0.000 0.000 0.327 100 F C 0.656 176.517 175.800 0.101 0.000 1.068 100 F CA -0.770 57.273 58.000 0.072 0.000 0.965 100 F CB 1.570 40.615 39.000 0.074 0.000 1.192 100 F HN 0.536 nan 8.300 nan 0.000 0.476 101 A N 1.467 124.493 122.820 0.344 0.000 2.340 101 A HA 0.635 4.955 4.320 -0.000 0.000 0.268 101 A C -0.765 176.995 177.584 0.294 0.000 1.100 101 A CA -0.477 51.804 52.037 0.406 0.000 0.803 101 A CB 0.950 20.294 19.000 0.573 0.000 1.043 101 A HN 0.715 nan 8.150 nan 0.000 0.488 102 V N 1.224 121.285 119.914 0.245 0.000 3.040 102 V HA 0.729 4.849 4.120 -0.000 0.000 0.312 102 V C -1.612 174.480 176.094 -0.003 0.000 1.115 102 V CA -0.538 61.799 62.300 0.062 0.000 0.998 102 V CB 2.360 34.211 31.823 0.048 0.000 1.042 102 V HN 1.116 nan 8.190 nan 0.000 0.433 103 D N 2.474 122.775 120.400 -0.165 0.000 2.738 103 D HA 0.795 5.435 4.640 -0.000 0.000 0.237 103 D C -0.821 175.379 176.300 -0.167 0.000 1.123 103 D CA 0.089 54.025 54.000 -0.106 0.000 0.856 103 D CB 2.468 43.240 40.800 -0.046 0.000 1.552 103 D HN 0.935 nan 8.370 nan 0.000 0.480 104 S N 1.755 117.417 115.700 -0.065 0.000 2.651 104 S HA 0.597 5.067 4.470 -0.000 0.000 0.279 104 S C -0.414 174.195 174.600 0.014 0.000 1.148 104 S CA -1.034 57.188 58.200 0.036 0.000 0.837 104 S CB 0.569 63.832 63.200 0.105 0.000 1.138 104 S HN 0.474 nan 8.310 nan 0.000 0.478 105 L N 0.982 122.252 121.223 0.078 0.000 2.476 105 L HA 0.287 4.627 4.340 -0.000 0.000 0.264 105 L C 1.286 178.171 176.870 0.025 0.000 1.224 105 L CA -0.369 54.521 54.840 0.084 0.000 0.821 105 L CB 0.049 42.174 42.059 0.111 0.000 1.101 105 L HN 0.842 nan 8.230 nan 0.000 0.488 106 H N -1.146 117.989 119.070 0.108 0.000 2.512 106 H HA -0.002 4.553 4.556 -0.000 0.000 0.279 106 H C -0.222 175.160 175.328 0.090 0.000 0.999 106 H CA 0.303 56.444 56.048 0.154 0.000 1.283 106 H CB 0.217 30.092 29.762 0.187 0.000 1.421 106 H HN 0.510 nan 8.280 nan 0.000 0.554 107 Q N 0.070 119.959 119.800 0.150 0.000 2.306 107 Q HA 0.515 4.855 4.340 -0.000 0.000 0.265 107 Q C -0.890 175.143 176.000 0.056 0.000 1.022 107 Q CA -0.740 55.103 55.803 0.066 0.000 0.853 107 Q CB 2.238 30.988 28.738 0.020 0.000 1.327 107 Q HN 0.186 nan 8.270 nan 0.000 0.449 108 E N 1.119 121.339 120.200 0.033 0.000 2.263 108 E HA 0.479 4.829 4.350 -0.000 0.000 0.264 108 E C -2.475 174.121 176.600 -0.006 0.000 0.923 108 E CA -2.591 53.819 56.400 0.017 0.000 0.802 108 E CB 1.224 30.928 29.700 0.007 0.000 1.228 108 E HN 0.413 nan 8.360 nan 0.000 0.417 109 P HA 0.079 nan 4.420 nan 0.000 0.268 109 P C -0.524 176.757 177.300 -0.032 0.000 1.205 109 P CA 0.081 63.165 63.100 -0.026 0.000 0.771 109 P CB 0.681 32.363 31.700 -0.030 0.000 0.858 116 D N 1.333 121.737 120.400 0.007 0.000 2.897 116 D HA -0.271 4.369 4.640 -0.000 0.000 0.560 116 D C 0.780 177.097 176.300 0.030 0.000 0.994 116 D CA 3.073 57.082 54.000 0.014 0.000 1.576 116 D CB -0.351 40.460 40.800 0.018 0.000 0.580 116 D HN 0.366 nan 8.370 nan 0.000 0.491 117 S N -0.251 115.487 115.700 0.064 0.000 2.556 117 S HA 0.374 4.844 4.470 -0.000 0.000 0.216 117 S C 0.291 174.991 174.600 0.166 0.000 0.970 117 S CA 0.168 58.425 58.200 0.094 0.000 0.912 117 S CB 0.607 63.880 63.200 0.122 0.000 0.790 117 S HN 0.547 nan 8.310 nan 0.000 0.504 118 A N 1.666 124.573 122.820 0.144 0.000 2.540 118 A HA 0.358 4.678 4.320 -0.000 0.000 0.239 118 A C -0.133 177.596 177.584 0.242 0.000 1.061 118 A CA 0.088 52.243 52.037 0.197 0.000 0.758 118 A CB -0.324 18.740 19.000 0.107 0.000 0.991 118 A HN 0.256 nan 8.150 nan 0.000 0.502 119 F N 2.011 121.948 119.950 -0.022 0.000 2.563 119 F HA 0.217 4.744 4.527 -0.000 0.000 0.363 119 F C 1.335 177.098 175.800 -0.062 0.000 1.123 119 F CA 0.469 58.445 58.000 -0.039 0.000 1.307 119 F CB 0.496 39.468 39.000 -0.046 0.000 1.115 119 F HN 0.468 nan 8.300 nan 0.000 0.592 120 R N 3.117 123.635 120.500 0.030 0.000 2.486 120 R HA 0.462 4.801 4.340 -0.000 0.000 0.286 120 R C -0.699 175.598 176.300 -0.005 0.000 0.999 120 R CA -0.846 55.246 56.100 -0.012 0.000 0.993 120 R CB 0.936 31.200 30.300 -0.061 0.000 1.084 120 R HN 0.565 nan 8.270 nan 0.000 0.487 121 L N 2.495 123.705 121.223 -0.021 0.000 2.276 121 L HA 0.426 4.766 4.340 -0.000 0.000 0.286 121 L C -0.259 176.598 176.870 -0.022 0.000 1.061 121 L CA -0.771 54.057 54.840 -0.021 0.000 0.807 121 L CB 1.245 43.286 42.059 -0.031 0.000 1.177 121 L HN 0.122 nan 8.230 nan 0.000 0.429 122 V N 1.901 121.810 119.914 -0.008 0.000 2.588 122 V HA 0.248 4.368 4.120 -0.000 0.000 0.304 122 V C 0.212 176.317 176.094 0.019 0.000 1.042 122 V CA -0.703 61.596 62.300 -0.001 0.000 0.877 122 V CB 2.155 33.984 31.823 0.010 0.000 0.996 122 V HN 0.890 nan 8.190 nan 0.000 0.425 123 S N 6.050 121.765 115.700 0.024 0.000 2.549 123 S HA 0.311 4.781 4.470 -0.000 0.000 0.279 123 S C -1.220 173.414 174.600 0.057 0.000 1.321 123 S CA -0.712 57.508 58.200 0.034 0.000 1.054 123 S CB 1.263 64.481 63.200 0.030 0.000 0.899 123 S HN 0.631 nan 8.310 nan 0.000 0.497 124 P HA -0.044 nan 4.420 nan 0.000 0.222 124 P C 0.966 178.293 177.300 0.044 0.000 1.153 124 P CA 0.952 64.079 63.100 0.044 0.000 0.798 124 P CB 0.058 31.774 31.700 0.027 0.000 0.796 125 E N 0.624 120.848 120.200 0.040 0.000 2.110 125 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 125 E C 2.253 178.886 176.600 0.055 0.000 0.988 125 E CA 1.722 58.144 56.400 0.035 0.000 0.804 125 E CB -0.444 29.273 29.700 0.029 0.000 0.745 125 E HN 0.362 nan 8.360 nan 0.000 0.458 126 S N 1.038 116.798 115.700 0.100 0.000 2.382 126 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 126 S C 2.069 176.781 174.600 0.186 0.000 1.027 126 S CA 0.737 59.051 58.200 0.190 0.000 0.991 126 S CB -0.418 62.931 63.200 0.248 0.000 0.823 126 S HN 0.186 nan 8.310 nan 0.000 0.469 127 I N 1.217 121.871 120.570 0.140 0.000 2.286 127 I HA -0.083 4.086 4.170 -0.000 0.000 0.245 127 I C 3.146 179.188 176.117 -0.125 0.000 1.104 127 I CA 1.024 62.300 61.300 -0.040 0.000 1.397 127 I CB -0.310 37.714 38.000 0.040 0.000 1.072 127 I HN 0.242 nan 8.210 nan 0.000 0.417 128 R N 0.617 121.089 120.500 -0.047 0.000 2.073 128 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 128 R C 2.205 178.464 176.300 -0.068 0.000 1.134 128 R CA 1.421 57.489 56.100 -0.052 0.000 0.952 128 R CB -0.366 29.921 30.300 -0.021 0.000 0.850 128 R HN 0.418 nan 8.270 nan 0.000 0.433 129 E N 0.392 120.563 120.200 -0.049 0.000 2.086 129 E HA -0.244 4.106 4.350 -0.000 0.000 0.200 129 E C 2.026 178.572 176.600 -0.090 0.000 1.012 129 E CA 1.291 57.665 56.400 -0.043 0.000 0.812 129 E CB -0.013 29.686 29.700 -0.001 0.000 0.743 129 E HN 0.196 nan 8.360 nan 0.000 0.453 130 I N 0.770 121.231 120.570 -0.183 0.000 2.142 130 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 130 I C 2.215 178.217 176.117 -0.192 0.000 1.078 130 I CA 0.944 62.084 61.300 -0.267 0.000 1.343 130 I CB -0.763 36.861 38.000 -0.627 0.000 1.046 130 I HN 0.235 nan 8.210 nan 0.000 0.405 131 L N 0.458 121.574 121.223 -0.178 0.000 2.549 131 L HA -0.153 4.187 4.340 -0.000 0.000 0.230 131 L C 2.374 179.197 176.870 -0.078 0.000 1.162 131 L CA 1.336 56.105 54.840 -0.119 0.000 0.834 131 L CB -1.211 40.788 42.059 -0.100 0.000 0.947 131 L HN 0.400 nan 8.230 nan 0.000 0.452 132 Q N -0.873 118.885 119.800 -0.071 0.000 2.123 132 Q HA -0.038 4.302 4.340 -0.000 0.000 0.196 132 Q C 0.047 176.021 176.000 -0.043 0.000 0.958 132 Q CA 0.337 56.111 55.803 -0.048 0.000 0.841 132 Q CB 0.247 28.962 28.738 -0.038 0.000 0.915 132 Q HN 0.463 nan 8.270 nan 0.000 0.455 133 D N 0.609 120.979 120.400 -0.050 0.000 2.417 133 D HA 0.015 4.655 4.640 -0.000 0.000 0.250 133 D C 1.090 177.367 176.300 -0.038 0.000 1.166 133 D CA 0.366 54.342 54.000 -0.040 0.000 0.881 133 D CB 0.876 41.652 40.800 -0.041 0.000 1.164 133 D HN 0.221 nan 8.370 nan 0.000 0.467 134 R N 3.262 123.745 120.500 -0.028 0.000 2.075 134 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 134 R C 1.184 177.469 176.300 -0.024 0.000 1.126 134 R CA 1.182 57.267 56.100 -0.025 0.000 0.963 134 R CB -0.780 29.509 30.300 -0.019 0.000 0.858 134 R HN 0.648 nan 8.270 nan 0.000 0.435 135 E N 0.898 121.085 120.200 -0.022 0.000 2.229 135 E HA 0.165 4.515 4.350 -0.000 0.000 0.283 135 E C -1.619 174.967 176.600 -0.023 0.000 1.030 135 E CA -1.805 54.584 56.400 -0.019 0.000 0.836 135 E CB 1.495 31.187 29.700 -0.013 0.000 1.068 135 E HN 0.300 nan 8.360 nan 0.000 0.401 136 P HA 0.206 nan 4.420 nan 0.000 0.194 136 P C -0.121 177.171 177.300 -0.014 0.000 1.105 136 P CA 0.051 63.136 63.100 -0.024 0.000 0.797 136 P CB 0.402 32.088 31.700 -0.022 0.000 0.687 137 S N -1.814 113.881 115.700 -0.009 0.000 4.283 137 S HA -0.030 4.440 4.470 -0.000 0.000 0.468 137 S C 0.460 175.059 174.600 -0.001 0.000 1.821 137 S CA 0.474 58.673 58.200 -0.003 0.000 4.037 137 S CB -1.497 61.704 63.200 0.002 0.000 0.341 137 S HN 0.552 nan 8.310 nan 0.000 0.473 138 K N 0.090 120.493 120.400 0.004 0.000 1.480 138 K HA 0.047 4.367 4.320 -0.000 0.000 0.089 138 K C 0.704 177.313 176.600 0.014 0.000 2.329 138 K CA 0.825 57.115 56.287 0.007 0.000 1.050 138 K CB -0.940 31.563 32.500 0.004 0.000 2.578 138 K HN 0.362 nan 8.250 nan 0.000 0.366 139 E N 1.245 121.453 120.200 0.013 0.000 2.072 139 E HA -0.123 4.226 4.350 -0.000 0.000 0.190 139 E C 1.688 178.304 176.600 0.027 0.000 0.982 139 E CA 1.291 57.700 56.400 0.017 0.000 0.803 139 E CB 0.077 29.784 29.700 0.012 0.000 0.755 139 E HN 0.359 nan 8.360 nan 0.000 0.453 140 Q N 0.280 120.095 119.800 0.026 0.000 2.187 140 Q HA -0.026 4.314 4.340 -0.000 0.000 0.199 140 Q C 2.274 178.312 176.000 0.063 0.000 0.957 140 Q CA 0.714 56.540 55.803 0.038 0.000 0.857 140 Q CB 0.156 28.905 28.738 0.019 0.000 0.929 140 Q HN 0.285 nan 8.270 nan 0.000 0.453 141 L N -0.547 120.702 121.223 0.043 0.000 2.049 141 L HA -0.093 4.247 4.340 -0.000 0.000 0.203 141 L C 2.312 179.245 176.870 0.106 0.000 1.074 141 L CA 0.497 55.371 54.840 0.055 0.000 0.749 141 L CB -0.484 41.581 42.059 0.010 0.000 0.907 141 L HN 0.034 nan 8.230 nan 0.000 0.439 142 V N 0.632 120.584 119.914 0.064 0.000 2.332 142 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 142 V C 2.833 178.966 176.094 0.065 0.000 1.055 142 V CA 1.915 64.248 62.300 0.055 0.000 1.038 142 V CB -0.909 30.932 31.823 0.029 0.000 0.651 142 V HN 0.485 nan 8.190 nan 0.000 0.450 143 A N -0.434 122.427 122.820 0.069 0.000 1.865 143 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 143 A C 2.118 179.749 177.584 0.078 0.000 1.191 143 A CA 2.282 54.355 52.037 0.058 0.000 0.623 143 A CB -0.817 18.218 19.000 0.058 0.000 0.826 143 A HN 0.533 nan 8.150 nan 0.000 0.444 144 F N 0.612 120.554 119.950 -0.014 0.000 2.043 144 F HA -0.219 4.308 4.527 -0.000 0.000 0.297 144 F C 2.026 177.815 175.800 -0.019 0.000 1.121 144 F CA 2.133 60.124 58.000 -0.015 0.000 1.199 144 F CB -0.357 38.635 39.000 -0.014 0.000 0.968 144 F HN 0.158 nan 8.300 nan 0.000 0.478 145 L N 0.021 121.356 121.223 0.186 0.000 2.079 145 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 145 L C 2.512 179.350 176.870 -0.053 0.000 1.081 145 L CA 1.910 56.783 54.840 0.055 0.000 0.752 145 L CB -0.881 41.234 42.059 0.094 0.000 0.896 145 L HN 0.307 nan 8.230 nan 0.000 0.433 146 E N 0.406 120.586 120.200 -0.033 0.000 2.031 146 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 146 E C 2.000 178.542 176.600 -0.097 0.000 0.994 146 E CA 1.410 57.780 56.400 -0.051 0.000 0.800 146 E CB -0.036 29.648 29.700 -0.026 0.000 0.752 146 E HN 0.329 nan 8.360 nan 0.000 0.447 147 N N 0.593 119.214 118.700 -0.131 0.000 2.205 147 N HA -0.160 4.579 4.740 -0.000 0.000 0.186 147 N C 1.858 177.233 175.510 -0.226 0.000 1.015 147 N CA 0.839 53.788 53.050 -0.170 0.000 0.862 147 N CB -0.218 38.157 38.487 -0.187 0.000 0.986 147 N HN 0.215 nan 8.380 nan 0.000 0.429 148 L N -0.448 120.591 121.223 -0.307 0.000 2.017 148 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 148 L C 2.033 178.807 176.870 -0.159 0.000 1.073 148 L CA 0.707 55.382 54.840 -0.274 0.000 0.745 148 L CB -0.459 41.434 42.059 -0.276 0.000 0.894 148 L HN 0.202 nan 8.230 nan 0.000 0.432 149 L N -0.338 120.809 121.223 -0.127 0.000 2.353 149 L HA -0.183 4.156 4.340 -0.000 0.000 0.220 149 L C 2.194 179.017 176.870 -0.078 0.000 1.133 149 L CA 1.740 56.526 54.840 -0.091 0.000 0.798 149 L CB -0.462 41.553 42.059 -0.073 0.000 0.922 149 L HN 0.138 nan 8.230 nan 0.000 0.445 150 K N -2.280 118.069 120.400 -0.084 0.000 2.391 150 K HA 0.179 4.499 4.320 -0.000 0.000 0.197 150 K C 1.473 178.033 176.600 -0.066 0.000 1.087 150 K CA 0.936 57.184 56.287 -0.066 0.000 1.012 150 K CB 0.785 33.251 32.500 -0.058 0.000 0.925 150 K HN 0.411 nan 8.250 nan 0.000 0.547 151 T N -2.273 112.230 114.554 -0.084 0.000 2.990 151 T HA 0.166 4.516 4.350 -0.000 0.000 0.250 151 T C 0.915 175.573 174.700 -0.070 0.000 1.041 151 T CA -0.261 61.794 62.100 -0.075 0.000 1.010 151 T CB 0.361 69.177 68.868 -0.086 0.000 1.003 151 T HN -0.229 nan 8.240 nan 0.000 0.499 152 S N 1.988 117.640 115.700 -0.080 0.000 2.531 152 S HA 0.549 5.019 4.470 -0.000 0.000 0.279 152 S C 1.051 175.622 174.600 -0.049 0.000 1.305 152 S CA -0.614 57.545 58.200 -0.068 0.000 1.058 152 S CB 0.597 63.749 63.200 -0.079 0.000 0.899 152 S HN 0.674 nan 8.310 nan 0.000 0.493 153 G N 2.464 111.242 108.800 -0.038 0.000 2.664 153 G HA2 0.328 4.288 3.960 -0.000 0.000 0.242 153 G HA3 0.328 4.288 3.960 -0.000 0.000 0.242 153 G C -0.279 174.605 174.900 -0.026 0.000 1.225 153 G CA -0.445 44.639 45.100 -0.027 0.000 0.849 153 G HN 0.701 nan 8.290 nan 0.000 0.581 154 K N -0.242 120.147 120.400 -0.018 0.000 2.482 154 K HA 0.537 4.857 4.320 -0.000 0.000 0.257 154 K C -0.901 175.688 176.600 -0.018 0.000 0.969 154 K CA -1.052 55.229 56.287 -0.011 0.000 0.842 154 K CB 1.741 34.243 32.500 0.003 0.000 1.359 154 K HN 0.307 nan 8.250 nan 0.000 0.441 155 L N 2.946 124.142 121.223 -0.046 0.000 2.416 155 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 155 L C 0.876 177.778 176.870 0.054 0.000 1.161 155 L CA -0.627 54.144 54.840 -0.115 0.000 0.845 155 L CB 0.486 42.302 42.059 -0.404 0.000 1.119 155 L HN 0.702 nan 8.230 nan 0.000 0.464 156 R N 2.749 123.343 120.500 0.157 0.000 2.623 156 R HA 0.270 4.610 4.340 -0.000 0.000 0.271 156 R C 0.379 176.778 176.300 0.166 0.000 1.043 156 R CA 0.261 56.465 56.100 0.173 0.000 1.083 156 R CB 0.603 31.003 30.300 0.168 0.000 0.974 156 R HN 0.717 nan 8.270 nan 0.000 0.436 157 A N 2.430 125.298 122.820 0.081 0.000 2.085 157 A HA 0.108 4.428 4.320 -0.000 0.000 0.208 157 A C 0.641 178.232 177.584 0.011 0.000 1.191 157 A CA 0.965 52.977 52.037 -0.041 0.000 0.799 157 A CB 0.196 19.224 19.000 0.048 0.000 0.877 157 A HN 0.930 nan 8.150 nan 0.000 0.473 158 T N -4.374 110.239 114.554 0.097 0.000 2.812 158 T HA 0.579 4.929 4.350 -0.000 0.000 0.294 158 T C 0.175 174.922 174.700 0.078 0.000 1.159 158 T CA -0.539 61.620 62.100 0.099 0.000 1.008 158 T CB 0.846 69.779 68.868 0.109 0.000 1.289 158 T HN -0.022 nan 8.240 nan 0.000 0.514 159 L N 0.996 122.247 121.223 0.047 0.000 2.607 159 L HA 0.268 4.608 4.340 -0.000 0.000 0.228 159 L C 2.042 178.931 176.870 0.032 0.000 1.123 159 L CA -0.040 54.823 54.840 0.037 0.000 0.890 159 L CB -0.326 41.743 42.059 0.017 0.000 1.103 159 L HN 0.586 nan 8.230 nan 0.000 0.468 160 L N -0.057 121.148 121.223 -0.030 0.000 2.017 160 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 160 L C 2.329 179.105 176.870 -0.157 0.000 1.073 160 L CA 2.139 56.899 54.840 -0.134 0.000 0.745 160 L CB -0.460 41.430 42.059 -0.281 0.000 0.894 160 L HN 0.253 nan 8.230 nan 0.000 0.432 161 H N -1.105 118.026 119.070 0.102 0.000 2.457 161 H HA 0.004 4.560 4.556 -0.000 0.000 0.294 161 H C 2.116 177.531 175.328 0.145 0.000 1.064 161 H CA 1.081 57.194 56.048 0.109 0.000 1.330 161 H CB -0.372 29.437 29.762 0.079 0.000 1.395 161 H HN 0.507 nan 8.280 nan 0.000 0.541 162 G N 0.261 109.196 108.800 0.225 0.000 2.402 162 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 162 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 162 G C 1.894 177.008 174.900 0.357 0.000 1.162 162 G CA 0.690 45.950 45.100 0.266 0.000 0.777 162 G HN 0.495 nan 8.290 nan 0.000 0.539 163 A N 0.748 123.729 122.820 0.268 0.000 1.873 163 A HA 0.107 4.427 4.320 -0.000 0.000 0.215 163 A C 2.429 180.285 177.584 0.453 0.000 1.186 163 A CA 1.192 53.439 52.037 0.349 0.000 0.616 163 A CB -0.436 18.736 19.000 0.286 0.000 0.823 163 A HN 0.330 nan 8.150 nan 0.000 0.442 164 L N -0.618 120.825 121.223 0.366 0.000 2.042 164 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 164 L C 2.471 179.574 176.870 0.388 0.000 1.076 164 L CA 1.801 56.875 54.840 0.390 0.000 0.749 164 L CB -0.798 41.422 42.059 0.268 0.000 0.893 164 L HN 0.490 nan 8.230 nan 0.000 0.432 165 E N -0.893 119.457 120.200 0.249 0.000 2.338 165 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 165 E C 1.366 177.989 176.600 0.038 0.000 1.007 165 E CA 0.759 57.197 56.400 0.063 0.000 0.849 165 E CB 0.054 29.740 29.700 -0.024 0.000 0.774 165 E HN 0.612 nan 8.360 nan 0.000 0.506 166 H N -2.145 117.077 119.070 0.254 0.000 2.652 166 H HA 0.039 4.595 4.556 -0.000 0.000 0.274 166 H C 1.099 176.537 175.328 0.184 0.000 1.021 166 H CA -0.107 56.059 56.048 0.196 0.000 1.187 166 H CB 0.203 30.064 29.762 0.164 0.000 1.505 166 H HN 0.170 nan 8.280 nan 0.000 0.530 167 Y N 0.774 121.193 120.300 0.199 0.000 2.128 167 Y HA -0.266 4.283 4.550 -0.000 0.000 0.284 167 Y C 2.007 177.848 175.900 -0.098 0.000 1.154 167 Y CA 1.522 59.599 58.100 -0.039 0.000 1.149 167 Y CB -0.592 37.726 38.460 -0.236 0.000 0.976 167 Y HN 0.014 nan 8.280 nan 0.000 0.505 168 V N 1.464 121.249 119.914 -0.214 0.000 2.392 168 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 168 V C 2.082 177.973 176.094 -0.338 0.000 1.059 168 V CA 2.202 64.244 62.300 -0.429 0.000 1.051 168 V CB -0.705 30.950 31.823 -0.280 0.000 0.658 168 V HN 0.524 nan 8.190 nan 0.000 0.455 169 N N -0.884 117.707 118.700 -0.182 0.000 2.142 169 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 169 N C 1.840 177.172 175.510 -0.296 0.000 1.023 169 N CA 1.721 54.665 53.050 -0.177 0.000 0.852 169 N CB -0.781 37.667 38.487 -0.066 0.000 0.998 169 N HN 0.491 nan 8.380 nan 0.000 0.424 170 C N 0.849 119.948 119.300 -0.336 0.000 2.435 170 C HA 0.043 4.503 4.460 -0.000 0.000 0.279 170 C C 2.689 177.150 174.990 -0.882 0.000 1.321 170 C CA 0.038 58.711 59.018 -0.576 0.000 1.752 170 C CB -1.258 26.231 27.740 -0.419 0.000 1.959 170 C HN 0.339 nan 8.230 nan 0.000 0.500 171 L N 1.398 122.143 121.223 -0.797 0.000 2.012 171 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 171 L C 2.098 178.663 176.870 -0.508 0.000 1.073 171 L CA 2.784 57.194 54.840 -0.717 0.000 0.748 171 L CB -1.035 40.570 42.059 -0.756 0.000 0.891 171 L HN 0.415 nan 8.230 nan 0.000 0.431 172 D N -1.200 118.950 120.400 -0.418 0.000 2.097 172 D HA -0.247 4.393 4.640 -0.000 0.000 0.195 172 D C 2.152 178.267 176.300 -0.309 0.000 0.989 172 D CA 1.421 55.243 54.000 -0.298 0.000 0.827 172 D CB -0.176 40.484 40.800 -0.232 0.000 0.966 172 D HN 0.281 nan 8.370 nan 0.000 0.456 173 L N 0.441 121.430 121.223 -0.391 0.000 2.079 173 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 173 L C 1.874 178.509 176.870 -0.391 0.000 1.081 173 L CA 1.612 56.215 54.840 -0.393 0.000 0.752 173 L CB -0.501 41.241 42.059 -0.529 0.000 0.896 173 L HN 0.232 nan 8.230 nan 0.000 0.433 174 V N -2.875 116.742 119.914 -0.495 0.000 3.415 174 V HA 0.242 4.362 4.120 -0.000 0.000 0.325 174 V C 0.655 176.616 176.094 -0.222 0.000 1.313 174 V CA 0.060 62.145 62.300 -0.358 0.000 1.228 174 V CB -1.396 30.155 31.823 -0.453 0.000 1.131 174 V HN 0.622 nan 8.190 nan 0.000 0.433 175 N N 2.519 121.094 118.700 -0.208 0.000 2.716 175 N HA -0.250 4.490 4.740 -0.000 0.000 0.250 175 N C 0.762 176.199 175.510 -0.122 0.000 1.033 175 N CA 1.321 54.286 53.050 -0.143 0.000 0.727 175 N CB -0.866 37.564 38.487 -0.095 0.000 0.950 175 N HN 0.870 nan 8.380 nan 0.000 0.541 176 R N -3.230 117.173 120.500 -0.162 0.000 3.994 176 R HA -0.227 4.113 4.340 -0.000 0.000 0.403 176 R C -0.271 176.011 176.300 -0.031 0.000 1.126 176 R CA 1.382 57.418 56.100 -0.107 0.000 1.143 176 R CB -1.353 28.899 30.300 -0.080 0.000 1.695 176 R HN 0.359 nan 8.270 nan 0.000 0.555 177 K N 1.488 121.869 120.400 -0.033 0.000 2.349 177 K HA 0.324 4.643 4.320 -0.000 0.000 0.288 177 K C 0.228 176.893 176.600 0.109 0.000 1.058 177 K CA 0.098 56.400 56.287 0.026 0.000 0.953 177 K CB 0.581 33.091 32.500 0.017 0.000 0.997 177 K HN 0.065 nan 8.250 nan 0.000 0.477 178 L N 5.360 126.642 121.223 0.099 0.000 2.352 178 L HA 0.558 4.898 4.340 -0.000 0.000 0.269 178 L C -1.817 175.070 176.870 0.029 0.000 1.034 178 L CA -2.088 52.796 54.840 0.074 0.000 0.806 178 L CB 1.115 43.189 42.059 0.025 0.000 1.244 178 L HN 0.578 nan 8.230 nan 0.000 0.447 179 P HA 0.552 nan 4.420 nan 0.000 0.283 179 P C -1.399 175.659 177.300 -0.403 0.000 1.278 179 P CA -0.369 62.472 63.100 -0.431 0.000 0.834 179 P CB 1.554 32.749 31.700 -0.842 0.000 1.150 180 F N -3.082 116.403 119.950 -0.774 0.000 2.713 180 F HA 0.771 5.297 4.527 -0.000 0.000 0.311 180 F C -1.038 174.551 175.800 -0.352 0.000 1.141 180 F CA -0.931 56.809 58.000 -0.435 0.000 0.939 180 F CB 0.935 39.951 39.000 0.027 0.000 1.325 180 F HN 0.518 nan 8.300 nan 0.000 0.453 181 G N 1.129 110.109 108.800 0.299 0.000 2.498 181 G HA2 0.717 4.677 3.960 -0.000 0.000 0.312 181 G HA3 0.717 4.677 3.960 -0.000 0.000 0.312 181 G C -2.224 172.992 174.900 0.526 0.000 1.230 181 G CA -1.193 44.151 45.100 0.407 0.000 0.968 181 G HN 0.814 nan 8.290 nan 0.000 0.481 182 L N 0.689 122.164 121.223 0.419 0.000 2.381 182 L HA 0.727 5.066 4.340 -0.000 0.000 0.274 182 L C 0.154 177.168 176.870 0.240 0.000 0.988 182 L CA -0.894 54.182 54.840 0.394 0.000 0.824 182 L CB 2.095 44.441 42.059 0.479 0.000 1.263 182 L HN 0.685 nan 8.230 nan 0.000 0.410 183 A N 3.463 126.407 122.820 0.207 0.000 2.374 183 A HA 0.846 5.166 4.320 -0.000 0.000 0.317 183 A C -1.091 176.715 177.584 0.370 0.000 1.094 183 A CA -0.460 51.716 52.037 0.231 0.000 0.765 183 A CB 2.173 21.190 19.000 0.028 0.000 1.268 183 A HN 0.697 nan 8.150 nan 0.000 0.438 184 Q N 0.817 120.844 119.800 0.379 0.000 2.386 184 Q HA 0.606 4.946 4.340 -0.000 0.000 0.274 184 Q C -2.202 173.872 176.000 0.123 0.000 1.011 184 Q CA -0.462 55.519 55.803 0.297 0.000 0.867 184 Q CB 1.758 30.578 28.738 0.136 0.000 1.409 184 Q HN 0.717 nan 8.270 nan 0.000 0.395 185 I N 2.485 123.084 120.570 0.048 0.000 2.406 185 I HA 0.833 5.003 4.170 -0.000 0.000 0.290 185 I C 0.126 176.187 176.117 -0.094 0.000 0.999 185 I CA -0.555 60.668 61.300 -0.129 0.000 1.124 185 I CB 1.983 39.885 38.000 -0.163 0.000 1.289 185 I HN 0.740 nan 8.210 nan 0.000 0.441 186 G N 4.348 113.090 108.800 -0.097 0.000 2.559 186 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 186 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 186 G C -1.621 173.236 174.900 -0.073 0.000 1.424 186 G CA -0.540 44.520 45.100 -0.066 0.000 0.786 186 G HN 0.247 nan 8.290 nan 0.000 0.485 187 V N -0.375 119.515 119.914 -0.041 0.000 2.649 187 V HA 0.463 4.583 4.120 -0.000 0.000 0.292 187 V C 0.140 176.066 176.094 -0.280 0.000 1.055 187 V CA -0.228 61.972 62.300 -0.166 0.000 1.023 187 V CB 0.964 32.669 31.823 -0.197 0.000 0.992 187 V HN 0.859 nan 8.190 nan 0.000 0.480 188 C N 4.265 123.333 119.300 -0.386 0.000 2.614 188 C HA 0.725 5.185 4.460 -0.000 0.000 0.320 188 C C -0.506 174.066 174.990 -0.696 0.000 1.200 188 C CA -0.884 57.907 59.018 -0.378 0.000 1.700 188 C CB 1.329 28.973 27.740 -0.162 0.000 2.275 188 C HN 0.695 nan 8.230 nan 0.000 0.492 189 F N 0.738 120.509 119.950 -0.298 0.000 2.458 189 F HA 0.471 4.998 4.527 -0.000 0.000 0.336 189 F C 0.203 175.718 175.800 -0.475 0.000 1.114 189 F CA -0.361 57.477 58.000 -0.270 0.000 0.987 189 F CB 0.781 39.699 39.000 -0.136 0.000 1.130 189 F HN 0.580 nan 8.300 nan 0.000 0.458 190 H N 2.225 121.360 119.070 0.108 0.000 2.906 190 H HA 0.331 4.887 4.556 -0.000 0.000 0.324 190 H C -2.558 172.779 175.328 0.016 0.000 0.973 190 H CA -1.977 54.108 56.048 0.063 0.000 1.321 190 H CB 1.369 31.153 29.762 0.037 0.000 1.535 190 H HN 0.277 nan 8.280 nan 0.000 0.518 191 P HA -0.123 nan 4.420 nan 0.000 0.260 191 P C -0.163 177.193 177.300 0.093 0.000 1.172 191 P CA 0.273 63.425 63.100 0.086 0.000 0.760 191 P CB 0.648 32.478 31.700 0.217 0.000 0.773 192 V N 3.839 123.784 119.914 0.051 0.000 2.785 192 V HA 0.560 4.680 4.120 -0.000 0.000 0.300 192 V C 0.199 176.329 176.094 0.060 0.000 1.062 192 V CA 0.680 63.010 62.300 0.050 0.000 1.029 192 V CB 1.003 32.840 31.823 0.024 0.000 1.024 192 V HN 0.836 nan 8.190 nan 0.000 0.477 205 V N 0.877 120.637 119.914 -0.257 0.000 2.378 205 V HA 0.779 4.899 4.120 -0.000 0.000 0.288 205 V C 0.159 176.223 176.094 -0.050 0.000 1.016 205 V CA -0.033 62.109 62.300 -0.264 0.000 0.840 205 V CB 1.208 32.685 31.823 -0.577 0.000 0.994 205 V HN 0.822 nan 8.190 nan 0.000 0.431 206 G N 4.832 113.635 108.800 0.006 0.000 2.491 206 G HA2 0.425 4.384 3.960 -0.000 0.000 0.242 206 G HA3 0.425 4.384 3.960 -0.000 0.000 0.242 206 G C -0.440 174.483 174.900 0.039 0.000 1.266 206 G CA -0.308 44.813 45.100 0.034 0.000 0.844 206 G HN 0.849 nan 8.290 nan 0.000 0.571 207 E N 0.152 120.338 120.200 -0.024 0.000 2.176 207 E HA 0.350 4.700 4.350 -0.000 0.000 0.267 207 E C -0.351 176.199 176.600 -0.083 0.000 0.893 207 E CA -0.689 55.620 56.400 -0.152 0.000 0.761 207 E CB 2.042 31.642 29.700 -0.166 0.000 1.133 207 E HN 0.631 nan 8.360 nan 0.000 0.409 208 K N 0.900 121.255 120.400 -0.074 0.000 2.427 208 K HA 0.450 4.770 4.320 -0.000 0.000 0.252 208 K C -0.967 175.614 176.600 -0.032 0.000 0.931 208 K CA -0.702 55.590 56.287 0.009 0.000 0.793 208 K CB 1.823 34.382 32.500 0.097 0.000 1.211 208 K HN 0.144 nan 8.250 nan 0.000 0.426 209 T N 2.611 117.167 114.554 0.002 0.000 2.729 209 T HA 0.082 4.432 4.350 -0.000 0.000 0.296 209 T C -0.680 174.005 174.700 -0.026 0.000 0.928 209 T CA -0.177 61.910 62.100 -0.023 0.000 1.045 209 T CB 0.554 69.423 68.868 0.001 0.000 0.902 209 T HN 0.642 nan 8.240 nan 0.000 0.500 210 E N 2.242 122.405 120.200 -0.062 0.000 2.179 210 E HA 0.595 4.945 4.350 -0.000 0.000 0.275 210 E C -0.959 175.509 176.600 -0.219 0.000 0.945 210 E CA -0.993 55.356 56.400 -0.085 0.000 0.792 210 E CB 0.962 30.645 29.700 -0.029 0.000 1.125 210 E HN 0.626 nan 8.360 nan 0.000 0.397 211 A N 3.617 126.211 122.820 -0.377 0.000 2.316 211 A HA 0.363 4.683 4.320 -0.000 0.000 0.324 211 A C -0.588 176.640 177.584 -0.593 0.000 1.375 211 A CA -0.555 50.946 52.037 -0.894 0.000 0.882 211 A CB 1.021 18.998 19.000 -1.703 0.000 1.152 211 A HN 0.402 nan 8.150 nan 0.000 0.512 212 S N 2.520 118.048 115.700 -0.286 0.000 2.454 212 S HA 0.651 5.120 4.470 -0.000 0.000 0.306 212 S C -0.889 173.848 174.600 0.227 0.000 1.100 212 S CA -0.495 57.716 58.200 0.018 0.000 1.087 212 S CB 0.794 64.003 63.200 0.015 0.000 1.019 212 S HN 0.994 nan 8.310 nan 0.000 0.480 213 L N 6.096 127.411 121.223 0.154 0.000 2.313 213 L HA 0.741 5.081 4.340 -0.000 0.000 0.283 213 L C -1.351 175.458 176.870 -0.101 0.000 1.013 213 L CA -0.375 54.458 54.840 -0.012 0.000 0.816 213 L CB 1.688 43.561 42.059 -0.310 0.000 1.236 213 L HN 0.497 nan 8.230 nan 0.000 0.419 214 V N 5.295 125.168 119.914 -0.068 0.000 2.409 214 V HA 0.354 4.474 4.120 -0.000 0.000 0.291 214 V C -0.922 174.993 176.094 -0.299 0.000 1.020 214 V CA -0.524 61.652 62.300 -0.206 0.000 0.848 214 V CB 1.564 33.273 31.823 -0.189 0.000 0.990 214 V HN 0.814 nan 8.190 nan 0.000 0.430 215 W N 6.337 127.252 121.300 -0.642 0.000 2.475 215 W HA 0.617 5.277 4.660 -0.000 0.000 0.317 215 W C -1.905 174.192 176.519 -0.703 0.000 1.046 215 W CA -0.857 56.152 57.345 -0.559 0.000 1.215 215 W CB 1.709 30.944 29.460 -0.377 0.000 1.335 215 W HN 0.449 nan 8.180 nan 0.000 0.471 216 F N 4.317 123.761 119.950 -0.843 0.000 2.388 216 F HA 0.413 4.940 4.527 -0.000 0.000 0.358 216 F C 0.557 175.869 175.800 -0.813 0.000 1.122 216 F CA -0.383 57.184 58.000 -0.721 0.000 1.056 216 F CB 1.833 40.358 39.000 -0.792 0.000 1.155 216 F HN 0.013 nan 8.300 nan 0.000 0.461 217 T N 4.059 118.420 114.554 -0.321 0.000 2.894 217 T HA 0.482 4.832 4.350 -0.000 0.000 0.309 217 T C -2.982 171.720 174.700 0.003 0.000 1.208 217 T CA -2.255 59.723 62.100 -0.203 0.000 1.016 217 T CB 1.765 70.530 68.868 -0.172 0.000 1.192 217 T HN 0.098 nan 8.240 nan 0.000 0.491 218 P HA 0.146 nan 4.420 nan 0.000 0.266 218 P C 0.867 178.235 177.300 0.113 0.000 1.195 218 P CA 0.153 63.303 63.100 0.082 0.000 0.768 218 P CB 0.213 31.968 31.700 0.093 0.000 0.838 219 T N 2.373 116.981 114.554 0.090 0.000 2.737 219 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 219 T C 1.647 176.414 174.700 0.111 0.000 1.040 219 T CA 1.677 63.835 62.100 0.097 0.000 1.142 219 T CB -0.396 68.515 68.868 0.072 0.000 0.861 219 T HN 0.581 nan 8.240 nan 0.000 0.456 220 R N 1.561 122.121 120.500 0.099 0.000 2.241 220 R HA -0.063 4.277 4.340 -0.000 0.000 0.224 220 R C 1.795 178.162 176.300 0.112 0.000 1.101 220 R CA 1.741 57.895 56.100 0.091 0.000 0.995 220 R CB -0.776 29.566 30.300 0.071 0.000 0.870 220 R HN 0.505 nan 8.270 nan 0.000 0.463 221 T N -2.184 112.474 114.554 0.174 0.000 3.044 221 T HA 0.108 4.458 4.350 -0.000 0.000 0.260 221 T C 1.719 176.622 174.700 0.338 0.000 1.019 221 T CA 0.121 62.350 62.100 0.215 0.000 0.921 221 T CB 0.592 69.648 68.868 0.313 0.000 1.053 221 T HN 0.322 nan 8.240 nan 0.000 0.533 222 S N 2.155 118.039 115.700 0.307 0.000 2.356 222 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 222 S C 2.183 176.961 174.600 0.297 0.000 1.032 222 S CA 1.381 59.787 58.200 0.343 0.000 1.005 222 S CB -1.084 62.255 63.200 0.231 0.000 0.867 222 S HN 0.419 nan 8.310 nan 0.000 0.449 223 S N 2.033 117.848 115.700 0.192 0.000 2.370 223 S HA -0.156 4.313 4.470 -0.000 0.000 0.226 223 S C 2.184 176.858 174.600 0.123 0.000 1.033 223 S CA 1.553 59.841 58.200 0.148 0.000 1.011 223 S CB -0.530 62.730 63.200 0.098 0.000 0.852 223 S HN 0.655 nan 8.310 nan 0.000 0.457 224 Q N -0.486 119.355 119.800 0.068 0.000 2.084 224 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 224 Q C 1.971 177.938 176.000 -0.054 0.000 0.978 224 Q CA 1.634 57.407 55.803 -0.051 0.000 0.844 224 Q CB -0.248 28.379 28.738 -0.186 0.000 0.898 224 Q HN 0.634 nan 8.270 nan 0.000 0.426 225 W N 0.453 121.813 121.300 0.100 0.000 2.358 225 W HA -0.186 4.474 4.660 -0.000 0.000 0.303 225 W C 2.065 178.678 176.519 0.157 0.000 1.208 225 W CA 0.316 57.716 57.345 0.092 0.000 1.274 225 W CB -0.290 29.348 29.460 0.296 0.000 1.138 225 W HN 0.190 nan 8.180 nan 0.000 0.515 226 L N 0.627 122.105 121.223 0.424 0.000 2.012 226 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 226 L C 1.754 178.763 176.870 0.232 0.000 1.073 226 L CA 2.141 57.183 54.840 0.337 0.000 0.748 226 L CB -0.930 41.277 42.059 0.247 0.000 0.891 226 L HN -0.151 nan 8.230 nan 0.000 0.431 227 D N -1.272 119.216 120.400 0.147 0.000 2.178 227 D HA -0.213 4.427 4.640 -0.000 0.000 0.202 227 D C 1.965 178.287 176.300 0.036 0.000 0.974 227 D CA 1.278 55.324 54.000 0.076 0.000 0.841 227 D CB -0.213 40.609 40.800 0.037 0.000 0.953 227 D HN 0.424 nan 8.370 nan 0.000 0.478 228 F N -0.206 119.660 119.950 -0.139 0.000 2.075 228 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 228 F C 2.009 177.676 175.800 -0.220 0.000 1.113 228 F CA 1.502 59.327 58.000 -0.292 0.000 1.218 228 F CB -0.584 38.070 39.000 -0.576 0.000 0.984 228 F HN -0.029 nan 8.300 nan 0.000 0.472 229 W N 0.112 121.440 121.300 0.047 0.000 2.363 229 W HA -0.181 4.479 4.660 -0.000 0.000 0.296 229 W C 2.289 178.755 176.519 -0.088 0.000 1.212 229 W CA 0.699 58.000 57.345 -0.074 0.000 1.260 229 W CB -0.647 28.812 29.460 -0.003 0.000 1.131 229 W HN 0.171 nan 8.180 nan 0.000 0.530 230 L N 1.228 122.546 121.223 0.159 0.000 2.012 230 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 230 L C 2.479 179.376 176.870 0.045 0.000 1.073 230 L CA 2.057 56.955 54.840 0.096 0.000 0.748 230 L CB -1.059 41.040 42.059 0.066 0.000 0.891 230 L HN -0.021 nan 8.230 nan 0.000 0.431 231 R N -1.712 118.761 120.500 -0.044 0.000 2.062 231 R HA -0.202 4.138 4.340 -0.000 0.000 0.231 231 R C 2.599 178.849 176.300 -0.083 0.000 1.136 231 R CA 1.438 57.495 56.100 -0.073 0.000 0.948 231 R CB -0.631 29.593 30.300 -0.126 0.000 0.845 231 R HN 0.631 nan 8.270 nan 0.000 0.430 232 H N 0.359 119.219 119.070 -0.349 0.000 2.319 232 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 232 H C 1.847 177.152 175.328 -0.038 0.000 1.092 232 H CA 1.704 57.563 56.048 -0.316 0.000 1.302 232 H CB 0.302 29.655 29.762 -0.681 0.000 1.373 232 H HN 0.105 nan 8.280 nan 0.000 0.497 233 R N 0.397 120.974 120.500 0.127 0.000 2.075 233 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 233 R C 2.554 179.051 176.300 0.328 0.000 1.126 233 R CA 0.622 56.840 56.100 0.198 0.000 0.963 233 R CB -1.083 29.369 30.300 0.253 0.000 0.858 233 R HN 0.312 nan 8.270 nan 0.000 0.435 234 L N 1.028 122.402 121.223 0.251 0.000 2.083 234 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 234 L C 2.122 179.090 176.870 0.163 0.000 1.083 234 L CA 1.452 56.452 54.840 0.265 0.000 0.752 234 L CB -0.409 41.743 42.059 0.156 0.000 0.899 234 L HN 0.067 nan 8.230 nan 0.000 0.433 235 L N -2.290 118.957 121.223 0.040 0.000 2.156 235 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 235 L C 2.292 179.092 176.870 -0.117 0.000 1.095 235 L CA 1.248 56.053 54.840 -0.058 0.000 0.770 235 L CB -0.617 41.372 42.059 -0.118 0.000 0.914 235 L HN 0.492 nan 8.230 nan 0.000 0.439 236 W N 0.185 121.314 121.300 -0.285 0.000 2.355 236 W HA -0.228 4.432 4.660 -0.000 0.000 0.309 236 W C 2.074 178.417 176.519 -0.293 0.000 1.206 236 W CA 1.352 58.478 57.345 -0.365 0.000 1.284 236 W CB -0.480 28.745 29.460 -0.391 0.000 1.145 236 W HN 0.055 nan 8.180 nan 0.000 0.502 237 W N 0.263 121.554 121.300 -0.015 0.000 2.358 237 W HA -0.131 4.529 4.660 -0.000 0.000 0.303 237 W C 2.603 178.724 176.519 -0.664 0.000 1.208 237 W CA 1.723 58.838 57.345 -0.384 0.000 1.274 237 W CB -0.761 28.403 29.460 -0.493 0.000 1.138 237 W HN -0.258 nan 8.180 nan 0.000 0.515 238 R N 0.832 121.182 120.500 -0.251 0.000 2.148 238 R HA -0.120 4.220 4.340 -0.000 0.000 0.223 238 R C 2.130 178.288 176.300 -0.237 0.000 1.088 238 R CA 1.530 57.510 56.100 -0.200 0.000 0.985 238 R CB -0.442 29.821 30.300 -0.062 0.000 0.880 238 R HN 0.294 nan 8.270 nan 0.000 0.451 239 K N -0.104 120.025 120.400 -0.451 0.000 2.283 239 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 239 K C 0.805 176.971 176.600 -0.724 0.000 1.048 239 K CA 1.305 57.227 56.287 -0.607 0.000 0.948 239 K CB -0.014 32.005 32.500 -0.801 0.000 0.742 239 K HN 0.085 nan 8.250 nan 0.000 0.458 240 F N 1.296 120.988 119.950 -0.430 0.000 2.727 240 F HA 0.357 4.883 4.527 -0.000 0.000 0.302 240 F C 1.248 177.019 175.800 -0.049 0.000 1.097 240 F CA -0.498 57.208 58.000 -0.490 0.000 1.330 240 F CB 0.141 38.611 39.000 -0.883 0.000 1.084 240 F HN 0.071 nan 8.300 nan 0.000 0.578 244 P HA -0.098 nan 4.420 nan 0.000 0.222 244 P C 1.551 178.985 177.300 0.225 0.000 1.147 244 P CA 1.126 64.381 63.100 0.258 0.000 0.790 244 P CB -0.175 31.600 31.700 0.125 0.000 0.780 245 S N -1.078 114.686 115.700 0.106 0.000 2.474 245 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 245 S C 1.667 176.252 174.600 -0.025 0.000 0.997 245 S CA 0.591 58.816 58.200 0.041 0.000 0.949 245 S CB -1.152 62.046 63.200 -0.002 0.000 0.766 245 S HN 0.043 nan 8.310 nan 0.000 0.517 246 N N 0.833 119.495 118.700 -0.063 0.000 2.550 246 N HA 0.173 4.913 4.740 -0.000 0.000 0.186 246 N C -0.867 174.354 175.510 -0.482 0.000 1.110 246 N CA 0.377 53.215 53.050 -0.353 0.000 0.912 246 N CB -0.273 37.903 38.487 -0.518 0.000 0.968 246 N HN 0.460 nan 8.380 nan 0.000 0.448 247 F N 0.467 120.380 119.950 -0.062 0.000 2.385 247 F HA 0.308 4.834 4.527 -0.000 0.000 0.360 247 F C 0.867 176.648 175.800 -0.032 0.000 1.122 247 F CA -0.753 57.226 58.000 -0.035 0.000 1.090 247 F CB 1.150 40.173 39.000 0.039 0.000 1.150 247 F HN -0.205 nan 8.300 nan 0.000 0.472 248 S N 1.459 117.217 115.700 0.098 0.000 2.740 248 S HA 0.941 5.411 4.470 -0.000 0.000 0.300 248 S C -0.639 174.051 174.600 0.150 0.000 1.147 248 S CA -0.657 57.590 58.200 0.078 0.000 0.871 248 S CB 1.885 65.072 63.200 -0.023 0.000 1.173 248 S HN 0.601 nan 8.310 nan 0.000 0.510 249 S N -0.625 115.152 115.700 0.128 0.000 2.579 249 S HA 0.928 5.398 4.470 -0.000 0.000 0.272 249 S C -0.808 173.874 174.600 0.135 0.000 1.141 249 S CA -0.565 57.734 58.200 0.165 0.000 0.843 249 S CB 1.140 64.398 63.200 0.097 0.000 1.122 249 S HN 1.971 nan 8.310 nan 0.000 0.468 250 A N 0.924 123.847 122.820 0.172 0.000 2.587 250 A HA 0.756 5.076 4.320 -0.000 0.000 0.293 250 A C -1.534 176.095 177.584 0.076 0.000 1.087 250 A CA -0.807 51.297 52.037 0.111 0.000 0.692 250 A CB 1.058 20.131 19.000 0.122 0.000 1.291 250 A HN 0.763 nan 8.150 nan 0.000 0.407 251 D N 0.146 120.574 120.400 0.047 0.000 2.329 251 D HA 0.545 5.185 4.640 -0.000 0.000 0.246 251 D C 0.084 176.411 176.300 0.045 0.000 1.111 251 D CA 0.491 54.511 54.000 0.033 0.000 0.941 251 D CB 1.255 42.079 40.800 0.040 0.000 1.169 251 D HN 0.917 nan 8.370 nan 0.000 0.441 252 C N -0.369 118.954 119.300 0.038 0.000 3.318 252 C HA 0.786 5.246 4.460 -0.000 0.000 0.322 252 C C -1.210 173.905 174.990 0.208 0.000 1.398 252 C CA -0.910 58.167 59.018 0.099 0.000 1.339 252 C CB 1.503 29.281 27.740 0.064 0.000 1.668 252 C HN 0.730 nan 8.230 nan 0.000 0.462 253 Q N 0.753 120.726 119.800 0.288 0.000 2.421 253 Q HA 0.690 5.030 4.340 -0.000 0.000 0.280 253 Q C -1.328 174.872 176.000 0.333 0.000 1.085 253 Q CA -0.325 55.689 55.803 0.352 0.000 0.807 253 Q CB 2.249 31.101 28.738 0.189 0.000 1.405 253 Q HN 0.820 nan 8.270 nan 0.000 0.419 254 D N 0.342 120.831 120.400 0.147 0.000 2.511 254 D HA 0.024 4.664 4.640 -0.000 0.000 0.276 254 D C 0.659 176.929 176.300 -0.050 0.000 1.220 254 D CA 0.069 54.004 54.000 -0.109 0.000 1.077 254 D CB 0.449 40.873 40.800 -0.628 0.000 1.126 254 D HN 0.761 nan 8.370 nan 0.000 0.583 255 E N -0.516 119.633 120.200 -0.085 0.000 2.130 255 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 255 E C 1.807 178.382 176.600 -0.043 0.000 0.998 255 E CA 1.170 57.542 56.400 -0.046 0.000 0.806 255 E CB -0.519 29.147 29.700 -0.056 0.000 0.738 255 E HN 0.391 nan 8.360 nan 0.000 0.459 256 L N 0.033 121.211 121.223 -0.074 0.000 2.591 256 L HA 0.246 4.585 4.340 -0.000 0.000 0.228 256 L C 1.391 178.247 176.870 -0.023 0.000 1.133 256 L CA 0.325 55.134 54.840 -0.052 0.000 0.880 256 L CB -0.240 41.775 42.059 -0.073 0.000 1.033 256 L HN 0.493 nan 8.230 nan 0.000 0.450 257 G N 0.629 109.425 108.800 -0.007 0.000 2.179 257 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 257 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 257 G C 0.393 175.324 174.900 0.053 0.000 0.977 257 G CA -0.213 44.905 45.100 0.030 0.000 0.641 257 G HN 0.381 nan 8.290 nan 0.000 0.533 258 R N 0.576 121.093 120.500 0.029 0.000 2.543 258 R HA 0.410 4.750 4.340 -0.000 0.000 0.277 258 R C 0.441 176.876 176.300 0.226 0.000 1.074 258 R CA 0.024 56.175 56.100 0.085 0.000 1.076 258 R CB 0.613 30.922 30.300 0.016 0.000 0.993 258 R HN 0.198 nan 8.270 nan 0.000 0.459 259 K N 1.019 121.568 120.400 0.249 0.000 2.174 259 K HA 0.394 4.714 4.320 -0.000 0.000 0.275 259 K C 0.152 176.969 176.600 0.363 0.000 1.015 259 K CA -0.303 56.149 56.287 0.275 0.000 0.933 259 K CB 1.774 34.378 32.500 0.174 0.000 1.025 259 K HN 0.784 nan 8.250 nan 0.000 0.463 260 G N 0.276 109.214 108.800 0.230 0.000 2.782 260 G HA2 0.517 4.477 3.960 -0.000 0.000 0.304 260 G HA3 0.517 4.477 3.960 -0.000 0.000 0.304 260 G C -1.335 173.462 174.900 -0.171 0.000 1.315 260 G CA -0.421 44.630 45.100 -0.082 0.000 0.791 260 G HN 0.448 nan 8.290 nan 0.000 0.519 261 S N -0.980 114.535 115.700 -0.308 0.000 2.579 261 S HA 0.693 5.163 4.470 -0.000 0.000 0.272 261 S C -1.059 173.369 174.600 -0.287 0.000 1.141 261 S CA -0.745 57.339 58.200 -0.193 0.000 0.843 261 S CB 2.289 65.448 63.200 -0.068 0.000 1.122 261 S HN 0.578 nan 8.310 nan 0.000 0.468 262 K N 1.153 121.440 120.400 -0.187 0.000 2.435 262 K HA 0.651 4.971 4.320 -0.000 0.000 0.251 262 K C -1.395 175.060 176.600 -0.241 0.000 0.954 262 K CA -0.694 55.413 56.287 -0.301 0.000 0.820 262 K CB 1.793 34.034 32.500 -0.432 0.000 1.292 262 K HN 0.409 nan 8.250 nan 0.000 0.436 263 L N 2.375 123.396 121.223 -0.335 0.000 2.334 263 L HA 0.566 4.906 4.340 -0.000 0.000 0.276 263 L C -1.095 175.511 176.870 -0.440 0.000 1.014 263 L CA -1.012 53.705 54.840 -0.204 0.000 0.815 263 L CB 0.691 42.700 42.059 -0.083 0.000 1.268 263 L HN 0.533 nan 8.230 nan 0.000 0.428 264 Y N 0.583 120.810 120.300 -0.121 0.000 2.545 264 Y HA 0.458 5.008 4.550 -0.000 0.000 0.348 264 Y C -0.840 174.901 175.900 -0.265 0.000 1.002 264 Y CA -0.808 57.191 58.100 -0.169 0.000 1.039 264 Y CB 1.982 40.344 38.460 -0.162 0.000 1.271 264 Y HN 0.329 nan 8.280 nan 0.000 0.467 265 Y N 0.342 120.431 120.300 -0.351 0.000 2.393 265 Y HA 0.544 5.094 4.550 -0.000 0.000 0.341 265 Y C -0.418 175.059 175.900 -0.705 0.000 0.988 265 Y CA -1.140 56.475 58.100 -0.808 0.000 1.078 265 Y CB 1.732 39.465 38.460 -1.211 0.000 1.203 265 Y HN 0.556 nan 8.280 nan 0.000 0.453 266 S N 7.255 122.037 115.700 -1.529 0.000 2.681 266 S HA 0.272 4.742 4.470 -0.000 0.000 0.313 266 S C -0.597 173.193 174.600 -1.350 0.000 1.137 266 S CA -0.354 57.183 58.200 -1.105 0.000 1.045 266 S CB -0.992 61.717 63.200 -0.818 0.000 1.208 266 S HN 0.456 nan 8.310 nan 0.000 0.523 267 F N 2.883 122.211 119.950 -1.037 0.000 2.403 267 F HA 0.261 4.788 4.527 -0.000 0.000 0.320 267 F C -1.025 174.180 175.800 -0.991 0.000 1.176 267 F CA -1.889 55.391 58.000 -1.200 0.000 1.206 267 F CB -0.124 37.576 39.000 -2.167 0.000 1.235 267 F HN 0.309 nan 8.300 nan 0.000 0.565 268 P HA -0.201 nan 4.420 nan 0.000 0.216 268 P C 1.078 178.346 177.300 -0.053 0.000 1.150 268 P CA 1.903 64.921 63.100 -0.138 0.000 0.843 268 P CB -0.190 31.586 31.700 0.128 0.000 0.787 269 W N -0.940 120.339 121.300 -0.036 0.000 2.800 269 W HA 0.439 5.099 4.660 -0.000 0.000 0.249 269 W C 0.480 176.975 176.519 -0.042 0.000 1.294 269 W CA 0.594 57.915 57.345 -0.039 0.000 1.402 269 W CB -0.331 29.098 29.460 -0.053 0.000 1.126 269 W HN 0.024 nan 8.180 nan 0.000 0.652 270 G N 0.360 108.909 108.800 -0.419 0.000 2.368 270 G HA2 0.055 4.015 3.960 -0.000 0.000 0.302 270 G HA3 0.055 4.015 3.960 -0.000 0.000 0.302 270 G C -1.396 173.282 174.900 -0.370 0.000 1.329 270 G CA -1.411 43.523 45.100 -0.277 0.000 0.935 270 G HN 0.034 nan 8.290 nan 0.000 0.590 271 K N 0.663 120.926 120.400 -0.228 0.000 2.298 271 K HA 0.489 4.809 4.320 -0.000 0.000 0.280 271 K C -0.542 176.100 176.600 0.070 0.000 1.032 271 K CA -0.220 55.967 56.287 -0.167 0.000 0.958 271 K CB 0.983 33.325 32.500 -0.263 0.000 0.978 271 K HN 0.392 nan 8.250 nan 0.000 0.472 272 E N 3.316 123.645 120.200 0.215 0.000 2.248 272 E HA 0.274 4.624 4.350 -0.000 0.000 0.267 272 E C -2.573 174.150 176.600 0.204 0.000 0.877 272 E CA -2.300 54.268 56.400 0.280 0.000 0.759 272 E CB 1.871 31.767 29.700 0.327 0.000 1.182 272 E HN 0.368 nan 8.360 nan 0.000 0.418 273 P HA 0.165 nan 4.420 nan 0.000 0.276 273 P C 0.667 177.855 177.300 -0.187 0.000 1.243 273 P CA 0.045 62.927 63.100 -0.363 0.000 0.768 273 P CB 0.600 32.093 31.700 -0.345 0.000 0.856 274 I N -0.136 120.278 120.570 -0.260 0.000 4.181 274 I HA 0.424 4.594 4.170 -0.000 0.000 0.331 274 I C 0.229 176.284 176.117 -0.102 0.000 1.312 274 I CA 0.087 61.269 61.300 -0.197 0.000 1.146 274 I CB 0.461 38.199 38.000 -0.437 0.000 1.074 274 I HN 0.229 nan 8.210 nan 0.000 0.402 275 E N 1.663 121.777 120.200 -0.142 0.000 2.363 275 E HA 0.400 4.750 4.350 -0.000 0.000 0.281 275 E C -1.049 175.468 176.600 -0.138 0.000 0.953 275 E CA -0.554 55.838 56.400 -0.013 0.000 0.778 275 E CB 1.833 31.650 29.700 0.195 0.000 1.220 275 E HN 0.281 nan 8.360 nan 0.000 0.431 276 T N 1.268 115.744 114.554 -0.130 0.000 2.841 276 T HA 0.718 5.068 4.350 -0.000 0.000 0.283 276 T C -0.920 173.604 174.700 -0.292 0.000 1.000 276 T CA -0.789 61.131 62.100 -0.299 0.000 0.977 276 T CB 0.835 69.518 68.868 -0.307 0.000 0.979 276 T HN 0.235 nan 8.240 nan 0.000 0.446 277 L N 2.701 123.668 121.223 -0.427 0.000 2.356 277 L HA 0.662 5.002 4.340 -0.000 0.000 0.277 277 L C -1.074 175.568 176.870 -0.382 0.000 0.996 277 L CA -0.440 54.242 54.840 -0.262 0.000 0.822 277 L CB 1.586 43.585 42.059 -0.100 0.000 1.256 277 L HN 0.757 nan 8.230 nan 0.000 0.413 278 W N 1.968 123.290 121.300 0.036 0.000 2.785 278 W HA 0.440 5.100 4.660 0.000 0.000 0.333 278 W C 0.142 176.686 176.519 0.043 0.000 1.062 278 W CA -0.615 56.752 57.345 0.036 0.000 1.233 278 W CB 1.616 31.087 29.460 0.018 0.000 1.413 278 W HN 0.335 nan 8.180 nan 0.000 0.489 279 N N 3.447 122.367 118.700 0.366 0.000 2.558 279 N HA 0.183 4.923 4.740 -0.000 0.000 0.233 279 N C 0.205 175.825 175.510 0.183 0.000 1.038 279 N CA 0.039 53.228 53.050 0.232 0.000 0.934 279 N CB 0.638 39.249 38.487 0.206 0.000 1.175 279 N HN 0.578 nan 8.380 nan 0.000 0.512 280 L N 2.173 123.470 121.223 0.123 0.000 2.492 280 L HA 0.198 4.538 4.340 -0.000 0.000 0.223 280 L C 1.597 178.485 176.870 0.029 0.000 1.132 280 L CA 0.395 55.263 54.840 0.047 0.000 0.850 280 L CB -0.756 41.307 42.059 0.007 0.000 0.966 280 L HN 0.707 nan 8.230 nan 0.000 0.454 281 G N 1.931 110.759 108.800 0.046 0.000 2.552 281 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.265 281 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.265 281 G C 0.152 175.065 174.900 0.022 0.000 1.234 281 G CA 0.434 45.557 45.100 0.039 0.000 0.944 281 G HN 0.501 nan 8.290 nan 0.000 0.568 282 D N -1.029 119.386 120.400 0.025 0.000 2.474 282 D HA 0.132 4.772 4.640 -0.000 0.000 0.213 282 D C 1.964 178.290 176.300 0.044 0.000 1.120 282 D CA 1.063 55.079 54.000 0.026 0.000 0.836 282 D CB -0.235 40.580 40.800 0.024 0.000 1.019 282 D HN 0.645 nan 8.370 nan 0.000 0.507 283 Q N 0.632 120.458 119.800 0.043 0.000 2.077 283 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 283 Q C 1.396 177.459 176.000 0.105 0.000 0.989 283 Q CA 1.723 57.563 55.803 0.062 0.000 0.853 283 Q CB -0.167 28.592 28.738 0.035 0.000 0.907 283 Q HN 0.316 nan 8.270 nan 0.000 0.418 284 E N 0.899 121.153 120.200 0.090 0.000 2.085 284 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 284 E C 1.793 178.503 176.600 0.184 0.000 0.994 284 E CA 0.740 57.227 56.400 0.145 0.000 0.801 284 E CB -0.234 29.521 29.700 0.091 0.000 0.743 284 E HN 0.131 nan 8.360 nan 0.000 0.453 285 L N 0.187 121.490 121.223 0.134 0.000 2.017 285 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 285 L C 1.929 178.925 176.870 0.210 0.000 1.073 285 L CA 1.554 56.490 54.840 0.161 0.000 0.745 285 L CB -0.390 41.691 42.059 0.037 0.000 0.894 285 L HN 0.165 nan 8.230 nan 0.000 0.432 286 L N -1.447 119.864 121.223 0.148 0.000 2.131 286 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 286 L C 2.528 179.470 176.870 0.121 0.000 1.092 286 L CA 1.385 56.306 54.840 0.136 0.000 0.759 286 L CB -0.798 41.319 42.059 0.097 0.000 0.903 286 L HN 0.417 nan 8.230 nan 0.000 0.435 287 H N -0.161 118.952 119.070 0.071 0.000 2.456 287 H HA -0.121 4.435 4.556 -0.000 0.000 0.296 287 H C 2.031 177.364 175.328 0.008 0.000 1.079 287 H CA 1.816 57.888 56.048 0.039 0.000 1.322 287 H CB 0.137 29.921 29.762 0.037 0.000 1.388 287 H HN 0.156 nan 8.280 nan 0.000 0.538 288 T N -0.975 113.555 114.554 -0.039 0.000 2.978 288 T HA -0.038 4.311 4.350 -0.000 0.000 0.262 288 T C -0.290 174.121 174.700 -0.482 0.000 1.063 288 T CA 0.712 62.660 62.100 -0.255 0.000 1.140 288 T CB -0.006 68.740 68.868 -0.204 0.000 0.886 288 T HN 0.268 nan 8.240 nan 0.000 0.470 289 Y N 1.879 122.158 120.300 -0.034 0.000 2.837 289 Y HA 0.378 4.928 4.550 -0.000 0.000 0.356 289 Y C -2.635 173.240 175.900 -0.041 0.000 1.035 289 Y CA -3.236 54.848 58.100 -0.026 0.000 1.165 289 Y CB 0.386 38.857 38.460 0.018 0.000 1.147 289 Y HN 0.021 nan 8.280 nan 0.000 0.628 290 P HA 0.167 nan 4.420 nan 0.000 0.268 290 P C 1.126 178.444 177.300 0.030 0.000 1.205 290 P CA 1.131 64.228 63.100 -0.004 0.000 0.771 290 P CB 1.314 32.978 31.700 -0.060 0.000 0.858 291 G N 3.357 112.173 108.800 0.027 0.000 4.825 291 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.224 291 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.224 291 G C 0.775 175.695 174.900 0.033 0.000 1.356 291 G CA 0.121 45.236 45.100 0.025 0.000 0.966 291 G HN 0.562 nan 8.290 nan 0.000 0.690 292 N N 1.880 120.608 118.700 0.046 0.000 3.063 292 N HA 0.232 4.972 4.740 -0.000 0.000 0.327 292 N C 1.490 177.016 175.510 0.027 0.000 1.225 292 N CA 0.820 53.892 53.050 0.038 0.000 1.184 292 N CB 0.564 39.085 38.487 0.056 0.000 1.438 292 N HN 0.408 nan 8.380 nan 0.000 0.555 293 V N -0.200 119.727 119.914 0.021 0.000 2.515 293 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 293 V C 2.178 178.268 176.094 -0.007 0.000 1.058 293 V CA 1.624 63.931 62.300 0.013 0.000 1.064 293 V CB -0.277 31.557 31.823 0.019 0.000 0.675 293 V HN 0.488 nan 8.190 nan 0.000 0.461 294 S N 0.020 115.715 115.700 -0.009 0.000 2.419 294 S HA -0.203 4.267 4.470 -0.000 0.000 0.235 294 S C 1.990 176.567 174.600 -0.038 0.000 1.019 294 S CA 2.274 60.463 58.200 -0.018 0.000 0.982 294 S CB -0.443 62.747 63.200 -0.016 0.000 0.789 294 S HN 0.926 nan 8.310 nan 0.000 0.490 295 T N -0.483 114.039 114.554 -0.053 0.000 3.100 295 T HA 0.176 4.526 4.350 -0.000 0.000 0.253 295 T C 1.411 176.026 174.700 -0.142 0.000 1.118 295 T CA 0.537 62.581 62.100 -0.093 0.000 1.058 295 T CB -0.540 68.276 68.868 -0.086 0.000 0.953 295 T HN 0.665 nan 8.240 nan 0.000 0.515 296 I N -2.066 118.442 120.570 -0.102 0.000 4.018 296 I HA 0.389 4.559 4.170 -0.000 0.000 0.337 296 I C 0.138 176.299 176.117 0.074 0.000 1.327 296 I CA -0.885 60.402 61.300 -0.022 0.000 1.100 296 I CB -0.188 37.761 38.000 -0.085 0.000 1.025 296 I HN 0.012 nan 8.210 nan 0.000 0.396 297 Q N 2.616 122.424 119.800 0.014 0.000 2.286 297 Q HA 0.527 4.867 4.340 -0.000 0.000 0.257 297 Q C 0.300 176.319 176.000 0.031 0.000 0.941 297 Q CA -0.193 55.629 55.803 0.032 0.000 0.912 297 Q CB 1.709 30.453 28.738 0.011 0.000 1.192 297 Q HN 0.521 nan 8.270 nan 0.000 0.410 298 G N 1.832 110.671 108.800 0.064 0.000 2.509 298 G HA2 0.526 4.486 3.960 -0.000 0.000 0.328 298 G HA3 0.526 4.486 3.960 -0.000 0.000 0.328 298 G C -0.807 174.116 174.900 0.039 0.000 1.194 298 G CA -0.837 44.299 45.100 0.061 0.000 0.967 298 G HN 0.486 nan 8.290 nan 0.000 0.488 299 R N 0.213 120.732 120.500 0.032 0.000 2.254 299 R HA 0.308 4.648 4.340 -0.000 0.000 0.318 299 R C -1.143 175.180 176.300 0.038 0.000 1.031 299 R CA -0.476 55.639 56.100 0.026 0.000 0.905 299 R CB 1.411 31.720 30.300 0.014 0.000 1.050 299 R HN 0.437 nan 8.270 nan 0.000 0.456 300 D N 2.979 123.402 120.400 0.038 0.000 2.458 300 D HA 0.264 4.904 4.640 -0.000 0.000 0.258 300 D C 0.912 177.235 176.300 0.038 0.000 1.134 300 D CA 0.426 54.453 54.000 0.046 0.000 0.915 300 D CB 0.568 41.398 40.800 0.050 0.000 1.028 300 D HN 0.661 nan 8.370 nan 0.000 0.508 301 G N 4.338 113.159 108.800 0.035 0.000 2.602 301 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.310 301 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.310 301 G C 1.121 176.033 174.900 0.020 0.000 1.183 301 G CA 0.199 45.315 45.100 0.027 0.000 0.979 301 G HN 0.502 nan 8.290 nan 0.000 0.545 302 R N 1.225 121.736 120.500 0.018 0.000 2.280 302 R HA 0.130 4.470 4.340 -0.000 0.000 0.195 302 R C 0.698 177.006 176.300 0.014 0.000 0.935 302 R CA 0.516 56.624 56.100 0.013 0.000 1.033 302 R CB 0.106 30.413 30.300 0.012 0.000 0.964 302 R HN 0.462 nan 8.270 nan 0.000 0.489 303 K N 1.482 121.893 120.400 0.019 0.000 2.143 303 K HA 0.199 4.519 4.320 -0.000 0.000 0.272 303 K C -0.278 176.333 176.600 0.019 0.000 1.001 303 K CA -0.493 55.805 56.287 0.019 0.000 0.915 303 K CB 0.887 33.401 32.500 0.024 0.000 1.047 303 K HN -0.166 nan 8.250 nan 0.000 0.458 304 N N 2.074 120.784 118.700 0.016 0.000 2.425 304 N HA 0.288 5.028 4.740 -0.000 0.000 0.268 304 N C -1.031 174.491 175.510 0.021 0.000 0.991 304 N CA -0.403 52.657 53.050 0.016 0.000 0.931 304 N CB 1.641 40.132 38.487 0.008 0.000 1.130 304 N HN 0.370 nan 8.380 nan 0.000 0.493 305 V N -0.818 119.113 119.914 0.028 0.000 3.049 305 V HA 0.547 4.667 4.120 -0.000 0.000 0.309 305 V C -0.172 175.943 176.094 0.035 0.000 1.148 305 V CA -0.982 61.336 62.300 0.030 0.000 0.990 305 V CB 1.622 33.466 31.823 0.035 0.000 1.039 305 V HN 0.164 nan 8.190 nan 0.000 0.430 306 V N 5.050 124.980 119.914 0.027 0.000 2.470 306 V HA 0.324 4.443 4.120 -0.000 0.000 0.276 306 V C -1.553 174.549 176.094 0.013 0.000 1.040 306 V CA -0.730 61.580 62.300 0.017 0.000 1.008 306 V CB 0.731 32.559 31.823 0.009 0.000 0.990 306 V HN 0.960 nan 8.190 nan 0.000 0.477 307 P HA 0.146 nan 4.420 nan 0.000 0.274 307 P C -0.244 177.058 177.300 0.003 0.000 1.246 307 P CA -0.454 62.652 63.100 0.011 0.000 0.795 307 P CB 0.838 32.551 31.700 0.021 0.000 1.006 308 C N 1.818 121.127 119.300 0.016 0.000 2.539 308 C HA 0.380 4.840 4.460 -0.000 0.000 0.392 308 C C 0.038 175.008 174.990 -0.032 0.000 1.269 308 C CA -0.129 58.901 59.018 0.019 0.000 2.250 308 C CB -0.538 27.239 27.740 0.062 0.000 2.584 308 C HN 0.325 nan 8.230 nan 0.000 0.589 309 V N 7.234 127.113 119.914 -0.058 0.000 2.417 309 V HA 0.450 4.569 4.120 -0.000 0.000 0.291 309 V C -0.058 175.985 176.094 -0.084 0.000 1.024 309 V CA -0.305 61.877 62.300 -0.196 0.000 0.861 309 V CB 1.338 33.039 31.823 -0.203 0.000 0.985 309 V HN 0.742 nan 8.190 nan 0.000 0.436 310 L N 3.286 124.461 121.223 -0.080 0.000 2.329 310 L HA 0.613 4.953 4.340 -0.000 0.000 0.279 310 L C 0.144 176.989 176.870 -0.042 0.000 1.014 310 L CA -0.247 54.621 54.840 0.046 0.000 0.814 310 L CB 1.956 44.123 42.059 0.181 0.000 1.257 310 L HN 0.606 nan 8.230 nan 0.000 0.424 311 S N 1.861 117.581 115.700 0.033 0.000 2.449 311 S HA 0.632 5.102 4.470 -0.000 0.000 0.310 311 S C -0.664 173.935 174.600 -0.002 0.000 1.096 311 S CA -0.470 57.739 58.200 0.014 0.000 1.095 311 S CB 1.159 64.430 63.200 0.120 0.000 1.007 311 S HN 0.313 nan 8.310 nan 0.000 0.474 312 V N 5.073 124.942 119.914 -0.076 0.000 2.325 312 V HA 0.493 4.613 4.120 -0.000 0.000 0.280 312 V C -0.673 175.420 176.094 -0.003 0.000 1.016 312 V CA -0.578 61.669 62.300 -0.088 0.000 0.818 312 V CB 1.272 32.936 31.823 -0.266 0.000 1.019 312 V HN 0.872 nan 8.190 nan 0.000 0.434 313 S N 3.036 118.752 115.700 0.027 0.000 2.605 313 S HA 0.786 5.256 4.470 -0.000 0.000 0.308 313 S C 0.243 174.885 174.600 0.070 0.000 1.113 313 S CA -0.641 57.585 58.200 0.043 0.000 1.049 313 S CB 1.940 65.169 63.200 0.049 0.000 1.001 313 S HN 0.921 nan 8.310 nan 0.000 0.480 314 G N 0.670 109.515 108.800 0.076 0.000 2.400 314 G HA2 0.516 4.476 3.960 -0.000 0.000 0.333 314 G HA3 0.516 4.476 3.960 -0.000 0.000 0.333 314 G C -1.323 173.655 174.900 0.129 0.000 1.143 314 G CA -0.500 44.719 45.100 0.198 0.000 0.914 314 G HN 0.559 nan 8.290 nan 0.000 0.480 315 D N 2.164 122.683 120.400 0.198 0.000 2.411 315 D HA 0.163 4.803 4.640 -0.000 0.000 0.225 315 D C 1.517 177.965 176.300 0.247 0.000 1.156 315 D CA -0.532 53.560 54.000 0.153 0.000 0.874 315 D CB 1.451 42.315 40.800 0.106 0.000 1.034 315 D HN -0.021 nan 8.370 nan 0.000 0.502 316 V N 3.605 123.618 119.914 0.165 0.000 2.490 316 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 316 V C 1.665 177.896 176.094 0.228 0.000 1.061 316 V CA 1.453 63.869 62.300 0.192 0.000 1.064 316 V CB -0.217 31.628 31.823 0.037 0.000 0.670 316 V HN 0.500 nan 8.190 nan 0.000 0.461 317 D N -0.074 120.461 120.400 0.225 0.000 2.103 317 D HA -0.094 4.546 4.640 -0.000 0.000 0.199 317 D C 1.970 178.496 176.300 0.376 0.000 0.978 317 D CA 0.927 55.135 54.000 0.347 0.000 0.829 317 D CB -0.260 40.741 40.800 0.335 0.000 0.981 317 D HN 0.345 nan 8.370 nan 0.000 0.464 318 L N 1.109 122.495 121.223 0.273 0.000 2.141 318 L HA 0.055 4.395 4.340 -0.000 0.000 0.209 318 L C 2.126 179.181 176.870 0.308 0.000 1.094 318 L CA 1.596 56.600 54.840 0.273 0.000 0.763 318 L CB -0.806 41.365 42.059 0.187 0.000 0.908 318 L HN 0.037 nan 8.230 nan 0.000 0.437 319 G N -1.996 106.996 108.800 0.320 0.000 2.408 319 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 319 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 319 G C 1.437 176.575 174.900 0.395 0.000 1.150 319 G CA 1.100 46.447 45.100 0.412 0.000 0.776 319 G HN 0.407 nan 8.290 nan 0.000 0.542 320 T N 1.474 116.245 114.554 0.362 0.000 2.708 320 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 320 T C 2.424 177.310 174.700 0.311 0.000 1.037 320 T CA 0.982 63.245 62.100 0.271 0.000 1.146 320 T CB -0.243 68.611 68.868 -0.024 0.000 0.865 320 T HN 0.153 nan 8.240 nan 0.000 0.435 321 L N 0.742 122.210 121.223 0.409 0.000 2.083 321 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 321 L C 3.047 180.201 176.870 0.473 0.000 1.083 321 L CA 1.137 56.264 54.840 0.479 0.000 0.752 321 L CB -0.716 41.655 42.059 0.520 0.000 0.899 321 L HN 0.249 nan 8.230 nan 0.000 0.433 322 A N -0.474 122.451 122.820 0.175 0.000 1.883 322 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 322 A C 2.029 179.260 177.584 -0.589 0.000 1.186 322 A CA 1.674 53.262 52.037 -0.747 0.000 0.624 322 A CB -0.869 17.413 19.000 -1.196 0.000 0.822 322 A HN 0.368 nan 8.150 nan 0.000 0.444 323 Y N -0.154 120.116 120.300 -0.051 0.000 2.293 323 Y HA -0.030 4.519 4.550 -0.000 0.000 0.291 323 Y C 2.160 178.060 175.900 0.000 0.000 1.137 323 Y CA 0.964 59.076 58.100 0.021 0.000 1.202 323 Y CB -0.468 38.031 38.460 0.065 0.000 0.990 323 Y HN 0.184 nan 8.280 nan 0.000 0.537 324 L N -1.875 119.423 121.223 0.124 0.000 2.017 324 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 324 L C 2.050 178.898 176.870 -0.037 0.000 1.073 324 L CA 1.515 56.325 54.840 -0.050 0.000 0.745 324 L CB -0.751 41.238 42.059 -0.118 0.000 0.894 324 L HN 0.179 nan 8.230 nan 0.000 0.432 325 Y N 0.008 120.328 120.300 0.033 0.000 2.145 325 Y HA -0.326 4.223 4.550 -0.000 0.000 0.286 325 Y C 2.436 178.419 175.900 0.138 0.000 1.145 325 Y CA 1.961 60.118 58.100 0.095 0.000 1.148 325 Y CB -0.392 38.173 38.460 0.174 0.000 0.981 325 Y HN 0.287 nan 8.280 nan 0.000 0.507 326 D N -0.654 119.885 120.400 0.231 0.000 2.178 326 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 326 D C 2.074 178.508 176.300 0.224 0.000 0.980 326 D CA 1.480 55.624 54.000 0.240 0.000 0.842 326 D CB -0.156 40.772 40.800 0.214 0.000 0.948 326 D HN 0.290 nan 8.370 nan 0.000 0.472 327 S N -1.057 114.760 115.700 0.195 0.000 2.489 327 S HA -0.047 4.422 4.470 -0.000 0.000 0.228 327 S C 0.707 175.409 174.600 0.171 0.000 0.995 327 S CA -0.525 57.768 58.200 0.155 0.000 0.934 327 S CB -0.564 62.691 63.200 0.091 0.000 0.771 327 S HN 0.215 nan 8.310 nan 0.000 0.522 328 F N 3.722 123.682 119.950 0.016 0.000 2.506 328 F HA 0.366 4.893 4.527 -0.000 0.000 0.371 328 F C 0.218 176.030 175.800 0.020 0.000 1.078 328 F CA -0.669 57.329 58.000 -0.003 0.000 1.195 328 F CB 0.196 39.189 39.000 -0.012 0.000 1.099 328 F HN 0.229 nan 8.300 nan 0.000 0.548 329 Q N 6.994 126.620 119.800 -0.290 0.000 2.292 329 Q HA 0.315 4.655 4.340 -0.000 0.000 0.270 329 Q C -0.997 174.732 176.000 -0.452 0.000 1.024 329 Q CA -0.918 54.707 55.803 -0.298 0.000 0.768 329 Q CB 2.453 31.119 28.738 -0.120 0.000 1.250 329 Q HN 0.605 nan 8.270 nan 0.000 0.447 330 L N 2.203 123.147 121.223 -0.465 0.000 2.796 330 L HA 0.385 4.724 4.340 -0.000 0.000 0.235 330 L C -0.010 176.742 176.870 -0.198 0.000 1.344 330 L CA 0.142 54.754 54.840 -0.380 0.000 1.245 330 L CB 0.209 42.070 42.059 -0.330 0.000 1.556 330 L HN 0.573 nan 8.230 nan 0.000 0.423 331 A N -0.041 122.679 122.820 -0.167 0.000 2.299 331 A HA 1.017 5.337 4.320 -0.000 0.000 0.332 331 A C 0.117 177.658 177.584 -0.070 0.000 1.131 331 A CA 0.376 52.355 52.037 -0.097 0.000 0.844 331 A CB 1.184 20.136 19.000 -0.080 0.000 1.251 331 A HN 0.346 nan 8.150 nan 0.000 0.486 344 K N 1.445 121.842 120.400 -0.005 0.000 2.156 344 K HA 0.673 4.993 4.320 -0.000 0.000 0.254 344 K C -1.027 175.579 176.600 0.009 0.000 0.950 344 K CA -0.879 55.392 56.287 -0.028 0.000 0.849 344 K CB 2.708 35.291 32.500 0.138 0.000 1.100 344 K HN 0.173 nan 8.250 nan 0.000 0.434 345 V N 4.037 123.936 119.914 -0.025 0.000 2.789 345 V HA 0.447 4.567 4.120 -0.000 0.000 0.311 345 V C -1.584 174.544 176.094 0.058 0.000 1.073 345 V CA -0.929 61.383 62.300 0.020 0.000 0.921 345 V CB 1.570 33.387 31.823 -0.010 0.000 1.009 345 V HN 0.619 nan 8.190 nan 0.000 0.426 346 L N 6.403 127.671 121.223 0.075 0.000 2.262 346 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 346 L C 0.315 177.210 176.870 0.042 0.000 1.035 346 L CA -0.411 54.466 54.840 0.063 0.000 0.820 346 L CB 1.348 43.403 42.059 -0.007 0.000 1.204 346 L HN 0.590 nan 8.230 nan 0.000 0.424 347 K N 5.309 125.736 120.400 0.045 0.000 2.765 347 K HA 0.356 4.676 4.320 -0.000 0.000 0.246 347 K C -0.313 176.320 176.600 0.054 0.000 1.254 347 K CA -0.321 55.986 56.287 0.034 0.000 1.219 347 K CB 0.256 32.773 32.500 0.028 0.000 1.747 347 K HN 0.533 nan 8.250 nan 0.000 0.372 348 L N 1.487 122.740 121.223 0.049 0.000 2.456 348 L HA 0.040 4.380 4.340 -0.000 0.000 0.272 348 L C 1.264 178.172 176.870 0.064 0.000 1.189 348 L CA -0.203 54.672 54.840 0.059 0.000 0.846 348 L CB 0.093 42.178 42.059 0.044 0.000 1.111 348 L HN 0.429 nan 8.230 nan 0.000 0.475 349 H N 4.704 123.762 119.070 -0.021 0.000 3.038 349 H HA -0.036 4.519 4.556 -0.000 0.000 0.338 349 H C -1.752 173.573 175.328 -0.004 0.000 1.041 349 H CA -0.843 55.205 56.048 0.000 0.000 1.394 349 H CB 1.334 31.115 29.762 0.032 0.000 1.357 349 H HN 0.356 nan 8.280 nan 0.000 0.600 350 P HA -0.148 nan 4.420 nan 0.000 0.216 350 P C 1.346 178.701 177.300 0.093 0.000 1.150 350 P CA 1.453 64.514 63.100 -0.065 0.000 0.843 350 P CB 0.013 31.633 31.700 -0.135 0.000 0.787 351 C N -2.133 117.355 119.300 0.313 0.000 2.481 351 C HA 0.084 4.544 4.460 -0.000 0.000 0.275 351 C C 2.543 177.516 174.990 -0.029 0.000 1.419 351 C CA 0.350 59.467 59.018 0.166 0.000 1.773 351 C CB -1.627 26.245 27.740 0.221 0.000 1.862 351 C HN 0.203 nan 8.230 nan 0.000 0.530 352 L N 0.405 121.588 121.223 -0.067 0.000 2.470 352 L HA 0.221 4.561 4.340 -0.000 0.000 0.219 352 L C 1.612 178.455 176.870 -0.045 0.000 1.071 352 L CA 0.078 54.811 54.840 -0.179 0.000 0.850 352 L CB -0.682 41.167 42.059 -0.351 0.000 1.040 352 L HN 0.130 nan 8.230 nan 0.000 0.475 353 A N 1.989 124.819 122.820 0.016 0.000 2.548 353 A HA 0.103 4.423 4.320 -0.000 0.000 0.247 353 A C -1.344 176.279 177.584 0.064 0.000 1.067 353 A CA -0.781 51.296 52.037 0.067 0.000 0.757 353 A CB -0.236 18.799 19.000 0.058 0.000 0.996 353 A HN 0.051 nan 8.150 nan 0.000 0.504 354 P HA -0.013 nan 4.420 nan 0.000 0.219 354 P C 0.149 177.469 177.300 0.034 0.000 1.150 354 P CA 1.123 64.245 63.100 0.037 0.000 0.814 354 P CB 0.121 31.817 31.700 -0.005 0.000 0.787 355 I N 0.175 120.768 120.570 0.037 0.000 2.382 355 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 355 I C 1.262 177.408 176.117 0.050 0.000 1.002 355 I CA -0.795 60.534 61.300 0.047 0.000 1.135 355 I CB 1.975 39.989 38.000 0.023 0.000 1.288 355 I HN -0.317 nan 8.210 nan 0.000 0.448 356 K N 4.403 124.848 120.400 0.075 0.000 2.137 356 K HA 0.215 4.535 4.320 -0.000 0.000 0.202 356 K C 0.307 176.981 176.600 0.123 0.000 1.052 356 K CA 0.928 57.277 56.287 0.102 0.000 0.961 356 K CB 0.260 32.836 32.500 0.127 0.000 0.741 356 K HN 0.363 nan 8.250 nan 0.000 0.452 357 V N 0.245 120.222 119.914 0.103 0.000 2.888 357 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 357 V C -1.147 174.976 176.094 0.048 0.000 1.114 357 V CA -1.380 60.983 62.300 0.105 0.000 0.940 357 V CB 1.982 33.880 31.823 0.125 0.000 1.021 357 V HN 0.182 nan 8.190 nan 0.000 0.426 358 A N 4.458 127.252 122.820 -0.044 0.000 2.330 358 A HA 0.944 5.264 4.320 -0.000 0.000 0.327 358 A C -1.129 176.499 177.584 0.073 0.000 1.155 358 A CA -0.543 51.440 52.037 -0.090 0.000 0.803 358 A CB 1.043 19.582 19.000 -0.767 0.000 1.208 358 A HN 0.776 nan 8.150 nan 0.000 0.477 359 L N 2.506 123.846 121.223 0.196 0.000 2.333 359 L HA 0.523 4.863 4.340 -0.000 0.000 0.280 359 L C -0.914 176.168 176.870 0.353 0.000 1.004 359 L CA -0.565 54.423 54.840 0.245 0.000 0.820 359 L CB 1.828 44.040 42.059 0.256 0.000 1.247 359 L HN 0.693 nan 8.230 nan 0.000 0.416 360 D N 1.533 122.108 120.400 0.292 0.000 2.552 360 D HA 0.544 5.184 4.640 -0.000 0.000 0.239 360 D C -1.042 175.378 176.300 0.201 0.000 1.139 360 D CA -0.238 53.942 54.000 0.300 0.000 0.914 360 D CB 3.524 44.514 40.800 0.316 0.000 1.461 360 D HN 0.246 nan 8.370 nan 0.000 0.462 361 V N -1.540 118.487 119.914 0.189 0.000 2.581 361 V HA 0.899 5.019 4.120 -0.000 0.000 0.303 361 V C 0.391 176.556 176.094 0.118 0.000 1.041 361 V CA -0.390 61.983 62.300 0.121 0.000 0.907 361 V CB 1.300 33.184 31.823 0.103 0.000 0.994 361 V HN 0.584 nan 8.190 nan 0.000 0.442 362 G N 2.939 111.789 108.800 0.083 0.000 2.606 362 G HA2 0.412 4.372 3.960 -0.000 0.000 0.262 362 G HA3 0.412 4.372 3.960 -0.000 0.000 0.262 362 G C -0.346 174.583 174.900 0.048 0.000 1.394 362 G CA -1.262 43.886 45.100 0.080 0.000 1.044 362 G HN 0.872 nan 8.290 nan 0.000 0.553 363 K N 0.101 120.516 120.400 0.026 0.000 2.484 363 K HA 0.445 4.765 4.320 -0.000 0.000 0.280 363 K C 0.498 177.095 176.600 -0.005 0.000 1.013 363 K CA 1.180 57.462 56.287 -0.009 0.000 1.029 363 K CB 0.362 32.854 32.500 -0.012 0.000 0.902 363 K HN 0.917 nan 8.250 nan 0.000 0.481 364 G N 3.029 111.821 108.800 -0.014 0.000 2.350 364 G HA2 0.010 3.970 3.960 -0.000 0.000 0.276 364 G HA3 0.010 3.970 3.960 -0.000 0.000 0.276 364 G C -2.992 171.903 174.900 -0.008 0.000 1.313 364 G CA -1.167 43.928 45.100 -0.009 0.000 0.903 364 G HN 0.377 nan 8.290 nan 0.000 0.490 365 P HA 0.314 nan 4.420 nan 0.000 0.268 365 P C 1.161 178.462 177.300 0.001 0.000 1.485 365 P CA 0.292 63.389 63.100 -0.004 0.000 1.102 365 P CB 0.563 32.259 31.700 -0.006 0.000 1.501 366 T N 1.560 116.118 114.554 0.006 0.000 2.481 366 T HA -0.222 4.128 4.350 -0.000 0.000 0.252 366 T C 1.721 176.432 174.700 0.018 0.000 1.242 366 T CA 2.107 64.218 62.100 0.018 0.000 1.170 366 T CB -0.735 68.144 68.868 0.018 0.000 0.860 366 T HN 0.082 nan 8.240 nan 0.000 0.422 367 V N 1.691 121.612 119.914 0.012 0.000 2.343 367 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 367 V C 2.482 178.574 176.094 -0.003 0.000 1.051 367 V CA 1.986 64.292 62.300 0.010 0.000 1.036 367 V CB -0.740 31.087 31.823 0.007 0.000 0.654 367 V HN 0.614 nan 8.190 nan 0.000 0.451 368 E N 0.195 120.391 120.200 -0.008 0.000 2.072 368 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 368 E C 2.236 178.816 176.600 -0.033 0.000 0.982 368 E CA 0.989 57.378 56.400 -0.019 0.000 0.803 368 E CB -0.220 29.470 29.700 -0.016 0.000 0.755 368 E HN 0.473 nan 8.360 nan 0.000 0.453 369 L N 0.678 121.886 121.223 -0.025 0.000 2.201 369 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 369 L C 2.507 179.328 176.870 -0.081 0.000 1.105 369 L CA 0.966 55.783 54.840 -0.039 0.000 0.775 369 L CB -0.201 41.851 42.059 -0.011 0.000 0.913 369 L HN 0.074 nan 8.230 nan 0.000 0.440 370 R N -0.800 119.665 120.500 -0.059 0.000 2.161 370 R HA -0.074 4.266 4.340 -0.000 0.000 0.213 370 R C 2.159 178.366 176.300 -0.156 0.000 1.055 370 R CA 0.517 56.555 56.100 -0.104 0.000 0.996 370 R CB -0.029 30.303 30.300 0.054 0.000 0.901 370 R HN 0.434 nan 8.270 nan 0.000 0.456 371 Q N 0.126 119.873 119.800 -0.088 0.000 2.167 371 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 371 Q C 2.037 177.970 176.000 -0.112 0.000 0.970 371 Q CA 1.158 56.916 55.803 -0.076 0.000 0.855 371 Q CB 0.234 28.946 28.738 -0.043 0.000 0.911 371 Q HN 0.147 nan 8.270 nan 0.000 0.438 372 V N -0.422 119.413 119.914 -0.132 0.000 2.323 372 V HA -0.287 3.833 4.120 -0.000 0.000 0.244 372 V C 2.260 178.231 176.094 -0.204 0.000 1.041 372 V CA 1.384 63.603 62.300 -0.135 0.000 1.025 372 V CB -0.433 31.320 31.823 -0.116 0.000 0.656 372 V HN 0.494 nan 8.190 nan 0.000 0.451 373 C N -0.633 118.461 119.300 -0.343 0.000 2.413 373 C HA -0.168 4.292 4.460 -0.000 0.000 0.276 373 C C 2.877 177.571 174.990 -0.494 0.000 1.248 373 C CA 0.688 59.371 59.018 -0.559 0.000 1.742 373 C CB -1.030 25.997 27.740 -1.188 0.000 2.017 373 C HN 0.550 nan 8.230 nan 0.000 0.481 374 Q N 0.429 119.985 119.800 -0.407 0.000 2.096 374 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 374 Q C 2.489 178.447 176.000 -0.071 0.000 0.982 374 Q CA 2.166 57.891 55.803 -0.131 0.000 0.850 374 Q CB -0.939 27.774 28.738 -0.042 0.000 0.901 374 Q HN 0.763 nan 8.270 nan 0.000 0.422 375 G N 0.838 109.585 108.800 -0.088 0.000 2.418 375 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 375 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 375 G C 1.457 176.330 174.900 -0.045 0.000 1.158 375 G CA 0.769 45.837 45.100 -0.053 0.000 0.771 375 G HN 0.325 nan 8.290 nan 0.000 0.545 376 L N 0.333 121.515 121.223 -0.068 0.000 2.056 376 L HA 0.126 4.466 4.340 -0.000 0.000 0.207 376 L C 2.591 179.455 176.870 -0.010 0.000 1.078 376 L CA 1.568 56.383 54.840 -0.043 0.000 0.749 376 L CB -0.725 41.298 42.059 -0.060 0.000 0.901 376 L HN 0.237 nan 8.230 nan 0.000 0.433 377 L N -0.107 121.115 121.223 -0.003 0.000 1.989 377 L HA -0.264 4.076 4.340 -0.000 0.000 0.211 377 L C 2.246 179.137 176.870 0.035 0.000 1.071 377 L CA 1.974 56.845 54.840 0.051 0.000 0.749 377 L CB -0.820 41.310 42.059 0.117 0.000 0.890 377 L HN 0.349 nan 8.230 nan 0.000 0.431 378 N N -0.070 118.644 118.700 0.022 0.000 2.069 378 N HA -0.261 4.479 4.740 -0.000 0.000 0.191 378 N C 1.811 177.329 175.510 0.014 0.000 1.031 378 N CA 1.762 54.822 53.050 0.017 0.000 0.852 378 N CB -0.357 38.135 38.487 0.010 0.000 1.018 378 N HN 0.538 nan 8.380 nan 0.000 0.423 379 E N 0.502 120.707 120.200 0.009 0.000 2.058 379 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 379 E C 1.971 178.582 176.600 0.018 0.000 0.997 379 E CA 0.847 57.254 56.400 0.011 0.000 0.801 379 E CB -0.048 29.656 29.700 0.007 0.000 0.746 379 E HN 0.263 nan 8.360 nan 0.000 0.450 380 L N 0.362 121.599 121.223 0.022 0.000 2.056 380 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 380 L C 2.494 179.382 176.870 0.031 0.000 1.078 380 L CA 0.731 55.588 54.840 0.029 0.000 0.749 380 L CB -0.317 41.765 42.059 0.038 0.000 0.901 380 L HN 0.233 nan 8.230 nan 0.000 0.433 381 L N -0.602 120.640 121.223 0.030 0.000 2.141 381 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 381 L C 2.476 179.360 176.870 0.023 0.000 1.094 381 L CA 1.074 55.931 54.840 0.028 0.000 0.763 381 L CB -0.493 41.580 42.059 0.024 0.000 0.908 381 L HN 0.314 nan 8.230 nan 0.000 0.437 382 E N 0.130 120.342 120.200 0.020 0.000 2.204 382 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 382 E C 1.083 177.695 176.600 0.020 0.000 0.989 382 E CA 0.590 57.001 56.400 0.018 0.000 0.824 382 E CB -0.045 29.664 29.700 0.015 0.000 0.756 382 E HN 0.550 nan 8.360 nan 0.000 0.477 383 N N 0.150 118.863 118.700 0.023 0.000 2.313 383 N HA 0.006 4.746 4.740 -0.000 0.000 0.207 383 N C 0.636 176.163 175.510 0.029 0.000 1.141 383 N CA 0.497 53.562 53.050 0.025 0.000 0.830 383 N CB 1.016 39.517 38.487 0.024 0.000 1.008 383 N HN 0.164 nan 8.380 nan 0.000 0.481 384 G N 1.478 110.295 108.800 0.028 0.000 2.203 384 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 384 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 384 G C 0.088 175.010 174.900 0.037 0.000 1.012 384 G CA 0.024 45.142 45.100 0.030 0.000 0.749 384 G HN 0.366 nan 8.290 nan 0.000 0.512 385 I N 1.906 122.500 120.570 0.041 0.000 2.331 385 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 385 I C 1.069 177.219 176.117 0.055 0.000 0.998 385 I CA -0.373 60.958 61.300 0.052 0.000 1.267 385 I CB 1.497 39.529 38.000 0.052 0.000 1.386 385 I HN 0.307 nan 8.210 nan 0.000 0.476 386 S N 6.125 121.862 115.700 0.062 0.000 2.565 386 S HA 0.614 5.084 4.470 -0.000 0.000 0.276 386 S C -0.409 174.242 174.600 0.086 0.000 1.326 386 S CA -0.683 57.557 58.200 0.066 0.000 1.045 386 S CB 1.510 64.748 63.200 0.064 0.000 0.918 386 S HN 0.348 nan 8.310 nan 0.000 0.505 387 V N 3.038 123.008 119.914 0.093 0.000 2.760 387 V HA 0.414 4.534 4.120 -0.000 0.000 0.309 387 V C -0.877 175.305 176.094 0.146 0.000 1.077 387 V CA -0.864 61.505 62.300 0.115 0.000 0.910 387 V CB 1.946 33.824 31.823 0.092 0.000 1.008 387 V HN 1.046 nan 8.190 nan 0.000 0.424 388 W N 7.410 128.690 121.300 -0.034 0.000 2.316 388 W HA 0.411 5.071 4.660 -0.000 0.000 0.308 388 W C -2.481 174.026 176.519 -0.020 0.000 1.106 388 W CA -2.300 55.017 57.345 -0.047 0.000 1.262 388 W CB 2.203 31.605 29.460 -0.097 0.000 1.233 388 W HN 0.396 nan 8.180 nan 0.000 0.447 389 P HA 0.124 nan 4.420 nan 0.000 0.219 389 P C 0.967 177.819 177.300 -0.746 0.000 1.832 389 P CA 0.128 62.870 63.100 -0.598 0.000 1.014 389 P CB 0.184 31.453 31.700 -0.718 0.000 1.939 390 G N 1.896 110.561 108.800 -0.225 0.000 2.448 390 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 390 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 390 G C 1.136 176.045 174.900 0.014 0.000 1.127 390 G CA 0.387 45.538 45.100 0.086 0.000 0.766 390 G HN 0.432 nan 8.290 nan 0.000 0.552 391 Y N 0.281 120.614 120.300 0.055 0.000 2.465 391 Y HA 0.078 4.628 4.550 -0.000 0.000 0.289 391 Y C 2.495 178.400 175.900 0.008 0.000 1.150 391 Y CA 0.819 58.945 58.100 0.043 0.000 1.293 391 Y CB -0.546 37.931 38.460 0.028 0.000 0.977 391 Y HN 0.092 nan 8.280 nan 0.000 0.556 392 S N -0.425 114.949 115.700 -0.544 0.000 2.481 392 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 392 S C 0.736 175.247 174.600 -0.147 0.000 0.996 392 S CA 0.516 58.498 58.200 -0.363 0.000 0.942 392 S CB -0.333 62.562 63.200 -0.508 0.000 0.768 392 S HN 0.504 nan 8.310 nan 0.000 0.520 393 E N 0.808 120.953 120.200 -0.092 0.000 2.390 393 E HA 0.167 4.517 4.350 -0.000 0.000 0.261 393 E C 1.031 177.646 176.600 0.025 0.000 1.076 393 E CA 0.396 56.785 56.400 -0.018 0.000 0.905 393 E CB 0.659 30.380 29.700 0.035 0.000 0.984 393 E HN -0.090 nan 8.360 nan 0.000 0.427 394 T N 1.636 116.206 114.554 0.027 0.000 2.837 394 T HA 0.079 4.429 4.350 -0.000 0.000 0.248 394 T C 0.069 174.807 174.700 0.062 0.000 1.033 394 T CA 0.498 62.621 62.100 0.039 0.000 1.150 394 T CB 0.192 69.074 68.868 0.024 0.000 0.865 394 T HN 0.301 nan 8.240 nan 0.000 0.425 395 V N 2.583 122.530 119.914 0.056 0.000 2.763 395 V HA 0.113 4.233 4.120 -0.000 0.000 0.306 395 V C 0.209 176.360 176.094 0.095 0.000 1.059 395 V CA -0.361 61.979 62.300 0.066 0.000 1.138 395 V CB 0.273 32.120 31.823 0.039 0.000 0.940 395 V HN 0.471 nan 8.190 nan 0.000 0.489 396 H N 2.894 121.973 119.070 0.015 0.000 2.582 396 H HA 0.531 5.087 4.556 -0.000 0.000 0.345 396 H C 0.039 175.369 175.328 0.003 0.000 1.104 396 H CA 0.590 56.646 56.048 0.012 0.000 1.390 396 H CB 1.157 30.925 29.762 0.009 0.000 1.461 396 H HN 0.770 nan 8.280 nan 0.000 0.551 397 S N 3.217 118.431 115.700 -0.810 0.000 2.541 397 S HA 0.452 4.922 4.470 -0.000 0.000 0.280 397 S C -0.689 173.505 174.600 -0.676 0.000 1.112 397 S CA -0.418 57.459 58.200 -0.540 0.000 0.925 397 S CB 0.612 63.656 63.200 -0.260 0.000 1.067 397 S HN 0.907 nan 8.310 nan 0.000 0.479 398 S N 3.837 119.306 115.700 -0.384 0.000 2.593 398 S HA 0.239 4.709 4.470 -0.000 0.000 0.269 398 S C 1.274 175.736 174.600 -0.230 0.000 1.334 398 S CA -0.526 57.537 58.200 -0.229 0.000 1.015 398 S CB 0.602 63.729 63.200 -0.122 0.000 0.912 398 S HN 0.836 nan 8.310 nan 0.000 0.541 399 L N 1.489 122.596 121.223 -0.192 0.000 2.079 399 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 399 L C 2.307 178.905 176.870 -0.453 0.000 1.081 399 L CA 2.025 56.660 54.840 -0.342 0.000 0.752 399 L CB -1.034 40.886 42.059 -0.231 0.000 0.896 399 L HN 0.869 nan 8.230 nan 0.000 0.433 400 E N -0.704 119.365 120.200 -0.219 0.000 2.051 400 E HA -0.243 4.106 4.350 -0.000 0.000 0.192 400 E C 2.192 178.714 176.600 -0.131 0.000 0.991 400 E CA 1.559 57.887 56.400 -0.121 0.000 0.799 400 E CB -0.352 29.316 29.700 -0.054 0.000 0.748 400 E HN 0.580 nan 8.360 nan 0.000 0.449 401 Q N -0.176 119.530 119.800 -0.157 0.000 2.096 401 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 401 Q C 1.990 177.853 176.000 -0.229 0.000 0.982 401 Q CA 0.842 56.551 55.803 -0.156 0.000 0.850 401 Q CB -0.125 28.519 28.738 -0.155 0.000 0.901 401 Q HN 0.165 nan 8.270 nan 0.000 0.422 402 L N 0.110 121.138 121.223 -0.326 0.000 1.994 402 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 402 L C 2.019 178.611 176.870 -0.462 0.000 1.071 402 L CA 1.973 56.507 54.840 -0.510 0.000 0.745 402 L CB -1.052 40.743 42.059 -0.440 0.000 0.892 402 L HN 0.325 nan 8.230 nan 0.000 0.431 403 H N -2.004 116.948 119.070 -0.197 0.000 2.387 403 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 403 H C 2.276 177.571 175.328 -0.056 0.000 1.099 403 H CA 1.039 57.055 56.048 -0.053 0.000 1.315 403 H CB 0.161 29.927 29.762 0.007 0.000 1.380 403 H HN 0.296 nan 8.280 nan 0.000 0.513 404 S N 0.280 115.999 115.700 0.032 0.000 2.368 404 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 404 S C 1.990 176.580 174.600 -0.017 0.000 1.029 404 S CA 0.983 59.188 58.200 0.009 0.000 0.988 404 S CB -0.014 63.178 63.200 -0.015 0.000 0.838 404 S HN 0.372 nan 8.310 nan 0.000 0.462 405 K N 0.083 120.417 120.400 -0.109 0.000 2.026 405 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 405 K C 1.765 178.360 176.600 -0.009 0.000 1.048 405 K CA 1.375 57.590 56.287 -0.120 0.000 0.929 405 K CB -0.284 32.063 32.500 -0.254 0.000 0.713 405 K HN 0.270 nan 8.250 nan 0.000 0.439 406 Y N 1.914 122.199 120.300 -0.025 0.000 2.224 406 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 406 Y C 2.015 177.903 175.900 -0.020 0.000 1.146 406 Y CA 1.033 59.106 58.100 -0.044 0.000 1.182 406 Y CB -0.675 37.796 38.460 0.019 0.000 0.983 406 Y HN 0.231 nan 8.280 nan 0.000 0.524 407 D N -0.004 120.490 120.400 0.156 0.000 2.117 407 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 407 D C 0.898 177.253 176.300 0.090 0.000 0.982 407 D CA 0.832 54.885 54.000 0.089 0.000 0.828 407 D CB -0.211 40.622 40.800 0.056 0.000 0.967 407 D HN 0.413 nan 8.370 nan 0.000 0.464 411 V N 3.638 123.564 119.914 0.020 0.000 2.617 411 V HA 0.084 4.203 4.120 -0.000 0.000 0.304 411 V C 1.628 177.663 176.094 -0.098 0.000 1.040 411 V CA 0.683 62.955 62.300 -0.047 0.000 1.149 411 V CB 0.698 32.443 31.823 -0.131 0.000 0.914 411 V HN 0.543 nan 8.190 nan 0.000 0.487 412 L N 4.327 125.470 121.223 -0.134 0.000 2.095 412 L HA 0.157 4.496 4.340 -0.000 0.000 0.204 412 L C 0.120 176.536 176.870 -0.758 0.000 1.080 412 L CA 1.437 56.049 54.840 -0.380 0.000 0.759 412 L CB -0.077 41.819 42.059 -0.273 0.000 0.914 412 L HN 0.460 nan 8.230 nan 0.000 0.439 413 F N -1.154 118.761 119.950 -0.058 0.000 2.591 413 F HA 0.347 4.874 4.527 -0.000 0.000 0.309 413 F C -0.024 175.748 175.800 -0.047 0.000 1.098 413 F CA -0.950 57.022 58.000 -0.047 0.000 0.937 413 F CB 1.882 40.873 39.000 -0.015 0.000 1.250 413 F HN -0.274 nan 8.300 nan 0.000 0.447 414 S N 1.036 116.832 115.700 0.161 0.000 2.503 414 S HA 0.919 5.389 4.470 -0.000 0.000 0.301 414 S C -1.312 173.387 174.600 0.165 0.000 1.087 414 S CA -0.744 57.536 58.200 0.134 0.000 1.042 414 S CB 1.824 65.169 63.200 0.242 0.000 1.043 414 S HN 0.397 nan 8.310 nan 0.000 0.489 415 V N 2.889 122.898 119.914 0.158 0.000 2.540 415 V HA 0.591 4.711 4.120 -0.000 0.000 0.302 415 V C -0.916 175.267 176.094 0.149 0.000 1.035 415 V CA -0.708 61.665 62.300 0.121 0.000 0.873 415 V CB 1.505 33.374 31.823 0.077 0.000 0.992 415 V HN 0.896 nan 8.190 nan 0.000 0.428 416 L N 5.653 126.950 121.223 0.123 0.000 2.325 416 L HA 0.675 5.015 4.340 -0.000 0.000 0.281 416 L C -0.577 176.330 176.870 0.061 0.000 1.004 416 L CA -0.076 54.836 54.840 0.120 0.000 0.823 416 L CB 1.839 43.984 42.059 0.143 0.000 1.236 416 L HN 0.456 nan 8.230 nan 0.000 0.415 417 V N 4.409 124.351 119.914 0.047 0.000 2.383 417 V HA 0.640 4.760 4.120 -0.000 0.000 0.275 417 V C 0.414 176.517 176.094 0.014 0.000 1.036 417 V CA -0.000 62.302 62.300 0.004 0.000 0.889 417 V CB 1.310 33.112 31.823 -0.034 0.000 0.985 417 V HN 0.942 nan 8.190 nan 0.000 0.459 418 T N 0.509 115.065 114.554 0.005 0.000 2.858 418 T HA 0.410 4.760 4.350 -0.000 0.000 0.285 418 T C 1.001 175.700 174.700 -0.002 0.000 1.052 418 T CA -0.286 61.820 62.100 0.010 0.000 1.009 418 T CB 1.698 70.577 68.868 0.018 0.000 1.241 418 T HN 0.655 nan 8.240 nan 0.000 0.542 419 E N 0.253 120.454 120.200 0.001 0.000 2.171 419 E HA -0.193 4.156 4.350 -0.000 0.000 0.197 419 E C 1.678 178.275 176.600 -0.004 0.000 0.997 419 E CA 1.757 58.155 56.400 -0.003 0.000 0.810 419 E CB -1.142 28.557 29.700 -0.002 0.000 0.738 419 E HN 0.654 nan 8.360 nan 0.000 0.467 420 T N 1.224 115.778 114.554 -0.001 0.000 2.635 420 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 420 T C 2.015 176.711 174.700 -0.007 0.000 1.040 420 T CA 2.132 64.232 62.100 0.000 0.000 1.156 420 T CB -0.667 68.203 68.868 0.004 0.000 0.863 420 T HN 0.300 nan 8.240 nan 0.000 0.430 421 T N 2.405 116.948 114.554 -0.019 0.000 2.737 421 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 421 T C 1.889 176.566 174.700 -0.038 0.000 1.040 421 T CA 0.912 62.986 62.100 -0.042 0.000 1.142 421 T CB -0.454 68.381 68.868 -0.054 0.000 0.861 421 T HN 0.287 nan 8.240 nan 0.000 0.456 422 L N 0.175 121.384 121.223 -0.024 0.000 2.217 422 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 422 L C 2.701 179.567 176.870 -0.007 0.000 1.107 422 L CA 1.165 55.993 54.840 -0.019 0.000 0.783 422 L CB -0.374 41.676 42.059 -0.015 0.000 0.919 422 L HN 0.337 nan 8.230 nan 0.000 0.442 423 E N 0.446 120.645 120.200 -0.001 0.000 2.045 423 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 423 E C 1.230 177.842 176.600 0.020 0.000 0.968 423 E CA 1.140 57.545 56.400 0.008 0.000 0.813 423 E CB 0.132 29.837 29.700 0.008 0.000 0.780 423 E HN 0.487 nan 8.360 nan 0.000 0.455 424 N N -1.102 117.613 118.700 0.026 0.000 2.171 424 N HA 0.051 4.791 4.740 -0.000 0.000 0.212 424 N C 0.910 176.479 175.510 0.098 0.000 1.184 424 N CA 0.843 53.927 53.050 0.058 0.000 0.888 424 N CB 1.082 39.598 38.487 0.048 0.000 1.038 424 N HN 0.191 nan 8.380 nan 0.000 0.517 425 G N 0.684 109.489 108.800 0.009 0.000 2.155 425 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 425 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 425 G C -0.449 174.280 174.900 -0.285 0.000 0.983 425 G CA 0.441 45.440 45.100 -0.167 0.000 0.676 425 G HN 0.344 nan 8.290 nan 0.000 0.528 426 L N 1.177 122.352 121.223 -0.079 0.000 2.292 426 L HA 0.655 4.995 4.340 -0.000 0.000 0.284 426 L C 1.183 178.012 176.870 -0.068 0.000 1.065 426 L CA -0.974 53.834 54.840 -0.054 0.000 0.806 426 L CB 1.109 43.174 42.059 0.010 0.000 1.175 426 L HN 0.353 nan 8.230 nan 0.000 0.431 427 I N 0.357 120.882 120.570 -0.076 0.000 2.707 427 I HA 0.482 4.652 4.170 -0.000 0.000 0.309 427 I C -0.521 175.580 176.117 -0.027 0.000 1.001 427 I CA -0.870 60.400 61.300 -0.049 0.000 1.129 427 I CB 1.848 39.812 38.000 -0.060 0.000 1.308 427 I HN 0.645 nan 8.210 nan 0.000 0.466 428 Q N 3.658 123.460 119.800 0.004 0.000 2.303 428 Q HA 0.481 4.821 4.340 -0.000 0.000 0.257 428 Q C -1.750 174.267 176.000 0.029 0.000 0.941 428 Q CA -0.788 55.027 55.803 0.020 0.000 0.931 428 Q CB 1.834 30.603 28.738 0.051 0.000 1.215 428 Q HN 0.716 nan 8.270 nan 0.000 0.437 429 L N 4.689 125.911 121.223 -0.002 0.000 2.305 429 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 429 L C -1.293 175.597 176.870 0.033 0.000 1.013 429 L CA -0.218 54.624 54.840 0.004 0.000 0.819 429 L CB 1.500 43.498 42.059 -0.102 0.000 1.227 429 L HN 0.686 nan 8.230 nan 0.000 0.417 430 R N 3.332 123.871 120.500 0.064 0.000 2.494 430 R HA 0.645 4.985 4.340 -0.000 0.000 0.305 430 R C -0.862 175.465 176.300 0.044 0.000 0.959 430 R CA -0.326 55.772 56.100 -0.003 0.000 0.864 430 R CB 1.595 31.788 30.300 -0.179 0.000 1.159 430 R HN 0.805 nan 8.270 nan 0.000 0.446 431 S N 3.139 118.844 115.700 0.009 0.000 2.585 431 S HA 0.195 4.665 4.470 -0.000 0.000 0.277 431 S C 1.023 175.515 174.600 -0.181 0.000 1.241 431 S CA -0.726 57.410 58.200 -0.106 0.000 1.041 431 S CB 1.871 65.050 63.200 -0.034 0.000 0.987 431 S HN 0.874 nan 8.310 nan 0.000 0.512 432 R N 1.488 121.814 120.500 -0.289 0.000 2.062 432 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 432 R C 0.856 177.077 176.300 -0.131 0.000 1.136 432 R CA 2.028 58.018 56.100 -0.184 0.000 0.948 432 R CB -0.524 29.657 30.300 -0.199 0.000 0.845 432 R HN 0.767 nan 8.270 nan 0.000 0.430 433 D N -0.700 119.612 120.400 -0.148 0.000 2.144 433 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 433 D C 1.858 178.133 176.300 -0.042 0.000 0.978 433 D CA 2.043 55.997 54.000 -0.077 0.000 0.833 433 D CB -0.086 40.678 40.800 -0.060 0.000 0.961 433 D HN 0.475 nan 8.370 nan 0.000 0.470 434 T N -3.718 110.814 114.554 -0.036 0.000 3.039 434 T HA 0.141 4.491 4.350 -0.000 0.000 0.250 434 T C 0.702 175.388 174.700 -0.024 0.000 1.052 434 T CA 0.723 62.814 62.100 -0.014 0.000 1.125 434 T CB 0.418 69.291 68.868 0.008 0.000 0.908 434 T HN 0.033 nan 8.240 nan 0.000 0.473 442 I N 2.970 123.230 120.570 -0.516 0.000 2.399 442 I HA -0.272 3.897 4.170 -0.000 0.000 0.254 442 I C 1.928 177.984 176.117 -0.100 0.000 1.146 442 I CA 2.075 63.208 61.300 -0.278 0.000 1.412 442 I CB 0.043 37.863 38.000 -0.300 0.000 1.076 442 I HN 0.588 nan 8.210 nan 0.000 0.432 443 S N -0.201 115.532 115.700 0.056 0.000 2.442 443 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 443 S C 1.875 176.538 174.600 0.105 0.000 1.007 443 S CA 0.820 59.119 58.200 0.165 0.000 0.965 443 S CB -0.304 63.085 63.200 0.316 0.000 0.773 443 S HN 0.496 nan 8.310 nan 0.000 0.504 444 K N -0.040 120.417 120.400 0.096 0.000 2.334 444 K HA 0.300 4.620 4.320 -0.000 0.000 0.195 444 K C 1.756 178.395 176.600 0.064 0.000 1.045 444 K CA 0.110 56.438 56.287 0.069 0.000 1.004 444 K CB -0.205 32.327 32.500 0.053 0.000 0.837 444 K HN 0.192 nan 8.250 nan 0.000 0.510 445 L N 2.304 123.545 121.223 0.030 0.000 1.997 445 L HA -0.279 4.060 4.340 -0.000 0.000 0.216 445 L C 2.397 179.313 176.870 0.076 0.000 1.074 445 L CA 1.854 56.718 54.840 0.039 0.000 0.763 445 L CB -0.456 41.599 42.059 -0.006 0.000 0.890 445 L HN 0.110 nan 8.230 nan 0.000 0.434 446 R N -0.636 119.891 120.500 0.046 0.000 2.094 446 R HA -0.207 4.132 4.340 -0.000 0.000 0.239 446 R C 1.913 178.238 176.300 0.040 0.000 1.137 446 R CA 2.193 58.314 56.100 0.036 0.000 0.943 446 R CB -0.580 29.737 30.300 0.028 0.000 0.850 446 R HN 0.482 nan 8.270 nan 0.000 0.433 447 D N -0.029 120.405 120.400 0.057 0.000 2.144 447 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 447 D C 1.628 177.966 176.300 0.064 0.000 0.984 447 D CA 1.074 55.107 54.000 0.054 0.000 0.834 447 D CB -0.471 40.366 40.800 0.062 0.000 0.955 447 D HN 0.269 nan 8.370 nan 0.000 0.465 448 F N 1.390 121.314 119.950 -0.043 0.000 2.102 448 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 448 F C 2.033 177.790 175.800 -0.071 0.000 1.105 448 F CA 1.171 59.129 58.000 -0.070 0.000 1.239 448 F CB -0.339 38.576 39.000 -0.142 0.000 0.991 448 F HN -0.134 nan 8.300 nan 0.000 0.474 449 L N -0.791 120.294 121.223 -0.231 0.000 2.044 449 L HA -0.153 4.186 4.340 -0.000 0.000 0.205 449 L C 2.474 179.263 176.870 -0.135 0.000 1.075 449 L CA 0.838 55.495 54.840 -0.304 0.000 0.747 449 L CB -0.984 41.005 42.059 -0.117 0.000 0.903 449 L HN -0.023 nan 8.230 nan 0.000 0.435 450 V N 0.295 120.173 119.914 -0.059 0.000 2.282 450 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 450 V C 2.567 178.640 176.094 -0.035 0.000 1.057 450 V CA 1.970 64.258 62.300 -0.021 0.000 1.032 450 V CB -0.471 31.352 31.823 0.000 0.000 0.645 450 V HN 0.423 nan 8.190 nan 0.000 0.447 451 K N -1.424 118.938 120.400 -0.062 0.000 2.057 451 K HA -0.201 4.118 4.320 -0.000 0.000 0.206 451 K C 2.162 178.711 176.600 -0.085 0.000 1.050 451 K CA 1.861 58.112 56.287 -0.059 0.000 0.935 451 K CB -0.383 32.094 32.500 -0.038 0.000 0.715 451 K HN 0.559 nan 8.250 nan 0.000 0.439 452 Y N 1.955 122.069 120.300 -0.310 0.000 2.128 452 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 452 Y C 1.816 177.644 175.900 -0.120 0.000 1.154 452 Y CA 1.498 59.431 58.100 -0.280 0.000 1.149 452 Y CB -0.211 37.944 38.460 -0.508 0.000 0.976 452 Y HN -0.066 nan 8.280 nan 0.000 0.505 453 L N -0.464 120.771 121.223 0.020 0.000 2.017 453 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 453 L C 2.818 179.654 176.870 -0.057 0.000 1.073 453 L CA 1.167 56.006 54.840 -0.000 0.000 0.745 453 L CB -1.116 40.988 42.059 0.075 0.000 0.894 453 L HN 0.311 nan 8.230 nan 0.000 0.432 454 A N -0.812 121.983 122.820 -0.041 0.000 1.940 454 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 454 A C 2.543 180.091 177.584 -0.061 0.000 1.176 454 A CA 2.210 54.230 52.037 -0.028 0.000 0.631 454 A CB -0.694 18.297 19.000 -0.016 0.000 0.814 454 A HN 0.346 nan 8.150 nan 0.000 0.446 455 S N -0.754 114.874 115.700 -0.121 0.000 2.356 455 S HA -0.048 4.422 4.470 -0.000 0.000 0.223 455 S C 2.274 176.783 174.600 -0.153 0.000 1.032 455 S CA 1.298 59.412 58.200 -0.144 0.000 1.005 455 S CB -0.391 62.689 63.200 -0.201 0.000 0.867 455 S HN 0.804 nan 8.310 nan 0.000 0.449 456 A N 1.157 123.843 122.820 -0.223 0.000 1.930 456 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 456 A C 2.267 179.872 177.584 0.035 0.000 1.175 456 A CA 1.912 53.862 52.037 -0.144 0.000 0.627 456 A CB -0.737 18.116 19.000 -0.244 0.000 0.815 456 A HN 0.640 nan 8.150 nan 0.000 0.443 457 S N -0.083 115.640 115.700 0.039 0.000 2.461 457 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 457 S C 1.535 176.167 174.600 0.053 0.000 1.005 457 S CA 0.910 59.167 58.200 0.096 0.000 0.942 457 S CB -0.412 62.846 63.200 0.098 0.000 0.776 457 S HN 0.546 nan 8.310 nan 0.000 0.514 458 N N 1.656 120.358 118.700 0.003 0.000 2.354 458 N HA 0.070 4.810 4.740 -0.000 0.000 0.179 458 N C 1.707 177.192 175.510 -0.043 0.000 1.021 458 N CA 0.897 53.933 53.050 -0.024 0.000 0.887 458 N CB -0.510 37.955 38.487 -0.038 0.000 0.974 458 N HN 0.289 nan 8.380 nan 0.000 0.437 459 V N 1.832 121.722 119.914 -0.040 0.000 2.317 459 V HA -0.219 3.900 4.120 -0.000 0.000 0.251 459 V C 1.540 177.583 176.094 -0.084 0.000 1.065 459 V CA 1.587 63.853 62.300 -0.057 0.000 1.049 459 V CB -0.905 30.893 31.823 -0.041 0.000 0.651 459 V HN 0.299 nan 8.190 nan 0.000 0.450 460 A N 0.000 122.764 122.820 -0.094 0.000 2.254 460 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 460 A CA 0.000 51.963 52.037 -0.123 0.000 0.836 460 A CB 0.000 18.916 19.000 -0.140 0.000 0.831 460 A HN 0.000 nan 8.150 nan 0.000 0.486