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 2wwy_1_A DATA FIRST_RESID 63 DATA SEQUENCE SSPAAWNKED FPWSGKVKDI LQNVFKLEKF RPLQLETINV TMAGKEVFLV DATA SEQUENCE MPTGGGKSLC YQLPALCSDG FTLVICPLIS LMEDQLMVLK QLGISATMLN DATA SEQUENCE ASSSKEHVKW VHAEMVNKNS ELKLIYVTPE KIAKSKMFMS RLEKAYEARR DATA SEQUENCE FTRIAVDEVH CCSQWGHDFR PDYKALGILK RQFPNASLIG LTATATNHVL DATA SEQUENCE TDAQKILCIE KCFTFTASFN RPNLYYEVRQ KPSNTEDFIE DIVKLINGRY DATA SEQUENCE KGQSGIIYCF SQKDSEQVTV SLQNLGIHAG AYHANLEPED KTTVHRKWSA DATA SEQUENCE NEIQVVVATV AFGMGIDKPD VRFVIHHSMS KSMENYYQES GRAGRDDMKA DATA SEQUENCE DCILYYGFGD IFRISSMVVM ENVGQQKLYE MVSYCQNISK CRRVLMAQHF DATA SEQUENCE DEVWNSEACN KMCDNCCKDS AFERKNITEY CRDLIKILKQ AEELNEKLTP DATA SEQUENCE LKLIDSWMGK GAAKLRVAGV VAPTLPREDL EKIIAHFLIQ QYLKEDYSFT DATA SEQUENCE AYATISYLKI GPKANLLNNE AHAITMQVTK 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 63 S HA 0.000 nan 4.470 nan 0.000 0.327 63 S C 0.000 174.714 174.600 0.189 0.000 1.055 63 S CA 0.000 58.341 58.200 0.234 0.000 1.107 63 S CB 0.000 63.306 63.200 0.177 0.000 0.593 64 S N 3.911 119.710 115.700 0.165 0.000 2.667 64 S HA 0.501 4.971 4.470 0.000 0.000 0.304 64 S C -1.686 172.916 174.600 0.003 0.000 1.135 64 S CA -1.059 57.185 58.200 0.075 0.000 1.125 64 S CB 1.806 65.060 63.200 0.090 0.000 0.996 64 S HN 0.287 nan 8.310 nan 0.000 0.474 65 P HA -0.061 nan 4.420 nan 0.000 0.215 65 P C 1.470 178.675 177.300 -0.159 0.000 1.157 65 P CA 0.902 63.647 63.100 -0.593 0.000 0.859 65 P CB 0.085 31.324 31.700 -0.768 0.000 0.786 66 A N 1.168 123.929 122.820 -0.097 0.000 1.927 66 A HA -0.210 4.111 4.320 0.000 0.000 0.220 66 A C 2.535 180.132 177.584 0.020 0.000 1.185 66 A CA 2.761 54.779 52.037 -0.031 0.000 0.639 66 A CB -1.711 17.272 19.000 -0.028 0.000 0.820 66 A HN 0.253 nan 8.150 nan 0.000 0.451 67 A N -2.173 120.670 122.820 0.038 0.000 2.042 67 A HA -0.183 4.137 4.320 0.000 0.000 0.222 67 A C 1.466 178.996 177.584 -0.090 0.000 1.167 67 A CA 1.428 53.451 52.037 -0.023 0.000 0.649 67 A CB -0.755 18.236 19.000 -0.015 0.000 0.809 67 A HN 0.765 nan 8.150 nan 0.000 0.457 68 W N -0.748 120.545 121.300 -0.012 0.000 3.015 68 W HA 0.363 5.023 4.660 0.001 0.000 0.429 68 W C 0.412 176.951 176.519 0.032 0.000 0.976 68 W CA -0.552 56.824 57.345 0.052 0.000 2.086 68 W CB 0.100 29.560 29.460 0.001 0.000 1.125 68 W HN 0.164 nan 8.180 nan 0.000 0.721 69 N N 1.893 120.689 118.700 0.161 0.000 3.114 69 N HA 0.180 4.920 4.740 0.000 0.000 0.289 69 N C -0.339 175.236 175.510 0.109 0.000 1.519 69 N CA 0.147 53.257 53.050 0.101 0.000 1.026 69 N CB -0.128 38.383 38.487 0.039 0.000 1.306 69 N HN 0.096 nan 8.380 nan 0.000 0.495 70 K N -0.208 120.304 120.400 0.186 0.000 2.054 70 K HA 0.484 4.805 4.320 0.000 0.000 0.248 70 K C -0.512 176.224 176.600 0.226 0.000 1.019 70 K CA -0.711 55.675 56.287 0.166 0.000 0.855 70 K CB 1.298 33.868 32.500 0.115 0.000 1.473 70 K HN -0.028 nan 8.250 nan 0.000 0.483 71 E N 0.925 121.233 120.200 0.179 0.000 3.957 71 E HA 0.017 4.367 4.350 0.000 0.000 0.172 71 E C -1.409 175.237 176.600 0.076 0.000 1.032 71 E CA 0.128 56.645 56.400 0.195 0.000 1.491 71 E CB 0.413 30.203 29.700 0.151 0.000 1.151 71 E HN 0.586 nan 8.360 nan 0.000 0.410 72 D N -0.539 119.828 120.400 -0.054 0.000 2.559 72 D HA 0.097 4.737 4.640 0.000 0.000 0.234 72 D C -0.203 175.808 176.300 -0.481 0.000 1.226 72 D CA -0.376 53.473 54.000 -0.252 0.000 0.830 72 D CB -0.272 40.359 40.800 -0.282 0.000 1.028 72 D HN -0.079 nan 8.370 nan 0.000 0.492 73 F N 0.367 120.038 119.950 -0.464 0.000 2.379 73 F HA 0.371 4.898 4.527 0.000 0.000 0.332 73 F C -1.056 174.272 175.800 -0.788 0.000 1.096 73 F CA -2.577 54.896 58.000 -0.878 0.000 1.105 73 F CB 0.836 38.791 39.000 -1.741 0.000 1.189 73 F HN -0.255 nan 8.300 nan 0.000 0.515 74 P HA -0.260 nan 4.420 nan 0.000 0.216 74 P C 1.429 178.698 177.300 -0.052 0.000 1.167 74 P CA 2.359 65.373 63.100 -0.144 0.000 0.933 74 P CB -0.266 31.452 31.700 0.029 0.000 0.793 75 W N -0.643 120.750 121.300 0.155 0.000 2.387 75 W HA -0.081 4.580 4.660 0.001 0.000 0.272 75 W C 1.745 178.342 176.519 0.131 0.000 1.224 75 W CA 0.990 58.409 57.345 0.123 0.000 1.210 75 W CB -2.334 27.188 29.460 0.103 0.000 1.125 75 W HN -0.182 nan 8.180 nan 0.000 0.572 76 S N 1.398 117.063 115.700 -0.058 0.000 2.400 76 S HA -0.249 4.221 4.470 0.000 0.000 0.234 76 S C 2.178 176.870 174.600 0.154 0.000 1.049 76 S CA 2.081 60.336 58.200 0.092 0.000 1.039 76 S CB -1.191 62.025 63.200 0.026 0.000 0.856 76 S HN 0.658 nan 8.310 nan 0.000 0.465 77 G N 1.132 110.001 108.800 0.115 0.000 2.434 77 G HA2 -0.214 3.746 3.960 0.000 0.000 0.214 77 G HA3 -0.214 3.746 3.960 0.000 0.000 0.214 77 G C 1.277 176.255 174.900 0.131 0.000 1.202 77 G CA 0.958 46.122 45.100 0.107 0.000 0.788 77 G HN 0.470 nan 8.290 nan 0.000 0.539 78 K N -0.006 120.487 120.400 0.154 0.000 2.147 78 K HA -0.035 4.285 4.320 0.000 0.000 0.205 78 K C 2.600 179.304 176.600 0.174 0.000 1.049 78 K CA 0.981 57.358 56.287 0.149 0.000 0.936 78 K CB -0.182 32.410 32.500 0.153 0.000 0.722 78 K HN 0.213 nan 8.250 nan 0.000 0.446 79 V N 1.482 121.534 119.914 0.230 0.000 2.237 79 V HA -0.295 3.825 4.120 0.000 0.000 0.245 79 V C 2.805 179.036 176.094 0.228 0.000 1.046 79 V CA 2.635 65.092 62.300 0.261 0.000 1.007 79 V CB -0.898 31.135 31.823 0.349 0.000 0.638 79 V HN 0.528 nan 8.190 nan 0.000 0.445 80 K N -0.065 120.456 120.400 0.202 0.000 2.103 80 K HA -0.326 3.994 4.320 0.000 0.000 0.207 80 K C 1.784 178.442 176.600 0.096 0.000 1.048 80 K CA 2.321 58.689 56.287 0.136 0.000 0.930 80 K CB -1.211 31.358 32.500 0.116 0.000 0.716 80 K HN 0.670 nan 8.250 nan 0.000 0.444 81 D N 0.120 120.581 120.400 0.102 0.000 2.092 81 D HA -0.115 4.525 4.640 0.000 0.000 0.193 81 D C 1.750 178.100 176.300 0.083 0.000 0.994 81 D CA 1.641 55.689 54.000 0.079 0.000 0.828 81 D CB -0.047 40.801 40.800 0.079 0.000 0.963 81 D HN 0.503 nan 8.370 nan 0.000 0.450 82 I N -0.214 120.428 120.570 0.120 0.000 2.353 82 I HA -0.149 4.022 4.170 0.000 0.000 0.248 82 I C 2.228 178.473 176.117 0.213 0.000 1.119 82 I CA 0.188 61.571 61.300 0.138 0.000 1.417 82 I CB -0.196 37.914 38.000 0.182 0.000 1.078 82 I HN 0.170 nan 8.210 nan 0.000 0.421 83 L N 0.938 122.289 121.223 0.213 0.000 1.970 83 L HA -0.268 4.073 4.340 0.000 0.000 0.212 83 L C 2.535 179.485 176.870 0.132 0.000 1.071 83 L CA 2.031 56.987 54.840 0.193 0.000 0.751 83 L CB -0.648 41.403 42.059 -0.014 0.000 0.889 83 L HN 0.228 nan 8.230 nan 0.000 0.432 84 Q N -1.158 118.675 119.800 0.055 0.000 2.096 84 Q HA -0.114 4.226 4.340 0.000 0.000 0.197 84 Q C 1.860 177.879 176.000 0.031 0.000 0.964 84 Q CA 1.426 57.245 55.803 0.026 0.000 0.838 84 Q CB -0.153 28.588 28.738 0.004 0.000 0.906 84 Q HN 0.533 nan 8.270 nan 0.000 0.444 85 N N -0.303 118.414 118.700 0.027 0.000 2.333 85 N HA -0.057 4.683 4.740 0.000 0.000 0.178 85 N C 1.623 177.110 175.510 -0.037 0.000 1.018 85 N CA 0.852 53.902 53.050 0.001 0.000 0.882 85 N CB 0.286 38.775 38.487 0.003 0.000 0.984 85 N HN 0.037 nan 8.380 nan 0.000 0.434 86 V N -1.109 118.759 119.914 -0.075 0.000 2.922 86 V HA 0.165 4.285 4.120 0.000 0.000 0.242 86 V C 1.014 176.905 176.094 -0.338 0.000 1.094 86 V CA 0.757 62.905 62.300 -0.254 0.000 1.106 86 V CB -0.238 31.323 31.823 -0.437 0.000 0.799 86 V HN 0.054 nan 8.190 nan 0.000 0.474 87 F N -0.298 119.655 119.950 0.005 0.000 2.721 87 F HA 0.341 4.868 4.527 0.000 0.000 0.301 87 F C 0.683 176.476 175.800 -0.012 0.000 1.096 87 F CA -0.337 57.662 58.000 -0.001 0.000 1.308 87 F CB 0.500 39.499 39.000 -0.001 0.000 1.086 87 F HN -0.106 nan 8.300 nan 0.000 0.587 88 K N 1.516 121.989 120.400 0.122 0.000 3.372 88 K HA -0.144 4.176 4.320 0.000 0.000 0.272 88 K C -1.060 175.570 176.600 0.049 0.000 1.037 88 K CA 0.449 56.773 56.287 0.061 0.000 0.777 88 K CB -2.067 30.458 32.500 0.042 0.000 1.347 88 K HN 0.355 nan 8.250 nan 0.000 0.460 89 L N -0.471 120.771 121.223 0.031 0.000 2.393 89 L HA 0.294 4.635 4.340 0.000 0.000 0.260 89 L C 1.611 178.442 176.870 -0.066 0.000 1.002 89 L CA -0.775 54.052 54.840 -0.022 0.000 0.818 89 L CB 2.042 44.072 42.059 -0.048 0.000 1.369 89 L HN 0.131 nan 8.230 nan 0.000 0.412 90 E N 0.246 120.398 120.200 -0.079 0.000 2.065 90 E HA -0.020 4.330 4.350 0.000 0.000 0.191 90 E C -0.189 176.322 176.600 -0.147 0.000 0.960 90 E CA 0.620 56.970 56.400 -0.084 0.000 0.824 90 E CB 0.556 30.227 29.700 -0.048 0.000 0.793 90 E HN 0.439 nan 8.360 nan 0.000 0.459 91 K N -0.654 119.648 120.400 -0.164 0.000 2.263 91 K HA 0.460 4.780 4.320 0.000 0.000 0.249 91 K C -0.879 175.560 176.600 -0.268 0.000 1.076 91 K CA -0.809 55.352 56.287 -0.210 0.000 0.884 91 K CB -0.086 32.383 32.500 -0.051 0.000 1.394 91 K HN 0.035 nan 8.250 nan 0.000 0.476 92 F N 1.229 121.189 119.950 0.018 0.000 2.399 92 F HA 0.525 5.052 4.527 0.000 0.000 0.334 92 F C 1.368 177.172 175.800 0.006 0.000 1.097 92 F CA -0.971 57.034 58.000 0.009 0.000 1.076 92 F CB 1.542 40.550 39.000 0.014 0.000 1.162 92 F HN 0.319 nan 8.300 nan 0.000 0.495 93 R N 2.058 122.684 120.500 0.211 0.000 2.652 93 R HA 0.294 4.634 4.340 0.000 0.000 0.271 93 R C -2.442 173.925 176.300 0.111 0.000 1.129 93 R CA -1.659 54.514 56.100 0.122 0.000 1.200 93 R CB -0.435 29.915 30.300 0.084 0.000 1.146 93 R HN 0.266 nan 8.270 nan 0.000 0.581 94 P HA -0.014 nan 4.420 nan 0.000 0.267 94 P C 0.455 177.760 177.300 0.010 0.000 1.200 94 P CA 0.323 63.441 63.100 0.030 0.000 0.772 94 P CB 0.386 32.101 31.700 0.024 0.000 0.855 95 L N -0.580 120.620 121.223 -0.039 0.000 5.259 95 L HA -0.415 3.925 4.340 0.000 0.000 0.412 95 L C 2.141 178.970 176.870 -0.070 0.000 0.876 95 L CA 1.399 56.196 54.840 -0.071 0.000 1.762 95 L CB -1.311 40.737 42.059 -0.020 0.000 1.441 95 L HN 0.494 nan 8.230 nan 0.000 0.615 96 Q N -0.407 119.361 119.800 -0.054 0.000 2.096 96 Q HA -0.272 4.068 4.340 0.000 0.000 0.208 96 Q C 2.049 177.853 176.000 -0.326 0.000 0.993 96 Q CA 2.307 58.048 55.803 -0.104 0.000 0.862 96 Q CB -0.140 28.619 28.738 0.034 0.000 0.915 96 Q HN 0.608 nan 8.270 nan 0.000 0.416 97 L N 0.987 121.890 121.223 -0.532 0.000 2.056 97 L HA -0.151 4.189 4.340 0.000 0.000 0.207 97 L C 1.720 178.424 176.870 -0.276 0.000 1.078 97 L CA 1.825 56.258 54.840 -0.678 0.000 0.749 97 L CB -0.183 41.492 42.059 -0.639 0.000 0.901 97 L HN 0.052 nan 8.230 nan 0.000 0.433 98 E N -0.864 119.230 120.200 -0.177 0.000 2.153 98 E HA -0.162 4.188 4.350 0.000 0.000 0.194 98 E C 2.000 178.580 176.600 -0.033 0.000 0.988 98 E CA 1.713 58.058 56.400 -0.093 0.000 0.811 98 E CB -0.398 29.142 29.700 -0.267 0.000 0.746 98 E HN 0.487 nan 8.360 nan 0.000 0.466 99 T N 0.597 115.147 114.554 -0.007 0.000 2.732 99 T HA -0.029 4.321 4.350 0.000 0.000 0.261 99 T C 1.872 176.530 174.700 -0.071 0.000 1.040 99 T CA 0.820 62.948 62.100 0.047 0.000 1.145 99 T CB -0.198 68.715 68.868 0.075 0.000 0.866 99 T HN 0.095 nan 8.240 nan 0.000 0.427 100 I N 1.774 122.281 120.570 -0.105 0.000 2.264 100 I HA -0.226 3.945 4.170 0.000 0.000 0.248 100 I C 2.434 178.467 176.117 -0.141 0.000 1.111 100 I CA 0.954 62.184 61.300 -0.118 0.000 1.382 100 I CB -0.472 37.458 38.000 -0.117 0.000 1.060 100 I HN 0.223 nan 8.210 nan 0.000 0.418 101 N N 0.757 119.398 118.700 -0.097 0.000 2.084 101 N HA -0.136 4.604 4.740 0.000 0.000 0.190 101 N C 1.974 177.424 175.510 -0.100 0.000 1.030 101 N CA 1.182 54.209 53.050 -0.038 0.000 0.849 101 N CB -0.479 38.044 38.487 0.060 0.000 1.012 101 N HN 0.153 nan 8.380 nan 0.000 0.423 102 V N 1.095 120.819 119.914 -0.317 0.000 2.392 102 V HA -0.203 3.917 4.120 0.000 0.000 0.249 102 V C 2.198 178.149 176.094 -0.237 0.000 1.059 102 V CA 1.701 63.703 62.300 -0.496 0.000 1.051 102 V CB -0.741 30.716 31.823 -0.610 0.000 0.658 102 V HN 0.365 nan 8.190 nan 0.000 0.455 103 T N -0.527 113.901 114.554 -0.210 0.000 2.857 103 T HA -0.094 4.257 4.350 0.000 0.000 0.266 103 T C 1.811 176.352 174.700 -0.264 0.000 1.048 103 T CA 1.160 63.149 62.100 -0.185 0.000 1.139 103 T CB -0.214 68.574 68.868 -0.132 0.000 0.874 103 T HN 0.198 nan 8.240 nan 0.000 0.455 104 M N 0.943 120.285 119.600 -0.430 0.000 2.476 104 M HA 0.201 4.681 4.480 0.000 0.000 0.262 104 M C 2.291 178.137 176.300 -0.756 0.000 1.079 104 M CA 0.454 55.285 55.300 -0.782 0.000 1.104 104 M CB -1.056 30.643 32.600 -1.502 0.000 1.409 104 M HN 0.213 nan 8.290 nan 0.000 0.467 105 A N -0.372 122.249 122.820 -0.332 0.000 2.251 105 A HA 0.436 4.756 4.320 0.000 0.000 0.209 105 A C 1.547 179.143 177.584 0.021 0.000 1.187 105 A CA 0.692 52.756 52.037 0.045 0.000 0.823 105 A CB -0.706 18.549 19.000 0.426 0.000 0.846 105 A HN 0.605 nan 8.150 nan 0.000 0.486 106 G N -0.564 108.180 108.800 -0.094 0.000 2.198 106 G HA2 -0.212 3.748 3.960 0.000 0.000 0.257 106 G HA3 -0.212 3.748 3.960 0.000 0.000 0.257 106 G C 0.178 175.036 174.900 -0.071 0.000 1.042 106 G CA 0.609 45.661 45.100 -0.080 0.000 0.791 106 G HN 0.664 nan 8.290 nan 0.000 0.502 107 K N -1.082 119.264 120.400 -0.089 0.000 2.393 107 K HA 0.777 5.098 4.320 0.000 0.000 0.241 107 K C 0.019 176.516 176.600 -0.172 0.000 1.055 107 K CA -0.853 55.352 56.287 -0.136 0.000 0.951 107 K CB 1.348 33.757 32.500 -0.152 0.000 1.285 107 K HN 0.304 nan 8.250 nan 0.000 0.500 108 E N 0.049 120.099 120.200 -0.251 0.000 2.191 108 E HA 0.571 4.921 4.350 0.000 0.000 0.278 108 E C -1.433 174.981 176.600 -0.309 0.000 0.972 108 E CA -0.443 55.805 56.400 -0.254 0.000 0.804 108 E CB 1.802 31.333 29.700 -0.280 0.000 1.110 108 E HN 0.345 nan 8.360 nan 0.000 0.394 109 V N 4.576 124.350 119.914 -0.233 0.000 2.969 109 V HA 0.520 4.640 4.120 0.000 0.000 0.304 109 V C -1.833 174.257 176.094 -0.007 0.000 1.192 109 V CA -0.689 61.477 62.300 -0.223 0.000 0.962 109 V CB 1.178 32.869 31.823 -0.220 0.000 1.045 109 V HN 0.490 nan 8.190 nan 0.000 0.428 110 F N 6.105 125.973 119.950 -0.138 0.000 2.443 110 F HA 0.731 5.258 4.527 0.000 0.000 0.335 110 F C -0.159 175.607 175.800 -0.057 0.000 1.104 110 F CA -1.416 56.540 58.000 -0.072 0.000 1.013 110 F CB 1.772 40.747 39.000 -0.042 0.000 1.136 110 F HN 0.375 nan 8.300 nan 0.000 0.470 111 L N 4.637 125.973 121.223 0.188 0.000 2.319 111 L HA 0.619 4.960 4.340 0.000 0.000 0.281 111 L C -1.190 175.756 176.870 0.126 0.000 1.005 111 L CA -0.681 54.251 54.840 0.154 0.000 0.828 111 L CB 1.304 43.449 42.059 0.144 0.000 1.227 111 L HN 0.266 nan 8.230 nan 0.000 0.415 112 V N 6.691 126.687 119.914 0.138 0.000 2.328 112 V HA 0.650 4.770 4.120 0.000 0.000 0.278 112 V C 0.025 176.193 176.094 0.124 0.000 1.021 112 V CA -0.321 62.047 62.300 0.113 0.000 0.838 112 V CB 1.096 32.983 31.823 0.107 0.000 0.999 112 V HN 0.893 nan 8.190 nan 0.000 0.447 113 M N 7.004 126.674 119.600 0.117 0.000 2.365 113 M HA 0.525 5.005 4.480 0.000 0.000 0.288 113 M C -3.066 173.310 176.300 0.126 0.000 1.152 113 M CA -1.450 53.924 55.300 0.123 0.000 0.948 113 M CB 3.015 35.681 32.600 0.110 0.000 1.729 113 M HN 0.334 nan 8.290 nan 0.000 0.487 114 P HA 0.094 nan 4.420 nan 0.000 0.266 114 P C -0.866 176.501 177.300 0.113 0.000 1.195 114 P CA 0.246 63.447 63.100 0.169 0.000 0.768 114 P CB 0.338 32.172 31.700 0.223 0.000 0.838 115 T N 2.176 116.785 114.554 0.092 0.000 2.871 115 T HA 0.313 4.663 4.350 0.000 0.000 0.296 115 T C 1.397 176.125 174.700 0.047 0.000 0.998 115 T CA 1.146 63.283 62.100 0.061 0.000 1.162 115 T CB -0.404 68.489 68.868 0.042 0.000 0.947 115 T HN 0.838 nan 8.240 nan 0.000 0.536 116 G N 2.364 111.191 108.800 0.045 0.000 2.176 116 G HA2 -0.194 3.766 3.960 0.000 0.000 0.232 116 G HA3 -0.194 3.766 3.960 0.000 0.000 0.232 116 G C 1.021 175.945 174.900 0.040 0.000 0.986 116 G CA 0.153 45.274 45.100 0.035 0.000 0.643 116 G HN 1.087 nan 8.290 nan 0.000 0.522 117 G N -0.230 108.602 108.800 0.053 0.000 2.551 117 G HA2 0.499 4.459 3.960 0.000 0.000 0.216 117 G HA3 0.499 4.459 3.960 0.000 0.000 0.216 117 G C 1.406 176.334 174.900 0.046 0.000 1.137 117 G CA 1.712 46.846 45.100 0.057 0.000 0.798 117 G HN 1.998 nan 8.290 nan 0.000 0.536 118 G N -0.331 108.491 108.800 0.036 0.000 2.189 118 G HA2 -0.151 3.810 3.960 0.000 0.000 0.113 118 G HA3 -0.151 3.810 3.960 0.000 0.000 0.113 118 G C 0.818 175.721 174.900 0.005 0.000 1.038 118 G CA 0.404 45.514 45.100 0.016 0.000 0.704 118 G HN 0.372 nan 8.290 nan 0.000 0.490 119 K N 0.724 121.139 120.400 0.024 0.000 2.001 119 K HA -0.064 4.256 4.320 0.000 0.000 0.208 119 K C 2.927 179.513 176.600 -0.023 0.000 1.048 119 K CA 1.769 58.081 56.287 0.040 0.000 0.932 119 K CB -0.236 32.319 32.500 0.092 0.000 0.715 119 K HN 0.540 nan 8.250 nan 0.000 0.437 120 S N 1.773 117.426 115.700 -0.078 0.000 2.383 120 S HA -0.188 4.282 4.470 0.000 0.000 0.229 120 S C 2.032 176.267 174.600 -0.609 0.000 1.030 120 S CA 1.113 59.098 58.200 -0.358 0.000 1.002 120 S CB -0.575 62.505 63.200 -0.200 0.000 0.829 120 S HN 0.245 nan 8.310 nan 0.000 0.467 121 L N 1.427 122.449 121.223 -0.336 0.000 2.189 121 L HA -0.079 4.261 4.340 0.000 0.000 0.214 121 L C 2.314 179.023 176.870 -0.269 0.000 1.097 121 L CA 1.432 56.066 54.840 -0.345 0.000 0.764 121 L CB -0.793 41.107 42.059 -0.265 0.000 0.900 121 L HN 0.487 nan 8.230 nan 0.000 0.436 122 C N -0.943 118.248 119.300 -0.181 0.000 2.432 122 C HA -0.103 4.357 4.460 0.000 0.000 0.282 122 C C 2.322 177.315 174.990 0.004 0.000 1.388 122 C CA 0.802 59.784 59.018 -0.059 0.000 1.777 122 C CB -1.421 26.328 27.740 0.014 0.000 1.882 122 C HN 0.820 nan 8.230 nan 0.000 0.520 123 Y N -0.633 119.671 120.300 0.005 0.000 2.559 123 Y HA 0.227 4.777 4.550 0.001 0.000 0.279 123 Y C 2.192 178.115 175.900 0.038 0.000 1.117 123 Y CA 0.251 58.358 58.100 0.012 0.000 1.263 123 Y CB -1.195 37.272 38.460 0.011 0.000 1.230 123 Y HN 0.103 nan 8.280 nan 0.000 0.528 124 Q N 0.975 120.596 119.800 -0.297 0.000 2.181 124 Q HA -0.144 4.196 4.340 0.000 0.000 0.205 124 Q C 2.169 178.241 176.000 0.120 0.000 0.980 124 Q CA 2.150 57.926 55.803 -0.044 0.000 0.862 124 Q CB -0.107 28.536 28.738 -0.158 0.000 0.905 124 Q HN 0.674 nan 8.270 nan 0.000 0.429 125 L N 0.181 121.420 121.223 0.026 0.000 2.049 125 L HA -0.028 4.312 4.340 0.000 0.000 0.203 125 L C -1.001 175.961 176.870 0.153 0.000 1.074 125 L CA 0.939 55.866 54.840 0.143 0.000 0.749 125 L CB -0.582 41.499 42.059 0.036 0.000 0.907 125 L HN 0.078 nan 8.230 nan 0.000 0.439 126 P HA -0.103 nan 4.420 nan 0.000 0.222 126 P C 1.174 178.511 177.300 0.062 0.000 1.147 126 P CA 1.390 64.515 63.100 0.042 0.000 0.790 126 P CB -0.172 31.518 31.700 -0.016 0.000 0.780 127 A N -1.288 121.598 122.820 0.110 0.000 2.234 127 A HA -0.117 4.203 4.320 0.000 0.000 0.216 127 A C 1.711 179.364 177.584 0.115 0.000 1.167 127 A CA 1.275 53.385 52.037 0.122 0.000 0.698 127 A CB -1.141 17.966 19.000 0.178 0.000 0.779 127 A HN 0.139 nan 8.150 nan 0.000 0.475 128 L N -2.415 118.881 121.223 0.122 0.000 2.731 128 L HA 0.182 4.522 4.340 0.000 0.000 0.240 128 L C 1.661 178.582 176.870 0.085 0.000 1.120 128 L CA 0.725 55.630 54.840 0.108 0.000 0.913 128 L CB 0.114 42.253 42.059 0.134 0.000 1.213 128 L HN 0.438 nan 8.230 nan 0.000 0.515 129 C N -2.072 117.272 119.300 0.073 0.000 2.551 129 C HA 0.226 4.686 4.460 0.000 0.000 0.277 129 C C 1.855 176.867 174.990 0.038 0.000 1.349 129 C CA -0.167 58.890 59.018 0.064 0.000 1.750 129 C CB -0.155 27.620 27.740 0.058 0.000 2.058 129 C HN 0.379 nan 8.230 nan 0.000 0.518 130 S N 0.451 116.160 115.700 0.014 0.000 2.397 130 S HA 0.281 4.751 4.470 0.000 0.000 0.261 130 S C -0.773 173.828 174.600 0.001 0.000 1.187 130 S CA 0.021 58.216 58.200 -0.008 0.000 1.023 130 S CB 0.091 63.266 63.200 -0.041 0.000 1.103 130 S HN 0.386 nan 8.310 nan 0.000 0.474 131 D N 0.145 120.532 120.400 -0.021 0.000 2.757 131 D HA 0.596 5.236 4.640 0.000 0.000 0.249 131 D C 0.284 176.564 176.300 -0.034 0.000 1.168 131 D CA 0.412 54.403 54.000 -0.015 0.000 0.870 131 D CB 1.297 42.085 40.800 -0.021 0.000 1.411 131 D HN 0.785 nan 8.370 nan 0.000 0.525 132 G N 0.997 109.798 108.800 0.001 0.000 2.660 132 G HA2 -0.091 3.870 3.960 0.000 0.000 0.247 132 G HA3 -0.091 3.870 3.960 0.000 0.000 0.247 132 G C -0.319 174.603 174.900 0.035 0.000 1.328 132 G CA -0.524 44.579 45.100 0.004 0.000 0.884 132 G HN 0.465 nan 8.290 nan 0.000 0.531 133 F N -1.012 118.962 119.950 0.041 0.000 2.368 133 F HA 0.855 5.382 4.527 0.000 0.000 0.315 133 F C 0.488 176.336 175.800 0.080 0.000 1.145 133 F CA -0.308 57.717 58.000 0.042 0.000 1.095 133 F CB 1.263 40.262 39.000 -0.003 0.000 1.286 133 F HN 0.541 nan 8.300 nan 0.000 0.530 134 T N 2.830 117.601 114.554 0.361 0.000 2.829 134 T HA 0.489 4.839 4.350 0.000 0.000 0.280 134 T C -1.188 173.670 174.700 0.263 0.000 0.999 134 T CA -0.491 61.756 62.100 0.245 0.000 0.983 134 T CB 1.560 70.518 68.868 0.150 0.000 0.968 134 T HN 0.714 nan 8.240 nan 0.000 0.446 135 L N 4.619 125.956 121.223 0.189 0.000 2.289 135 L HA 0.723 5.063 4.340 0.000 0.000 0.285 135 L C -1.097 175.693 176.870 -0.132 0.000 1.049 135 L CA -0.285 54.576 54.840 0.036 0.000 0.804 135 L CB 0.899 42.969 42.059 0.019 0.000 1.195 135 L HN 0.423 nan 8.230 nan 0.000 0.428 136 V N 6.401 126.146 119.914 -0.281 0.000 2.487 136 V HA 0.460 4.580 4.120 0.000 0.000 0.298 136 V C -0.312 175.612 176.094 -0.284 0.000 1.028 136 V CA -0.498 61.537 62.300 -0.440 0.000 0.860 136 V CB 1.541 32.808 31.823 -0.927 0.000 0.991 136 V HN 0.561 nan 8.190 nan 0.000 0.427 137 I N 4.273 124.720 120.570 -0.206 0.000 2.354 137 I HA 0.548 4.719 4.170 0.000 0.000 0.292 137 I C -0.209 175.865 176.117 -0.072 0.000 0.989 137 I CA 0.178 61.395 61.300 -0.138 0.000 1.188 137 I CB 1.449 39.345 38.000 -0.174 0.000 1.342 137 I HN 0.716 nan 8.210 nan 0.000 0.457 138 C N 8.688 127.983 119.300 -0.008 0.000 2.608 138 C HA 0.559 5.019 4.460 0.000 0.000 0.325 138 C C -1.702 173.327 174.990 0.065 0.000 1.147 138 C CA -1.206 57.856 59.018 0.074 0.000 1.359 138 C CB 1.848 29.689 27.740 0.169 0.000 1.912 138 C HN 0.681 nan 8.230 nan 0.000 0.466 139 P HA 0.165 nan 4.420 nan 0.000 0.231 139 P C -0.429 176.900 177.300 0.048 0.000 1.168 139 P CA 0.857 64.012 63.100 0.091 0.000 0.779 139 P CB 0.171 31.930 31.700 0.099 0.000 0.844 140 L N -1.551 119.699 121.223 0.045 0.000 2.422 140 L HA 0.265 4.605 4.340 0.000 0.000 0.264 140 L C 1.492 178.377 176.870 0.025 0.000 0.984 140 L CA -0.854 54.004 54.840 0.030 0.000 0.819 140 L CB 2.420 44.497 42.059 0.030 0.000 1.330 140 L HN -0.376 nan 8.230 nan 0.000 0.410 141 I N -0.852 119.726 120.570 0.014 0.000 2.252 141 I HA -0.202 3.968 4.170 0.000 0.000 0.245 141 I C 2.411 178.527 176.117 -0.001 0.000 1.102 141 I CA 1.651 62.955 61.300 0.005 0.000 1.385 141 I CB -1.303 36.698 38.000 0.002 0.000 1.064 141 I HN 0.934 nan 8.210 nan 0.000 0.414 142 S N 1.458 117.162 115.700 0.006 0.000 2.374 142 S HA -0.227 4.243 4.470 0.000 0.000 0.227 142 S C 2.042 176.641 174.600 -0.002 0.000 1.037 142 S CA 1.573 59.776 58.200 0.005 0.000 1.024 142 S CB -1.075 62.136 63.200 0.018 0.000 0.861 142 S HN 0.591 nan 8.310 nan 0.000 0.456 143 L N 0.415 121.644 121.223 0.011 0.000 2.127 143 L HA -0.083 4.257 4.340 0.000 0.000 0.211 143 L C 2.832 179.694 176.870 -0.014 0.000 1.089 143 L CA 1.394 56.245 54.840 0.018 0.000 0.757 143 L CB -0.611 41.477 42.059 0.049 0.000 0.899 143 L HN 0.372 nan 8.230 nan 0.000 0.434 144 M N -1.014 118.559 119.600 -0.045 0.000 2.156 144 M HA -0.145 4.335 4.480 0.000 0.000 0.264 144 M C 2.089 178.257 176.300 -0.220 0.000 1.067 144 M CA 1.505 56.699 55.300 -0.177 0.000 1.131 144 M CB -0.388 32.144 32.600 -0.114 0.000 1.368 144 M HN 0.202 nan 8.290 nan 0.000 0.416 145 E N 0.769 120.901 120.200 -0.112 0.000 2.110 145 E HA -0.200 4.150 4.350 0.000 0.000 0.193 145 E C 1.502 178.053 176.600 -0.082 0.000 0.988 145 E CA 1.126 57.473 56.400 -0.089 0.000 0.804 145 E CB -0.268 29.403 29.700 -0.049 0.000 0.745 145 E HN 0.471 nan 8.360 nan 0.000 0.458 146 D N 1.051 121.413 120.400 -0.063 0.000 2.116 146 D HA -0.181 4.459 4.640 0.000 0.000 0.193 146 D C 2.074 178.347 176.300 -0.045 0.000 0.998 146 D CA 1.186 55.163 54.000 -0.038 0.000 0.836 146 D CB -0.198 40.595 40.800 -0.012 0.000 0.951 146 D HN 0.264 nan 8.370 nan 0.000 0.449 147 Q N -0.086 119.663 119.800 -0.086 0.000 2.096 147 Q HA 0.019 4.359 4.340 0.000 0.000 0.197 147 Q C 2.731 178.687 176.000 -0.073 0.000 0.964 147 Q CA 0.324 56.086 55.803 -0.068 0.000 0.838 147 Q CB -0.122 28.563 28.738 -0.089 0.000 0.906 147 Q HN 0.343 nan 8.270 nan 0.000 0.444 148 L N 0.035 121.167 121.223 -0.152 0.000 2.081 148 L HA -0.251 4.089 4.340 0.000 0.000 0.212 148 L C 2.854 179.710 176.870 -0.022 0.000 1.080 148 L CA 1.274 56.067 54.840 -0.079 0.000 0.754 148 L CB -0.619 41.384 42.059 -0.093 0.000 0.893 148 L HN 0.202 nan 8.230 nan 0.000 0.433 149 M N -0.674 118.908 119.600 -0.030 0.000 2.067 149 M HA -0.128 4.352 4.480 0.000 0.000 0.260 149 M C 2.316 178.620 176.300 0.006 0.000 1.069 149 M CA 1.832 57.124 55.300 -0.013 0.000 1.117 149 M CB -0.659 31.929 32.600 -0.021 0.000 1.334 149 M HN 0.193 nan 8.290 nan 0.000 0.407 150 V N 0.458 120.380 119.914 0.014 0.000 2.332 150 V HA -0.291 3.829 4.120 0.000 0.000 0.248 150 V C 2.425 178.553 176.094 0.056 0.000 1.055 150 V CA 2.467 64.789 62.300 0.036 0.000 1.038 150 V CB -0.876 30.975 31.823 0.047 0.000 0.651 150 V HN 0.628 nan 8.190 nan 0.000 0.450 151 L N -0.305 120.957 121.223 0.065 0.000 2.017 151 L HA -0.231 4.109 4.340 0.000 0.000 0.208 151 L C 2.605 179.506 176.870 0.053 0.000 1.073 151 L CA 2.094 56.985 54.840 0.084 0.000 0.745 151 L CB -0.654 41.470 42.059 0.108 0.000 0.894 151 L HN 0.291 nan 8.230 nan 0.000 0.432 152 K N 0.089 120.512 120.400 0.038 0.000 2.113 152 K HA -0.271 4.049 4.320 0.000 0.000 0.208 152 K C 2.162 178.772 176.600 0.017 0.000 1.047 152 K CA 1.900 58.203 56.287 0.026 0.000 0.928 152 K CB -0.057 32.453 32.500 0.016 0.000 0.716 152 K HN 0.390 nan 8.250 nan 0.000 0.446 153 Q N 0.333 120.143 119.800 0.017 0.000 2.488 153 Q HA 0.037 4.377 4.340 0.000 0.000 0.211 153 Q C 1.667 177.671 176.000 0.007 0.000 0.967 153 Q CA 1.105 56.915 55.803 0.011 0.000 0.926 153 Q CB -0.311 28.434 28.738 0.013 0.000 0.992 153 Q HN 0.417 nan 8.270 nan 0.000 0.506 154 L N -1.914 119.313 121.223 0.006 0.000 2.766 154 L HA 0.465 4.805 4.340 0.000 0.000 0.242 154 L C 1.339 178.185 176.870 -0.040 0.000 1.136 154 L CA 0.457 55.284 54.840 -0.022 0.000 0.933 154 L CB 1.005 43.042 42.059 -0.036 0.000 1.241 154 L HN 0.458 nan 8.230 nan 0.000 0.522 155 G N 1.109 109.900 108.800 -0.015 0.000 2.140 155 G HA2 -0.209 3.751 3.960 0.000 0.000 0.211 155 G HA3 -0.209 3.751 3.960 0.000 0.000 0.211 155 G C -0.029 174.869 174.900 -0.003 0.000 1.013 155 G CA -0.373 44.720 45.100 -0.011 0.000 0.705 155 G HN 0.205 nan 8.290 nan 0.000 0.508 156 I N 1.960 122.538 120.570 0.013 0.000 2.362 156 I HA 0.377 4.548 4.170 0.000 0.000 0.289 156 I C 0.718 176.877 176.117 0.071 0.000 0.994 156 I CA -0.716 60.605 61.300 0.036 0.000 1.158 156 I CB 1.829 39.853 38.000 0.041 0.000 1.315 156 I HN 0.278 nan 8.210 nan 0.000 0.451 157 S N 5.147 120.896 115.700 0.082 0.000 2.523 157 S HA 0.827 5.298 4.470 0.000 0.000 0.275 157 S C -0.168 174.507 174.600 0.125 0.000 1.281 157 S CA -0.580 57.684 58.200 0.107 0.000 1.050 157 S CB 1.736 65.004 63.200 0.113 0.000 0.937 157 S HN 0.850 nan 8.310 nan 0.000 0.492 158 A N 1.603 124.507 122.820 0.140 0.000 2.597 158 A HA 0.825 5.145 4.320 0.000 0.000 0.292 158 A C -0.370 177.313 177.584 0.164 0.000 1.057 158 A CA -0.558 51.575 52.037 0.160 0.000 0.674 158 A CB 1.353 20.483 19.000 0.217 0.000 1.278 158 A HN 1.010 nan 8.150 nan 0.000 0.416 159 T N -0.589 114.066 114.554 0.168 0.000 2.647 159 T HA 0.796 5.147 4.350 0.000 0.000 0.295 159 T C -1.577 173.221 174.700 0.164 0.000 1.126 159 T CA 0.207 62.411 62.100 0.174 0.000 1.040 159 T CB 1.228 70.239 68.868 0.239 0.000 1.472 159 T HN 1.988 nan 8.240 nan 0.000 0.500 160 M N 0.974 120.656 119.600 0.137 0.000 2.322 160 M HA 0.824 5.305 4.480 0.000 0.000 0.286 160 M C -0.762 175.554 176.300 0.025 0.000 1.111 160 M CA -0.838 54.518 55.300 0.094 0.000 0.941 160 M CB 0.708 33.357 32.600 0.083 0.000 1.671 160 M HN 0.666 nan 8.290 nan 0.000 0.470 161 L N 1.571 122.754 121.223 -0.067 0.000 2.431 161 L HA 1.023 5.364 4.340 0.000 0.000 0.260 161 L C -0.284 176.518 176.870 -0.113 0.000 1.098 161 L CA -0.428 54.327 54.840 -0.141 0.000 0.800 161 L CB 1.128 43.042 42.059 -0.241 0.000 1.210 161 L HN 1.090 nan 8.230 nan 0.000 0.465 162 N N -1.582 117.052 118.700 -0.111 0.000 3.545 162 N HA 0.516 5.256 4.740 0.000 0.000 0.227 162 N C 0.216 175.689 175.510 -0.062 0.000 1.380 162 N CA 0.283 53.290 53.050 -0.072 0.000 0.892 162 N CB 0.857 39.329 38.487 -0.025 0.000 1.441 162 N HN 1.087 nan 8.380 nan 0.000 0.497 163 A N 0.022 122.813 122.820 -0.049 0.000 2.178 163 A HA 0.088 4.408 4.320 0.000 0.000 0.218 163 A C 0.411 177.982 177.584 -0.022 0.000 1.157 163 A CA 1.497 53.512 52.037 -0.038 0.000 0.689 163 A CB -0.320 18.662 19.000 -0.030 0.000 0.787 163 A HN 0.446 nan 8.150 nan 0.000 0.465 164 S N 0.030 115.722 115.700 -0.013 0.000 2.474 164 S HA 0.373 4.843 4.470 0.000 0.000 0.224 164 S C -0.199 174.411 174.600 0.017 0.000 1.209 164 S CA -0.471 57.728 58.200 -0.000 0.000 1.212 164 S CB 0.558 63.758 63.200 0.000 0.000 1.137 164 S HN 0.332 nan 8.310 nan 0.000 0.446 165 S N 1.940 117.651 115.700 0.020 0.000 2.747 165 S HA 0.684 5.154 4.470 0.000 0.000 0.300 165 S C 0.273 174.903 174.600 0.049 0.000 1.121 165 S CA -0.768 57.471 58.200 0.065 0.000 0.995 165 S CB 1.391 64.633 63.200 0.071 0.000 1.113 165 S HN 0.575 nan 8.310 nan 0.000 0.547 166 S N 0.080 115.833 115.700 0.089 0.000 2.578 166 S HA 0.565 5.035 4.470 0.000 0.000 0.283 166 S C 0.944 175.571 174.600 0.046 0.000 1.195 166 S CA -0.317 57.916 58.200 0.056 0.000 1.050 166 S CB 1.163 64.393 63.200 0.050 0.000 1.012 166 S HN 0.803 nan 8.310 nan 0.000 0.511 167 K N 0.801 121.213 120.400 0.021 0.000 2.442 167 K HA 0.023 4.344 4.320 0.000 0.000 0.199 167 K C 1.985 178.597 176.600 0.019 0.000 1.044 167 K CA 2.046 58.339 56.287 0.009 0.000 0.941 167 K CB -1.896 30.610 32.500 0.009 0.000 0.759 167 K HN 0.976 nan 8.250 nan 0.000 0.472 168 E N -0.465 119.762 120.200 0.045 0.000 2.065 168 E HA -0.032 4.318 4.350 0.000 0.000 0.191 168 E C 2.042 178.727 176.600 0.142 0.000 0.960 168 E CA 0.842 57.281 56.400 0.065 0.000 0.824 168 E CB -0.827 28.893 29.700 0.034 0.000 0.793 168 E HN 0.784 nan 8.360 nan 0.000 0.459 169 H N 1.005 120.091 119.070 0.026 0.000 2.251 169 H HA -0.117 4.439 4.556 0.000 0.000 0.294 169 H C 2.250 177.626 175.328 0.080 0.000 1.078 169 H CA 2.277 58.377 56.048 0.086 0.000 1.246 169 H CB -0.679 29.109 29.762 0.043 0.000 1.358 169 H HN 0.147 nan 8.280 nan 0.000 0.488 170 V N 0.611 120.482 119.914 -0.072 0.000 2.311 170 V HA -0.379 3.741 4.120 0.000 0.000 0.256 170 V C 2.789 178.646 176.094 -0.395 0.000 1.077 170 V CA 3.329 65.465 62.300 -0.275 0.000 1.067 170 V CB -1.348 30.342 31.823 -0.221 0.000 0.659 170 V HN 0.798 nan 8.190 nan 0.000 0.451 171 K N -1.682 118.621 120.400 -0.162 0.000 2.217 171 K HA -0.233 4.087 4.320 0.000 0.000 0.202 171 K C 1.705 178.338 176.600 0.054 0.000 1.051 171 K CA 1.484 57.722 56.287 -0.083 0.000 0.952 171 K CB -1.059 31.453 32.500 0.021 0.000 0.736 171 K HN 0.756 nan 8.250 nan 0.000 0.453 172 W N 0.675 121.939 121.300 -0.060 0.000 2.453 172 W HA -0.061 4.599 4.660 -0.000 0.000 0.289 172 W C 1.665 178.175 176.519 -0.014 0.000 1.215 172 W CA 1.173 58.516 57.345 -0.002 0.000 1.297 172 W CB 0.069 29.563 29.460 0.057 0.000 1.113 172 W HN 0.015 nan 8.180 nan 0.000 0.551 173 V N 0.260 120.075 119.914 -0.165 0.000 2.295 173 V HA -0.353 3.768 4.120 0.000 0.000 0.246 173 V C 2.219 178.224 176.094 -0.148 0.000 1.049 173 V CA 2.427 64.542 62.300 -0.309 0.000 1.024 173 V CB -1.480 30.214 31.823 -0.215 0.000 0.648 173 V HN 0.264 nan 8.190 nan 0.000 0.447 174 H N 0.162 119.155 119.070 -0.129 0.000 2.390 174 H HA -0.199 4.357 4.556 -0.000 0.000 0.298 174 H C 2.331 177.581 175.328 -0.129 0.000 1.106 174 H CA 1.176 57.164 56.048 -0.100 0.000 1.297 174 H CB -0.018 29.724 29.762 -0.033 0.000 1.375 174 H HN 0.499 nan 8.280 nan 0.000 0.509 175 A N 1.093 123.903 122.820 -0.015 0.000 1.872 175 A HA -0.135 4.185 4.320 0.000 0.000 0.214 175 A C 2.162 179.654 177.584 -0.154 0.000 1.187 175 A CA 1.211 53.210 52.037 -0.063 0.000 0.614 175 A CB -0.047 18.937 19.000 -0.027 0.000 0.826 175 A HN 0.284 nan 8.150 nan 0.000 0.442 176 E N -0.287 119.713 120.200 -0.333 0.000 2.204 176 E HA -0.127 4.223 4.350 0.000 0.000 0.194 176 E C 1.985 178.466 176.600 -0.198 0.000 0.989 176 E CA 0.967 57.158 56.400 -0.348 0.000 0.824 176 E CB -0.356 28.955 29.700 -0.648 0.000 0.756 176 E HN 0.732 nan 8.360 nan 0.000 0.477 177 M N 0.227 119.716 119.600 -0.184 0.000 2.077 177 M HA -0.126 4.354 4.480 0.000 0.000 0.261 177 M C 2.753 179.059 176.300 0.010 0.000 1.070 177 M CA 1.678 56.928 55.300 -0.083 0.000 1.125 177 M CB -0.646 31.855 32.600 -0.166 0.000 1.339 177 M HN 0.093 nan 8.290 nan 0.000 0.409 178 V N -0.187 119.708 119.914 -0.032 0.000 2.307 178 V HA -0.160 3.961 4.120 0.000 0.000 0.245 178 V C 1.286 177.379 176.094 -0.003 0.000 1.045 178 V CA 1.581 63.873 62.300 -0.013 0.000 1.024 178 V CB -0.925 30.885 31.823 -0.023 0.000 0.651 178 V HN 0.457 nan 8.190 nan 0.000 0.449 179 N N 1.649 120.340 118.700 -0.016 0.000 2.256 179 N HA 0.033 4.773 4.740 0.000 0.000 0.277 179 N C 0.950 176.464 175.510 0.007 0.000 1.362 179 N CA 0.938 53.984 53.050 -0.008 0.000 0.861 179 N CB 0.918 39.390 38.487 -0.026 0.000 1.136 179 N HN 0.624 nan 8.380 nan 0.000 0.492 180 K N 2.143 122.549 120.400 0.010 0.000 2.487 180 K HA -0.003 4.317 4.320 0.000 0.000 0.192 180 K C 1.355 177.964 176.600 0.016 0.000 1.027 180 K CA 1.186 57.480 56.287 0.012 0.000 1.054 180 K CB -1.267 31.236 32.500 0.005 0.000 0.824 180 K HN 0.844 nan 8.250 nan 0.000 0.510 181 N N 0.029 118.740 118.700 0.019 0.000 2.238 181 N HA 0.234 4.975 4.740 0.000 0.000 0.235 181 N C 0.530 176.058 175.510 0.031 0.000 1.209 181 N CA 0.390 53.454 53.050 0.025 0.000 0.879 181 N CB 0.471 38.973 38.487 0.025 0.000 1.136 181 N HN 0.374 nan 8.380 nan 0.000 0.517 182 S N -0.592 115.124 115.700 0.027 0.000 2.592 182 S HA 0.443 4.914 4.470 0.000 0.000 0.271 182 S C 1.243 175.869 174.600 0.043 0.000 1.326 182 S CA 0.842 59.057 58.200 0.024 0.000 1.024 182 S CB 0.890 64.080 63.200 -0.016 0.000 0.921 182 S HN 0.690 nan 8.310 nan 0.000 0.527 183 E N 3.247 123.479 120.200 0.053 0.000 2.479 183 E HA 0.300 4.650 4.350 0.000 0.000 0.193 183 E C 0.508 177.152 176.600 0.072 0.000 1.049 183 E CA -0.118 56.321 56.400 0.064 0.000 0.870 183 E CB -0.333 29.411 29.700 0.072 0.000 0.944 183 E HN 0.708 nan 8.360 nan 0.000 0.492 184 L N 0.637 121.895 121.223 0.058 0.000 2.456 184 L HA 0.174 4.514 4.340 0.000 0.000 0.272 184 L C 1.340 178.284 176.870 0.124 0.000 1.189 184 L CA 0.037 54.912 54.840 0.059 0.000 0.846 184 L CB 1.143 43.178 42.059 -0.040 0.000 1.111 184 L HN 0.038 nan 8.230 nan 0.000 0.475 185 K N 3.536 124.017 120.400 0.136 0.000 2.474 185 K HA 0.392 4.712 4.320 0.000 0.000 0.202 185 K C -0.926 175.801 176.600 0.211 0.000 1.248 185 K CA 0.293 56.687 56.287 0.177 0.000 0.946 185 K CB 0.715 33.302 32.500 0.145 0.000 1.102 185 K HN 0.352 nan 8.250 nan 0.000 0.541 186 L N 1.058 122.384 121.223 0.172 0.000 2.505 186 L HA 0.470 4.811 4.340 0.000 0.000 0.266 186 L C -1.069 175.861 176.870 0.100 0.000 0.954 186 L CA -0.367 54.568 54.840 0.158 0.000 0.852 186 L CB 2.171 44.377 42.059 0.245 0.000 1.282 186 L HN -0.150 nan 8.230 nan 0.000 0.403 187 I N 2.389 122.943 120.570 -0.026 0.000 2.433 187 I HA 0.440 4.610 4.170 0.000 0.000 0.292 187 I C -1.151 174.936 176.117 -0.050 0.000 1.001 187 I CA -0.524 60.754 61.300 -0.037 0.000 1.119 187 I CB 1.547 39.413 38.000 -0.223 0.000 1.289 187 I HN 0.347 nan 8.210 nan 0.000 0.438 188 Y N 5.626 125.905 120.300 -0.035 0.000 2.331 188 Y HA 0.656 5.206 4.550 0.000 0.000 0.338 188 Y C 0.169 176.021 175.900 -0.080 0.000 0.992 188 Y CA -0.750 57.328 58.100 -0.036 0.000 1.121 188 Y CB 1.804 40.263 38.460 -0.001 0.000 1.184 188 Y HN 0.355 nan 8.280 nan 0.000 0.469 189 V N -0.555 119.358 119.914 -0.001 0.000 3.167 189 V HA 0.851 4.971 4.120 0.000 0.000 0.310 189 V C -0.253 175.789 176.094 -0.087 0.000 1.207 189 V CA -0.879 61.361 62.300 -0.101 0.000 1.059 189 V CB 1.654 33.325 31.823 -0.254 0.000 1.079 189 V HN 0.720 nan 8.190 nan 0.000 0.446 190 T N -1.872 112.607 114.554 -0.125 0.000 2.936 190 T HA 0.656 5.007 4.350 0.000 0.000 0.282 190 T C -1.949 172.661 174.700 -0.151 0.000 1.003 190 T CA -1.594 60.442 62.100 -0.107 0.000 1.005 190 T CB 1.511 70.332 68.868 -0.078 0.000 1.097 190 T HN 0.577 nan 8.240 nan 0.000 0.532 191 P HA -0.035 nan 4.420 nan 0.000 0.216 191 P C 1.795 179.012 177.300 -0.138 0.000 1.153 191 P CA 1.343 64.316 63.100 -0.211 0.000 0.844 191 P CB -0.243 31.277 31.700 -0.300 0.000 0.787 192 E N 0.308 120.448 120.200 -0.101 0.000 2.219 192 E HA -0.242 4.108 4.350 0.000 0.000 0.198 192 E C 1.800 178.349 176.600 -0.085 0.000 0.998 192 E CA 1.089 57.444 56.400 -0.074 0.000 0.818 192 E CB -1.558 28.108 29.700 -0.055 0.000 0.741 192 E HN 0.205 nan 8.360 nan 0.000 0.477 193 K N -0.074 120.247 120.400 -0.132 0.000 2.147 193 K HA 0.060 4.380 4.320 0.000 0.000 0.205 193 K C 2.080 178.620 176.600 -0.101 0.000 1.049 193 K CA 1.172 57.345 56.287 -0.189 0.000 0.936 193 K CB -0.348 31.933 32.500 -0.365 0.000 0.722 193 K HN 0.383 nan 8.250 nan 0.000 0.446 194 I N 0.132 120.666 120.570 -0.060 0.000 2.500 194 I HA -0.089 4.081 4.170 0.000 0.000 0.252 194 I C 2.094 178.220 176.117 0.016 0.000 1.142 194 I CA 0.755 62.070 61.300 0.025 0.000 1.451 194 I CB -1.121 36.874 38.000 -0.008 0.000 1.093 194 I HN -0.065 nan 8.210 nan 0.000 0.430 195 A N 0.566 123.374 122.820 -0.019 0.000 1.984 195 A HA 0.008 4.328 4.320 0.000 0.000 0.214 195 A C 1.623 179.205 177.584 -0.003 0.000 1.173 195 A CA 0.556 52.584 52.037 -0.014 0.000 0.673 195 A CB -0.019 18.965 19.000 -0.026 0.000 0.830 195 A HN 0.317 nan 8.150 nan 0.000 0.453 196 K N -0.149 120.247 120.400 -0.006 0.000 2.896 196 K HA 0.298 4.619 4.320 0.000 0.000 0.210 196 K C -0.515 176.091 176.600 0.011 0.000 1.116 196 K CA 0.102 56.389 56.287 -0.000 0.000 1.050 196 K CB 0.613 33.107 32.500 -0.009 0.000 0.812 196 K HN 0.139 nan 8.250 nan 0.000 0.462 197 S N 0.796 116.517 115.700 0.034 0.000 2.511 197 S HA 0.225 4.695 4.470 0.000 0.000 0.233 197 S C 0.260 174.908 174.600 0.081 0.000 1.104 197 S CA -0.624 57.613 58.200 0.061 0.000 1.129 197 S CB 0.622 63.867 63.200 0.075 0.000 1.159 197 S HN 0.233 nan 8.310 nan 0.000 0.451 198 K N 2.265 122.695 120.400 0.049 0.000 2.211 198 K HA -0.057 4.263 4.320 0.000 0.000 0.203 198 K C 1.868 178.481 176.600 0.022 0.000 1.050 198 K CA 1.238 57.544 56.287 0.032 0.000 0.945 198 K CB -0.111 32.399 32.500 0.016 0.000 0.732 198 K HN 0.577 nan 8.250 nan 0.000 0.451 199 M N 0.093 119.714 119.600 0.035 0.000 2.067 199 M HA -0.147 4.333 4.480 0.000 0.000 0.260 199 M C 1.744 177.993 176.300 -0.084 0.000 1.069 199 M CA 1.575 56.865 55.300 -0.015 0.000 1.117 199 M CB -0.451 32.179 32.600 0.049 0.000 1.334 199 M HN 0.110 nan 8.290 nan 0.000 0.407 200 F N -0.000 119.869 119.950 -0.135 0.000 2.126 200 F HA -0.261 4.265 4.527 -0.000 0.000 0.299 200 F C 1.959 177.693 175.800 -0.111 0.000 1.096 200 F CA 1.673 59.584 58.000 -0.148 0.000 1.255 200 F CB -0.280 38.687 39.000 -0.054 0.000 0.997 200 F HN 0.134 nan 8.300 nan 0.000 0.479 201 M N -0.004 119.597 119.600 0.002 0.000 2.159 201 M HA -0.157 4.323 4.480 0.000 0.000 0.263 201 M C 2.575 178.831 176.300 -0.072 0.000 1.063 201 M CA 1.794 57.077 55.300 -0.028 0.000 1.110 201 M CB -1.598 31.034 32.600 0.053 0.000 1.374 201 M HN 0.372 nan 8.290 nan 0.000 0.411 202 S N -0.319 115.330 115.700 -0.085 0.000 2.423 202 S HA -0.088 4.382 4.470 0.000 0.000 0.231 202 S C 1.955 176.479 174.600 -0.127 0.000 1.014 202 S CA 0.607 58.762 58.200 -0.075 0.000 0.965 202 S CB -0.168 62.993 63.200 -0.064 0.000 0.785 202 S HN 0.275 nan 8.310 nan 0.000 0.495 203 R N 1.436 121.785 120.500 -0.252 0.000 2.062 203 R HA 0.282 4.622 4.340 0.000 0.000 0.229 203 R C 2.336 178.470 176.300 -0.277 0.000 1.128 203 R CA 1.027 56.945 56.100 -0.303 0.000 0.960 203 R CB -1.593 28.424 30.300 -0.472 0.000 0.855 203 R HN 0.454 nan 8.270 nan 0.000 0.432 204 L N 0.737 121.722 121.223 -0.397 0.000 2.079 204 L HA -0.203 4.138 4.340 0.000 0.000 0.210 204 L C 2.486 179.302 176.870 -0.089 0.000 1.081 204 L CA 1.506 56.125 54.840 -0.369 0.000 0.752 204 L CB -0.386 41.398 42.059 -0.457 0.000 0.896 204 L HN 0.323 nan 8.230 nan 0.000 0.433 205 E N 0.437 120.671 120.200 0.057 0.000 2.058 205 E HA -0.266 4.084 4.350 0.000 0.000 0.194 205 E C 2.151 178.848 176.600 0.161 0.000 0.997 205 E CA 1.468 57.991 56.400 0.206 0.000 0.801 205 E CB 0.133 29.920 29.700 0.145 0.000 0.746 205 E HN 0.409 nan 8.360 nan 0.000 0.450 206 K N 0.044 120.481 120.400 0.061 0.000 2.057 206 K HA -0.086 4.234 4.320 0.000 0.000 0.206 206 K C 2.164 178.803 176.600 0.064 0.000 1.050 206 K CA 1.028 57.346 56.287 0.050 0.000 0.935 206 K CB -0.144 32.358 32.500 0.003 0.000 0.715 206 K HN 0.124 nan 8.250 nan 0.000 0.439 207 A N 0.853 123.710 122.820 0.060 0.000 1.908 207 A HA -0.229 4.091 4.320 0.000 0.000 0.218 207 A C 2.085 179.751 177.584 0.137 0.000 1.181 207 A CA 1.470 53.560 52.037 0.088 0.000 0.627 207 A CB -0.872 18.193 19.000 0.109 0.000 0.818 207 A HN 0.465 nan 8.150 nan 0.000 0.445 208 Y N 0.581 120.937 120.300 0.095 0.000 2.274 208 Y HA -0.183 4.368 4.550 0.001 0.000 0.290 208 Y C 2.137 178.013 175.900 -0.041 0.000 1.145 208 Y CA 2.222 60.315 58.100 -0.012 0.000 1.203 208 Y CB -0.127 38.327 38.460 -0.010 0.000 0.984 208 Y HN 0.472 nan 8.280 nan 0.000 0.533 209 E N -0.590 119.655 120.200 0.075 0.000 2.230 209 E HA -0.005 4.345 4.350 0.000 0.000 0.192 209 E C 1.981 178.534 176.600 -0.079 0.000 0.987 209 E CA 0.576 56.968 56.400 -0.013 0.000 0.841 209 E CB -0.077 29.671 29.700 0.079 0.000 0.783 209 E HN 0.505 nan 8.360 nan 0.000 0.481 210 A N 0.528 123.312 122.820 -0.060 0.000 2.238 210 A HA 0.019 4.340 4.320 0.000 0.000 0.208 210 A C 0.770 178.285 177.584 -0.116 0.000 1.177 210 A CA -0.008 51.987 52.037 -0.069 0.000 0.804 210 A CB -0.000 18.979 19.000 -0.035 0.000 0.823 210 A HN 0.028 nan 8.150 nan 0.000 0.482 211 R N -1.057 119.330 120.500 -0.189 0.000 3.423 211 R HA -0.138 4.202 4.340 0.000 0.000 0.271 211 R C 0.533 176.720 176.300 -0.189 0.000 1.093 211 R CA 1.165 57.119 56.100 -0.242 0.000 0.730 211 R CB -3.131 27.042 30.300 -0.212 0.000 1.190 211 R HN 0.838 nan 8.270 nan 0.000 0.437 212 R N -0.432 119.971 120.500 -0.163 0.000 2.317 212 R HA 0.224 4.564 4.340 0.000 0.000 0.208 212 R C 0.223 176.309 176.300 -0.357 0.000 0.914 212 R CA 0.686 56.680 56.100 -0.177 0.000 1.060 212 R CB 0.416 30.665 30.300 -0.086 0.000 1.015 212 R HN 0.447 nan 8.270 nan 0.000 0.498 213 F N -0.120 119.512 119.950 -0.530 0.000 2.839 213 F HA 0.161 4.688 4.527 0.000 0.000 0.344 213 F C -0.148 175.433 175.800 -0.366 0.000 1.242 213 F CA -0.756 56.830 58.000 -0.690 0.000 1.091 213 F CB 1.125 39.510 39.000 -1.024 0.000 1.374 213 F HN -0.093 nan 8.300 nan 0.000 0.553 214 T N 1.359 115.617 114.554 -0.494 0.000 3.087 214 T HA 0.476 4.827 4.350 0.000 0.000 0.283 214 T C 0.239 174.776 174.700 -0.271 0.000 0.956 214 T CA -0.225 61.602 62.100 -0.455 0.000 0.894 214 T CB 0.080 68.771 68.868 -0.296 0.000 1.160 214 T HN 0.591 nan 8.240 nan 0.000 0.532 215 R N 0.328 120.749 120.500 -0.131 0.000 2.686 215 R HA 0.767 5.107 4.340 0.000 0.000 0.283 215 R C -1.504 174.846 176.300 0.083 0.000 0.978 215 R CA -0.789 55.293 56.100 -0.030 0.000 0.897 215 R CB 2.288 32.576 30.300 -0.020 0.000 1.192 215 R HN 0.229 nan 8.270 nan 0.000 0.457 216 I N 1.347 121.952 120.570 0.058 0.000 2.498 216 I HA 0.513 4.683 4.170 0.000 0.000 0.290 216 I C -0.569 175.532 176.117 -0.028 0.000 1.032 216 I CA -0.737 60.599 61.300 0.060 0.000 1.073 216 I CB 2.236 40.300 38.000 0.107 0.000 1.251 216 I HN 0.645 nan 8.210 nan 0.000 0.426 217 A N 6.018 128.760 122.820 -0.130 0.000 2.342 217 A HA 0.838 5.158 4.320 0.000 0.000 0.323 217 A C -0.964 176.493 177.584 -0.211 0.000 1.125 217 A CA -0.544 51.362 52.037 -0.219 0.000 0.785 217 A CB 1.447 20.132 19.000 -0.524 0.000 1.221 217 A HN 0.419 nan 8.150 nan 0.000 0.463 218 V N 2.837 122.679 119.914 -0.120 0.000 2.384 218 V HA 0.314 4.434 4.120 0.000 0.000 0.287 218 V C -0.590 175.475 176.094 -0.047 0.000 1.020 218 V CA -0.590 61.661 62.300 -0.083 0.000 0.850 218 V CB 1.517 33.322 31.823 -0.031 0.000 0.987 218 V HN 0.944 nan 8.190 nan 0.000 0.436 219 D N 3.388 123.775 120.400 -0.021 0.000 2.225 219 D HA 0.331 4.971 4.640 0.000 0.000 0.249 219 D C 0.449 176.789 176.300 0.066 0.000 1.052 219 D CA 0.046 54.066 54.000 0.035 0.000 0.909 219 D CB 1.121 41.958 40.800 0.061 0.000 1.186 219 D HN 0.602 nan 8.370 nan 0.000 0.431 220 E N 1.107 121.333 120.200 0.042 0.000 2.513 220 E HA -0.160 4.190 4.350 0.000 0.000 0.257 220 E C 1.084 177.543 176.600 -0.235 0.000 1.098 220 E CA 0.252 56.624 56.400 -0.048 0.000 0.752 220 E CB -1.847 27.779 29.700 -0.124 0.000 1.324 220 E HN 0.313 nan 8.360 nan 0.000 0.403 221 V N 1.407 121.260 119.914 -0.103 0.000 2.944 221 V HA -0.282 3.838 4.120 0.000 0.000 0.265 221 V C 2.349 178.303 176.094 -0.234 0.000 1.125 221 V CA 2.521 64.728 62.300 -0.156 0.000 1.145 221 V CB -0.595 31.058 31.823 -0.283 0.000 0.725 221 V HN 0.605 nan 8.190 nan 0.000 0.510 222 H N -2.437 116.513 119.070 -0.201 0.000 2.546 222 H HA -0.056 4.500 4.556 0.001 0.000 0.277 222 H C 2.037 177.251 175.328 -0.191 0.000 1.004 222 H CA 1.258 57.200 56.048 -0.177 0.000 1.231 222 H CB -1.036 28.650 29.762 -0.126 0.000 1.382 222 H HN 0.589 nan 8.280 nan 0.000 0.580 223 C N 0.536 119.356 119.300 -0.800 0.000 2.448 223 C HA -0.013 4.447 4.460 0.000 0.000 0.280 223 C C 3.009 177.722 174.990 -0.462 0.000 1.398 223 C CA 0.063 58.612 59.018 -0.780 0.000 1.774 223 C CB -1.180 25.720 27.740 -1.400 0.000 1.888 223 C HN 0.694 nan 8.230 nan 0.000 0.519 224 C N 0.314 119.477 119.300 -0.228 0.000 2.367 224 C HA -0.097 4.364 4.460 0.000 0.000 0.276 224 C C 1.876 176.944 174.990 0.131 0.000 1.195 224 C CA 1.347 60.383 59.018 0.030 0.000 1.756 224 C CB -1.127 26.640 27.740 0.045 0.000 2.046 224 C HN 0.659 nan 8.230 nan 0.000 0.453 225 S N -0.281 115.450 115.700 0.051 0.000 2.586 225 S HA 0.142 4.612 4.470 0.000 0.000 0.274 225 S C 0.983 175.692 174.600 0.181 0.000 1.281 225 S CA -0.452 57.762 58.200 0.023 0.000 1.035 225 S CB 0.777 63.824 63.200 -0.254 0.000 0.962 225 S HN 0.413 nan 8.310 nan 0.000 0.512 226 Q N 2.121 122.043 119.800 0.202 0.000 2.181 226 Q HA -0.127 4.213 4.340 0.000 0.000 0.205 226 Q C 1.198 177.445 176.000 0.412 0.000 0.980 226 Q CA 1.604 57.547 55.803 0.234 0.000 0.862 226 Q CB -0.151 28.738 28.738 0.251 0.000 0.905 226 Q HN 0.859 nan 8.270 nan 0.000 0.429 227 W N -0.191 121.120 121.300 0.018 0.000 2.658 227 W HA 0.226 4.886 4.660 -0.000 0.000 0.263 227 W C 2.138 178.681 176.519 0.040 0.000 1.274 227 W CA 0.088 57.440 57.345 0.010 0.000 1.343 227 W CB -1.356 28.105 29.460 0.001 0.000 1.106 227 W HN 0.132 nan 8.180 nan 0.000 0.615 228 G N 0.270 109.241 108.800 0.285 0.000 2.568 228 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 228 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 228 G C 0.873 175.897 174.900 0.206 0.000 1.104 228 G CA 2.261 47.502 45.100 0.236 0.000 0.738 228 G HN 0.980 nan 8.290 nan 0.000 0.574 229 H N -1.722 117.455 119.070 0.180 0.000 2.819 229 H HA -0.107 4.450 4.556 0.000 0.000 0.315 229 H C 0.945 176.350 175.328 0.127 0.000 1.242 229 H CA 1.264 57.384 56.048 0.120 0.000 1.157 229 H CB -2.342 27.460 29.762 0.067 0.000 1.451 229 H HN 0.432 nan 8.280 nan 0.000 0.430 230 D N -1.828 118.665 120.400 0.154 0.000 2.811 230 D HA 0.113 4.753 4.640 0.000 0.000 0.370 230 D C 0.195 176.525 176.300 0.051 0.000 1.412 230 D CA -0.126 53.934 54.000 0.100 0.000 0.964 230 D CB -0.554 40.328 40.800 0.138 0.000 1.637 230 D HN 0.628 nan 8.370 nan 0.000 0.377 231 F N 2.550 122.485 119.950 -0.025 0.000 2.623 231 F HA 0.022 4.548 4.527 -0.001 0.000 0.381 231 F C 0.507 176.270 175.800 -0.061 0.000 1.081 231 F CA 0.866 58.834 58.000 -0.053 0.000 1.293 231 F CB 0.411 39.408 39.000 -0.004 0.000 1.006 231 F HN -0.214 nan 8.300 nan 0.000 0.578 232 R N 6.863 126.753 120.500 -1.016 0.000 2.521 232 R HA 0.184 4.524 4.340 0.000 0.000 0.295 232 R C -2.221 173.571 176.300 -0.847 0.000 1.183 232 R CA -1.545 54.174 56.100 -0.635 0.000 0.957 232 R CB 1.379 31.455 30.300 -0.374 0.000 1.171 232 R HN 0.364 nan 8.270 nan 0.000 0.494 233 P HA -0.192 nan 4.420 nan 0.000 0.216 233 P C 0.453 177.738 177.300 -0.025 0.000 1.153 233 P CA 1.253 64.332 63.100 -0.036 0.000 0.858 233 P CB 0.336 32.156 31.700 0.199 0.000 0.789 234 D N -2.028 118.357 120.400 -0.025 0.000 2.280 234 D HA -0.202 4.439 4.640 0.000 0.000 0.206 234 D C 1.705 177.981 176.300 -0.040 0.000 0.988 234 D CA 1.149 55.136 54.000 -0.020 0.000 0.886 234 D CB -0.884 39.892 40.800 -0.040 0.000 0.914 234 D HN 0.344 nan 8.370 nan 0.000 0.473 235 Y N 0.688 120.872 120.300 -0.193 0.000 2.352 235 Y HA -0.179 4.371 4.550 -0.000 0.000 0.292 235 Y C 2.479 178.331 175.900 -0.079 0.000 1.136 235 Y CA 0.877 58.877 58.100 -0.168 0.000 1.227 235 Y CB 0.191 38.490 38.460 -0.268 0.000 0.991 235 Y HN -0.161 nan 8.280 nan 0.000 0.545 236 K N -0.427 120.036 120.400 0.104 0.000 2.283 236 K HA -0.050 4.270 4.320 0.000 0.000 0.202 236 K C 2.190 178.820 176.600 0.049 0.000 1.048 236 K CA 0.698 57.053 56.287 0.114 0.000 0.948 236 K CB -0.822 31.782 32.500 0.172 0.000 0.742 236 K HN 0.480 nan 8.250 nan 0.000 0.458 237 A N 0.975 123.802 122.820 0.013 0.000 2.067 237 A HA 0.052 4.372 4.320 0.000 0.000 0.219 237 A C 1.953 179.519 177.584 -0.030 0.000 1.158 237 A CA 1.027 53.057 52.037 -0.012 0.000 0.661 237 A CB -0.590 18.395 19.000 -0.025 0.000 0.801 237 A HN 0.410 nan 8.150 nan 0.000 0.452 238 L N -0.290 120.905 121.223 -0.047 0.000 2.642 238 L HA -0.083 4.257 4.340 0.000 0.000 0.236 238 L C 2.356 179.211 176.870 -0.025 0.000 1.169 238 L CA 0.403 55.210 54.840 -0.056 0.000 0.851 238 L CB -0.742 41.256 42.059 -0.102 0.000 0.968 238 L HN 0.478 nan 8.230 nan 0.000 0.453 239 G N 0.536 109.325 108.800 -0.018 0.000 2.498 239 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 239 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 239 G C 1.447 176.317 174.900 -0.049 0.000 1.119 239 G CA 0.131 45.218 45.100 -0.022 0.000 0.766 239 G HN 0.341 nan 8.290 nan 0.000 0.552 240 I N 0.435 120.970 120.570 -0.059 0.000 2.916 240 I HA 0.059 4.229 4.170 0.000 0.000 0.267 240 I C 2.242 178.268 176.117 -0.151 0.000 1.263 240 I CA 0.466 61.703 61.300 -0.105 0.000 1.471 240 I CB 0.022 37.969 38.000 -0.087 0.000 1.089 240 I HN 0.120 nan 8.210 nan 0.000 0.468 241 L N -0.465 120.720 121.223 -0.064 0.000 2.068 241 L HA -0.075 4.265 4.340 0.000 0.000 0.204 241 L C 2.379 179.231 176.870 -0.030 0.000 1.076 241 L CA 0.784 55.633 54.840 0.016 0.000 0.753 241 L CB -0.673 41.455 42.059 0.115 0.000 0.910 241 L HN 0.033 nan 8.230 nan 0.000 0.439 242 K N 0.351 120.727 120.400 -0.039 0.000 2.155 242 K HA -0.059 4.261 4.320 0.000 0.000 0.203 242 K C 2.141 178.666 176.600 -0.124 0.000 1.052 242 K CA 0.937 57.194 56.287 -0.051 0.000 0.948 242 K CB -0.173 32.306 32.500 -0.035 0.000 0.728 242 K HN 0.287 nan 8.250 nan 0.000 0.448 243 R N 0.611 121.015 120.500 -0.160 0.000 2.081 243 R HA -0.083 4.257 4.340 0.000 0.000 0.235 243 R C 2.062 178.181 176.300 -0.302 0.000 1.131 243 R CA 1.106 57.094 56.100 -0.186 0.000 0.960 243 R CB 0.009 30.214 30.300 -0.158 0.000 0.856 243 R HN 0.206 nan 8.270 nan 0.000 0.436 244 Q N -0.818 118.663 119.800 -0.532 0.000 2.402 244 Q HA 0.077 4.417 4.340 0.000 0.000 0.206 244 Q C 0.076 175.411 176.000 -1.108 0.000 0.919 244 Q CA 0.699 55.988 55.803 -0.856 0.000 0.923 244 Q CB 0.736 28.803 28.738 -1.118 0.000 1.048 244 Q HN 0.325 nan 8.270 nan 0.000 0.515 245 F N 1.125 120.855 119.950 -0.366 0.000 2.566 245 F HA 0.273 4.800 4.527 0.000 0.000 0.347 245 F C -1.636 174.035 175.800 -0.215 0.000 1.515 245 F CA -1.635 55.982 58.000 -0.639 0.000 1.103 245 F CB 1.175 39.849 39.000 -0.543 0.000 1.385 245 F HN -0.093 nan 8.300 nan 0.000 0.560 246 P HA -0.123 nan 4.420 nan 0.000 0.225 246 P C 0.662 178.003 177.300 0.069 0.000 1.148 246 P CA 1.280 64.393 63.100 0.022 0.000 0.779 246 P CB 0.389 32.089 31.700 -0.001 0.000 0.780 247 N N -0.277 118.527 118.700 0.172 0.000 2.412 247 N HA 0.101 4.842 4.740 0.000 0.000 0.184 247 N C 0.757 176.276 175.510 0.015 0.000 1.101 247 N CA 0.127 53.230 53.050 0.088 0.000 0.881 247 N CB -0.188 38.337 38.487 0.064 0.000 0.969 247 N HN 0.141 nan 8.380 nan 0.000 0.459 248 A N 0.334 123.178 122.820 0.040 0.000 2.302 248 A HA 0.549 4.869 4.320 0.000 0.000 0.285 248 A C 0.472 178.028 177.584 -0.046 0.000 1.105 248 A CA -0.535 51.459 52.037 -0.072 0.000 0.816 248 A CB 0.422 19.327 19.000 -0.159 0.000 1.067 248 A HN 0.225 nan 8.150 nan 0.000 0.489 249 S N 0.752 116.411 115.700 -0.069 0.000 2.646 249 S HA 0.702 5.172 4.470 0.000 0.000 0.276 249 S C -0.446 174.134 174.600 -0.033 0.000 1.222 249 S CA -0.579 57.585 58.200 -0.060 0.000 1.014 249 S CB 1.026 64.177 63.200 -0.081 0.000 0.991 249 S HN 0.879 nan 8.310 nan 0.000 0.533 250 L N 1.735 122.940 121.223 -0.031 0.000 2.381 250 L HA 0.754 5.094 4.340 0.000 0.000 0.268 250 L C -1.337 175.543 176.870 0.016 0.000 0.997 250 L CA -0.914 53.928 54.840 0.004 0.000 0.818 250 L CB 1.756 43.830 42.059 0.025 0.000 1.310 250 L HN 0.911 nan 8.230 nan 0.000 0.416 251 I N 3.049 123.647 120.570 0.047 0.000 2.499 251 I HA 0.674 4.844 4.170 0.000 0.000 0.288 251 I C -0.481 175.707 176.117 0.119 0.000 1.048 251 I CA -0.309 61.046 61.300 0.091 0.000 1.062 251 I CB 1.724 39.762 38.000 0.064 0.000 1.238 251 I HN 0.673 nan 8.210 nan 0.000 0.426 252 G N 7.216 116.152 108.800 0.227 0.000 2.400 252 G HA2 0.700 4.660 3.960 0.000 0.000 0.333 252 G HA3 0.700 4.660 3.960 0.000 0.000 0.333 252 G C -1.637 173.261 174.900 -0.004 0.000 1.143 252 G CA -0.457 44.665 45.100 0.037 0.000 0.914 252 G HN 0.401 nan 8.290 nan 0.000 0.480 253 L N 0.539 121.743 121.223 -0.032 0.000 2.401 253 L HA 0.853 5.193 4.340 0.000 0.000 0.266 253 L C 0.202 177.087 176.870 0.025 0.000 0.991 253 L CA -0.495 54.366 54.840 0.035 0.000 0.818 253 L CB 2.579 44.699 42.059 0.103 0.000 1.321 253 L HN 0.690 nan 8.230 nan 0.000 0.413 254 T N 0.451 115.034 114.554 0.049 0.000 2.907 254 T HA 0.598 4.949 4.350 0.000 0.000 0.344 254 T C -0.562 174.172 174.700 0.057 0.000 1.675 254 T CA 0.260 62.403 62.100 0.072 0.000 1.076 254 T CB 1.284 70.200 68.868 0.079 0.000 1.483 254 T HN 0.644 nan 8.240 nan 0.000 0.487 255 A N 1.837 124.680 122.820 0.039 0.000 2.387 255 A HA 0.542 4.862 4.320 0.000 0.000 0.234 255 A C 0.557 178.143 177.584 0.004 0.000 1.253 255 A CA 0.734 52.800 52.037 0.048 0.000 0.894 255 A CB -0.144 18.898 19.000 0.071 0.000 0.963 255 A HN 1.233 nan 8.150 nan 0.000 0.508 256 T N -2.698 111.802 114.554 -0.091 0.000 3.355 256 T HA 0.662 5.012 4.350 0.000 0.000 0.324 256 T C -0.887 173.713 174.700 -0.167 0.000 0.932 256 T CA 0.204 62.213 62.100 -0.151 0.000 1.032 256 T CB 0.594 69.308 68.868 -0.257 0.000 1.027 256 T HN 1.313 nan 8.240 nan 0.000 0.456 257 A N 2.591 125.363 122.820 -0.080 0.000 2.500 257 A HA 0.703 5.024 4.320 0.000 0.000 0.291 257 A C 0.016 177.587 177.584 -0.022 0.000 1.048 257 A CA -0.864 51.143 52.037 -0.049 0.000 0.791 257 A CB 1.039 20.021 19.000 -0.031 0.000 1.309 257 A HN 0.757 nan 8.150 nan 0.000 0.397 258 T N 1.444 115.990 114.554 -0.014 0.000 2.900 258 T HA 0.073 4.423 4.350 0.000 0.000 0.307 258 T C 1.504 176.212 174.700 0.013 0.000 1.065 258 T CA 0.535 62.642 62.100 0.011 0.000 1.105 258 T CB 0.510 69.413 68.868 0.058 0.000 0.979 258 T HN 0.753 nan 8.240 nan 0.000 0.544 259 N N -0.320 118.397 118.700 0.029 0.000 2.396 259 N HA -0.135 4.605 4.740 0.000 0.000 0.180 259 N C 1.925 177.433 175.510 -0.004 0.000 1.028 259 N CA 0.922 53.989 53.050 0.028 0.000 0.893 259 N CB -0.033 38.482 38.487 0.046 0.000 0.967 259 N HN 0.576 nan 8.380 nan 0.000 0.440 260 H N -1.695 117.374 119.070 -0.002 0.000 2.363 260 H HA 0.068 4.624 4.556 0.000 0.000 0.301 260 H C 2.121 177.230 175.328 -0.364 0.000 1.074 260 H CA 1.443 57.433 56.048 -0.096 0.000 1.354 260 H CB -0.522 29.322 29.762 0.136 0.000 1.397 260 H HN 0.121 nan 8.280 nan 0.000 0.516 261 V N 0.729 120.459 119.914 -0.307 0.000 2.287 261 V HA -0.245 3.876 4.120 0.000 0.000 0.248 261 V C 2.763 178.725 176.094 -0.220 0.000 1.053 261 V CA 2.116 64.202 62.300 -0.357 0.000 1.027 261 V CB -0.718 31.024 31.823 -0.135 0.000 0.646 261 V HN 0.450 nan 8.190 nan 0.000 0.447 262 L N -0.488 120.677 121.223 -0.097 0.000 1.994 262 L HA -0.189 4.151 4.340 0.000 0.000 0.208 262 L C 2.603 179.501 176.870 0.047 0.000 1.071 262 L CA 2.188 57.029 54.840 0.001 0.000 0.745 262 L CB -0.917 41.196 42.059 0.091 0.000 0.892 262 L HN 0.342 nan 8.230 nan 0.000 0.431 263 T N -1.312 113.237 114.554 -0.009 0.000 2.962 263 T HA -0.179 4.172 4.350 0.000 0.000 0.270 263 T C 1.351 176.025 174.700 -0.044 0.000 1.088 263 T CA 1.216 63.313 62.100 -0.004 0.000 1.127 263 T CB -0.188 68.669 68.868 -0.019 0.000 0.883 263 T HN 0.288 nan 8.240 nan 0.000 0.493 264 D N 1.446 121.764 120.400 -0.137 0.000 2.075 264 D HA 0.013 4.653 4.640 0.000 0.000 0.196 264 D C 2.316 178.577 176.300 -0.064 0.000 0.985 264 D CA 1.292 55.196 54.000 -0.161 0.000 0.834 264 D CB -0.428 40.150 40.800 -0.370 0.000 0.987 264 D HN 0.300 nan 8.370 nan 0.000 0.452 265 A N 0.462 123.254 122.820 -0.047 0.000 2.032 265 A HA -0.245 4.075 4.320 0.000 0.000 0.221 265 A C 2.097 179.755 177.584 0.122 0.000 1.165 265 A CA 1.851 53.904 52.037 0.026 0.000 0.645 265 A CB -0.815 18.177 19.000 -0.013 0.000 0.807 265 A HN 0.431 nan 8.150 nan 0.000 0.453 266 Q N -0.436 119.465 119.800 0.167 0.000 2.291 266 Q HA -0.189 4.151 4.340 0.000 0.000 0.206 266 Q C 1.761 177.784 176.000 0.038 0.000 0.976 266 Q CA 1.497 57.376 55.803 0.126 0.000 0.875 266 Q CB -0.048 28.711 28.738 0.036 0.000 0.927 266 Q HN 0.673 nan 8.270 nan 0.000 0.450 267 K N 0.148 120.562 120.400 0.022 0.000 2.044 267 K HA -0.017 4.303 4.320 0.000 0.000 0.204 267 K C 2.188 178.797 176.600 0.016 0.000 1.045 267 K CA 0.801 57.092 56.287 0.006 0.000 0.951 267 K CB -0.110 32.389 32.500 -0.002 0.000 0.738 267 K HN 0.248 nan 8.250 nan 0.000 0.443 268 I N 1.784 122.370 120.570 0.026 0.000 2.113 268 I HA -0.317 3.853 4.170 0.000 0.000 0.242 268 I C 2.069 178.206 176.117 0.033 0.000 1.064 268 I CA 1.498 62.819 61.300 0.035 0.000 1.320 268 I CB -0.393 37.638 38.000 0.053 0.000 1.028 268 I HN 0.131 nan 8.210 nan 0.000 0.406 269 L N 0.323 121.575 121.223 0.049 0.000 2.633 269 L HA -0.097 4.243 4.340 0.000 0.000 0.235 269 L C 0.844 177.723 176.870 0.015 0.000 1.163 269 L CA -0.167 54.699 54.840 0.043 0.000 0.859 269 L CB -0.679 41.433 42.059 0.089 0.000 0.973 269 L HN 0.468 nan 8.230 nan 0.000 0.451 270 C N 0.611 119.913 119.300 0.003 0.000 4.235 270 C HA -0.185 4.275 4.460 0.000 0.000 0.301 270 C C 0.857 175.828 174.990 -0.031 0.000 1.409 270 C CA -0.158 58.849 59.018 -0.017 0.000 2.024 270 C CB -3.010 24.714 27.740 -0.027 0.000 1.286 270 C HN 0.352 nan 8.230 nan 0.000 0.746 271 I N 0.214 120.763 120.570 -0.036 0.000 2.577 271 I HA 0.694 4.864 4.170 0.000 0.000 0.305 271 I C -0.013 176.048 176.117 -0.094 0.000 0.986 271 I CA 0.131 61.388 61.300 -0.072 0.000 1.189 271 I CB 1.840 39.781 38.000 -0.099 0.000 1.355 271 I HN 0.321 nan 8.210 nan 0.000 0.476 272 E N 3.506 123.637 120.200 -0.116 0.000 2.649 272 E HA 0.425 4.775 4.350 0.000 0.000 0.308 272 E C -1.079 175.438 176.600 -0.138 0.000 1.017 272 E CA -0.389 55.936 56.400 -0.125 0.000 0.848 272 E CB 0.934 30.582 29.700 -0.087 0.000 1.240 272 E HN 0.554 nan 8.360 nan 0.000 0.421 273 K N 1.143 121.436 120.400 -0.177 0.000 2.583 273 K HA 0.904 5.224 4.320 0.000 0.000 0.263 273 K C -0.422 175.988 176.600 -0.318 0.000 1.038 273 K CA 0.004 56.163 56.287 -0.212 0.000 1.031 273 K CB 1.214 33.600 32.500 -0.191 0.000 1.399 273 K HN 0.763 nan 8.250 nan 0.000 0.531 274 C N 0.464 119.550 119.300 -0.358 0.000 2.716 274 C HA 0.677 5.138 4.460 0.000 0.000 0.366 274 C C -1.028 173.745 174.990 -0.362 0.000 1.073 274 C CA -1.218 57.534 59.018 -0.443 0.000 1.260 274 C CB -1.139 26.320 27.740 -0.469 0.000 1.755 274 C HN 0.679 nan 8.230 nan 0.000 0.475 275 F N 3.494 123.220 119.950 -0.373 0.000 2.418 275 F HA 0.438 4.965 4.527 0.000 0.000 0.341 275 F C 1.041 176.569 175.800 -0.453 0.000 1.120 275 F CA 0.261 58.002 58.000 -0.431 0.000 1.232 275 F CB 1.408 40.011 39.000 -0.660 0.000 1.175 275 F HN 0.470 nan 8.300 nan 0.000 0.569 276 T N 3.886 118.375 114.554 -0.108 0.000 3.008 276 T HA 0.339 4.690 4.350 0.000 0.000 0.328 276 T C -0.812 173.958 174.700 0.117 0.000 1.020 276 T CA -0.514 61.567 62.100 -0.032 0.000 1.043 276 T CB 0.190 69.112 68.868 0.090 0.000 1.010 276 T HN 0.256 nan 8.240 nan 0.000 0.466 277 F N 1.895 121.882 119.950 0.062 0.000 2.408 277 F HA 0.519 5.046 4.527 0.001 0.000 0.344 277 F C 0.820 176.655 175.800 0.058 0.000 1.112 277 F CA -0.935 57.081 58.000 0.026 0.000 1.096 277 F CB 1.488 40.475 39.000 -0.022 0.000 1.129 277 F HN 0.281 nan 8.300 nan 0.000 0.486 278 T N 2.714 117.417 114.554 0.248 0.000 2.840 278 T HA 0.564 4.915 4.350 0.000 0.000 0.287 278 T C -0.209 174.568 174.700 0.128 0.000 0.991 278 T CA -0.602 61.601 62.100 0.172 0.000 0.964 278 T CB 1.552 70.512 68.868 0.154 0.000 0.954 278 T HN 0.678 nan 8.240 nan 0.000 0.438 279 A N 2.646 125.539 122.820 0.122 0.000 2.271 279 A HA 0.793 5.113 4.320 0.000 0.000 0.288 279 A C 0.705 178.354 177.584 0.109 0.000 1.094 279 A CA -0.654 51.441 52.037 0.097 0.000 0.828 279 A CB 0.392 19.450 19.000 0.096 0.000 1.091 279 A HN 0.860 nan 8.150 nan 0.000 0.493 280 S N -0.218 115.529 115.700 0.077 0.000 2.616 280 S HA 0.412 4.882 4.470 0.000 0.000 0.277 280 S C 0.655 175.285 174.600 0.049 0.000 1.234 280 S CA 0.078 58.312 58.200 0.057 0.000 1.028 280 S CB 0.386 63.580 63.200 -0.010 0.000 0.988 280 S HN 1.336 nan 8.310 nan 0.000 0.522 281 F N 2.183 122.155 119.950 0.037 0.000 2.365 281 F HA 0.193 4.720 4.527 0.000 0.000 0.300 281 F C 0.609 176.451 175.800 0.069 0.000 1.090 281 F CA 0.125 58.105 58.000 -0.033 0.000 1.408 281 F CB -1.052 37.698 39.000 -0.416 0.000 1.060 281 F HN 0.592 nan 8.300 nan 0.000 0.534 282 N N 1.826 120.092 118.700 -0.724 0.000 2.483 282 N HA 0.075 4.815 4.740 0.000 0.000 0.264 282 N C -0.863 174.628 175.510 -0.032 0.000 1.197 282 N CA -0.082 52.645 53.050 -0.539 0.000 0.927 282 N CB 0.335 38.518 38.487 -0.506 0.000 1.065 282 N HN 0.122 nan 8.380 nan 0.000 0.461 283 R N 4.944 125.511 120.500 0.112 0.000 2.335 283 R HA 0.239 4.579 4.340 0.000 0.000 0.302 283 R C -1.920 174.448 176.300 0.113 0.000 1.147 283 R CA -1.582 54.590 56.100 0.121 0.000 1.111 283 R CB 1.008 31.393 30.300 0.142 0.000 1.122 283 R HN 0.590 nan 8.270 nan 0.000 0.557 284 P HA -0.132 nan 4.420 nan 0.000 0.221 284 P C 0.731 178.084 177.300 0.087 0.000 1.145 284 P CA 1.043 64.205 63.100 0.103 0.000 0.795 284 P CB 0.301 32.050 31.700 0.082 0.000 0.775 285 N N -0.691 118.046 118.700 0.062 0.000 2.398 285 N HA -0.019 4.721 4.740 0.000 0.000 0.188 285 N C 0.131 175.660 175.510 0.031 0.000 1.122 285 N CA 0.273 53.353 53.050 0.050 0.000 0.866 285 N CB -0.366 38.145 38.487 0.040 0.000 0.970 285 N HN 0.196 nan 8.380 nan 0.000 0.462 286 L N 0.937 122.151 121.223 -0.015 0.000 2.307 286 L HA 0.314 4.654 4.340 0.000 0.000 0.282 286 L C -0.741 176.010 176.870 -0.198 0.000 1.051 286 L CA -1.146 53.608 54.840 -0.144 0.000 0.804 286 L CB 0.915 42.795 42.059 -0.298 0.000 1.197 286 L HN 0.008 nan 8.230 nan 0.000 0.431 287 Y N 3.027 123.183 120.300 -0.239 0.000 2.335 287 Y HA 0.400 4.950 4.550 0.000 0.000 0.339 287 Y C -1.103 174.705 175.900 -0.154 0.000 0.987 287 Y CA -0.528 57.493 58.100 -0.130 0.000 1.140 287 Y CB 0.640 39.102 38.460 0.003 0.000 1.173 287 Y HN 0.308 nan 8.280 nan 0.000 0.486 288 Y N 4.638 124.675 120.300 -0.437 0.000 2.331 288 Y HA 0.453 5.003 4.550 0.000 0.000 0.338 288 Y C -0.039 175.644 175.900 -0.361 0.000 0.992 288 Y CA -0.821 57.146 58.100 -0.221 0.000 1.121 288 Y CB 1.477 39.913 38.460 -0.040 0.000 1.184 288 Y HN 0.616 nan 8.280 nan 0.000 0.469 289 E N 1.860 122.086 120.200 0.044 0.000 2.356 289 E HA 0.715 5.065 4.350 0.000 0.000 0.275 289 E C -2.002 174.615 176.600 0.028 0.000 0.904 289 E CA -0.761 55.642 56.400 0.005 0.000 0.757 289 E CB 2.167 31.938 29.700 0.118 0.000 1.232 289 E HN 0.407 nan 8.360 nan 0.000 0.442 290 V N 3.684 123.570 119.914 -0.047 0.000 2.487 290 V HA 0.565 4.685 4.120 0.000 0.000 0.298 290 V C -0.219 175.829 176.094 -0.077 0.000 1.028 290 V CA -0.668 61.586 62.300 -0.076 0.000 0.860 290 V CB 1.625 33.359 31.823 -0.148 0.000 0.991 290 V HN 0.639 nan 8.190 nan 0.000 0.427 291 R N 1.975 122.398 120.500 -0.129 0.000 2.892 291 R HA 0.582 4.922 4.340 0.000 0.000 0.265 291 R C -0.796 175.507 176.300 0.004 0.000 1.025 291 R CA -1.076 54.960 56.100 -0.108 0.000 0.982 291 R CB 1.794 31.934 30.300 -0.266 0.000 1.185 291 R HN 0.670 nan 8.270 nan 0.000 0.484 292 Q N 2.128 121.954 119.800 0.042 0.000 2.297 292 Q HA 0.031 4.372 4.340 0.000 0.000 0.267 292 Q C -0.822 175.208 176.000 0.050 0.000 1.006 292 Q CA 0.350 56.179 55.803 0.043 0.000 0.896 292 Q CB 0.747 29.491 28.738 0.009 0.000 1.186 292 Q HN 0.318 nan 8.270 nan 0.000 0.392 293 K N 5.835 126.214 120.400 -0.034 0.000 2.383 293 K HA 0.255 4.575 4.320 0.000 0.000 0.286 293 K C -2.239 174.180 176.600 -0.301 0.000 1.051 293 K CA -1.611 54.517 56.287 -0.265 0.000 0.974 293 K CB 0.419 32.742 32.500 -0.295 0.000 0.968 293 K HN 0.479 nan 8.250 nan 0.000 0.475 294 P HA -0.023 nan 4.420 nan 0.000 0.271 294 P C 0.066 177.279 177.300 -0.146 0.000 1.218 294 P CA -0.238 62.742 63.100 -0.200 0.000 0.780 294 P CB 1.446 33.065 31.700 -0.135 0.000 0.901 295 S N 1.939 117.595 115.700 -0.072 0.000 2.402 295 S HA -0.105 4.365 4.470 0.000 0.000 0.229 295 S C 0.907 175.507 174.600 0.000 0.000 1.021 295 S CA 0.710 58.888 58.200 -0.038 0.000 0.974 295 S CB -0.568 62.613 63.200 -0.031 0.000 0.800 295 S HN 0.559 nan 8.310 nan 0.000 0.484 296 N N 0.846 119.557 118.700 0.017 0.000 2.419 296 N HA 0.129 4.869 4.740 0.000 0.000 0.277 296 N C 1.077 176.642 175.510 0.091 0.000 1.006 296 N CA 0.622 53.699 53.050 0.045 0.000 0.923 296 N CB 1.841 40.348 38.487 0.034 0.000 1.140 296 N HN 0.358 nan 8.380 nan 0.000 0.488 297 T N 0.654 115.270 114.554 0.102 0.000 2.788 297 T HA -0.160 4.190 4.350 0.000 0.000 0.268 297 T C 1.728 176.497 174.700 0.115 0.000 1.044 297 T CA 1.974 64.160 62.100 0.144 0.000 1.139 297 T CB -0.476 68.465 68.868 0.122 0.000 0.867 297 T HN 0.570 nan 8.240 nan 0.000 0.454 298 E N 1.934 122.178 120.200 0.074 0.000 2.150 298 E HA -0.137 4.213 4.350 0.000 0.000 0.193 298 E C 1.839 178.479 176.600 0.066 0.000 0.985 298 E CA 1.504 57.935 56.400 0.053 0.000 0.814 298 E CB -1.097 28.623 29.700 0.034 0.000 0.752 298 E HN 0.746 nan 8.360 nan 0.000 0.466 299 D N -0.659 119.792 120.400 0.086 0.000 2.097 299 D HA -0.050 4.590 4.640 0.000 0.000 0.197 299 D C 1.663 178.060 176.300 0.162 0.000 0.984 299 D CA 0.869 54.925 54.000 0.094 0.000 0.826 299 D CB -0.505 40.338 40.800 0.073 0.000 0.973 299 D HN 0.385 nan 8.370 nan 0.000 0.460 300 F N 1.656 121.587 119.950 -0.031 0.000 2.126 300 F HA -0.158 4.370 4.527 0.000 0.000 0.299 300 F C 1.984 177.756 175.800 -0.046 0.000 1.096 300 F CA 0.775 58.730 58.000 -0.075 0.000 1.255 300 F CB -0.417 38.517 39.000 -0.110 0.000 0.997 300 F HN -0.118 nan 8.300 nan 0.000 0.479 301 I N 0.294 120.862 120.570 -0.003 0.000 2.394 301 I HA -0.247 3.923 4.170 0.000 0.000 0.251 301 I C 2.374 178.476 176.117 -0.025 0.000 1.136 301 I CA 1.334 62.571 61.300 -0.106 0.000 1.425 301 I CB -1.379 36.576 38.000 -0.076 0.000 1.079 301 I HN 0.276 nan 8.210 nan 0.000 0.425 302 E N 1.160 121.378 120.200 0.030 0.000 2.031 302 E HA -0.274 4.076 4.350 0.000 0.000 0.193 302 E C 1.764 178.397 176.600 0.056 0.000 0.994 302 E CA 1.713 58.135 56.400 0.036 0.000 0.800 302 E CB 0.057 29.782 29.700 0.042 0.000 0.752 302 E HN 0.288 nan 8.360 nan 0.000 0.447 303 D N 0.190 120.651 120.400 0.102 0.000 2.133 303 D HA -0.203 4.437 4.640 0.000 0.000 0.192 303 D C 1.873 178.253 176.300 0.133 0.000 1.001 303 D CA 1.366 55.450 54.000 0.141 0.000 0.844 303 D CB -0.137 40.803 40.800 0.233 0.000 0.944 303 D HN 0.272 nan 8.370 nan 0.000 0.447 304 I N -0.342 120.289 120.570 0.101 0.000 2.226 304 I HA -0.224 3.947 4.170 0.000 0.000 0.245 304 I C 2.289 178.434 176.117 0.045 0.000 1.100 304 I CA 0.468 61.815 61.300 0.078 0.000 1.374 304 I CB -0.107 37.879 38.000 -0.025 0.000 1.057 304 I HN -0.052 nan 8.210 nan 0.000 0.413 305 V N 0.955 120.881 119.914 0.021 0.000 2.407 305 V HA -0.291 3.829 4.120 0.000 0.000 0.248 305 V C 2.353 178.451 176.094 0.008 0.000 1.055 305 V CA 1.816 64.123 62.300 0.012 0.000 1.049 305 V CB -0.679 31.145 31.823 0.003 0.000 0.662 305 V HN 0.405 nan 8.190 nan 0.000 0.455 306 K N -0.285 120.124 120.400 0.014 0.000 2.148 306 K HA -0.053 4.267 4.320 0.000 0.000 0.204 306 K C 2.017 178.593 176.600 -0.041 0.000 1.050 306 K CA 1.129 57.413 56.287 -0.004 0.000 0.942 306 K CB -0.200 32.307 32.500 0.011 0.000 0.724 306 K HN 0.386 nan 8.250 nan 0.000 0.446 307 L N 0.561 121.765 121.223 -0.033 0.000 2.072 307 L HA -0.121 4.219 4.340 0.000 0.000 0.205 307 L C 2.270 179.056 176.870 -0.140 0.000 1.079 307 L CA 1.054 55.820 54.840 -0.124 0.000 0.752 307 L CB -0.403 41.644 42.059 -0.020 0.000 0.906 307 L HN 0.143 nan 8.230 nan 0.000 0.436 308 I N 0.070 120.611 120.570 -0.048 0.000 2.252 308 I HA -0.225 3.945 4.170 0.000 0.000 0.245 308 I C 1.764 177.882 176.117 0.003 0.000 1.102 308 I CA 1.115 62.406 61.300 -0.016 0.000 1.385 308 I CB -0.389 37.635 38.000 0.041 0.000 1.064 308 I HN 0.332 nan 8.210 nan 0.000 0.414 309 N N 0.872 119.567 118.700 -0.009 0.000 2.463 309 N HA 0.009 4.749 4.740 0.000 0.000 0.181 309 N C 1.238 176.729 175.510 -0.032 0.000 1.078 309 N CA 0.721 53.768 53.050 -0.005 0.000 0.902 309 N CB 0.104 38.591 38.487 -0.001 0.000 0.970 309 N HN 0.377 nan 8.380 nan 0.000 0.451 310 G N 1.435 110.190 108.800 -0.075 0.000 2.964 310 G HA2 -0.046 3.914 3.960 0.000 0.000 0.191 310 G HA3 -0.046 3.914 3.960 0.000 0.000 0.191 310 G C 1.218 176.018 174.900 -0.166 0.000 1.978 310 G CA 0.161 45.194 45.100 -0.112 0.000 0.861 310 G HN 0.276 nan 8.290 nan 0.000 0.584 311 R N -0.814 119.500 120.500 -0.310 0.000 2.115 311 R HA 0.035 4.375 4.340 0.000 0.000 0.230 311 R C 1.652 177.749 176.300 -0.339 0.000 1.111 311 R CA 1.497 57.370 56.100 -0.379 0.000 0.976 311 R CB -0.617 29.371 30.300 -0.520 0.000 0.870 311 R HN 0.532 nan 8.270 nan 0.000 0.445 312 Y N 1.273 121.507 120.300 -0.109 0.000 2.470 312 Y HA 0.210 4.760 4.550 0.000 0.000 0.284 312 Y C 0.310 176.200 175.900 -0.018 0.000 1.188 312 Y CA -0.870 57.170 58.100 -0.099 0.000 1.269 312 Y CB 0.197 38.435 38.460 -0.369 0.000 1.094 312 Y HN -0.021 nan 8.280 nan 0.000 0.518 313 K N 1.040 121.481 120.400 0.069 0.000 2.472 313 K HA 0.162 4.482 4.320 0.000 0.000 0.280 313 K C 1.185 177.841 176.600 0.093 0.000 1.028 313 K CA 1.188 57.519 56.287 0.073 0.000 1.045 313 K CB 0.112 32.630 32.500 0.031 0.000 0.902 313 K HN 0.528 nan 8.250 nan 0.000 0.478 314 G N 2.668 111.530 108.800 0.104 0.000 2.195 314 G HA2 -0.270 3.690 3.960 0.000 0.000 0.246 314 G HA3 -0.270 3.690 3.960 0.000 0.000 0.246 314 G C -0.249 174.713 174.900 0.102 0.000 0.984 314 G CA 0.207 45.359 45.100 0.087 0.000 0.633 314 G HN 0.638 nan 8.290 nan 0.000 0.525 315 Q N 0.363 120.265 119.800 0.169 0.000 2.257 315 Q HA 0.663 5.003 4.340 0.000 0.000 0.262 315 Q C -0.362 175.770 176.000 0.219 0.000 0.997 315 Q CA -0.495 55.418 55.803 0.182 0.000 0.873 315 Q CB 1.772 30.653 28.738 0.238 0.000 1.312 315 Q HN 0.168 nan 8.270 nan 0.000 0.450 316 S N 0.259 115.996 115.700 0.063 0.000 2.545 316 S HA 0.661 5.132 4.470 0.000 0.000 0.275 316 S C -0.160 174.298 174.600 -0.237 0.000 1.299 316 S CA -0.404 57.762 58.200 -0.056 0.000 1.048 316 S CB 0.885 63.923 63.200 -0.270 0.000 0.938 316 S HN 0.690 nan 8.310 nan 0.000 0.496 317 G N 1.451 109.997 108.800 -0.424 0.000 2.687 317 G HA2 0.720 4.681 3.960 0.000 0.000 0.291 317 G HA3 0.720 4.681 3.960 0.000 0.000 0.291 317 G C -1.592 172.987 174.900 -0.534 0.000 1.420 317 G CA -0.680 43.692 45.100 -1.212 0.000 0.796 317 G HN 0.619 nan 8.290 nan 0.000 0.485 318 I N 0.097 120.318 120.570 -0.583 0.000 2.647 318 I HA 0.462 4.632 4.170 0.000 0.000 0.295 318 I C -0.908 174.971 176.117 -0.396 0.000 1.078 318 I CA -0.747 60.264 61.300 -0.482 0.000 1.048 318 I CB 2.506 40.194 38.000 -0.520 0.000 1.239 318 I HN 0.193 nan 8.210 nan 0.000 0.421 319 I N 5.236 125.573 120.570 -0.388 0.000 2.389 319 I HA 0.326 4.496 4.170 0.000 0.000 0.288 319 I C -1.088 174.817 176.117 -0.353 0.000 0.999 319 I CA -0.557 60.604 61.300 -0.232 0.000 1.129 319 I CB 1.490 39.444 38.000 -0.076 0.000 1.288 319 I HN 0.409 nan 8.210 nan 0.000 0.444 320 Y N 4.725 124.942 120.300 -0.138 0.000 2.326 320 Y HA 0.370 4.920 4.550 0.000 0.000 0.337 320 Y C 0.340 176.254 175.900 0.023 0.000 1.023 320 Y CA -0.393 57.626 58.100 -0.135 0.000 1.143 320 Y CB 1.290 39.548 38.460 -0.335 0.000 1.183 320 Y HN 0.535 nan 8.280 nan 0.000 0.485 321 C N 3.401 122.840 119.300 0.231 0.000 2.505 321 C HA 0.236 4.696 4.460 0.000 0.000 0.358 321 C C 1.496 176.656 174.990 0.284 0.000 1.226 321 C CA -0.784 58.375 59.018 0.235 0.000 1.900 321 C CB 0.937 28.718 27.740 0.069 0.000 2.306 321 C HN 0.986 nan 8.230 nan 0.000 0.512 322 F N 2.006 122.061 119.950 0.176 0.000 2.118 322 F HA 0.081 4.608 4.527 0.000 0.000 0.293 322 F C 1.397 177.244 175.800 0.078 0.000 1.102 322 F CA 1.665 59.747 58.000 0.137 0.000 1.247 322 F CB -0.208 38.882 39.000 0.149 0.000 1.017 322 F HN 0.667 nan 8.300 nan 0.000 0.475 323 S N -0.927 114.686 115.700 -0.145 0.000 2.759 323 S HA 0.318 4.789 4.470 0.000 0.000 0.310 323 S C 0.530 175.010 174.600 -0.201 0.000 1.123 323 S CA -0.640 57.380 58.200 -0.299 0.000 0.959 323 S CB 1.492 64.600 63.200 -0.152 0.000 1.172 323 S HN 0.377 nan 8.310 nan 0.000 0.539 324 Q N 0.060 119.693 119.800 -0.277 0.000 2.123 324 Q HA -0.009 4.331 4.340 0.000 0.000 0.199 324 Q C 1.925 177.727 176.000 -0.331 0.000 0.966 324 Q CA 1.153 56.675 55.803 -0.469 0.000 0.845 324 Q CB -0.219 28.116 28.738 -0.672 0.000 0.907 324 Q HN 0.768 nan 8.270 nan 0.000 0.439 325 K N 0.697 120.987 120.400 -0.184 0.000 2.057 325 K HA -0.162 4.158 4.320 0.000 0.000 0.206 325 K C 1.335 177.904 176.600 -0.052 0.000 1.050 325 K CA 1.504 57.734 56.287 -0.093 0.000 0.935 325 K CB 0.162 32.635 32.500 -0.046 0.000 0.715 325 K HN 0.049 nan 8.250 nan 0.000 0.439 326 D N -0.135 120.252 120.400 -0.022 0.000 2.104 326 D HA -0.173 4.467 4.640 0.000 0.000 0.194 326 D C 1.881 178.127 176.300 -0.089 0.000 0.994 326 D CA 1.283 55.274 54.000 -0.015 0.000 0.830 326 D CB -0.554 40.288 40.800 0.071 0.000 0.959 326 D HN 0.147 nan 8.370 nan 0.000 0.452 327 S N -0.188 115.464 115.700 -0.080 0.000 2.392 327 S HA -0.230 4.240 4.470 0.000 0.000 0.232 327 S C 1.724 176.295 174.600 -0.048 0.000 1.041 327 S CA 1.499 59.658 58.200 -0.069 0.000 1.026 327 S CB -0.076 63.111 63.200 -0.021 0.000 0.845 327 S HN 0.271 nan 8.310 nan 0.000 0.465 328 E N -0.190 119.990 120.200 -0.034 0.000 2.122 328 E HA -0.036 4.314 4.350 0.000 0.000 0.190 328 E C 2.493 179.070 176.600 -0.038 0.000 0.977 328 E CA 0.753 57.144 56.400 -0.014 0.000 0.820 328 E CB -0.065 29.642 29.700 0.011 0.000 0.770 328 E HN 0.629 nan 8.360 nan 0.000 0.462 329 Q N 0.280 120.051 119.800 -0.048 0.000 2.123 329 Q HA -0.098 4.242 4.340 0.000 0.000 0.199 329 Q C 2.363 178.320 176.000 -0.072 0.000 0.966 329 Q CA 1.016 56.792 55.803 -0.046 0.000 0.845 329 Q CB 0.103 28.824 28.738 -0.028 0.000 0.907 329 Q HN 0.132 nan 8.270 nan 0.000 0.439 330 V N 0.929 120.770 119.914 -0.122 0.000 2.233 330 V HA -0.300 3.821 4.120 0.000 0.000 0.247 330 V C 2.245 178.270 176.094 -0.114 0.000 1.050 330 V CA 2.312 64.514 62.300 -0.163 0.000 1.010 330 V CB -1.116 30.529 31.823 -0.295 0.000 0.637 330 V HN 0.431 nan 8.190 nan 0.000 0.444 331 T N 0.314 114.808 114.554 -0.101 0.000 2.620 331 T HA -0.268 4.082 4.350 0.000 0.000 0.267 331 T C 1.891 176.558 174.700 -0.054 0.000 1.044 331 T CA 2.063 64.120 62.100 -0.073 0.000 1.161 331 T CB -0.538 68.293 68.868 -0.062 0.000 0.862 331 T HN 0.276 nan 8.240 nan 0.000 0.438 332 V N 1.214 121.100 119.914 -0.046 0.000 2.392 332 V HA -0.194 3.926 4.120 0.000 0.000 0.249 332 V C 2.688 178.759 176.094 -0.039 0.000 1.059 332 V CA 2.008 64.286 62.300 -0.036 0.000 1.051 332 V CB -0.753 31.053 31.823 -0.028 0.000 0.658 332 V HN 0.460 nan 8.190 nan 0.000 0.455 333 S N -0.152 115.520 115.700 -0.047 0.000 2.371 333 S HA -0.016 4.454 4.470 0.000 0.000 0.224 333 S C 1.859 176.431 174.600 -0.047 0.000 1.029 333 S CA 1.249 59.422 58.200 -0.045 0.000 0.978 333 S CB -0.245 62.925 63.200 -0.051 0.000 0.833 333 S HN 0.490 nan 8.310 nan 0.000 0.466 334 L N 1.267 122.458 121.223 -0.053 0.000 2.056 334 L HA -0.128 4.213 4.340 0.000 0.000 0.207 334 L C 2.692 179.533 176.870 -0.048 0.000 1.078 334 L CA 1.158 55.971 54.840 -0.045 0.000 0.749 334 L CB -0.627 41.410 42.059 -0.037 0.000 0.901 334 L HN 0.306 nan 8.230 nan 0.000 0.433 335 Q N 0.060 119.830 119.800 -0.049 0.000 2.135 335 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 335 Q C 1.720 177.685 176.000 -0.059 0.000 0.981 335 Q CA 1.351 57.120 55.803 -0.057 0.000 0.856 335 Q CB -0.126 28.587 28.738 -0.042 0.000 0.902 335 Q HN 0.446 nan 8.270 nan 0.000 0.425 336 N N -0.036 118.637 118.700 -0.045 0.000 2.571 336 N HA -0.028 4.712 4.740 0.000 0.000 0.189 336 N C 0.437 175.924 175.510 -0.038 0.000 1.154 336 N CA 0.763 53.790 53.050 -0.038 0.000 0.907 336 N CB 0.297 38.767 38.487 -0.028 0.000 0.977 336 N HN 0.240 nan 8.380 nan 0.000 0.449 337 L N -1.488 119.708 121.223 -0.045 0.000 3.168 337 L HA 0.323 4.664 4.340 0.000 0.000 0.277 337 L C 1.014 177.852 176.870 -0.054 0.000 1.245 337 L CA -0.215 54.601 54.840 -0.040 0.000 1.035 337 L CB 0.361 42.403 42.059 -0.029 0.000 1.399 337 L HN 0.028 nan 8.230 nan 0.000 0.580 338 G N 0.483 109.232 108.800 -0.085 0.000 2.179 338 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 338 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 338 G C 0.330 175.118 174.900 -0.188 0.000 0.977 338 G CA -0.284 44.736 45.100 -0.133 0.000 0.641 338 G HN 0.198 nan 8.290 nan 0.000 0.533 339 I N 1.210 121.705 120.570 -0.125 0.000 2.529 339 I HA 0.203 4.373 4.170 0.000 0.000 0.284 339 I C 0.684 176.727 176.117 -0.123 0.000 1.082 339 I CA -0.481 60.771 61.300 -0.079 0.000 1.406 339 I CB 0.495 38.489 38.000 -0.009 0.000 1.405 339 I HN 0.112 nan 8.210 nan 0.000 0.548 340 H N 4.675 123.768 119.070 0.040 0.000 3.118 340 H HA 0.481 5.037 4.556 0.000 0.000 0.266 340 H C 0.105 175.460 175.328 0.043 0.000 1.465 340 H CA -0.131 55.941 56.048 0.040 0.000 1.460 340 H CB 0.344 30.134 29.762 0.047 0.000 1.661 340 H HN 0.700 nan 8.280 nan 0.000 0.516 341 A N 2.476 125.353 122.820 0.095 0.000 2.401 341 A HA 0.796 5.117 4.320 0.000 0.000 0.310 341 A C 0.089 177.678 177.584 0.009 0.000 1.075 341 A CA -0.353 51.711 52.037 0.044 0.000 0.746 341 A CB 1.494 20.497 19.000 0.005 0.000 1.277 341 A HN 0.642 nan 8.150 nan 0.000 0.425 342 G N -0.364 108.416 108.800 -0.033 0.000 2.563 342 G HA2 0.729 4.689 3.960 0.000 0.000 0.302 342 G HA3 0.729 4.689 3.960 0.000 0.000 0.302 342 G C -0.384 174.452 174.900 -0.108 0.000 1.301 342 G CA 0.091 45.159 45.100 -0.053 0.000 0.965 342 G HN 1.461 nan 8.290 nan 0.000 0.480 343 A N 0.348 123.121 122.820 -0.078 0.000 2.316 343 A HA 0.735 5.055 4.320 0.000 0.000 0.284 343 A C -1.387 176.165 177.584 -0.053 0.000 1.115 343 A CA -0.475 51.521 52.037 -0.068 0.000 0.812 343 A CB 0.754 19.740 19.000 -0.023 0.000 1.064 343 A HN 1.020 nan 8.150 nan 0.000 0.489 344 Y N 1.998 122.188 120.300 -0.182 0.000 2.332 344 Y HA 0.527 5.077 4.550 0.000 0.000 0.325 344 Y C -0.422 175.468 175.900 -0.018 0.000 1.054 344 Y CA -0.318 57.678 58.100 -0.174 0.000 1.119 344 Y CB 1.401 39.681 38.460 -0.299 0.000 1.168 344 Y HN 1.112 nan 8.280 nan 0.000 0.439 345 H N 2.078 121.043 119.070 -0.175 0.000 2.948 345 H HA 0.678 5.234 4.556 0.000 0.000 0.315 345 H C -0.347 174.896 175.328 -0.142 0.000 1.360 345 H CA -0.548 55.462 56.048 -0.063 0.000 1.125 345 H CB 0.957 30.699 29.762 -0.033 0.000 1.844 345 H HN 0.411 nan 8.280 nan 0.000 0.529 346 A N 0.249 123.163 122.820 0.156 0.000 2.066 346 A HA -0.096 4.225 4.320 0.000 0.000 0.218 346 A C 1.160 178.759 177.584 0.025 0.000 1.157 346 A CA 1.463 53.530 52.037 0.049 0.000 0.670 346 A CB -0.903 18.138 19.000 0.068 0.000 0.804 346 A HN 0.705 nan 8.150 nan 0.000 0.453 347 N N -0.485 118.304 118.700 0.148 0.000 2.370 347 N HA 0.253 4.993 4.740 0.000 0.000 0.198 347 N C -0.262 175.197 175.510 -0.084 0.000 1.156 347 N CA 0.018 53.107 53.050 0.065 0.000 0.839 347 N CB -0.117 38.472 38.487 0.170 0.000 0.989 347 N HN 0.433 nan 8.380 nan 0.000 0.468 348 L N 0.582 121.631 121.223 -0.290 0.000 2.399 348 L HA 0.248 4.588 4.340 0.000 0.000 0.266 348 L C 0.677 177.432 176.870 -0.192 0.000 1.114 348 L CA -0.875 53.781 54.840 -0.308 0.000 0.804 348 L CB 0.684 42.447 42.059 -0.494 0.000 1.146 348 L HN 0.111 nan 8.230 nan 0.000 0.451 349 E N 2.170 122.286 120.200 -0.140 0.000 2.437 349 E HA -0.018 4.333 4.350 0.000 0.000 0.263 349 E C -1.656 174.879 176.600 -0.107 0.000 1.030 349 E CA -1.388 54.953 56.400 -0.098 0.000 0.934 349 E CB 0.324 29.982 29.700 -0.071 0.000 0.943 349 E HN 0.342 nan 8.360 nan 0.000 0.444 350 P HA -0.139 nan 4.420 nan 0.000 0.219 350 P C 0.889 178.167 177.300 -0.037 0.000 1.146 350 P CA 1.187 64.254 63.100 -0.054 0.000 0.808 350 P CB 0.322 32.004 31.700 -0.029 0.000 0.779 351 E N -0.234 119.944 120.200 -0.037 0.000 2.023 351 E HA -0.221 4.129 4.350 0.000 0.000 0.196 351 E C 1.796 178.382 176.600 -0.023 0.000 1.003 351 E CA 1.232 57.618 56.400 -0.023 0.000 0.809 351 E CB -0.699 28.986 29.700 -0.025 0.000 0.755 351 E HN 0.206 nan 8.360 nan 0.000 0.449 352 D N 0.793 121.160 120.400 -0.054 0.000 2.126 352 D HA -0.175 4.465 4.640 0.000 0.000 0.190 352 D C 1.841 178.105 176.300 -0.059 0.000 1.001 352 D CA 1.319 55.278 54.000 -0.068 0.000 0.841 352 D CB -0.003 40.724 40.800 -0.122 0.000 0.949 352 D HN 0.047 nan 8.370 nan 0.000 0.446 353 K N -0.529 119.801 120.400 -0.116 0.000 2.009 353 K HA -0.117 4.203 4.320 0.000 0.000 0.210 353 K C 2.246 178.967 176.600 0.202 0.000 1.049 353 K CA 1.693 57.932 56.287 -0.081 0.000 0.929 353 K CB -0.366 32.015 32.500 -0.199 0.000 0.714 353 K HN 0.104 nan 8.250 nan 0.000 0.440 354 T N 0.555 115.185 114.554 0.127 0.000 2.720 354 T HA -0.139 4.211 4.350 0.000 0.000 0.268 354 T C 1.962 176.739 174.700 0.129 0.000 1.037 354 T CA 1.800 63.980 62.100 0.133 0.000 1.144 354 T CB -0.349 68.553 68.868 0.057 0.000 0.864 354 T HN 0.285 nan 8.240 nan 0.000 0.444 355 T N 1.688 116.297 114.554 0.091 0.000 2.708 355 T HA -0.071 4.279 4.350 0.000 0.000 0.266 355 T C 2.174 176.954 174.700 0.132 0.000 1.037 355 T CA 0.958 63.108 62.100 0.085 0.000 1.146 355 T CB -0.505 68.391 68.868 0.046 0.000 0.865 355 T HN 0.127 nan 8.240 nan 0.000 0.435 356 V N 1.272 121.275 119.914 0.149 0.000 2.332 356 V HA -0.203 3.918 4.120 0.000 0.000 0.248 356 V C 2.421 178.677 176.094 0.272 0.000 1.055 356 V CA 1.875 64.275 62.300 0.166 0.000 1.038 356 V CB -0.688 31.219 31.823 0.140 0.000 0.651 356 V HN 0.561 nan 8.190 nan 0.000 0.450 357 H N 0.563 119.769 119.070 0.226 0.000 2.423 357 H HA -0.119 4.437 4.556 0.000 0.000 0.297 357 H C 2.397 177.877 175.328 0.253 0.000 1.075 357 H CA 2.144 58.353 56.048 0.268 0.000 1.342 357 H CB -0.103 29.822 29.762 0.272 0.000 1.395 357 H HN 0.383 nan 8.280 nan 0.000 0.530 358 R N 0.699 121.363 120.500 0.273 0.000 2.057 358 R HA -0.061 4.279 4.340 0.000 0.000 0.229 358 R C 2.181 178.579 176.300 0.164 0.000 1.136 358 R CA 1.273 57.461 56.100 0.146 0.000 0.952 358 R CB 0.052 30.391 30.300 0.064 0.000 0.848 358 R HN 0.203 nan 8.270 nan 0.000 0.430 359 K N -0.617 119.882 120.400 0.164 0.000 2.147 359 K HA -0.203 4.117 4.320 0.000 0.000 0.205 359 K C 1.734 178.441 176.600 0.179 0.000 1.049 359 K CA 1.524 57.890 56.287 0.131 0.000 0.936 359 K CB -0.271 32.293 32.500 0.106 0.000 0.722 359 K HN 0.306 nan 8.250 nan 0.000 0.446 360 W N 1.637 122.971 121.300 0.058 0.000 2.381 360 W HA -0.122 4.538 4.660 0.000 0.000 0.301 360 W C 2.059 178.610 176.519 0.053 0.000 1.205 360 W CA 1.328 58.696 57.345 0.040 0.000 1.285 360 W CB -0.224 29.256 29.460 0.033 0.000 1.133 360 W HN -0.134 nan 8.180 nan 0.000 0.521 361 S N -0.075 115.737 115.700 0.185 0.000 2.423 361 S HA -0.070 4.400 4.470 0.000 0.000 0.231 361 S C 1.742 176.292 174.600 -0.082 0.000 1.014 361 S CA 1.168 59.361 58.200 -0.013 0.000 0.965 361 S CB -0.510 62.764 63.200 0.123 0.000 0.785 361 S HN 0.330 nan 8.310 nan 0.000 0.495 362 A N 0.953 123.753 122.820 -0.032 0.000 2.275 362 A HA 0.231 4.551 4.320 0.000 0.000 0.212 362 A C 0.668 178.210 177.584 -0.069 0.000 1.201 362 A CA -0.007 52.004 52.037 -0.044 0.000 0.843 362 A CB -0.055 18.937 19.000 -0.013 0.000 0.873 362 A HN 0.421 nan 8.150 nan 0.000 0.492 363 N N -1.180 117.459 118.700 -0.102 0.000 2.925 363 N HA -0.140 4.600 4.740 0.000 0.000 0.244 363 N C 0.462 175.931 175.510 -0.069 0.000 1.000 363 N CA 1.145 54.127 53.050 -0.112 0.000 0.895 363 N CB -1.537 36.883 38.487 -0.112 0.000 1.119 363 N HN 0.532 nan 8.380 nan 0.000 0.569 364 E N -0.078 120.096 120.200 -0.044 0.000 2.482 364 E HA 0.179 4.530 4.350 0.000 0.000 0.196 364 E C 0.940 177.507 176.600 -0.056 0.000 1.047 364 E CA 0.498 56.860 56.400 -0.063 0.000 0.869 364 E CB 0.619 30.299 29.700 -0.034 0.000 0.836 364 E HN 0.467 nan 8.360 nan 0.000 0.520 365 I N 0.322 120.910 120.570 0.030 0.000 2.533 365 I HA 0.228 4.398 4.170 0.000 0.000 0.290 365 I C 1.147 177.367 176.117 0.172 0.000 1.056 365 I CA -0.437 60.936 61.300 0.122 0.000 1.057 365 I CB 2.303 40.422 38.000 0.198 0.000 1.240 365 I HN -0.039 nan 8.210 nan 0.000 0.423 366 Q N 4.003 123.916 119.800 0.188 0.000 2.163 366 Q HA 0.092 4.432 4.340 0.000 0.000 0.198 366 Q C -0.356 175.808 176.000 0.273 0.000 0.954 366 Q CA 1.096 57.016 55.803 0.195 0.000 0.851 366 Q CB 0.716 29.578 28.738 0.206 0.000 0.928 366 Q HN 0.573 nan 8.270 nan 0.000 0.459 367 V N 0.456 120.516 119.914 0.242 0.000 2.760 367 V HA 0.418 4.538 4.120 0.000 0.000 0.309 367 V C -0.679 175.355 176.094 -0.100 0.000 1.077 367 V CA -0.999 61.371 62.300 0.117 0.000 0.910 367 V CB 1.849 33.737 31.823 0.108 0.000 1.008 367 V HN -0.184 nan 8.190 nan 0.000 0.424 368 V N 4.189 123.854 119.914 -0.414 0.000 2.398 368 V HA 0.474 4.594 4.120 0.000 0.000 0.286 368 V C -0.159 175.592 176.094 -0.571 0.000 1.026 368 V CA -0.539 61.356 62.300 -0.675 0.000 0.868 368 V CB 1.959 32.941 31.823 -1.402 0.000 0.982 368 V HN 0.690 nan 8.190 nan 0.000 0.443 369 V N 4.810 124.482 119.914 -0.403 0.000 2.328 369 V HA 0.834 4.954 4.120 0.000 0.000 0.278 369 V C 0.335 176.266 176.094 -0.273 0.000 1.021 369 V CA -0.160 61.957 62.300 -0.305 0.000 0.838 369 V CB 1.002 32.710 31.823 -0.191 0.000 0.999 369 V HN 1.009 nan 8.190 nan 0.000 0.447 370 A N 3.657 126.308 122.820 -0.281 0.000 2.515 370 A HA 0.930 5.251 4.320 0.000 0.000 0.296 370 A C 0.049 177.698 177.584 0.109 0.000 1.094 370 A CA -0.260 51.707 52.037 -0.117 0.000 0.718 370 A CB 1.984 20.814 19.000 -0.284 0.000 1.307 370 A HN 0.788 nan 8.150 nan 0.000 0.408 371 T N -1.683 112.986 114.554 0.192 0.000 2.849 371 T HA 0.419 4.770 4.350 0.000 0.000 0.276 371 T C 1.301 176.170 174.700 0.283 0.000 0.971 371 T CA 0.217 62.443 62.100 0.209 0.000 0.949 371 T CB 0.423 69.358 68.868 0.112 0.000 1.093 371 T HN 1.752 nan 8.240 nan 0.000 0.545 372 V N -1.188 118.822 119.914 0.161 0.000 2.982 372 V HA 0.040 4.161 4.120 0.000 0.000 0.265 372 V C 2.730 178.911 176.094 0.144 0.000 1.122 372 V CA 1.462 63.820 62.300 0.097 0.000 1.143 372 V CB -2.182 29.645 31.823 0.008 0.000 0.726 372 V HN 1.012 nan 8.190 nan 0.000 0.507 373 A N 0.078 123.018 122.820 0.199 0.000 1.978 373 A HA -0.100 4.220 4.320 0.000 0.000 0.220 373 A C 1.382 179.141 177.584 0.290 0.000 1.170 373 A CA 1.468 53.650 52.037 0.241 0.000 0.636 373 A CB -0.722 18.450 19.000 0.288 0.000 0.810 373 A HN 0.729 nan 8.150 nan 0.000 0.448 374 F N 0.357 120.362 119.950 0.091 0.000 2.451 374 F HA 0.510 5.037 4.527 0.000 0.000 0.356 374 F C 1.048 176.782 175.800 -0.111 0.000 1.178 374 F CA 0.080 57.944 58.000 -0.226 0.000 1.210 374 F CB 0.189 38.882 39.000 -0.511 0.000 1.504 374 F HN 0.048 nan 8.300 nan 0.000 0.598 375 G N 4.598 113.208 108.800 -0.316 0.000 3.408 375 G HA2 0.004 3.964 3.960 0.000 0.000 0.214 375 G HA3 0.004 3.964 3.960 0.000 0.000 0.214 375 G C 0.074 174.844 174.900 -0.217 0.000 1.557 375 G CA -0.400 44.566 45.100 -0.223 0.000 0.801 375 G HN 0.394 nan 8.290 nan 0.000 0.883 376 M N 2.408 121.925 119.600 -0.139 0.000 2.303 376 M HA 0.414 4.894 4.480 0.000 0.000 0.350 376 M C 1.192 177.434 176.300 -0.097 0.000 1.518 376 M CA 1.702 56.954 55.300 -0.081 0.000 1.070 376 M CB 0.156 32.740 32.600 -0.028 0.000 1.910 376 M HN 0.968 nan 8.290 nan 0.000 0.458 377 G N 4.892 113.655 108.800 -0.062 0.000 2.212 377 G HA2 -0.167 3.794 3.960 0.000 0.000 0.255 377 G HA3 -0.167 3.794 3.960 0.000 0.000 0.255 377 G C -0.529 174.346 174.900 -0.042 0.000 1.062 377 G CA -0.496 44.585 45.100 -0.031 0.000 0.815 377 G HN 0.611 nan 8.290 nan 0.000 0.497 378 I N 1.462 121.977 120.570 -0.091 0.000 2.336 378 I HA 0.412 4.582 4.170 0.000 0.000 0.292 378 I C 0.413 176.531 176.117 0.002 0.000 0.991 378 I CA -0.979 60.272 61.300 -0.082 0.000 1.227 378 I CB 1.599 39.458 38.000 -0.235 0.000 1.366 378 I HN 0.341 nan 8.210 nan 0.000 0.466 379 D N 4.044 124.475 120.400 0.052 0.000 2.562 379 D HA -0.005 4.635 4.640 0.000 0.000 0.246 379 D C 0.416 176.739 176.300 0.038 0.000 1.347 379 D CA -0.376 53.649 54.000 0.041 0.000 0.800 379 D CB 0.120 40.941 40.800 0.036 0.000 1.111 379 D HN 0.370 nan 8.370 nan 0.000 0.508 380 K N 1.997 122.431 120.400 0.057 0.000 2.472 380 K HA 0.085 4.405 4.320 0.000 0.000 0.280 380 K C -1.492 175.086 176.600 -0.037 0.000 1.028 380 K CA -0.773 55.502 56.287 -0.020 0.000 1.045 380 K CB 1.252 33.681 32.500 -0.120 0.000 0.902 380 K HN -0.186 nan 8.250 nan 0.000 0.478 381 P HA -0.071 nan 4.420 nan 0.000 0.221 381 P C -0.331 176.940 177.300 -0.047 0.000 1.155 381 P CA 0.867 63.946 63.100 -0.036 0.000 0.812 381 P CB 0.137 31.818 31.700 -0.032 0.000 0.801 382 D N -0.546 119.804 120.400 -0.084 0.000 2.895 382 D HA 0.062 4.702 4.640 0.000 0.000 0.258 382 D C -0.319 175.921 176.300 -0.101 0.000 1.311 382 D CA -0.678 53.274 54.000 -0.079 0.000 0.843 382 D CB -0.715 40.036 40.800 -0.082 0.000 1.055 382 D HN -0.103 nan 8.370 nan 0.000 0.486 383 V N 1.754 121.616 119.914 -0.087 0.000 2.397 383 V HA 0.089 4.209 4.120 0.000 0.000 0.262 383 V C 1.571 177.622 176.094 -0.071 0.000 1.047 383 V CA -0.270 61.977 62.300 -0.089 0.000 1.003 383 V CB 0.680 32.490 31.823 -0.021 0.000 1.037 383 V HN 0.197 nan 8.190 nan 0.000 0.480 384 R N 3.847 124.309 120.500 -0.063 0.000 2.210 384 R HA 0.168 4.508 4.340 0.000 0.000 0.203 384 R C 0.204 176.516 176.300 0.019 0.000 1.010 384 R CA 0.638 56.751 56.100 0.022 0.000 1.008 384 R CB 0.162 30.534 30.300 0.120 0.000 0.923 384 R HN 0.722 nan 8.270 nan 0.000 0.469 385 F N -2.554 117.257 119.950 -0.230 0.000 2.619 385 F HA 0.624 5.151 4.527 0.000 0.000 0.308 385 F C -1.063 174.674 175.800 -0.105 0.000 1.097 385 F CA -1.475 56.349 58.000 -0.293 0.000 0.953 385 F CB 1.452 39.969 39.000 -0.805 0.000 1.287 385 F HN -0.409 nan 8.300 nan 0.000 0.446 386 V N 4.502 124.465 119.914 0.082 0.000 2.482 386 V HA 0.494 4.614 4.120 0.000 0.000 0.295 386 V C -0.458 175.815 176.094 0.300 0.000 1.026 386 V CA -0.572 61.784 62.300 0.094 0.000 0.856 386 V CB 1.644 33.534 31.823 0.111 0.000 1.001 386 V HN 0.778 nan 8.190 nan 0.000 0.424 387 I N 3.759 124.513 120.570 0.307 0.000 2.474 387 I HA 0.478 4.649 4.170 0.000 0.000 0.294 387 I C -0.733 175.629 176.117 0.408 0.000 1.005 387 I CA -0.632 60.931 61.300 0.439 0.000 1.113 387 I CB 1.945 40.235 38.000 0.483 0.000 1.289 387 I HN 0.608 nan 8.210 nan 0.000 0.436 388 H N 4.242 123.611 119.070 0.498 0.000 2.581 388 H HA 0.207 4.763 4.556 0.000 0.000 0.308 388 H C 0.689 176.363 175.328 0.576 0.000 1.040 388 H CA -0.106 56.249 56.048 0.513 0.000 1.231 388 H CB 0.858 30.918 29.762 0.496 0.000 1.396 388 H HN 0.485 nan 8.280 nan 0.000 0.467 389 H N 2.063 121.411 119.070 0.463 0.000 2.428 389 H HA 0.117 4.674 4.556 0.000 0.000 0.296 389 H C -0.172 175.431 175.328 0.458 0.000 1.062 389 H CA 0.706 57.023 56.048 0.447 0.000 1.350 389 H CB 0.797 30.700 29.762 0.235 0.000 1.403 389 H HN 0.419 nan 8.280 nan 0.000 0.533 390 S N -0.102 115.882 115.700 0.472 0.000 2.632 390 S HA 0.360 4.830 4.470 0.000 0.000 0.289 390 S C -0.209 174.624 174.600 0.388 0.000 1.115 390 S CA -0.883 57.523 58.200 0.343 0.000 0.889 390 S CB 2.366 65.756 63.200 0.316 0.000 1.116 390 S HN 0.381 nan 8.310 nan 0.000 0.486 391 M N 0.768 120.529 119.600 0.268 0.000 2.226 391 M HA 0.490 4.970 4.480 0.000 0.000 0.324 391 M C 0.061 176.499 176.300 0.230 0.000 1.112 391 M CA 0.016 55.438 55.300 0.204 0.000 1.176 391 M CB 0.044 32.708 32.600 0.107 0.000 1.430 391 M HN 0.328 nan 8.290 nan 0.000 0.462 392 S N 0.699 116.505 115.700 0.177 0.000 2.624 392 S HA 0.136 4.606 4.470 0.000 0.000 0.263 392 S C 0.912 175.577 174.600 0.108 0.000 1.287 392 S CA -0.616 57.689 58.200 0.175 0.000 0.990 392 S CB 0.984 64.283 63.200 0.165 0.000 0.950 392 S HN 0.827 nan 8.310 nan 0.000 0.561 393 K N -0.393 120.071 120.400 0.106 0.000 2.418 393 K HA 0.089 4.409 4.320 0.000 0.000 0.195 393 K C 0.275 176.898 176.600 0.038 0.000 1.035 393 K CA 0.371 56.706 56.287 0.079 0.000 1.003 393 K CB 0.003 32.558 32.500 0.091 0.000 0.793 393 K HN 0.468 nan 8.250 nan 0.000 0.494 394 S N -1.201 114.514 115.700 0.024 0.000 2.587 394 S HA 0.284 4.754 4.470 0.000 0.000 0.269 394 S C 0.498 175.083 174.600 -0.026 0.000 1.154 394 S CA -1.037 57.163 58.200 0.001 0.000 0.824 394 S CB 1.143 64.350 63.200 0.011 0.000 1.118 394 S HN -0.074 nan 8.310 nan 0.000 0.462 395 M N 0.973 120.527 119.600 -0.078 0.000 2.159 395 M HA -0.035 4.445 4.480 0.000 0.000 0.263 395 M C 1.494 177.807 176.300 0.022 0.000 1.063 395 M CA 1.733 56.944 55.300 -0.149 0.000 1.110 395 M CB -1.624 30.726 32.600 -0.417 0.000 1.374 395 M HN 0.833 nan 8.290 nan 0.000 0.411 396 E N 0.273 120.502 120.200 0.048 0.000 2.106 396 E HA -0.123 4.227 4.350 0.000 0.000 0.192 396 E C 1.738 178.413 176.600 0.125 0.000 0.984 396 E CA 0.943 57.405 56.400 0.102 0.000 0.806 396 E CB -0.383 29.317 29.700 0.001 0.000 0.750 396 E HN 0.406 nan 8.360 nan 0.000 0.458 397 N N -0.418 118.325 118.700 0.072 0.000 2.142 397 N HA -0.145 4.595 4.740 0.000 0.000 0.186 397 N C 1.494 177.034 175.510 0.050 0.000 1.023 397 N CA 0.828 53.908 53.050 0.050 0.000 0.852 397 N CB -0.367 38.144 38.487 0.040 0.000 0.998 397 N HN 0.247 nan 8.380 nan 0.000 0.424 398 Y N -0.062 120.208 120.300 -0.050 0.000 2.145 398 Y HA -0.295 4.255 4.550 0.000 0.000 0.286 398 Y C 2.364 178.246 175.900 -0.030 0.000 1.145 398 Y CA 1.584 59.621 58.100 -0.104 0.000 1.148 398 Y CB -0.506 37.806 38.460 -0.245 0.000 0.981 398 Y HN 0.169 nan 8.280 nan 0.000 0.507 399 Y N 1.093 121.331 120.300 -0.104 0.000 2.207 399 Y HA -0.353 4.197 4.550 0.000 0.000 0.287 399 Y C 2.686 178.530 175.900 -0.093 0.000 1.156 399 Y CA 2.283 60.309 58.100 -0.122 0.000 1.182 399 Y CB -0.405 38.043 38.460 -0.020 0.000 0.979 399 Y HN 0.390 nan 8.280 nan 0.000 0.521 400 Q N -0.207 119.522 119.800 -0.118 0.000 2.212 400 Q HA -0.133 4.208 4.340 0.000 0.000 0.199 400 Q C 1.763 177.650 176.000 -0.189 0.000 0.950 400 Q CA 1.283 56.987 55.803 -0.165 0.000 0.863 400 Q CB -0.049 28.690 28.738 0.003 0.000 0.944 400 Q HN 0.608 nan 8.270 nan 0.000 0.465 401 E N 0.661 120.744 120.200 -0.194 0.000 2.047 401 E HA -0.149 4.201 4.350 0.000 0.000 0.191 401 E C 2.142 178.707 176.600 -0.058 0.000 0.987 401 E CA 1.636 57.926 56.400 -0.183 0.000 0.799 401 E CB 0.053 29.569 29.700 -0.306 0.000 0.752 401 E HN 0.489 nan 8.360 nan 0.000 0.449 402 S N 0.077 115.647 115.700 -0.217 0.000 2.402 402 S HA -0.063 4.407 4.470 0.000 0.000 0.229 402 S C 2.120 176.643 174.600 -0.128 0.000 1.021 402 S CA 0.871 58.976 58.200 -0.159 0.000 0.974 402 S CB -0.462 62.499 63.200 -0.398 0.000 0.800 402 S HN 0.282 nan 8.310 nan 0.000 0.484 403 G N 1.043 109.693 108.800 -0.249 0.000 2.653 403 G HA2 -0.068 3.892 3.960 0.000 0.000 0.212 403 G HA3 -0.068 3.892 3.960 0.000 0.000 0.212 403 G C 1.479 176.311 174.900 -0.113 0.000 1.138 403 G CA 0.024 44.975 45.100 -0.247 0.000 0.782 403 G HN 0.558 nan 8.290 nan 0.000 0.535 404 R N -0.196 120.274 120.500 -0.050 0.000 2.276 404 R HA 0.325 4.665 4.340 0.000 0.000 0.196 404 R C 1.407 177.712 176.300 0.009 0.000 0.961 404 R CA 0.241 56.341 56.100 -0.000 0.000 1.024 404 R CB 0.207 30.535 30.300 0.047 0.000 0.940 404 R HN 0.293 nan 8.270 nan 0.000 0.480 405 A N 0.305 123.120 122.820 -0.008 0.000 2.351 405 A HA 0.484 4.804 4.320 0.000 0.000 0.257 405 A C 0.851 178.427 177.584 -0.013 0.000 1.087 405 A CA 0.207 52.236 52.037 -0.013 0.000 0.798 405 A CB 0.082 19.073 19.000 -0.014 0.000 1.033 405 A HN 0.375 nan 8.150 nan 0.000 0.488 406 G N 1.118 109.912 108.800 -0.009 0.000 2.338 406 G HA2 -0.236 3.724 3.960 0.000 0.000 0.296 406 G HA3 -0.236 3.724 3.960 0.000 0.000 0.296 406 G C 0.703 175.604 174.900 0.002 0.000 1.040 406 G CA 0.479 45.578 45.100 -0.001 0.000 1.004 406 G HN 0.742 nan 8.290 nan 0.000 0.509 407 R N 0.065 120.565 120.500 -0.001 0.000 2.280 407 R HA -0.014 4.326 4.340 0.000 0.000 0.207 407 R C 1.787 178.090 176.300 0.005 0.000 1.043 407 R CA 1.320 57.423 56.100 0.004 0.000 1.006 407 R CB -0.054 30.249 30.300 0.005 0.000 0.885 407 R HN 0.710 nan 8.270 nan 0.000 0.467 408 D N -0.448 119.953 120.400 0.001 0.000 2.328 408 D HA -0.050 4.590 4.640 0.000 0.000 0.226 408 D C 0.025 176.331 176.300 0.010 0.000 1.066 408 D CA -0.026 53.976 54.000 0.003 0.000 0.861 408 D CB 0.076 40.874 40.800 -0.003 0.000 0.912 408 D HN -0.073 nan 8.370 nan 0.000 0.521 409 D N -1.376 119.033 120.400 0.015 0.000 2.792 409 D HA -0.143 4.497 4.640 0.000 0.000 0.192 409 D C -0.090 176.224 176.300 0.023 0.000 1.007 409 D CA 0.789 54.801 54.000 0.021 0.000 1.020 409 D CB -0.832 39.981 40.800 0.022 0.000 1.089 409 D HN 0.326 nan 8.370 nan 0.000 0.438 410 M N 0.560 120.173 119.600 0.021 0.000 2.247 410 M HA 0.192 4.672 4.480 0.000 0.000 0.326 410 M C 0.958 177.276 176.300 0.031 0.000 1.134 410 M CA -0.182 55.133 55.300 0.025 0.000 1.136 410 M CB 0.654 33.267 32.600 0.022 0.000 1.454 410 M HN -0.173 nan 8.290 nan 0.000 0.467 411 K N 1.206 121.629 120.400 0.038 0.000 2.524 411 K HA 0.285 4.605 4.320 0.000 0.000 0.279 411 K C -0.768 175.866 176.600 0.056 0.000 0.993 411 K CA 0.287 56.603 56.287 0.048 0.000 1.030 411 K CB 0.310 32.839 32.500 0.049 0.000 0.891 411 K HN 0.831 nan 8.250 nan 0.000 0.488 412 A N 3.786 126.641 122.820 0.059 0.000 2.609 412 A HA 0.428 4.748 4.320 0.000 0.000 0.291 412 A C -1.774 175.864 177.584 0.089 0.000 1.096 412 A CA -0.945 51.133 52.037 0.068 0.000 0.684 412 A CB 1.324 20.345 19.000 0.035 0.000 1.282 412 A HN 0.659 nan 8.150 nan 0.000 0.412 413 D N -0.043 120.432 120.400 0.125 0.000 2.350 413 D HA 0.582 5.222 4.640 0.000 0.000 0.245 413 D C -1.131 175.276 176.300 0.178 0.000 1.036 413 D CA 0.047 54.167 54.000 0.201 0.000 0.848 413 D CB 1.681 42.667 40.800 0.310 0.000 1.307 413 D HN 0.495 nan 8.370 nan 0.000 0.469 414 C N 2.616 122.028 119.300 0.187 0.000 2.356 414 C HA 0.548 5.008 4.460 0.000 0.000 0.324 414 C C 0.019 175.206 174.990 0.328 0.000 1.167 414 C CA -0.720 58.438 59.018 0.235 0.000 1.420 414 C CB -0.752 27.086 27.740 0.163 0.000 2.036 414 C HN 0.414 nan 8.230 nan 0.000 0.435 415 I N 3.798 124.582 120.570 0.358 0.000 2.436 415 I HA 0.473 4.643 4.170 0.000 0.000 0.289 415 I C -0.471 175.826 176.117 0.301 0.000 1.010 415 I CA -0.395 61.074 61.300 0.282 0.000 1.098 415 I CB 1.445 39.584 38.000 0.231 0.000 1.266 415 I HN 0.496 nan 8.210 nan 0.000 0.434 416 L N 6.974 128.304 121.223 0.180 0.000 2.325 416 L HA 0.512 4.852 4.340 0.000 0.000 0.281 416 L C -1.371 175.533 176.870 0.056 0.000 1.004 416 L CA -0.554 54.409 54.840 0.205 0.000 0.823 416 L CB 1.109 43.222 42.059 0.091 0.000 1.236 416 L HN 0.457 nan 8.230 nan 0.000 0.415 417 Y N 4.480 124.927 120.300 0.244 0.000 2.383 417 Y HA 0.208 4.758 4.550 0.000 0.000 0.344 417 Y C -0.452 175.525 175.900 0.129 0.000 0.986 417 Y CA 0.013 58.192 58.100 0.132 0.000 1.175 417 Y CB 0.821 39.315 38.460 0.058 0.000 1.152 417 Y HN 0.445 nan 8.280 nan 0.000 0.511 418 Y N 3.079 123.425 120.300 0.077 0.000 2.328 418 Y HA 0.715 5.266 4.550 0.000 0.000 0.337 418 Y C -0.171 175.740 175.900 0.018 0.000 1.008 418 Y CA -1.611 56.507 58.100 0.031 0.000 1.129 418 Y CB 1.255 39.712 38.460 -0.005 0.000 1.185 418 Y HN 0.633 nan 8.280 nan 0.000 0.476 419 G N 5.377 114.018 108.800 -0.266 0.000 2.662 419 G HA2 0.253 4.213 3.960 0.000 0.000 0.302 419 G HA3 0.253 4.213 3.960 0.000 0.000 0.302 419 G C -0.395 174.343 174.900 -0.271 0.000 1.389 419 G CA -0.666 44.237 45.100 -0.327 0.000 0.998 419 G HN 0.735 nan 8.290 nan 0.000 0.502 420 F N 2.850 122.574 119.950 -0.377 0.000 2.043 420 F HA -0.131 4.397 4.527 0.001 0.000 0.297 420 F C 2.430 178.232 175.800 0.003 0.000 1.118 420 F CA 2.951 60.850 58.000 -0.168 0.000 1.202 420 F CB -0.332 38.620 39.000 -0.079 0.000 0.965 420 F HN 0.487 nan 8.300 nan 0.000 0.482 421 G N -0.782 108.040 108.800 0.037 0.000 2.501 421 G HA2 -0.243 3.717 3.960 0.000 0.000 0.220 421 G HA3 -0.243 3.717 3.960 0.000 0.000 0.220 421 G C 1.309 176.170 174.900 -0.064 0.000 1.114 421 G CA 0.981 46.086 45.100 0.009 0.000 0.757 421 G HN 0.378 nan 8.290 nan 0.000 0.559 422 D N 0.441 120.769 120.400 -0.121 0.000 2.269 422 D HA -0.019 4.621 4.640 0.000 0.000 0.208 422 D C 2.473 178.638 176.300 -0.225 0.000 0.963 422 D CA 0.171 54.061 54.000 -0.184 0.000 0.864 422 D CB 0.038 40.767 40.800 -0.118 0.000 0.936 422 D HN 0.382 nan 8.370 nan 0.000 0.505 423 I N 0.027 120.409 120.570 -0.312 0.000 2.208 423 I HA -0.275 3.895 4.170 0.000 0.000 0.245 423 I C 1.818 177.624 176.117 -0.517 0.000 1.097 423 I CA 1.119 62.128 61.300 -0.485 0.000 1.363 423 I CB -0.226 37.250 38.000 -0.874 0.000 1.051 423 I HN -0.077 nan 8.210 nan 0.000 0.413 424 F N 0.127 119.973 119.950 -0.173 0.000 2.512 424 F HA 0.046 4.573 4.527 0.000 0.000 0.296 424 F C 2.553 178.296 175.800 -0.094 0.000 1.110 424 F CA 0.406 58.333 58.000 -0.121 0.000 1.446 424 F CB -0.343 38.552 39.000 -0.174 0.000 1.092 424 F HN -0.168 nan 8.300 nan 0.000 0.554 425 R N 0.559 121.029 120.500 -0.051 0.000 2.066 425 R HA -0.088 4.252 4.340 0.000 0.000 0.232 425 R C 2.178 178.440 176.300 -0.063 0.000 1.131 425 R CA 1.575 57.591 56.100 -0.140 0.000 0.955 425 R CB -0.615 29.389 30.300 -0.493 0.000 0.851 425 R HN 0.315 nan 8.270 nan 0.000 0.432 426 I N 0.144 120.646 120.570 -0.113 0.000 2.252 426 I HA -0.251 3.919 4.170 0.000 0.000 0.245 426 I C 2.524 178.688 176.117 0.078 0.000 1.102 426 I CA 0.871 62.211 61.300 0.067 0.000 1.385 426 I CB -0.375 37.652 38.000 0.044 0.000 1.064 426 I HN 0.119 nan 8.210 nan 0.000 0.414 427 S N 0.573 116.306 115.700 0.054 0.000 2.369 427 S HA -0.246 4.224 4.470 0.000 0.000 0.225 427 S C 2.261 176.914 174.600 0.088 0.000 1.043 427 S CA 2.328 60.598 58.200 0.116 0.000 1.074 427 S CB -0.200 63.129 63.200 0.215 0.000 0.962 427 S HN 0.426 nan 8.310 nan 0.000 0.433 428 S N 0.901 116.661 115.700 0.100 0.000 2.382 428 S HA -0.063 4.407 4.470 0.000 0.000 0.228 428 S C 1.830 176.408 174.600 -0.037 0.000 1.027 428 S CA 1.389 59.580 58.200 -0.016 0.000 0.991 428 S CB -0.358 62.853 63.200 0.018 0.000 0.823 428 S HN 0.566 nan 8.310 nan 0.000 0.469 429 M N 1.726 121.362 119.600 0.060 0.000 2.159 429 M HA -0.083 4.397 4.480 0.000 0.000 0.263 429 M C 1.579 177.890 176.300 0.019 0.000 1.063 429 M CA 1.468 56.812 55.300 0.074 0.000 1.110 429 M CB -0.120 32.589 32.600 0.183 0.000 1.374 429 M HN 0.306 nan 8.290 nan 0.000 0.411 430 V N -2.663 117.250 119.914 -0.001 0.000 3.421 430 V HA 0.100 4.220 4.120 0.000 0.000 0.316 430 V C 1.585 177.631 176.094 -0.081 0.000 1.347 430 V CA 0.050 62.335 62.300 -0.025 0.000 1.183 430 V CB -0.641 31.179 31.823 -0.005 0.000 1.092 430 V HN 0.280 nan 8.190 nan 0.000 0.433 431 V N 1.216 121.039 119.914 -0.153 0.000 2.688 431 V HA -0.167 3.953 4.120 0.000 0.000 0.256 431 V C 2.115 178.144 176.094 -0.108 0.000 1.084 431 V CA 2.418 64.568 62.300 -0.250 0.000 1.103 431 V CB -0.127 31.435 31.823 -0.435 0.000 0.688 431 V HN 0.624 nan 8.190 nan 0.000 0.480 432 M N -0.943 118.628 119.600 -0.049 0.000 2.441 432 M HA 0.245 4.725 4.480 0.000 0.000 0.244 432 M C 0.631 176.914 176.300 -0.028 0.000 1.122 432 M CA 0.228 55.514 55.300 -0.023 0.000 1.041 432 M CB -0.304 32.294 32.600 -0.004 0.000 1.438 432 M HN 0.349 nan 8.290 nan 0.000 0.484 433 E N 0.896 121.076 120.200 -0.034 0.000 2.313 433 E HA 0.043 4.393 4.350 0.000 0.000 0.276 433 E C 0.465 177.042 176.600 -0.039 0.000 1.031 433 E CA -0.197 56.184 56.400 -0.031 0.000 0.857 433 E CB 0.845 30.529 29.700 -0.027 0.000 1.040 433 E HN 0.075 nan 8.360 nan 0.000 0.408 434 N N 1.246 119.923 118.700 -0.038 0.000 2.331 434 N HA -0.111 4.629 4.740 0.000 0.000 0.180 434 N C 0.865 176.346 175.510 -0.047 0.000 1.019 434 N CA 0.684 53.709 53.050 -0.041 0.000 0.881 434 N CB 0.419 38.880 38.487 -0.044 0.000 0.972 434 N HN 0.335 nan 8.380 nan 0.000 0.435 435 V N -3.530 116.353 119.914 -0.051 0.000 3.006 435 V HA 0.549 4.669 4.120 0.000 0.000 0.357 435 V C 1.567 177.621 176.094 -0.066 0.000 1.377 435 V CA 0.067 62.331 62.300 -0.061 0.000 1.198 435 V CB 0.235 32.023 31.823 -0.058 0.000 1.216 435 V HN 0.049 nan 8.190 nan 0.000 0.520 436 G N 0.749 109.512 108.800 -0.062 0.000 2.421 436 G HA2 -0.289 3.672 3.960 0.000 0.000 0.216 436 G HA3 -0.289 3.672 3.960 0.000 0.000 0.216 436 G C 1.282 176.122 174.900 -0.100 0.000 1.171 436 G CA 1.279 46.342 45.100 -0.062 0.000 0.775 436 G HN 0.575 nan 8.290 nan 0.000 0.543 437 Q N -0.353 119.358 119.800 -0.149 0.000 2.167 437 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 437 Q C 2.496 178.236 176.000 -0.434 0.000 0.970 437 Q CA 1.410 57.025 55.803 -0.313 0.000 0.855 437 Q CB -0.199 28.353 28.738 -0.310 0.000 0.911 437 Q HN 0.685 nan 8.270 nan 0.000 0.438 438 Q N 0.229 119.879 119.800 -0.249 0.000 2.084 438 Q HA -0.179 4.162 4.340 0.000 0.000 0.202 438 Q C 1.764 177.717 176.000 -0.078 0.000 0.978 438 Q CA 1.289 56.992 55.803 -0.168 0.000 0.844 438 Q CB 0.129 28.810 28.738 -0.095 0.000 0.898 438 Q HN 0.276 nan 8.270 nan 0.000 0.426 439 K N 0.260 120.625 120.400 -0.058 0.000 2.148 439 K HA -0.137 4.183 4.320 0.000 0.000 0.204 439 K C 2.182 178.792 176.600 0.016 0.000 1.050 439 K CA 0.718 57.003 56.287 -0.003 0.000 0.942 439 K CB -0.164 32.330 32.500 -0.009 0.000 0.724 439 K HN 0.190 nan 8.250 nan 0.000 0.446 440 L N 0.609 121.827 121.223 -0.007 0.000 2.046 440 L HA -0.191 4.149 4.340 0.000 0.000 0.208 440 L C 1.976 178.956 176.870 0.183 0.000 1.077 440 L CA 1.669 56.541 54.840 0.053 0.000 0.747 440 L CB -0.549 41.532 42.059 0.036 0.000 0.896 440 L HN 0.203 nan 8.230 nan 0.000 0.432 441 Y N -0.632 119.654 120.300 -0.023 0.000 2.421 441 Y HA -0.181 4.369 4.550 0.001 0.000 0.292 441 Y C 2.408 178.296 175.900 -0.019 0.000 1.136 441 Y CA 0.491 58.575 58.100 -0.027 0.000 1.255 441 Y CB -0.008 38.441 38.460 -0.017 0.000 0.991 441 Y HN 0.385 nan 8.280 nan 0.000 0.552 442 E N 0.048 120.340 120.200 0.153 0.000 2.047 442 E HA -0.252 4.098 4.350 0.000 0.000 0.191 442 E C 2.039 178.648 176.600 0.015 0.000 0.987 442 E CA 1.305 57.772 56.400 0.113 0.000 0.799 442 E CB -0.131 29.689 29.700 0.199 0.000 0.752 442 E HN 0.279 nan 8.360 nan 0.000 0.449 443 M N 0.450 120.033 119.600 -0.028 0.000 2.159 443 M HA -0.127 4.353 4.480 0.000 0.000 0.263 443 M C 1.979 178.228 176.300 -0.086 0.000 1.063 443 M CA 1.221 56.457 55.300 -0.107 0.000 1.110 443 M CB -0.033 32.510 32.600 -0.095 0.000 1.374 443 M HN -0.046 nan 8.290 nan 0.000 0.411 444 V N -0.968 118.916 119.914 -0.050 0.000 2.358 444 V HA -0.233 3.887 4.120 0.000 0.000 0.246 444 V C 2.389 178.398 176.094 -0.143 0.000 1.047 444 V CA 1.929 64.161 62.300 -0.113 0.000 1.035 444 V CB -0.845 30.932 31.823 -0.077 0.000 0.658 444 V HN 0.524 nan 8.190 nan 0.000 0.452 445 S N -1.208 114.452 115.700 -0.067 0.000 2.374 445 S HA -0.283 4.187 4.470 0.000 0.000 0.227 445 S C 1.864 176.418 174.600 -0.077 0.000 1.037 445 S CA 2.216 60.381 58.200 -0.057 0.000 1.024 445 S CB -0.452 62.745 63.200 -0.004 0.000 0.861 445 S HN 0.758 nan 8.310 nan 0.000 0.456 446 Y N 0.728 120.900 120.300 -0.215 0.000 2.274 446 Y HA -0.176 4.374 4.550 0.000 0.000 0.290 446 Y C 2.322 178.039 175.900 -0.306 0.000 1.145 446 Y CA 1.163 59.111 58.100 -0.253 0.000 1.203 446 Y CB -0.439 37.843 38.460 -0.297 0.000 0.984 446 Y HN 0.294 nan 8.280 nan 0.000 0.533 447 C N 0.511 119.619 119.300 -0.321 0.000 2.464 447 C HA -0.073 4.387 4.460 0.000 0.000 0.278 447 C C 2.381 177.073 174.990 -0.497 0.000 1.375 447 C CA 0.581 59.264 59.018 -0.559 0.000 1.761 447 C CB -0.745 26.389 27.740 -1.010 0.000 1.944 447 C HN 0.585 nan 8.230 nan 0.000 0.509 448 Q N 0.601 120.191 119.800 -0.350 0.000 2.378 448 Q HA 0.048 4.388 4.340 0.000 0.000 0.205 448 Q C 0.531 176.435 176.000 -0.159 0.000 0.954 448 Q CA 0.445 56.140 55.803 -0.180 0.000 0.901 448 Q CB -0.285 28.404 28.738 -0.082 0.000 0.981 448 Q HN 0.614 nan 8.270 nan 0.000 0.483 449 N N 1.561 120.128 118.700 -0.223 0.000 2.444 449 N HA 0.073 4.813 4.740 0.000 0.000 0.271 449 N C 0.447 175.815 175.510 -0.237 0.000 1.069 449 N CA 0.056 52.973 53.050 -0.222 0.000 0.965 449 N CB 0.814 39.155 38.487 -0.242 0.000 1.092 449 N HN 0.193 nan 8.380 nan 0.000 0.476 450 I N 0.663 121.091 120.570 -0.236 0.000 3.936 450 I HA 0.230 4.400 4.170 0.000 0.000 0.330 450 I C 0.379 176.330 176.117 -0.277 0.000 1.509 450 I CA -0.170 61.007 61.300 -0.205 0.000 1.126 450 I CB 0.120 38.042 38.000 -0.131 0.000 1.115 450 I HN 0.332 nan 8.210 nan 0.000 0.424 451 S N -0.848 114.657 115.700 -0.324 0.000 2.612 451 S HA 0.310 4.780 4.470 0.000 0.000 0.278 451 S C 0.444 174.973 174.600 -0.119 0.000 1.082 451 S CA -0.485 57.541 58.200 -0.291 0.000 1.185 451 S CB 0.215 62.997 63.200 -0.697 0.000 1.077 451 S HN 0.154 nan 8.310 nan 0.000 0.585 452 K N 1.440 121.763 120.400 -0.128 0.000 2.144 452 K HA 0.390 4.710 4.320 0.000 0.000 0.270 452 K C 0.029 176.600 176.600 -0.048 0.000 1.005 452 K CA -0.578 55.672 56.287 -0.062 0.000 0.932 452 K CB 0.969 33.432 32.500 -0.062 0.000 1.021 452 K HN 0.320 nan 8.250 nan 0.000 0.462 453 C N 3.314 122.620 119.300 0.010 0.000 2.538 453 C HA 0.005 4.466 4.460 0.000 0.000 0.408 453 C C 1.961 176.936 174.990 -0.025 0.000 1.421 453 C CA -0.267 58.769 59.018 0.030 0.000 1.642 453 C CB -0.418 27.389 27.740 0.111 0.000 2.553 453 C HN 0.654 nan 8.230 nan 0.000 0.604 454 R N 3.586 124.061 120.500 -0.042 0.000 2.105 454 R HA -0.093 4.247 4.340 0.000 0.000 0.239 454 R C 2.237 178.464 176.300 -0.121 0.000 1.135 454 R CA 1.594 57.645 56.100 -0.083 0.000 0.967 454 R CB -0.459 29.793 30.300 -0.079 0.000 0.861 454 R HN 0.765 nan 8.270 nan 0.000 0.442 455 R N 0.103 120.545 120.500 -0.096 0.000 2.096 455 R HA -0.053 4.287 4.340 0.000 0.000 0.235 455 R C 2.336 178.373 176.300 -0.438 0.000 1.127 455 R CA 1.019 56.972 56.100 -0.245 0.000 0.968 455 R CB -0.329 29.891 30.300 -0.134 0.000 0.861 455 R HN -0.013 nan 8.270 nan 0.000 0.440 456 V N 1.248 121.033 119.914 -0.215 0.000 2.343 456 V HA -0.226 3.895 4.120 0.000 0.000 0.247 456 V C 2.145 178.171 176.094 -0.114 0.000 1.051 456 V CA 1.652 63.881 62.300 -0.119 0.000 1.036 456 V CB -0.291 31.582 31.823 0.083 0.000 0.654 456 V HN 0.297 nan 8.190 nan 0.000 0.451 457 L N -1.518 119.649 121.223 -0.093 0.000 2.141 457 L HA -0.201 4.139 4.340 0.000 0.000 0.209 457 L C 2.416 179.213 176.870 -0.122 0.000 1.094 457 L CA 1.541 56.352 54.840 -0.049 0.000 0.763 457 L CB -0.432 41.640 42.059 0.022 0.000 0.908 457 L HN 0.319 nan 8.230 nan 0.000 0.437 458 M N -0.677 118.748 119.600 -0.292 0.000 2.123 458 M HA -0.098 4.383 4.480 0.000 0.000 0.263 458 M C 2.378 178.348 176.300 -0.550 0.000 1.069 458 M CA 1.651 56.638 55.300 -0.523 0.000 1.133 458 M CB -0.209 31.895 32.600 -0.827 0.000 1.356 458 M HN 0.268 nan 8.290 nan 0.000 0.415 459 A N -0.440 122.053 122.820 -0.544 0.000 2.178 459 A HA -0.195 4.125 4.320 0.000 0.000 0.218 459 A C 1.857 179.422 177.584 -0.032 0.000 1.157 459 A CA 1.345 53.204 52.037 -0.297 0.000 0.689 459 A CB -0.628 18.298 19.000 -0.123 0.000 0.787 459 A HN 0.603 nan 8.150 nan 0.000 0.465 460 Q N -1.827 117.972 119.800 -0.002 0.000 2.245 460 Q HA -0.131 4.209 4.340 0.000 0.000 0.201 460 Q C 1.641 177.699 176.000 0.097 0.000 0.955 460 Q CA 1.229 57.073 55.803 0.068 0.000 0.870 460 Q CB -0.097 28.686 28.738 0.076 0.000 0.945 460 Q HN 0.852 nan 8.270 nan 0.000 0.461 461 H N -1.666 117.421 119.070 0.028 0.000 2.482 461 H HA -0.003 4.553 4.556 0.000 0.000 0.286 461 H C 0.529 175.895 175.328 0.063 0.000 1.017 461 H CA 0.956 57.042 56.048 0.064 0.000 1.322 461 H CB 0.408 30.241 29.762 0.118 0.000 1.426 461 H HN 0.137 nan 8.280 nan 0.000 0.546 462 F N 0.160 120.042 119.950 -0.114 0.000 2.678 462 F HA 0.144 4.671 4.527 0.001 0.000 0.305 462 F C 0.019 175.793 175.800 -0.043 0.000 1.090 462 F CA -0.282 57.645 58.000 -0.121 0.000 1.272 462 F CB 0.249 39.111 39.000 -0.231 0.000 1.060 462 F HN -0.087 nan 8.300 nan 0.000 0.576 463 D N 1.488 121.974 120.400 0.143 0.000 2.697 463 D HA -0.252 4.388 4.640 0.000 0.000 0.238 463 D C 0.220 176.617 176.300 0.163 0.000 1.152 463 D CA 0.696 54.765 54.000 0.114 0.000 0.666 463 D CB -1.229 39.610 40.800 0.065 0.000 1.037 463 D HN 0.466 nan 8.370 nan 0.000 0.423 464 E N -0.685 119.645 120.200 0.216 0.000 2.280 464 E HA 0.450 4.800 4.350 0.000 0.000 0.264 464 E C -0.231 176.532 176.600 0.270 0.000 1.064 464 E CA -0.897 55.667 56.400 0.272 0.000 0.900 464 E CB 1.171 31.116 29.700 0.407 0.000 1.123 464 E HN -0.027 nan 8.360 nan 0.000 0.418 465 V N 3.321 123.392 119.914 0.262 0.000 2.258 465 V HA 0.139 4.259 4.120 0.000 0.000 0.258 465 V C -0.428 175.836 176.094 0.283 0.000 1.121 465 V CA -0.657 61.776 62.300 0.222 0.000 0.942 465 V CB -0.290 31.614 31.823 0.135 0.000 1.170 465 V HN 0.546 nan 8.190 nan 0.000 0.487 466 W N 3.455 124.807 121.300 0.087 0.000 2.287 466 W HA 0.424 5.085 4.660 0.000 0.000 0.313 466 W C 0.235 176.787 176.519 0.056 0.000 1.267 466 W CA -0.192 57.202 57.345 0.081 0.000 1.201 466 W CB 0.913 30.441 29.460 0.113 0.000 1.196 466 W HN 0.638 nan 8.180 nan 0.000 0.536 467 N N 2.169 120.566 118.700 -0.506 0.000 2.434 467 N HA 0.366 5.106 4.740 0.000 0.000 0.272 467 N C 0.986 176.227 175.510 -0.447 0.000 1.040 467 N CA 0.457 53.281 53.050 -0.377 0.000 0.956 467 N CB 1.299 39.584 38.487 -0.336 0.000 1.108 467 N HN 0.662 nan 8.380 nan 0.000 0.481 468 S N 0.125 115.752 115.700 -0.123 0.000 2.387 468 S HA 0.050 4.521 4.470 0.000 0.000 0.230 468 S C 1.638 176.267 174.600 0.048 0.000 1.035 468 S CA 2.264 60.488 58.200 0.039 0.000 1.014 468 S CB -0.321 62.922 63.200 0.073 0.000 0.836 468 S HN 1.213 nan 8.310 nan 0.000 0.466 469 E N 0.026 120.207 120.200 -0.031 0.000 2.499 469 E HA 0.726 5.076 4.350 0.000 0.000 0.207 469 E C 1.055 177.648 176.600 -0.011 0.000 1.034 469 E CA 0.391 56.799 56.400 0.012 0.000 1.098 469 E CB -0.601 29.105 29.700 0.009 0.000 1.148 469 E HN 0.812 nan 8.360 nan 0.000 0.447 470 A N -0.859 121.922 122.820 -0.066 0.000 2.275 470 A HA 0.183 4.503 4.320 0.000 0.000 0.212 470 A C 2.120 179.773 177.584 0.115 0.000 1.201 470 A CA 0.723 52.712 52.037 -0.079 0.000 0.843 470 A CB -0.928 17.846 19.000 -0.376 0.000 0.873 470 A HN 0.670 nan 8.150 nan 0.000 0.492 471 C N -0.101 119.327 119.300 0.213 0.000 2.453 471 C HA -0.052 4.408 4.460 0.000 0.000 0.277 471 C C 1.007 176.100 174.990 0.172 0.000 1.262 471 C CA 1.295 60.464 59.018 0.252 0.000 1.718 471 C CB -0.996 26.898 27.740 0.257 0.000 2.031 471 C HN 0.716 nan 8.230 nan 0.000 0.480 472 N N 0.105 118.882 118.700 0.128 0.000 2.815 472 N HA -0.156 4.585 4.740 0.000 0.000 0.249 472 N C -0.148 175.431 175.510 0.116 0.000 1.114 472 N CA 1.318 54.429 53.050 0.103 0.000 0.717 472 N CB -1.764 36.777 38.487 0.090 0.000 1.074 472 N HN 0.828 nan 8.380 nan 0.000 0.555 473 K N -1.702 118.776 120.400 0.131 0.000 3.162 473 K HA -0.195 4.125 4.320 0.000 0.000 0.268 473 K C 0.227 176.950 176.600 0.204 0.000 1.062 473 K CA 0.907 57.284 56.287 0.149 0.000 0.769 473 K CB -0.886 31.686 32.500 0.120 0.000 1.274 473 K HN 0.253 nan 8.250 nan 0.000 0.478 474 M N -0.364 119.365 119.600 0.215 0.000 2.589 474 M HA 0.093 4.573 4.480 0.000 0.000 0.344 474 M C 0.494 176.881 176.300 0.146 0.000 1.168 474 M CA -0.050 55.416 55.300 0.276 0.000 0.956 474 M CB -0.119 32.614 32.600 0.221 0.000 1.370 474 M HN 0.454 nan 8.290 nan 0.000 0.518 475 C N -1.834 117.503 119.300 0.062 0.000 3.154 475 C HA 0.641 5.101 4.460 0.000 0.000 0.312 475 C C 1.561 176.478 174.990 -0.122 0.000 1.349 475 C CA -0.616 58.291 59.018 -0.185 0.000 1.518 475 C CB 1.591 29.325 27.740 -0.010 0.000 1.934 475 C HN 0.566 nan 8.230 nan 0.000 0.462 476 D N 1.515 121.794 120.400 -0.201 0.000 2.117 476 D HA -0.171 4.469 4.640 0.000 0.000 0.198 476 D C 1.120 177.450 176.300 0.050 0.000 0.982 476 D CA 1.737 55.744 54.000 0.012 0.000 0.828 476 D CB -0.703 40.102 40.800 0.009 0.000 0.967 476 D HN 0.601 nan 8.370 nan 0.000 0.464 477 N N -0.230 118.473 118.700 0.006 0.000 2.381 477 N HA -0.070 4.670 4.740 0.000 0.000 0.182 477 N C 1.502 177.058 175.510 0.077 0.000 1.025 477 N CA 0.532 53.603 53.050 0.035 0.000 0.888 477 N CB -0.554 37.921 38.487 -0.021 0.000 0.965 477 N HN 0.315 nan 8.380 nan 0.000 0.438 478 C N -0.871 118.477 119.300 0.080 0.000 2.539 478 C HA 0.135 4.595 4.460 0.000 0.000 0.268 478 C C 2.269 177.326 174.990 0.112 0.000 1.395 478 C CA -0.209 58.870 59.018 0.102 0.000 1.757 478 C CB -1.046 26.762 27.740 0.113 0.000 1.851 478 C HN 0.513 nan 8.230 nan 0.000 0.545 479 C N -0.207 119.168 119.300 0.124 0.000 2.912 479 C HA 0.112 4.572 4.460 0.000 0.000 0.274 479 C C 1.134 176.181 174.990 0.095 0.000 1.248 479 C CA -0.314 58.777 59.018 0.122 0.000 1.694 479 C CB -1.075 26.764 27.740 0.166 0.000 2.024 479 C HN 0.540 nan 8.230 nan 0.000 0.605 480 K N 1.506 121.963 120.400 0.096 0.000 2.469 480 K HA 0.248 4.568 4.320 0.000 0.000 0.274 480 K C 0.792 177.419 176.600 0.046 0.000 0.983 480 K CA 0.952 57.286 56.287 0.079 0.000 0.974 480 K CB 0.338 32.908 32.500 0.118 0.000 0.913 480 K HN 0.502 nan 8.250 nan 0.000 0.493 481 D N 1.449 121.854 120.400 0.008 0.000 2.398 481 D HA 0.063 4.703 4.640 0.000 0.000 0.210 481 D C 0.538 176.784 176.300 -0.090 0.000 1.094 481 D CA -0.030 53.956 54.000 -0.024 0.000 0.839 481 D CB 0.492 41.281 40.800 -0.018 0.000 0.963 481 D HN 0.388 nan 8.370 nan 0.000 0.506 482 S N -0.671 114.934 115.700 -0.157 0.000 2.661 482 S HA 0.766 5.236 4.470 0.000 0.000 0.265 482 S C 0.448 174.700 174.600 -0.579 0.000 1.225 482 S CA 0.091 58.091 58.200 -0.333 0.000 0.986 482 S CB 1.524 64.503 63.200 -0.368 0.000 1.008 482 S HN 0.848 nan 8.310 nan 0.000 0.565 483 A N -0.090 122.319 122.820 -0.686 0.000 2.437 483 A HA 0.916 5.236 4.320 0.000 0.000 0.292 483 A C -1.530 175.527 177.584 -0.878 0.000 1.173 483 A CA -0.614 50.995 52.037 -0.713 0.000 0.785 483 A CB 0.704 19.536 19.000 -0.281 0.000 1.351 483 A HN 0.552 nan 8.150 nan 0.000 0.431 484 F N -0.767 119.181 119.950 -0.002 0.000 2.664 484 F HA 0.654 5.181 4.527 0.000 0.000 0.317 484 F C 0.106 175.902 175.800 -0.005 0.000 1.108 484 F CA -0.352 57.644 58.000 -0.006 0.000 0.957 484 F CB 2.117 41.113 39.000 -0.007 0.000 1.365 484 F HN 0.805 nan 8.300 nan 0.000 0.475 485 E N -0.272 120.051 120.200 0.204 0.000 2.412 485 E HA 0.542 4.893 4.350 0.000 0.000 0.279 485 E C -1.742 174.902 176.600 0.072 0.000 0.984 485 E CA -1.370 55.093 56.400 0.105 0.000 0.788 485 E CB 2.008 31.745 29.700 0.062 0.000 1.277 485 E HN 0.557 nan 8.360 nan 0.000 0.455 486 R N 1.645 122.170 120.500 0.041 0.000 2.207 486 R HA 0.301 4.641 4.340 0.000 0.000 0.334 486 R C -0.319 175.986 176.300 0.008 0.000 1.013 486 R CA -0.755 55.354 56.100 0.016 0.000 0.858 486 R CB 1.344 31.649 30.300 0.010 0.000 1.094 486 R HN 0.445 nan 8.270 nan 0.000 0.457 487 K N 2.666 123.065 120.400 -0.001 0.000 2.205 487 K HA 0.065 4.385 4.320 0.000 0.000 0.279 487 K C -0.246 176.354 176.600 -0.000 0.000 1.027 487 K CA -0.555 55.736 56.287 0.006 0.000 0.932 487 K CB 0.864 33.374 32.500 0.016 0.000 1.032 487 K HN 0.418 nan 8.250 nan 0.000 0.466 488 N N 5.343 124.044 118.700 0.000 0.000 2.430 488 N HA 0.062 4.802 4.740 0.000 0.000 0.265 488 N C 0.237 175.743 175.510 -0.006 0.000 1.100 488 N CA -0.172 52.872 53.050 -0.010 0.000 0.961 488 N CB 0.542 39.012 38.487 -0.027 0.000 1.075 488 N HN 0.711 nan 8.380 nan 0.000 0.478 489 I N 0.624 121.213 120.570 0.033 0.000 3.947 489 I HA 0.179 4.349 4.170 0.000 0.000 0.327 489 I C 0.604 176.785 176.117 0.107 0.000 1.519 489 I CA -0.431 60.938 61.300 0.114 0.000 1.122 489 I CB -0.055 38.116 38.000 0.284 0.000 1.146 489 I HN 0.157 nan 8.210 nan 0.000 0.442 490 T N 0.969 115.521 114.554 -0.004 0.000 2.684 490 T HA -0.131 4.219 4.350 0.000 0.000 0.267 490 T C 1.697 176.352 174.700 -0.075 0.000 1.036 490 T CA 1.772 63.852 62.100 -0.035 0.000 1.148 490 T CB -0.139 68.704 68.868 -0.042 0.000 0.863 490 T HN 0.383 nan 8.240 nan 0.000 0.436 491 E N 0.375 120.492 120.200 -0.140 0.000 2.204 491 E HA -0.066 4.284 4.350 0.000 0.000 0.194 491 E C 1.944 178.509 176.600 -0.059 0.000 0.989 491 E CA 0.825 57.144 56.400 -0.135 0.000 0.824 491 E CB -0.277 29.319 29.700 -0.173 0.000 0.756 491 E HN 0.629 nan 8.360 nan 0.000 0.477 492 Y N -0.214 120.150 120.300 0.106 0.000 2.293 492 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 492 Y C 2.660 178.532 175.900 -0.048 0.000 1.137 492 Y CA 0.307 58.494 58.100 0.145 0.000 1.202 492 Y CB -1.077 37.589 38.460 0.343 0.000 0.990 492 Y HN 0.151 nan 8.280 nan 0.000 0.537 493 C N 0.421 119.709 119.300 -0.019 0.000 2.457 493 C HA -0.104 4.356 4.460 0.000 0.000 0.278 493 C C 2.786 177.593 174.990 -0.306 0.000 1.309 493 C CA 0.712 59.434 59.018 -0.494 0.000 1.735 493 C CB -0.931 26.256 27.740 -0.921 0.000 1.992 493 C HN 0.504 nan 8.230 nan 0.000 0.493 494 R N 0.443 120.837 120.500 -0.176 0.000 2.115 494 R HA -0.085 4.255 4.340 0.000 0.000 0.230 494 R C 1.690 177.933 176.300 -0.095 0.000 1.111 494 R CA 1.636 57.663 56.100 -0.121 0.000 0.976 494 R CB -0.359 29.894 30.300 -0.078 0.000 0.870 494 R HN 0.577 nan 8.270 nan 0.000 0.445 495 D N 0.890 121.248 120.400 -0.070 0.000 2.097 495 D HA -0.106 4.535 4.640 0.000 0.000 0.197 495 D C 2.040 178.249 176.300 -0.151 0.000 0.984 495 D CA 0.976 54.941 54.000 -0.058 0.000 0.826 495 D CB -0.210 40.614 40.800 0.039 0.000 0.973 495 D HN 0.128 nan 8.370 nan 0.000 0.460 496 L N 0.702 121.760 121.223 -0.275 0.000 2.043 496 L HA -0.178 4.163 4.340 0.000 0.000 0.212 496 L C 2.560 179.327 176.870 -0.171 0.000 1.075 496 L CA 0.880 55.539 54.840 -0.301 0.000 0.752 496 L CB -0.385 41.463 42.059 -0.353 0.000 0.891 496 L HN 0.038 nan 8.230 nan 0.000 0.432 497 I N -0.413 120.064 120.570 -0.155 0.000 2.361 497 I HA -0.296 3.874 4.170 0.000 0.000 0.251 497 I C 2.524 178.595 176.117 -0.076 0.000 1.133 497 I CA 1.259 62.495 61.300 -0.107 0.000 1.413 497 I CB -0.328 37.608 38.000 -0.108 0.000 1.073 497 I HN 0.263 nan 8.210 nan 0.000 0.424 498 K N 0.994 121.352 120.400 -0.070 0.000 2.032 498 K HA -0.183 4.138 4.320 0.000 0.000 0.209 498 K C 2.058 178.635 176.600 -0.039 0.000 1.048 498 K CA 1.552 57.812 56.287 -0.045 0.000 0.927 498 K CB -0.243 32.238 32.500 -0.030 0.000 0.712 498 K HN 0.305 nan 8.250 nan 0.000 0.441 499 I N 1.226 121.768 120.570 -0.047 0.000 2.127 499 I HA -0.322 3.848 4.170 0.000 0.000 0.241 499 I C 2.372 178.468 176.117 -0.034 0.000 1.075 499 I CA 1.399 62.679 61.300 -0.034 0.000 1.334 499 I CB -0.497 37.479 38.000 -0.040 0.000 1.040 499 I HN 0.140 nan 8.210 nan 0.000 0.405 500 L N 0.645 121.841 121.223 -0.046 0.000 2.042 500 L HA -0.255 4.085 4.340 0.000 0.000 0.210 500 L C 2.897 179.745 176.870 -0.037 0.000 1.076 500 L CA 1.554 56.370 54.840 -0.041 0.000 0.749 500 L CB -0.611 41.423 42.059 -0.042 0.000 0.893 500 L HN 0.161 nan 8.230 nan 0.000 0.432 501 K N -0.228 120.150 120.400 -0.037 0.000 2.097 501 K HA -0.218 4.102 4.320 0.000 0.000 0.205 501 K C 2.012 178.596 176.600 -0.027 0.000 1.050 501 K CA 1.698 57.966 56.287 -0.032 0.000 0.938 501 K CB -0.253 32.229 32.500 -0.031 0.000 0.718 501 K HN 0.514 nan 8.250 nan 0.000 0.442 502 Q N -0.685 119.101 119.800 -0.024 0.000 2.084 502 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 502 Q C 2.135 178.122 176.000 -0.022 0.000 0.978 502 Q CA 1.669 57.461 55.803 -0.018 0.000 0.844 502 Q CB -0.452 28.279 28.738 -0.012 0.000 0.898 502 Q HN 0.564 nan 8.270 nan 0.000 0.426 503 A N 1.571 124.375 122.820 -0.027 0.000 1.940 503 A HA -0.270 4.051 4.320 0.000 0.000 0.219 503 A C 1.836 179.395 177.584 -0.042 0.000 1.176 503 A CA 1.856 53.873 52.037 -0.034 0.000 0.631 503 A CB -0.727 18.249 19.000 -0.041 0.000 0.814 503 A HN 0.748 nan 8.150 nan 0.000 0.446 504 E N -0.529 119.647 120.200 -0.041 0.000 2.107 504 E HA -0.181 4.169 4.350 0.000 0.000 0.191 504 E C 1.415 177.995 176.600 -0.033 0.000 0.982 504 E CA 0.997 57.371 56.400 -0.043 0.000 0.809 504 E CB -0.356 29.320 29.700 -0.040 0.000 0.756 504 E HN 0.546 nan 8.360 nan 0.000 0.459 505 E N 1.334 121.518 120.200 -0.027 0.000 2.118 505 E HA -0.137 4.213 4.350 0.000 0.000 0.195 505 E C 2.212 178.800 176.600 -0.021 0.000 0.992 505 E CA 0.899 57.286 56.400 -0.021 0.000 0.804 505 E CB -0.226 29.464 29.700 -0.017 0.000 0.741 505 E HN 0.438 nan 8.360 nan 0.000 0.458 506 L N 0.768 121.977 121.223 -0.023 0.000 2.599 506 L HA 0.044 4.384 4.340 0.000 0.000 0.230 506 L C 0.254 177.107 176.870 -0.027 0.000 1.141 506 L CA -0.072 54.755 54.840 -0.022 0.000 0.877 506 L CB -0.434 41.613 42.059 -0.019 0.000 1.009 506 L HN 0.087 nan 8.230 nan 0.000 0.447 507 N N 1.832 120.511 118.700 -0.035 0.000 2.726 507 N HA -0.154 4.586 4.740 0.000 0.000 0.253 507 N C -0.559 174.917 175.510 -0.055 0.000 1.059 507 N CA 0.854 53.879 53.050 -0.042 0.000 0.701 507 N CB -0.408 38.060 38.487 -0.031 0.000 0.899 507 N HN 0.476 nan 8.380 nan 0.000 0.548 508 E N 0.523 120.680 120.200 -0.072 0.000 2.340 508 E HA 0.376 4.727 4.350 0.000 0.000 0.273 508 E C -0.432 176.079 176.600 -0.148 0.000 0.891 508 E CA -0.589 55.756 56.400 -0.092 0.000 0.757 508 E CB 2.085 31.749 29.700 -0.060 0.000 1.231 508 E HN 0.092 nan 8.360 nan 0.000 0.439 509 K N 1.682 121.942 120.400 -0.234 0.000 2.207 509 K HA 0.557 4.877 4.320 0.000 0.000 0.255 509 K C -0.597 175.835 176.600 -0.280 0.000 0.941 509 K CA -0.587 55.458 56.287 -0.403 0.000 0.825 509 K CB 1.544 33.505 32.500 -0.899 0.000 1.119 509 K HN 0.252 nan 8.250 nan 0.000 0.430 510 L N 2.769 123.901 121.223 -0.151 0.000 2.287 510 L HA 0.339 4.679 4.340 0.000 0.000 0.287 510 L C 0.622 177.602 176.870 0.182 0.000 1.022 510 L CA -0.884 53.969 54.840 0.022 0.000 0.814 510 L CB 1.476 43.539 42.059 0.007 0.000 1.217 510 L HN 0.777 nan 8.230 nan 0.000 0.420 511 T N -0.535 114.134 114.554 0.192 0.000 2.788 511 T HA 0.239 4.589 4.350 0.000 0.000 0.287 511 T C -1.851 172.829 174.700 -0.034 0.000 1.007 511 T CA -1.547 60.597 62.100 0.073 0.000 1.005 511 T CB 1.051 69.922 68.868 0.005 0.000 1.012 511 T HN 0.302 nan 8.240 nan 0.000 0.530 512 P HA -0.081 nan 4.420 nan 0.000 0.216 512 P C 1.691 179.012 177.300 0.035 0.000 1.153 512 P CA 0.422 63.441 63.100 -0.136 0.000 0.858 512 P CB -0.100 31.294 31.700 -0.510 0.000 0.789 513 L N -0.067 121.161 121.223 0.008 0.000 2.083 513 L HA -0.152 4.188 4.340 0.000 0.000 0.209 513 L C 1.903 178.808 176.870 0.060 0.000 1.083 513 L CA 2.001 56.876 54.840 0.059 0.000 0.752 513 L CB -0.902 41.178 42.059 0.034 0.000 0.899 513 L HN -0.150 nan 8.230 nan 0.000 0.433 514 K N -1.102 119.326 120.400 0.047 0.000 2.228 514 K HA -0.091 4.229 4.320 0.000 0.000 0.202 514 K C 1.942 178.579 176.600 0.061 0.000 1.051 514 K CA 1.093 57.410 56.287 0.050 0.000 0.960 514 K CB -0.183 32.343 32.500 0.043 0.000 0.743 514 K HN 0.260 nan 8.250 nan 0.000 0.458 515 L N 1.180 122.444 121.223 0.068 0.000 2.068 515 L HA -0.113 4.227 4.340 0.000 0.000 0.204 515 L C 2.235 179.189 176.870 0.139 0.000 1.076 515 L CA 1.199 56.085 54.840 0.077 0.000 0.753 515 L CB -0.238 41.856 42.059 0.060 0.000 0.910 515 L HN -0.121 nan 8.230 nan 0.000 0.439 516 I N -0.286 120.379 120.570 0.157 0.000 2.264 516 I HA -0.233 3.937 4.170 0.000 0.000 0.248 516 I C 2.387 178.598 176.117 0.157 0.000 1.111 516 I CA 1.343 62.763 61.300 0.201 0.000 1.382 516 I CB -1.583 36.484 38.000 0.112 0.000 1.060 516 I HN 0.396 nan 8.210 nan 0.000 0.418 517 D N 0.131 120.592 120.400 0.102 0.000 2.097 517 D HA -0.157 4.483 4.640 0.000 0.000 0.195 517 D C 2.419 178.774 176.300 0.091 0.000 0.989 517 D CA 1.874 55.916 54.000 0.072 0.000 0.827 517 D CB -0.486 40.343 40.800 0.049 0.000 0.966 517 D HN 0.422 nan 8.370 nan 0.000 0.456 518 S N -0.585 115.181 115.700 0.109 0.000 2.356 518 S HA -0.182 4.288 4.470 0.000 0.000 0.223 518 S C 1.821 176.534 174.600 0.188 0.000 1.032 518 S CA 1.152 59.420 58.200 0.113 0.000 1.005 518 S CB -0.490 62.762 63.200 0.087 0.000 0.867 518 S HN 0.363 nan 8.310 nan 0.000 0.449 519 W N 2.063 123.364 121.300 0.002 0.000 2.301 519 W HA -0.121 4.539 4.660 0.000 0.000 0.325 519 W C 2.128 178.641 176.519 -0.011 0.000 1.250 519 W CA 1.597 58.942 57.345 -0.001 0.000 1.261 519 W CB -1.045 28.409 29.460 -0.010 0.000 1.157 519 W HN 0.341 nan 8.180 nan 0.000 0.473 520 M N 0.150 119.798 119.600 0.079 0.000 2.700 520 M HA 0.073 4.553 4.480 0.000 0.000 0.249 520 M C 1.678 177.959 176.300 -0.032 0.000 1.082 520 M CA 1.428 56.677 55.300 -0.086 0.000 1.077 520 M CB -0.767 31.773 32.600 -0.101 0.000 1.477 520 M HN 0.302 nan 8.290 nan 0.000 0.529 521 G N 0.941 109.758 108.800 0.028 0.000 2.179 521 G HA2 -0.264 3.697 3.960 0.000 0.000 0.260 521 G HA3 -0.264 3.697 3.960 0.000 0.000 0.260 521 G C 0.283 175.194 174.900 0.017 0.000 0.977 521 G CA 0.516 45.630 45.100 0.023 0.000 0.641 521 G HN 0.442 nan 8.290 nan 0.000 0.533 522 K N -0.249 120.161 120.400 0.017 0.000 2.651 522 K HA 0.692 5.012 4.320 0.000 0.000 0.283 522 K C 1.266 177.881 176.600 0.024 0.000 1.018 522 K CA -0.233 56.062 56.287 0.013 0.000 1.127 522 K CB 0.225 32.727 32.500 0.004 0.000 1.501 522 K HN 1.379 nan 8.250 nan 0.000 0.608 523 G N 0.081 108.893 108.800 0.020 0.000 2.752 523 G HA2 -0.152 3.808 3.960 0.000 0.000 0.234 523 G HA3 -0.152 3.808 3.960 0.000 0.000 0.234 523 G C -0.387 174.525 174.900 0.021 0.000 1.367 523 G CA -0.459 44.655 45.100 0.023 0.000 0.879 523 G HN 0.754 nan 8.290 nan 0.000 0.563 524 A N -0.214 122.618 122.820 0.021 0.000 2.540 524 A HA 0.668 4.989 4.320 0.000 0.000 0.239 524 A C 1.760 179.354 177.584 0.017 0.000 1.061 524 A CA 1.208 53.255 52.037 0.017 0.000 0.758 524 A CB 0.315 19.325 19.000 0.016 0.000 0.991 524 A HN 2.492 nan 8.150 nan 0.000 0.502 525 A N 2.805 125.633 122.820 0.015 0.000 1.929 525 A HA -0.094 4.226 4.320 0.000 0.000 0.216 525 A C 1.938 179.531 177.584 0.014 0.000 1.176 525 A CA 1.575 53.621 52.037 0.015 0.000 0.628 525 A CB -0.459 18.549 19.000 0.012 0.000 0.816 525 A HN 0.964 nan 8.150 nan 0.000 0.444 526 K N -0.000 120.406 120.400 0.011 0.000 2.360 526 K HA -0.012 4.308 4.320 0.000 0.000 0.201 526 K C 1.082 177.688 176.600 0.009 0.000 1.046 526 K CA 1.443 57.735 56.287 0.008 0.000 0.940 526 K CB -0.447 32.056 32.500 0.005 0.000 0.748 526 K HN 0.445 nan 8.250 nan 0.000 0.465 527 L N 1.093 122.324 121.223 0.013 0.000 2.592 527 L HA 0.148 4.488 4.340 0.000 0.000 0.227 527 L C 0.644 177.527 176.870 0.023 0.000 1.127 527 L CA -0.419 54.429 54.840 0.014 0.000 0.884 527 L CB -0.060 42.007 42.059 0.014 0.000 1.065 527 L HN 0.102 nan 8.230 nan 0.000 0.457 528 R N 0.197 120.714 120.500 0.027 0.000 2.560 528 R HA 0.442 4.782 4.340 0.000 0.000 0.270 528 R C -0.608 175.712 176.300 0.033 0.000 1.074 528 R CA -0.453 55.670 56.100 0.039 0.000 1.140 528 R CB 1.555 31.878 30.300 0.038 0.000 1.073 528 R HN -0.177 nan 8.270 nan 0.000 0.527 529 V N 1.543 121.482 119.914 0.043 0.000 2.409 529 V HA 0.262 4.382 4.120 0.000 0.000 0.291 529 V C 0.127 176.245 176.094 0.039 0.000 1.020 529 V CA -0.993 61.327 62.300 0.034 0.000 0.848 529 V CB 1.545 33.385 31.823 0.029 0.000 0.990 529 V HN 0.924 nan 8.190 nan 0.000 0.430 530 A N 3.812 126.649 122.820 0.028 0.000 2.545 530 A HA 0.511 4.831 4.320 0.000 0.000 0.253 530 A C 1.460 179.063 177.584 0.031 0.000 1.074 530 A CA 0.949 53.002 52.037 0.027 0.000 0.760 530 A CB -0.583 18.428 19.000 0.019 0.000 1.005 530 A HN 2.169 nan 8.150 nan 0.000 0.506 531 G N 1.348 110.171 108.800 0.037 0.000 2.201 531 G HA2 -0.133 3.827 3.960 0.000 0.000 0.212 531 G HA3 -0.133 3.827 3.960 0.000 0.000 0.212 531 G C 0.140 175.075 174.900 0.059 0.000 0.994 531 G CA -0.029 45.094 45.100 0.040 0.000 0.644 531 G HN 1.316 nan 8.290 nan 0.000 0.508 532 V N 0.764 120.725 119.914 0.078 0.000 2.567 532 V HA 0.711 4.831 4.120 0.000 0.000 0.289 532 V C 0.282 176.455 176.094 0.131 0.000 1.049 532 V CA -0.306 62.069 62.300 0.123 0.000 0.969 532 V CB 1.848 33.762 31.823 0.151 0.000 0.995 532 V HN 0.612 nan 8.190 nan 0.000 0.471 533 V N 4.785 124.793 119.914 0.157 0.000 2.443 533 V HA 0.803 4.923 4.120 0.000 0.000 0.293 533 V C 0.262 176.414 176.094 0.097 0.000 1.021 533 V CA -0.422 61.940 62.300 0.104 0.000 0.848 533 V CB 1.455 33.323 31.823 0.075 0.000 0.998 533 V HN 1.089 nan 8.190 nan 0.000 0.424 534 A N 8.640 131.438 122.820 -0.035 0.000 2.401 534 A HA 0.803 5.123 4.320 0.000 0.000 0.259 534 A C -2.249 175.166 177.584 -0.281 0.000 1.103 534 A CA -1.003 50.831 52.037 -0.337 0.000 0.789 534 A CB 0.034 18.690 19.000 -0.573 0.000 1.035 534 A HN 0.778 nan 8.150 nan 0.000 0.491 535 P HA 0.292 nan 4.420 nan 0.000 0.275 535 P C -0.145 177.021 177.300 -0.224 0.000 1.266 535 P CA -0.191 62.799 63.100 -0.183 0.000 0.793 535 P CB 0.215 31.806 31.700 -0.182 0.000 1.074 536 T N -0.766 113.708 114.554 -0.133 0.000 3.471 536 T HA 0.558 4.908 4.350 0.000 0.000 0.355 536 T C 0.084 174.708 174.700 -0.126 0.000 1.775 536 T CA -0.451 61.577 62.100 -0.121 0.000 1.305 536 T CB -0.996 67.829 68.868 -0.071 0.000 1.171 536 T HN 0.134 nan 8.240 nan 0.000 0.776 537 L N 1.161 122.274 121.223 -0.183 0.000 2.309 537 L HA 0.656 4.997 4.340 0.000 0.000 0.261 537 L C -2.204 174.562 176.870 -0.173 0.000 1.021 537 L CA -2.923 51.817 54.840 -0.167 0.000 0.823 537 L CB 1.340 43.283 42.059 -0.193 0.000 1.366 537 L HN 0.177 nan 8.230 nan 0.000 0.423 538 P HA 0.178 nan 4.420 nan 0.000 0.273 538 P C 0.115 177.317 177.300 -0.164 0.000 1.250 538 P CA -0.498 62.524 63.100 -0.131 0.000 0.793 538 P CB 0.721 32.362 31.700 -0.099 0.000 1.011 539 R N 0.540 120.950 120.500 -0.150 0.000 2.115 539 R HA -0.159 4.181 4.340 0.000 0.000 0.230 539 R C 1.430 177.614 176.300 -0.192 0.000 1.111 539 R CA 1.530 57.527 56.100 -0.172 0.000 0.976 539 R CB -0.115 30.103 30.300 -0.137 0.000 0.870 539 R HN 0.488 nan 8.270 nan 0.000 0.445 540 E N 0.171 120.275 120.200 -0.159 0.000 2.268 540 E HA -0.148 4.203 4.350 0.000 0.000 0.195 540 E C 1.193 177.696 176.600 -0.163 0.000 0.995 540 E CA 1.222 57.525 56.400 -0.162 0.000 0.836 540 E CB 0.031 29.662 29.700 -0.116 0.000 0.763 540 E HN 0.366 nan 8.360 nan 0.000 0.491 541 D N 0.226 120.532 120.400 -0.156 0.000 2.183 541 D HA -0.019 4.621 4.640 0.000 0.000 0.205 541 D C 1.882 178.079 176.300 -0.171 0.000 0.962 541 D CA 0.554 54.468 54.000 -0.144 0.000 0.849 541 D CB -0.069 40.649 40.800 -0.136 0.000 0.978 541 D HN 0.154 nan 8.370 nan 0.000 0.488 542 L N 0.802 121.894 121.223 -0.218 0.000 2.083 542 L HA -0.152 4.188 4.340 0.000 0.000 0.209 542 L C 2.257 179.029 176.870 -0.162 0.000 1.083 542 L CA 1.202 55.931 54.840 -0.184 0.000 0.752 542 L CB -0.379 41.505 42.059 -0.292 0.000 0.899 542 L HN 0.034 nan 8.230 nan 0.000 0.433 543 E N 0.272 120.268 120.200 -0.339 0.000 2.051 543 E HA -0.274 4.076 4.350 0.000 0.000 0.192 543 E C 2.180 178.597 176.600 -0.304 0.000 0.991 543 E CA 1.330 57.337 56.400 -0.654 0.000 0.799 543 E CB -0.020 29.183 29.700 -0.828 0.000 0.748 543 E HN 0.325 nan 8.360 nan 0.000 0.449 544 K N 0.997 121.306 120.400 -0.152 0.000 2.097 544 K HA -0.150 4.171 4.320 0.000 0.000 0.206 544 K C 2.031 178.607 176.600 -0.040 0.000 1.049 544 K CA 1.007 57.281 56.287 -0.021 0.000 0.933 544 K CB -0.073 32.420 32.500 -0.011 0.000 0.717 544 K HN 0.044 nan 8.250 nan 0.000 0.442 545 I N 1.008 121.508 120.570 -0.116 0.000 2.163 545 I HA -0.303 3.868 4.170 0.000 0.000 0.243 545 I C 2.203 178.138 176.117 -0.305 0.000 1.085 545 I CA 1.281 62.439 61.300 -0.236 0.000 1.347 545 I CB -0.145 37.740 38.000 -0.191 0.000 1.044 545 I HN 0.206 nan 8.210 nan 0.000 0.408 546 I N 0.503 121.025 120.570 -0.080 0.000 2.226 546 I HA -0.304 3.867 4.170 0.000 0.000 0.245 546 I C 2.740 178.967 176.117 0.182 0.000 1.100 546 I CA 1.287 62.642 61.300 0.092 0.000 1.374 546 I CB -0.485 37.647 38.000 0.219 0.000 1.057 546 I HN 0.201 nan 8.210 nan 0.000 0.413 547 A N -0.025 122.931 122.820 0.226 0.000 1.978 547 A HA -0.321 3.999 4.320 0.000 0.000 0.220 547 A C 2.128 179.754 177.584 0.070 0.000 1.170 547 A CA 2.215 54.367 52.037 0.192 0.000 0.636 547 A CB -0.990 18.154 19.000 0.240 0.000 0.810 547 A HN 0.559 nan 8.150 nan 0.000 0.448 548 H N -1.580 117.449 119.070 -0.067 0.000 2.333 548 H HA -0.022 4.534 4.556 0.000 0.000 0.302 548 H C 1.666 177.036 175.328 0.071 0.000 1.075 548 H CA 1.926 57.926 56.048 -0.080 0.000 1.348 548 H CB -0.328 29.309 29.762 -0.208 0.000 1.393 548 H HN 0.516 nan 8.280 nan 0.000 0.509 549 F N -0.821 119.233 119.950 0.174 0.000 2.269 549 F HA -0.146 4.381 4.527 0.000 0.000 0.301 549 F C 2.194 178.063 175.800 0.115 0.000 1.082 549 F CA 0.088 58.192 58.000 0.174 0.000 1.360 549 F CB 0.013 39.097 39.000 0.140 0.000 1.041 549 F HN 0.239 nan 8.300 nan 0.000 0.512 550 L N 1.241 122.589 121.223 0.208 0.000 2.023 550 L HA -0.104 4.236 4.340 0.000 0.000 0.205 550 L C 2.181 179.003 176.870 -0.081 0.000 1.073 550 L CA 1.521 56.402 54.840 0.069 0.000 0.745 550 L CB -0.711 41.354 42.059 0.011 0.000 0.900 550 L HN 0.213 nan 8.230 nan 0.000 0.435 551 I N -3.200 117.245 120.570 -0.209 0.000 2.676 551 I HA -0.132 4.038 4.170 0.000 0.000 0.259 551 I C 1.553 177.626 176.117 -0.073 0.000 1.194 551 I CA 0.874 62.031 61.300 -0.238 0.000 1.473 551 I CB -0.568 37.254 38.000 -0.297 0.000 1.096 551 I HN 0.304 nan 8.210 nan 0.000 0.443 552 Q N 0.741 120.509 119.800 -0.053 0.000 2.451 552 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 552 Q C 0.452 176.411 176.000 -0.068 0.000 0.947 552 Q CA 0.278 56.071 55.803 -0.017 0.000 0.937 552 Q CB 0.069 28.865 28.738 0.097 0.000 1.025 552 Q HN 0.625 nan 8.270 nan 0.000 0.511 553 Q N -2.095 117.708 119.800 0.004 0.000 2.466 553 Q HA -0.214 4.126 4.340 0.000 0.000 0.248 553 Q C 0.500 176.451 176.000 -0.081 0.000 0.791 553 Q CA 0.701 56.489 55.803 -0.026 0.000 1.225 553 Q CB -2.366 26.341 28.738 -0.051 0.000 1.418 553 Q HN 0.496 nan 8.270 nan 0.000 0.662 554 Y N -0.208 120.113 120.300 0.035 0.000 2.293 554 Y HA 0.011 4.562 4.550 0.000 0.000 0.291 554 Y C 1.743 177.627 175.900 -0.027 0.000 1.137 554 Y CA 1.179 59.265 58.100 -0.023 0.000 1.202 554 Y CB 0.334 38.746 38.460 -0.079 0.000 0.990 554 Y HN 0.147 nan 8.280 nan 0.000 0.537 555 L N -0.121 121.207 121.223 0.175 0.000 2.271 555 L HA 0.499 4.839 4.340 0.000 0.000 0.265 555 L C -0.650 176.281 176.870 0.102 0.000 1.013 555 L CA -1.223 53.688 54.840 0.118 0.000 0.820 555 L CB 2.289 44.440 42.059 0.153 0.000 1.352 555 L HN -0.116 nan 8.230 nan 0.000 0.443 556 K N -0.875 119.576 120.400 0.086 0.000 2.579 556 K HA 0.479 4.799 4.320 0.000 0.000 0.284 556 K C -1.617 175.014 176.600 0.051 0.000 0.990 556 K CA -0.952 55.385 56.287 0.083 0.000 0.880 556 K CB 1.749 34.282 32.500 0.056 0.000 1.488 556 K HN 0.390 nan 8.250 nan 0.000 0.425 557 E N 0.626 120.835 120.200 0.017 0.000 2.313 557 E HA 0.175 4.525 4.350 0.000 0.000 0.272 557 E C -1.268 175.171 176.600 -0.267 0.000 1.038 557 E CA -0.598 55.720 56.400 -0.138 0.000 0.863 557 E CB 1.252 30.805 29.700 -0.244 0.000 1.060 557 E HN 0.531 nan 8.360 nan 0.000 0.402 558 D N 1.991 122.223 120.400 -0.280 0.000 2.402 558 D HA 0.164 4.804 4.640 0.000 0.000 0.252 558 D C -1.620 174.608 176.300 -0.119 0.000 1.294 558 D CA -0.383 53.533 54.000 -0.140 0.000 0.948 558 D CB 0.307 41.128 40.800 0.035 0.000 1.202 558 D HN 0.248 nan 8.370 nan 0.000 0.561 559 Y N 1.466 121.806 120.300 0.067 0.000 2.309 559 Y HA 0.462 5.013 4.550 0.001 0.000 0.327 559 Y C 0.939 176.841 175.900 0.003 0.000 1.172 559 Y CA -0.456 57.621 58.100 -0.039 0.000 1.280 559 Y CB 1.591 39.996 38.460 -0.092 0.000 1.234 559 Y HN 0.218 nan 8.280 nan 0.000 0.512 560 S N 2.660 118.387 115.700 0.046 0.000 2.521 560 S HA 0.626 5.096 4.470 0.000 0.000 0.295 560 S C -1.454 173.083 174.600 -0.104 0.000 1.098 560 S CA -0.702 57.552 58.200 0.090 0.000 0.999 560 S CB 0.343 63.673 63.200 0.217 0.000 1.034 560 S HN 0.419 nan 8.310 nan 0.000 0.483 561 F N 3.139 123.134 119.950 0.075 0.000 2.404 561 F HA 0.466 4.993 4.527 0.001 0.000 0.354 561 F C 1.182 176.998 175.800 0.026 0.000 1.122 561 F CA -0.232 57.791 58.000 0.039 0.000 1.080 561 F CB 1.841 40.855 39.000 0.023 0.000 1.131 561 F HN 0.651 nan 8.300 nan 0.000 0.471 562 T N -0.719 113.910 114.554 0.125 0.000 2.883 562 T HA 0.662 5.012 4.350 0.000 0.000 0.284 562 T C 1.010 175.719 174.700 0.016 0.000 1.041 562 T CA -0.342 61.799 62.100 0.068 0.000 1.007 562 T CB 1.549 70.446 68.868 0.047 0.000 1.220 562 T HN 0.482 nan 8.240 nan 0.000 0.552 563 A N -0.478 122.291 122.820 -0.084 0.000 1.978 563 A HA 0.058 4.378 4.320 0.000 0.000 0.220 563 A C 1.358 178.679 177.584 -0.437 0.000 1.170 563 A CA 1.133 52.988 52.037 -0.303 0.000 0.636 563 A CB -1.052 17.670 19.000 -0.464 0.000 0.810 563 A HN 0.881 nan 8.150 nan 0.000 0.448 564 Y N -2.478 117.848 120.300 0.045 0.000 2.626 564 Y HA 0.561 5.111 4.550 0.000 0.000 0.248 564 Y C 0.488 176.405 175.900 0.027 0.000 1.147 564 Y CA 0.108 58.229 58.100 0.035 0.000 1.219 564 Y CB 0.661 39.137 38.460 0.027 0.000 1.279 564 Y HN 0.364 nan 8.280 nan 0.000 0.541 565 A N -0.194 122.703 122.820 0.128 0.000 2.594 565 A HA 0.631 4.951 4.320 0.000 0.000 0.296 565 A C -0.874 176.683 177.584 -0.045 0.000 1.061 565 A CA -0.647 51.423 52.037 0.056 0.000 0.689 565 A CB 0.685 19.719 19.000 0.057 0.000 1.280 565 A HN -0.046 nan 8.150 nan 0.000 0.406 566 T N 2.568 117.047 114.554 -0.124 0.000 2.744 566 T HA 0.571 4.921 4.350 0.000 0.000 0.291 566 T C 0.229 174.810 174.700 -0.198 0.000 0.957 566 T CA 0.006 61.914 62.100 -0.320 0.000 1.002 566 T CB 0.211 68.828 68.868 -0.417 0.000 0.919 566 T HN 0.913 nan 8.240 nan 0.000 0.468 567 I N 0.118 120.556 120.570 -0.219 0.000 2.740 567 I HA 0.751 4.921 4.170 0.000 0.000 0.303 567 I C -0.559 175.401 176.117 -0.261 0.000 1.044 567 I CA -0.832 60.334 61.300 -0.223 0.000 1.064 567 I CB 2.253 40.070 38.000 -0.305 0.000 1.249 567 I HN 0.409 nan 8.210 nan 0.000 0.433 568 S N 4.286 119.836 115.700 -0.251 0.000 2.508 568 S HA 0.579 5.049 4.470 0.000 0.000 0.284 568 S C -0.966 173.361 174.600 -0.454 0.000 1.192 568 S CA -0.368 57.673 58.200 -0.265 0.000 1.070 568 S CB 0.812 63.982 63.200 -0.050 0.000 1.004 568 S HN 0.557 nan 8.310 nan 0.000 0.493 569 Y N 0.760 120.982 120.300 -0.130 0.000 2.587 569 Y HA 0.570 5.120 4.550 0.000 0.000 0.337 569 Y C -0.092 175.739 175.900 -0.115 0.000 1.065 569 Y CA -1.299 56.731 58.100 -0.118 0.000 1.126 569 Y CB 1.082 39.497 38.460 -0.075 0.000 1.279 569 Y HN 0.409 nan 8.280 nan 0.000 0.489 570 L N 2.342 123.623 121.223 0.096 0.000 2.309 570 L HA 0.554 4.894 4.340 0.000 0.000 0.282 570 L C -0.605 176.289 176.870 0.040 0.000 1.036 570 L CA -0.536 54.336 54.840 0.053 0.000 0.806 570 L CB 1.318 43.406 42.059 0.047 0.000 1.220 570 L HN 0.576 nan 8.230 nan 0.000 0.429 571 K N 2.508 122.927 120.400 0.031 0.000 2.480 571 K HA 0.549 4.869 4.320 0.000 0.000 0.258 571 K C -0.953 175.655 176.600 0.014 0.000 0.990 571 K CA -1.004 55.291 56.287 0.012 0.000 0.857 571 K CB 2.510 35.014 32.500 0.006 0.000 1.384 571 K HN 0.376 nan 8.250 nan 0.000 0.446 572 I N 2.204 122.773 120.570 -0.002 0.000 2.821 572 I HA -0.061 4.109 4.170 0.000 0.000 0.294 572 I C 0.982 177.102 176.117 0.004 0.000 1.210 572 I CA 0.407 61.705 61.300 -0.004 0.000 1.430 572 I CB 0.036 38.026 38.000 -0.017 0.000 1.356 572 I HN 0.666 nan 8.210 nan 0.000 0.563 573 G N 6.824 115.631 108.800 0.012 0.000 2.535 573 G HA2 0.376 4.336 3.960 0.000 0.000 0.303 573 G HA3 0.376 4.336 3.960 0.000 0.000 0.303 573 G C -1.788 173.100 174.900 -0.021 0.000 1.237 573 G CA -0.909 44.195 45.100 0.006 0.000 0.986 573 G HN 0.429 nan 8.290 nan 0.000 0.494 574 P HA 0.018 nan 4.420 nan 0.000 0.221 574 P C 1.235 178.479 177.300 -0.093 0.000 1.150 574 P CA 0.918 63.986 63.100 -0.053 0.000 0.800 574 P CB 0.307 31.978 31.700 -0.048 0.000 0.787 575 K N -0.589 119.717 120.400 -0.157 0.000 2.404 575 K HA 0.283 4.604 4.320 0.000 0.000 0.194 575 K C 1.625 178.114 176.600 -0.185 0.000 1.023 575 K CA 0.258 56.389 56.287 -0.260 0.000 1.094 575 K CB -0.200 31.982 32.500 -0.529 0.000 0.841 575 K HN 0.046 nan 8.250 nan 0.000 0.523 576 A N 2.630 125.412 122.820 -0.063 0.000 2.172 576 A HA -0.160 4.160 4.320 0.000 0.000 0.216 576 A C 1.785 179.355 177.584 -0.023 0.000 1.154 576 A CA 1.122 53.173 52.037 0.024 0.000 0.701 576 A CB -0.490 18.515 19.000 0.008 0.000 0.789 576 A HN 0.422 nan 8.150 nan 0.000 0.465 577 N N 0.161 118.827 118.700 -0.056 0.000 2.459 577 N HA -0.098 4.643 4.740 0.000 0.000 0.181 577 N C 1.104 176.559 175.510 -0.093 0.000 1.046 577 N CA 0.938 53.950 53.050 -0.063 0.000 0.904 577 N CB -0.535 37.919 38.487 -0.055 0.000 0.964 577 N HN 0.278 nan 8.380 nan 0.000 0.444 578 L N 1.020 122.160 121.223 -0.138 0.000 2.131 578 L HA 0.045 4.385 4.340 0.000 0.000 0.210 578 L C 2.103 178.766 176.870 -0.344 0.000 1.092 578 L CA 0.940 55.614 54.840 -0.277 0.000 0.759 578 L CB -0.896 40.923 42.059 -0.401 0.000 0.903 578 L HN 0.181 nan 8.230 nan 0.000 0.435 579 L N -0.243 120.863 121.223 -0.195 0.000 2.700 579 L HA -0.101 4.239 4.340 0.000 0.000 0.240 579 L C 1.485 178.318 176.870 -0.063 0.000 1.162 579 L CA -0.024 54.750 54.840 -0.109 0.000 0.874 579 L CB -0.659 41.363 42.059 -0.061 0.000 1.001 579 L HN 0.312 nan 8.230 nan 0.000 0.447 580 N N -0.193 118.466 118.700 -0.068 0.000 2.416 580 N HA -0.083 4.657 4.740 0.000 0.000 0.177 580 N C 0.785 176.284 175.510 -0.017 0.000 1.036 580 N CA 0.407 53.435 53.050 -0.037 0.000 0.901 580 N CB -0.287 38.178 38.487 -0.035 0.000 0.976 580 N HN 0.233 nan 8.380 nan 0.000 0.444 581 N N 1.880 120.573 118.700 -0.012 0.000 2.405 581 N HA -0.036 4.705 4.740 0.000 0.000 0.260 581 N C 0.242 175.782 175.510 0.050 0.000 1.152 581 N CA 0.017 53.084 53.050 0.028 0.000 0.948 581 N CB 0.493 39.015 38.487 0.059 0.000 1.111 581 N HN 0.232 nan 8.380 nan 0.000 0.485 582 E N 2.178 122.398 120.200 0.034 0.000 2.512 582 E HA 0.103 4.453 4.350 0.000 0.000 0.195 582 E C 0.516 177.142 176.600 0.043 0.000 1.083 582 E CA 0.251 56.670 56.400 0.032 0.000 0.873 582 E CB 0.178 29.886 29.700 0.013 0.000 0.897 582 E HN 0.495 nan 8.360 nan 0.000 0.514 583 A N 0.552 123.409 122.820 0.062 0.000 2.503 583 A HA 0.122 4.443 4.320 0.000 0.000 0.263 583 A C -0.064 177.567 177.584 0.078 0.000 1.258 583 A CA -0.433 51.636 52.037 0.054 0.000 0.936 583 A CB -0.321 18.702 19.000 0.038 0.000 1.070 583 A HN 0.338 nan 8.150 nan 0.000 0.522 584 H N 0.649 119.725 119.070 0.011 0.000 2.652 584 H HA 0.608 5.164 4.556 0.000 0.000 0.349 584 H C -0.045 175.291 175.328 0.014 0.000 1.099 584 H CA 0.541 56.603 56.048 0.024 0.000 1.417 584 H CB 0.892 30.675 29.762 0.036 0.000 1.457 584 H HN 0.296 nan 8.280 nan 0.000 0.568 585 A N 5.691 128.239 122.820 -0.454 0.000 2.393 585 A HA 0.528 4.848 4.320 0.000 0.000 0.306 585 A C -1.098 176.334 177.584 -0.253 0.000 1.050 585 A CA -0.767 51.124 52.037 -0.244 0.000 0.724 585 A CB 0.914 19.835 19.000 -0.132 0.000 1.248 585 A HN 0.705 nan 8.150 nan 0.000 0.424 586 I N 2.549 123.067 120.570 -0.088 0.000 2.362 586 I HA 0.476 4.647 4.170 0.000 0.000 0.289 586 I C 0.224 176.362 176.117 0.034 0.000 0.994 586 I CA -0.353 60.954 61.300 0.011 0.000 1.158 586 I CB 2.129 40.150 38.000 0.035 0.000 1.315 586 I HN 0.769 nan 8.210 nan 0.000 0.451 587 T N 3.561 118.140 114.554 0.043 0.000 2.908 587 T HA 0.753 5.103 4.350 0.000 0.000 0.290 587 T C -0.596 174.068 174.700 -0.060 0.000 1.034 587 T CA -0.855 61.244 62.100 -0.002 0.000 1.010 587 T CB 2.592 71.457 68.868 -0.005 0.000 1.068 587 T HN 0.580 nan 8.240 nan 0.000 0.481 588 M N 1.714 121.233 119.600 -0.134 0.000 2.501 588 M HA 0.434 4.914 4.480 0.000 0.000 0.293 588 M C -1.018 175.212 176.300 -0.117 0.000 1.192 588 M CA -0.735 54.423 55.300 -0.236 0.000 0.886 588 M CB 2.618 34.938 32.600 -0.467 0.000 1.710 588 M HN 0.943 nan 8.290 nan 0.000 0.457 589 Q N 3.076 122.815 119.800 -0.102 0.000 2.288 589 Q HA 0.600 4.940 4.340 0.000 0.000 0.254 589 Q C -1.442 174.534 176.000 -0.040 0.000 0.932 589 Q CA -0.574 55.189 55.803 -0.066 0.000 0.902 589 Q CB 1.059 29.727 28.738 -0.117 0.000 1.203 589 Q HN 0.594 nan 8.270 nan 0.000 0.415 590 V N -0.019 119.918 119.914 0.038 0.000 3.130 590 V HA 0.670 4.790 4.120 0.000 0.000 0.310 590 V C -0.244 175.985 176.094 0.224 0.000 1.158 590 V CA -0.578 61.774 62.300 0.087 0.000 1.029 590 V CB 1.452 33.302 31.823 0.045 0.000 1.057 590 V HN 0.915 nan 8.190 nan 0.000 0.436 591 T N -0.081 114.601 114.554 0.213 0.000 2.907 591 T HA 0.450 4.800 4.350 0.000 0.000 0.298 591 T C -0.015 174.713 174.700 0.047 0.000 1.017 591 T CA -0.358 61.843 62.100 0.169 0.000 1.118 591 T CB 0.810 69.740 68.868 0.104 0.000 0.948 591 T HN 0.883 nan 8.240 nan 0.000 0.531 592 K N 0.000 120.386 120.400 -0.024 0.000 2.780 592 K HA 0.000 4.320 4.320 0.000 0.000 0.191 592 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 592 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 592 K HN 0.000 nan 8.250 nan 0.000 0.543