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 3eb7_1_C DATA FIRST_RESID 64 DATA SEQUENCE ISERDAVKTA ISLVGTILGK LGVPLVGPIV SLYSTLIDVL WPGGKSQWEI DATA SEQUENCE FMEQVEALIN QKIAEYARAK ALAELEGLGN NYQLYLTALE EWQENPXSTR DATA SEQUENCE VLRDVRNRFE ILDSLFTQYM PSFRVTGYEV PLLSVYAQAA NLHLLLLKDA DATA SEQUENCE SIFGEEWGFS TTAINNYYNR QMSLIAQYSD HCVQWYRTGL DRLKGSNAKQ DATA SEQUENCE WVEYNRFRRE MTLSVLDIMT LFPMYDMRTY PMETKAQLTR EVYTDPIGAI DATA SEQUENCE GAQGSWYDSA PSFNTLESTF IRGKHLFDFI TRLSIYTGRS SFSASNYLKK DATA SEQUENCE WIGHQISSQP IGGSIQTQTY GTTSGSSVIA TQQIGFTGFD VYKTLSTAGV DATA SEQUENCE LFAYTSKYYG VSKVVFDAIY PDNKYKTTFT YNPGSEGIGA QEKDSEVELP DATA SEQUENCE PETLDQPNYE AYSHRLNYVT FIRNPDVPVF SWTHRSADRT NTVYSDKITQ DATA SEQUENCE IPVVKASDGP KPSANEVGHY LGGDPISFNS SGSTGVIRLN INSPLSQKYR DATA SEQUENCE VRIRYCSSVD FDLDVVRGGT TVNNGRFNKS APNVGWQSLK YENFKFASFS DATA SEQUENCE TPFTFNQAQD TLKISVRNFS SIVGGSVVYI DRIELIPVN 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 64 I HA 0.000 nan 4.170 nan 0.000 0.288 64 I C 0.000 176.083 176.117 -0.056 0.000 1.063 64 I CA 0.000 61.275 61.300 -0.041 0.000 1.566 64 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 65 S N 3.134 118.800 115.700 -0.055 0.000 2.395 65 S HA -0.038 4.432 4.470 -0.000 0.000 0.225 65 S C 1.433 175.983 174.600 -0.082 0.000 1.027 65 S CA 1.460 59.612 58.200 -0.080 0.000 0.965 65 S CB -0.033 63.127 63.200 -0.066 0.000 0.812 65 S HN 0.800 nan 8.310 nan 0.000 0.482 66 E N 1.232 121.402 120.200 -0.051 0.000 2.051 66 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 66 E C 2.324 178.890 176.600 -0.057 0.000 0.991 66 E CA 0.971 57.346 56.400 -0.043 0.000 0.799 66 E CB -0.101 29.584 29.700 -0.025 0.000 0.748 66 E HN 0.353 nan 8.360 nan 0.000 0.449 67 R N 0.601 121.066 120.500 -0.058 0.000 2.083 67 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 67 R C 2.096 178.348 176.300 -0.079 0.000 1.137 67 R CA 1.825 57.888 56.100 -0.061 0.000 0.951 67 R CB -0.245 30.024 30.300 -0.052 0.000 0.851 67 R HN 0.148 nan 8.270 nan 0.000 0.434 68 D N -0.085 120.252 120.400 -0.105 0.000 2.123 68 D HA -0.047 4.592 4.640 -0.000 0.000 0.200 68 D C 1.856 178.037 176.300 -0.199 0.000 0.976 68 D CA 1.180 55.093 54.000 -0.145 0.000 0.831 68 D CB 0.032 40.732 40.800 -0.168 0.000 0.974 68 D HN 0.248 nan 8.370 nan 0.000 0.469 69 A N -0.043 122.641 122.820 -0.226 0.000 1.892 69 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 69 A C 2.436 180.005 177.584 -0.025 0.000 1.188 69 A CA 1.785 53.685 52.037 -0.229 0.000 0.631 69 A CB -1.055 17.876 19.000 -0.114 0.000 0.822 69 A HN 0.228 nan 8.150 nan 0.000 0.447 70 V N -0.240 119.657 119.914 -0.029 0.000 2.295 70 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 70 V C 2.528 178.615 176.094 -0.013 0.000 1.049 70 V CA 2.487 64.781 62.300 -0.011 0.000 1.024 70 V CB -0.650 31.150 31.823 -0.039 0.000 0.648 70 V HN 0.639 nan 8.190 nan 0.000 0.447 71 K N 0.096 120.470 120.400 -0.043 0.000 2.059 71 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 71 K C 2.143 178.722 176.600 -0.036 0.000 1.050 71 K CA 2.434 58.696 56.287 -0.042 0.000 0.927 71 K CB -0.637 31.823 32.500 -0.066 0.000 0.714 71 K HN 0.539 nan 8.250 nan 0.000 0.447 72 T N 0.117 114.635 114.554 -0.060 0.000 2.737 72 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 72 T C 1.831 176.558 174.700 0.044 0.000 1.038 72 T CA 1.199 63.271 62.100 -0.046 0.000 1.144 72 T CB -0.462 68.317 68.868 -0.149 0.000 0.866 72 T HN 0.378 nan 8.240 nan 0.000 0.434 73 A N 1.311 124.194 122.820 0.105 0.000 1.892 73 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 73 A C 2.314 179.922 177.584 0.041 0.000 1.188 73 A CA 1.418 53.502 52.037 0.078 0.000 0.631 73 A CB -0.873 18.172 19.000 0.074 0.000 0.822 73 A HN 0.515 nan 8.150 nan 0.000 0.447 74 I N -0.669 119.931 120.570 0.049 0.000 2.252 74 I HA -0.200 3.969 4.170 -0.000 0.000 0.245 74 I C 2.885 179.035 176.117 0.056 0.000 1.102 74 I CA 1.510 62.855 61.300 0.076 0.000 1.385 74 I CB -0.213 37.841 38.000 0.090 0.000 1.064 74 I HN 0.477 nan 8.210 nan 0.000 0.414 75 S N 0.897 116.612 115.700 0.024 0.000 2.382 75 S HA -0.156 4.313 4.470 -0.000 0.000 0.228 75 S C 2.026 176.631 174.600 0.009 0.000 1.027 75 S CA 1.117 59.321 58.200 0.006 0.000 0.991 75 S CB -0.143 63.048 63.200 -0.015 0.000 0.823 75 S HN 0.224 nan 8.310 nan 0.000 0.469 76 L N 1.816 123.045 121.223 0.010 0.000 2.072 76 L HA 0.092 4.432 4.340 -0.000 0.000 0.205 76 L C 2.791 179.677 176.870 0.026 0.000 1.079 76 L CA 1.815 56.661 54.840 0.010 0.000 0.752 76 L CB -1.334 40.725 42.059 -0.001 0.000 0.906 76 L HN 0.438 nan 8.230 nan 0.000 0.436 77 V N -0.848 119.081 119.914 0.025 0.000 2.427 77 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 77 V C 2.304 178.422 176.094 0.040 0.000 1.051 77 V CA 1.812 64.126 62.300 0.022 0.000 1.048 77 V CB -1.025 30.783 31.823 -0.025 0.000 0.666 77 V HN 0.415 nan 8.190 nan 0.000 0.456 78 G N -0.041 108.792 108.800 0.055 0.000 2.491 78 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 78 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 78 G C 1.604 176.515 174.900 0.019 0.000 1.180 78 G CA 1.791 46.915 45.100 0.041 0.000 0.774 78 G HN 0.511 nan 8.290 nan 0.000 0.562 79 T N 1.139 115.702 114.554 0.015 0.000 2.652 79 T HA -0.083 4.267 4.350 -0.000 0.000 0.267 79 T C 2.419 177.130 174.700 0.017 0.000 1.039 79 T CA 1.253 63.359 62.100 0.010 0.000 1.153 79 T CB -0.210 68.664 68.868 0.010 0.000 0.863 79 T HN 0.222 nan 8.240 nan 0.000 0.428 80 I N 0.428 121.019 120.570 0.036 0.000 2.315 80 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 80 I C 2.126 178.276 176.117 0.055 0.000 1.117 80 I CA 0.558 61.895 61.300 0.062 0.000 1.404 80 I CB -0.206 37.869 38.000 0.125 0.000 1.071 80 I HN 0.145 nan 8.210 nan 0.000 0.419 81 L N 0.723 121.966 121.223 0.034 0.000 2.127 81 L HA -0.121 4.218 4.340 -0.000 0.000 0.211 81 L C 2.343 179.212 176.870 -0.001 0.000 1.089 81 L CA 1.878 56.726 54.840 0.013 0.000 0.757 81 L CB -1.429 40.641 42.059 0.018 0.000 0.899 81 L HN 0.232 nan 8.230 nan 0.000 0.434 82 G N -1.926 106.873 108.800 -0.002 0.000 2.572 82 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 82 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 82 G C 1.429 176.321 174.900 -0.014 0.000 1.133 82 G CA 0.154 45.244 45.100 -0.017 0.000 0.791 82 G HN 0.194 nan 8.290 nan 0.000 0.538 83 K N -0.268 120.133 120.400 0.001 0.000 2.413 83 K HA 0.282 4.602 4.320 -0.000 0.000 0.204 83 K C -0.076 176.538 176.600 0.023 0.000 1.041 83 K CA -0.698 55.591 56.287 0.004 0.000 1.082 83 K CB 0.555 33.051 32.500 -0.007 0.000 0.871 83 K HN 0.131 nan 8.250 nan 0.000 0.535 84 L N 1.249 122.489 121.223 0.029 0.000 2.534 84 L HA 0.110 4.450 4.340 -0.000 0.000 0.271 84 L C 1.358 178.253 176.870 0.042 0.000 1.178 84 L CA 1.479 56.346 54.840 0.045 0.000 0.907 84 L CB -0.181 41.877 42.059 -0.002 0.000 1.164 84 L HN 0.691 nan 8.230 nan 0.000 0.482 85 G N 2.962 111.808 108.800 0.078 0.000 2.176 85 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.253 85 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.253 85 G C 0.403 175.347 174.900 0.074 0.000 0.979 85 G CA 0.008 45.168 45.100 0.100 0.000 0.641 85 G HN 0.530 nan 8.290 nan 0.000 0.530 86 V N 2.902 122.846 119.914 0.051 0.000 2.555 86 V HA 0.148 4.268 4.120 -0.000 0.000 0.299 86 V C 0.311 176.435 176.094 0.049 0.000 1.012 86 V CA 0.649 62.974 62.300 0.042 0.000 1.180 86 V CB 1.181 33.021 31.823 0.028 0.000 0.887 86 V HN 0.365 nan 8.190 nan 0.000 0.476 87 P HA 0.131 nan 4.420 nan 0.000 0.245 87 P C 0.102 177.474 177.300 0.119 0.000 1.203 87 P CA 0.284 63.414 63.100 0.050 0.000 0.792 87 P CB 0.460 32.185 31.700 0.041 0.000 0.997 88 L N -0.292 121.016 121.223 0.143 0.000 2.343 88 L HA 0.257 4.597 4.340 -0.000 0.000 0.275 88 L C 1.949 178.977 176.870 0.263 0.000 1.056 88 L CA -0.606 54.349 54.840 0.191 0.000 0.804 88 L CB 1.872 43.992 42.059 0.101 0.000 1.203 88 L HN -0.311 nan 8.230 nan 0.000 0.440 89 V N 2.731 122.801 119.914 0.261 0.000 2.427 89 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 89 V C 1.979 178.144 176.094 0.118 0.000 1.051 89 V CA 2.325 64.744 62.300 0.199 0.000 1.048 89 V CB -0.340 31.430 31.823 -0.088 0.000 0.666 89 V HN 1.042 nan 8.190 nan 0.000 0.456 90 G N 0.423 109.257 108.800 0.058 0.000 2.679 90 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 90 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 90 G C -0.147 174.784 174.900 0.052 0.000 1.267 90 G CA 1.337 46.460 45.100 0.038 0.000 0.799 90 G HN 0.542 nan 8.290 nan 0.000 0.606 91 P HA 0.006 nan 4.420 nan 0.000 0.218 91 P C 1.899 179.210 177.300 0.018 0.000 1.149 91 P CA 0.667 63.786 63.100 0.031 0.000 0.817 91 P CB -0.053 31.663 31.700 0.027 0.000 0.785 92 I N -1.356 119.246 120.570 0.053 0.000 2.226 92 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 92 I C 2.192 178.295 176.117 -0.022 0.000 1.100 92 I CA 1.307 62.602 61.300 -0.009 0.000 1.374 92 I CB -0.659 37.444 38.000 0.171 0.000 1.057 92 I HN -0.165 nan 8.210 nan 0.000 0.413 93 V N -0.089 119.906 119.914 0.135 0.000 2.307 93 V HA -0.293 3.826 4.120 -0.000 0.000 0.245 93 V C 2.629 178.816 176.094 0.154 0.000 1.045 93 V CA 2.201 64.626 62.300 0.208 0.000 1.024 93 V CB -0.458 31.457 31.823 0.153 0.000 0.651 93 V HN 0.498 nan 8.190 nan 0.000 0.449 94 S N -0.142 115.608 115.700 0.084 0.000 2.370 94 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 94 S C 2.002 176.636 174.600 0.055 0.000 1.033 94 S CA 2.136 60.373 58.200 0.062 0.000 1.011 94 S CB -0.397 62.824 63.200 0.036 0.000 0.852 94 S HN 0.412 nan 8.310 nan 0.000 0.457 95 L N 0.723 121.948 121.223 0.004 0.000 2.017 95 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 95 L C 2.017 178.917 176.870 0.049 0.000 1.073 95 L CA 1.968 56.789 54.840 -0.032 0.000 0.745 95 L CB -1.216 40.759 42.059 -0.141 0.000 0.894 95 L HN 0.503 nan 8.230 nan 0.000 0.432 96 Y N -0.678 119.698 120.300 0.127 0.000 2.097 96 Y HA -0.346 4.204 4.550 -0.000 0.000 0.282 96 Y C 3.055 179.029 175.900 0.124 0.000 1.152 96 Y CA 1.629 59.823 58.100 0.157 0.000 1.136 96 Y CB -0.673 37.936 38.460 0.250 0.000 0.975 96 Y HN 0.420 nan 8.280 nan 0.000 0.498 97 S N -0.361 115.508 115.700 0.281 0.000 2.372 97 S HA -0.270 4.200 4.470 -0.000 0.000 0.227 97 S C 1.955 176.637 174.600 0.136 0.000 1.044 97 S CA 2.353 60.660 58.200 0.178 0.000 1.050 97 S CB -0.804 62.475 63.200 0.131 0.000 0.901 97 S HN 0.492 nan 8.310 nan 0.000 0.447 98 T N 2.312 116.930 114.554 0.108 0.000 2.746 98 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 98 T C 1.674 176.416 174.700 0.069 0.000 1.039 98 T CA 1.408 63.550 62.100 0.070 0.000 1.142 98 T CB -0.363 68.531 68.868 0.044 0.000 0.866 98 T HN 0.219 nan 8.240 nan 0.000 0.444 99 L N 0.552 121.831 121.223 0.094 0.000 2.156 99 L HA 0.163 4.502 4.340 -0.000 0.000 0.208 99 L C 2.247 179.185 176.870 0.113 0.000 1.095 99 L CA 1.008 55.892 54.840 0.073 0.000 0.770 99 L CB -0.969 41.143 42.059 0.089 0.000 0.914 99 L HN 0.322 nan 8.230 nan 0.000 0.439 100 I N -0.422 120.274 120.570 0.209 0.000 2.179 100 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 100 I C 1.996 178.264 176.117 0.251 0.000 1.088 100 I CA 1.176 62.680 61.300 0.341 0.000 1.357 100 I CB -0.433 37.742 38.000 0.292 0.000 1.051 100 I HN 0.231 nan 8.210 nan 0.000 0.409 101 D N 0.677 121.161 120.400 0.141 0.000 2.149 101 D HA -0.136 4.503 4.640 -0.000 0.000 0.198 101 D C 2.325 178.638 176.300 0.022 0.000 0.990 101 D CA 1.088 55.138 54.000 0.084 0.000 0.839 101 D CB -0.328 40.505 40.800 0.055 0.000 0.948 101 D HN 0.163 nan 8.370 nan 0.000 0.460 102 V N 0.432 120.334 119.914 -0.019 0.000 2.379 102 V HA -0.132 3.988 4.120 -0.000 0.000 0.245 102 V C 2.419 178.376 176.094 -0.229 0.000 1.044 102 V CA 1.119 63.356 62.300 -0.104 0.000 1.036 102 V CB -0.161 31.604 31.823 -0.097 0.000 0.664 102 V HN 0.171 nan 8.190 nan 0.000 0.453 103 L N -2.093 118.946 121.223 -0.307 0.000 2.357 103 L HA 0.103 4.442 4.340 -0.000 0.000 0.211 103 L C 0.747 177.100 176.870 -0.860 0.000 1.075 103 L CA 0.413 54.801 54.840 -0.754 0.000 0.830 103 L CB 0.107 41.547 42.059 -1.032 0.000 0.996 103 L HN 0.389 nan 8.230 nan 0.000 0.467 104 W N 1.416 122.721 121.300 0.010 0.000 2.286 104 W HA 0.317 4.977 4.660 -0.000 0.000 0.296 104 W C -1.845 174.681 176.519 0.011 0.000 0.911 104 W CA -1.356 56.020 57.345 0.052 0.000 1.761 104 W CB 0.019 29.547 29.460 0.113 0.000 1.820 104 W HN 0.010 nan 8.180 nan 0.000 0.403 105 P HA 0.074 nan 4.420 nan 0.000 0.236 105 P C 0.796 178.137 177.300 0.069 0.000 1.177 105 P CA 0.784 63.914 63.100 0.050 0.000 0.773 105 P CB 1.007 32.692 31.700 -0.025 0.000 0.878 106 G N -1.328 107.532 108.800 0.099 0.000 2.911 106 G HA2 0.329 4.289 3.960 -0.000 0.000 0.686 106 G HA3 0.329 4.289 3.960 -0.000 0.000 0.686 106 G C 0.143 175.072 174.900 0.049 0.000 1.136 106 G CA -0.348 44.801 45.100 0.081 0.000 0.764 106 G HN 0.527 nan 8.290 nan 0.000 0.626 107 G N 1.955 110.785 108.800 0.049 0.000 2.972 107 G HA2 0.063 4.023 3.960 -0.000 0.000 0.265 107 G HA3 0.063 4.023 3.960 -0.000 0.000 0.265 107 G C 0.649 175.566 174.900 0.028 0.000 1.506 107 G CA 1.096 46.213 45.100 0.028 0.000 1.016 107 G HN 2.335 nan 8.290 nan 0.000 0.563 108 K N 0.876 121.280 120.400 0.006 0.000 2.270 108 K HA 0.588 4.907 4.320 -0.000 0.000 0.276 108 K C 0.468 177.070 176.600 0.003 0.000 1.023 108 K CA 0.577 56.862 56.287 -0.003 0.000 0.955 108 K CB 1.439 33.921 32.500 -0.030 0.000 0.975 108 K HN 0.900 nan 8.250 nan 0.000 0.471 109 S N 1.924 117.641 115.700 0.027 0.000 2.498 109 S HA -0.057 4.413 4.470 -0.000 0.000 0.281 109 S C 0.955 175.515 174.600 -0.066 0.000 1.265 109 S CA -0.307 57.929 58.200 0.061 0.000 1.071 109 S CB 0.833 64.107 63.200 0.124 0.000 0.894 109 S HN 0.831 nan 8.310 nan 0.000 0.491 110 Q N 4.588 124.263 119.800 -0.208 0.000 2.224 110 Q HA 0.002 4.342 4.340 -0.000 0.000 0.203 110 Q C 1.059 176.760 176.000 -0.498 0.000 0.970 110 Q CA 1.960 57.484 55.803 -0.465 0.000 0.865 110 Q CB -0.176 28.166 28.738 -0.660 0.000 0.922 110 Q HN 0.955 nan 8.270 nan 0.000 0.445 111 W N 0.133 121.338 121.300 -0.158 0.000 2.388 111 W HA -0.047 4.613 4.660 -0.000 0.000 0.294 111 W C 2.117 178.627 176.519 -0.013 0.000 1.212 111 W CA 0.848 58.188 57.345 -0.008 0.000 1.271 111 W CB -0.226 29.205 29.460 -0.048 0.000 1.126 111 W HN 0.251 nan 8.180 nan 0.000 0.535 112 E N 1.212 121.495 120.200 0.139 0.000 2.160 112 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 112 E C 1.705 178.295 176.600 -0.017 0.000 0.991 112 E CA 1.617 58.050 56.400 0.056 0.000 0.810 112 E CB -0.578 29.136 29.700 0.024 0.000 0.742 112 E HN 0.316 nan 8.360 nan 0.000 0.466 113 I N -0.338 120.146 120.570 -0.142 0.000 2.226 113 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 113 I C 1.840 177.824 176.117 -0.221 0.000 1.100 113 I CA 1.127 62.277 61.300 -0.251 0.000 1.374 113 I CB -0.335 37.406 38.000 -0.431 0.000 1.057 113 I HN 0.134 nan 8.210 nan 0.000 0.413 114 F N 0.264 120.175 119.950 -0.066 0.000 2.186 114 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 114 F C 2.627 178.430 175.800 0.004 0.000 1.090 114 F CA 0.885 58.859 58.000 -0.043 0.000 1.307 114 F CB -0.343 38.635 39.000 -0.035 0.000 1.019 114 F HN -0.055 nan 8.300 nan 0.000 0.489 115 M N 0.045 119.772 119.600 0.212 0.000 2.065 115 M HA -0.268 4.212 4.480 -0.000 0.000 0.259 115 M C 2.075 178.426 176.300 0.086 0.000 1.071 115 M CA 1.922 57.303 55.300 0.134 0.000 1.109 115 M CB -0.716 31.947 32.600 0.105 0.000 1.313 115 M HN 0.130 nan 8.290 nan 0.000 0.408 116 E N 0.020 120.249 120.200 0.047 0.000 2.110 116 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 116 E C 2.045 178.660 176.600 0.025 0.000 0.988 116 E CA 1.244 57.658 56.400 0.022 0.000 0.804 116 E CB -0.229 29.465 29.700 -0.010 0.000 0.745 116 E HN 0.496 nan 8.360 nan 0.000 0.458 117 Q N 0.773 120.587 119.800 0.024 0.000 2.045 117 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 117 Q C 2.177 178.207 176.000 0.049 0.000 0.991 117 Q CA 2.083 57.902 55.803 0.027 0.000 0.851 117 Q CB 0.069 28.833 28.738 0.042 0.000 0.911 117 Q HN 0.204 nan 8.270 nan 0.000 0.418 118 V N 0.862 120.821 119.914 0.076 0.000 2.488 118 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 118 V C 2.022 178.187 176.094 0.117 0.000 1.046 118 V CA 1.793 64.149 62.300 0.095 0.000 1.053 118 V CB -0.621 31.267 31.823 0.109 0.000 0.679 118 V HN 0.360 nan 8.190 nan 0.000 0.458 119 E N 0.905 121.164 120.200 0.097 0.000 2.097 119 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 119 E C 2.296 178.940 176.600 0.074 0.000 1.000 119 E CA 1.583 58.035 56.400 0.086 0.000 0.804 119 E CB -0.321 29.419 29.700 0.066 0.000 0.740 119 E HN 0.619 nan 8.360 nan 0.000 0.454 120 A N 0.831 123.688 122.820 0.061 0.000 1.929 120 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 120 A C 2.163 179.788 177.584 0.068 0.000 1.176 120 A CA 0.759 52.827 52.037 0.052 0.000 0.628 120 A CB -0.470 18.551 19.000 0.034 0.000 0.816 120 A HN 0.117 nan 8.150 nan 0.000 0.444 121 L N -0.340 120.939 121.223 0.094 0.000 2.042 121 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 121 L C 2.356 179.319 176.870 0.156 0.000 1.076 121 L CA 1.864 56.791 54.840 0.145 0.000 0.749 121 L CB -0.414 41.767 42.059 0.205 0.000 0.893 121 L HN 0.701 nan 8.230 nan 0.000 0.432 122 I N -5.223 115.432 120.570 0.142 0.000 4.018 122 I HA 0.175 4.345 4.170 -0.000 0.000 0.337 122 I C 0.634 176.782 176.117 0.053 0.000 1.327 122 I CA -0.121 61.231 61.300 0.087 0.000 1.100 122 I CB 0.125 38.185 38.000 0.100 0.000 1.025 122 I HN 0.205 nan 8.210 nan 0.000 0.396 123 N N 2.768 121.503 118.700 0.059 0.000 2.725 123 N HA -0.163 4.577 4.740 -0.000 0.000 0.251 123 N C -0.808 174.730 175.510 0.048 0.000 1.031 123 N CA 0.886 53.963 53.050 0.045 0.000 0.720 123 N CB -0.399 38.105 38.487 0.029 0.000 0.930 123 N HN 0.643 nan 8.380 nan 0.000 0.543 124 Q N 0.197 120.037 119.800 0.066 0.000 2.451 124 Q HA 0.420 4.759 4.340 -0.000 0.000 0.281 124 Q C -0.336 175.721 176.000 0.094 0.000 1.099 124 Q CA -0.503 55.348 55.803 0.081 0.000 0.806 124 Q CB 1.938 30.732 28.738 0.093 0.000 1.419 124 Q HN 0.227 nan 8.270 nan 0.000 0.427 125 K N 1.703 122.168 120.400 0.109 0.000 2.292 125 K HA 0.485 4.805 4.320 -0.000 0.000 0.257 125 K C -0.448 176.206 176.600 0.090 0.000 0.940 125 K CA -0.559 55.777 56.287 0.082 0.000 0.811 125 K CB 1.059 33.593 32.500 0.057 0.000 1.120 125 K HN 0.578 nan 8.250 nan 0.000 0.428 126 I N 3.512 124.081 120.570 -0.002 0.000 2.556 126 I HA 0.025 4.194 4.170 -0.000 0.000 0.284 126 I C 0.812 176.722 176.117 -0.345 0.000 1.114 126 I CA -0.186 60.977 61.300 -0.228 0.000 1.418 126 I CB 1.149 39.057 38.000 -0.152 0.000 1.394 126 I HN 0.695 nan 8.210 nan 0.000 0.552 127 A N 4.950 127.335 122.820 -0.725 0.000 2.547 127 A HA -0.051 4.269 4.320 -0.000 0.000 0.233 127 A C 1.350 178.818 177.584 -0.195 0.000 1.067 127 A CA -0.054 51.772 52.037 -0.352 0.000 0.763 127 A CB 0.222 19.025 19.000 -0.329 0.000 1.007 127 A HN 0.859 nan 8.150 nan 0.000 0.506 128 E N 1.102 121.258 120.200 -0.072 0.000 2.077 128 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 128 E C 1.516 178.091 176.600 -0.042 0.000 0.989 128 E CA 2.304 58.676 56.400 -0.046 0.000 0.800 128 E CB -0.486 29.205 29.700 -0.014 0.000 0.746 128 E HN 0.798 nan 8.360 nan 0.000 0.452 129 Y N 0.432 120.676 120.300 -0.092 0.000 2.053 129 Y HA -0.284 4.266 4.550 -0.000 0.000 0.277 129 Y C 2.245 178.090 175.900 -0.092 0.000 1.159 129 Y CA 2.529 60.583 58.100 -0.076 0.000 1.125 129 Y CB -0.763 37.664 38.460 -0.055 0.000 0.969 129 Y HN 0.159 nan 8.280 nan 0.000 0.492 130 A N 0.419 123.297 122.820 0.097 0.000 1.908 130 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 130 A C 2.369 179.910 177.584 -0.072 0.000 1.181 130 A CA 2.000 54.042 52.037 0.008 0.000 0.627 130 A CB -0.888 18.038 19.000 -0.122 0.000 0.818 130 A HN 0.576 nan 8.150 nan 0.000 0.445 131 R N -0.510 119.927 120.500 -0.105 0.000 2.073 131 R HA -0.084 4.255 4.340 -0.000 0.000 0.234 131 R C 2.361 178.606 176.300 -0.091 0.000 1.134 131 R CA 1.429 57.484 56.100 -0.076 0.000 0.952 131 R CB -0.426 29.830 30.300 -0.073 0.000 0.850 131 R HN 0.444 nan 8.270 nan 0.000 0.433 132 A N 1.373 124.105 122.820 -0.147 0.000 1.858 132 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 132 A C 2.112 179.572 177.584 -0.206 0.000 1.190 132 A CA 1.776 53.707 52.037 -0.177 0.000 0.617 132 A CB -0.555 18.304 19.000 -0.235 0.000 0.827 132 A HN 0.392 nan 8.150 nan 0.000 0.443 133 K N -0.455 119.773 120.400 -0.286 0.000 2.020 133 K HA -0.165 4.154 4.320 -0.000 0.000 0.212 133 K C 2.157 178.636 176.600 -0.201 0.000 1.050 133 K CA 1.574 57.696 56.287 -0.274 0.000 0.929 133 K CB -0.364 31.973 32.500 -0.271 0.000 0.714 133 K HN 0.392 nan 8.250 nan 0.000 0.443 134 A N 0.619 123.380 122.820 -0.098 0.000 1.873 134 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 134 A C 1.981 179.546 177.584 -0.033 0.000 1.186 134 A CA 1.142 53.203 52.037 0.039 0.000 0.616 134 A CB -0.554 18.560 19.000 0.191 0.000 0.823 134 A HN 0.258 nan 8.150 nan 0.000 0.442 135 L N -0.285 120.907 121.223 -0.051 0.000 2.042 135 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 135 L C 2.993 179.819 176.870 -0.073 0.000 1.076 135 L CA 1.917 56.733 54.840 -0.041 0.000 0.749 135 L CB -1.469 40.585 42.059 -0.009 0.000 0.893 135 L HN 0.427 nan 8.230 nan 0.000 0.432 136 A N -0.792 121.957 122.820 -0.119 0.000 1.877 136 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 136 A C 2.234 179.695 177.584 -0.205 0.000 1.186 136 A CA 1.719 53.672 52.037 -0.139 0.000 0.620 136 A CB -0.538 18.362 19.000 -0.166 0.000 0.822 136 A HN 0.497 nan 8.150 nan 0.000 0.443 137 E N -0.343 119.651 120.200 -0.343 0.000 2.110 137 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 137 E C 1.927 178.344 176.600 -0.305 0.000 0.988 137 E CA 1.179 57.209 56.400 -0.616 0.000 0.804 137 E CB -0.270 28.799 29.700 -1.052 0.000 0.745 137 E HN 0.627 nan 8.360 nan 0.000 0.458 138 L N 0.553 121.636 121.223 -0.233 0.000 2.109 138 L HA -0.150 4.189 4.340 -0.000 0.000 0.207 138 L C 2.505 179.413 176.870 0.063 0.000 1.086 138 L CA 0.788 55.443 54.840 -0.308 0.000 0.760 138 L CB -0.160 41.360 42.059 -0.897 0.000 0.910 138 L HN 0.061 nan 8.230 nan 0.000 0.437 139 E N 0.716 120.961 120.200 0.074 0.000 2.058 139 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 139 E C 2.148 178.711 176.600 -0.061 0.000 0.997 139 E CA 1.695 58.172 56.400 0.128 0.000 0.801 139 E CB -0.487 29.261 29.700 0.080 0.000 0.746 139 E HN 0.334 nan 8.360 nan 0.000 0.450 140 G N 0.091 108.840 108.800 -0.084 0.000 2.432 140 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 140 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 140 G C 1.377 176.186 174.900 -0.152 0.000 1.135 140 G CA 0.703 45.746 45.100 -0.095 0.000 0.767 140 G HN 0.243 nan 8.290 nan 0.000 0.550 141 L N 1.562 122.693 121.223 -0.155 0.000 2.079 141 L HA 0.052 4.392 4.340 -0.000 0.000 0.210 141 L C 2.954 179.539 176.870 -0.475 0.000 1.081 141 L CA 1.693 56.374 54.840 -0.265 0.000 0.752 141 L CB -1.220 40.701 42.059 -0.231 0.000 0.896 141 L HN 0.254 nan 8.230 nan 0.000 0.433 142 G N -1.069 107.174 108.800 -0.928 0.000 2.402 142 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.216 142 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.216 142 G C 1.493 175.897 174.900 -0.826 0.000 1.162 142 G CA 0.518 44.442 45.100 -1.961 0.000 0.777 142 G HN 0.382 nan 8.290 nan 0.000 0.539 143 N N 1.434 119.850 118.700 -0.472 0.000 2.069 143 N HA -0.094 4.646 4.740 -0.000 0.000 0.191 143 N C 1.918 177.312 175.510 -0.193 0.000 1.031 143 N CA 1.047 53.947 53.050 -0.250 0.000 0.852 143 N CB -0.465 37.927 38.487 -0.158 0.000 1.018 143 N HN 0.338 nan 8.380 nan 0.000 0.423 144 N N -0.332 118.245 118.700 -0.204 0.000 2.409 144 N HA -0.081 4.658 4.740 -0.000 0.000 0.179 144 N C 1.473 176.905 175.510 -0.130 0.000 1.032 144 N CA 0.271 53.225 53.050 -0.161 0.000 0.898 144 N CB -0.085 38.286 38.487 -0.193 0.000 0.971 144 N HN 0.345 nan 8.380 nan 0.000 0.441 145 Y N 1.687 121.848 120.300 -0.231 0.000 2.263 145 Y HA -0.203 4.347 4.550 -0.000 0.000 0.292 145 Y C 2.795 178.654 175.900 -0.068 0.000 1.130 145 Y CA 1.162 59.190 58.100 -0.120 0.000 1.179 145 Y CB 0.207 38.568 38.460 -0.165 0.000 0.998 145 Y HN 0.000 nan 8.280 nan 0.000 0.532 146 Q N 0.605 120.431 119.800 0.044 0.000 2.084 146 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 146 Q C 1.977 177.987 176.000 0.016 0.000 0.978 146 Q CA 1.845 57.667 55.803 0.031 0.000 0.844 146 Q CB -0.559 28.165 28.738 -0.023 0.000 0.898 146 Q HN 0.567 nan 8.270 nan 0.000 0.426 147 L N -0.710 120.507 121.223 -0.010 0.000 2.083 147 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 147 L C 2.230 179.105 176.870 0.008 0.000 1.083 147 L CA 1.418 56.249 54.840 -0.015 0.000 0.752 147 L CB -0.606 41.432 42.059 -0.035 0.000 0.899 147 L HN 0.331 nan 8.230 nan 0.000 0.433 148 Y N 0.365 120.594 120.300 -0.118 0.000 2.263 148 Y HA -0.221 4.329 4.550 -0.000 0.000 0.292 148 Y C 2.251 178.111 175.900 -0.066 0.000 1.130 148 Y CA 1.254 59.272 58.100 -0.137 0.000 1.179 148 Y CB -0.118 38.194 38.460 -0.248 0.000 0.998 148 Y HN 0.051 nan 8.280 nan 0.000 0.532 149 L N -0.197 120.933 121.223 -0.155 0.000 2.056 149 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 149 L C 2.186 178.990 176.870 -0.111 0.000 1.078 149 L CA 2.512 57.257 54.840 -0.159 0.000 0.749 149 L CB -1.232 40.856 42.059 0.048 0.000 0.901 149 L HN 0.237 nan 8.230 nan 0.000 0.433 150 T N -0.106 114.410 114.554 -0.064 0.000 2.708 150 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 150 T C 1.909 176.570 174.700 -0.065 0.000 1.037 150 T CA 1.433 63.508 62.100 -0.042 0.000 1.146 150 T CB -0.500 68.353 68.868 -0.026 0.000 0.865 150 T HN 0.539 nan 8.240 nan 0.000 0.435 151 A N 1.115 123.873 122.820 -0.102 0.000 1.908 151 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 151 A C 2.322 179.831 177.584 -0.125 0.000 1.181 151 A CA 1.184 53.151 52.037 -0.118 0.000 0.627 151 A CB -0.884 18.033 19.000 -0.138 0.000 0.818 151 A HN 0.471 nan 8.150 nan 0.000 0.445 152 L N -0.874 120.219 121.223 -0.218 0.000 2.017 152 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 152 L C 2.606 179.519 176.870 0.072 0.000 1.073 152 L CA 2.055 56.836 54.840 -0.098 0.000 0.745 152 L CB -0.480 41.431 42.059 -0.245 0.000 0.894 152 L HN 0.524 nan 8.230 nan 0.000 0.432 153 E N -0.201 120.003 120.200 0.007 0.000 2.058 153 E HA -0.281 4.068 4.350 -0.000 0.000 0.194 153 E C 1.994 178.599 176.600 0.008 0.000 0.997 153 E CA 1.599 58.008 56.400 0.015 0.000 0.801 153 E CB 0.021 29.725 29.700 0.007 0.000 0.746 153 E HN 0.485 nan 8.360 nan 0.000 0.450 154 E N -0.344 119.863 120.200 0.011 0.000 2.085 154 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 154 E C 1.648 178.277 176.600 0.048 0.000 0.994 154 E CA 1.182 57.590 56.400 0.013 0.000 0.801 154 E CB -0.202 29.501 29.700 0.005 0.000 0.743 154 E HN 0.381 nan 8.360 nan 0.000 0.453 155 W N 1.948 123.185 121.300 -0.104 0.000 2.358 155 W HA -0.200 4.460 4.660 -0.000 0.000 0.303 155 W C 2.267 178.746 176.519 -0.066 0.000 1.208 155 W CA 1.762 59.054 57.345 -0.089 0.000 1.274 155 W CB -0.273 29.121 29.460 -0.111 0.000 1.138 155 W HN 0.016 nan 8.180 nan 0.000 0.515 156 Q N 0.041 119.707 119.800 -0.225 0.000 2.135 156 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 156 Q C 1.515 177.324 176.000 -0.318 0.000 0.981 156 Q CA 2.341 57.897 55.803 -0.412 0.000 0.856 156 Q CB -0.181 28.447 28.738 -0.184 0.000 0.902 156 Q HN 0.462 nan 8.270 nan 0.000 0.425 157 E N -0.477 119.612 120.200 -0.184 0.000 2.447 157 E HA 0.098 4.448 4.350 -0.000 0.000 0.204 157 E C -0.377 176.159 176.600 -0.108 0.000 0.977 157 E CA -0.119 56.204 56.400 -0.128 0.000 0.950 157 E CB 0.601 30.255 29.700 -0.077 0.000 0.975 157 E HN 0.327 nan 8.360 nan 0.000 0.496 158 N N 0.709 119.346 118.700 -0.103 0.000 2.697 158 N HA 0.441 5.181 4.740 -0.000 0.000 0.272 158 N C -2.713 172.759 175.510 -0.064 0.000 1.381 158 N CA -1.425 51.586 53.050 -0.066 0.000 0.797 158 N CB 0.919 39.386 38.487 -0.034 0.000 1.523 158 N HN -0.193 nan 8.380 nan 0.000 0.518 162 T N 0.664 115.227 114.554 0.015 0.000 2.904 162 T HA 0.061 4.411 4.350 -0.000 0.000 0.267 162 T C 1.718 176.408 174.700 -0.018 0.000 1.059 162 T CA 1.685 63.785 62.100 0.000 0.000 1.137 162 T CB -0.422 68.445 68.868 -0.001 0.000 0.879 162 T HN 0.622 nan 8.240 nan 0.000 0.467 163 R N 0.030 120.522 120.500 -0.015 0.000 2.073 163 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 163 R C 2.493 178.770 176.300 -0.040 0.000 1.134 163 R CA 1.331 57.415 56.100 -0.026 0.000 0.952 163 R CB -0.558 29.731 30.300 -0.019 0.000 0.850 163 R HN 0.252 nan 8.270 nan 0.000 0.433 164 V N 1.249 121.152 119.914 -0.019 0.000 2.307 164 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 164 V C 2.225 178.271 176.094 -0.081 0.000 1.045 164 V CA 1.629 63.920 62.300 -0.015 0.000 1.024 164 V CB -0.351 31.505 31.823 0.054 0.000 0.651 164 V HN 0.285 nan 8.190 nan 0.000 0.449 165 L N -0.402 120.778 121.223 -0.071 0.000 2.046 165 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 165 L C 2.696 179.399 176.870 -0.279 0.000 1.077 165 L CA 1.908 56.633 54.840 -0.192 0.000 0.747 165 L CB -0.582 41.431 42.059 -0.077 0.000 0.896 165 L HN 0.266 nan 8.230 nan 0.000 0.432 166 R N 0.143 120.539 120.500 -0.174 0.000 2.092 166 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 166 R C 1.987 178.183 176.300 -0.174 0.000 1.119 166 R CA 1.757 57.762 56.100 -0.159 0.000 0.970 166 R CB -0.152 30.094 30.300 -0.090 0.000 0.864 166 R HN 0.248 nan 8.270 nan 0.000 0.440 167 D N -0.349 119.954 120.400 -0.162 0.000 2.092 167 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 167 D C 1.782 177.957 176.300 -0.208 0.000 0.994 167 D CA 1.382 55.296 54.000 -0.145 0.000 0.828 167 D CB -0.190 40.544 40.800 -0.111 0.000 0.963 167 D HN 0.111 nan 8.370 nan 0.000 0.450 168 V N 0.083 119.779 119.914 -0.363 0.000 2.358 168 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 168 V C 2.546 178.294 176.094 -0.577 0.000 1.047 168 V CA 2.001 63.974 62.300 -0.544 0.000 1.035 168 V CB -0.384 30.873 31.823 -0.943 0.000 0.658 168 V HN 0.142 nan 8.190 nan 0.000 0.452 169 R N 0.641 120.750 120.500 -0.652 0.000 2.112 169 R HA -0.270 4.070 4.340 -0.000 0.000 0.242 169 R C 2.121 178.402 176.300 -0.031 0.000 1.137 169 R CA 2.645 58.486 56.100 -0.431 0.000 0.944 169 R CB -0.494 29.521 30.300 -0.476 0.000 0.857 169 R HN 0.893 nan 8.270 nan 0.000 0.435 170 N N -0.904 117.760 118.700 -0.061 0.000 2.376 170 N HA -0.094 4.646 4.740 -0.000 0.000 0.177 170 N C 1.583 177.100 175.510 0.012 0.000 1.024 170 N CA 0.327 53.389 53.050 0.020 0.000 0.893 170 N CB 0.120 38.603 38.487 -0.007 0.000 0.980 170 N HN -0.044 nan 8.380 nan 0.000 0.439 171 R N 0.118 120.614 120.500 -0.007 0.000 2.092 171 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 171 R C 1.591 177.862 176.300 -0.047 0.000 1.119 171 R CA 0.781 56.886 56.100 0.008 0.000 0.970 171 R CB -1.359 28.990 30.300 0.081 0.000 0.864 171 R HN 0.395 nan 8.270 nan 0.000 0.440 172 F N 1.698 121.551 119.950 -0.161 0.000 2.113 172 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 172 F C 1.887 177.574 175.800 -0.188 0.000 1.103 172 F CA 1.614 59.410 58.000 -0.338 0.000 1.248 172 F CB -0.014 38.943 39.000 -0.072 0.000 0.999 172 F HN 0.059 nan 8.300 nan 0.000 0.475 173 E N 0.550 120.870 120.200 0.200 0.000 2.051 173 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 173 E C 2.306 178.876 176.600 -0.049 0.000 0.991 173 E CA 1.805 58.294 56.400 0.148 0.000 0.799 173 E CB -0.316 29.545 29.700 0.269 0.000 0.748 173 E HN 0.494 nan 8.360 nan 0.000 0.449 174 I N 1.156 121.679 120.570 -0.080 0.000 2.127 174 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 174 I C 2.542 178.525 176.117 -0.224 0.000 1.075 174 I CA 1.023 62.244 61.300 -0.131 0.000 1.334 174 I CB -0.218 37.716 38.000 -0.110 0.000 1.040 174 I HN 0.155 nan 8.210 nan 0.000 0.405 175 L N 0.542 121.581 121.223 -0.306 0.000 1.989 175 L HA -0.303 4.037 4.340 -0.000 0.000 0.211 175 L C 2.316 179.027 176.870 -0.266 0.000 1.071 175 L CA 2.294 56.913 54.840 -0.369 0.000 0.749 175 L CB -0.491 41.230 42.059 -0.564 0.000 0.890 175 L HN 0.350 nan 8.230 nan 0.000 0.431 176 D N -1.196 118.991 120.400 -0.356 0.000 2.123 176 D HA -0.247 4.392 4.640 -0.000 0.000 0.196 176 D C 2.260 178.489 176.300 -0.118 0.000 0.992 176 D CA 1.644 55.521 54.000 -0.205 0.000 0.833 176 D CB 0.037 40.654 40.800 -0.306 0.000 0.954 176 D HN 0.187 nan 8.370 nan 0.000 0.455 177 S N -1.383 114.230 115.700 -0.145 0.000 2.370 177 S HA -0.113 4.356 4.470 -0.000 0.000 0.226 177 S C 1.826 176.255 174.600 -0.286 0.000 1.033 177 S CA 0.714 58.825 58.200 -0.149 0.000 1.011 177 S CB -0.363 62.764 63.200 -0.122 0.000 0.852 177 S HN 0.239 nan 8.310 nan 0.000 0.457 178 L N 0.606 121.583 121.223 -0.410 0.000 2.056 178 L HA 0.142 4.482 4.340 -0.000 0.000 0.207 178 L C 2.040 178.449 176.870 -0.768 0.000 1.078 178 L CA 1.575 55.959 54.840 -0.761 0.000 0.749 178 L CB -1.456 40.183 42.059 -0.701 0.000 0.901 178 L HN 0.360 nan 8.230 nan 0.000 0.433 179 F N -0.220 119.424 119.950 -0.509 0.000 2.095 179 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 179 F C 2.495 178.043 175.800 -0.420 0.000 1.104 179 F CA 1.969 59.661 58.000 -0.513 0.000 1.232 179 F CB -0.936 37.442 39.000 -1.037 0.000 0.987 179 F HN 0.054 nan 8.300 nan 0.000 0.475 180 T N -0.579 113.872 114.554 -0.171 0.000 2.635 180 T HA -0.313 4.037 4.350 -0.000 0.000 0.267 180 T C 1.849 176.496 174.700 -0.089 0.000 1.040 180 T CA 1.821 63.890 62.100 -0.051 0.000 1.156 180 T CB -0.507 68.351 68.868 -0.016 0.000 0.863 180 T HN 0.318 nan 8.240 nan 0.000 0.430 181 Q N -0.533 119.140 119.800 -0.212 0.000 2.096 181 Q HA -0.103 4.236 4.340 -0.000 0.000 0.204 181 Q C 1.993 177.957 176.000 -0.059 0.000 0.982 181 Q CA 1.747 57.430 55.803 -0.200 0.000 0.850 181 Q CB -0.188 28.303 28.738 -0.411 0.000 0.901 181 Q HN 0.722 nan 8.270 nan 0.000 0.422 182 Y N -1.743 118.429 120.300 -0.214 0.000 2.479 182 Y HA -0.009 4.541 4.550 -0.000 0.000 0.283 182 Y C 2.211 177.699 175.900 -0.686 0.000 1.109 182 Y CA -0.739 57.136 58.100 -0.375 0.000 1.239 182 Y CB 0.214 38.496 38.460 -0.298 0.000 1.108 182 Y HN 0.098 nan 8.280 nan 0.000 0.548 183 M N 0.428 119.889 119.600 -0.231 0.000 2.116 183 M HA -0.195 4.285 4.480 -0.000 0.000 0.255 183 M C -0.871 175.248 176.300 -0.302 0.000 1.075 183 M CA 1.880 57.030 55.300 -0.250 0.000 1.087 183 M CB -2.408 30.214 32.600 0.036 0.000 1.340 183 M HN 0.096 nan 8.290 nan 0.000 0.402 184 P HA -0.056 nan 4.420 nan 0.000 0.221 184 P C 1.283 178.472 177.300 -0.186 0.000 1.145 184 P CA 1.130 64.172 63.100 -0.097 0.000 0.795 184 P CB -0.146 31.529 31.700 -0.041 0.000 0.775 185 S N -1.576 113.858 115.700 -0.444 0.000 2.515 185 S HA 0.020 4.490 4.470 -0.000 0.000 0.231 185 S C 0.939 175.380 174.600 -0.264 0.000 0.987 185 S CA 0.723 58.683 58.200 -0.400 0.000 0.936 185 S CB -0.891 61.987 63.200 -0.536 0.000 0.766 185 S HN 0.283 nan 8.310 nan 0.000 0.528 186 F N 1.464 121.449 119.950 0.059 0.000 2.641 186 F HA 0.286 4.813 4.527 -0.000 0.000 0.302 186 F C 1.231 177.115 175.800 0.139 0.000 1.098 186 F CA -0.595 57.466 58.000 0.101 0.000 1.318 186 F CB 0.105 39.161 39.000 0.094 0.000 1.035 186 F HN 0.102 nan 8.300 nan 0.000 0.551 187 R N -0.520 120.064 120.500 0.141 0.000 2.617 187 R HA 0.316 4.656 4.340 -0.000 0.000 0.432 187 R C -1.031 175.276 176.300 0.010 0.000 1.018 187 R CA -0.298 55.817 56.100 0.026 0.000 1.077 187 R CB -0.687 29.591 30.300 -0.037 0.000 1.394 187 R HN -0.024 nan 8.270 nan 0.000 0.608 188 V N 2.082 122.034 119.914 0.064 0.000 2.539 188 V HA -0.061 4.059 4.120 -0.000 0.000 0.300 188 V C 0.792 176.929 176.094 0.072 0.000 1.019 188 V CA 0.718 63.081 62.300 0.104 0.000 1.160 188 V CB 0.679 32.614 31.823 0.186 0.000 0.901 188 V HN 0.418 nan 8.190 nan 0.000 0.481 189 T N 5.413 119.983 114.554 0.027 0.000 2.819 189 T HA 0.260 4.609 4.350 -0.000 0.000 0.282 189 T C 1.348 175.944 174.700 -0.173 0.000 1.013 189 T CA 1.285 63.357 62.100 -0.047 0.000 1.159 189 T CB 0.077 68.941 68.868 -0.006 0.000 1.007 189 T HN 1.484 nan 8.240 nan 0.000 0.514 190 G N 2.998 111.626 108.800 -0.286 0.000 2.225 190 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 190 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 190 G C 0.341 174.786 174.900 -0.759 0.000 0.988 190 G CA 0.258 45.044 45.100 -0.524 0.000 0.625 190 G HN 0.798 nan 8.290 nan 0.000 0.527 191 Y N 0.460 120.696 120.300 -0.106 0.000 2.706 191 Y HA 0.466 5.016 4.550 -0.000 0.000 0.255 191 Y C 1.777 177.576 175.900 -0.169 0.000 1.163 191 Y CA 0.194 58.241 58.100 -0.088 0.000 1.174 191 Y CB 0.510 38.955 38.460 -0.024 0.000 1.200 191 Y HN 0.257 nan 8.280 nan 0.000 0.544 192 E N 0.302 120.304 120.200 -0.330 0.000 2.110 192 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 192 E C 1.979 178.368 176.600 -0.352 0.000 0.988 192 E CA 1.377 57.415 56.400 -0.603 0.000 0.804 192 E CB -0.118 28.506 29.700 -1.794 0.000 0.745 192 E HN 0.285 nan 8.360 nan 0.000 0.458 193 V N 1.438 121.248 119.914 -0.173 0.000 2.283 193 V HA -0.137 3.982 4.120 -0.000 0.000 0.243 193 V C -0.864 175.309 176.094 0.132 0.000 1.039 193 V CA 1.739 64.089 62.300 0.084 0.000 1.016 193 V CB -1.633 30.299 31.823 0.181 0.000 0.650 193 V HN 0.258 nan 8.190 nan 0.000 0.449 194 P HA -0.121 nan 4.420 nan 0.000 0.222 194 P C 1.556 178.938 177.300 0.137 0.000 1.147 194 P CA 1.382 64.569 63.100 0.145 0.000 0.790 194 P CB -0.009 31.785 31.700 0.156 0.000 0.780 195 L N -1.243 120.060 121.223 0.133 0.000 2.592 195 L HA 0.113 4.453 4.340 -0.000 0.000 0.227 195 L C 2.489 179.465 176.870 0.176 0.000 1.127 195 L CA -0.040 54.895 54.840 0.158 0.000 0.884 195 L CB -0.415 41.751 42.059 0.179 0.000 1.065 195 L HN -0.065 nan 8.230 nan 0.000 0.457 196 L N -0.319 120.993 121.223 0.149 0.000 2.093 196 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 196 L C 2.745 179.709 176.870 0.156 0.000 1.085 196 L CA 1.767 56.712 54.840 0.176 0.000 0.755 196 L CB -0.068 42.089 42.059 0.163 0.000 0.904 196 L HN 0.459 nan 8.230 nan 0.000 0.435 197 S N -1.418 114.321 115.700 0.066 0.000 2.402 197 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 197 S C 1.863 176.346 174.600 -0.196 0.000 1.021 197 S CA 0.981 59.132 58.200 -0.082 0.000 0.974 197 S CB -0.724 62.423 63.200 -0.088 0.000 0.800 197 S HN 0.202 nan 8.310 nan 0.000 0.484 198 V N 1.181 121.096 119.914 0.002 0.000 2.255 198 V HA -0.202 3.917 4.120 -0.000 0.000 0.247 198 V C 2.236 178.321 176.094 -0.013 0.000 1.051 198 V CA 2.258 64.591 62.300 0.055 0.000 1.018 198 V CB -1.084 30.789 31.823 0.083 0.000 0.641 198 V HN 0.620 nan 8.190 nan 0.000 0.445 199 Y N 1.236 121.518 120.300 -0.030 0.000 2.114 199 Y HA -0.332 4.217 4.550 -0.000 0.000 0.282 199 Y C 2.388 178.284 175.900 -0.006 0.000 1.165 199 Y CA 2.146 60.257 58.100 0.019 0.000 1.148 199 Y CB -0.496 38.014 38.460 0.085 0.000 0.972 199 Y HN 0.171 nan 8.280 nan 0.000 0.504 200 A N -0.107 122.860 122.820 0.245 0.000 1.902 200 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 200 A C 2.068 179.708 177.584 0.093 0.000 1.181 200 A CA 1.802 53.965 52.037 0.210 0.000 0.623 200 A CB -0.552 18.536 19.000 0.147 0.000 0.818 200 A HN 0.571 nan 8.150 nan 0.000 0.443 201 Q N -0.710 119.071 119.800 -0.033 0.000 2.137 201 Q HA 0.043 4.383 4.340 -0.000 0.000 0.198 201 Q C 2.427 178.530 176.000 0.172 0.000 0.960 201 Q CA 1.373 57.162 55.803 -0.023 0.000 0.847 201 Q CB -0.690 27.828 28.738 -0.367 0.000 0.915 201 Q HN 0.638 nan 8.270 nan 0.000 0.448 202 A N 1.322 124.217 122.820 0.126 0.000 1.877 202 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 202 A C 2.350 179.900 177.584 -0.057 0.000 1.186 202 A CA 1.974 54.044 52.037 0.054 0.000 0.620 202 A CB -0.780 18.029 19.000 -0.319 0.000 0.822 202 A HN 0.345 nan 8.150 nan 0.000 0.443 203 A N 0.297 122.886 122.820 -0.385 0.000 1.883 203 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 203 A C 2.081 179.412 177.584 -0.421 0.000 1.186 203 A CA 1.932 53.526 52.037 -0.738 0.000 0.624 203 A CB -0.948 17.466 19.000 -0.976 0.000 0.822 203 A HN 0.713 nan 8.150 nan 0.000 0.444 204 N N -0.041 118.577 118.700 -0.137 0.000 2.061 204 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 204 N C 1.768 177.315 175.510 0.062 0.000 1.030 204 N CA 1.810 54.915 53.050 0.090 0.000 0.856 204 N CB -0.205 38.513 38.487 0.384 0.000 1.023 204 N HN 0.538 nan 8.380 nan 0.000 0.424 205 L N -0.495 120.770 121.223 0.069 0.000 2.156 205 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 205 L C 2.567 179.363 176.870 -0.123 0.000 1.095 205 L CA 0.779 55.700 54.840 0.134 0.000 0.770 205 L CB -0.766 41.532 42.059 0.398 0.000 0.914 205 L HN 0.387 nan 8.230 nan 0.000 0.439 206 H N 0.438 119.092 119.070 -0.693 0.000 2.326 206 H HA -0.131 4.425 4.556 -0.000 0.000 0.301 206 H C 2.399 177.496 175.328 -0.385 0.000 1.081 206 H CA 1.201 56.646 56.048 -1.004 0.000 1.334 206 H CB 0.300 29.526 29.762 -0.893 0.000 1.385 206 H HN 0.225 nan 8.280 nan 0.000 0.504 207 L N 0.489 121.580 121.223 -0.220 0.000 2.093 207 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 207 L C 2.705 179.547 176.870 -0.047 0.000 1.085 207 L CA 0.598 55.347 54.840 -0.152 0.000 0.755 207 L CB -0.297 41.692 42.059 -0.117 0.000 0.904 207 L HN 0.343 nan 8.230 nan 0.000 0.435 208 L N -0.652 120.513 121.223 -0.097 0.000 2.046 208 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 208 L C 2.597 179.557 176.870 0.149 0.000 1.077 208 L CA 0.890 55.636 54.840 -0.157 0.000 0.747 208 L CB -0.329 41.667 42.059 -0.104 0.000 0.896 208 L HN 0.270 nan 8.230 nan 0.000 0.432 209 L N -0.426 120.902 121.223 0.175 0.000 1.989 209 L HA -0.263 4.077 4.340 -0.000 0.000 0.211 209 L C 2.321 179.295 176.870 0.173 0.000 1.071 209 L CA 1.814 56.739 54.840 0.141 0.000 0.749 209 L CB -0.592 41.349 42.059 -0.197 0.000 0.890 209 L HN 0.078 nan 8.230 nan 0.000 0.431 210 L N 0.236 121.470 121.223 0.019 0.000 2.131 210 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 210 L C 2.597 179.541 176.870 0.123 0.000 1.092 210 L CA 2.060 56.939 54.840 0.065 0.000 0.759 210 L CB -1.334 40.656 42.059 -0.114 0.000 0.903 210 L HN 0.532 nan 8.230 nan 0.000 0.435 211 K N -0.502 119.956 120.400 0.096 0.000 2.127 211 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 211 K C 1.374 177.961 176.600 -0.021 0.000 1.047 211 K CA 1.984 58.312 56.287 0.067 0.000 0.927 211 K CB -0.255 32.280 32.500 0.060 0.000 0.716 211 K HN 0.275 nan 8.250 nan 0.000 0.450 212 D N 0.739 121.194 120.400 0.091 0.000 2.219 212 D HA -0.082 4.557 4.640 -0.000 0.000 0.205 212 D C 1.842 177.902 176.300 -0.400 0.000 0.970 212 D CA 1.261 55.236 54.000 -0.042 0.000 0.851 212 D CB -0.108 41.038 40.800 0.577 0.000 0.943 212 D HN 0.458 nan 8.370 nan 0.000 0.488 213 A N 0.787 123.399 122.820 -0.347 0.000 1.969 213 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 213 A C 2.299 179.704 177.584 -0.298 0.000 1.169 213 A CA 1.872 53.590 52.037 -0.530 0.000 0.635 213 A CB -0.340 18.281 19.000 -0.633 0.000 0.810 213 A HN 0.311 nan 8.150 nan 0.000 0.445 214 S N -0.701 114.877 115.700 -0.203 0.000 2.458 214 S HA 0.106 4.576 4.470 -0.000 0.000 0.223 214 S C 1.753 176.189 174.600 -0.273 0.000 1.019 214 S CA 0.837 58.940 58.200 -0.161 0.000 0.937 214 S CB -0.464 62.704 63.200 -0.053 0.000 0.788 214 S HN 0.465 nan 8.310 nan 0.000 0.511 215 I N -0.341 119.953 120.570 -0.460 0.000 2.339 215 I HA 0.122 4.292 4.170 -0.000 0.000 0.245 215 I C 1.543 177.278 176.117 -0.637 0.000 1.096 215 I CA 1.182 62.097 61.300 -0.641 0.000 1.408 215 I CB -0.147 37.212 38.000 -1.070 0.000 1.092 215 I HN 0.251 nan 8.210 nan 0.000 0.423 216 F N -0.180 119.458 119.950 -0.520 0.000 2.706 216 F HA 0.304 4.831 4.527 -0.000 0.000 0.308 216 F C 2.323 177.446 175.800 -1.129 0.000 1.095 216 F CA -0.000 57.466 58.000 -0.889 0.000 1.244 216 F CB -0.236 37.881 39.000 -1.471 0.000 1.063 216 F HN -0.063 nan 8.300 nan 0.000 0.582 217 G N 0.719 109.151 108.800 -0.613 0.000 2.475 217 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.220 217 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.220 217 G C 1.438 176.335 174.900 -0.005 0.000 1.125 217 G CA 1.244 46.255 45.100 -0.148 0.000 0.755 217 G HN 0.415 nan 8.290 nan 0.000 0.565 218 E N 0.404 120.575 120.200 -0.047 0.000 2.072 218 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 218 E C 2.313 178.934 176.600 0.035 0.000 0.985 218 E CA 1.179 57.590 56.400 0.018 0.000 0.801 218 E CB -0.128 29.577 29.700 0.008 0.000 0.750 218 E HN 0.598 nan 8.360 nan 0.000 0.452 219 E N -0.598 119.617 120.200 0.025 0.000 2.150 219 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 219 E C 1.605 178.301 176.600 0.160 0.000 0.985 219 E CA 0.762 57.243 56.400 0.135 0.000 0.814 219 E CB -0.105 29.768 29.700 0.289 0.000 0.752 219 E HN 0.486 nan 8.360 nan 0.000 0.466 220 W N -0.015 121.175 121.300 -0.183 0.000 2.518 220 W HA 0.149 4.808 4.660 -0.000 0.000 0.273 220 W C 1.525 177.851 176.519 -0.322 0.000 1.247 220 W CA 1.200 58.316 57.345 -0.382 0.000 1.288 220 W CB -0.288 28.813 29.460 -0.599 0.000 1.107 220 W HN 0.215 nan 8.180 nan 0.000 0.586 221 G N -1.289 107.519 108.800 0.013 0.000 2.138 221 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.193 221 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.193 221 G C 0.008 174.915 174.900 0.011 0.000 0.998 221 G CA -0.775 44.322 45.100 -0.005 0.000 0.668 221 G HN 0.096 nan 8.290 nan 0.000 0.516 222 F N 2.372 122.387 119.950 0.109 0.000 2.506 222 F HA 0.398 4.925 4.527 -0.000 0.000 0.351 222 F C 1.711 177.545 175.800 0.056 0.000 1.136 222 F CA 0.242 58.302 58.000 0.099 0.000 1.298 222 F CB 0.790 39.868 39.000 0.131 0.000 1.145 222 F HN 0.300 nan 8.300 nan 0.000 0.593 223 S N 1.278 117.135 115.700 0.261 0.000 2.584 223 S HA 0.032 4.502 4.470 -0.000 0.000 0.270 223 S C 1.061 175.720 174.600 0.097 0.000 1.346 223 S CA -0.464 57.815 58.200 0.131 0.000 1.018 223 S CB 1.277 64.528 63.200 0.086 0.000 0.899 223 S HN 0.717 nan 8.310 nan 0.000 0.542 224 T N 2.346 116.933 114.554 0.056 0.000 2.653 224 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 224 T C 1.874 176.579 174.700 0.008 0.000 1.035 224 T CA 2.358 64.476 62.100 0.029 0.000 1.154 224 T CB -1.049 67.828 68.868 0.016 0.000 0.862 224 T HN 0.832 nan 8.240 nan 0.000 0.441 225 T N 1.750 116.303 114.554 -0.001 0.000 2.684 225 T HA -0.058 4.291 4.350 -0.000 0.000 0.267 225 T C 2.348 177.000 174.700 -0.080 0.000 1.036 225 T CA 1.253 63.335 62.100 -0.030 0.000 1.148 225 T CB -0.566 68.287 68.868 -0.026 0.000 0.863 225 T HN 0.457 nan 8.240 nan 0.000 0.436 226 A N 0.980 123.742 122.820 -0.097 0.000 1.902 226 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 226 A C 2.279 179.694 177.584 -0.282 0.000 1.181 226 A CA 1.220 53.098 52.037 -0.264 0.000 0.623 226 A CB -0.762 18.128 19.000 -0.184 0.000 0.818 226 A HN 0.532 nan 8.150 nan 0.000 0.443 227 I N -0.174 120.359 120.570 -0.062 0.000 2.179 227 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 227 I C 2.227 178.371 176.117 0.045 0.000 1.088 227 I CA 1.698 63.017 61.300 0.031 0.000 1.357 227 I CB -0.552 37.471 38.000 0.038 0.000 1.051 227 I HN 0.341 nan 8.210 nan 0.000 0.409 228 N N 0.962 119.666 118.700 0.007 0.000 2.120 228 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 228 N C 1.556 177.090 175.510 0.041 0.000 1.024 228 N CA 1.341 54.417 53.050 0.044 0.000 0.852 228 N CB -0.195 38.301 38.487 0.016 0.000 1.003 228 N HN 0.311 nan 8.380 nan 0.000 0.424 229 N N -0.229 118.427 118.700 -0.073 0.000 2.188 229 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 229 N C 1.244 176.693 175.510 -0.101 0.000 1.018 229 N CA 0.897 53.872 53.050 -0.124 0.000 0.858 229 N CB -0.471 37.879 38.487 -0.228 0.000 0.989 229 N HN 0.344 nan 8.380 nan 0.000 0.426 230 Y N 0.362 120.641 120.300 -0.036 0.000 2.128 230 Y HA -0.200 4.350 4.550 -0.000 0.000 0.284 230 Y C 2.432 178.338 175.900 0.010 0.000 1.154 230 Y CA 0.859 58.944 58.100 -0.025 0.000 1.149 230 Y CB -1.037 37.386 38.460 -0.062 0.000 0.976 230 Y HN 0.155 nan 8.280 nan 0.000 0.505 231 Y N 0.789 121.147 120.300 0.098 0.000 2.200 231 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 231 Y C 2.109 178.018 175.900 0.014 0.000 1.137 231 Y CA 1.539 59.663 58.100 0.039 0.000 1.163 231 Y CB -0.358 38.114 38.460 0.019 0.000 0.988 231 Y HN 0.028 nan 8.280 nan 0.000 0.518 232 N N 0.536 119.250 118.700 0.023 0.000 2.120 232 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 232 N C 1.925 177.357 175.510 -0.131 0.000 1.024 232 N CA 1.582 54.592 53.050 -0.066 0.000 0.852 232 N CB -0.501 37.994 38.487 0.012 0.000 1.003 232 N HN 0.372 nan 8.380 nan 0.000 0.424 233 R N 0.965 121.413 120.500 -0.087 0.000 2.096 233 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 233 R C 2.157 178.343 176.300 -0.190 0.000 1.127 233 R CA 1.175 57.212 56.100 -0.105 0.000 0.968 233 R CB -0.081 30.195 30.300 -0.040 0.000 0.861 233 R HN 0.321 nan 8.270 nan 0.000 0.440 234 Q N 0.182 119.859 119.800 -0.205 0.000 2.002 234 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 234 Q C 2.126 177.933 176.000 -0.321 0.000 0.988 234 Q CA 2.151 57.791 55.803 -0.272 0.000 0.843 234 Q CB -0.094 28.518 28.738 -0.210 0.000 0.908 234 Q HN 0.418 nan 8.270 nan 0.000 0.420 235 M N -0.327 119.032 119.600 -0.401 0.000 2.082 235 M HA -0.212 4.268 4.480 -0.000 0.000 0.258 235 M C 2.478 178.660 176.300 -0.196 0.000 1.069 235 M CA 1.737 56.860 55.300 -0.296 0.000 1.102 235 M CB -0.322 32.085 32.600 -0.322 0.000 1.336 235 M HN 0.221 nan 8.290 nan 0.000 0.404 236 S N 0.201 115.786 115.700 -0.192 0.000 2.419 236 S HA -0.074 4.396 4.470 -0.000 0.000 0.233 236 S C 1.626 176.082 174.600 -0.240 0.000 1.016 236 S CA 0.981 59.089 58.200 -0.153 0.000 0.974 236 S CB -0.164 62.963 63.200 -0.122 0.000 0.786 236 S HN 0.421 nan 8.310 nan 0.000 0.492 237 L N 0.384 121.381 121.223 -0.377 0.000 2.307 237 L HA 0.179 4.519 4.340 -0.000 0.000 0.211 237 L C 2.150 178.626 176.870 -0.656 0.000 1.099 237 L CA 0.411 54.831 54.840 -0.700 0.000 0.816 237 L CB -0.351 41.163 42.059 -0.908 0.000 0.952 237 L HN 0.290 nan 8.230 nan 0.000 0.455 238 I N 0.390 120.706 120.570 -0.423 0.000 2.208 238 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 238 I C 2.807 178.646 176.117 -0.464 0.000 1.097 238 I CA 1.388 62.462 61.300 -0.377 0.000 1.363 238 I CB -0.394 37.387 38.000 -0.365 0.000 1.051 238 I HN 0.229 nan 8.210 nan 0.000 0.413 239 A N -0.075 122.491 122.820 -0.424 0.000 1.877 239 A HA -0.283 4.037 4.320 -0.000 0.000 0.216 239 A C 2.327 179.936 177.584 0.041 0.000 1.186 239 A CA 1.860 53.797 52.037 -0.166 0.000 0.620 239 A CB -0.757 18.305 19.000 0.104 0.000 0.822 239 A HN 0.510 nan 8.150 nan 0.000 0.443 240 Q N -1.347 118.437 119.800 -0.026 0.000 2.050 240 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 240 Q C 1.959 178.161 176.000 0.337 0.000 0.980 240 Q CA 1.876 57.739 55.803 0.100 0.000 0.840 240 Q CB -0.289 28.431 28.738 -0.031 0.000 0.898 240 Q HN 0.839 nan 8.270 nan 0.000 0.424 241 Y N -0.125 120.316 120.300 0.235 0.000 2.242 241 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 241 Y C 2.776 178.968 175.900 0.486 0.000 1.137 241 Y CA 0.512 58.852 58.100 0.400 0.000 1.181 241 Y CB 0.157 38.706 38.460 0.147 0.000 0.989 241 Y HN 0.187 nan 8.280 nan 0.000 0.527 242 S N 0.005 116.005 115.700 0.501 0.000 2.368 242 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 242 S C 1.353 176.195 174.600 0.404 0.000 1.029 242 S CA 1.408 59.858 58.200 0.417 0.000 0.988 242 S CB -0.319 63.081 63.200 0.333 0.000 0.838 242 S HN 0.441 nan 8.310 nan 0.000 0.462 243 D N 0.357 121.030 120.400 0.455 0.000 2.144 243 D HA -0.108 4.531 4.640 -0.000 0.000 0.199 243 D C 1.717 178.204 176.300 0.312 0.000 0.984 243 D CA 1.183 55.433 54.000 0.416 0.000 0.834 243 D CB -0.465 40.547 40.800 0.354 0.000 0.955 243 D HN 0.554 nan 8.370 nan 0.000 0.465 244 H N -0.149 119.097 119.070 0.294 0.000 2.293 244 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 244 H C 2.138 177.602 175.328 0.226 0.000 1.082 244 H CA 2.055 58.258 56.048 0.258 0.000 1.308 244 H CB -0.195 29.650 29.762 0.139 0.000 1.375 244 H HN 0.055 nan 8.280 nan 0.000 0.495 245 C N -0.397 119.128 119.300 0.375 0.000 2.388 245 C HA -0.187 4.273 4.460 -0.000 0.000 0.277 245 C C 2.919 177.975 174.990 0.110 0.000 1.210 245 C CA 1.188 60.356 59.018 0.250 0.000 1.743 245 C CB -1.022 26.849 27.740 0.218 0.000 2.047 245 C HN 0.500 nan 8.230 nan 0.000 0.458 246 V N 0.617 120.517 119.914 -0.023 0.000 2.255 246 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 246 V C 2.532 178.624 176.094 -0.003 0.000 1.051 246 V CA 2.409 64.630 62.300 -0.132 0.000 1.018 246 V CB -1.012 30.526 31.823 -0.475 0.000 0.641 246 V HN 0.658 nan 8.190 nan 0.000 0.445 247 Q N -1.299 118.475 119.800 -0.044 0.000 2.112 247 Q HA -0.272 4.067 4.340 -0.000 0.000 0.206 247 Q C 2.046 177.836 176.000 -0.350 0.000 0.987 247 Q CA 2.587 58.257 55.803 -0.221 0.000 0.858 247 Q CB -0.200 28.322 28.738 -0.360 0.000 0.905 247 Q HN 0.768 nan 8.270 nan 0.000 0.420 248 W N -0.950 120.276 121.300 -0.123 0.000 2.737 248 W HA -0.012 4.647 4.660 -0.000 0.000 0.262 248 W C 1.941 178.473 176.519 0.023 0.000 1.282 248 W CA 0.228 57.504 57.345 -0.115 0.000 1.386 248 W CB -0.171 29.131 29.460 -0.263 0.000 1.099 248 W HN 0.302 nan 8.180 nan 0.000 0.621 249 Y N 1.526 121.903 120.300 0.127 0.000 2.145 249 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 249 Y C 2.374 178.331 175.900 0.095 0.000 1.145 249 Y CA 1.932 60.107 58.100 0.125 0.000 1.148 249 Y CB -0.406 38.017 38.460 -0.063 0.000 0.981 249 Y HN -0.221 nan 8.280 nan 0.000 0.507 250 R N -0.619 119.960 120.500 0.132 0.000 2.096 250 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 250 R C 2.170 178.417 176.300 -0.089 0.000 1.127 250 R CA 1.901 58.032 56.100 0.052 0.000 0.968 250 R CB -0.577 29.809 30.300 0.143 0.000 0.861 250 R HN 0.328 nan 8.270 nan 0.000 0.440 251 T N -0.217 114.265 114.554 -0.119 0.000 2.732 251 T HA -0.070 4.280 4.350 -0.000 0.000 0.261 251 T C 1.935 176.560 174.700 -0.124 0.000 1.040 251 T CA 1.383 63.396 62.100 -0.146 0.000 1.145 251 T CB -0.549 68.158 68.868 -0.269 0.000 0.866 251 T HN 0.512 nan 8.240 nan 0.000 0.427 252 G N 1.689 110.439 108.800 -0.084 0.000 2.476 252 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.218 252 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.218 252 G C 1.533 175.895 174.900 -0.898 0.000 1.164 252 G CA 0.966 45.871 45.100 -0.324 0.000 0.768 252 G HN 0.375 nan 8.290 nan 0.000 0.560 253 L N 1.016 121.702 121.223 -0.896 0.000 1.994 253 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 253 L C 2.325 179.025 176.870 -0.282 0.000 1.071 253 L CA 2.659 57.012 54.840 -0.813 0.000 0.745 253 L CB -0.785 40.906 42.059 -0.614 0.000 0.892 253 L HN 0.307 nan 8.230 nan 0.000 0.431 254 D N -0.887 119.433 120.400 -0.134 0.000 2.182 254 D HA -0.208 4.431 4.640 -0.000 0.000 0.201 254 D C 2.163 178.429 176.300 -0.058 0.000 0.986 254 D CA 1.157 55.156 54.000 -0.003 0.000 0.847 254 D CB 0.013 40.800 40.800 -0.021 0.000 0.942 254 D HN 0.288 nan 8.370 nan 0.000 0.467 255 R N -0.676 119.745 120.500 -0.133 0.000 2.280 255 R HA 0.084 4.423 4.340 -0.000 0.000 0.207 255 R C 1.508 177.740 176.300 -0.112 0.000 1.043 255 R CA 0.351 56.380 56.100 -0.119 0.000 1.006 255 R CB 0.031 30.263 30.300 -0.114 0.000 0.885 255 R HN 0.306 nan 8.270 nan 0.000 0.467 256 L N 0.272 121.434 121.223 -0.100 0.000 2.607 256 L HA 0.106 4.446 4.340 -0.000 0.000 0.228 256 L C 0.278 177.200 176.870 0.088 0.000 1.123 256 L CA 0.045 54.883 54.840 -0.005 0.000 0.890 256 L CB 0.136 42.169 42.059 -0.042 0.000 1.103 256 L HN -0.042 nan 8.230 nan 0.000 0.468 257 K N 0.652 121.021 120.400 -0.051 0.000 2.401 257 K HA 0.334 4.654 4.320 -0.000 0.000 0.278 257 K C 0.370 176.674 176.600 -0.494 0.000 1.018 257 K CA 0.183 56.179 56.287 -0.485 0.000 0.981 257 K CB 1.023 33.206 32.500 -0.528 0.000 0.933 257 K HN 0.143 nan 8.250 nan 0.000 0.477 258 G N -0.383 107.946 108.800 -0.785 0.000 2.947 258 G HA2 0.213 4.173 3.960 -0.000 0.000 0.293 258 G HA3 0.213 4.173 3.960 -0.000 0.000 0.293 258 G C -0.009 174.607 174.900 -0.474 0.000 1.243 258 G CA -0.169 44.688 45.100 -0.405 0.000 0.802 258 G HN 0.523 nan 8.290 nan 0.000 0.560 259 S N -1.377 114.237 115.700 -0.142 0.000 2.593 259 S HA 0.169 4.638 4.470 -0.000 0.000 0.235 259 S C 0.528 175.185 174.600 0.095 0.000 1.059 259 S CA 0.620 58.789 58.200 -0.052 0.000 0.953 259 S CB -0.166 62.992 63.200 -0.070 0.000 0.897 259 S HN 0.850 nan 8.310 nan 0.000 0.507 260 N N 1.056 119.815 118.700 0.098 0.000 2.518 260 N HA 0.723 5.463 4.740 -0.000 0.000 0.284 260 N C 0.917 176.490 175.510 0.104 0.000 1.230 260 N CA -0.277 52.814 53.050 0.068 0.000 0.941 260 N CB 0.766 39.245 38.487 -0.013 0.000 1.219 260 N HN 0.044 nan 8.380 nan 0.000 0.560 261 A N -0.125 122.691 122.820 -0.007 0.000 1.969 261 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 261 A C 1.959 179.442 177.584 -0.169 0.000 1.169 261 A CA 1.506 53.528 52.037 -0.024 0.000 0.635 261 A CB -0.826 18.105 19.000 -0.115 0.000 0.810 261 A HN 0.834 nan 8.150 nan 0.000 0.445 262 K N -0.231 119.859 120.400 -0.516 0.000 2.057 262 K HA -0.220 4.100 4.320 -0.000 0.000 0.207 262 K C 2.102 178.513 176.600 -0.317 0.000 1.049 262 K CA 1.798 57.534 56.287 -0.917 0.000 0.931 262 K CB -0.244 31.613 32.500 -1.071 0.000 0.714 262 K HN 0.573 nan 8.250 nan 0.000 0.440 263 Q N -0.859 118.884 119.800 -0.094 0.000 2.170 263 Q HA -0.200 4.139 4.340 -0.000 0.000 0.203 263 Q C 1.651 177.798 176.000 0.245 0.000 0.976 263 Q CA 1.762 57.621 55.803 0.093 0.000 0.858 263 Q CB -0.180 28.646 28.738 0.147 0.000 0.907 263 Q HN 0.508 nan 8.270 nan 0.000 0.433 264 W N -0.006 121.332 121.300 0.064 0.000 2.409 264 W HA -0.159 4.501 4.660 -0.000 0.000 0.299 264 W C 1.787 178.334 176.519 0.046 0.000 1.203 264 W CA 1.038 58.299 57.345 -0.139 0.000 1.298 264 W CB -0.146 29.099 29.460 -0.357 0.000 1.127 264 W HN -0.174 nan 8.180 nan 0.000 0.528 265 V N 1.166 121.223 119.914 0.238 0.000 2.282 265 V HA -0.379 3.741 4.120 -0.000 0.000 0.249 265 V C 2.081 178.154 176.094 -0.036 0.000 1.057 265 V CA 2.542 64.924 62.300 0.138 0.000 1.032 265 V CB -1.064 30.898 31.823 0.232 0.000 0.645 265 V HN 0.225 nan 8.190 nan 0.000 0.447 266 E N -1.215 118.980 120.200 -0.008 0.000 2.051 266 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 266 E C 2.084 178.697 176.600 0.022 0.000 0.991 266 E CA 1.778 58.187 56.400 0.014 0.000 0.799 266 E CB -0.324 29.392 29.700 0.027 0.000 0.748 266 E HN 0.761 nan 8.360 nan 0.000 0.449 267 Y N 1.777 121.994 120.300 -0.138 0.000 2.097 267 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 267 Y C 2.192 177.944 175.900 -0.248 0.000 1.152 267 Y CA 2.071 60.076 58.100 -0.160 0.000 1.136 267 Y CB -0.220 38.186 38.460 -0.091 0.000 0.975 267 Y HN -0.012 nan 8.280 nan 0.000 0.498 268 N N 0.093 118.522 118.700 -0.453 0.000 2.223 268 N HA -0.201 4.538 4.740 -0.000 0.000 0.185 268 N C 2.022 177.392 175.510 -0.235 0.000 1.016 268 N CA 1.290 54.019 53.050 -0.534 0.000 0.863 268 N CB -0.281 37.589 38.487 -1.028 0.000 0.983 268 N HN 0.384 nan 8.380 nan 0.000 0.429 269 R N -0.975 119.439 120.500 -0.143 0.000 2.062 269 R HA -0.087 4.253 4.340 -0.000 0.000 0.229 269 R C 2.015 178.305 176.300 -0.017 0.000 1.128 269 R CA 1.233 57.303 56.100 -0.050 0.000 0.960 269 R CB -0.546 29.748 30.300 -0.011 0.000 0.855 269 R HN 0.295 nan 8.270 nan 0.000 0.432 270 F N 1.590 121.449 119.950 -0.151 0.000 2.065 270 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 270 F C 2.611 178.317 175.800 -0.157 0.000 1.112 270 F CA 1.929 59.834 58.000 -0.157 0.000 1.212 270 F CB -0.198 38.673 39.000 -0.216 0.000 0.975 270 F HN -0.028 nan 8.300 nan 0.000 0.476 271 R N 0.330 120.863 120.500 0.055 0.000 2.094 271 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 271 R C 2.604 178.946 176.300 0.071 0.000 1.137 271 R CA 2.129 58.268 56.100 0.066 0.000 0.943 271 R CB -0.523 29.735 30.300 -0.069 0.000 0.850 271 R HN 0.328 nan 8.270 nan 0.000 0.433 272 R N 0.605 121.111 120.500 0.011 0.000 2.070 272 R HA -0.139 4.200 4.340 -0.000 0.000 0.233 272 R C 1.998 178.273 176.300 -0.042 0.000 1.137 272 R CA 1.969 58.075 56.100 0.010 0.000 0.945 272 R CB -0.169 30.128 30.300 -0.005 0.000 0.845 272 R HN 0.354 nan 8.270 nan 0.000 0.430 273 E N -0.217 119.929 120.200 -0.091 0.000 2.110 273 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 273 E C 1.920 178.431 176.600 -0.149 0.000 0.988 273 E CA 1.151 57.481 56.400 -0.118 0.000 0.804 273 E CB 0.022 29.645 29.700 -0.129 0.000 0.745 273 E HN 0.382 nan 8.360 nan 0.000 0.458 274 M N 0.083 119.544 119.600 -0.233 0.000 2.506 274 M HA 0.005 4.485 4.480 -0.000 0.000 0.260 274 M C 2.029 178.292 176.300 -0.060 0.000 1.104 274 M CA 0.931 56.107 55.300 -0.208 0.000 1.112 274 M CB -0.711 31.581 32.600 -0.514 0.000 1.401 274 M HN -0.017 nan 8.290 nan 0.000 0.473 275 T N 1.632 116.169 114.554 -0.028 0.000 2.737 275 T HA -0.024 4.326 4.350 -0.000 0.000 0.265 275 T C 2.043 176.687 174.700 -0.092 0.000 1.038 275 T CA 1.099 63.133 62.100 -0.110 0.000 1.144 275 T CB -0.229 68.621 68.868 -0.031 0.000 0.866 275 T HN 0.311 nan 8.240 nan 0.000 0.434 276 L N 0.677 121.871 121.223 -0.050 0.000 2.141 276 L HA -0.024 4.315 4.340 -0.000 0.000 0.209 276 L C 2.558 179.399 176.870 -0.049 0.000 1.094 276 L CA 0.956 55.782 54.840 -0.024 0.000 0.763 276 L CB -0.329 41.729 42.059 -0.003 0.000 0.908 276 L HN 0.204 nan 8.230 nan 0.000 0.437 277 S N -1.810 113.847 115.700 -0.071 0.000 2.492 277 S HA 0.085 4.555 4.470 -0.000 0.000 0.218 277 S C 1.587 176.117 174.600 -0.116 0.000 1.016 277 S CA 0.133 58.285 58.200 -0.079 0.000 0.916 277 S CB 0.778 63.947 63.200 -0.051 0.000 0.791 277 S HN 0.111 nan 8.310 nan 0.000 0.513 278 V N 0.876 120.721 119.914 -0.114 0.000 3.054 278 V HA 0.224 4.344 4.120 -0.000 0.000 0.227 278 V C 1.787 177.770 176.094 -0.185 0.000 1.252 278 V CA 0.261 62.502 62.300 -0.098 0.000 1.279 278 V CB -0.498 31.318 31.823 -0.012 0.000 1.118 278 V HN 0.273 nan 8.190 nan 0.000 0.504 279 L N 0.335 121.404 121.223 -0.257 0.000 2.093 279 L HA -0.137 4.202 4.340 -0.000 0.000 0.208 279 L C 2.203 178.897 176.870 -0.294 0.000 1.085 279 L CA 1.628 56.267 54.840 -0.334 0.000 0.755 279 L CB -0.657 41.130 42.059 -0.453 0.000 0.904 279 L HN 0.363 nan 8.230 nan 0.000 0.435 280 D N 0.199 120.457 120.400 -0.237 0.000 2.117 280 D HA -0.151 4.488 4.640 -0.000 0.000 0.198 280 D C 2.146 178.290 176.300 -0.261 0.000 0.982 280 D CA 1.110 54.973 54.000 -0.227 0.000 0.828 280 D CB 0.038 40.734 40.800 -0.174 0.000 0.967 280 D HN 0.249 nan 8.370 nan 0.000 0.464 281 I N 0.364 120.782 120.570 -0.254 0.000 2.286 281 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 281 I C 2.187 177.891 176.117 -0.688 0.000 1.104 281 I CA 0.728 61.860 61.300 -0.280 0.000 1.397 281 I CB -0.010 37.920 38.000 -0.116 0.000 1.072 281 I HN -0.035 nan 8.210 nan 0.000 0.417 282 M N 0.249 119.307 119.600 -0.904 0.000 2.144 282 M HA -0.243 4.237 4.480 -0.000 0.000 0.260 282 M C 2.063 177.797 176.300 -0.944 0.000 1.067 282 M CA 2.260 56.666 55.300 -1.490 0.000 1.095 282 M CB -0.997 31.194 32.600 -0.682 0.000 1.365 282 M HN 0.206 nan 8.290 nan 0.000 0.406 283 T N 1.556 115.799 114.554 -0.518 0.000 2.929 283 T HA -0.063 4.286 4.350 -0.000 0.000 0.271 283 T C 1.765 176.288 174.700 -0.295 0.000 1.085 283 T CA 0.996 62.907 62.100 -0.315 0.000 1.125 283 T CB -0.240 68.480 68.868 -0.248 0.000 0.874 283 T HN 0.464 nan 8.240 nan 0.000 0.494 284 L N -0.470 120.529 121.223 -0.374 0.000 2.418 284 L HA 0.201 4.541 4.340 -0.000 0.000 0.218 284 L C 1.974 178.558 176.870 -0.478 0.000 1.125 284 L CA 0.432 55.074 54.840 -0.329 0.000 0.835 284 L CB -0.588 41.348 42.059 -0.204 0.000 0.953 284 L HN 0.307 nan 8.230 nan 0.000 0.454 285 F N 1.328 120.964 119.950 -0.523 0.000 2.091 285 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 285 F C -0.031 175.499 175.800 -0.450 0.000 1.103 285 F CA 0.759 58.383 58.000 -0.626 0.000 1.228 285 F CB -1.600 37.241 39.000 -0.264 0.000 0.984 285 F HN 0.192 nan 8.300 nan 0.000 0.477 286 P HA -0.162 nan 4.420 nan 0.000 0.222 286 P C 1.153 178.522 177.300 0.116 0.000 1.147 286 P CA 1.321 64.520 63.100 0.166 0.000 0.790 286 P CB -0.109 31.768 31.700 0.295 0.000 0.780 287 M N -2.820 116.658 119.600 -0.203 0.000 2.618 287 M HA 0.025 4.505 4.480 -0.000 0.000 0.240 287 M C 1.177 177.550 176.300 0.122 0.000 1.123 287 M CA 0.914 56.012 55.300 -0.336 0.000 1.060 287 M CB -0.953 31.325 32.600 -0.536 0.000 1.535 287 M HN 0.029 nan 8.290 nan 0.000 0.507 288 Y N -1.255 119.097 120.300 0.086 0.000 2.529 288 Y HA 0.015 4.565 4.550 -0.000 0.000 0.290 288 Y C 0.766 176.743 175.900 0.129 0.000 1.177 288 Y CA -0.681 57.473 58.100 0.090 0.000 1.305 288 Y CB -0.029 38.468 38.460 0.062 0.000 1.047 288 Y HN 0.073 nan 8.280 nan 0.000 0.522 289 D N 1.636 122.239 120.400 0.338 0.000 2.374 289 D HA 0.038 4.678 4.640 -0.000 0.000 0.240 289 D C 1.047 177.547 176.300 0.333 0.000 1.229 289 D CA -0.314 53.898 54.000 0.353 0.000 0.895 289 D CB 0.866 41.888 40.800 0.370 0.000 1.046 289 D HN 0.263 nan 8.370 nan 0.000 0.498 290 M N 3.595 123.339 119.600 0.241 0.000 2.229 290 M HA -0.005 4.474 4.480 -0.000 0.000 0.264 290 M C 1.833 178.179 176.300 0.077 0.000 1.063 290 M CA 1.144 56.522 55.300 0.131 0.000 1.114 290 M CB -0.265 32.350 32.600 0.025 0.000 1.387 290 M HN 0.208 nan 8.290 nan 0.000 0.420 291 R N 0.381 120.914 120.500 0.055 0.000 2.070 291 R HA -0.111 4.229 4.340 -0.000 0.000 0.233 291 R C 1.761 178.053 176.300 -0.013 0.000 1.137 291 R CA 2.351 58.435 56.100 -0.027 0.000 0.945 291 R CB -0.798 29.433 30.300 -0.115 0.000 0.845 291 R HN 0.561 nan 8.270 nan 0.000 0.430 292 T N -0.546 114.029 114.554 0.036 0.000 2.867 292 T HA -0.116 4.233 4.350 -0.000 0.000 0.268 292 T C 0.051 174.498 174.700 -0.422 0.000 1.057 292 T CA 1.170 63.164 62.100 -0.177 0.000 1.136 292 T CB -0.120 68.690 68.868 -0.097 0.000 0.874 292 T HN 0.248 nan 8.240 nan 0.000 0.466 293 Y N 0.972 121.301 120.300 0.048 0.000 2.863 293 Y HA 0.320 4.870 4.550 -0.000 0.000 0.348 293 Y C -2.090 173.830 175.900 0.033 0.000 1.028 293 Y CA -2.542 55.583 58.100 0.041 0.000 1.213 293 Y CB 1.501 40.008 38.460 0.079 0.000 1.120 293 Y HN 0.078 nan 8.280 nan 0.000 0.598 294 P HA 0.010 nan 4.420 nan 0.000 0.245 294 P C -0.012 177.321 177.300 0.054 0.000 1.203 294 P CA 0.816 63.943 63.100 0.046 0.000 0.792 294 P CB 0.443 32.141 31.700 -0.004 0.000 0.997 295 M N -2.589 117.058 119.600 0.078 0.000 2.704 295 M HA 0.542 5.022 4.480 -0.000 0.000 0.284 295 M C -0.394 175.960 176.300 0.091 0.000 1.275 295 M CA -1.346 53.995 55.300 0.068 0.000 0.811 295 M CB 1.817 34.445 32.600 0.047 0.000 1.741 295 M HN -0.354 nan 8.290 nan 0.000 0.458 296 E N 0.961 121.197 120.200 0.060 0.000 2.502 296 E HA 0.208 4.558 4.350 -0.000 0.000 0.261 296 E C -1.292 175.341 176.600 0.056 0.000 0.974 296 E CA 0.509 56.935 56.400 0.044 0.000 0.936 296 E CB 0.608 30.315 29.700 0.011 0.000 0.926 296 E HN 0.652 nan 8.360 nan 0.000 0.459 297 T N 4.673 119.252 114.554 0.042 0.000 2.893 297 T HA 0.344 4.694 4.350 -0.000 0.000 0.293 297 T C -1.062 173.632 174.700 -0.010 0.000 1.027 297 T CA -1.119 61.015 62.100 0.056 0.000 0.988 297 T CB 1.376 70.296 68.868 0.087 0.000 1.043 297 T HN 0.289 nan 8.240 nan 0.000 0.461 298 K N 2.039 122.437 120.400 -0.003 0.000 2.334 298 K HA 0.695 5.015 4.320 -0.000 0.000 0.265 298 K C -0.121 176.492 176.600 0.021 0.000 1.039 298 K CA -0.431 55.839 56.287 -0.028 0.000 0.920 298 K CB 1.361 33.822 32.500 -0.066 0.000 1.160 298 K HN 0.753 nan 8.250 nan 0.000 0.451 299 A N 2.809 125.622 122.820 -0.012 0.000 2.257 299 A HA 0.496 4.816 4.320 -0.000 0.000 0.289 299 A C -0.478 177.098 177.584 -0.014 0.000 1.095 299 A CA -0.357 51.668 52.037 -0.021 0.000 0.836 299 A CB 0.681 19.637 19.000 -0.072 0.000 1.111 299 A HN 0.643 nan 8.150 nan 0.000 0.497 300 Q N -0.013 119.766 119.800 -0.034 0.000 2.263 300 Q HA 0.548 4.888 4.340 -0.000 0.000 0.266 300 Q C -1.961 173.985 176.000 -0.090 0.000 1.002 300 Q CA -0.193 55.583 55.803 -0.046 0.000 0.790 300 Q CB 1.508 30.214 28.738 -0.053 0.000 1.272 300 Q HN 0.688 nan 8.270 nan 0.000 0.435 301 L N 3.088 124.255 121.223 -0.095 0.000 2.265 301 L HA 0.430 4.769 4.340 -0.000 0.000 0.289 301 L C 1.041 177.886 176.870 -0.043 0.000 1.033 301 L CA -0.297 54.475 54.840 -0.113 0.000 0.814 301 L CB 1.310 43.226 42.059 -0.237 0.000 1.203 301 L HN 0.827 nan 8.230 nan 0.000 0.423 302 T N -1.761 112.762 114.554 -0.051 0.000 3.040 302 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 302 T C 0.916 175.733 174.700 0.195 0.000 1.058 302 T CA -0.538 61.564 62.100 0.003 0.000 0.988 302 T CB 0.043 68.808 68.868 -0.172 0.000 0.993 302 T HN 0.495 nan 8.240 nan 0.000 0.519 303 R N 2.311 122.879 120.500 0.114 0.000 2.640 303 R HA 0.166 4.506 4.340 -0.000 0.000 0.270 303 R C -0.835 175.583 176.300 0.197 0.000 1.024 303 R CA 0.315 56.493 56.100 0.131 0.000 1.085 303 R CB 0.032 30.384 30.300 0.087 0.000 0.963 303 R HN 0.442 nan 8.270 nan 0.000 0.426 304 E N 1.475 121.782 120.200 0.178 0.000 2.313 304 E HA 0.318 4.667 4.350 -0.000 0.000 0.272 304 E C -0.244 176.445 176.600 0.147 0.000 1.038 304 E CA -0.904 55.575 56.400 0.132 0.000 0.863 304 E CB 1.737 31.458 29.700 0.035 0.000 1.060 304 E HN 0.587 nan 8.360 nan 0.000 0.402 305 V N -0.059 119.917 119.914 0.103 0.000 2.864 305 V HA 0.519 4.638 4.120 -0.000 0.000 0.314 305 V C -1.294 174.833 176.094 0.054 0.000 1.073 305 V CA -0.932 61.456 62.300 0.146 0.000 0.956 305 V CB 0.933 32.813 31.823 0.094 0.000 1.023 305 V HN 0.501 nan 8.190 nan 0.000 0.435 306 Y N 1.392 121.808 120.300 0.193 0.000 2.335 306 Y HA 0.654 5.204 4.550 -0.000 0.000 0.338 306 Y C 1.122 177.097 175.900 0.125 0.000 0.977 306 Y CA -0.485 57.749 58.100 0.224 0.000 1.114 306 Y CB 1.807 40.394 38.460 0.212 0.000 1.182 306 Y HN 0.960 nan 8.280 nan 0.000 0.463 307 T N -1.148 113.571 114.554 0.276 0.000 2.788 307 T HA 0.182 4.532 4.350 -0.000 0.000 0.287 307 T C -0.219 174.522 174.700 0.070 0.000 1.007 307 T CA -1.020 61.144 62.100 0.107 0.000 1.005 307 T CB 0.624 69.556 68.868 0.108 0.000 1.012 307 T HN 0.351 nan 8.240 nan 0.000 0.530 308 D N 2.415 122.822 120.400 0.011 0.000 2.423 308 D HA 0.240 4.880 4.640 -0.000 0.000 0.238 308 D C -2.161 174.078 176.300 -0.100 0.000 1.142 308 D CA -1.104 52.909 54.000 0.021 0.000 0.884 308 D CB -0.079 40.752 40.800 0.051 0.000 1.199 308 D HN 0.350 nan 8.370 nan 0.000 0.438 309 P HA 0.036 nan 4.420 nan 0.000 0.265 309 P C -0.165 176.844 177.300 -0.484 0.000 1.187 309 P CA 0.176 62.976 63.100 -0.500 0.000 0.766 309 P CB 0.336 31.655 31.700 -0.635 0.000 0.820 310 I N 2.517 122.715 120.570 -0.619 0.000 2.243 310 I HA 0.391 4.561 4.170 -0.000 0.000 0.297 310 I C 1.040 176.868 176.117 -0.481 0.000 1.161 310 I CA 0.442 61.449 61.300 -0.488 0.000 1.298 310 I CB -0.284 37.383 38.000 -0.555 0.000 1.475 310 I HN 0.326 nan 8.210 nan 0.000 0.561 311 G N 3.724 112.281 108.800 -0.404 0.000 2.706 311 G HA2 0.682 4.642 3.960 -0.000 0.000 0.297 311 G HA3 0.682 4.642 3.960 -0.000 0.000 0.297 311 G C -1.031 173.931 174.900 0.103 0.000 1.403 311 G CA -0.713 44.190 45.100 -0.328 0.000 0.954 311 G HN 0.558 nan 8.290 nan 0.000 0.500 312 A N 0.685 123.640 122.820 0.225 0.000 2.477 312 A HA 0.668 4.988 4.320 -0.000 0.000 0.246 312 A C -0.216 177.496 177.584 0.214 0.000 1.078 312 A CA 0.146 52.323 52.037 0.234 0.000 0.770 312 A CB 0.096 19.249 19.000 0.254 0.000 1.011 312 A HN 0.639 nan 8.150 nan 0.000 0.494 313 I N 1.466 122.108 120.570 0.121 0.000 2.498 313 I HA 0.682 4.851 4.170 -0.000 0.000 0.290 313 I C 0.483 176.617 176.117 0.028 0.000 1.032 313 I CA 0.392 61.689 61.300 -0.006 0.000 1.073 313 I CB 2.391 40.421 38.000 0.049 0.000 1.251 313 I HN 0.997 nan 8.210 nan 0.000 0.426 314 G N 3.093 111.889 108.800 -0.005 0.000 2.321 314 G HA2 0.391 4.350 3.960 -0.000 0.000 0.298 314 G HA3 0.391 4.350 3.960 -0.000 0.000 0.298 314 G C 0.022 174.945 174.900 0.038 0.000 1.385 314 G CA -0.094 45.030 45.100 0.039 0.000 0.856 314 G HN 0.681 nan 8.290 nan 0.000 0.584 315 A N -0.802 122.045 122.820 0.045 0.000 1.972 315 A HA 0.020 4.339 4.320 -0.000 0.000 0.219 315 A C 2.091 179.706 177.584 0.050 0.000 1.169 315 A CA 2.420 54.481 52.037 0.039 0.000 0.635 315 A CB -0.416 18.602 19.000 0.030 0.000 0.810 315 A HN 0.616 nan 8.150 nan 0.000 0.446 316 Q N -0.861 118.983 119.800 0.072 0.000 2.500 316 Q HA 0.334 4.673 4.340 -0.000 0.000 0.213 316 Q C 0.721 176.832 176.000 0.186 0.000 0.974 316 Q CA 0.840 56.708 55.803 0.109 0.000 0.918 316 Q CB -0.208 28.605 28.738 0.124 0.000 0.980 316 Q HN 0.850 nan 8.270 nan 0.000 0.505 317 G N -1.330 107.555 108.800 0.141 0.000 2.397 317 G HA2 0.178 4.138 3.960 -0.000 0.000 0.453 317 G HA3 0.178 4.138 3.960 -0.000 0.000 0.453 317 G C -0.968 173.996 174.900 0.107 0.000 1.579 317 G CA -0.828 44.361 45.100 0.148 0.000 0.906 317 G HN -0.059 nan 8.290 nan 0.000 0.675 318 S N 1.772 117.384 115.700 -0.146 0.000 2.532 318 S HA 0.607 5.076 4.470 -0.000 0.000 0.301 318 S C 1.254 175.331 174.600 -0.872 0.000 1.083 318 S CA -0.302 57.567 58.200 -0.552 0.000 1.025 318 S CB 1.197 63.693 63.200 -1.173 0.000 1.056 318 S HN 1.072 nan 8.310 nan 0.000 0.494 319 W N 2.736 123.411 121.300 -1.042 0.000 2.331 319 W HA -0.255 4.404 4.660 -0.000 0.000 0.291 319 W C 0.931 177.096 176.519 -0.590 0.000 1.214 319 W CA 1.486 58.118 57.345 -1.188 0.000 1.228 319 W CB -1.029 28.005 29.460 -0.711 0.000 1.135 319 W HN 0.920 nan 8.180 nan 0.000 0.537 320 Y N 0.877 120.429 120.300 -1.248 0.000 2.529 320 Y HA 0.185 4.735 4.550 -0.000 0.000 0.290 320 Y C 1.507 177.101 175.900 -0.509 0.000 1.177 320 Y CA -0.204 57.224 58.100 -1.121 0.000 1.305 320 Y CB -1.581 35.992 38.460 -1.478 0.000 1.047 320 Y HN -0.176 nan 8.280 nan 0.000 0.522 321 D N 1.022 121.286 120.400 -0.225 0.000 2.149 321 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 321 D C 1.734 178.000 176.300 -0.057 0.000 0.990 321 D CA 2.063 56.016 54.000 -0.079 0.000 0.839 321 D CB -0.154 40.585 40.800 -0.100 0.000 0.948 321 D HN 0.555 nan 8.370 nan 0.000 0.460 322 S N -1.348 114.303 115.700 -0.081 0.000 2.629 322 S HA 0.529 4.999 4.470 -0.000 0.000 0.236 322 S C 0.656 175.249 174.600 -0.012 0.000 1.010 322 S CA -0.400 57.782 58.200 -0.030 0.000 0.981 322 S CB 0.599 63.796 63.200 -0.005 0.000 0.919 322 S HN 0.197 nan 8.310 nan 0.000 0.514 323 A N 2.731 125.542 122.820 -0.016 0.000 2.332 323 A HA 0.689 5.009 4.320 -0.000 0.000 0.258 323 A C -2.103 175.474 177.584 -0.013 0.000 1.087 323 A CA -1.264 50.792 52.037 0.032 0.000 0.802 323 A CB -0.712 18.358 19.000 0.116 0.000 1.042 323 A HN 0.337 nan 8.150 nan 0.000 0.489 324 P HA 0.118 nan 4.420 nan 0.000 0.272 324 P C 0.252 177.519 177.300 -0.056 0.000 1.248 324 P CA 0.009 63.069 63.100 -0.068 0.000 0.799 324 P CB 0.209 31.831 31.700 -0.130 0.000 0.997 325 S N -0.138 115.540 115.700 -0.038 0.000 2.584 325 S HA 0.025 4.494 4.470 -0.000 0.000 0.270 325 S C 1.058 175.683 174.600 0.043 0.000 1.346 325 S CA -0.423 57.788 58.200 0.017 0.000 1.018 325 S CB -0.348 62.867 63.200 0.026 0.000 0.899 325 S HN 0.453 nan 8.310 nan 0.000 0.542 326 F N 2.073 121.998 119.950 -0.042 0.000 2.063 326 F HA -0.301 4.226 4.527 -0.000 0.000 0.298 326 F C 2.544 178.319 175.800 -0.042 0.000 1.105 326 F CA 2.381 60.390 58.000 0.015 0.000 1.215 326 F CB -0.378 38.641 39.000 0.031 0.000 0.972 326 F HN 0.819 nan 8.300 nan 0.000 0.483 327 N N -0.433 118.475 118.700 0.347 0.000 2.104 327 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 327 N C 1.594 177.119 175.510 0.025 0.000 1.024 327 N CA 2.061 55.244 53.050 0.223 0.000 0.853 327 N CB -0.221 38.341 38.487 0.125 0.000 1.008 327 N HN 0.349 nan 8.380 nan 0.000 0.424 328 T N 1.624 116.142 114.554 -0.060 0.000 2.904 328 T HA 0.030 4.379 4.350 -0.000 0.000 0.267 328 T C 2.035 176.537 174.700 -0.330 0.000 1.059 328 T CA 0.460 62.469 62.100 -0.152 0.000 1.137 328 T CB 0.026 68.808 68.868 -0.143 0.000 0.879 328 T HN 0.188 nan 8.240 nan 0.000 0.467 329 L N 0.659 121.573 121.223 -0.515 0.000 2.109 329 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 329 L C 2.772 179.108 176.870 -0.890 0.000 1.086 329 L CA 1.177 55.430 54.840 -0.979 0.000 0.760 329 L CB -0.491 40.779 42.059 -1.314 0.000 0.910 329 L HN 0.222 nan 8.230 nan 0.000 0.437 330 E N 0.794 120.663 120.200 -0.551 0.000 2.077 330 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 330 E C 2.216 178.806 176.600 -0.016 0.000 0.989 330 E CA 1.776 58.155 56.400 -0.035 0.000 0.800 330 E CB 0.005 29.807 29.700 0.169 0.000 0.746 330 E HN 0.465 nan 8.360 nan 0.000 0.452 331 S N -1.733 113.929 115.700 -0.063 0.000 2.436 331 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 331 S C 1.955 176.545 174.600 -0.017 0.000 1.014 331 S CA 1.072 59.266 58.200 -0.010 0.000 0.950 331 S CB -0.222 62.980 63.200 0.003 0.000 0.784 331 S HN 0.216 nan 8.310 nan 0.000 0.504 332 T N 1.227 115.705 114.554 -0.127 0.000 2.901 332 T HA 0.275 4.625 4.350 -0.000 0.000 0.252 332 T C 1.304 176.002 174.700 -0.002 0.000 1.035 332 T CA 0.637 62.680 62.100 -0.095 0.000 1.142 332 T CB -0.475 68.218 68.868 -0.291 0.000 0.869 332 T HN 0.442 nan 8.240 nan 0.000 0.442 333 F N 0.790 120.633 119.950 -0.179 0.000 2.293 333 F HA 0.168 4.695 4.527 -0.000 0.000 0.297 333 F C 0.585 176.355 175.800 -0.051 0.000 1.089 333 F CA 0.040 57.946 58.000 -0.156 0.000 1.377 333 F CB 0.235 39.001 39.000 -0.390 0.000 1.051 333 F HN 0.043 nan 8.300 nan 0.000 0.511 334 I N 1.540 122.170 120.570 0.100 0.000 2.315 334 I HA 0.165 4.334 4.170 -0.000 0.000 0.291 334 I C 0.357 176.556 176.117 0.137 0.000 1.006 334 I CA -0.495 60.774 61.300 -0.051 0.000 1.265 334 I CB 0.767 38.735 38.000 -0.054 0.000 1.387 334 I HN -0.018 nan 8.210 nan 0.000 0.475 335 R N 3.384 124.032 120.500 0.245 0.000 2.623 335 R HA 0.205 4.545 4.340 -0.000 0.000 0.271 335 R C 0.698 177.108 176.300 0.183 0.000 1.043 335 R CA -0.031 56.184 56.100 0.192 0.000 1.083 335 R CB 0.664 31.014 30.300 0.083 0.000 0.974 335 R HN 0.848 nan 8.270 nan 0.000 0.436 336 G N 2.364 111.246 108.800 0.136 0.000 2.699 336 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.246 336 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.246 336 G C -0.155 174.842 174.900 0.162 0.000 1.219 336 G CA -0.547 44.624 45.100 0.119 0.000 0.866 336 G HN 0.399 nan 8.290 nan 0.000 0.572 337 K N 0.346 120.803 120.400 0.095 0.000 2.414 337 K HA 0.204 4.524 4.320 -0.000 0.000 0.272 337 K C -0.115 176.541 176.600 0.093 0.000 0.993 337 K CA 0.391 56.708 56.287 0.050 0.000 0.964 337 K CB 0.790 33.275 32.500 -0.025 0.000 0.925 337 K HN 0.947 nan 8.250 nan 0.000 0.487 338 H N -2.066 116.998 119.070 -0.011 0.000 3.037 338 H HA 0.353 4.909 4.556 -0.000 0.000 0.336 338 H C -0.954 174.375 175.328 0.001 0.000 1.323 338 H CA -0.932 55.104 56.048 -0.020 0.000 1.159 338 H CB 0.184 29.909 29.762 -0.062 0.000 1.882 338 H HN 0.307 nan 8.280 nan 0.000 0.535 339 L N 1.604 122.863 121.223 0.061 0.000 2.456 339 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 339 L C 0.264 177.219 176.870 0.142 0.000 1.189 339 L CA -0.424 54.458 54.840 0.070 0.000 0.846 339 L CB 0.092 42.215 42.059 0.107 0.000 1.111 339 L HN 0.546 nan 8.230 nan 0.000 0.475 340 F N 3.766 123.693 119.950 -0.038 0.000 2.612 340 F HA 0.013 4.540 4.527 -0.000 0.000 0.389 340 F C 0.382 176.158 175.800 -0.040 0.000 1.055 340 F CA -0.108 57.859 58.000 -0.056 0.000 1.232 340 F CB 0.092 39.046 39.000 -0.077 0.000 1.044 340 F HN 0.582 nan 8.300 nan 0.000 0.560 341 D N 4.402 124.411 120.400 -0.651 0.000 2.610 341 D HA 0.436 5.076 4.640 -0.000 0.000 0.271 341 D C -1.631 174.162 176.300 -0.845 0.000 1.174 341 D CA -0.617 53.120 54.000 -0.439 0.000 0.949 341 D CB 0.829 41.556 40.800 -0.122 0.000 1.430 341 D HN 0.284 nan 8.370 nan 0.000 0.467 342 F N -0.206 119.659 119.950 -0.141 0.000 2.540 342 F HA 0.424 4.951 4.527 -0.000 0.000 0.317 342 F C 0.433 176.208 175.800 -0.042 0.000 1.104 342 F CA -1.262 56.677 58.000 -0.102 0.000 0.913 342 F CB 2.141 41.118 39.000 -0.037 0.000 1.170 342 F HN 0.261 nan 8.300 nan 0.000 0.450 343 I N 2.374 123.013 120.570 0.115 0.000 2.634 343 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 343 I C 0.878 177.067 176.117 0.119 0.000 1.124 343 I CA 0.510 61.846 61.300 0.060 0.000 1.417 343 I CB 1.139 39.082 38.000 -0.095 0.000 1.396 343 I HN 0.929 nan 8.210 nan 0.000 0.571 344 T N 3.776 118.393 114.554 0.106 0.000 2.989 344 T HA 0.296 4.645 4.350 -0.000 0.000 0.250 344 T C 0.541 175.264 174.700 0.039 0.000 0.981 344 T CA -0.402 61.760 62.100 0.103 0.000 0.980 344 T CB 0.205 69.120 68.868 0.078 0.000 1.133 344 T HN 0.616 nan 8.240 nan 0.000 0.489 345 R N -0.129 120.364 120.500 -0.012 0.000 2.566 345 R HA 0.700 5.040 4.340 -0.000 0.000 0.271 345 R C -2.417 173.787 176.300 -0.161 0.000 1.071 345 R CA -0.770 55.247 56.100 -0.139 0.000 0.915 345 R CB 1.864 32.099 30.300 -0.108 0.000 1.228 345 R HN 0.284 nan 8.270 nan 0.000 0.449 346 L N 2.787 123.819 121.223 -0.319 0.000 2.439 346 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 346 L C -1.245 175.389 176.870 -0.395 0.000 0.972 346 L CA -0.527 54.123 54.840 -0.316 0.000 0.836 346 L CB 2.451 44.294 42.059 -0.359 0.000 1.255 346 L HN 0.718 nan 8.230 nan 0.000 0.404 347 S N 5.411 120.914 115.700 -0.328 0.000 2.456 347 S HA 0.611 5.080 4.470 -0.000 0.000 0.316 347 S C -0.378 173.843 174.600 -0.632 0.000 1.089 347 S CA -0.429 57.493 58.200 -0.463 0.000 1.101 347 S CB 1.280 64.255 63.200 -0.375 0.000 0.995 347 S HN 0.387 nan 8.310 nan 0.000 0.468 348 I N 3.360 123.442 120.570 -0.813 0.000 2.377 348 I HA 0.391 4.561 4.170 -0.000 0.000 0.293 348 I C -1.127 174.480 176.117 -0.849 0.000 0.987 348 I CA -0.761 59.941 61.300 -0.997 0.000 1.185 348 I CB 0.977 38.131 38.000 -1.410 0.000 1.341 348 I HN 0.547 nan 8.210 nan 0.000 0.455 349 Y N 3.455 123.545 120.300 -0.350 0.000 2.330 349 Y HA 0.437 4.987 4.550 -0.000 0.000 0.336 349 Y C 0.484 176.356 175.900 -0.045 0.000 1.036 349 Y CA -0.636 57.379 58.100 -0.141 0.000 1.125 349 Y CB 1.693 40.093 38.460 -0.100 0.000 1.194 349 Y HN 0.404 nan 8.280 nan 0.000 0.469 350 T N 2.389 117.040 114.554 0.161 0.000 2.859 350 T HA 0.688 5.038 4.350 -0.000 0.000 0.281 350 T C 0.215 175.013 174.700 0.164 0.000 1.005 350 T CA -0.743 61.478 62.100 0.202 0.000 1.025 350 T CB 1.368 70.348 68.868 0.187 0.000 0.977 350 T HN 0.895 nan 8.240 nan 0.000 0.458 351 G N 1.196 110.101 108.800 0.175 0.000 2.630 351 G HA2 0.717 4.676 3.960 -0.000 0.000 0.296 351 G HA3 0.717 4.676 3.960 -0.000 0.000 0.296 351 G C -1.374 173.589 174.900 0.104 0.000 1.285 351 G CA -0.831 44.344 45.100 0.126 0.000 0.958 351 G HN 0.652 nan 8.290 nan 0.000 0.479 352 R N 0.075 120.609 120.500 0.056 0.000 2.561 352 R HA 0.579 4.919 4.340 -0.000 0.000 0.297 352 R C -0.972 175.316 176.300 -0.020 0.000 0.969 352 R CA -0.393 55.728 56.100 0.034 0.000 0.879 352 R CB 1.619 31.918 30.300 -0.002 0.000 1.178 352 R HN 0.472 nan 8.270 nan 0.000 0.445 353 S N 1.550 117.222 115.700 -0.047 0.000 2.475 353 S HA 0.513 4.983 4.470 -0.000 0.000 0.298 353 S C -1.036 173.516 174.600 -0.080 0.000 1.119 353 S CA -0.661 57.413 58.200 -0.211 0.000 1.085 353 S CB 1.810 64.749 63.200 -0.436 0.000 1.028 353 S HN 0.667 nan 8.310 nan 0.000 0.489 354 S N 1.884 117.537 115.700 -0.079 0.000 2.570 354 S HA 0.800 5.270 4.470 -0.000 0.000 0.286 354 S C -1.249 173.440 174.600 0.148 0.000 1.099 354 S CA -0.787 57.455 58.200 0.070 0.000 0.913 354 S CB 1.435 64.665 63.200 0.050 0.000 1.085 354 S HN 0.628 nan 8.310 nan 0.000 0.480 355 F N 2.365 122.318 119.950 0.005 0.000 3.361 355 F HA 0.519 5.046 4.527 -0.000 0.000 0.390 355 F C -0.101 175.689 175.800 -0.018 0.000 1.251 355 F CA 0.877 58.862 58.000 -0.024 0.000 1.260 355 F CB 0.396 39.376 39.000 -0.034 0.000 1.847 355 F HN 1.338 nan 8.300 nan 0.000 0.673 356 S N 3.351 118.797 115.700 -0.423 0.000 3.983 356 S HA -0.003 4.467 4.470 -0.000 0.000 0.638 356 S C 0.302 174.859 174.600 -0.072 0.000 1.663 356 S CA 0.153 58.176 58.200 -0.295 0.000 1.838 356 S CB -1.424 61.543 63.200 -0.389 0.000 0.328 356 S HN 2.010 nan 8.310 nan 0.000 1.784 357 A N 0.742 123.545 122.820 -0.028 0.000 2.140 357 A HA 0.491 4.811 4.320 -0.000 0.000 0.209 357 A C 2.220 179.882 177.584 0.129 0.000 1.181 357 A CA 1.341 53.395 52.037 0.028 0.000 0.824 357 A CB -0.655 18.348 19.000 0.004 0.000 0.879 357 A HN 2.011 nan 8.150 nan 0.000 0.480 358 S N -0.467 115.292 115.700 0.099 0.000 2.503 358 S HA 0.133 4.603 4.470 -0.000 0.000 0.215 358 S C 0.067 174.714 174.600 0.079 0.000 1.003 358 S CA -0.100 58.169 58.200 0.114 0.000 0.910 358 S CB -0.215 63.013 63.200 0.046 0.000 0.790 358 S HN 0.353 nan 8.310 nan 0.000 0.514 359 N N 1.671 120.439 118.700 0.113 0.000 2.479 359 N HA 0.580 5.320 4.740 -0.000 0.000 0.261 359 N C -1.340 174.258 175.510 0.146 0.000 0.979 359 N CA -0.646 52.434 53.050 0.052 0.000 0.930 359 N CB 1.344 39.936 38.487 0.175 0.000 1.172 359 N HN 0.559 nan 8.380 nan 0.000 0.499 360 Y N -0.175 120.153 120.300 0.048 0.000 2.544 360 Y HA 0.676 5.226 4.550 -0.000 0.000 0.342 360 Y C -1.660 174.247 175.900 0.012 0.000 1.062 360 Y CA -1.503 56.611 58.100 0.022 0.000 1.023 360 Y CB 1.050 39.512 38.460 0.003 0.000 1.308 360 Y HN 0.243 nan 8.280 nan 0.000 0.457 361 L N 3.676 124.991 121.223 0.152 0.000 2.295 361 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 361 L C -1.141 175.829 176.870 0.167 0.000 1.018 361 L CA -0.942 53.963 54.840 0.108 0.000 0.841 361 L CB 1.098 43.187 42.059 0.050 0.000 1.218 361 L HN 0.677 nan 8.230 nan 0.000 0.424 362 K N 6.231 126.750 120.400 0.199 0.000 2.285 362 K HA 0.377 4.696 4.320 -0.000 0.000 0.286 362 K C -0.612 176.094 176.600 0.176 0.000 1.072 362 K CA -0.435 55.947 56.287 0.159 0.000 0.913 362 K CB 0.767 33.342 32.500 0.124 0.000 1.067 362 K HN 0.543 nan 8.250 nan 0.000 0.479 363 K N 1.712 122.253 120.400 0.235 0.000 2.435 363 K HA 0.242 4.562 4.320 -0.000 0.000 0.251 363 K C -0.899 175.985 176.600 0.474 0.000 0.954 363 K CA -0.867 55.627 56.287 0.345 0.000 0.820 363 K CB 1.313 33.982 32.500 0.282 0.000 1.292 363 K HN 0.424 nan 8.250 nan 0.000 0.436 364 W N 5.696 127.194 121.300 0.330 0.000 2.692 364 W HA 0.074 4.734 4.660 -0.000 0.000 0.339 364 W C 0.349 176.989 176.519 0.202 0.000 1.415 364 W CA -0.767 56.678 57.345 0.168 0.000 1.389 364 W CB -0.436 29.040 29.460 0.026 0.000 1.492 364 W HN 0.728 nan 8.180 nan 0.000 0.545 365 I N 3.933 124.776 120.570 0.454 0.000 4.057 365 I HA 0.550 4.720 4.170 -0.000 0.000 0.334 365 I C 0.722 176.926 176.117 0.144 0.000 1.308 365 I CA 0.139 61.685 61.300 0.410 0.000 1.125 365 I CB 0.137 38.314 38.000 0.294 0.000 1.034 365 I HN 0.279 nan 8.210 nan 0.000 0.401 366 G N 1.162 109.938 108.800 -0.040 0.000 2.489 366 G HA2 0.511 4.471 3.960 -0.000 0.000 0.291 366 G HA3 0.511 4.471 3.960 -0.000 0.000 0.291 366 G C -1.737 173.191 174.900 0.048 0.000 1.487 366 G CA -0.462 44.546 45.100 -0.154 0.000 0.795 366 G HN 0.492 nan 8.290 nan 0.000 0.513 367 H N -1.328 117.778 119.070 0.060 0.000 3.042 367 H HA 0.621 5.177 4.556 -0.000 0.000 0.346 367 H C -1.735 173.698 175.328 0.174 0.000 1.294 367 H CA -0.776 55.316 56.048 0.073 0.000 1.141 367 H CB 1.930 31.642 29.762 -0.083 0.000 1.872 367 H HN 0.588 nan 8.280 nan 0.000 0.541 368 Q N 2.011 121.953 119.800 0.236 0.000 2.333 368 Q HA 0.547 4.886 4.340 -0.000 0.000 0.265 368 Q C -1.297 174.776 176.000 0.122 0.000 0.989 368 Q CA -0.914 54.975 55.803 0.143 0.000 0.842 368 Q CB 1.737 30.558 28.738 0.140 0.000 1.262 368 Q HN 0.615 nan 8.270 nan 0.000 0.451 369 I N 2.029 122.676 120.570 0.127 0.000 2.465 369 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 369 I C -1.298 174.825 176.117 0.010 0.000 1.014 369 I CA -0.226 61.084 61.300 0.018 0.000 1.093 369 I CB 2.093 40.016 38.000 -0.127 0.000 1.267 369 I HN 0.505 nan 8.210 nan 0.000 0.431 370 S N 4.628 120.328 115.700 -0.001 0.000 2.513 370 S HA 0.794 5.264 4.470 -0.000 0.000 0.299 370 S C -0.922 173.733 174.600 0.092 0.000 1.087 370 S CA -0.629 57.606 58.200 0.058 0.000 1.012 370 S CB 1.772 64.990 63.200 0.030 0.000 1.044 370 S HN 0.761 nan 8.310 nan 0.000 0.485 371 S N 1.907 117.693 115.700 0.145 0.000 2.638 371 S HA 0.742 5.211 4.470 -0.000 0.000 0.274 371 S C -1.564 173.104 174.600 0.113 0.000 1.157 371 S CA -0.877 57.408 58.200 0.142 0.000 0.826 371 S CB 1.905 65.228 63.200 0.203 0.000 1.139 371 S HN 0.688 nan 8.310 nan 0.000 0.474 372 Q N 0.563 120.433 119.800 0.116 0.000 2.263 372 Q HA 0.528 4.867 4.340 -0.000 0.000 0.262 372 Q C -3.089 173.004 176.000 0.156 0.000 0.984 372 Q CA -1.920 53.958 55.803 0.125 0.000 0.813 372 Q CB 2.234 31.049 28.738 0.130 0.000 1.299 372 Q HN 0.448 nan 8.270 nan 0.000 0.428 373 P HA 0.037 nan 4.420 nan 0.000 0.272 373 P C -0.531 176.903 177.300 0.223 0.000 1.240 373 P CA -0.415 62.789 63.100 0.172 0.000 0.791 373 P CB 0.491 32.274 31.700 0.139 0.000 0.978 374 I N 1.204 121.943 120.570 0.281 0.000 2.505 374 I HA 0.197 4.366 4.170 -0.000 0.000 0.287 374 I C 0.934 177.135 176.117 0.140 0.000 1.104 374 I CA 1.033 62.474 61.300 0.236 0.000 1.387 374 I CB -1.126 37.040 38.000 0.277 0.000 1.404 374 I HN 0.738 nan 8.210 nan 0.000 0.528 375 G N 4.662 113.524 108.800 0.102 0.000 2.143 375 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.249 375 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.249 375 G C 0.377 175.321 174.900 0.073 0.000 0.981 375 G CA 0.090 45.233 45.100 0.071 0.000 0.665 375 G HN 1.162 nan 8.290 nan 0.000 0.528 376 G N -0.768 108.085 108.800 0.089 0.000 2.753 376 G HA2 0.691 4.651 3.960 -0.000 0.000 0.285 376 G HA3 0.691 4.651 3.960 -0.000 0.000 0.285 376 G C 0.026 174.969 174.900 0.071 0.000 1.344 376 G CA 0.389 45.539 45.100 0.083 0.000 1.050 376 G HN 0.801 nan 8.290 nan 0.000 0.532 377 S N -0.747 114.993 115.700 0.066 0.000 2.578 377 S HA 0.424 4.893 4.470 -0.000 0.000 0.283 377 S C 0.162 174.799 174.600 0.062 0.000 1.195 377 S CA -0.348 57.886 58.200 0.057 0.000 1.050 377 S CB 1.297 64.525 63.200 0.048 0.000 1.012 377 S HN 0.395 nan 8.310 nan 0.000 0.511 378 I N 2.874 123.478 120.570 0.057 0.000 2.533 378 I HA 0.137 4.307 4.170 -0.000 0.000 0.284 378 I C 0.615 176.767 176.117 0.058 0.000 1.109 378 I CA -0.000 61.336 61.300 0.061 0.000 1.412 378 I CB 0.322 38.352 38.000 0.051 0.000 1.396 378 I HN 0.470 nan 8.210 nan 0.000 0.543 379 Q N 5.975 125.818 119.800 0.071 0.000 2.312 379 Q HA 0.463 4.802 4.340 -0.000 0.000 0.263 379 Q C -1.418 174.637 176.000 0.092 0.000 0.995 379 Q CA -0.412 55.435 55.803 0.074 0.000 0.853 379 Q CB 2.158 30.940 28.738 0.075 0.000 1.300 379 Q HN 0.645 nan 8.270 nan 0.000 0.448 380 T N 4.127 118.727 114.554 0.077 0.000 2.848 380 T HA 0.470 4.820 4.350 -0.000 0.000 0.285 380 T C -0.864 173.881 174.700 0.074 0.000 0.995 380 T CA -0.653 61.494 62.100 0.077 0.000 0.970 380 T CB 1.551 70.445 68.868 0.043 0.000 0.976 380 T HN 0.458 nan 8.240 nan 0.000 0.441 381 Q N 1.071 120.932 119.800 0.103 0.000 2.496 381 Q HA 0.646 4.986 4.340 -0.000 0.000 0.286 381 Q C -0.811 175.168 176.000 -0.035 0.000 1.103 381 Q CA -0.835 54.985 55.803 0.029 0.000 0.813 381 Q CB 2.286 31.067 28.738 0.071 0.000 1.444 381 Q HN 0.539 nan 8.270 nan 0.000 0.443 382 T N 1.128 115.559 114.554 -0.205 0.000 2.848 382 T HA 0.650 5.000 4.350 -0.000 0.000 0.285 382 T C -1.358 173.079 174.700 -0.439 0.000 0.995 382 T CA -0.327 61.642 62.100 -0.219 0.000 0.970 382 T CB 0.438 69.210 68.868 -0.160 0.000 0.976 382 T HN 0.270 nan 8.240 nan 0.000 0.441 383 Y N 1.056 121.195 120.300 -0.268 0.000 2.462 383 Y HA 0.603 5.153 4.550 -0.000 0.000 0.346 383 Y C 0.973 176.811 175.900 -0.104 0.000 0.976 383 Y CA 0.041 58.044 58.100 -0.160 0.000 1.044 383 Y CB 2.086 40.432 38.460 -0.190 0.000 1.230 383 Y HN 1.030 nan 8.280 nan 0.000 0.455 384 G N 0.944 109.912 108.800 0.280 0.000 2.562 384 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.250 384 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.250 384 G C -0.638 174.323 174.900 0.101 0.000 1.269 384 G CA -0.424 44.875 45.100 0.332 0.000 0.919 384 G HN 0.623 nan 8.290 nan 0.000 0.574 385 T N 0.843 115.454 114.554 0.095 0.000 2.780 385 T HA 0.525 4.874 4.350 -0.000 0.000 0.294 385 T C 1.451 176.043 174.700 -0.180 0.000 0.949 385 T CA 0.929 63.023 62.100 -0.010 0.000 1.074 385 T CB 1.100 70.001 68.868 0.055 0.000 0.910 385 T HN 1.465 nan 8.240 nan 0.000 0.501 386 T N -1.036 113.308 114.554 -0.351 0.000 3.043 386 T HA 0.380 4.730 4.350 -0.000 0.000 0.272 386 T C 0.584 174.875 174.700 -0.681 0.000 0.990 386 T CA -0.088 61.491 62.100 -0.869 0.000 0.897 386 T CB 0.165 68.554 68.868 -0.799 0.000 1.111 386 T HN 0.626 nan 8.240 nan 0.000 0.529 387 S N -0.750 114.759 115.700 -0.319 0.000 2.672 387 S HA 0.790 5.260 4.470 -0.000 0.000 0.271 387 S C 0.105 174.650 174.600 -0.091 0.000 1.171 387 S CA -0.235 57.858 58.200 -0.179 0.000 0.817 387 S CB 1.203 64.317 63.200 -0.144 0.000 1.150 387 S HN 1.674 nan 8.310 nan 0.000 0.478 388 G N 0.702 109.470 108.800 -0.054 0.000 2.710 388 G HA2 0.011 3.970 3.960 -0.000 0.000 0.668 388 G HA3 0.011 3.970 3.960 -0.000 0.000 0.668 388 G C 0.603 175.497 174.900 -0.011 0.000 1.320 388 G CA 0.467 45.551 45.100 -0.027 0.000 0.860 388 G HN 2.032 nan 8.290 nan 0.000 0.538 389 S N -0.761 114.937 115.700 -0.002 0.000 2.399 389 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 389 S C 2.407 177.014 174.600 0.012 0.000 1.022 389 S CA 2.034 60.236 58.200 0.004 0.000 0.983 389 S CB -0.326 62.876 63.200 0.004 0.000 0.803 389 S HN 1.351 nan 8.310 nan 0.000 0.480 390 S N 1.094 116.805 115.700 0.019 0.000 2.420 390 S HA -0.004 4.466 4.470 -0.000 0.000 0.237 390 S C 0.755 175.382 174.600 0.046 0.000 1.023 390 S CA 0.695 58.916 58.200 0.034 0.000 0.991 390 S CB -0.477 62.752 63.200 0.047 0.000 0.792 390 S HN 0.423 nan 8.310 nan 0.000 0.488 391 V N 3.314 123.253 119.914 0.042 0.000 2.427 391 V HA 0.169 4.289 4.120 -0.000 0.000 0.268 391 V C 0.907 177.038 176.094 0.062 0.000 1.046 391 V CA -0.008 62.336 62.300 0.073 0.000 0.970 391 V CB 0.609 32.480 31.823 0.079 0.000 1.001 391 V HN 0.443 nan 8.190 nan 0.000 0.476 392 I N 2.320 122.928 120.570 0.064 0.000 4.035 392 I HA 0.736 4.906 4.170 -0.000 0.000 0.321 392 I C 0.723 176.859 176.117 0.031 0.000 1.289 392 I CA 0.224 61.544 61.300 0.034 0.000 1.236 392 I CB 0.382 38.391 38.000 0.015 0.000 1.076 392 I HN 0.509 nan 8.210 nan 0.000 0.418 393 A N 0.183 123.034 122.820 0.052 0.000 2.612 393 A HA 0.834 5.154 4.320 -0.000 0.000 0.293 393 A C -0.715 176.880 177.584 0.018 0.000 1.075 393 A CA -0.390 51.663 52.037 0.026 0.000 0.680 393 A CB 1.437 20.442 19.000 0.010 0.000 1.279 393 A HN 0.065 nan 8.150 nan 0.000 0.411 394 T N 1.046 115.566 114.554 -0.057 0.000 2.912 394 T HA 0.659 5.009 4.350 -0.000 0.000 0.299 394 T C -1.082 173.491 174.700 -0.212 0.000 1.052 394 T CA -0.338 61.631 62.100 -0.218 0.000 0.996 394 T CB 1.651 70.424 68.868 -0.157 0.000 1.070 394 T HN 0.700 nan 8.240 nan 0.000 0.465 395 Q N 1.978 121.588 119.800 -0.316 0.000 2.271 395 Q HA 0.347 4.687 4.340 -0.000 0.000 0.268 395 Q C -1.462 174.338 176.000 -0.332 0.000 1.021 395 Q CA -0.578 55.086 55.803 -0.233 0.000 0.802 395 Q CB 1.809 30.483 28.738 -0.107 0.000 1.282 395 Q HN 0.565 nan 8.270 nan 0.000 0.431 396 Q N 3.700 123.333 119.800 -0.278 0.000 2.257 396 Q HA 0.506 4.846 4.340 -0.000 0.000 0.255 396 Q C -0.857 174.924 176.000 -0.365 0.000 0.920 396 Q CA -0.324 55.292 55.803 -0.311 0.000 0.927 396 Q CB 1.366 29.967 28.738 -0.228 0.000 1.229 396 Q HN 0.603 nan 8.270 nan 0.000 0.433 397 I N 1.466 121.713 120.570 -0.539 0.000 2.447 397 I HA 0.322 4.491 4.170 -0.000 0.000 0.287 397 I C 0.234 175.781 176.117 -0.951 0.000 1.023 397 I CA -0.747 60.042 61.300 -0.851 0.000 1.083 397 I CB 2.044 39.293 38.000 -1.251 0.000 1.245 397 I HN 0.614 nan 8.210 nan 0.000 0.434 398 G N 5.019 113.354 108.800 -0.774 0.000 2.393 398 G HA2 0.385 4.345 3.960 -0.000 0.000 0.311 398 G HA3 0.385 4.345 3.960 -0.000 0.000 0.311 398 G C -0.032 174.537 174.900 -0.552 0.000 1.067 398 G CA -0.135 44.674 45.100 -0.484 0.000 1.000 398 G HN 0.661 nan 8.290 nan 0.000 0.422 399 F N 1.141 120.927 119.950 -0.274 0.000 2.749 399 F HA 0.088 4.615 4.527 -0.000 0.000 0.300 399 F C 1.599 177.519 175.800 0.200 0.000 1.103 399 F CA -0.397 57.512 58.000 -0.151 0.000 1.342 399 F CB 0.564 39.384 39.000 -0.299 0.000 1.098 399 F HN 0.224 nan 8.300 nan 0.000 0.586 400 T N 1.145 115.886 114.554 0.312 0.000 2.704 400 T HA 0.189 4.539 4.350 -0.000 0.000 0.271 400 T C 1.163 176.014 174.700 0.253 0.000 1.000 400 T CA 1.245 63.485 62.100 0.234 0.000 1.216 400 T CB -0.038 68.926 68.868 0.160 0.000 0.961 400 T HN 0.659 nan 8.240 nan 0.000 0.515 401 G N 2.857 111.685 108.800 0.047 0.000 2.175 401 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.244 401 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.244 401 G C 0.003 174.640 174.900 -0.439 0.000 0.982 401 G CA -0.602 44.303 45.100 -0.324 0.000 0.641 401 G HN 0.635 nan 8.290 nan 0.000 0.527 402 F N 1.739 121.716 119.950 0.043 0.000 2.420 402 F HA 0.495 5.022 4.527 -0.000 0.000 0.342 402 F C -0.026 175.798 175.800 0.041 0.000 1.113 402 F CA -0.802 57.286 58.000 0.147 0.000 1.059 402 F CB 1.374 40.585 39.000 0.352 0.000 1.128 402 F HN -0.139 nan 8.300 nan 0.000 0.475 403 D N 3.127 123.675 120.400 0.246 0.000 2.365 403 D HA 0.111 4.751 4.640 -0.000 0.000 0.237 403 D C -0.422 175.929 176.300 0.086 0.000 1.190 403 D CA 0.053 54.144 54.000 0.152 0.000 0.867 403 D CB 1.493 42.403 40.800 0.183 0.000 1.050 403 D HN 0.251 nan 8.370 nan 0.000 0.491 404 V N 4.917 124.783 119.914 -0.079 0.000 2.387 404 V HA 0.076 4.196 4.120 -0.000 0.000 0.260 404 V C 0.313 176.353 176.094 -0.091 0.000 1.054 404 V CA 0.005 62.199 62.300 -0.176 0.000 0.967 404 V CB -0.216 31.400 31.823 -0.344 0.000 1.036 404 V HN 0.502 nan 8.190 nan 0.000 0.481 405 Y N 4.008 124.253 120.300 -0.090 0.000 2.500 405 Y HA 0.486 5.036 4.550 -0.000 0.000 0.270 405 Y C 0.725 176.752 175.900 0.211 0.000 1.134 405 Y CA -0.096 57.953 58.100 -0.086 0.000 1.293 405 Y CB 0.057 38.167 38.460 -0.583 0.000 1.063 405 Y HN 0.585 nan 8.280 nan 0.000 0.534 406 K N 1.085 121.454 120.400 -0.052 0.000 2.561 406 K HA 0.380 4.699 4.320 -0.000 0.000 0.254 406 K C -1.501 175.158 176.600 0.099 0.000 0.942 406 K CA -0.368 55.976 56.287 0.095 0.000 0.818 406 K CB 1.816 34.338 32.500 0.036 0.000 1.306 406 K HN 0.204 nan 8.250 nan 0.000 0.435 407 T N 0.894 115.599 114.554 0.252 0.000 2.887 407 T HA 0.611 4.961 4.350 -0.000 0.000 0.288 407 T C -1.055 173.713 174.700 0.113 0.000 1.021 407 T CA -0.909 61.279 62.100 0.147 0.000 1.000 407 T CB 1.519 70.540 68.868 0.255 0.000 1.034 407 T HN 0.352 nan 8.240 nan 0.000 0.467 408 L N 2.440 123.677 121.223 0.024 0.000 2.415 408 L HA 0.629 4.968 4.340 -0.000 0.000 0.268 408 L C -0.751 176.126 176.870 0.011 0.000 0.984 408 L CA -0.095 54.761 54.840 0.026 0.000 0.853 408 L CB 1.693 43.762 42.059 0.016 0.000 1.215 408 L HN 0.937 nan 8.230 nan 0.000 0.419 409 S N 1.651 117.369 115.700 0.029 0.000 2.503 409 S HA 0.693 5.163 4.470 -0.000 0.000 0.301 409 S C -0.362 174.251 174.600 0.022 0.000 1.087 409 S CA -0.656 57.560 58.200 0.027 0.000 1.042 409 S CB 1.726 64.926 63.200 -0.001 0.000 1.043 409 S HN 0.538 nan 8.310 nan 0.000 0.489 410 T N 2.669 117.249 114.554 0.044 0.000 2.749 410 T HA 0.588 4.938 4.350 -0.000 0.000 0.287 410 T C -0.100 174.626 174.700 0.043 0.000 0.970 410 T CA -0.392 61.732 62.100 0.040 0.000 0.980 410 T CB 0.981 69.875 68.868 0.043 0.000 0.924 410 T HN 0.726 nan 8.240 nan 0.000 0.456 411 A N 3.140 125.975 122.820 0.024 0.000 2.252 411 A HA 0.747 5.067 4.320 -0.000 0.000 0.309 411 A C 0.648 178.261 177.584 0.048 0.000 1.285 411 A CA -0.630 51.422 52.037 0.025 0.000 0.900 411 A CB 0.363 19.361 19.000 -0.003 0.000 1.157 411 A HN 0.907 nan 8.150 nan 0.000 0.536 412 G N 0.395 109.225 108.800 0.050 0.000 2.441 412 G HA2 0.579 4.539 3.960 -0.000 0.000 0.334 412 G HA3 0.579 4.539 3.960 -0.000 0.000 0.334 412 G C -1.019 173.834 174.900 -0.079 0.000 1.161 412 G CA -0.519 44.582 45.100 0.003 0.000 0.935 412 G HN 0.937 nan 8.290 nan 0.000 0.488 413 V N 1.345 121.115 119.914 -0.239 0.000 2.623 413 V HA 0.392 4.512 4.120 -0.000 0.000 0.304 413 V C -0.745 174.982 176.094 -0.613 0.000 1.054 413 V CA -0.788 61.149 62.300 -0.604 0.000 0.882 413 V CB 1.510 32.769 31.823 -0.940 0.000 1.002 413 V HN 0.709 nan 8.190 nan 0.000 0.424 414 L N 5.372 126.306 121.223 -0.483 0.000 2.264 414 L HA 0.652 4.992 4.340 -0.000 0.000 0.289 414 L C -0.899 175.708 176.870 -0.438 0.000 1.044 414 L CA 0.236 54.897 54.840 -0.299 0.000 0.807 414 L CB 0.523 42.562 42.059 -0.034 0.000 1.192 414 L HN 0.476 nan 8.230 nan 0.000 0.425 415 F N 5.197 125.028 119.950 -0.197 0.000 2.404 415 F HA 0.677 5.204 4.527 -0.000 0.000 0.358 415 F C 0.773 176.185 175.800 -0.647 0.000 1.120 415 F CA -0.090 57.721 58.000 -0.315 0.000 1.144 415 F CB 0.965 39.816 39.000 -0.247 0.000 1.133 415 F HN 0.679 nan 8.300 nan 0.000 0.495 416 A N 3.314 125.835 122.820 -0.499 0.000 2.309 416 A HA 0.459 4.778 4.320 -0.000 0.000 0.317 416 A C 0.505 177.788 177.584 -0.502 0.000 1.134 416 A CA -0.673 50.747 52.037 -1.029 0.000 0.866 416 A CB 0.337 19.150 19.000 -0.312 0.000 1.329 416 A HN 0.813 nan 8.150 nan 0.000 0.477 417 Y N -0.044 120.132 120.300 -0.206 0.000 2.069 417 Y HA -0.285 4.264 4.550 -0.000 0.000 0.278 417 Y C 2.533 178.434 175.900 0.001 0.000 1.175 417 Y CA 2.357 60.475 58.100 0.030 0.000 1.134 417 Y CB 0.012 38.585 38.460 0.188 0.000 0.965 417 Y HN 0.710 nan 8.280 nan 0.000 0.498 418 T N -3.785 110.875 114.554 0.176 0.000 3.091 418 T HA 0.322 4.671 4.350 -0.000 0.000 0.277 418 T C -0.077 174.632 174.700 0.015 0.000 0.996 418 T CA 0.151 62.307 62.100 0.094 0.000 0.897 418 T CB 0.017 68.947 68.868 0.103 0.000 1.109 418 T HN 0.200 nan 8.240 nan 0.000 0.534 419 S N 0.487 116.157 115.700 -0.051 0.000 2.596 419 S HA 0.718 5.188 4.470 -0.000 0.000 0.270 419 S C -1.728 172.668 174.600 -0.340 0.000 1.155 419 S CA -1.207 56.881 58.200 -0.187 0.000 0.827 419 S CB 2.150 65.206 63.200 -0.240 0.000 1.130 419 S HN 0.441 nan 8.310 nan 0.000 0.467 420 K N 0.228 120.343 120.400 -0.474 0.000 2.328 420 K HA 0.632 4.952 4.320 -0.000 0.000 0.246 420 K C -1.862 174.228 176.600 -0.850 0.000 0.955 420 K CA -0.855 55.062 56.287 -0.617 0.000 0.817 420 K CB 1.441 33.609 32.500 -0.554 0.000 1.208 420 K HN 0.676 nan 8.250 nan 0.000 0.432 421 Y N 0.519 120.580 120.300 -0.398 0.000 2.338 421 Y HA 0.323 4.873 4.550 -0.000 0.000 0.333 421 Y C -0.977 174.695 175.900 -0.379 0.000 0.968 421 Y CA -0.948 57.016 58.100 -0.227 0.000 1.123 421 Y CB 1.354 39.752 38.460 -0.103 0.000 1.165 421 Y HN 0.427 nan 8.280 nan 0.000 0.452 422 Y N 1.302 121.643 120.300 0.069 0.000 2.342 422 Y HA 0.792 5.342 4.550 -0.000 0.000 0.334 422 Y C 0.639 176.585 175.900 0.076 0.000 1.067 422 Y CA -0.952 57.170 58.100 0.037 0.000 1.128 422 Y CB 2.105 40.589 38.460 0.039 0.000 1.200 422 Y HN 0.731 nan 8.280 nan 0.000 0.464 423 G N 0.503 109.423 108.800 0.200 0.000 2.579 423 G HA2 0.451 4.411 3.960 -0.000 0.000 0.292 423 G HA3 0.451 4.411 3.960 -0.000 0.000 0.292 423 G C -2.207 172.790 174.900 0.162 0.000 1.484 423 G CA -0.831 44.386 45.100 0.194 0.000 0.813 423 G HN 0.420 nan 8.290 nan 0.000 0.515 424 V N 1.542 121.581 119.914 0.208 0.000 2.406 424 V HA 0.385 4.504 4.120 -0.000 0.000 0.272 424 V C 1.364 177.671 176.094 0.355 0.000 1.043 424 V CA 0.539 62.970 62.300 0.218 0.000 0.915 424 V CB 1.192 33.118 31.823 0.171 0.000 0.988 424 V HN 1.061 nan 8.190 nan 0.000 0.466 425 S N 3.281 119.126 115.700 0.241 0.000 2.492 425 S HA 0.237 4.707 4.470 -0.000 0.000 0.218 425 S C 0.457 175.142 174.600 0.142 0.000 1.016 425 S CA -0.088 58.220 58.200 0.181 0.000 0.916 425 S CB 0.254 63.504 63.200 0.084 0.000 0.791 425 S HN 0.678 nan 8.310 nan 0.000 0.513 426 K N 0.373 120.901 120.400 0.214 0.000 2.557 426 K HA 0.542 4.861 4.320 -0.000 0.000 0.257 426 K C -2.336 174.403 176.600 0.232 0.000 0.933 426 K CA -0.596 55.797 56.287 0.177 0.000 0.820 426 K CB 2.293 34.828 32.500 0.057 0.000 1.330 426 K HN 0.040 nan 8.250 nan 0.000 0.432 427 V N 3.442 123.510 119.914 0.257 0.000 2.525 427 V HA 0.355 4.475 4.120 -0.000 0.000 0.299 427 V C -0.669 175.344 176.094 -0.135 0.000 1.034 427 V CA -0.962 61.344 62.300 0.010 0.000 0.863 427 V CB 1.745 33.513 31.823 -0.092 0.000 0.999 427 V HN 0.527 nan 8.190 nan 0.000 0.423 428 V N 5.280 125.099 119.914 -0.158 0.000 2.364 428 V HA 0.457 4.576 4.120 -0.000 0.000 0.272 428 V C -0.535 175.443 176.094 -0.194 0.000 1.036 428 V CA -0.253 61.986 62.300 -0.101 0.000 0.880 428 V CB 0.820 32.632 31.823 -0.018 0.000 0.991 428 V HN 0.675 nan 8.190 nan 0.000 0.460 429 F N 2.775 122.799 119.950 0.122 0.000 2.334 429 F HA 0.414 4.941 4.527 -0.000 0.000 0.367 429 F C 0.528 176.323 175.800 -0.008 0.000 1.115 429 F CA -0.789 57.257 58.000 0.075 0.000 1.116 429 F CB 0.688 39.815 39.000 0.213 0.000 1.230 429 F HN 0.405 nan 8.300 nan 0.000 0.484 430 D N 3.163 123.525 120.400 -0.063 0.000 2.317 430 D HA 0.505 5.145 4.640 -0.000 0.000 0.252 430 D C -0.258 175.716 176.300 -0.542 0.000 1.174 430 D CA 0.203 53.992 54.000 -0.352 0.000 0.866 430 D CB 1.576 42.017 40.800 -0.598 0.000 1.127 430 D HN 0.575 nan 8.370 nan 0.000 0.467 431 A N 2.813 125.531 122.820 -0.170 0.000 2.413 431 A HA 0.785 5.105 4.320 -0.000 0.000 0.307 431 A C -0.865 176.971 177.584 0.421 0.000 1.087 431 A CA -0.723 51.398 52.037 0.140 0.000 0.750 431 A CB 1.384 20.561 19.000 0.296 0.000 1.296 431 A HN 0.572 nan 8.150 nan 0.000 0.423 432 I N 0.358 121.272 120.570 0.573 0.000 2.656 432 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 432 I C -1.824 174.574 176.117 0.469 0.000 1.144 432 I CA -0.685 60.916 61.300 0.501 0.000 1.038 432 I CB 1.800 40.020 38.000 0.366 0.000 1.244 432 I HN 0.734 nan 8.210 nan 0.000 0.420 433 Y N 9.771 130.177 120.300 0.176 0.000 2.556 433 Y HA 0.389 4.938 4.550 -0.000 0.000 0.352 433 Y C -1.723 174.186 175.900 0.015 0.000 1.006 433 Y CA -1.880 56.139 58.100 -0.135 0.000 1.277 433 Y CB 0.848 39.109 38.460 -0.332 0.000 1.136 433 Y HN 0.409 nan 8.280 nan 0.000 0.523 434 P HA -0.124 nan 4.420 nan 0.000 0.225 434 P C 0.669 177.973 177.300 0.008 0.000 1.148 434 P CA 1.261 64.377 63.100 0.027 0.000 0.779 434 P CB 0.545 32.256 31.700 0.019 0.000 0.780 435 D N 0.441 120.805 120.400 -0.060 0.000 2.078 435 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 435 D C 1.503 177.884 176.300 0.134 0.000 0.990 435 D CA 1.402 55.431 54.000 0.048 0.000 0.827 435 D CB -0.450 40.403 40.800 0.088 0.000 0.975 435 D HN 0.399 nan 8.370 nan 0.000 0.451 436 N N -1.137 117.701 118.700 0.230 0.000 2.204 436 N HA 0.037 4.777 4.740 -0.000 0.000 0.219 436 N C -0.344 175.274 175.510 0.180 0.000 1.151 436 N CA -0.134 53.017 53.050 0.169 0.000 0.867 436 N CB 0.699 39.265 38.487 0.132 0.000 1.043 436 N HN -0.176 nan 8.380 nan 0.000 0.516 437 K N 0.006 120.524 120.400 0.197 0.000 3.048 437 K HA -0.284 4.035 4.320 -0.000 0.000 0.274 437 K C -0.541 176.165 176.600 0.177 0.000 1.098 437 K CA 0.666 57.061 56.287 0.181 0.000 0.807 437 K CB -2.674 29.907 32.500 0.135 0.000 1.217 437 K HN 0.621 nan 8.250 nan 0.000 0.477 438 Y N 2.161 122.531 120.300 0.117 0.000 2.544 438 Y HA 0.082 4.632 4.550 -0.000 0.000 0.330 438 Y C 0.385 176.394 175.900 0.181 0.000 1.136 438 Y CA 0.339 58.494 58.100 0.092 0.000 1.417 438 Y CB 0.587 39.065 38.460 0.030 0.000 1.229 438 Y HN -0.038 nan 8.280 nan 0.000 0.532 439 K N 4.971 125.003 120.400 -0.612 0.000 2.244 439 K HA 0.466 4.785 4.320 -0.000 0.000 0.260 439 K C -0.624 175.600 176.600 -0.628 0.000 0.951 439 K CA -0.829 55.224 56.287 -0.389 0.000 0.826 439 K CB 1.985 34.292 32.500 -0.322 0.000 1.108 439 K HN 0.711 nan 8.250 nan 0.000 0.433 440 T N 0.436 114.780 114.554 -0.350 0.000 2.816 440 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 440 T C -1.250 173.196 174.700 -0.424 0.000 1.230 440 T CA -0.409 61.420 62.100 -0.453 0.000 1.007 440 T CB 1.903 70.456 68.868 -0.524 0.000 1.289 440 T HN 0.417 nan 8.240 nan 0.000 0.508 441 T N 2.474 116.750 114.554 -0.464 0.000 2.841 441 T HA 0.711 5.061 4.350 -0.000 0.000 0.283 441 T C -1.350 173.069 174.700 -0.468 0.000 1.000 441 T CA -0.251 61.658 62.100 -0.319 0.000 0.977 441 T CB 0.359 69.143 68.868 -0.140 0.000 0.979 441 T HN 0.381 nan 8.240 nan 0.000 0.446 442 F N 1.355 121.339 119.950 0.056 0.000 2.458 442 F HA 0.531 5.058 4.527 -0.000 0.000 0.336 442 F C 0.811 176.755 175.800 0.240 0.000 1.114 442 F CA -0.886 57.166 58.000 0.087 0.000 0.987 442 F CB 1.714 40.704 39.000 -0.016 0.000 1.130 442 F HN 0.301 nan 8.300 nan 0.000 0.458 443 T N 2.463 117.200 114.554 0.304 0.000 2.792 443 T HA 0.231 4.581 4.350 -0.000 0.000 0.280 443 T C -1.507 173.351 174.700 0.263 0.000 0.990 443 T CA -0.506 61.732 62.100 0.231 0.000 0.960 443 T CB 0.631 69.557 68.868 0.096 0.000 0.939 443 T HN 0.437 nan 8.240 nan 0.000 0.439 444 Y N 4.050 124.446 120.300 0.159 0.000 2.353 444 Y HA 0.585 5.135 4.550 -0.000 0.000 0.340 444 Y C -0.097 175.847 175.900 0.073 0.000 0.972 444 Y CA -0.942 57.221 58.100 0.104 0.000 1.157 444 Y CB 0.575 39.122 38.460 0.145 0.000 1.157 444 Y HN 0.575 nan 8.280 nan 0.000 0.495 445 N N 8.349 126.797 118.700 -0.421 0.000 2.785 445 N HA 0.232 4.972 4.740 -0.000 0.000 0.224 445 N C -2.232 173.077 175.510 -0.335 0.000 1.448 445 N CA -1.316 51.519 53.050 -0.358 0.000 0.748 445 N CB 0.831 39.243 38.487 -0.125 0.000 1.385 445 N HN 0.447 nan 8.380 nan 0.000 0.538 446 P HA 0.121 nan 4.420 nan 0.000 0.216 446 P C 0.197 177.446 177.300 -0.085 0.000 1.150 446 P CA 1.166 64.124 63.100 -0.237 0.000 0.837 446 P CB 0.124 31.702 31.700 -0.203 0.000 0.786 447 G N -0.974 107.799 108.800 -0.045 0.000 3.220 447 G HA2 0.118 4.077 3.960 -0.000 0.000 0.636 447 G HA3 0.118 4.077 3.960 -0.000 0.000 0.636 447 G C -0.644 174.354 174.900 0.163 0.000 1.226 447 G CA -0.569 44.560 45.100 0.048 0.000 1.177 447 G HN 0.230 nan 8.290 nan 0.000 0.527 448 S N 0.450 116.176 115.700 0.042 0.000 2.648 448 S HA 0.910 5.379 4.470 -0.000 0.000 0.305 448 S C -0.432 173.976 174.600 -0.320 0.000 1.094 448 S CA -0.682 57.461 58.200 -0.096 0.000 0.983 448 S CB 2.262 65.430 63.200 -0.053 0.000 1.101 448 S HN 0.791 nan 8.310 nan 0.000 0.514 449 E N -0.485 119.336 120.200 -0.632 0.000 2.321 449 E HA 0.542 4.891 4.350 -0.000 0.000 0.281 449 E C 0.003 176.389 176.600 -0.357 0.000 0.910 449 E CA 0.434 56.528 56.400 -0.510 0.000 0.770 449 E CB 1.483 30.766 29.700 -0.696 0.000 1.225 449 E HN 0.812 nan 8.360 nan 0.000 0.417 450 G N 2.738 111.440 108.800 -0.163 0.000 2.136 450 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 450 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 450 G C 0.237 175.136 174.900 -0.001 0.000 0.989 450 G CA 0.471 45.535 45.100 -0.061 0.000 0.682 450 G HN 0.571 nan 8.290 nan 0.000 0.522 451 I N -1.250 119.305 120.570 -0.026 0.000 2.664 451 I HA 0.828 4.997 4.170 -0.000 0.000 0.308 451 I C 0.974 177.135 176.117 0.073 0.000 0.984 451 I CA -0.760 60.544 61.300 0.006 0.000 1.213 451 I CB 1.254 39.221 38.000 -0.055 0.000 1.379 451 I HN 0.170 nan 8.210 nan 0.000 0.501 452 G N 2.711 111.599 108.800 0.146 0.000 2.483 452 G HA2 0.554 4.514 3.960 -0.000 0.000 0.248 452 G HA3 0.554 4.514 3.960 -0.000 0.000 0.248 452 G C -0.674 174.260 174.900 0.056 0.000 1.248 452 G CA -0.115 45.093 45.100 0.181 0.000 0.838 452 G HN 1.121 nan 8.290 nan 0.000 0.566 453 A N 1.728 124.587 122.820 0.066 0.000 2.547 453 A HA 0.734 5.054 4.320 -0.000 0.000 0.297 453 A C -0.646 176.969 177.584 0.052 0.000 1.056 453 A CA -0.688 51.376 52.037 0.044 0.000 0.688 453 A CB 1.576 20.595 19.000 0.031 0.000 1.282 453 A HN 0.660 nan 8.150 nan 0.000 0.400 454 Q N 1.215 121.044 119.800 0.049 0.000 2.323 454 Q HA 0.395 4.735 4.340 -0.000 0.000 0.271 454 Q C -1.136 174.883 176.000 0.032 0.000 1.048 454 Q CA -0.741 55.089 55.803 0.046 0.000 0.792 454 Q CB 2.833 31.606 28.738 0.058 0.000 1.280 454 Q HN 0.730 nan 8.270 nan 0.000 0.441 455 E N 2.728 122.944 120.200 0.027 0.000 2.229 455 E HA 0.147 4.497 4.350 -0.000 0.000 0.283 455 E C -0.923 175.686 176.600 0.015 0.000 1.030 455 E CA -0.292 56.120 56.400 0.021 0.000 0.836 455 E CB 0.749 30.461 29.700 0.021 0.000 1.068 455 E HN 0.295 nan 8.360 nan 0.000 0.401 456 K N 3.173 123.577 120.400 0.007 0.000 2.394 456 K HA 0.294 4.613 4.320 -0.000 0.000 0.260 456 K C -0.676 175.933 176.600 0.015 0.000 0.967 456 K CA -0.803 55.483 56.287 -0.001 0.000 0.855 456 K CB 1.416 33.895 32.500 -0.034 0.000 1.101 456 K HN 0.312 nan 8.250 nan 0.000 0.433 457 D N 1.609 122.017 120.400 0.014 0.000 2.280 457 D HA 0.063 4.703 4.640 -0.000 0.000 0.236 457 D C 0.988 177.290 176.300 0.003 0.000 1.082 457 D CA -0.305 53.708 54.000 0.022 0.000 0.834 457 D CB 1.382 42.191 40.800 0.014 0.000 1.100 457 D HN 0.456 nan 8.370 nan 0.000 0.486 458 S N 2.906 118.620 115.700 0.024 0.000 2.423 458 S HA -0.133 4.336 4.470 -0.000 0.000 0.231 458 S C 1.377 175.865 174.600 -0.187 0.000 1.014 458 S CA 0.647 58.796 58.200 -0.085 0.000 0.965 458 S CB -0.202 62.968 63.200 -0.049 0.000 0.785 458 S HN 0.606 nan 8.310 nan 0.000 0.495 459 E N 0.708 120.859 120.200 -0.082 0.000 2.333 459 E HA -0.055 4.294 4.350 -0.000 0.000 0.198 459 E C 1.793 178.355 176.600 -0.064 0.000 1.007 459 E CA 0.882 57.247 56.400 -0.058 0.000 0.845 459 E CB -0.268 29.442 29.700 0.017 0.000 0.766 459 E HN 0.448 nan 8.360 nan 0.000 0.507 460 V N 1.053 120.930 119.914 -0.062 0.000 2.427 460 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 460 V C 1.851 177.892 176.094 -0.088 0.000 1.051 460 V CA 1.807 64.072 62.300 -0.058 0.000 1.048 460 V CB -0.245 31.555 31.823 -0.038 0.000 0.666 460 V HN 0.234 nan 8.190 nan 0.000 0.456 461 E N -0.673 119.445 120.200 -0.136 0.000 2.201 461 E HA 0.200 4.550 4.350 -0.000 0.000 0.193 461 E C 0.488 176.943 176.600 -0.241 0.000 0.957 461 E CA 0.252 56.548 56.400 -0.173 0.000 0.858 461 E CB 0.359 29.949 29.700 -0.184 0.000 0.816 461 E HN 0.421 nan 8.360 nan 0.000 0.475 462 L N 2.907 123.941 121.223 -0.315 0.000 2.556 462 L HA 0.348 4.688 4.340 -0.000 0.000 0.243 462 L C -2.442 174.345 176.870 -0.137 0.000 1.331 462 L CA -1.857 52.787 54.840 -0.326 0.000 0.927 462 L CB 0.891 42.550 42.059 -0.666 0.000 1.219 462 L HN -0.132 nan 8.230 nan 0.000 0.490 463 P HA 0.191 nan 4.420 nan 0.000 0.272 463 P C -2.518 174.808 177.300 0.044 0.000 1.230 463 P CA -1.277 61.819 63.100 -0.008 0.000 0.788 463 P CB -0.183 31.507 31.700 -0.016 0.000 0.949 464 P HA 0.047 nan 4.420 nan 0.000 0.270 464 P C 0.488 177.798 177.300 0.017 0.000 1.227 464 P CA 0.270 63.404 63.100 0.057 0.000 0.788 464 P CB 0.584 32.310 31.700 0.043 0.000 0.926 465 E N -1.212 118.982 120.200 -0.010 0.000 2.482 465 E HA 0.013 4.363 4.350 -0.000 0.000 0.196 465 E C 0.699 177.284 176.600 -0.026 0.000 1.047 465 E CA 0.630 57.020 56.400 -0.016 0.000 0.869 465 E CB 0.185 29.866 29.700 -0.032 0.000 0.836 465 E HN 0.424 nan 8.360 nan 0.000 0.520 466 T N -1.292 113.241 114.554 -0.035 0.000 2.821 466 T HA 0.373 4.723 4.350 -0.000 0.000 0.306 466 T C -0.553 174.122 174.700 -0.040 0.000 1.313 466 T CA -0.679 61.398 62.100 -0.039 0.000 1.012 466 T CB 1.143 69.984 68.868 -0.045 0.000 1.298 466 T HN -0.013 nan 8.240 nan 0.000 0.502 467 L N 1.345 122.545 121.223 -0.038 0.000 2.766 467 L HA 0.331 4.671 4.340 -0.000 0.000 0.242 467 L C 1.000 177.844 176.870 -0.043 0.000 1.136 467 L CA 0.061 54.878 54.840 -0.038 0.000 0.933 467 L CB 0.323 42.365 42.059 -0.029 0.000 1.241 467 L HN 0.572 nan 8.230 nan 0.000 0.522 468 D N 0.721 121.094 120.400 -0.044 0.000 2.371 468 D HA -0.063 4.577 4.640 -0.000 0.000 0.221 468 D C 0.773 177.038 176.300 -0.058 0.000 0.986 468 D CA 0.610 54.584 54.000 -0.042 0.000 0.899 468 D CB 0.217 40.995 40.800 -0.035 0.000 0.902 468 D HN 0.478 nan 8.370 nan 0.000 0.530 469 Q N -0.493 119.258 119.800 -0.082 0.000 2.553 469 Q HA 0.502 4.842 4.340 -0.000 0.000 0.293 469 Q C -3.054 172.836 176.000 -0.183 0.000 1.038 469 Q CA -1.896 53.832 55.803 -0.125 0.000 0.777 469 Q CB 1.599 30.260 28.738 -0.129 0.000 1.487 469 Q HN -0.234 nan 8.270 nan 0.000 0.426 470 P HA -0.004 nan 4.420 nan 0.000 0.269 470 P C 0.030 177.055 177.300 -0.458 0.000 1.215 470 P CA -0.071 62.758 63.100 -0.452 0.000 0.780 470 P CB 0.492 31.653 31.700 -0.898 0.000 0.898 471 N N 1.796 120.337 118.700 -0.265 0.000 2.309 471 N HA -0.226 4.514 4.740 -0.000 0.000 0.182 471 N C 1.552 176.912 175.510 -0.250 0.000 1.018 471 N CA 1.508 54.494 53.050 -0.107 0.000 0.876 471 N CB -1.587 36.962 38.487 0.104 0.000 0.972 471 N HN 0.576 nan 8.380 nan 0.000 0.434 472 Y N 0.810 120.860 120.300 -0.418 0.000 2.574 472 Y HA 0.099 4.648 4.550 -0.000 0.000 0.294 472 Y C 1.820 177.637 175.900 -0.137 0.000 1.142 472 Y CA 0.802 58.450 58.100 -0.753 0.000 1.314 472 Y CB -0.553 37.576 38.460 -0.551 0.000 0.991 472 Y HN 0.381 nan 8.280 nan 0.000 0.555 473 E N 0.210 120.250 120.200 -0.266 0.000 2.330 473 E HA 0.283 4.633 4.350 -0.000 0.000 0.200 473 E C 1.627 178.104 176.600 -0.205 0.000 0.922 473 E CA 0.532 56.854 56.400 -0.129 0.000 0.935 473 E CB -0.192 29.425 29.700 -0.138 0.000 0.917 473 E HN 0.322 nan 8.360 nan 0.000 0.491 474 A N 1.263 123.974 122.820 -0.181 0.000 2.345 474 A HA 0.187 4.507 4.320 -0.000 0.000 0.225 474 A C 0.130 177.641 177.584 -0.121 0.000 1.243 474 A CA -0.640 51.297 52.037 -0.167 0.000 0.875 474 A CB -0.857 18.071 19.000 -0.120 0.000 0.929 474 A HN 0.419 nan 8.150 nan 0.000 0.502 475 Y N -0.658 119.594 120.300 -0.079 0.000 2.805 475 Y HA 0.224 4.773 4.550 -0.000 0.000 0.337 475 Y C 1.205 177.094 175.900 -0.017 0.000 1.252 475 Y CA 0.060 58.167 58.100 0.012 0.000 1.515 475 Y CB 0.187 38.721 38.460 0.124 0.000 1.305 475 Y HN 0.134 nan 8.280 nan 0.000 0.600 476 S N 0.022 115.801 115.700 0.132 0.000 2.503 476 S HA 0.203 4.673 4.470 -0.000 0.000 0.215 476 S C -0.366 174.072 174.600 -0.269 0.000 1.003 476 S CA 0.185 58.324 58.200 -0.101 0.000 0.910 476 S CB -0.383 62.848 63.200 0.051 0.000 0.790 476 S HN 0.853 nan 8.310 nan 0.000 0.514 477 H N 0.786 119.987 119.070 0.218 0.000 3.012 477 H HA 0.667 5.223 4.556 -0.000 0.000 0.367 477 H C -0.528 175.139 175.328 0.565 0.000 1.211 477 H CA -0.939 55.308 56.048 0.332 0.000 1.139 477 H CB 1.454 31.373 29.762 0.261 0.000 1.838 477 H HN 0.356 nan 8.280 nan 0.000 0.550 478 R N 1.509 122.385 120.500 0.626 0.000 2.803 478 R HA 0.575 4.915 4.340 -0.000 0.000 0.276 478 R C -1.234 175.142 176.300 0.127 0.000 0.978 478 R CA -1.182 55.166 56.100 0.412 0.000 0.939 478 R CB 1.535 32.017 30.300 0.304 0.000 1.179 478 R HN 0.374 nan 8.270 nan 0.000 0.472 479 L N 2.284 123.244 121.223 -0.437 0.000 2.455 479 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 479 L C 0.388 176.944 176.870 -0.524 0.000 1.174 479 L CA 0.504 54.755 54.840 -0.982 0.000 0.869 479 L CB 0.578 41.959 42.059 -1.130 0.000 1.130 479 L HN 0.903 nan 8.230 nan 0.000 0.474 480 N N 2.701 121.120 118.700 -0.469 0.000 2.564 480 N HA 0.063 4.803 4.740 -0.000 0.000 0.202 480 N C -1.075 174.364 175.510 -0.118 0.000 1.052 480 N CA 0.442 53.334 53.050 -0.263 0.000 0.872 480 N CB 0.323 38.673 38.487 -0.228 0.000 1.303 480 N HN 0.584 nan 8.380 nan 0.000 0.440 481 Y N -1.059 119.032 120.300 -0.348 0.000 2.677 481 Y HA 0.489 5.039 4.550 -0.000 0.000 0.334 481 Y C -1.567 174.251 175.900 -0.137 0.000 1.196 481 Y CA -0.977 57.005 58.100 -0.196 0.000 1.059 481 Y CB 1.462 39.851 38.460 -0.119 0.000 1.315 481 Y HN -0.274 nan 8.280 nan 0.000 0.455 482 V N 2.635 122.423 119.914 -0.210 0.000 2.577 482 V HA 0.622 4.742 4.120 -0.000 0.000 0.303 482 V C -0.424 175.665 176.094 -0.009 0.000 1.042 482 V CA -0.457 61.818 62.300 -0.043 0.000 0.872 482 V CB 1.476 33.193 31.823 -0.177 0.000 0.998 482 V HN 0.842 nan 8.190 nan 0.000 0.423 483 T N 0.743 115.329 114.554 0.055 0.000 2.919 483 T HA 0.905 5.255 4.350 -0.000 0.000 0.282 483 T C -1.032 173.735 174.700 0.111 0.000 1.020 483 T CA -0.827 61.136 62.100 -0.228 0.000 0.994 483 T CB 2.427 71.336 68.868 0.069 0.000 1.180 483 T HN 0.616 nan 8.240 nan 0.000 0.566 484 F N 0.402 120.307 119.950 -0.076 0.000 2.669 484 F HA 0.557 5.084 4.527 -0.000 0.000 0.315 484 F C -1.825 174.038 175.800 0.106 0.000 1.109 484 F CA -1.321 56.757 58.000 0.129 0.000 1.028 484 F CB 1.261 40.411 39.000 0.249 0.000 1.287 484 F HN 0.888 nan 8.300 nan 0.000 0.452 485 I N 2.953 123.166 120.570 -0.595 0.000 2.603 485 I HA 0.721 4.890 4.170 -0.000 0.000 0.300 485 I C -0.824 174.814 176.117 -0.798 0.000 1.017 485 I CA -0.870 60.092 61.300 -0.563 0.000 1.098 485 I CB 1.776 39.453 38.000 -0.538 0.000 1.279 485 I HN 0.448 nan 8.210 nan 0.000 0.437 486 R N 3.199 123.521 120.500 -0.297 0.000 2.536 486 R HA 0.299 4.639 4.340 -0.000 0.000 0.279 486 R C -0.220 176.051 176.300 -0.047 0.000 1.001 486 R CA -0.707 55.340 56.100 -0.088 0.000 1.027 486 R CB 0.949 31.336 30.300 0.145 0.000 1.096 486 R HN 1.004 nan 8.270 nan 0.000 0.502 487 N N 2.481 121.202 118.700 0.035 0.000 2.637 487 N HA -0.149 4.591 4.740 -0.000 0.000 0.287 487 N C -1.962 173.583 175.510 0.058 0.000 1.130 487 N CA -0.334 52.761 53.050 0.075 0.000 0.764 487 N CB 0.035 38.581 38.487 0.099 0.000 0.935 487 N HN 0.329 nan 8.380 nan 0.000 0.558 488 P HA 0.069 nan 4.420 nan 0.000 0.268 488 P C -0.909 176.356 177.300 -0.058 0.000 1.204 488 P CA 0.312 63.459 63.100 0.079 0.000 0.768 488 P CB 0.558 32.320 31.700 0.105 0.000 0.842 489 D N 2.489 122.890 120.400 0.002 0.000 2.359 489 D HA 0.220 4.860 4.640 -0.000 0.000 0.250 489 D C -0.278 175.854 176.300 -0.279 0.000 1.264 489 D CA 0.216 54.150 54.000 -0.110 0.000 0.911 489 D CB 0.322 41.300 40.800 0.298 0.000 1.056 489 D HN 0.057 nan 8.370 nan 0.000 0.499 490 V N 5.104 124.587 119.914 -0.719 0.000 2.532 490 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 490 V C -2.360 173.394 176.094 -0.568 0.000 1.036 490 V CA -1.496 60.432 62.300 -0.619 0.000 0.876 490 V CB 2.462 33.817 31.823 -0.781 0.000 1.012 490 V HN 0.305 nan 8.190 nan 0.000 0.432 491 P HA 0.533 nan 4.420 nan 0.000 0.282 491 P C -0.992 175.920 177.300 -0.647 0.000 1.259 491 P CA -0.519 62.335 63.100 -0.410 0.000 0.826 491 P CB 2.102 33.348 31.700 -0.757 0.000 1.064 492 V N 2.114 121.733 119.914 -0.491 0.000 2.604 492 V HA 0.421 4.541 4.120 -0.000 0.000 0.305 492 V C -0.285 175.795 176.094 -0.023 0.000 1.043 492 V CA -0.530 61.500 62.300 -0.450 0.000 0.888 492 V CB 1.318 32.797 31.823 -0.574 0.000 0.995 492 V HN 0.400 nan 8.190 nan 0.000 0.429 493 F N 2.861 122.797 119.950 -0.022 0.000 2.421 493 F HA 0.587 5.114 4.527 -0.000 0.000 0.337 493 F C 0.758 176.557 175.800 -0.001 0.000 1.105 493 F CA -0.669 57.300 58.000 -0.052 0.000 1.049 493 F CB 2.107 41.093 39.000 -0.023 0.000 1.139 493 F HN 0.551 nan 8.300 nan 0.000 0.479 494 S N 2.205 117.873 115.700 -0.053 0.000 2.638 494 S HA 0.720 5.190 4.470 -0.000 0.000 0.298 494 S C -1.536 172.848 174.600 -0.361 0.000 1.111 494 S CA -0.577 57.446 58.200 -0.296 0.000 1.027 494 S CB 1.564 64.352 63.200 -0.686 0.000 1.064 494 S HN 0.581 nan 8.310 nan 0.000 0.525 495 W N 0.005 121.214 121.300 -0.151 0.000 3.127 495 W HA 0.566 5.226 4.660 -0.000 0.000 0.330 495 W C -0.531 176.052 176.519 0.107 0.000 1.187 495 W CA -0.516 56.837 57.345 0.014 0.000 1.198 495 W CB 1.677 31.175 29.460 0.065 0.000 1.408 495 W HN 0.916 nan 8.180 nan 0.000 0.529 496 T N -1.997 112.786 114.554 0.382 0.000 2.912 496 T HA 0.386 4.736 4.350 -0.000 0.000 0.288 496 T C -0.620 174.311 174.700 0.386 0.000 1.030 496 T CA -0.679 61.641 62.100 0.366 0.000 1.020 496 T CB 1.780 70.778 68.868 0.216 0.000 1.056 496 T HN 0.512 nan 8.240 nan 0.000 0.480 497 H N 1.153 120.314 119.070 0.152 0.000 2.629 497 H HA 0.227 4.783 4.556 -0.000 0.000 0.357 497 H C 1.343 176.671 175.328 0.001 0.000 1.121 497 H CA -0.311 55.630 56.048 -0.180 0.000 1.406 497 H CB 1.348 31.016 29.762 -0.156 0.000 1.456 497 H HN 0.722 nan 8.280 nan 0.000 0.579 498 R N 2.022 122.230 120.500 -0.485 0.000 2.117 498 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 498 R C 2.299 178.580 176.300 -0.032 0.000 1.143 498 R CA 2.127 58.086 56.100 -0.235 0.000 0.968 498 R CB -0.665 29.360 30.300 -0.459 0.000 0.863 498 R HN 0.673 nan 8.270 nan 0.000 0.444 499 S N -0.941 114.831 115.700 0.121 0.000 2.474 499 S HA 0.079 4.548 4.470 -0.000 0.000 0.235 499 S C 0.876 175.546 174.600 0.117 0.000 0.997 499 S CA 0.387 58.688 58.200 0.170 0.000 0.949 499 S CB -0.213 63.140 63.200 0.255 0.000 0.766 499 S HN 0.374 nan 8.310 nan 0.000 0.517 500 A N 3.225 126.122 122.820 0.128 0.000 2.415 500 A HA 0.475 4.794 4.320 -0.000 0.000 0.309 500 A C 0.186 177.879 177.584 0.181 0.000 1.356 500 A CA -0.660 51.384 52.037 0.013 0.000 0.998 500 A CB -0.181 18.729 19.000 -0.150 0.000 1.145 500 A HN 0.597 nan 8.150 nan 0.000 0.545 501 D N 1.679 122.165 120.400 0.143 0.000 2.383 501 D HA 0.203 4.843 4.640 -0.000 0.000 0.248 501 D C 0.761 177.236 176.300 0.292 0.000 1.170 501 D CA -0.631 53.485 54.000 0.193 0.000 0.977 501 D CB 0.578 41.443 40.800 0.108 0.000 1.120 501 D HN 0.416 nan 8.370 nan 0.000 0.481 502 R N -1.228 119.326 120.500 0.090 0.000 2.276 502 R HA 0.077 4.416 4.340 -0.000 0.000 0.196 502 R C 1.110 177.387 176.300 -0.040 0.000 0.961 502 R CA 0.987 57.006 56.100 -0.134 0.000 1.024 502 R CB -0.021 29.971 30.300 -0.514 0.000 0.940 502 R HN 0.716 nan 8.270 nan 0.000 0.480 503 T N -3.007 111.539 114.554 -0.013 0.000 3.044 503 T HA 0.099 4.449 4.350 -0.000 0.000 0.260 503 T C 0.234 174.913 174.700 -0.035 0.000 1.019 503 T CA -0.564 61.512 62.100 -0.039 0.000 0.921 503 T CB 0.096 68.919 68.868 -0.076 0.000 1.053 503 T HN -0.016 nan 8.240 nan 0.000 0.533 504 N N 2.430 121.127 118.700 -0.005 0.000 2.650 504 N HA -0.116 4.624 4.740 -0.000 0.000 0.272 504 N C -0.775 174.656 175.510 -0.132 0.000 1.058 504 N CA 0.885 53.913 53.050 -0.037 0.000 0.765 504 N CB -1.405 37.074 38.487 -0.014 0.000 0.902 504 N HN 0.515 nan 8.380 nan 0.000 0.551 505 T N 0.488 114.929 114.554 -0.189 0.000 2.832 505 T HA 0.346 4.695 4.350 -0.000 0.000 0.296 505 T C 0.814 175.205 174.700 -0.516 0.000 0.968 505 T CA -0.407 61.459 62.100 -0.391 0.000 1.107 505 T CB 1.422 69.990 68.868 -0.502 0.000 0.916 505 T HN 0.018 nan 8.240 nan 0.000 0.517 506 V N 4.851 124.464 119.914 -0.502 0.000 2.370 506 V HA 0.316 4.436 4.120 -0.000 0.000 0.279 506 V C -0.677 175.172 176.094 -0.409 0.000 1.029 506 V CA -0.886 61.164 62.300 -0.417 0.000 0.870 506 V CB 0.222 31.742 31.823 -0.505 0.000 0.984 506 V HN 0.764 nan 8.190 nan 0.000 0.451 507 Y N 2.359 122.684 120.300 0.041 0.000 2.313 507 Y HA 0.239 4.788 4.550 -0.000 0.000 0.332 507 Y C 1.594 177.625 175.900 0.219 0.000 1.071 507 Y CA -0.266 57.893 58.100 0.099 0.000 1.169 507 Y CB 1.603 40.111 38.460 0.080 0.000 1.192 507 Y HN 0.723 nan 8.280 nan 0.000 0.487 508 S N -0.944 114.950 115.700 0.323 0.000 2.603 508 S HA -0.083 4.386 4.470 -0.000 0.000 0.220 508 S C 0.448 175.138 174.600 0.150 0.000 0.967 508 S CA 0.634 58.992 58.200 0.263 0.000 0.920 508 S CB -0.186 63.112 63.200 0.165 0.000 0.773 508 S HN 0.810 nan 8.310 nan 0.000 0.529 509 D N -0.240 120.271 120.400 0.185 0.000 2.527 509 D HA 0.273 4.913 4.640 -0.000 0.000 0.224 509 D C -0.060 176.299 176.300 0.097 0.000 1.217 509 D CA -0.247 53.816 54.000 0.104 0.000 0.819 509 D CB 0.042 40.887 40.800 0.075 0.000 1.061 509 D HN 0.271 nan 8.370 nan 0.000 0.515 510 K N 0.215 120.709 120.400 0.156 0.000 2.435 510 K HA 0.509 4.829 4.320 -0.000 0.000 0.251 510 K C -0.436 176.268 176.600 0.173 0.000 0.954 510 K CA -0.917 55.435 56.287 0.109 0.000 0.820 510 K CB 2.728 35.226 32.500 -0.003 0.000 1.292 510 K HN -0.122 nan 8.250 nan 0.000 0.436 511 I N 2.316 122.974 120.570 0.146 0.000 2.581 511 I HA -0.009 4.161 4.170 -0.000 0.000 0.285 511 I C -0.098 176.141 176.117 0.203 0.000 1.129 511 I CA 0.540 61.947 61.300 0.180 0.000 1.397 511 I CB 0.389 38.501 38.000 0.188 0.000 1.399 511 I HN 0.454 nan 8.210 nan 0.000 0.537 512 T N 6.782 121.475 114.554 0.232 0.000 2.744 512 T HA 0.271 4.621 4.350 -0.000 0.000 0.291 512 T C -0.180 174.637 174.700 0.194 0.000 0.957 512 T CA -0.630 61.614 62.100 0.240 0.000 1.002 512 T CB 0.804 69.815 68.868 0.239 0.000 0.919 512 T HN 0.482 nan 8.240 nan 0.000 0.468 513 Q N 2.854 122.758 119.800 0.173 0.000 2.314 513 Q HA 0.489 4.829 4.340 -0.000 0.000 0.259 513 Q C -0.513 175.551 176.000 0.108 0.000 0.951 513 Q CA -0.467 55.428 55.803 0.153 0.000 0.909 513 Q CB 1.462 30.279 28.738 0.132 0.000 1.236 513 Q HN 0.585 nan 8.270 nan 0.000 0.444 514 I N 4.339 124.972 120.570 0.106 0.000 2.521 514 I HA 0.285 4.455 4.170 -0.000 0.000 0.277 514 I C -2.443 173.711 176.117 0.061 0.000 1.054 514 I CA -2.302 59.038 61.300 0.067 0.000 1.117 514 I CB 1.264 39.308 38.000 0.073 0.000 1.217 514 I HN 0.240 nan 8.210 nan 0.000 0.469 515 P HA -0.071 nan 4.420 nan 0.000 0.264 515 P C 1.314 178.634 177.300 0.033 0.000 1.183 515 P CA 0.125 63.231 63.100 0.011 0.000 0.763 515 P CB 0.806 32.473 31.700 -0.054 0.000 0.807 516 V N 2.051 122.004 119.914 0.064 0.000 3.041 516 V HA -0.101 4.019 4.120 -0.000 0.000 0.260 516 V C 1.781 177.917 176.094 0.070 0.000 1.105 516 V CA 1.098 63.450 62.300 0.086 0.000 1.125 516 V CB -0.973 30.925 31.823 0.126 0.000 0.730 516 V HN 0.345 nan 8.190 nan 0.000 0.479 517 V N 0.899 120.839 119.914 0.044 0.000 3.026 517 V HA -0.088 4.031 4.120 -0.000 0.000 0.265 517 V C 2.164 178.309 176.094 0.085 0.000 1.121 517 V CA 1.727 64.053 62.300 0.043 0.000 1.142 517 V CB -0.703 31.128 31.823 0.013 0.000 0.730 517 V HN 0.653 nan 8.190 nan 0.000 0.503 518 K N 0.873 121.311 120.400 0.062 0.000 2.665 518 K HA 0.315 4.635 4.320 -0.000 0.000 0.214 518 K C 0.591 177.266 176.600 0.126 0.000 1.032 518 K CA 0.228 56.574 56.287 0.098 0.000 1.198 518 K CB 0.112 32.609 32.500 -0.005 0.000 0.941 518 K HN 0.514 nan 8.250 nan 0.000 0.491 519 A N 1.090 123.979 122.820 0.116 0.000 2.346 519 A HA 0.098 4.418 4.320 -0.000 0.000 0.252 519 A C 1.334 178.989 177.584 0.118 0.000 1.089 519 A CA -0.159 51.942 52.037 0.108 0.000 0.797 519 A CB 0.436 19.494 19.000 0.097 0.000 1.047 519 A HN 0.314 nan 8.150 nan 0.000 0.494 520 S N -0.688 115.073 115.700 0.102 0.000 2.496 520 S HA 0.173 4.643 4.470 -0.000 0.000 0.224 520 S C 0.269 174.922 174.600 0.088 0.000 0.996 520 S CA 0.892 59.151 58.200 0.099 0.000 0.927 520 S CB -0.526 62.723 63.200 0.082 0.000 0.774 520 S HN 0.974 nan 8.310 nan 0.000 0.524 521 D N -1.984 118.465 120.400 0.082 0.000 2.970 521 D HA 0.572 5.212 4.640 -0.000 0.000 0.344 521 D C 0.266 176.609 176.300 0.072 0.000 1.365 521 D CA -0.019 54.023 54.000 0.071 0.000 0.910 521 D CB 0.295 41.132 40.800 0.062 0.000 1.445 521 D HN 0.724 nan 8.370 nan 0.000 0.532 522 G N -0.872 107.967 108.800 0.065 0.000 2.587 522 G HA2 0.140 4.100 3.960 -0.000 0.000 0.212 522 G HA3 0.140 4.100 3.960 -0.000 0.000 0.212 522 G C -2.504 172.429 174.900 0.055 0.000 1.327 522 G CA -0.410 44.732 45.100 0.071 0.000 0.898 522 G HN 0.781 nan 8.290 nan 0.000 0.551 523 P HA 0.380 nan 4.420 nan 0.000 0.271 523 P C -0.177 177.110 177.300 -0.021 0.000 1.218 523 P CA 0.003 63.104 63.100 0.000 0.000 0.780 523 P CB 0.673 32.348 31.700 -0.042 0.000 0.901 524 K N 2.621 123.004 120.400 -0.028 0.000 2.168 524 K HA 0.310 4.630 4.320 -0.000 0.000 0.258 524 K C -2.044 174.512 176.600 -0.074 0.000 1.010 524 K CA -1.438 54.831 56.287 -0.030 0.000 0.929 524 K CB -0.525 31.970 32.500 -0.009 0.000 0.998 524 K HN 0.378 nan 8.250 nan 0.000 0.479 525 P HA -0.033 nan 4.420 nan 0.000 0.269 525 P C -0.707 176.540 177.300 -0.089 0.000 1.215 525 P CA -0.257 62.790 63.100 -0.089 0.000 0.780 525 P CB 0.691 32.342 31.700 -0.082 0.000 0.898 526 S N 0.398 116.039 115.700 -0.098 0.000 2.645 526 S HA 0.543 5.013 4.470 -0.000 0.000 0.266 526 S C 0.243 174.767 174.600 -0.127 0.000 1.258 526 S CA -0.695 57.446 58.200 -0.099 0.000 0.990 526 S CB 0.626 63.767 63.200 -0.099 0.000 0.967 526 S HN 0.492 nan 8.310 nan 0.000 0.556 527 A N 2.357 125.103 122.820 -0.124 0.000 3.037 527 A HA 0.476 4.795 4.320 -0.000 0.000 0.272 527 A C 0.259 177.661 177.584 -0.303 0.000 1.723 527 A CA -0.701 51.250 52.037 -0.144 0.000 1.413 527 A CB -1.786 17.179 19.000 -0.058 0.000 1.112 527 A HN 0.907 nan 8.150 nan 0.000 0.606 528 N N -1.110 117.294 118.700 -0.493 0.000 2.853 528 N HA 0.386 5.126 4.740 -0.000 0.000 0.258 528 N C -0.800 174.149 175.510 -0.935 0.000 1.444 528 N CA -0.798 51.584 53.050 -1.113 0.000 0.837 528 N CB 0.759 38.226 38.487 -1.700 0.000 1.489 528 N HN -0.061 nan 8.380 nan 0.000 0.529 529 E N 0.249 119.639 120.200 -1.350 0.000 2.815 529 E HA 0.220 4.570 4.350 -0.000 0.000 0.211 529 E C 0.422 176.823 176.600 -0.331 0.000 1.004 529 E CA -0.257 55.718 56.400 -0.708 0.000 1.173 529 E CB 0.136 29.454 29.700 -0.636 0.000 1.163 529 E HN 0.447 nan 8.360 nan 0.000 0.449 530 V N 0.350 120.141 119.914 -0.204 0.000 2.594 530 V HA -0.170 3.950 4.120 -0.000 0.000 0.253 530 V C 2.245 178.368 176.094 0.048 0.000 1.069 530 V CA 2.183 64.520 62.300 0.062 0.000 1.082 530 V CB -0.588 31.127 31.823 -0.180 0.000 0.680 530 V HN 0.463 nan 8.190 nan 0.000 0.469 531 G N -1.160 107.578 108.800 -0.103 0.000 2.501 531 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.220 531 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.220 531 G C 1.189 176.068 174.900 -0.035 0.000 1.114 531 G CA 0.896 45.944 45.100 -0.087 0.000 0.757 531 G HN 0.641 nan 8.290 nan 0.000 0.559 532 H N -1.595 117.448 119.070 -0.046 0.000 2.460 532 H HA -0.138 4.418 4.556 -0.000 0.000 0.297 532 H C 1.876 177.035 175.328 -0.281 0.000 1.103 532 H CA 1.237 57.174 56.048 -0.186 0.000 1.292 532 H CB -0.021 29.634 29.762 -0.179 0.000 1.376 532 H HN 0.531 nan 8.280 nan 0.000 0.531 533 Y N -0.501 119.783 120.300 -0.025 0.000 2.523 533 Y HA 0.029 4.579 4.550 -0.000 0.000 0.279 533 Y C 1.640 177.387 175.900 -0.255 0.000 1.139 533 Y CA 0.427 58.443 58.100 -0.140 0.000 1.296 533 Y CB 0.543 38.858 38.460 -0.241 0.000 1.045 533 Y HN 0.118 nan 8.280 nan 0.000 0.538 534 L N -2.577 118.577 121.223 -0.116 0.000 2.749 534 L HA 0.408 4.747 4.340 -0.000 0.000 0.242 534 L C 1.527 178.320 176.870 -0.129 0.000 1.103 534 L CA 0.545 55.282 54.840 -0.173 0.000 0.906 534 L CB 0.457 42.397 42.059 -0.199 0.000 1.228 534 L HN 0.143 nan 8.230 nan 0.000 0.517 535 G N 0.357 109.089 108.800 -0.114 0.000 2.141 535 G HA2 0.000 3.960 3.960 -0.000 0.000 0.242 535 G HA3 0.000 3.960 3.960 -0.000 0.000 0.242 535 G C 0.380 175.241 174.900 -0.065 0.000 0.982 535 G CA -0.054 44.981 45.100 -0.107 0.000 0.662 535 G HN 0.805 nan 8.290 nan 0.000 0.527 536 G N -1.307 107.462 108.800 -0.052 0.000 2.337 536 G HA2 0.465 4.425 3.960 -0.000 0.000 0.298 536 G HA3 0.465 4.425 3.960 -0.000 0.000 0.298 536 G C -1.583 173.289 174.900 -0.047 0.000 1.335 536 G CA -0.109 44.974 45.100 -0.029 0.000 0.875 536 G HN 0.303 nan 8.290 nan 0.000 0.579 537 D N 1.711 122.082 120.400 -0.047 0.000 2.304 537 D HA 0.469 5.109 4.640 -0.000 0.000 0.250 537 D C -1.751 174.534 176.300 -0.026 0.000 1.107 537 D CA -0.446 53.520 54.000 -0.057 0.000 0.885 537 D CB 2.056 42.809 40.800 -0.079 0.000 1.192 537 D HN 0.241 nan 8.370 nan 0.000 0.436 538 P HA 0.330 nan 4.420 nan 0.000 0.281 538 P C -0.426 176.903 177.300 0.048 0.000 1.281 538 P CA -0.606 62.536 63.100 0.069 0.000 0.811 538 P CB 1.473 33.271 31.700 0.163 0.000 1.154 539 I N 0.677 121.265 120.570 0.029 0.000 2.377 539 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 539 I C 0.849 176.789 176.117 -0.295 0.000 0.987 539 I CA -0.305 60.912 61.300 -0.137 0.000 1.185 539 I CB 1.201 39.126 38.000 -0.126 0.000 1.341 539 I HN 0.448 nan 8.210 nan 0.000 0.455 540 S N 5.428 120.807 115.700 -0.535 0.000 2.638 540 S HA 0.837 5.307 4.470 -0.000 0.000 0.302 540 S C -0.972 173.066 174.600 -0.936 0.000 1.096 540 S CA -0.670 57.133 58.200 -0.662 0.000 0.953 540 S CB 2.198 64.944 63.200 -0.757 0.000 1.107 540 S HN 0.301 nan 8.310 nan 0.000 0.503 541 F N 0.380 120.239 119.950 -0.151 0.000 2.561 541 F HA 0.472 4.998 4.527 -0.000 0.000 0.313 541 F C 0.594 176.450 175.800 0.094 0.000 1.126 541 F CA -0.837 57.167 58.000 0.008 0.000 0.918 541 F CB 1.976 41.067 39.000 0.151 0.000 1.199 541 F HN 0.618 nan 8.300 nan 0.000 0.444 542 N N 0.281 119.102 118.700 0.202 0.000 2.280 542 N HA 0.115 4.855 4.740 -0.000 0.000 0.192 542 N C -0.327 175.225 175.510 0.070 0.000 1.109 542 N CA 0.136 53.291 53.050 0.175 0.000 0.855 542 N CB 0.565 39.085 38.487 0.056 0.000 0.974 542 N HN 0.569 nan 8.380 nan 0.000 0.482 543 S N -1.919 113.688 115.700 -0.155 0.000 2.661 543 S HA 0.360 4.830 4.470 -0.000 0.000 0.268 543 S C -0.782 173.370 174.600 -0.747 0.000 1.162 543 S CA -1.031 56.709 58.200 -0.767 0.000 0.817 543 S CB 0.753 63.731 63.200 -0.370 0.000 1.141 543 S HN -0.106 nan 8.310 nan 0.000 0.477 544 S N 0.205 115.457 115.700 -0.746 0.000 2.643 544 S HA 0.488 4.957 4.470 -0.000 0.000 0.310 544 S C 0.539 175.025 174.600 -0.189 0.000 1.253 544 S CA 0.693 58.666 58.200 -0.380 0.000 1.047 544 S CB -0.439 62.617 63.200 -0.239 0.000 0.767 544 S HN 1.506 nan 8.310 nan 0.000 0.498 545 G N 1.323 109.987 108.800 -0.227 0.000 2.322 545 G HA2 0.510 4.470 3.960 -0.000 0.000 0.295 545 G HA3 0.510 4.470 3.960 -0.000 0.000 0.295 545 G C -1.617 173.080 174.900 -0.338 0.000 1.369 545 G CA -0.713 44.308 45.100 -0.132 0.000 0.821 545 G HN 0.686 nan 8.290 nan 0.000 0.536 546 S N -0.636 115.036 115.700 -0.048 0.000 2.569 546 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 546 S C 0.365 175.134 174.600 0.282 0.000 1.111 546 S CA -0.084 58.105 58.200 -0.019 0.000 0.887 546 S CB 1.669 64.879 63.200 0.015 0.000 1.095 546 S HN 1.492 nan 8.310 nan 0.000 0.476 547 T N 0.416 115.148 114.554 0.297 0.000 2.791 547 T HA 0.424 4.774 4.350 -0.000 0.000 0.323 547 T C 0.939 175.737 174.700 0.163 0.000 1.082 547 T CA -0.160 62.104 62.100 0.274 0.000 1.084 547 T CB -0.097 68.898 68.868 0.210 0.000 0.992 547 T HN 0.717 nan 8.240 nan 0.000 0.547 548 G N 0.075 108.954 108.800 0.132 0.000 2.683 548 G HA2 0.427 4.387 3.960 -0.000 0.000 0.260 548 G HA3 0.427 4.387 3.960 -0.000 0.000 0.260 548 G C -0.278 174.675 174.900 0.089 0.000 1.238 548 G CA -0.900 44.259 45.100 0.098 0.000 0.934 548 G HN 0.900 nan 8.290 nan 0.000 0.534 549 V N 0.628 120.586 119.914 0.074 0.000 2.479 549 V HA 0.123 4.243 4.120 -0.000 0.000 0.281 549 V C 0.452 176.590 176.094 0.074 0.000 1.031 549 V CA 0.141 62.481 62.300 0.067 0.000 1.038 549 V CB 0.658 32.514 31.823 0.055 0.000 0.981 549 V HN 0.400 nan 8.190 nan 0.000 0.478 550 I N 6.611 127.226 120.570 0.076 0.000 2.297 550 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 550 I C 0.612 176.764 176.117 0.060 0.000 1.033 550 I CA -0.333 61.012 61.300 0.075 0.000 1.253 550 I CB 0.458 38.507 38.000 0.082 0.000 1.396 550 I HN 0.473 nan 8.210 nan 0.000 0.476 551 R N 7.424 127.956 120.500 0.053 0.000 2.298 551 R HA 0.548 4.888 4.340 -0.000 0.000 0.310 551 R C -0.749 175.550 176.300 -0.002 0.000 1.068 551 R CA -0.360 55.757 56.100 0.029 0.000 0.957 551 R CB 0.783 31.104 30.300 0.036 0.000 1.003 551 R HN 0.563 nan 8.270 nan 0.000 0.454 552 L N 2.372 123.567 121.223 -0.047 0.000 2.341 552 L HA 0.438 4.778 4.340 -0.000 0.000 0.267 552 L C 0.014 176.784 176.870 -0.168 0.000 1.009 552 L CA -0.925 53.839 54.840 -0.126 0.000 0.819 552 L CB 2.056 43.989 42.059 -0.211 0.000 1.323 552 L HN 0.417 nan 8.230 nan 0.000 0.425 553 N N 3.006 121.584 118.700 -0.204 0.000 2.524 553 N HA 0.394 5.134 4.740 -0.000 0.000 0.261 553 N C -1.063 174.276 175.510 -0.284 0.000 0.998 553 N CA -0.470 52.459 53.050 -0.202 0.000 0.915 553 N CB 2.071 40.471 38.487 -0.145 0.000 1.187 553 N HN 0.338 nan 8.380 nan 0.000 0.507 554 I N 1.984 122.372 120.570 -0.302 0.000 2.325 554 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 554 I C 0.674 176.684 176.117 -0.178 0.000 1.019 554 I CA -0.594 60.498 61.300 -0.346 0.000 1.302 554 I CB 0.075 37.817 38.000 -0.430 0.000 1.401 554 I HN 0.156 nan 8.210 nan 0.000 0.485 555 N N 3.574 122.180 118.700 -0.157 0.000 2.453 555 N HA 0.074 4.814 4.740 -0.000 0.000 0.253 555 N C 0.153 175.671 175.510 0.014 0.000 1.252 555 N CA 0.149 53.160 53.050 -0.064 0.000 0.917 555 N CB 0.617 39.076 38.487 -0.046 0.000 1.117 555 N HN 0.482 nan 8.380 nan 0.000 0.442 556 S N 1.705 117.421 115.700 0.027 0.000 2.568 556 S HA 0.185 4.655 4.470 -0.000 0.000 0.282 556 S C -2.070 172.570 174.600 0.066 0.000 1.338 556 S CA -0.589 57.639 58.200 0.047 0.000 1.045 556 S CB 0.281 63.502 63.200 0.035 0.000 0.873 556 S HN 0.450 nan 8.310 nan 0.000 0.516 557 P HA 0.296 nan 4.420 nan 0.000 0.293 557 P C 0.399 177.758 177.300 0.097 0.000 1.291 557 P CA -0.698 62.440 63.100 0.062 0.000 0.867 557 P CB 0.687 32.412 31.700 0.042 0.000 1.074 558 L N 1.635 122.916 121.223 0.098 0.000 2.456 558 L HA -0.096 4.244 4.340 -0.000 0.000 0.224 558 L C 1.987 178.946 176.870 0.148 0.000 1.148 558 L CA 1.877 56.804 54.840 0.145 0.000 0.825 558 L CB -1.394 40.736 42.059 0.119 0.000 0.937 558 L HN 0.498 nan 8.230 nan 0.000 0.450 559 S N -1.496 114.258 115.700 0.091 0.000 2.561 559 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 559 S C 1.014 175.630 174.600 0.027 0.000 0.977 559 S CA -0.229 58.006 58.200 0.059 0.000 0.926 559 S CB -0.211 63.009 63.200 0.033 0.000 0.769 559 S HN 0.365 nan 8.310 nan 0.000 0.533 560 Q N 2.857 122.675 119.800 0.029 0.000 2.300 560 Q HA 0.161 4.501 4.340 -0.000 0.000 0.280 560 Q C -0.557 175.321 176.000 -0.203 0.000 1.033 560 Q CA 0.504 56.241 55.803 -0.110 0.000 0.903 560 Q CB 0.481 29.130 28.738 -0.149 0.000 1.195 560 Q HN 0.228 nan 8.270 nan 0.000 0.386 561 K N 3.894 124.103 120.400 -0.318 0.000 2.172 561 K HA 0.267 4.587 4.320 -0.000 0.000 0.276 561 K C -1.031 175.222 176.600 -0.579 0.000 1.013 561 K CA -0.350 55.747 56.287 -0.316 0.000 0.913 561 K CB 0.927 33.314 32.500 -0.189 0.000 1.055 561 K HN 0.599 nan 8.250 nan 0.000 0.461 562 Y N 0.981 121.034 120.300 -0.413 0.000 2.462 562 Y HA 0.304 4.854 4.550 -0.000 0.000 0.346 562 Y C 0.346 175.963 175.900 -0.470 0.000 0.976 562 Y CA -1.076 56.770 58.100 -0.423 0.000 1.044 562 Y CB 1.860 40.006 38.460 -0.524 0.000 1.230 562 Y HN 0.493 nan 8.280 nan 0.000 0.455 563 R N 1.097 121.578 120.500 -0.031 0.000 2.604 563 R HA 0.878 5.218 4.340 -0.000 0.000 0.287 563 R C -1.827 174.572 176.300 0.165 0.000 0.970 563 R CA -0.800 55.342 56.100 0.070 0.000 0.946 563 R CB 1.435 31.787 30.300 0.087 0.000 1.127 563 R HN 0.426 nan 8.270 nan 0.000 0.473 564 V N 2.900 122.985 119.914 0.286 0.000 2.547 564 V HA 0.521 4.641 4.120 -0.000 0.000 0.299 564 V C -0.120 176.163 176.094 0.316 0.000 1.040 564 V CA -0.849 61.643 62.300 0.320 0.000 0.913 564 V CB 1.435 33.495 31.823 0.395 0.000 0.992 564 V HN 0.916 nan 8.190 nan 0.000 0.449 565 R N 3.382 124.013 120.500 0.219 0.000 2.744 565 R HA 0.852 5.192 4.340 -0.000 0.000 0.279 565 R C -1.921 174.563 176.300 0.306 0.000 0.977 565 R CA -0.860 55.357 56.100 0.194 0.000 0.906 565 R CB 1.921 32.205 30.300 -0.028 0.000 1.197 565 R HN 0.451 nan 8.270 nan 0.000 0.463 566 I N 1.723 122.492 120.570 0.332 0.000 2.418 566 I HA 0.370 4.539 4.170 -0.000 0.000 0.287 566 I C -0.001 176.339 176.117 0.373 0.000 1.008 566 I CA -0.675 60.820 61.300 0.325 0.000 1.104 566 I CB 1.881 40.012 38.000 0.219 0.000 1.264 566 I HN 0.558 nan 8.210 nan 0.000 0.438 567 R N 6.340 126.993 120.500 0.255 0.000 2.267 567 R HA 0.416 4.756 4.340 -0.000 0.000 0.319 567 R C -1.386 174.974 176.300 0.101 0.000 1.067 567 R CA -0.155 55.875 56.100 -0.116 0.000 0.936 567 R CB 0.403 30.552 30.300 -0.251 0.000 1.006 567 R HN 0.653 nan 8.270 nan 0.000 0.452 568 Y N 0.871 121.146 120.300 -0.042 0.000 2.638 568 Y HA 0.632 5.181 4.550 -0.000 0.000 0.339 568 Y C -1.311 174.605 175.900 0.028 0.000 1.084 568 Y CA -1.719 56.416 58.100 0.059 0.000 1.068 568 Y CB 1.002 39.503 38.460 0.069 0.000 1.294 568 Y HN 0.473 nan 8.280 nan 0.000 0.480 569 C N 3.028 122.398 119.300 0.117 0.000 2.431 569 C HA 0.887 5.347 4.460 -0.000 0.000 0.321 569 C C -0.958 174.127 174.990 0.158 0.000 1.202 569 C CA 0.247 59.171 59.018 -0.157 0.000 1.398 569 C CB 0.079 27.417 27.740 -0.670 0.000 2.047 569 C HN 1.125 nan 8.230 nan 0.000 0.465 570 S N 2.989 118.785 115.700 0.161 0.000 2.546 570 S HA 0.572 5.042 4.470 -0.000 0.000 0.274 570 S C 0.066 174.709 174.600 0.071 0.000 1.121 570 S CA 0.055 58.316 58.200 0.102 0.000 0.887 570 S CB 1.652 64.869 63.200 0.028 0.000 1.094 570 S HN 1.400 nan 8.310 nan 0.000 0.474 571 S N 0.439 116.157 115.700 0.031 0.000 2.597 571 S HA 0.431 4.900 4.470 -0.000 0.000 0.224 571 S C 0.472 175.096 174.600 0.040 0.000 0.955 571 S CA 0.153 58.374 58.200 0.036 0.000 0.933 571 S CB -1.022 62.200 63.200 0.037 0.000 0.788 571 S HN 1.691 nan 8.310 nan 0.000 0.488 572 V N -2.354 117.581 119.914 0.036 0.000 3.007 572 V HA 0.592 4.712 4.120 -0.000 0.000 0.311 572 V C -1.292 174.885 176.094 0.138 0.000 1.120 572 V CA -1.273 61.057 62.300 0.049 0.000 0.980 572 V CB 1.519 33.334 31.823 -0.013 0.000 1.033 572 V HN 0.096 nan 8.190 nan 0.000 0.429 573 D N 2.467 122.926 120.400 0.099 0.000 2.357 573 D HA 0.594 5.234 4.640 -0.000 0.000 0.242 573 D C -0.405 175.961 176.300 0.111 0.000 1.153 573 D CA 0.623 54.657 54.000 0.055 0.000 0.918 573 D CB 1.338 42.125 40.800 -0.022 0.000 1.181 573 D HN 0.776 nan 8.370 nan 0.000 0.435 574 F N -2.205 117.682 119.950 -0.105 0.000 2.741 574 F HA 0.370 4.897 4.527 -0.000 0.000 0.311 574 F C -1.330 174.467 175.800 -0.005 0.000 1.149 574 F CA -1.280 56.663 58.000 -0.096 0.000 0.930 574 F CB 1.104 39.903 39.000 -0.335 0.000 1.312 574 F HN -0.116 nan 8.300 nan 0.000 0.450 575 D N 2.025 122.524 120.400 0.165 0.000 2.175 575 D HA 0.553 5.193 4.640 -0.000 0.000 0.248 575 D C -1.147 175.334 176.300 0.302 0.000 1.047 575 D CA -0.017 54.056 54.000 0.123 0.000 0.883 575 D CB 2.339 43.201 40.800 0.103 0.000 1.180 575 D HN 0.773 nan 8.370 nan 0.000 0.438 576 L N 2.320 123.742 121.223 0.331 0.000 2.381 576 L HA 0.350 4.689 4.340 -0.000 0.000 0.274 576 L C -1.259 175.806 176.870 0.325 0.000 0.988 576 L CA -0.673 54.389 54.840 0.371 0.000 0.824 576 L CB 1.375 43.707 42.059 0.454 0.000 1.263 576 L HN 0.306 nan 8.230 nan 0.000 0.410 577 D N 4.699 125.197 120.400 0.164 0.000 2.248 577 D HA 0.366 5.006 4.640 -0.000 0.000 0.246 577 D C -0.726 175.574 176.300 0.001 0.000 1.027 577 D CA -0.521 53.513 54.000 0.057 0.000 0.853 577 D CB 2.685 43.479 40.800 -0.009 0.000 1.243 577 D HN 0.189 nan 8.370 nan 0.000 0.462 578 V N 1.320 121.163 119.914 -0.118 0.000 2.370 578 V HA 0.211 4.330 4.120 -0.000 0.000 0.279 578 V C 0.129 176.095 176.094 -0.214 0.000 1.029 578 V CA -0.769 61.440 62.300 -0.151 0.000 0.870 578 V CB 1.478 33.150 31.823 -0.252 0.000 0.984 578 V HN 0.400 nan 8.190 nan 0.000 0.451 579 V N 5.790 125.616 119.914 -0.147 0.000 2.334 579 V HA 0.501 4.620 4.120 -0.000 0.000 0.281 579 V C 0.215 176.219 176.094 -0.151 0.000 1.016 579 V CA -0.702 61.510 62.300 -0.148 0.000 0.832 579 V CB 1.453 33.232 31.823 -0.074 0.000 0.999 579 V HN 0.787 nan 8.190 nan 0.000 0.439 580 R N 4.015 124.370 120.500 -0.242 0.000 2.229 580 R HA 0.482 4.822 4.340 -0.000 0.000 0.332 580 R C 0.717 176.976 176.300 -0.068 0.000 0.989 580 R CA 0.490 56.480 56.100 -0.183 0.000 0.842 580 R CB 0.938 30.960 30.300 -0.463 0.000 1.119 580 R HN 1.106 nan 8.270 nan 0.000 0.456 581 G N 3.024 111.836 108.800 0.020 0.000 2.350 581 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.298 581 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.298 581 G C 0.881 175.782 174.900 0.002 0.000 1.037 581 G CA 0.771 45.892 45.100 0.035 0.000 1.074 581 G HN 1.329 nan 8.290 nan 0.000 0.511 582 G N -1.502 107.293 108.800 -0.007 0.000 2.328 582 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.256 582 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.256 582 G C 1.070 175.949 174.900 -0.036 0.000 1.014 582 G CA 1.810 46.901 45.100 -0.015 0.000 0.620 582 G HN 2.699 nan 8.290 nan 0.000 0.530 583 T N -0.737 113.782 114.554 -0.058 0.000 2.888 583 T HA 0.634 4.984 4.350 -0.000 0.000 0.284 583 T C 0.132 174.754 174.700 -0.129 0.000 1.017 583 T CA 0.588 62.642 62.100 -0.077 0.000 1.022 583 T CB 1.945 70.775 68.868 -0.063 0.000 1.013 583 T HN 0.395 nan 8.240 nan 0.000 0.465 584 T N 2.823 117.303 114.554 -0.123 0.000 2.870 584 T HA 0.346 4.696 4.350 -0.000 0.000 0.300 584 T C 1.562 176.129 174.700 -0.221 0.000 0.989 584 T CA -0.228 61.773 62.100 -0.164 0.000 1.139 584 T CB 0.912 69.710 68.868 -0.116 0.000 0.920 584 T HN 0.819 nan 8.240 nan 0.000 0.537 585 V N -0.397 119.314 119.914 -0.338 0.000 3.612 585 V HA 0.447 4.567 4.120 -0.000 0.000 0.268 585 V C 0.401 176.283 176.094 -0.354 0.000 1.365 585 V CA -0.121 61.945 62.300 -0.390 0.000 1.044 585 V CB -0.102 31.264 31.823 -0.761 0.000 0.820 585 V HN 0.691 nan 8.190 nan 0.000 0.444 586 N N 1.178 119.617 118.700 -0.436 0.000 2.367 586 N HA 0.463 5.203 4.740 -0.000 0.000 0.278 586 N C -1.876 173.327 175.510 -0.510 0.000 1.117 586 N CA -0.222 52.437 53.050 -0.652 0.000 0.867 586 N CB 2.451 40.124 38.487 -1.356 0.000 1.649 586 N HN 0.374 nan 8.380 nan 0.000 0.479 587 N N -0.540 118.008 118.700 -0.253 0.000 2.406 587 N HA 0.687 5.426 4.740 -0.000 0.000 0.283 587 N C -1.405 174.318 175.510 0.356 0.000 1.074 587 N CA -0.489 52.617 53.050 0.094 0.000 0.916 587 N CB 2.039 40.538 38.487 0.020 0.000 1.639 587 N HN 0.649 nan 8.380 nan 0.000 0.485 588 G N 0.998 110.035 108.800 0.395 0.000 2.623 588 G HA2 0.474 4.433 3.960 -0.000 0.000 0.290 588 G HA3 0.474 4.433 3.960 -0.000 0.000 0.290 588 G C -1.857 172.833 174.900 -0.350 0.000 1.437 588 G CA -0.745 44.339 45.100 -0.026 0.000 0.798 588 G HN 0.539 nan 8.290 nan 0.000 0.488 589 R N -0.462 119.634 120.500 -0.673 0.000 2.532 589 R HA 0.783 5.123 4.340 -0.000 0.000 0.295 589 R C -1.387 174.263 176.300 -1.084 0.000 0.968 589 R CA -0.540 55.185 56.100 -0.625 0.000 0.916 589 R CB 0.957 31.050 30.300 -0.346 0.000 1.124 589 R HN 0.324 nan 8.270 nan 0.000 0.463 590 F N 1.213 120.787 119.950 -0.627 0.000 2.599 590 F HA 0.412 4.938 4.527 -0.000 0.000 0.311 590 F C 0.024 175.498 175.800 -0.543 0.000 1.076 590 F CA -1.102 56.510 58.000 -0.647 0.000 0.937 590 F CB 1.868 40.311 39.000 -0.929 0.000 1.282 590 F HN 0.402 nan 8.300 nan 0.000 0.460 591 N N 1.560 120.251 118.700 -0.015 0.000 2.524 591 N HA 0.183 4.923 4.740 -0.000 0.000 0.283 591 N C -0.657 174.977 175.510 0.207 0.000 1.142 591 N CA -0.657 52.423 53.050 0.050 0.000 0.984 591 N CB 1.383 39.906 38.487 0.060 0.000 1.155 591 N HN 0.602 nan 8.380 nan 0.000 0.467 592 K N -0.972 119.529 120.400 0.168 0.000 2.440 592 K HA 0.049 4.369 4.320 -0.000 0.000 0.270 592 K C 0.467 177.154 176.600 0.145 0.000 0.980 592 K CA -0.020 56.386 56.287 0.197 0.000 0.953 592 K CB 0.320 32.884 32.500 0.107 0.000 0.925 592 K HN 0.565 nan 8.250 nan 0.000 0.497 593 S N -0.093 115.666 115.700 0.099 0.000 2.787 593 S HA 0.332 4.802 4.470 -0.000 0.000 0.255 593 S C -0.098 174.444 174.600 -0.097 0.000 1.051 593 S CA -0.216 57.961 58.200 -0.038 0.000 1.124 593 S CB 0.663 63.758 63.200 -0.174 0.000 1.104 593 S HN 0.804 nan 8.310 nan 0.000 0.623 594 A N 2.338 125.126 122.820 -0.054 0.000 2.515 594 A HA 0.875 5.195 4.320 -0.000 0.000 0.298 594 A C -3.064 174.504 177.584 -0.026 0.000 1.059 594 A CA -1.813 50.178 52.037 -0.077 0.000 0.698 594 A CB 1.249 20.183 19.000 -0.109 0.000 1.289 594 A HN 0.198 nan 8.150 nan 0.000 0.404 595 P HA 0.171 nan 4.420 nan 0.000 0.289 595 P C -0.641 176.663 177.300 0.006 0.000 1.299 595 P CA -0.426 62.671 63.100 -0.005 0.000 0.766 595 P CB 0.591 32.286 31.700 -0.009 0.000 1.226 596 N N -0.242 118.468 118.700 0.015 0.000 2.602 596 N HA 0.326 5.066 4.740 -0.000 0.000 0.238 596 N C -0.509 175.014 175.510 0.023 0.000 1.084 596 N CA -0.394 52.672 53.050 0.027 0.000 0.952 596 N CB -0.597 37.908 38.487 0.031 0.000 1.244 596 N HN 0.207 nan 8.380 nan 0.000 0.512 597 V N -0.042 119.887 119.914 0.026 0.000 3.141 597 V HA 0.862 4.982 4.120 -0.000 0.000 0.312 597 V C 0.881 176.996 176.094 0.034 0.000 1.157 597 V CA -1.141 61.167 62.300 0.012 0.000 1.041 597 V CB 0.980 32.796 31.823 -0.011 0.000 1.071 597 V HN 0.371 nan 8.190 nan 0.000 0.441 598 G N 1.103 109.903 108.800 0.000 0.000 2.544 598 G HA2 0.188 4.148 3.960 -0.000 0.000 0.242 598 G HA3 0.188 4.148 3.960 -0.000 0.000 0.242 598 G C 0.636 175.540 174.900 0.007 0.000 1.247 598 G CA 0.269 45.367 45.100 -0.003 0.000 0.840 598 G HN 1.316 nan 8.290 nan 0.000 0.578 599 W N 1.011 122.350 121.300 0.065 0.000 2.331 599 W HA -0.220 4.440 4.660 -0.000 0.000 0.291 599 W C 1.336 177.882 176.519 0.045 0.000 1.214 599 W CA 1.162 58.545 57.345 0.064 0.000 1.228 599 W CB -0.462 29.054 29.460 0.093 0.000 1.135 599 W HN 0.565 nan 8.180 nan 0.000 0.537 600 Q N 1.172 120.555 119.800 -0.696 0.000 2.291 600 Q HA -0.088 4.252 4.340 -0.000 0.000 0.205 600 Q C 2.292 178.164 176.000 -0.212 0.000 0.970 600 Q CA 2.242 57.625 55.803 -0.700 0.000 0.876 600 Q CB -0.303 27.914 28.738 -0.868 0.000 0.935 600 Q HN 0.194 nan 8.270 nan 0.000 0.455 601 S N -0.329 115.289 115.700 -0.136 0.000 2.517 601 S HA 0.167 4.636 4.470 -0.000 0.000 0.214 601 S C 0.381 174.970 174.600 -0.018 0.000 0.991 601 S CA -0.227 57.936 58.200 -0.062 0.000 0.906 601 S CB 0.214 63.372 63.200 -0.070 0.000 0.789 601 S HN 0.237 nan 8.310 nan 0.000 0.513 602 L N 3.223 124.443 121.223 -0.006 0.000 2.525 602 L HA 0.120 4.460 4.340 -0.000 0.000 0.278 602 L C 0.468 177.292 176.870 -0.077 0.000 1.218 602 L CA 0.357 55.148 54.840 -0.081 0.000 0.878 602 L CB 0.125 42.107 42.059 -0.128 0.000 1.127 602 L HN 0.273 nan 8.230 nan 0.000 0.492 603 K N 1.639 121.914 120.400 -0.208 0.000 2.399 603 K HA 0.201 4.521 4.320 -0.000 0.000 0.260 603 K C 0.572 176.981 176.600 -0.319 0.000 1.049 603 K CA -0.906 55.242 56.287 -0.231 0.000 0.890 603 K CB 0.741 33.263 32.500 0.035 0.000 1.430 603 K HN 0.221 nan 8.250 nan 0.000 0.459 604 Y N 1.734 121.858 120.300 -0.293 0.000 2.096 604 Y HA -0.316 4.233 4.550 -0.000 0.000 0.278 604 Y C 2.002 177.923 175.900 0.034 0.000 1.192 604 Y CA 2.772 60.839 58.100 -0.054 0.000 1.143 604 Y CB 0.026 38.569 38.460 0.138 0.000 0.963 604 Y HN 0.754 nan 8.280 nan 0.000 0.505 605 E N -0.773 119.409 120.200 -0.030 0.000 2.338 605 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 605 E C 1.084 177.542 176.600 -0.237 0.000 1.007 605 E CA 1.025 57.377 56.400 -0.081 0.000 0.849 605 E CB -0.640 29.076 29.700 0.027 0.000 0.774 605 E HN 0.595 nan 8.360 nan 0.000 0.506 606 N N 0.421 118.903 118.700 -0.363 0.000 2.461 606 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 606 N C -0.463 174.580 175.510 -0.778 0.000 1.134 606 N CA 0.253 52.996 53.050 -0.512 0.000 0.878 606 N CB -0.044 38.108 38.487 -0.560 0.000 0.972 606 N HN 0.107 nan 8.380 nan 0.000 0.456 607 F N 1.055 120.704 119.950 -0.501 0.000 2.408 607 F HA 0.392 4.919 4.527 -0.000 0.000 0.344 607 F C 0.721 176.151 175.800 -0.617 0.000 1.112 607 F CA -0.464 57.191 58.000 -0.574 0.000 1.096 607 F CB 1.257 39.901 39.000 -0.592 0.000 1.129 607 F HN -0.411 nan 8.300 nan 0.000 0.486 608 K N 1.961 121.977 120.400 -0.641 0.000 2.466 608 K HA 0.587 4.907 4.320 -0.000 0.000 0.260 608 K C -1.632 174.554 176.600 -0.689 0.000 1.011 608 K CA -0.930 54.983 56.287 -0.624 0.000 0.871 608 K CB 2.116 34.274 32.500 -0.571 0.000 1.404 608 K HN 0.266 nan 8.250 nan 0.000 0.450 609 F N 1.060 120.915 119.950 -0.158 0.000 2.421 609 F HA 0.423 4.950 4.527 -0.000 0.000 0.337 609 F C 0.281 176.113 175.800 0.055 0.000 1.105 609 F CA -0.638 57.349 58.000 -0.022 0.000 1.049 609 F CB 1.697 40.681 39.000 -0.027 0.000 1.139 609 F HN 0.460 nan 8.300 nan 0.000 0.479 610 A N 2.637 125.562 122.820 0.175 0.000 2.391 610 A HA 0.496 4.816 4.320 -0.000 0.000 0.316 610 A C -0.118 177.198 177.584 -0.446 0.000 1.381 610 A CA -0.266 51.355 52.037 -0.693 0.000 0.998 610 A CB 0.087 18.170 19.000 -1.529 0.000 1.147 610 A HN 0.559 nan 8.150 nan 0.000 0.545 611 S N 2.904 118.468 115.700 -0.226 0.000 2.530 611 S HA 0.702 5.172 4.470 -0.000 0.000 0.322 611 S C -0.781 173.793 174.600 -0.043 0.000 1.085 611 S CA -0.413 57.749 58.200 -0.063 0.000 1.096 611 S CB -0.092 63.104 63.200 -0.007 0.000 0.988 611 S HN 0.413 nan 8.310 nan 0.000 0.466 612 F N 2.315 122.361 119.950 0.160 0.000 2.399 612 F HA 0.356 4.883 4.527 -0.000 0.000 0.328 612 F C 1.694 177.560 175.800 0.109 0.000 1.084 612 F CA -0.382 57.722 58.000 0.173 0.000 1.053 612 F CB 1.903 41.013 39.000 0.183 0.000 1.209 612 F HN 0.650 nan 8.300 nan 0.000 0.502 613 S N -1.350 114.536 115.700 0.310 0.000 2.497 613 S HA 0.051 4.520 4.470 -0.000 0.000 0.218 613 S C 0.497 175.184 174.600 0.145 0.000 1.023 613 S CA -0.098 58.206 58.200 0.172 0.000 0.913 613 S CB 0.019 63.285 63.200 0.110 0.000 0.800 613 S HN 0.540 nan 8.310 nan 0.000 0.505 614 T N 5.380 120.037 114.554 0.171 0.000 2.749 614 T HA 0.442 4.792 4.350 -0.000 0.000 0.295 614 T C -2.480 172.296 174.700 0.127 0.000 0.936 614 T CA -1.043 61.125 62.100 0.114 0.000 1.060 614 T CB 1.139 70.060 68.868 0.088 0.000 0.904 614 T HN 0.172 nan 8.240 nan 0.000 0.500 615 P HA 0.658 nan 4.420 nan 0.000 0.281 615 P C -0.946 176.427 177.300 0.122 0.000 1.281 615 P CA -0.715 62.414 63.100 0.049 0.000 0.811 615 P CB 0.652 32.328 31.700 -0.039 0.000 1.154 616 F N -3.383 116.542 119.950 -0.042 0.000 2.745 616 F HA 0.797 5.323 4.527 -0.000 0.000 0.316 616 F C -1.040 174.716 175.800 -0.074 0.000 1.155 616 F CA -0.937 57.012 58.000 -0.085 0.000 0.937 616 F CB 0.860 39.767 39.000 -0.155 0.000 1.361 616 F HN 0.391 nan 8.300 nan 0.000 0.472 617 T N -1.308 113.307 114.554 0.102 0.000 2.908 617 T HA 0.683 5.033 4.350 -0.000 0.000 0.290 617 T C -0.965 173.802 174.700 0.110 0.000 1.034 617 T CA -0.612 61.521 62.100 0.056 0.000 1.010 617 T CB 1.428 70.355 68.868 0.099 0.000 1.068 617 T HN 0.497 nan 8.240 nan 0.000 0.481 618 F N 1.928 122.034 119.950 0.259 0.000 2.410 618 F HA 0.331 4.858 4.527 -0.000 0.000 0.334 618 F C 1.819 177.697 175.800 0.130 0.000 1.134 618 F CA -0.661 57.460 58.000 0.201 0.000 1.227 618 F CB 0.623 39.696 39.000 0.121 0.000 1.194 618 F HN 0.546 nan 8.300 nan 0.000 0.571 619 N N 0.447 119.318 118.700 0.284 0.000 2.171 619 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 619 N C 0.220 175.816 175.510 0.143 0.000 1.021 619 N CA 0.854 54.005 53.050 0.168 0.000 0.854 619 N CB -0.054 38.504 38.487 0.119 0.000 0.994 619 N HN 0.639 nan 8.380 nan 0.000 0.426 620 Q N -2.018 117.871 119.800 0.148 0.000 2.737 620 Q HA 0.563 4.902 4.340 -0.000 0.000 0.307 620 Q C -0.092 175.937 176.000 0.049 0.000 0.905 620 Q CA -0.514 55.341 55.803 0.087 0.000 0.753 620 Q CB 0.847 29.619 28.738 0.057 0.000 1.463 620 Q HN -0.091 nan 8.270 nan 0.000 0.455 621 A N 0.070 122.897 122.820 0.010 0.000 1.969 621 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 621 A C 0.612 178.151 177.584 -0.075 0.000 1.169 621 A CA 1.397 53.410 52.037 -0.039 0.000 0.635 621 A CB -0.199 18.784 19.000 -0.028 0.000 0.810 621 A HN 0.564 nan 8.150 nan 0.000 0.445 622 Q N 0.645 120.421 119.800 -0.039 0.000 2.430 622 Q HA 0.403 4.743 4.340 -0.000 0.000 0.245 622 Q C -1.022 174.969 176.000 -0.015 0.000 1.021 622 Q CA -0.239 55.539 55.803 -0.041 0.000 0.867 622 Q CB 1.180 29.906 28.738 -0.019 0.000 1.210 622 Q HN 0.435 nan 8.270 nan 0.000 0.487 623 D N 0.250 120.627 120.400 -0.038 0.000 2.689 623 D HA 0.551 5.191 4.640 -0.000 0.000 0.255 623 D C -0.687 175.640 176.300 0.044 0.000 1.113 623 D CA -0.272 53.753 54.000 0.042 0.000 1.115 623 D CB 1.958 42.844 40.800 0.144 0.000 1.334 623 D HN 0.474 nan 8.370 nan 0.000 0.621 624 T N -1.343 113.280 114.554 0.114 0.000 2.903 624 T HA 0.649 4.998 4.350 -0.000 0.000 0.299 624 T C -1.302 173.485 174.700 0.144 0.000 1.093 624 T CA -0.757 61.401 62.100 0.097 0.000 1.002 624 T CB 1.507 70.414 68.868 0.066 0.000 1.127 624 T HN 0.138 nan 8.240 nan 0.000 0.488 625 L N 1.226 122.521 121.223 0.120 0.000 2.401 625 L HA 0.764 5.104 4.340 -0.000 0.000 0.266 625 L C -0.539 176.375 176.870 0.074 0.000 0.991 625 L CA -0.666 54.241 54.840 0.112 0.000 0.818 625 L CB 1.994 44.155 42.059 0.169 0.000 1.321 625 L HN 0.876 nan 8.230 nan 0.000 0.413 626 K N 3.806 124.232 120.400 0.044 0.000 2.501 626 K HA 0.574 4.894 4.320 -0.000 0.000 0.252 626 K C -1.679 174.943 176.600 0.036 0.000 0.934 626 K CA -0.658 55.656 56.287 0.046 0.000 0.797 626 K CB 2.180 34.698 32.500 0.030 0.000 1.270 626 K HN 0.388 nan 8.250 nan 0.000 0.431 627 I N 2.501 123.107 120.570 0.060 0.000 2.378 627 I HA 0.295 4.464 4.170 -0.000 0.000 0.291 627 I C -0.061 176.053 176.117 -0.005 0.000 0.992 627 I CA -0.586 60.745 61.300 0.051 0.000 1.154 627 I CB 1.392 39.452 38.000 0.099 0.000 1.315 627 I HN 0.411 nan 8.210 nan 0.000 0.448 628 S N 5.303 120.988 115.700 -0.025 0.000 2.501 628 S HA 0.761 5.231 4.470 -0.000 0.000 0.301 628 S C -0.167 174.387 174.600 -0.076 0.000 1.096 628 S CA -0.695 57.451 58.200 -0.090 0.000 1.063 628 S CB 2.535 65.706 63.200 -0.049 0.000 1.042 628 S HN 0.481 nan 8.310 nan 0.000 0.494 629 V N 1.312 121.116 119.914 -0.185 0.000 2.680 629 V HA 0.967 5.087 4.120 -0.000 0.000 0.309 629 V C -0.541 175.627 176.094 0.123 0.000 1.052 629 V CA -0.916 61.382 62.300 -0.003 0.000 0.908 629 V CB 1.667 33.391 31.823 -0.164 0.000 1.001 629 V HN 1.053 nan 8.190 nan 0.000 0.431 630 R N 2.231 122.904 120.500 0.288 0.000 2.756 630 R HA 0.465 4.805 4.340 -0.000 0.000 0.273 630 R C -0.853 175.651 176.300 0.340 0.000 1.030 630 R CA -0.416 55.820 56.100 0.227 0.000 0.887 630 R CB 0.386 30.721 30.300 0.058 0.000 1.274 630 R HN 0.769 nan 8.270 nan 0.000 0.461 631 N N 0.207 119.032 118.700 0.208 0.000 2.714 631 N HA -0.166 4.574 4.740 -0.000 0.000 0.253 631 N C -0.962 174.757 175.510 0.349 0.000 1.024 631 N CA 0.976 54.145 53.050 0.199 0.000 0.726 631 N CB -1.565 36.994 38.487 0.119 0.000 0.908 631 N HN 0.466 nan 8.380 nan 0.000 0.542 632 F N 0.471 120.462 119.950 0.067 0.000 2.578 632 F HA -0.085 4.441 4.527 -0.000 0.000 0.376 632 F C 2.211 178.050 175.800 0.066 0.000 1.085 632 F CA -0.115 57.939 58.000 0.090 0.000 1.260 632 F CB 0.521 39.556 39.000 0.058 0.000 1.095 632 F HN 0.186 nan 8.300 nan 0.000 0.573 633 S N 0.895 116.721 115.700 0.210 0.000 2.420 633 S HA -0.164 4.306 4.470 -0.000 0.000 0.237 633 S C 0.627 175.310 174.600 0.139 0.000 1.023 633 S CA 0.882 59.161 58.200 0.132 0.000 0.991 633 S CB -0.104 63.147 63.200 0.083 0.000 0.792 633 S HN 0.506 nan 8.310 nan 0.000 0.488 634 S N -0.118 115.699 115.700 0.196 0.000 2.533 634 S HA 0.582 5.052 4.470 -0.000 0.000 0.271 634 S C -0.443 174.303 174.600 0.244 0.000 1.143 634 S CA -0.897 57.404 58.200 0.168 0.000 0.891 634 S CB 1.259 64.528 63.200 0.115 0.000 1.105 634 S HN 0.544 nan 8.310 nan 0.000 0.468 635 I N 2.256 122.915 120.570 0.148 0.000 3.762 635 I HA 0.586 4.756 4.170 -0.000 0.000 0.333 635 I C -0.318 175.842 176.117 0.072 0.000 1.566 635 I CA -0.542 60.823 61.300 0.108 0.000 1.129 635 I CB 0.524 38.502 38.000 -0.036 0.000 1.218 635 I HN 0.341 nan 8.210 nan 0.000 0.456 636 V N -2.933 117.029 119.914 0.080 0.000 3.160 636 V HA 0.934 5.053 4.120 -0.000 0.000 0.310 636 V C 0.826 176.956 176.094 0.060 0.000 1.181 636 V CA -0.216 62.117 62.300 0.055 0.000 1.047 636 V CB 0.951 32.799 31.823 0.041 0.000 1.068 636 V HN 0.390 nan 8.190 nan 0.000 0.441 637 G N -0.150 108.678 108.800 0.047 0.000 2.179 637 G HA2 0.156 4.116 3.960 -0.000 0.000 0.257 637 G HA3 0.156 4.116 3.960 -0.000 0.000 0.257 637 G C 1.555 176.486 174.900 0.052 0.000 1.010 637 G CA 0.951 46.078 45.100 0.045 0.000 0.736 637 G HN 2.956 nan 8.290 nan 0.000 0.513 638 G N -1.603 107.231 108.800 0.057 0.000 2.153 638 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.252 638 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.252 638 G C 0.617 175.560 174.900 0.072 0.000 0.994 638 G CA 0.793 45.932 45.100 0.065 0.000 0.698 638 G HN 1.798 nan 8.290 nan 0.000 0.521 639 S N -1.114 114.637 115.700 0.085 0.000 2.573 639 S HA 0.372 4.842 4.470 -0.000 0.000 0.297 639 S C 0.290 174.952 174.600 0.104 0.000 1.280 639 S CA 0.744 59.005 58.200 0.102 0.000 1.061 639 S CB 1.905 65.199 63.200 0.156 0.000 0.812 639 S HN 1.394 nan 8.310 nan 0.000 0.500 640 V N 4.608 124.539 119.914 0.029 0.000 2.924 640 V HA 0.471 4.591 4.120 -0.000 0.000 0.300 640 V C -1.334 174.644 176.094 -0.194 0.000 1.227 640 V CA -0.590 61.671 62.300 -0.065 0.000 0.954 640 V CB 2.243 33.980 31.823 -0.144 0.000 1.055 640 V HN 0.608 nan 8.190 nan 0.000 0.429 641 V N 7.103 126.863 119.914 -0.257 0.000 2.384 641 V HA 0.520 4.639 4.120 -0.000 0.000 0.287 641 V C -1.012 174.941 176.094 -0.235 0.000 1.020 641 V CA -0.627 61.471 62.300 -0.336 0.000 0.850 641 V CB 1.508 32.923 31.823 -0.679 0.000 0.987 641 V HN 0.792 nan 8.190 nan 0.000 0.436 642 Y N 4.626 124.920 120.300 -0.010 0.000 2.326 642 Y HA 0.584 5.134 4.550 -0.000 0.000 0.337 642 Y C 0.353 176.323 175.900 0.117 0.000 1.023 642 Y CA -0.490 57.641 58.100 0.052 0.000 1.143 642 Y CB 1.396 39.901 38.460 0.075 0.000 1.183 642 Y HN 0.449 nan 8.280 nan 0.000 0.485 643 I N 3.285 124.025 120.570 0.283 0.000 2.339 643 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 643 I C 0.205 176.451 176.117 0.215 0.000 0.994 643 I CA -0.280 61.176 61.300 0.260 0.000 1.191 643 I CB 1.706 39.871 38.000 0.274 0.000 1.343 643 I HN 0.697 nan 8.210 nan 0.000 0.458 644 D N 5.978 126.490 120.400 0.188 0.000 2.320 644 D HA 0.070 4.709 4.640 -0.000 0.000 0.228 644 D C 0.386 176.741 176.300 0.092 0.000 0.978 644 D CA 1.064 55.127 54.000 0.106 0.000 0.905 644 D CB 0.609 41.428 40.800 0.032 0.000 1.051 644 D HN 0.613 nan 8.370 nan 0.000 0.471 645 R N -0.726 119.846 120.500 0.120 0.000 2.663 645 R HA 0.495 4.834 4.340 -0.000 0.000 0.267 645 R C -1.032 175.383 176.300 0.193 0.000 1.038 645 R CA -0.803 55.378 56.100 0.135 0.000 0.886 645 R CB 0.651 31.022 30.300 0.117 0.000 1.249 645 R HN -0.057 nan 8.270 nan 0.000 0.463 646 I N 1.399 122.080 120.570 0.186 0.000 2.472 646 I HA 0.225 4.394 4.170 -0.000 0.000 0.290 646 I C -0.035 176.216 176.117 0.224 0.000 1.016 646 I CA -0.287 61.142 61.300 0.214 0.000 1.348 646 I CB 1.447 39.560 38.000 0.188 0.000 1.417 646 I HN 0.538 nan 8.210 nan 0.000 0.521 647 E N 6.209 126.553 120.200 0.241 0.000 2.210 647 E HA 0.508 4.858 4.350 -0.000 0.000 0.266 647 E C -1.360 175.353 176.600 0.188 0.000 0.883 647 E CA -0.727 55.799 56.400 0.210 0.000 0.761 647 E CB 2.454 32.271 29.700 0.196 0.000 1.156 647 E HN 0.389 nan 8.360 nan 0.000 0.412 648 L N 4.298 125.634 121.223 0.189 0.000 2.272 648 L HA 0.473 4.813 4.340 -0.000 0.000 0.289 648 L C -0.583 176.435 176.870 0.246 0.000 1.032 648 L CA -0.442 54.524 54.840 0.210 0.000 0.810 648 L CB 0.793 42.939 42.059 0.144 0.000 1.205 648 L HN 0.415 nan 8.230 nan 0.000 0.422 649 I N 5.188 125.889 120.570 0.218 0.000 2.355 649 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 649 I C -2.216 173.969 176.117 0.113 0.000 0.999 649 I CA -2.007 59.380 61.300 0.146 0.000 1.163 649 I CB 1.379 39.407 38.000 0.046 0.000 1.316 649 I HN 0.311 nan 8.210 nan 0.000 0.454 650 P HA 0.106 nan 4.420 nan 0.000 0.268 650 P C -0.869 176.328 177.300 -0.172 0.000 1.204 650 P CA -0.102 62.861 63.100 -0.229 0.000 0.768 650 P CB 0.696 32.298 31.700 -0.162 0.000 0.842 651 V N 3.329 123.102 119.914 -0.235 0.000 2.495 651 V HA 0.344 4.464 4.120 -0.000 0.000 0.298 651 V C 0.441 176.459 176.094 -0.127 0.000 1.031 651 V CA -0.928 61.289 62.300 -0.139 0.000 0.871 651 V CB 1.470 33.224 31.823 -0.115 0.000 0.988 651 V HN 0.425 nan 8.190 nan 0.000 0.432 652 N N 0.000 118.651 118.700 -0.082 0.000 1.763 652 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 652 N CA 0.000 53.012 53.050 -0.064 0.000 0.885 652 N CB 0.000 38.461 38.487 -0.043 0.000 1.341 652 N HN 0.000 nan 8.380 nan 0.000 0.667