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 1ika_1_A DATA FIRST_RESID 3 DATA SEQUENCE SKVVVPAQGK KITLQNGKLN VPENPIIPYI EGDGIGVDVT PAMLKVVDAA DATA SEQUENCE VEKAYKGERK ISWMEIYTGE KSTQVYGQDV WLPAETLDLI REYRVAIKGP DATA SEQUENCE LTTPVGGGIR SLNVALRQEL DLYICLRPVR YYQGTPSPVK HPELTDMVIF DATA SEQUENCE RENSEDIYAG IEWKADSADA EKVIKFLREE MGVKKIRFPE HCGIGIKPCS DATA SEQUENCE EEGTKRLVRA AIEYAIANDR DSVTLVHKGN IMKFTEGAFK DWGYQLAREE DATA SEQUENCE FGGELIDGGP WLKVKNPNTG KEIVIKDVIA DAFLQQILLR PAEYDVIACM DATA SEQUENCE NLNGDYISDA LAAQVGGIGI APGANIGDEC ALFEATHGTA PKYAGQDKVN DATA SEQUENCE PGSIILSAEM MLRHMGWTEA ADLIVKGMEG AINAKTVTYD FERLMDGAKL DATA SEQUENCE LKCSEFGDAI IENM 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.582 174.600 -0.030 0.000 1.055 3 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 3 S CB 0.000 63.156 63.200 -0.074 0.000 0.593 4 K N -0.599 119.795 120.400 -0.011 0.000 2.543 4 K HA -0.209 nan 4.320 nan 0.000 0.628 4 K C -1.122 175.519 176.600 0.067 0.000 1.930 4 K CA 0.481 56.781 56.287 0.023 0.000 0.936 4 K CB -0.380 32.122 32.500 0.002 0.000 1.663 4 K HN -0.048 8.196 8.250 -0.011 0.000 0.505 5 V N 0.278 120.259 119.914 0.112 0.000 5.713 5 V HA -0.372 nan 4.120 nan 0.000 0.270 5 V C 0.322 176.439 176.094 0.039 0.000 0.711 5 V CA 0.628 62.972 62.300 0.074 0.000 0.976 5 V CB -1.077 30.782 31.823 0.060 0.000 1.124 5 V HN 0.353 8.645 8.190 0.170 0.000 0.430 6 V N 3.113 123.050 119.914 0.039 0.000 2.614 6 V HA 0.203 nan 4.120 nan 0.000 0.291 6 V C -0.233 175.877 176.094 0.027 0.000 1.049 6 V CA -1.197 61.127 62.300 0.039 0.000 1.038 6 V CB 0.391 32.243 31.823 0.049 0.000 0.980 6 V HN -0.070 8.147 8.190 0.046 0.000 0.481 7 V N 4.088 124.030 119.914 0.047 0.000 2.398 7 V HA 0.486 nan 4.120 nan 0.000 0.286 7 V C 0.205 176.341 176.094 0.071 0.000 1.026 7 V CA -3.147 59.190 62.300 0.061 0.000 0.868 7 V CB 0.719 32.612 31.823 0.116 0.000 0.982 7 V HN 0.077 8.299 8.190 0.054 0.000 0.443 8 P HA -0.010 nan 4.420 nan 0.000 0.272 8 P C 0.119 177.458 177.300 0.066 0.000 1.542 8 P CA -0.052 63.093 63.100 0.074 0.000 0.846 8 P CB -1.985 29.763 31.700 0.080 0.000 1.782 9 A N 1.159 124.016 122.820 0.062 0.000 1.353 9 A HA -0.611 nan 4.320 nan 0.000 0.335 9 A C 1.760 179.371 177.584 0.043 0.000 4.268 9 A CA 2.687 54.755 52.037 0.050 0.000 1.094 9 A CB -1.725 17.300 19.000 0.043 0.000 1.462 9 A HN -0.035 8.153 8.150 0.065 0.000 0.720 10 Q N 1.221 121.045 119.800 0.040 0.000 2.389 10 Q HA -0.005 nan 4.340 nan 0.000 0.204 10 Q C 1.158 177.178 176.000 0.034 0.000 0.944 10 Q CA -0.538 55.285 55.803 0.033 0.000 0.908 10 Q CB 0.745 29.501 28.738 0.030 0.000 1.002 10 Q HN -0.083 8.161 8.270 0.044 0.052 0.493 11 G N 0.240 109.066 108.800 0.043 0.000 2.441 11 G HA2 -0.134 nan 3.960 nan 0.000 0.243 11 G HA3 -0.134 nan 3.960 nan 0.000 0.243 11 G C -0.994 173.936 174.900 0.050 0.000 1.281 11 G CA -0.034 45.093 45.100 0.045 0.000 0.854 11 G HN -0.263 7.899 8.290 0.050 0.158 0.560 12 K N 3.825 124.246 120.400 0.036 0.000 2.323 12 K HA 0.252 nan 4.320 nan 0.000 0.259 12 K C -0.777 175.833 176.600 0.017 0.000 0.947 12 K CA -2.491 53.808 56.287 0.020 0.000 0.819 12 K CB 2.972 35.477 32.500 0.007 0.000 1.109 12 K HN 0.384 8.651 8.250 0.028 0.000 0.429 13 K N 4.998 125.392 120.400 -0.009 0.000 2.489 13 K HA -0.214 nan 4.320 nan 0.000 0.278 13 K C -0.789 175.765 176.600 -0.078 0.000 1.000 13 K CA 0.396 56.630 56.287 -0.088 0.000 1.012 13 K CB 0.572 32.906 32.500 -0.277 0.000 0.903 13 K HN 0.313 8.553 8.250 -0.017 0.000 0.485 14 I N 5.666 126.204 120.570 -0.055 0.000 2.556 14 I HA -0.126 nan 4.170 nan 0.000 0.284 14 I C -0.025 176.057 176.117 -0.059 0.000 1.114 14 I CA 0.523 61.795 61.300 -0.045 0.000 1.418 14 I CB 0.267 38.251 38.000 -0.027 0.000 1.394 14 I HN 0.150 8.344 8.210 -0.026 0.000 0.552 15 T N 4.633 119.158 114.554 -0.047 0.000 2.910 15 T HA 0.353 nan 4.350 nan 0.000 0.279 15 T C -0.770 173.914 174.700 -0.027 0.000 0.989 15 T CA -2.061 60.013 62.100 -0.044 0.000 0.968 15 T CB 1.750 70.594 68.868 -0.040 0.000 1.135 15 T HN -0.177 8.039 8.240 -0.040 0.000 0.562 16 L N -1.074 120.137 121.223 -0.021 0.000 2.299 16 L HA 0.589 nan 4.340 nan 0.000 0.268 16 L C -0.387 176.477 176.870 -0.011 0.000 1.012 16 L CA -0.965 53.868 54.840 -0.012 0.000 0.816 16 L CB 2.892 44.951 42.059 -0.001 0.000 1.355 16 L HN 0.100 8.316 8.230 -0.024 0.000 0.457 17 Q N -1.199 118.597 119.800 -0.007 0.000 2.781 17 Q HA 0.082 nan 4.340 nan 0.000 0.364 17 Q C -1.539 174.460 176.000 -0.001 0.000 0.717 17 Q CA -0.568 55.231 55.803 -0.006 0.000 0.884 17 Q CB 2.507 31.240 28.738 -0.008 0.000 1.208 17 Q HN 0.094 8.361 8.270 -0.004 0.000 0.502 18 N N 0.493 119.192 118.700 -0.001 0.000 2.814 18 N HA -0.214 nan 4.740 nan 0.000 0.304 18 N C 0.963 176.476 175.510 0.005 0.000 1.211 18 N CA 0.295 53.347 53.050 0.003 0.000 1.158 18 N CB -1.542 36.946 38.487 0.001 0.000 1.458 18 N HN 0.196 8.575 8.380 -0.003 0.000 0.519 19 G N 2.574 111.379 108.800 0.009 0.000 2.507 19 G HA2 -0.539 nan 3.960 nan 0.000 0.240 19 G HA3 -0.539 nan 3.960 nan 0.000 0.240 19 G C -0.605 174.292 174.900 -0.004 0.000 1.119 19 G CA 0.625 45.731 45.100 0.010 0.000 0.664 19 G HN 0.651 8.917 8.290 0.010 0.031 0.516 20 K N 4.370 124.766 120.400 -0.008 0.000 2.161 20 K HA -0.317 nan 4.320 nan 0.000 0.260 20 K C -0.363 176.222 176.600 -0.024 0.000 1.158 20 K CA -0.198 56.079 56.287 -0.016 0.000 1.172 20 K CB -0.622 31.871 32.500 -0.011 0.000 0.917 20 K HN -0.321 7.816 8.250 -0.003 0.111 0.410 21 L N 5.289 126.486 121.223 -0.043 0.000 2.700 21 L HA -0.288 nan 4.340 nan 0.000 0.272 21 L C -0.324 176.522 176.870 -0.040 0.000 1.176 21 L CA 0.454 55.262 54.840 -0.053 0.000 0.961 21 L CB -0.174 41.819 42.059 -0.109 0.000 1.249 21 L HN 0.130 8.306 8.230 -0.052 0.023 0.487 22 N N 7.156 125.838 118.700 -0.029 0.000 3.188 22 N HA -0.013 nan 4.740 nan 0.000 0.279 22 N C -1.463 174.034 175.510 -0.021 0.000 1.213 22 N CA -0.716 52.322 53.050 -0.020 0.000 1.138 22 N CB 0.148 38.624 38.487 -0.018 0.000 1.417 22 N HN -0.282 8.081 8.380 -0.028 0.000 0.526 23 V N 4.748 124.649 119.914 -0.021 0.000 2.338 23 V HA 0.368 nan 4.120 nan 0.000 0.255 23 V C -2.201 173.919 176.094 0.042 0.000 1.082 23 V CA -4.703 57.579 62.300 -0.030 0.000 0.951 23 V CB -0.179 31.575 31.823 -0.115 0.000 1.102 23 V HN -0.596 7.549 8.190 -0.017 0.035 0.489 24 P HA 0.006 nan 4.420 nan 0.000 0.271 24 P C -0.323 177.049 177.300 0.119 0.000 1.233 24 P CA -0.113 63.016 63.100 0.048 0.000 0.795 24 P CB 0.835 32.545 31.700 0.018 0.000 0.936 25 E N -1.824 118.417 120.200 0.069 0.000 2.208 25 E HA -0.257 nan 4.350 nan 0.000 0.193 25 E C 0.438 177.102 176.600 0.106 0.000 0.988 25 E CA 2.216 58.648 56.400 0.055 0.000 0.828 25 E CB 0.225 29.910 29.700 -0.025 0.000 0.763 25 E HN 0.190 8.569 8.360 0.032 0.000 0.478 26 N N -2.576 116.170 118.700 0.077 0.000 2.990 26 N HA 0.400 nan 4.740 nan 0.000 0.288 26 N C -2.865 172.662 175.510 0.029 0.000 1.624 26 N CA -3.231 49.856 53.050 0.062 0.000 0.961 26 N CB 0.807 39.314 38.487 0.033 0.000 1.259 26 N HN -0.207 8.187 8.380 0.052 0.016 0.489 27 P HA 0.323 nan 4.420 nan 0.000 0.286 27 P C -1.167 176.074 177.300 -0.097 0.000 1.261 27 P CA -1.159 61.903 63.100 -0.064 0.000 0.821 27 P CB 1.314 32.929 31.700 -0.142 0.000 1.013 28 I N 2.878 123.447 120.570 -0.002 0.000 2.304 28 I HA 0.160 nan 4.170 nan 0.000 0.291 28 I C -0.862 175.294 176.117 0.066 0.000 1.018 28 I CA -0.174 61.154 61.300 0.047 0.000 1.260 28 I CB 0.716 38.846 38.000 0.216 0.000 1.390 28 I HN -0.144 8.089 8.210 0.038 0.000 0.475 29 I N 6.472 127.016 120.570 -0.044 0.000 2.359 29 I HA 0.377 nan 4.170 nan 0.000 0.284 29 I C -2.039 174.162 176.117 0.139 0.000 1.018 29 I CA -3.666 57.626 61.300 -0.014 0.000 1.173 29 I CB 1.075 38.934 38.000 -0.235 0.000 1.326 29 I HN -0.177 7.970 8.210 -0.105 0.000 0.462 30 P HA 0.471 nan 4.420 nan 0.000 0.275 30 P C -2.096 175.336 177.300 0.220 0.000 1.228 30 P CA -1.047 62.109 63.100 0.094 0.000 0.786 30 P CB 0.370 32.026 31.700 -0.073 0.000 0.927 31 Y N -0.538 119.785 120.300 0.037 0.000 2.298 31 Y HA 0.441 nan 4.550 nan 0.000 0.322 31 Y C -2.271 173.582 175.900 -0.079 0.000 1.138 31 Y CA -1.614 56.506 58.100 0.034 0.000 1.127 31 Y CB 1.939 40.486 38.460 0.145 0.000 1.178 31 Y HN 0.351 8.625 8.280 -0.010 0.000 0.428 32 I N 7.309 127.624 120.570 -0.425 0.000 2.496 32 I HA -0.103 nan 4.170 nan 0.000 0.285 32 I C 0.002 175.907 176.117 -0.353 0.000 1.080 32 I CA 0.615 61.656 61.300 -0.432 0.000 1.404 32 I CB 0.271 38.145 38.000 -0.209 0.000 1.403 32 I HN 0.509 8.607 8.210 -0.188 0.000 0.539 33 E N 7.873 127.873 120.200 -0.334 0.000 2.107 33 E HA -0.228 nan 4.350 nan 0.000 0.191 33 E C 0.049 176.637 176.600 -0.019 0.000 0.982 33 E CA 1.777 58.110 56.400 -0.112 0.000 0.809 33 E CB 0.817 30.473 29.700 -0.073 0.000 0.756 33 E HN -0.089 8.187 8.360 -0.409 -0.161 0.459 34 G N -2.510 106.276 108.800 -0.023 0.000 2.685 34 G HA2 -0.333 nan 3.960 nan 0.000 0.387 34 G HA3 -0.333 nan 3.960 nan 0.000 0.387 34 G C -1.684 173.233 174.900 0.028 0.000 1.324 34 G CA -0.697 44.415 45.100 0.021 0.000 0.878 34 G HN -0.088 8.170 8.290 -0.053 0.000 0.527 35 D N 1.665 122.089 120.400 0.038 0.000 2.619 35 D HA 0.314 nan 4.640 nan 0.000 0.241 35 D C 0.326 176.643 176.300 0.028 0.000 1.087 35 D CA -0.241 53.780 54.000 0.035 0.000 0.851 35 D CB 2.916 43.747 40.800 0.051 0.000 1.474 35 D HN -0.304 8.094 8.370 0.047 0.000 0.478 36 G N 1.866 110.677 108.800 0.019 0.000 2.552 36 G HA2 -0.405 nan 3.960 nan 0.000 0.267 36 G HA3 -0.405 nan 3.960 nan 0.000 0.267 36 G C 1.094 175.993 174.900 -0.001 0.000 1.174 36 G CA 0.766 45.870 45.100 0.006 0.000 0.955 36 G HN 0.264 8.565 8.290 0.019 0.000 0.546 37 I N 0.341 120.899 120.570 -0.020 0.000 2.800 37 I HA -0.283 nan 4.170 nan 0.000 0.266 37 I C 1.260 177.386 176.117 0.015 0.000 1.249 37 I CA 2.029 63.314 61.300 -0.024 0.000 1.458 37 I CB -0.980 36.967 38.000 -0.088 0.000 1.093 37 I HN 0.065 8.254 8.210 -0.034 0.000 0.466 38 G N 0.201 109.021 108.800 0.035 0.000 2.469 38 G HA2 -0.418 nan 3.960 nan 0.000 0.219 38 G HA3 -0.418 nan 3.960 nan 0.000 0.219 38 G C 0.919 175.847 174.900 0.046 0.000 1.150 38 G CA 2.457 47.592 45.100 0.059 0.000 0.763 38 G HN -0.392 7.776 8.290 0.025 0.137 0.561 39 V N -3.539 116.394 119.914 0.030 0.000 2.660 39 V HA -0.304 nan 4.120 nan 0.000 0.257 39 V C 0.066 176.173 176.094 0.022 0.000 1.088 39 V CA 3.010 65.325 62.300 0.024 0.000 1.106 39 V CB -0.979 30.852 31.823 0.014 0.000 0.686 39 V HN -0.440 7.743 8.190 0.024 0.022 0.481 40 D N -0.924 119.491 120.400 0.024 0.000 2.414 40 D HA -0.014 nan 4.640 nan 0.000 0.237 40 D C 2.154 178.475 176.300 0.035 0.000 0.975 40 D CA 2.418 56.432 54.000 0.024 0.000 0.917 40 D CB 1.655 42.468 40.800 0.021 0.000 1.061 40 D HN -0.555 7.662 8.370 0.027 0.169 0.480 41 V N -3.434 116.513 119.914 0.054 0.000 2.358 41 V HA -0.210 nan 4.120 nan 0.000 0.246 41 V C 1.990 178.111 176.094 0.045 0.000 1.047 41 V CA 3.986 66.331 62.300 0.073 0.000 1.035 41 V CB -1.126 30.776 31.823 0.132 0.000 0.658 41 V HN -0.163 8.061 8.190 0.056 0.000 0.452 42 T N 1.506 116.084 114.554 0.040 0.000 2.904 42 T HA 0.175 nan 4.350 nan 0.000 0.267 42 T C -0.656 174.004 174.700 -0.067 0.000 1.059 42 T CA 5.666 67.772 62.100 0.010 0.000 1.137 42 T CB -2.362 66.555 68.868 0.081 0.000 0.879 42 T HN -0.089 8.185 8.240 0.056 0.000 0.467 43 P HA -0.241 nan 4.420 nan 0.000 0.217 43 P C 0.125 177.368 177.300 -0.095 0.000 1.148 43 P CA 3.208 66.261 63.100 -0.080 0.000 0.834 43 P CB -0.352 31.328 31.700 -0.033 0.000 0.783 44 A N -2.955 119.830 122.820 -0.057 0.000 1.878 44 A HA -0.086 nan 4.320 nan 0.000 0.213 44 A C 1.871 179.413 177.584 -0.069 0.000 1.192 44 A CA 2.623 54.637 52.037 -0.039 0.000 0.619 44 A CB -0.603 18.406 19.000 0.014 0.000 0.837 44 A HN -0.755 7.337 8.150 -0.032 0.038 0.446 45 M N -0.380 119.172 119.600 -0.080 0.000 2.144 45 M HA -0.357 nan 4.480 nan 0.000 0.260 45 M C 2.055 178.225 176.300 -0.216 0.000 1.067 45 M CA 2.419 57.658 55.300 -0.101 0.000 1.095 45 M CB -0.764 31.786 32.600 -0.083 0.000 1.365 45 M HN -0.668 7.590 8.290 -0.055 0.000 0.406 46 L N -2.898 118.091 121.223 -0.390 0.000 2.005 46 L HA -0.447 nan 4.340 nan 0.000 0.207 46 L C 1.528 178.303 176.870 -0.158 0.000 1.072 46 L CA 3.481 57.995 54.840 -0.542 0.000 0.744 46 L CB -0.676 40.936 42.059 -0.744 0.000 0.895 46 L HN -0.248 7.762 8.230 -0.358 0.005 0.433 47 K N -1.328 119.008 120.400 -0.107 0.000 2.103 47 K HA -0.392 nan 4.320 nan 0.000 0.207 47 K C 2.717 179.324 176.600 0.013 0.000 1.048 47 K CA 2.889 59.159 56.287 -0.028 0.000 0.930 47 K CB -0.711 31.771 32.500 -0.029 0.000 0.716 47 K HN -0.832 7.333 8.250 -0.141 0.000 0.444 48 V N 0.133 120.048 119.914 0.003 0.000 2.379 48 V HA -0.203 nan 4.120 nan 0.000 0.245 48 V C 1.426 177.567 176.094 0.079 0.000 1.044 48 V CA 3.821 66.134 62.300 0.021 0.000 1.036 48 V CB -0.219 31.599 31.823 -0.009 0.000 0.664 48 V HN 0.025 8.174 8.190 -0.029 0.024 0.453 49 V N -0.738 119.268 119.914 0.154 0.000 3.041 49 V HA -0.298 nan 4.120 nan 0.000 0.260 49 V C 1.802 178.057 176.094 0.268 0.000 1.105 49 V CA 3.162 65.612 62.300 0.250 0.000 1.125 49 V CB -0.919 31.162 31.823 0.430 0.000 0.730 49 V HN -0.489 7.782 8.190 0.136 0.000 0.479 50 D N -0.497 120.049 120.400 0.243 0.000 2.234 50 D HA -0.105 nan 4.640 nan 0.000 0.205 50 D C 2.025 178.395 176.300 0.117 0.000 0.962 50 D CA 3.207 57.327 54.000 0.200 0.000 0.855 50 D CB -0.362 40.555 40.800 0.195 0.000 0.951 50 D HN -0.013 8.473 8.370 0.223 0.018 0.500 51 A N -0.283 122.587 122.820 0.083 0.000 1.930 51 A HA -0.043 nan 4.320 nan 0.000 0.215 51 A C 1.508 179.103 177.584 0.019 0.000 1.176 51 A CA 2.827 54.887 52.037 0.039 0.000 0.632 51 A CB -0.560 18.450 19.000 0.017 0.000 0.819 51 A HN -0.531 7.573 8.150 0.087 0.099 0.445 52 A N -3.491 119.348 122.820 0.031 0.000 2.208 52 A HA -0.009 nan 4.320 nan 0.000 0.209 52 A C 1.563 179.119 177.584 -0.046 0.000 1.161 52 A CA 2.225 54.255 52.037 -0.013 0.000 0.782 52 A CB -0.277 18.730 19.000 0.012 0.000 0.816 52 A HN -0.327 7.858 8.150 0.059 0.000 0.477 53 V N -4.814 115.129 119.914 0.049 0.000 3.125 53 V HA -0.033 nan 4.120 nan 0.000 0.249 53 V C 1.486 177.589 176.094 0.015 0.000 1.113 53 V CA 2.361 64.702 62.300 0.069 0.000 1.106 53 V CB -0.334 31.653 31.823 0.273 0.000 0.768 53 V HN -0.649 7.573 8.190 0.103 0.029 0.468 54 E N 0.009 120.222 120.200 0.022 0.000 2.152 54 E HA -0.177 nan 4.350 nan 0.000 0.192 54 E C 2.020 178.598 176.600 -0.036 0.000 0.983 54 E CA 2.536 58.940 56.400 0.006 0.000 0.818 54 E CB -0.071 29.641 29.700 0.021 0.000 0.758 54 E HN -0.323 8.066 8.360 0.048 0.000 0.467 55 K N -2.357 118.004 120.400 -0.066 0.000 2.078 55 K HA -0.018 nan 4.320 nan 0.000 0.203 55 K C 2.349 178.839 176.600 -0.183 0.000 1.043 55 K CA 1.754 57.982 56.287 -0.098 0.000 0.960 55 K CB 0.418 32.868 32.500 -0.083 0.000 0.761 55 K HN -0.290 7.824 8.250 -0.048 0.107 0.448 56 A N -0.094 122.525 122.820 -0.336 0.000 1.873 56 A HA -0.121 nan 4.320 nan 0.000 0.215 56 A C 1.474 178.719 177.584 -0.565 0.000 1.186 56 A CA 2.765 54.467 52.037 -0.559 0.000 0.616 56 A CB -0.303 18.114 19.000 -0.972 0.000 0.823 56 A HN -0.080 7.753 8.150 -0.322 0.123 0.442 57 Y N -5.563 114.631 120.300 -0.176 0.000 2.461 57 Y HA 0.078 nan 4.550 nan 0.000 0.277 57 Y C -0.967 174.846 175.900 -0.146 0.000 1.182 57 Y CA -2.045 55.928 58.100 -0.212 0.000 1.276 57 Y CB -0.575 37.670 38.460 -0.358 0.000 1.087 57 Y HN -0.807 7.172 8.280 -0.502 0.000 0.519 58 K N -1.012 119.377 120.400 -0.019 0.000 3.311 58 K HA -0.350 nan 4.320 nan 0.000 0.270 58 K C -0.121 176.476 176.600 -0.005 0.000 0.927 58 K CA 0.431 56.706 56.287 -0.020 0.000 0.706 58 K CB -2.255 30.231 32.500 -0.023 0.000 1.418 58 K HN -0.478 7.634 8.250 -0.086 0.086 0.459 59 G N -3.447 105.355 108.800 0.003 0.000 2.272 59 G HA2 -0.383 nan 3.960 nan 0.000 0.280 59 G HA3 -0.383 nan 3.960 nan 0.000 0.280 59 G C -0.328 174.571 174.900 -0.002 0.000 1.067 59 G CA 0.721 45.825 45.100 0.007 0.000 0.902 59 G HN -0.037 8.254 8.290 0.002 0.000 0.500 60 E N -1.710 118.483 120.200 -0.012 0.000 2.378 60 E HA 0.060 nan 4.350 nan 0.000 0.200 60 E C -0.140 176.406 176.600 -0.089 0.000 0.882 60 E CA 0.534 56.904 56.400 -0.049 0.000 1.061 60 E CB 1.456 31.114 29.700 -0.070 0.000 1.049 60 E HN 0.215 8.579 8.360 0.007 0.000 0.494 61 R N 0.481 120.881 120.500 -0.167 0.000 2.349 61 R HA 0.053 nan 4.340 nan 0.000 0.299 61 R C -1.190 175.098 176.300 -0.021 0.000 1.027 61 R CA 0.271 56.223 56.100 -0.246 0.000 0.958 61 R CB 0.939 30.634 30.300 -1.007 0.000 1.047 61 R HN -0.386 7.809 8.270 -0.125 0.000 0.468 62 K N 3.335 123.798 120.400 0.104 0.000 2.588 62 K HA 0.158 nan 4.320 nan 0.000 0.250 62 K C -1.018 175.633 176.600 0.086 0.000 0.972 62 K CA -1.074 55.281 56.287 0.113 0.000 0.821 62 K CB 2.602 35.138 32.500 0.061 0.000 1.249 62 K HN -0.197 8.126 8.250 0.122 0.000 0.442 63 I N 5.022 125.589 120.570 -0.004 0.000 2.556 63 I HA 0.022 nan 4.170 nan 0.000 0.284 63 I C 0.273 176.124 176.117 -0.442 0.000 1.114 63 I CA 0.447 61.532 61.300 -0.358 0.000 1.418 63 I CB 0.557 38.060 38.000 -0.829 0.000 1.394 63 I HN 0.430 8.674 8.210 0.058 0.000 0.552 64 S N 7.714 123.194 115.700 -0.367 0.000 2.512 64 S HA 0.286 nan 4.470 nan 0.000 0.291 64 S C -1.156 173.387 174.600 -0.095 0.000 1.151 64 S CA -1.972 56.135 58.200 -0.154 0.000 1.120 64 S CB -0.562 62.619 63.200 -0.031 0.000 1.029 64 S HN 0.283 8.391 8.310 -0.338 0.000 0.485 65 W N 4.436 125.740 121.300 0.007 0.000 2.419 65 W HA 0.041 nan 4.660 nan 0.000 0.312 65 W C -0.401 176.179 176.519 0.101 0.000 1.323 65 W CA -0.674 56.682 57.345 0.019 0.000 1.293 65 W CB 0.059 29.441 29.460 -0.130 0.000 1.324 65 W HN 0.176 8.497 8.180 0.236 0.000 0.512 66 M N 5.937 125.736 119.600 0.331 0.000 2.113 66 M HA 0.213 nan 4.480 nan 0.000 0.352 66 M C -1.595 174.781 176.300 0.127 0.000 1.170 66 M CA -0.777 54.604 55.300 0.135 0.000 1.053 66 M CB 2.377 34.914 32.600 -0.105 0.000 1.601 66 M HN 0.449 8.847 8.290 0.353 0.104 0.459 67 E N 6.898 127.115 120.200 0.029 0.000 2.338 67 E HA 0.182 nan 4.350 nan 0.000 0.272 67 E C -1.332 174.980 176.600 -0.480 0.000 1.029 67 E CA 0.041 56.237 56.400 -0.340 0.000 0.872 67 E CB 0.701 30.276 29.700 -0.207 0.000 1.015 67 E HN 0.283 8.692 8.360 0.082 0.000 0.417 68 I N -2.094 118.023 120.570 -0.756 0.000 3.458 68 I HA 0.774 nan 4.170 nan 0.000 0.316 68 I C -2.357 173.065 176.117 -1.159 0.000 1.202 68 I CA -1.754 59.055 61.300 -0.819 0.000 0.929 68 I CB 3.694 41.484 38.000 -0.350 0.000 1.340 68 I HN -0.495 7.214 8.210 -0.836 0.000 0.481 69 Y N -4.582 115.656 120.300 -0.103 0.000 2.436 69 Y HA 0.327 nan 4.550 nan 0.000 0.327 69 Y C -1.012 174.817 175.900 -0.118 0.000 1.138 69 Y CA -1.223 56.809 58.100 -0.113 0.000 1.042 69 Y CB 2.688 41.081 38.460 -0.112 0.000 1.302 69 Y HN 0.127 8.269 8.280 -0.230 0.000 0.439 70 T N 4.061 118.640 114.554 0.042 0.000 2.916 70 T HA 0.601 nan 4.350 nan 0.000 0.292 70 T C -0.858 173.865 174.700 0.038 0.000 1.055 70 T CA -1.540 60.575 62.100 0.026 0.000 1.009 70 T CB 2.625 71.503 68.868 0.016 0.000 1.118 70 T HN 0.344 8.593 8.240 0.015 0.000 0.497 71 G N 4.762 113.586 108.800 0.039 0.000 2.337 71 G HA2 -0.214 nan 3.960 nan 0.000 0.197 71 G HA3 -0.214 nan 3.960 nan 0.000 0.197 71 G C -0.620 174.172 174.900 -0.181 0.000 1.238 71 G CA 0.182 45.342 45.100 0.100 0.000 1.119 71 G HN 0.126 8.431 8.290 0.026 0.000 0.514 72 E N 2.451 122.577 120.200 -0.124 0.000 2.150 72 E HA -0.210 nan 4.350 nan 0.000 0.193 72 E C 1.248 177.577 176.600 -0.452 0.000 0.985 72 E CA 2.075 58.187 56.400 -0.482 0.000 0.814 72 E CB 0.089 29.776 29.700 -0.020 0.000 0.752 72 E HN -0.189 8.455 8.360 0.082 -0.235 0.466 73 K N -0.713 119.559 120.400 -0.214 0.000 2.665 73 K HA -0.121 nan 4.320 nan 0.000 0.196 73 K C -0.399 176.046 176.600 -0.258 0.000 1.021 73 K CA 1.132 57.321 56.287 -0.163 0.000 1.066 73 K CB -0.504 32.003 32.500 0.012 0.000 0.849 73 K HN -0.254 7.924 8.250 -0.111 0.006 0.500 74 S N -1.731 113.737 115.700 -0.386 0.000 2.474 74 S HA 0.343 nan 4.470 nan 0.000 0.224 74 S C -0.809 173.541 174.600 -0.416 0.000 1.209 74 S CA -0.369 57.614 58.200 -0.362 0.000 1.212 74 S CB 0.643 63.567 63.200 -0.461 0.000 1.137 74 S HN -0.554 7.371 8.310 -0.511 0.078 0.446 75 T N -0.913 113.398 114.554 -0.406 0.000 3.321 75 T HA 0.199 nan 4.350 nan 0.000 0.251 75 T C 0.449 175.044 174.700 -0.175 0.000 0.999 75 T CA 0.954 62.858 62.100 -0.325 0.000 1.186 75 T CB 0.616 69.198 68.868 -0.476 0.000 1.163 75 T HN -0.374 7.547 8.240 -0.409 0.074 0.399 76 Q N 2.596 122.287 119.800 -0.181 0.000 3.135 76 Q HA 0.264 nan 4.340 nan 0.000 0.344 76 Q C -0.318 175.598 176.000 -0.140 0.000 1.321 76 Q CA -0.459 55.268 55.803 -0.126 0.000 1.050 76 Q CB -1.505 27.175 28.738 -0.097 0.000 1.498 76 Q HN 0.219 8.355 8.270 -0.224 0.000 0.503 77 V N -2.980 116.846 119.914 -0.148 0.000 3.415 77 V HA 0.105 nan 4.120 nan 0.000 0.255 77 V C -1.279 174.735 176.094 -0.133 0.000 1.799 77 V CA 1.175 63.364 62.300 -0.185 0.000 1.041 77 V CB 1.645 33.261 31.823 -0.345 0.000 0.945 77 V HN 0.095 8.118 8.190 -0.119 0.096 0.347 78 Y N -2.997 117.169 120.300 -0.224 0.000 3.326 78 Y HA 0.182 nan 4.550 nan 0.000 0.172 78 Y C 0.148 175.975 175.900 -0.122 0.000 0.896 78 Y CA 0.526 58.530 58.100 -0.160 0.000 1.808 78 Y CB 3.341 41.704 38.460 -0.161 0.000 1.427 78 Y HN -0.063 8.073 8.280 -0.002 0.143 0.334 79 G N -2.252 106.572 108.800 0.040 0.000 1.775 79 G HA2 -0.111 nan 3.960 nan 0.000 0.059 79 G HA3 -0.111 nan 3.960 nan 0.000 0.059 79 G C -1.987 172.934 174.900 0.036 0.000 1.152 79 G CA -0.001 45.105 45.100 0.010 0.000 1.107 79 G HN -0.746 7.558 8.290 0.023 0.000 0.323 80 Q N 3.176 123.022 119.800 0.077 0.000 2.348 80 Q HA 0.201 nan 4.340 nan 0.000 0.265 80 Q C -0.587 175.506 176.000 0.156 0.000 0.998 80 Q CA -1.098 54.776 55.803 0.119 0.000 0.831 80 Q CB 0.243 29.030 28.738 0.081 0.000 1.251 80 Q HN 0.075 8.388 8.270 0.071 0.000 0.456 81 D N 0.767 121.329 120.400 0.270 0.000 3.059 81 D HA -0.384 nan 4.640 nan 0.000 0.220 81 D C -0.766 175.766 176.300 0.386 0.000 1.169 81 D CA 1.667 55.861 54.000 0.324 0.000 0.902 81 D CB -0.904 39.978 40.800 0.138 0.000 1.116 81 D HN 0.617 9.186 8.370 0.332 0.000 0.417 82 V N -5.487 114.591 119.914 0.273 0.000 2.584 82 V HA 0.160 nan 4.120 nan 0.000 0.319 82 V C -0.101 175.923 176.094 -0.117 0.000 1.363 82 V CA -1.033 61.308 62.300 0.070 0.000 1.518 82 V CB -2.331 29.503 31.823 0.019 0.000 1.514 82 V HN -0.227 8.056 8.190 0.205 0.031 0.553 83 W N 1.990 123.226 121.300 -0.107 0.000 2.658 83 W HA -0.005 nan 4.660 nan 0.000 0.263 83 W C -0.088 176.361 176.519 -0.117 0.000 1.274 83 W CA 2.516 59.800 57.345 -0.101 0.000 1.343 83 W CB 0.818 30.243 29.460 -0.058 0.000 1.106 83 W HN -0.266 8.129 8.180 0.509 0.090 0.615 84 L N -5.396 115.863 121.223 0.060 0.000 2.935 84 L HA 0.606 nan 4.340 nan 0.000 0.243 84 L C -2.041 174.796 176.870 -0.055 0.000 1.313 84 L CA -2.543 52.302 54.840 0.008 0.000 0.969 84 L CB -0.809 41.277 42.059 0.045 0.000 1.320 84 L HN -0.490 7.717 8.230 0.064 0.062 0.511 85 P HA 0.216 nan 4.420 nan 0.000 0.277 85 P C 0.295 177.564 177.300 -0.051 0.000 1.240 85 P CA -0.764 62.234 63.100 -0.170 0.000 0.798 85 P CB 1.945 33.400 31.700 -0.409 0.000 0.979 86 A N 4.468 127.281 122.820 -0.013 0.000 1.881 86 A HA -0.340 nan 4.320 nan 0.000 0.219 86 A C 1.942 179.555 177.584 0.049 0.000 1.215 86 A CA 2.946 55.003 52.037 0.034 0.000 0.648 86 A CB -0.173 18.867 19.000 0.066 0.000 0.832 86 A HN 0.478 8.615 8.150 -0.022 0.000 0.455 87 E N -4.059 116.187 120.200 0.075 0.000 2.158 87 E HA -0.271 nan 4.350 nan 0.000 0.191 87 E C 2.082 178.720 176.600 0.062 0.000 0.982 87 E CA 2.240 58.691 56.400 0.085 0.000 0.823 87 E CB -0.908 28.865 29.700 0.122 0.000 0.766 87 E HN 0.277 8.694 8.360 0.095 0.000 0.468 88 T N 3.799 118.379 114.554 0.044 0.000 2.652 88 T HA -0.278 nan 4.350 nan 0.000 0.267 88 T C 2.012 176.719 174.700 0.012 0.000 1.039 88 T CA 4.408 66.513 62.100 0.008 0.000 1.153 88 T CB -0.669 68.194 68.868 -0.008 0.000 0.863 88 T HN -0.585 7.684 8.240 0.049 0.000 0.428 89 L N -1.809 119.424 121.223 0.016 0.000 2.189 89 L HA -0.433 nan 4.340 nan 0.000 0.214 89 L C 0.919 177.811 176.870 0.038 0.000 1.097 89 L CA 2.955 57.808 54.840 0.021 0.000 0.764 89 L CB -0.171 41.899 42.059 0.019 0.000 0.900 89 L HN -0.604 7.633 8.230 0.013 0.000 0.436 90 D N -1.931 118.500 120.400 0.052 0.000 2.338 90 D HA -0.001 nan 4.640 nan 0.000 0.208 90 D C 2.392 178.755 176.300 0.106 0.000 0.997 90 D CA 2.504 56.546 54.000 0.070 0.000 0.880 90 D CB 0.825 41.666 40.800 0.069 0.000 0.980 90 D HN -0.890 7.381 8.370 0.050 0.130 0.509 91 L N -0.036 121.250 121.223 0.106 0.000 2.362 91 L HA -0.301 nan 4.340 nan 0.000 0.219 91 L C 2.008 178.979 176.870 0.168 0.000 1.134 91 L CA 3.068 58.002 54.840 0.157 0.000 0.807 91 L CB -0.244 41.812 42.059 -0.005 0.000 0.927 91 L HN -0.182 8.091 8.230 0.071 0.000 0.447 92 I N -1.580 119.048 120.570 0.096 0.000 2.286 92 I HA -0.460 nan 4.170 nan 0.000 0.245 92 I C 1.535 177.718 176.117 0.109 0.000 1.104 92 I CA 3.800 65.153 61.300 0.089 0.000 1.397 92 I CB -0.438 37.585 38.000 0.039 0.000 1.072 92 I HN -0.691 7.535 8.210 0.065 0.023 0.417 93 R N -2.095 118.460 120.500 0.092 0.000 2.189 93 R HA -0.282 nan 4.340 nan 0.000 0.223 93 R C 0.860 177.205 176.300 0.075 0.000 1.092 93 R CA 2.310 58.454 56.100 0.074 0.000 0.989 93 R CB 0.015 30.350 30.300 0.058 0.000 0.876 93 R HN -0.225 8.094 8.270 0.082 0.000 0.457 94 E N -3.720 116.553 120.200 0.121 0.000 2.162 94 E HA -0.127 nan 4.350 nan 0.000 0.193 94 E C 0.859 177.442 176.600 -0.029 0.000 0.953 94 E CA 1.419 57.845 56.400 0.044 0.000 0.849 94 E CB 1.497 31.240 29.700 0.072 0.000 0.810 94 E HN -0.470 7.875 8.360 0.172 0.118 0.470 95 Y N -3.015 117.299 120.300 0.023 0.000 2.625 95 Y HA 0.082 nan 4.550 nan 0.000 0.285 95 Y C 0.782 176.695 175.900 0.023 0.000 1.168 95 Y CA -0.660 57.451 58.100 0.019 0.000 1.250 95 Y CB -0.361 38.112 38.460 0.020 0.000 1.130 95 Y HN -0.191 8.396 8.280 0.512 0.000 0.526 96 R N -2.375 118.212 120.500 0.144 0.000 4.171 96 R HA -0.476 nan 4.340 nan 0.000 0.367 96 R C -1.388 175.002 176.300 0.150 0.000 0.906 96 R CA 2.281 58.451 56.100 0.117 0.000 1.816 96 R CB -0.959 29.390 30.300 0.082 0.000 2.376 96 R HN 0.263 8.485 8.270 0.131 0.126 0.495 97 V N -3.543 116.465 119.914 0.156 0.000 2.407 97 V HA 0.471 nan 4.120 nan 0.000 0.291 97 V C -1.944 174.253 176.094 0.172 0.000 1.018 97 V CA -2.348 60.069 62.300 0.195 0.000 0.842 97 V CB 1.495 33.429 31.823 0.185 0.000 0.996 97 V HN -0.449 7.747 8.190 0.137 0.077 0.426 98 A N 9.287 132.219 122.820 0.187 0.000 2.413 98 A HA 0.793 nan 4.320 nan 0.000 0.307 98 A C -2.508 175.213 177.584 0.228 0.000 1.087 98 A CA -2.461 49.680 52.037 0.174 0.000 0.750 98 A CB 4.051 23.107 19.000 0.093 0.000 1.296 98 A HN 0.768 9.022 8.150 0.173 0.000 0.423 99 I N -1.105 119.609 120.570 0.241 0.000 2.957 99 I HA 0.900 nan 4.170 nan 0.000 0.310 99 I C -2.760 173.441 176.117 0.139 0.000 1.063 99 I CA -2.876 58.564 61.300 0.234 0.000 1.033 99 I CB 3.837 42.020 38.000 0.305 0.000 1.230 99 I HN 0.551 8.914 8.210 0.256 0.000 0.447 100 K N 1.030 121.488 120.400 0.097 0.000 2.562 100 K HA 0.582 nan 4.320 nan 0.000 0.267 100 K C -1.504 175.126 176.600 0.049 0.000 0.938 100 K CA -1.459 54.851 56.287 0.039 0.000 0.840 100 K CB 3.877 36.377 32.500 0.000 0.000 1.390 100 K HN 0.120 8.436 8.250 0.110 0.000 0.428 101 G N -0.006 108.822 108.800 0.047 0.000 2.582 101 G HA2 0.370 nan 3.960 nan 0.000 0.232 101 G HA3 0.370 nan 3.960 nan 0.000 0.232 101 G C -1.975 172.978 174.900 0.089 0.000 1.458 101 G CA -1.543 43.603 45.100 0.076 0.000 1.062 101 G HN -0.221 8.084 8.290 0.025 0.000 0.566 102 P HA 0.093 nan 4.420 nan 0.000 0.274 102 P C -1.622 175.723 177.300 0.074 0.000 1.256 102 P CA -0.179 62.990 63.100 0.116 0.000 0.795 102 P CB 0.751 32.532 31.700 0.136 0.000 1.038 103 L N -0.806 120.459 121.223 0.070 0.000 2.446 103 L HA 0.302 nan 4.340 nan 0.000 0.268 103 L C -0.445 176.478 176.870 0.087 0.000 0.975 103 L CA -0.392 54.495 54.840 0.077 0.000 0.848 103 L CB 2.470 44.567 42.059 0.064 0.000 1.225 103 L HN 0.106 8.378 8.230 0.070 0.000 0.410 104 T N 9.022 123.655 114.554 0.132 0.000 2.723 104 T HA 0.179 nan 4.350 nan 0.000 0.297 104 T C -0.146 174.669 174.700 0.191 0.000 0.925 104 T CA 0.186 62.376 62.100 0.151 0.000 1.030 104 T CB 0.343 69.337 68.868 0.210 0.000 0.905 104 T HN -0.157 8.366 8.240 0.146 -0.195 0.502 105 T N 8.788 123.363 114.554 0.035 0.000 2.882 105 T HA 0.383 nan 4.350 nan 0.000 0.287 105 T C -1.368 173.151 174.700 -0.301 0.000 1.014 105 T CA -2.280 59.755 62.100 -0.109 0.000 1.049 105 T CB 0.171 68.974 68.868 -0.109 0.000 1.001 105 T HN 0.078 8.325 8.240 0.011 0.000 0.525 106 P HA 0.215 nan 4.420 nan 0.000 0.312 106 P C -1.054 176.054 177.300 -0.319 0.000 1.308 106 P CA -0.604 62.166 63.100 -0.550 0.000 0.743 106 P CB 0.547 31.684 31.700 -0.939 0.000 1.364 107 V N -2.680 117.090 119.914 -0.239 0.000 2.914 107 V HA 0.215 nan 4.120 nan 0.000 0.314 107 V C 1.025 177.023 176.094 -0.160 0.000 1.084 107 V CA -0.470 61.731 62.300 -0.164 0.000 0.963 107 V CB 2.163 33.924 31.823 -0.102 0.000 1.025 107 V HN 0.096 8.151 8.190 -0.224 0.000 0.432 108 G N 6.342 115.067 108.800 -0.125 0.000 5.219 108 G HA2 -0.274 nan 3.960 nan 0.000 0.267 108 G HA3 -0.274 nan 3.960 nan 0.000 0.267 108 G C -0.146 174.689 174.900 -0.108 0.000 1.495 108 G CA 0.193 45.235 45.100 -0.096 0.000 0.988 108 G HN 0.259 8.479 8.290 -0.118 0.000 0.707 109 G N 5.567 114.284 108.800 -0.139 0.000 2.307 109 G HA2 -0.185 nan 3.960 nan 0.000 0.271 109 G HA3 -0.185 nan 3.960 nan 0.000 0.271 109 G C -0.074 174.709 174.900 -0.196 0.000 1.191 109 G CA -0.166 44.848 45.100 -0.144 0.000 1.024 109 G HN -0.340 7.856 8.290 -0.157 0.000 0.441 110 G N 2.917 111.639 108.800 -0.129 0.000 2.588 110 G HA2 -0.011 nan 3.960 nan 0.000 0.297 110 G HA3 -0.011 nan 3.960 nan 0.000 0.297 110 G C -1.034 173.785 174.900 -0.134 0.000 0.874 110 G CA -0.022 45.002 45.100 -0.126 0.000 1.607 110 G HN 0.005 8.240 8.290 -0.091 0.000 0.486 111 I N 2.638 123.097 120.570 -0.185 0.000 2.441 111 I HA 0.099 nan 4.170 nan 0.000 0.295 111 I C -1.634 174.406 176.117 -0.129 0.000 0.994 111 I CA -1.425 59.783 61.300 -0.153 0.000 1.144 111 I CB 2.284 40.148 38.000 -0.227 0.000 1.314 111 I HN -0.597 7.474 8.210 -0.232 0.000 0.445 112 R N 5.586 126.031 120.500 -0.091 0.000 2.387 112 R HA 0.241 nan 4.340 nan 0.000 0.314 112 R C -0.317 175.940 176.300 -0.072 0.000 0.958 112 R CA -0.898 55.148 56.100 -0.089 0.000 0.846 112 R CB 1.039 31.285 30.300 -0.090 0.000 1.147 112 R HN 0.012 8.239 8.270 -0.073 0.000 0.447 113 S N 3.573 119.226 115.700 -0.079 0.000 4.667 113 S HA -0.282 nan 4.470 nan 0.000 0.551 113 S C 1.309 175.888 174.600 -0.036 0.000 0.855 113 S CA 0.175 58.337 58.200 -0.064 0.000 1.181 113 S CB 0.344 63.498 63.200 -0.077 0.000 1.890 113 S HN 0.505 8.760 8.310 -0.093 0.000 0.374 114 L N 5.981 127.194 121.223 -0.017 0.000 2.353 114 L HA -0.380 nan 4.340 nan 0.000 0.220 114 L C 1.355 178.230 176.870 0.008 0.000 1.133 114 L CA 2.035 56.881 54.840 0.009 0.000 0.798 114 L CB -0.397 41.690 42.059 0.047 0.000 0.922 114 L HN -0.035 8.182 8.230 -0.022 0.000 0.445 115 N N -0.375 118.327 118.700 0.003 0.000 2.135 115 N HA -0.190 nan 4.740 nan 0.000 0.186 115 N C 1.675 177.185 175.510 0.001 0.000 1.027 115 N CA 3.017 56.070 53.050 0.004 0.000 0.849 115 N CB -0.357 38.135 38.487 0.009 0.000 1.002 115 N HN -0.528 7.827 8.380 -0.001 0.025 0.425 116 V N 0.751 120.665 119.914 -0.001 0.000 2.667 116 V HA -0.189 nan 4.120 nan 0.000 0.252 116 V C 1.051 177.146 176.094 0.001 0.000 1.065 116 V CA 2.402 64.707 62.300 0.008 0.000 1.083 116 V CB -0.835 30.992 31.823 0.007 0.000 0.692 116 V HN -0.577 7.606 8.190 -0.012 0.000 0.468 117 A N -0.420 122.396 122.820 -0.007 0.000 1.902 117 A HA -0.271 nan 4.320 nan 0.000 0.217 117 A C 1.871 179.454 177.584 -0.001 0.000 1.181 117 A CA 3.489 55.522 52.037 -0.007 0.000 0.623 117 A CB -0.686 18.309 19.000 -0.007 0.000 0.818 117 A HN 0.162 8.287 8.150 -0.011 0.018 0.443 118 L N -2.835 118.387 121.223 -0.002 0.000 2.049 118 L HA -0.357 nan 4.340 nan 0.000 0.203 118 L C 2.273 179.138 176.870 -0.007 0.000 1.074 118 L CA 2.947 57.784 54.840 -0.005 0.000 0.749 118 L CB -0.574 41.479 42.059 -0.010 0.000 0.907 118 L HN -0.749 7.480 8.230 -0.001 0.000 0.439 119 R N -2.378 118.116 120.500 -0.010 0.000 2.196 119 R HA -0.521 nan 4.340 nan 0.000 0.259 119 R C 2.285 178.590 176.300 0.009 0.000 1.154 119 R CA 3.830 59.925 56.100 -0.008 0.000 0.976 119 R CB -0.460 29.840 30.300 -0.002 0.000 0.888 119 R HN -0.323 7.940 8.270 -0.011 0.000 0.453 120 Q N -3.878 115.931 119.800 0.014 0.000 2.391 120 Q HA 0.035 nan 4.340 nan 0.000 0.211 120 Q C 2.941 178.951 176.000 0.017 0.000 0.908 120 Q CA 1.631 57.446 55.803 0.020 0.000 0.920 120 Q CB -0.179 28.570 28.738 0.018 0.000 1.056 120 Q HN -0.285 7.987 8.270 0.010 0.004 0.523 121 E N 1.637 121.843 120.200 0.011 0.000 2.208 121 E HA -0.187 nan 4.350 nan 0.000 0.193 121 E C 1.987 178.597 176.600 0.017 0.000 0.988 121 E CA 2.754 59.161 56.400 0.012 0.000 0.828 121 E CB 0.225 29.930 29.700 0.008 0.000 0.763 121 E HN -0.362 8.002 8.360 0.007 0.000 0.478 122 L N -3.718 117.514 121.223 0.016 0.000 2.492 122 L HA -0.162 nan 4.340 nan 0.000 0.223 122 L C -0.816 176.075 176.870 0.035 0.000 1.132 122 L CA 0.515 55.368 54.840 0.021 0.000 0.850 122 L CB 0.349 42.414 42.059 0.010 0.000 0.966 122 L HN -0.791 7.446 8.230 0.011 0.000 0.454 123 D N -1.976 118.450 120.400 0.042 0.000 2.828 123 D HA -0.271 nan 4.640 nan 0.000 0.241 123 D C -0.566 175.797 176.300 0.105 0.000 1.142 123 D CA 1.186 55.228 54.000 0.070 0.000 0.755 123 D CB -0.865 39.978 40.800 0.071 0.000 1.014 123 D HN -0.686 7.501 8.370 0.033 0.203 0.420 124 L N -0.576 120.685 121.223 0.064 0.000 2.353 124 L HA 0.184 nan 4.340 nan 0.000 0.269 124 L C 0.030 176.938 176.870 0.064 0.000 1.085 124 L CA -1.392 53.462 54.840 0.024 0.000 0.938 124 L CB -1.103 40.925 42.059 -0.051 0.000 1.312 124 L HN -0.089 8.168 8.230 0.044 0.000 0.429 125 Y N -0.646 119.660 120.300 0.010 0.000 2.165 125 Y HA -0.310 nan 4.550 nan 0.000 0.286 125 Y C -0.141 175.778 175.900 0.031 0.000 1.155 125 Y CA 1.313 59.428 58.100 0.025 0.000 1.164 125 Y CB -0.451 38.034 38.460 0.042 0.000 0.978 125 Y HN -0.445 8.016 8.280 0.301 0.000 0.513 126 I N -2.444 118.144 120.570 0.031 0.000 2.331 126 I HA 0.168 nan 4.170 nan 0.000 0.292 126 I C -1.488 174.592 176.117 -0.063 0.000 0.998 126 I CA -1.082 60.223 61.300 0.009 0.000 1.267 126 I CB 0.754 38.726 38.000 -0.046 0.000 1.386 126 I HN -0.664 7.462 8.210 -0.140 0.000 0.476 127 C N 9.176 128.441 119.300 -0.057 0.000 2.285 127 C HA 0.577 nan 4.460 nan 0.000 0.335 127 C C -1.592 173.284 174.990 -0.190 0.000 1.267 127 C CA -1.539 57.413 59.018 -0.109 0.000 1.762 127 C CB 0.075 27.773 27.740 -0.071 0.000 2.365 127 C HN 0.521 8.741 8.230 -0.017 0.000 0.527 128 L N 8.968 130.051 121.223 -0.233 0.000 2.295 128 L HA 0.529 nan 4.340 nan 0.000 0.281 128 L C -1.902 174.818 176.870 -0.251 0.000 1.018 128 L CA -0.889 53.734 54.840 -0.361 0.000 0.841 128 L CB 1.163 43.038 42.059 -0.307 0.000 1.218 128 L HN 0.958 8.965 8.230 -0.190 0.108 0.424 129 R N 6.627 126.965 120.500 -0.270 0.000 2.402 129 R HA 0.494 nan 4.340 nan 0.000 0.290 129 R C -2.327 173.893 176.300 -0.133 0.000 1.321 129 R CA -3.669 52.345 56.100 -0.144 0.000 1.283 129 R CB 0.525 30.769 30.300 -0.093 0.000 1.111 129 R HN 0.189 8.230 8.270 -0.382 0.000 0.578 130 P HA 0.207 nan 4.420 nan 0.000 0.276 130 P C -1.308 176.011 177.300 0.032 0.000 1.253 130 P CA -0.297 62.786 63.100 -0.028 0.000 0.766 130 P CB 0.068 31.769 31.700 0.001 0.000 0.845 131 V N 3.419 123.360 119.914 0.046 0.000 2.604 131 V HA 0.471 nan 4.120 nan 0.000 0.305 131 V C -1.477 174.667 176.094 0.083 0.000 1.043 131 V CA -1.348 60.999 62.300 0.078 0.000 0.888 131 V CB 1.591 33.457 31.823 0.071 0.000 0.995 131 V HN -0.129 8.084 8.190 0.038 0.000 0.429 132 R N 4.740 125.305 120.500 0.108 0.000 2.929 132 R HA 0.429 nan 4.340 nan 0.000 0.259 132 R C -2.256 174.136 176.300 0.153 0.000 1.141 132 R CA -0.500 55.651 56.100 0.084 0.000 0.991 132 R CB 2.887 33.197 30.300 0.018 0.000 1.287 132 R HN 0.089 8.448 8.270 0.147 0.000 0.450 133 Y N -0.465 119.775 120.300 -0.100 0.000 2.553 133 Y HA 0.324 nan 4.550 nan 0.000 0.347 133 Y C -1.627 174.098 175.900 -0.292 0.000 1.019 133 Y CA -1.486 56.569 58.100 -0.075 0.000 1.032 133 Y CB 2.883 41.326 38.460 -0.028 0.000 1.284 133 Y HN -0.218 8.082 8.280 0.035 0.000 0.466 134 Y N 3.209 123.135 120.300 -0.623 0.000 2.335 134 Y HA 0.179 nan 4.550 nan 0.000 0.339 134 Y C 0.245 175.544 175.900 -1.002 0.000 0.987 134 Y CA -0.828 56.934 58.100 -0.565 0.000 1.140 134 Y CB 0.851 39.090 38.460 -0.368 0.000 1.173 134 Y HN 0.600 8.369 8.280 -0.851 0.000 0.486 135 Q N 4.956 124.469 119.800 -0.478 0.000 2.658 135 Q HA -0.342 nan 4.340 nan 0.000 0.219 135 Q C 0.473 176.406 176.000 -0.112 0.000 0.966 135 Q CA 1.876 57.520 55.803 -0.265 0.000 0.988 135 Q CB -1.164 27.525 28.738 -0.081 0.000 0.999 135 Q HN 0.753 8.847 8.270 -0.293 0.000 0.591 136 G N -2.731 105.941 108.800 -0.214 0.000 3.988 136 G HA2 0.164 nan 3.960 nan 0.000 0.195 136 G HA3 0.164 nan 3.960 nan 0.000 0.195 136 G C -0.435 174.510 174.900 0.075 0.000 1.060 136 G CA 0.066 45.197 45.100 0.051 0.000 0.847 136 G HN -0.068 7.782 8.290 -0.613 0.072 0.515 137 T N 1.886 116.430 114.554 -0.018 0.000 2.734 137 T HA 0.207 nan 4.350 nan 0.000 0.314 137 T C -0.930 173.799 174.700 0.049 0.000 1.057 137 T CA -1.313 60.715 62.100 -0.120 0.000 1.047 137 T CB -1.287 67.371 68.868 -0.350 0.000 0.991 137 T HN -0.749 7.361 8.240 -0.218 0.000 0.540 138 P HA -0.344 nan 4.420 nan 0.000 0.063 138 P C -1.522 175.824 177.300 0.076 0.000 1.066 138 P CA 0.870 64.010 63.100 0.068 0.000 1.007 138 P CB -1.413 30.378 31.700 0.153 0.000 1.846 139 S N -0.269 115.467 115.700 0.061 0.000 2.457 139 S HA 0.072 nan 4.470 nan 0.000 0.294 139 S C -0.201 174.392 174.600 -0.013 0.000 1.201 139 S CA -1.186 57.007 58.200 -0.012 0.000 1.112 139 S CB 0.014 63.148 63.200 -0.111 0.000 1.018 139 S HN -0.364 7.945 8.310 0.079 0.049 0.511 140 P HA -0.212 nan 4.420 nan 0.000 0.217 140 P C -1.167 176.127 177.300 -0.010 0.000 1.148 140 P CA 1.013 64.108 63.100 -0.008 0.000 0.828 140 P CB 0.079 31.775 31.700 -0.007 0.000 0.783 141 V N -5.379 114.525 119.914 -0.017 0.000 2.644 141 V HA 0.304 nan 4.120 nan 0.000 0.295 141 V C 0.289 176.389 176.094 0.009 0.000 1.053 141 V CA -2.119 60.186 62.300 0.009 0.000 0.987 141 V CB 1.053 32.878 31.823 0.003 0.000 1.006 141 V HN -0.273 7.832 8.190 -0.034 0.064 0.472 142 K N 3.005 123.430 120.400 0.041 0.000 2.001 142 K HA -0.222 nan 4.320 nan 0.000 0.208 142 K C -0.249 176.380 176.600 0.048 0.000 1.048 142 K CA 1.897 58.184 56.287 0.000 0.000 0.932 142 K CB -0.030 32.410 32.500 -0.100 0.000 0.715 142 K HN 0.334 8.618 8.250 0.058 0.000 0.437 143 H N -4.171 114.857 119.070 -0.070 0.000 2.452 143 H HA 0.490 nan 4.556 nan 0.000 0.240 143 H C -1.298 173.963 175.328 -0.111 0.000 1.498 143 H CA -4.325 51.681 56.048 -0.070 0.000 1.142 143 H CB -0.475 29.263 29.762 -0.041 0.000 1.599 143 H HN -0.211 8.342 8.280 0.455 0.000 0.527 144 P HA -0.168 nan 4.420 nan 0.000 0.225 144 P C 0.728 177.849 177.300 -0.299 0.000 1.156 144 P CA 1.467 64.396 63.100 -0.284 0.000 0.787 144 P CB 0.087 31.479 31.700 -0.512 0.000 0.802 145 E N -0.993 119.088 120.200 -0.198 0.000 2.409 145 E HA -0.209 nan 4.350 nan 0.000 0.198 145 E C 0.771 177.359 176.600 -0.021 0.000 1.024 145 E CA 1.508 57.879 56.400 -0.049 0.000 0.861 145 E CB -2.116 27.605 29.700 0.035 0.000 0.788 145 E HN 0.430 8.626 8.360 -0.147 0.077 0.521 146 L N -1.409 119.774 121.223 -0.067 0.000 2.156 146 L HA -0.006 nan 4.340 nan 0.000 0.208 146 L C 0.776 177.623 176.870 -0.038 0.000 1.095 146 L CA 0.798 55.600 54.840 -0.064 0.000 0.770 146 L CB 0.083 42.059 42.059 -0.139 0.000 0.914 146 L HN -0.759 7.315 8.230 -0.110 0.091 0.439 147 T N 1.820 116.348 114.554 -0.044 0.000 2.776 147 T HA -0.022 nan 4.350 nan 0.000 0.292 147 T C -1.320 173.395 174.700 0.024 0.000 0.921 147 T CA 1.782 63.877 62.100 -0.008 0.000 1.038 147 T CB -0.313 68.539 68.868 -0.026 0.000 0.910 147 T HN -0.783 7.414 8.240 -0.073 0.000 0.536 148 D N 9.579 130.002 120.400 0.038 0.000 2.363 148 D HA 0.328 nan 4.640 nan 0.000 0.258 148 D C -1.826 174.514 176.300 0.067 0.000 1.259 148 D CA 0.003 54.031 54.000 0.047 0.000 0.921 148 D CB 1.059 41.879 40.800 0.033 0.000 1.201 148 D HN -0.077 8.316 8.370 0.040 0.000 0.524 149 M N 1.081 120.728 119.600 0.078 0.000 2.704 149 M HA 0.648 nan 4.480 nan 0.000 0.284 149 M C -2.084 174.259 176.300 0.071 0.000 1.275 149 M CA -1.219 54.140 55.300 0.099 0.000 0.811 149 M CB 5.192 37.872 32.600 0.134 0.000 1.741 149 M HN -0.146 8.186 8.290 0.069 0.000 0.458 150 V N -1.157 118.789 119.914 0.053 0.000 2.823 150 V HA 0.534 nan 4.120 nan 0.000 0.296 150 V C -2.760 173.257 176.094 -0.128 0.000 1.250 150 V CA -0.460 61.797 62.300 -0.073 0.000 0.939 150 V CB 3.344 35.087 31.823 -0.134 0.000 1.062 150 V HN 0.619 8.865 8.190 0.094 0.000 0.433 151 I N 9.009 129.441 120.570 -0.229 0.000 2.396 151 I HA 0.624 nan 4.170 nan 0.000 0.292 151 I C -1.336 174.467 176.117 -0.524 0.000 0.999 151 I CA -1.032 60.148 61.300 -0.200 0.000 1.310 151 I CB 2.288 40.238 38.000 -0.083 0.000 1.404 151 I HN 0.332 8.299 8.210 -0.218 0.112 0.496 152 F N 7.609 127.510 119.950 -0.082 0.000 2.434 152 F HA 0.434 nan 4.527 nan 0.000 0.355 152 F C -2.124 173.649 175.800 -0.044 0.000 1.115 152 F CA -1.483 56.473 58.000 -0.073 0.000 1.010 152 F CB 2.012 40.976 39.000 -0.060 0.000 1.234 152 F HN 0.674 9.047 8.300 0.121 0.000 0.439 153 R N 4.729 125.243 120.500 0.022 0.000 2.360 153 R HA 0.484 nan 4.340 nan 0.000 0.318 153 R C -1.524 174.780 176.300 0.007 0.000 0.950 153 R CA -1.738 54.348 56.100 -0.024 0.000 0.837 153 R CB 2.976 33.229 30.300 -0.078 0.000 1.165 153 R HN -0.032 8.219 8.270 -0.031 0.000 0.458 154 E N 7.038 127.244 120.200 0.010 0.000 2.366 154 E HA -0.192 nan 4.350 nan 0.000 0.266 154 E C -0.820 175.784 176.600 0.007 0.000 1.015 154 E CA 0.774 57.205 56.400 0.051 0.000 0.906 154 E CB 0.851 30.587 29.700 0.061 0.000 0.979 154 E HN 0.394 8.734 8.360 -0.034 0.000 0.443 155 N N 6.510 125.239 118.700 0.048 0.000 2.205 155 N HA 0.136 nan 4.740 nan 0.000 0.201 155 N C 0.149 175.684 175.510 0.042 0.000 1.128 155 N CA 0.541 53.612 53.050 0.035 0.000 0.867 155 N CB 0.640 39.151 38.487 0.040 0.000 0.996 155 N HN 0.405 8.842 8.380 0.095 0.000 0.503 156 S N -1.875 113.853 115.700 0.047 0.000 2.470 156 S HA 0.049 nan 4.470 nan 0.000 0.222 156 S C -0.262 174.357 174.600 0.031 0.000 1.024 156 S CA 1.172 59.397 58.200 0.042 0.000 0.931 156 S CB 0.841 64.069 63.200 0.048 0.000 0.791 156 S HN 0.231 8.574 8.310 0.055 0.000 0.513 157 E N -0.362 119.854 120.200 0.027 0.000 2.549 157 E HA 0.374 nan 4.350 nan 0.000 0.200 157 E C -1.518 175.082 176.600 0.001 0.000 0.732 157 E CA -1.851 54.563 56.400 0.024 0.000 0.987 157 E CB 2.511 32.237 29.700 0.043 0.000 1.810 157 E HN -0.921 7.401 8.360 0.022 0.051 0.377 158 D N -1.737 118.658 120.400 -0.008 0.000 4.808 158 D HA -0.233 nan 4.640 nan 0.000 0.304 158 D C 1.149 177.449 176.300 0.000 0.000 2.360 158 D CA 1.187 55.161 54.000 -0.044 0.000 1.222 158 D CB 0.140 40.847 40.800 -0.155 0.000 1.085 158 D HN 0.241 8.622 8.370 0.017 0.000 1.266 159 I N 0.766 121.335 120.570 -0.001 0.000 2.361 159 I HA -0.233 nan 4.170 nan 0.000 0.251 159 I C 1.046 177.264 176.117 0.169 0.000 1.133 159 I CA 2.171 63.512 61.300 0.068 0.000 1.413 159 I CB 0.322 38.363 38.000 0.068 0.000 1.073 159 I HN 0.500 8.680 8.210 -0.050 0.000 0.424 160 Y N -2.667 117.592 120.300 -0.069 0.000 2.688 160 Y HA -0.199 nan 4.550 nan 0.000 0.311 160 Y C 0.610 176.479 175.900 -0.053 0.000 1.185 160 Y CA -1.230 56.833 58.100 -0.063 0.000 1.336 160 Y CB -2.286 36.130 38.460 -0.073 0.000 1.015 160 Y HN -0.497 7.825 8.280 0.083 0.008 0.522 161 A N -2.260 120.622 122.820 0.102 0.000 2.014 161 A HA -0.075 nan 4.320 nan 0.000 0.218 161 A C 0.520 178.094 177.584 -0.016 0.000 1.163 161 A CA 0.496 52.552 52.037 0.032 0.000 0.652 161 A CB -0.075 18.936 19.000 0.018 0.000 0.808 161 A HN -0.937 7.166 8.150 0.098 0.106 0.449 162 G N -0.344 108.442 108.800 -0.022 0.000 2.325 162 G HA2 -0.327 nan 3.960 nan 0.000 0.274 162 G HA3 -0.327 nan 3.960 nan 0.000 0.274 162 G C -0.236 174.569 174.900 -0.159 0.000 0.921 162 G CA 0.744 45.797 45.100 -0.079 0.000 1.340 162 G HN -0.527 7.745 8.290 0.019 0.030 0.447 163 I N 3.806 124.265 120.570 -0.184 0.000 2.479 163 I HA 0.047 nan 4.170 nan 0.000 0.279 163 I C -1.699 174.135 176.117 -0.472 0.000 1.102 163 I CA -0.702 60.394 61.300 -0.339 0.000 1.196 163 I CB -0.303 37.591 38.000 -0.176 0.000 1.427 163 I HN -0.290 7.851 8.210 -0.114 0.000 0.503 164 E N 4.795 124.676 120.200 -0.533 0.000 2.266 164 E HA 0.571 nan 4.350 nan 0.000 0.268 164 E C -1.129 175.237 176.600 -0.390 0.000 0.879 164 E CA -1.696 54.505 56.400 -0.331 0.000 0.762 164 E CB 2.608 32.231 29.700 -0.129 0.000 1.199 164 E HN -0.490 7.542 8.360 -0.538 0.005 0.422 165 W N 1.439 122.748 121.300 0.015 0.000 2.702 165 W HA 0.246 nan 4.660 nan 0.000 0.331 165 W C -0.663 175.863 176.519 0.010 0.000 1.049 165 W CA -1.077 56.274 57.345 0.010 0.000 1.230 165 W CB 2.142 31.610 29.460 0.013 0.000 1.408 165 W HN 0.440 8.816 8.180 0.327 0.000 0.492 166 K N 1.846 122.355 120.400 0.182 0.000 2.326 166 K HA 0.002 nan 4.320 nan 0.000 0.275 166 K C -0.496 176.157 176.600 0.087 0.000 1.018 166 K CA -0.408 55.940 56.287 0.102 0.000 0.962 166 K CB 1.581 34.116 32.500 0.059 0.000 0.953 166 K HN 0.157 8.518 8.250 0.186 0.000 0.475 167 A N 4.657 127.519 122.820 0.070 0.000 2.488 167 A HA -0.095 nan 4.320 nan 0.000 0.249 167 A C -0.635 176.946 177.584 -0.004 0.000 1.083 167 A CA 1.099 53.169 52.037 0.055 0.000 0.768 167 A CB -0.163 18.886 19.000 0.082 0.000 1.017 167 A HN 0.248 8.440 8.150 0.069 0.000 0.496 168 D N -0.446 119.930 120.400 -0.040 0.000 3.044 168 D HA -0.296 nan 4.640 nan 0.000 0.206 168 D C -0.828 175.438 176.300 -0.057 0.000 1.053 168 D CA 0.906 54.834 54.000 -0.120 0.000 0.990 168 D CB -0.630 40.035 40.800 -0.226 0.000 1.078 168 D HN 0.657 9.025 8.370 -0.003 0.000 0.433 169 S N -0.932 114.761 115.700 -0.011 0.000 2.687 169 S HA 0.223 nan 4.470 nan 0.000 0.283 169 S C 1.029 175.623 174.600 -0.010 0.000 1.170 169 S CA -0.333 57.870 58.200 0.005 0.000 1.008 169 S CB 2.534 65.765 63.200 0.052 0.000 1.026 169 S HN -0.472 7.800 8.310 0.009 0.045 0.541 170 A N 2.390 125.205 122.820 -0.007 0.000 1.892 170 A HA -0.238 nan 4.320 nan 0.000 0.218 170 A C 1.830 179.372 177.584 -0.069 0.000 1.188 170 A CA 3.008 55.029 52.037 -0.027 0.000 0.631 170 A CB -0.419 18.575 19.000 -0.010 0.000 0.822 170 A HN 0.648 8.802 8.150 0.008 0.000 0.447 171 D N -2.927 117.420 120.400 -0.089 0.000 2.323 171 D HA -0.077 nan 4.640 nan 0.000 0.209 171 D C 1.232 177.253 176.300 -0.466 0.000 0.973 171 D CA 2.406 56.248 54.000 -0.262 0.000 0.874 171 D CB 0.054 40.725 40.800 -0.215 0.000 0.930 171 D HN 0.128 8.459 8.370 -0.022 0.027 0.521 172 A N 0.028 122.698 122.820 -0.250 0.000 1.975 172 A HA -0.084 nan 4.320 nan 0.000 0.215 172 A C 1.757 179.262 177.584 -0.132 0.000 1.170 172 A CA 2.555 54.477 52.037 -0.190 0.000 0.656 172 A CB -0.329 18.656 19.000 -0.026 0.000 0.821 172 A HN -0.638 7.440 8.150 -0.121 0.000 0.449 173 E N -1.240 118.900 120.200 -0.099 0.000 2.085 173 E HA -0.402 nan 4.350 nan 0.000 0.194 173 E C 2.429 178.980 176.600 -0.082 0.000 0.994 173 E CA 3.240 59.599 56.400 -0.069 0.000 0.801 173 E CB -0.475 29.192 29.700 -0.054 0.000 0.743 173 E HN -0.491 7.815 8.360 -0.090 0.000 0.453 174 K N -0.794 119.527 120.400 -0.131 0.000 2.057 174 K HA -0.192 nan 4.320 nan 0.000 0.206 174 K C 2.729 179.242 176.600 -0.145 0.000 1.050 174 K CA 2.959 59.163 56.287 -0.138 0.000 0.935 174 K CB 0.095 32.486 32.500 -0.182 0.000 0.715 174 K HN -0.710 7.448 8.250 -0.154 0.000 0.439 175 V N -0.026 119.747 119.914 -0.236 0.000 2.323 175 V HA -0.312 nan 4.120 nan 0.000 0.244 175 V C 1.927 178.030 176.094 0.013 0.000 1.041 175 V CA 3.989 66.191 62.300 -0.163 0.000 1.025 175 V CB -0.289 31.317 31.823 -0.361 0.000 0.656 175 V HN -0.639 7.348 8.190 -0.338 0.000 0.451 176 I N -1.536 119.023 120.570 -0.018 0.000 2.286 176 I HA -0.558 nan 4.170 nan 0.000 0.248 176 I C 1.786 177.918 176.117 0.025 0.000 1.115 176 I CA 4.181 65.491 61.300 0.016 0.000 1.392 176 I CB -0.621 37.383 38.000 0.007 0.000 1.065 176 I HN 0.181 8.350 8.210 -0.067 0.000 0.418 177 K N -1.431 118.985 120.400 0.026 0.000 2.211 177 K HA -0.252 nan 4.320 nan 0.000 0.203 177 K C 2.190 178.832 176.600 0.070 0.000 1.050 177 K CA 1.885 58.190 56.287 0.030 0.000 0.945 177 K CB -0.877 31.635 32.500 0.019 0.000 0.732 177 K HN -0.629 7.625 8.250 0.007 0.000 0.451 178 F N 2.068 121.990 119.950 -0.046 0.000 2.102 178 F HA -0.300 nan 4.527 nan 0.000 0.298 178 F C 1.345 177.134 175.800 -0.018 0.000 1.105 178 F CA 3.011 60.990 58.000 -0.035 0.000 1.239 178 F CB -0.036 38.936 39.000 -0.047 0.000 0.991 178 F HN -0.618 7.672 8.300 0.197 0.128 0.474 179 L N -2.394 118.747 121.223 -0.137 0.000 1.976 179 L HA -0.387 nan 4.340 nan 0.000 0.209 179 L C 2.798 179.574 176.870 -0.157 0.000 1.071 179 L CA 2.718 57.424 54.840 -0.224 0.000 0.746 179 L CB -1.725 40.293 42.059 -0.067 0.000 0.890 179 L HN -0.511 7.758 8.230 0.067 0.000 0.432 180 R N -0.508 119.948 120.500 -0.074 0.000 2.088 180 R HA -0.407 nan 4.340 nan 0.000 0.232 180 R C 2.784 179.046 176.300 -0.063 0.000 1.136 180 R CA 3.703 59.771 56.100 -0.053 0.000 0.926 180 R CB -0.011 30.273 30.300 -0.027 0.000 0.837 180 R HN -0.185 8.060 8.270 -0.042 0.000 0.429 181 E N -2.628 117.542 120.200 -0.049 0.000 2.076 181 E HA -0.200 nan 4.350 nan 0.000 0.190 181 E C 2.085 178.650 176.600 -0.059 0.000 0.979 181 E CA 2.409 58.787 56.400 -0.037 0.000 0.807 181 E CB 0.188 29.885 29.700 -0.004 0.000 0.761 181 E HN 0.043 8.285 8.360 -0.033 0.098 0.454 182 E N -3.102 117.034 120.200 -0.107 0.000 2.389 182 E HA -0.001 nan 4.350 nan 0.000 0.199 182 E C 0.857 177.285 176.600 -0.286 0.000 0.978 182 E CA 1.106 57.423 56.400 -0.138 0.000 0.912 182 E CB 0.951 30.645 29.700 -0.010 0.000 0.907 182 E HN -0.308 7.870 8.360 -0.128 0.106 0.494 183 M N -2.827 116.533 119.600 -0.400 0.000 2.333 183 M HA 0.252 nan 4.480 nan 0.000 0.257 183 M C 0.888 177.080 176.300 -0.180 0.000 1.078 183 M CA -0.777 54.310 55.300 -0.354 0.000 1.005 183 M CB 0.830 33.135 32.600 -0.493 0.000 1.444 183 M HN -0.004 7.958 8.290 -0.386 0.096 0.496 184 G N -1.174 107.545 108.800 -0.134 0.000 2.273 184 G HA2 -0.311 nan 3.960 nan 0.000 0.280 184 G HA3 -0.311 nan 3.960 nan 0.000 0.280 184 G C -0.931 173.933 174.900 -0.060 0.000 1.047 184 G CA 0.456 45.510 45.100 -0.076 0.000 0.869 184 G HN -0.375 7.826 8.290 -0.148 0.000 0.502 185 V N -1.679 118.195 119.914 -0.068 0.000 2.398 185 V HA 0.149 nan 4.120 nan 0.000 0.286 185 V C -0.343 175.737 176.094 -0.023 0.000 1.026 185 V CA -0.504 61.772 62.300 -0.040 0.000 0.868 185 V CB 1.754 33.550 31.823 -0.045 0.000 0.982 185 V HN -0.362 7.672 8.190 -0.090 0.103 0.443 186 K N 7.274 127.668 120.400 -0.011 0.000 2.443 186 K HA 0.355 nan 4.320 nan 0.000 0.284 186 K C 0.267 176.872 176.600 0.008 0.000 0.992 186 K CA -0.848 55.438 56.287 -0.002 0.000 1.292 186 K CB 0.968 33.467 32.500 -0.001 0.000 1.705 186 K HN 0.106 8.350 8.250 -0.010 0.000 0.778 187 K N -4.485 115.924 120.400 0.014 0.000 3.557 187 K HA -0.394 nan 4.320 nan 0.000 0.292 187 K C -0.853 175.766 176.600 0.032 0.000 1.167 187 K CA 1.543 57.843 56.287 0.021 0.000 1.048 187 K CB -0.721 31.789 32.500 0.017 0.000 1.368 187 K HN 0.248 8.506 8.250 0.013 0.000 0.425 188 I N 1.090 121.681 120.570 0.035 0.000 2.556 188 I HA -0.227 nan 4.170 nan 0.000 0.284 188 I C -0.252 175.902 176.117 0.061 0.000 1.114 188 I CA 0.976 62.307 61.300 0.051 0.000 1.418 188 I CB 0.094 38.124 38.000 0.049 0.000 1.394 188 I HN -0.229 7.908 8.210 0.026 0.089 0.552 189 R N 6.483 127.037 120.500 0.089 0.000 2.087 189 R HA 0.000 nan 4.340 nan 0.000 0.216 189 R C -0.297 176.109 176.300 0.178 0.000 1.114 189 R CA 1.211 57.378 56.100 0.112 0.000 1.002 189 R CB 0.925 31.291 30.300 0.111 0.000 0.903 189 R HN 0.338 8.663 8.270 0.091 0.000 0.445 190 F N 0.335 120.294 119.950 0.016 0.000 2.371 190 F HA 0.445 nan 4.527 nan 0.000 0.343 190 F C -1.497 174.320 175.800 0.029 0.000 1.150 190 F CA -3.169 54.840 58.000 0.016 0.000 1.220 190 F CB 0.169 39.174 39.000 0.009 0.000 1.475 190 F HN -0.258 8.196 8.300 0.256 0.000 0.521 191 P HA -0.240 nan 4.420 nan 0.000 0.225 191 P C 0.917 178.241 177.300 0.039 0.000 1.141 191 P CA 0.904 64.030 63.100 0.043 0.000 0.774 191 P CB 0.061 31.762 31.700 0.002 0.000 0.760 192 E N 0.304 120.502 120.200 -0.004 0.000 2.266 192 E HA -0.009 4.341 4.350 0.000 0.000 0.277 192 E C -0.843 175.918 176.600 0.269 0.000 1.018 192 E CA -0.293 56.137 56.400 0.049 0.000 0.840 192 E CB 0.506 30.114 29.700 -0.154 0.000 1.082 192 E HN -0.206 nan 8.360 nan 0.000 0.395 193 H N -1.986 117.128 119.070 0.073 0.000 2.822 193 H HA -0.288 nan 4.556 nan 0.000 0.295 193 H C -1.156 174.246 175.328 0.123 0.000 1.151 193 H CA 0.670 56.780 56.048 0.105 0.000 1.151 193 H CB -2.594 27.254 29.762 0.144 0.000 1.343 193 H HN 0.376 8.781 8.280 0.208 0.000 0.382 194 C N -0.306 119.109 119.300 0.192 0.000 2.405 194 C HA 0.168 nan 4.460 nan 0.000 0.365 194 C C -0.943 174.118 174.990 0.119 0.000 1.233 194 C CA -0.462 58.649 59.018 0.155 0.000 2.230 194 C CB 1.490 29.310 27.740 0.134 0.000 2.443 194 C HN -0.418 7.886 8.230 0.159 0.022 0.556 195 G N 4.092 112.962 108.800 0.117 0.000 2.478 195 G HA2 0.581 nan 3.960 nan 0.000 0.317 195 G HA3 0.581 nan 3.960 nan 0.000 0.317 195 G C -1.609 173.373 174.900 0.137 0.000 1.259 195 G CA -0.575 44.599 45.100 0.122 0.000 0.933 195 G HN 0.027 8.387 8.290 0.116 0.000 0.478 196 I N 3.742 124.425 120.570 0.189 0.000 2.509 196 I HA 0.210 nan 4.170 nan 0.000 0.293 196 I C -1.211 175.062 176.117 0.260 0.000 1.020 196 I CA -0.580 60.846 61.300 0.210 0.000 1.088 196 I CB 3.444 41.563 38.000 0.199 0.000 1.267 196 I HN -0.326 8.023 8.210 0.231 0.000 0.430 197 G N 3.876 112.785 108.800 0.182 0.000 2.542 197 G HA2 0.632 nan 3.960 nan 0.000 0.311 197 G HA3 0.632 nan 3.960 nan 0.000 0.311 197 G C -1.236 173.746 174.900 0.137 0.000 1.298 197 G CA -0.983 44.196 45.100 0.133 0.000 0.973 197 G HN 0.100 8.483 8.290 0.154 0.000 0.487 198 I N 2.294 122.931 120.570 0.112 0.000 2.331 198 I HA 0.065 nan 4.170 nan 0.000 0.292 198 I C -0.968 175.192 176.117 0.072 0.000 0.998 198 I CA -1.378 59.989 61.300 0.112 0.000 1.267 198 I CB 1.115 39.188 38.000 0.123 0.000 1.386 198 I HN -0.090 8.156 8.210 0.060 0.000 0.476 199 K N 7.599 128.046 120.400 0.079 0.000 2.425 199 K HA 0.365 nan 4.320 nan 0.000 0.259 199 K C -2.287 174.361 176.600 0.079 0.000 0.978 199 K CA -3.339 52.985 56.287 0.062 0.000 0.883 199 K CB 1.840 34.370 32.500 0.048 0.000 1.110 199 K HN 0.208 8.515 8.250 0.095 0.000 0.436 200 P HA 0.256 nan 4.420 nan 0.000 0.296 200 P C -2.325 175.039 177.300 0.106 0.000 1.310 200 P CA -0.855 62.303 63.100 0.097 0.000 0.900 200 P CB 1.818 33.569 31.700 0.085 0.000 1.111 201 C N 1.317 120.715 119.300 0.164 0.000 2.607 201 C HA 0.356 nan 4.460 nan 0.000 0.350 201 C C -1.354 173.843 174.990 0.344 0.000 1.101 201 C CA -1.575 57.589 59.018 0.243 0.000 1.282 201 C CB 0.706 28.601 27.740 0.258 0.000 1.825 201 C HN 0.321 8.657 8.230 0.176 0.000 0.460 202 S N 7.766 123.632 115.700 0.277 0.000 2.806 202 S HA 0.412 nan 4.470 nan 0.000 0.315 202 S C -0.144 174.298 174.600 -0.263 0.000 1.127 202 S CA -1.206 57.052 58.200 0.097 0.000 0.918 202 S CB 2.336 65.524 63.200 -0.020 0.000 1.240 202 S HN 0.055 8.888 8.310 0.212 -0.396 0.552 203 E N 1.109 120.825 120.200 -0.807 0.000 2.004 203 E HA -0.240 nan 4.350 nan 0.000 0.192 203 E C 1.903 178.207 176.600 -0.494 0.000 0.987 203 E CA 3.485 59.223 56.400 -1.103 0.000 0.822 203 E CB -0.082 28.975 29.700 -1.072 0.000 0.779 203 E HN 0.619 8.600 8.360 -0.632 0.000 0.458 204 E N -2.372 117.636 120.200 -0.320 0.000 2.516 204 E HA -0.104 nan 4.350 nan 0.000 0.199 204 E C 1.810 178.311 176.600 -0.165 0.000 1.069 204 E CA 1.959 58.233 56.400 -0.210 0.000 0.876 204 E CB -0.917 28.677 29.700 -0.175 0.000 0.843 204 E HN 0.509 8.683 8.360 -0.310 0.000 0.530 205 G N -0.190 108.532 108.800 -0.129 0.000 2.408 205 G HA2 -0.174 nan 3.960 nan 0.000 0.213 205 G HA3 -0.174 nan 3.960 nan 0.000 0.213 205 G C 0.945 175.876 174.900 0.052 0.000 1.177 205 G CA 1.417 46.489 45.100 -0.045 0.000 0.802 205 G HN 0.054 8.180 8.290 -0.169 0.062 0.533 206 T N 0.046 114.683 114.554 0.139 0.000 2.951 206 T HA -0.161 nan 4.350 nan 0.000 0.268 206 T C 2.180 176.918 174.700 0.064 0.000 1.073 206 T CA 3.361 65.617 62.100 0.259 0.000 1.134 206 T CB -0.518 68.614 68.868 0.441 0.000 0.884 206 T HN 0.054 8.252 8.240 0.102 0.104 0.479 207 K N 2.016 122.406 120.400 -0.016 0.000 2.076 207 K HA -0.115 nan 4.320 nan 0.000 0.204 207 K C 2.134 178.712 176.600 -0.037 0.000 1.051 207 K CA 3.541 59.803 56.287 -0.041 0.000 0.949 207 K CB 0.181 32.636 32.500 -0.075 0.000 0.726 207 K HN 0.246 8.463 8.250 -0.055 0.000 0.443 208 R N -0.663 119.779 120.500 -0.097 0.000 2.148 208 R HA -0.252 nan 4.340 nan 0.000 0.227 208 R C 2.052 178.352 176.300 -0.000 0.000 1.103 208 R CA 2.789 58.797 56.100 -0.155 0.000 0.983 208 R CB -0.615 29.400 30.300 -0.475 0.000 0.874 208 R HN 0.006 8.066 8.270 -0.130 0.132 0.451 209 L N 0.152 121.415 121.223 0.067 0.000 1.988 209 L HA -0.274 nan 4.340 nan 0.000 0.207 209 L C 1.532 178.460 176.870 0.098 0.000 1.071 209 L CA 3.260 58.218 54.840 0.197 0.000 0.744 209 L CB 0.147 42.357 42.059 0.251 0.000 0.893 209 L HN -0.746 7.492 8.230 0.016 0.002 0.433 210 V N -1.913 118.005 119.914 0.007 0.000 2.667 210 V HA -0.441 nan 4.120 nan 0.000 0.252 210 V C 1.993 177.996 176.094 -0.152 0.000 1.065 210 V CA 3.377 65.610 62.300 -0.111 0.000 1.083 210 V CB -1.240 30.471 31.823 -0.187 0.000 0.692 210 V HN -0.015 8.072 8.190 0.006 0.106 0.468 211 R N 0.522 121.001 120.500 -0.036 0.000 2.103 211 R HA -0.473 nan 4.340 nan 0.000 0.234 211 R C 1.518 177.822 176.300 0.007 0.000 1.132 211 R CA 3.918 60.052 56.100 0.057 0.000 0.925 211 R CB -0.147 30.250 30.300 0.161 0.000 0.842 211 R HN 0.532 8.671 8.270 0.002 0.133 0.430 212 A N -3.678 119.189 122.820 0.079 0.000 2.125 212 A HA -0.150 nan 4.320 nan 0.000 0.219 212 A C 1.799 179.248 177.584 -0.225 0.000 1.156 212 A CA 2.397 54.468 52.037 0.056 0.000 0.671 212 A CB -0.909 18.220 19.000 0.215 0.000 0.794 212 A HN -0.421 7.822 8.150 0.156 0.000 0.459 213 A N -0.900 121.600 122.820 -0.534 0.000 1.874 213 A HA -0.204 nan 4.320 nan 0.000 0.214 213 A C 1.985 179.185 177.584 -0.639 0.000 1.189 213 A CA 2.481 53.803 52.037 -1.192 0.000 0.615 213 A CB -0.414 18.024 19.000 -0.936 0.000 0.830 213 A HN -0.649 7.136 8.150 -0.344 0.158 0.443 214 I N -0.808 119.486 120.570 -0.460 0.000 2.141 214 I HA -0.596 nan 4.170 nan 0.000 0.236 214 I C 1.716 177.662 176.117 -0.284 0.000 1.071 214 I CA 4.562 65.604 61.300 -0.431 0.000 1.345 214 I CB -0.089 37.461 38.000 -0.749 0.000 1.066 214 I HN -0.317 7.614 8.210 -0.465 0.000 0.406 215 E N -1.623 118.489 120.200 -0.148 0.000 2.370 215 E HA -0.455 nan 4.350 nan 0.000 0.205 215 E C 2.579 179.224 176.600 0.074 0.000 1.037 215 E CA 2.905 59.349 56.400 0.073 0.000 0.845 215 E CB -0.429 29.370 29.700 0.166 0.000 0.753 215 E HN 0.061 8.306 8.360 -0.192 0.000 0.507 216 Y N -0.565 119.679 120.300 -0.093 0.000 2.389 216 Y HA -0.155 nan 4.550 nan 0.000 0.292 216 Y C 0.321 176.210 175.900 -0.018 0.000 1.117 216 Y CA 2.214 60.307 58.100 -0.011 0.000 1.195 216 Y CB 0.428 38.930 38.460 0.070 0.000 1.076 216 Y HN -0.570 7.578 8.280 0.001 0.133 0.548 217 A N 0.713 123.600 122.820 0.112 0.000 1.940 217 A HA -0.362 nan 4.320 nan 0.000 0.219 217 A C 1.867 179.456 177.584 0.009 0.000 1.176 217 A CA 3.160 55.244 52.037 0.078 0.000 0.631 217 A CB -0.980 18.015 19.000 -0.008 0.000 0.814 217 A HN 0.069 8.034 8.150 -0.004 0.182 0.446 218 I N -2.303 118.260 120.570 -0.011 0.000 2.110 218 I HA -0.480 nan 4.170 nan 0.000 0.236 218 I C 2.222 178.324 176.117 -0.026 0.000 1.068 218 I CA 3.956 65.255 61.300 -0.002 0.000 1.333 218 I CB -0.259 37.764 38.000 0.039 0.000 1.054 218 I HN -0.521 7.677 8.210 -0.020 0.000 0.402 219 A N -1.765 121.029 122.820 -0.044 0.000 2.131 219 A HA -0.238 nan 4.320 nan 0.000 0.220 219 A C 0.932 178.426 177.584 -0.150 0.000 1.158 219 A CA 2.570 54.559 52.037 -0.080 0.000 0.665 219 A CB -0.633 18.321 19.000 -0.076 0.000 0.795 219 A HN -0.349 7.789 8.150 -0.020 0.000 0.460 220 N N -5.143 113.433 118.700 -0.206 0.000 2.159 220 N HA 0.130 nan 4.740 nan 0.000 0.217 220 N C -1.406 174.055 175.510 -0.080 0.000 1.223 220 N CA -0.334 52.589 53.050 -0.211 0.000 0.896 220 N CB 2.080 40.289 38.487 -0.463 0.000 1.064 220 N HN -0.733 7.490 8.380 -0.179 0.049 0.518 221 D N -0.377 119.996 120.400 -0.045 0.000 2.737 221 D HA -0.361 nan 4.640 nan 0.000 0.238 221 D C -0.863 175.443 176.300 0.010 0.000 1.157 221 D CA 1.495 55.488 54.000 -0.012 0.000 0.694 221 D CB -0.491 40.302 40.800 -0.012 0.000 1.021 221 D HN -0.458 7.770 8.370 -0.055 0.109 0.420 222 R N -2.727 117.791 120.500 0.030 0.000 2.700 222 R HA 0.260 nan 4.340 nan 0.000 0.253 222 R C -0.644 175.673 176.300 0.029 0.000 1.091 222 R CA -2.008 54.131 56.100 0.065 0.000 1.104 222 R CB 1.337 31.731 30.300 0.157 0.000 1.202 222 R HN 0.019 8.195 8.270 0.022 0.108 0.532 223 D N -1.404 119.007 120.400 0.018 0.000 2.473 223 D HA 0.280 nan 4.640 nan 0.000 0.230 223 D C -0.839 175.425 176.300 -0.060 0.000 1.097 223 D CA 1.073 55.059 54.000 -0.023 0.000 0.861 223 D CB 1.673 42.453 40.800 -0.034 0.000 1.114 223 D HN -0.099 8.705 8.370 0.037 -0.412 0.500 224 S N -1.786 113.879 115.700 -0.057 0.000 2.599 224 S HA 0.692 nan 4.470 nan 0.000 0.287 224 S C -1.465 173.093 174.600 -0.069 0.000 1.105 224 S CA -0.844 57.294 58.200 -0.104 0.000 0.899 224 S CB 3.394 66.510 63.200 -0.140 0.000 1.100 224 S HN -0.777 7.729 8.310 -0.018 -0.207 0.482 225 V N 2.891 122.746 119.914 -0.098 0.000 2.349 225 V HA 0.377 nan 4.120 nan 0.000 0.284 225 V C -1.490 174.541 176.094 -0.107 0.000 1.014 225 V CA -0.622 61.621 62.300 -0.096 0.000 0.826 225 V CB 1.925 33.655 31.823 -0.155 0.000 1.009 225 V HN 1.018 9.034 8.190 -0.126 0.099 0.431 226 T N 10.231 124.751 114.554 -0.056 0.000 2.743 226 T HA 0.597 nan 4.350 nan 0.000 0.292 226 T C -0.648 173.985 174.700 -0.110 0.000 0.972 226 T CA -1.191 60.871 62.100 -0.063 0.000 0.967 226 T CB 0.217 69.126 68.868 0.068 0.000 0.926 226 T HN 0.993 9.130 8.240 -0.010 0.096 0.459 227 L N 7.908 129.044 121.223 -0.146 0.000 2.363 227 L HA 0.341 nan 4.340 nan 0.000 0.286 227 L C -1.115 175.768 176.870 0.023 0.000 1.106 227 L CA -0.030 54.757 54.840 -0.089 0.000 0.859 227 L CB -0.542 41.308 42.059 -0.348 0.000 1.223 227 L HN 0.939 8.964 8.230 -0.199 0.086 0.446 228 V N 4.890 124.803 119.914 -0.001 0.000 2.407 228 V HA 0.450 nan 4.120 nan 0.000 0.278 228 V C -1.681 174.448 176.094 0.058 0.000 1.037 228 V CA -1.014 61.252 62.300 -0.057 0.000 0.900 228 V CB -0.010 31.581 31.823 -0.387 0.000 0.983 228 V HN 0.608 8.801 8.190 0.006 0.000 0.459 229 H N 4.112 123.140 119.070 -0.071 0.000 3.038 229 H HA 0.415 nan 4.556 nan 0.000 0.362 229 H C -1.798 173.515 175.328 -0.024 0.000 1.167 229 H CA -1.788 54.236 56.048 -0.041 0.000 1.197 229 H CB 3.547 33.362 29.762 0.089 0.000 1.840 229 H HN 0.233 8.522 8.280 0.014 0.000 0.540 230 K N 4.839 125.119 120.400 -0.200 0.000 2.997 230 K HA 0.139 nan 4.320 nan 0.000 0.249 230 K C -1.016 175.497 176.600 -0.146 0.000 1.284 230 K CA -2.820 53.345 56.287 -0.204 0.000 1.245 230 K CB -1.426 31.011 32.500 -0.105 0.000 1.670 230 K HN -0.023 8.344 8.250 -0.114 -0.185 0.385 231 G N 0.239 108.947 108.800 -0.154 0.000 4.190 231 G HA2 0.303 nan 3.960 nan 0.000 0.328 231 G HA3 0.303 nan 3.960 nan 0.000 0.328 231 G C -1.812 173.149 174.900 0.101 0.000 1.364 231 G CA -0.878 44.294 45.100 0.119 0.000 1.259 231 G HN -0.478 7.430 8.290 -0.580 0.034 0.525 232 N N 2.334 121.023 118.700 -0.018 0.000 1.893 232 N HA 0.097 nan 4.740 nan 0.000 0.232 232 N C -1.103 174.368 175.510 -0.066 0.000 1.392 232 N CA 0.743 53.773 53.050 -0.032 0.000 0.801 232 N CB 1.134 39.605 38.487 -0.026 0.000 1.084 232 N HN -0.257 8.010 8.380 -0.051 0.083 0.479 233 I N -0.689 119.833 120.570 -0.079 0.000 4.338 233 I HA 0.015 nan 4.170 nan 0.000 0.315 233 I C -0.220 175.829 176.117 -0.114 0.000 1.262 233 I CA 1.095 62.343 61.300 -0.086 0.000 1.298 233 I CB 1.950 39.916 38.000 -0.058 0.000 1.257 233 I HN -0.849 7.317 8.210 -0.074 0.000 0.444 234 M N -0.186 119.352 119.600 -0.103 0.000 2.741 234 M HA 0.217 nan 4.480 nan 0.000 0.283 234 M C -1.119 175.101 176.300 -0.133 0.000 1.176 234 M CA -1.107 54.127 55.300 -0.110 0.000 1.139 234 M CB -0.788 31.782 32.600 -0.050 0.000 1.234 234 M HN -0.577 7.665 8.290 -0.079 0.000 0.497 235 K N 1.583 121.805 120.400 -0.297 0.000 2.418 235 K HA -0.168 nan 4.320 nan 0.000 0.195 235 K C -0.882 175.649 176.600 -0.115 0.000 1.035 235 K CA 1.426 57.554 56.287 -0.265 0.000 1.003 235 K CB 0.363 32.661 32.500 -0.337 0.000 0.793 235 K HN 0.114 8.107 8.250 -0.428 0.000 0.494 236 F N -5.375 114.562 119.950 -0.022 0.000 2.456 236 F HA 0.165 nan 4.527 nan 0.000 0.364 236 F C 1.084 176.872 175.800 -0.020 0.000 1.092 236 F CA -2.210 55.759 58.000 -0.052 0.000 1.125 236 F CB 1.481 40.473 39.000 -0.014 0.000 1.543 236 F HN -0.834 7.132 8.300 -0.482 0.045 0.504 237 T N -3.480 111.186 114.554 0.186 0.000 12.865 237 T HA -0.591 nan 4.350 nan 0.000 0.419 237 T C 2.167 176.936 174.700 0.116 0.000 1.441 237 T CA 3.121 65.301 62.100 0.134 0.000 2.371 237 T CB -1.391 67.533 68.868 0.093 0.000 2.828 237 T HN 0.480 8.854 8.240 0.223 0.000 0.716 238 E N 3.182 123.430 120.200 0.079 0.000 2.250 238 E HA -0.032 nan 4.350 nan 0.000 0.192 238 E C 2.286 179.013 176.600 0.212 0.000 0.986 238 E CA 2.150 58.622 56.400 0.120 0.000 0.849 238 E CB -0.010 29.713 29.700 0.039 0.000 0.797 238 E HN 0.102 8.489 8.360 0.046 0.000 0.482 239 G N -0.826 108.048 108.800 0.123 0.000 2.396 239 G HA2 -0.170 nan 3.960 nan 0.000 0.214 239 G HA3 -0.170 nan 3.960 nan 0.000 0.214 239 G C 0.831 175.719 174.900 -0.020 0.000 1.166 239 G CA 1.804 46.965 45.100 0.101 0.000 0.793 239 G HN -0.347 7.984 8.290 0.068 0.000 0.533 240 A N 2.550 125.311 122.820 -0.098 0.000 1.908 240 A HA -0.170 nan 4.320 nan 0.000 0.218 240 A C 1.331 178.586 177.584 -0.548 0.000 1.181 240 A CA 2.519 54.266 52.037 -0.484 0.000 0.627 240 A CB -0.768 17.891 19.000 -0.568 0.000 0.818 240 A HN -0.728 7.237 8.150 -0.002 0.184 0.445 241 F N -0.544 119.274 119.950 -0.221 0.000 2.069 241 F HA -0.434 nan 4.527 nan 0.000 0.298 241 F C 1.260 177.023 175.800 -0.063 0.000 1.113 241 F CA 3.665 61.660 58.000 -0.009 0.000 1.214 241 F CB 0.269 39.283 39.000 0.024 0.000 0.978 241 F HN -0.020 8.357 8.300 0.128 0.000 0.474 242 K N -1.325 118.991 120.400 -0.139 0.000 2.148 242 K HA -0.367 nan 4.320 nan 0.000 0.204 242 K C 2.199 178.683 176.600 -0.194 0.000 1.050 242 K CA 3.107 59.185 56.287 -0.348 0.000 0.942 242 K CB -0.586 31.630 32.500 -0.474 0.000 0.724 242 K HN -0.749 7.571 8.250 0.118 0.000 0.446 243 D N 0.189 120.498 120.400 -0.152 0.000 2.091 243 D HA -0.151 nan 4.640 nan 0.000 0.199 243 D C 2.395 178.683 176.300 -0.021 0.000 0.980 243 D CA 3.513 57.471 54.000 -0.070 0.000 0.831 243 D CB -0.135 40.550 40.800 -0.191 0.000 0.987 243 D HN -0.534 7.643 8.370 -0.208 0.069 0.460 244 W N -0.846 120.419 121.300 -0.058 0.000 2.425 244 W HA -0.069 nan 4.660 nan 0.000 0.277 244 W C 2.348 178.771 176.519 -0.161 0.000 1.231 244 W CA 1.764 59.060 57.345 -0.083 0.000 1.248 244 W CB -0.794 28.623 29.460 -0.073 0.000 1.117 244 W HN 0.676 8.501 8.180 -0.421 0.102 0.568 245 G N -0.952 107.776 108.800 -0.120 0.000 2.402 245 G HA2 -0.345 nan 3.960 nan 0.000 0.216 245 G HA3 -0.345 nan 3.960 nan 0.000 0.216 245 G C 1.060 175.874 174.900 -0.143 0.000 1.162 245 G CA 2.166 47.081 45.100 -0.308 0.000 0.777 245 G HN 0.486 8.517 8.290 -0.256 0.105 0.539 246 Y N 0.921 121.136 120.300 -0.142 0.000 2.509 246 Y HA -0.177 nan 4.550 nan 0.000 0.293 246 Y C 2.221 178.116 175.900 -0.008 0.000 1.133 246 Y CA 2.345 60.399 58.100 -0.077 0.000 1.283 246 Y CB -0.381 38.035 38.460 -0.073 0.000 1.001 246 Y HN -0.516 7.740 8.280 -0.040 0.000 0.555 247 Q N 0.981 120.887 119.800 0.176 0.000 2.096 247 Q HA -0.279 nan 4.340 nan 0.000 0.197 247 Q C 2.160 178.234 176.000 0.124 0.000 0.964 247 Q CA 3.054 58.950 55.803 0.156 0.000 0.838 247 Q CB 0.176 29.048 28.738 0.224 0.000 0.906 247 Q HN -0.272 7.971 8.270 0.185 0.139 0.444 248 L N -0.281 121.005 121.223 0.105 0.000 2.021 248 L HA -0.363 nan 4.340 nan 0.000 0.215 248 L C 1.823 178.819 176.870 0.209 0.000 1.074 248 L CA 3.362 58.276 54.840 0.122 0.000 0.760 248 L CB -0.471 41.623 42.059 0.058 0.000 0.889 248 L HN 0.391 8.577 8.230 0.097 0.103 0.433 249 A N -3.631 119.269 122.820 0.133 0.000 2.014 249 A HA -0.301 nan 4.320 nan 0.000 0.218 249 A C 2.036 179.721 177.584 0.169 0.000 1.163 249 A CA 2.540 54.662 52.037 0.142 0.000 0.652 249 A CB -0.557 18.486 19.000 0.071 0.000 0.808 249 A HN -0.380 7.816 8.150 0.076 0.000 0.449 250 R N -1.421 119.162 120.500 0.137 0.000 2.075 250 R HA -0.372 nan 4.340 nan 0.000 0.230 250 R C 2.970 179.321 176.300 0.085 0.000 1.140 250 R CA 3.639 59.797 56.100 0.096 0.000 0.928 250 R CB -0.000 30.348 30.300 0.080 0.000 0.834 250 R HN 0.018 8.169 8.270 0.140 0.203 0.429 251 E N -1.331 118.918 120.200 0.082 0.000 2.022 251 E HA -0.141 nan 4.350 nan 0.000 0.193 251 E C 2.620 179.232 176.600 0.020 0.000 0.969 251 E CA 2.229 58.655 56.400 0.045 0.000 0.834 251 E CB 0.047 29.766 29.700 0.033 0.000 0.798 251 E HN -0.111 8.308 8.360 0.098 0.000 0.467 252 E N -1.770 118.440 120.200 0.015 0.000 2.418 252 E HA -0.156 nan 4.350 nan 0.000 0.197 252 E C 1.175 177.550 176.600 -0.376 0.000 1.026 252 E CA 2.065 58.372 56.400 -0.154 0.000 0.862 252 E CB 0.265 29.860 29.700 -0.174 0.000 0.799 252 E HN -0.238 8.169 8.360 0.078 0.000 0.518 253 F N -3.373 116.576 119.950 -0.000 0.000 2.767 253 F HA 0.170 nan 4.527 nan 0.000 0.323 253 F C -1.006 174.796 175.800 0.005 0.000 1.091 253 F CA -0.096 57.904 58.000 0.001 0.000 1.192 253 F CB 1.285 40.284 39.000 -0.002 0.000 1.056 253 F HN -0.814 7.574 8.300 0.225 0.047 0.571 254 G N 0.274 109.153 108.800 0.132 0.000 2.392 254 G HA2 -0.438 nan 3.960 nan 0.000 0.290 254 G HA3 -0.438 nan 3.960 nan 0.000 0.290 254 G C -0.200 174.754 174.900 0.089 0.000 1.032 254 G CA 0.068 45.217 45.100 0.081 0.000 1.269 254 G HN -0.709 7.652 8.290 0.119 0.000 0.511 255 G N -0.192 108.663 108.800 0.092 0.000 2.372 255 G HA2 0.306 nan 3.960 nan 0.000 0.283 255 G HA3 0.306 nan 3.960 nan 0.000 0.283 255 G C -1.046 173.883 174.900 0.049 0.000 1.177 255 G CA -0.806 44.339 45.100 0.075 0.000 0.842 255 G HN -0.582 7.769 8.290 0.100 0.000 0.503 256 E N 3.081 123.307 120.200 0.043 0.000 2.204 256 E HA 0.216 nan 4.350 nan 0.000 0.276 256 E C -0.375 176.244 176.600 0.032 0.000 0.974 256 E CA -1.324 55.095 56.400 0.033 0.000 0.815 256 E CB 2.680 32.400 29.700 0.034 0.000 1.119 256 E HN 0.347 8.628 8.360 0.048 0.108 0.393 257 L N 1.881 123.116 121.223 0.021 0.000 2.410 257 L HA 0.083 nan 4.340 nan 0.000 0.273 257 L C 0.697 177.596 176.870 0.048 0.000 1.144 257 L CA -0.260 54.593 54.840 0.022 0.000 0.863 257 L CB 0.516 42.576 42.059 0.001 0.000 1.140 257 L HN 0.577 8.816 8.230 0.015 0.000 0.463 258 I N 5.414 126.037 120.570 0.089 0.000 2.737 258 I HA -0.460 nan 4.170 nan 0.000 0.293 258 I C 0.575 176.728 176.117 0.061 0.000 1.056 258 I CA 1.222 62.590 61.300 0.114 0.000 2.394 258 I CB -2.909 35.236 38.000 0.242 0.000 1.586 258 I HN 0.421 8.696 8.210 0.108 0.000 1.074 259 D N 1.690 122.111 120.400 0.034 0.000 4.241 259 D HA -0.390 nan 4.640 nan 0.000 0.223 259 D C 0.475 176.772 176.300 -0.004 0.000 1.238 259 D CA 2.635 56.642 54.000 0.011 0.000 2.331 259 D CB -1.073 39.730 40.800 0.006 0.000 1.209 259 D HN 0.627 8.970 8.370 0.037 0.050 0.407 260 G N 0.350 109.139 108.800 -0.018 0.000 2.613 260 G HA2 0.183 nan 3.960 nan 0.000 0.303 260 G HA3 0.183 nan 3.960 nan 0.000 0.303 260 G C -0.992 173.890 174.900 -0.030 0.000 1.312 260 G CA -0.709 44.372 45.100 -0.032 0.000 1.036 260 G HN -0.415 7.808 8.290 -0.018 0.056 0.513 261 G N -1.336 107.439 108.800 -0.041 0.000 2.467 261 G HA2 -0.042 nan 3.960 nan 0.000 0.243 261 G HA3 -0.042 nan 3.960 nan 0.000 0.243 261 G C -0.209 174.667 174.900 -0.040 0.000 1.521 261 G CA -0.191 44.882 45.100 -0.046 0.000 1.055 261 G HN -0.104 8.161 8.290 -0.042 0.000 0.553 262 P HA -0.323 nan 4.420 nan 0.000 0.229 262 P C -0.325 177.021 177.300 0.078 0.000 1.073 262 P CA 1.689 64.784 63.100 -0.010 0.000 1.022 262 P CB 0.134 31.866 31.700 0.054 0.000 0.752 263 W N -3.902 117.395 121.300 -0.004 0.000 2.226 263 W HA -0.146 nan 4.660 nan 0.000 0.352 263 W C -0.172 176.350 176.519 0.005 0.000 1.277 263 W CA 0.372 57.742 57.345 0.043 0.000 1.305 263 W CB 0.033 29.523 29.460 0.050 0.000 1.193 263 W HN -0.466 7.828 8.180 0.189 0.000 0.596 264 L N 0.170 121.527 121.223 0.223 0.000 2.409 264 L HA 0.630 nan 4.340 nan 0.000 0.255 264 L C -2.630 174.288 176.870 0.080 0.000 1.027 264 L CA -0.643 54.269 54.840 0.120 0.000 0.834 264 L CB 4.767 46.882 42.059 0.094 0.000 1.426 264 L HN -0.116 8.244 8.230 0.217 0.000 0.411 265 K N 0.679 121.115 120.400 0.059 0.000 2.426 265 K HA 0.644 nan 4.320 nan 0.000 0.251 265 K C -1.999 174.624 176.600 0.039 0.000 0.941 265 K CA -1.684 54.626 56.287 0.037 0.000 0.808 265 K CB 3.840 36.364 32.500 0.040 0.000 1.265 265 K HN 0.155 8.441 8.250 0.059 0.000 0.432 266 V N 3.011 122.943 119.914 0.030 0.000 2.547 266 V HA 0.342 nan 4.120 nan 0.000 0.299 266 V C -0.726 175.402 176.094 0.056 0.000 1.040 266 V CA -1.907 60.424 62.300 0.051 0.000 0.913 266 V CB 2.161 34.005 31.823 0.036 0.000 0.992 266 V HN 0.123 8.321 8.190 0.013 0.000 0.449 267 K N 8.173 128.616 120.400 0.072 0.000 2.237 267 K HA -0.171 nan 4.320 nan 0.000 0.283 267 K C -1.164 175.486 176.600 0.083 0.000 1.080 267 K CA 0.293 56.617 56.287 0.061 0.000 0.965 267 K CB -0.481 32.048 32.500 0.049 0.000 1.098 267 K HN -0.076 8.225 8.250 0.085 0.000 0.434 268 N N 8.571 127.309 118.700 0.064 0.000 2.437 268 N HA 0.225 nan 4.740 nan 0.000 0.243 268 N C -1.037 174.503 175.510 0.050 0.000 1.041 268 N CA -3.150 49.940 53.050 0.066 0.000 0.940 268 N CB 0.695 39.205 38.487 0.039 0.000 1.133 268 N HN -0.320 8.079 8.380 0.047 0.010 0.506 269 P HA -0.105 nan 4.420 nan 0.000 0.206 269 P C 0.845 178.158 177.300 0.022 0.000 1.209 269 P CA 1.867 64.987 63.100 0.034 0.000 0.923 269 P CB 0.122 31.841 31.700 0.033 0.000 0.761 270 N N -2.744 115.968 118.700 0.020 0.000 2.666 270 N HA -0.183 nan 4.740 nan 0.000 0.194 270 N C -0.228 175.287 175.510 0.008 0.000 1.220 270 N CA 1.408 54.465 53.050 0.012 0.000 0.928 270 N CB -1.290 37.204 38.487 0.011 0.000 0.997 270 N HN 0.556 8.953 8.380 0.027 0.000 0.447 271 T N -7.508 107.052 114.554 0.010 0.000 3.265 271 T HA 0.170 nan 4.350 nan 0.000 0.263 271 T C 1.377 176.081 174.700 0.007 0.000 0.862 271 T CA 0.204 62.307 62.100 0.006 0.000 0.900 271 T CB 1.810 70.680 68.868 0.003 0.000 1.260 271 T HN -0.350 7.785 8.240 0.013 0.113 0.547 272 G N 4.832 113.639 108.800 0.011 0.000 2.377 272 G HA2 -0.485 nan 3.960 nan 0.000 0.250 272 G HA3 -0.485 nan 3.960 nan 0.000 0.250 272 G C -0.205 174.701 174.900 0.010 0.000 1.039 272 G CA 0.863 45.970 45.100 0.012 0.000 0.625 272 G HN -0.229 8.070 8.290 0.015 0.000 0.526 273 K N 1.933 122.338 120.400 0.007 0.000 2.448 273 K HA -0.102 nan 4.320 nan 0.000 0.278 273 K C -0.775 175.826 176.600 0.003 0.000 1.009 273 K CA 0.260 56.549 56.287 0.004 0.000 0.995 273 K CB 0.527 33.027 32.500 0.001 0.000 0.917 273 K HN -0.537 7.635 8.250 0.006 0.082 0.481 274 E N 1.839 122.040 120.200 0.002 0.000 2.392 274 E HA -0.091 nan 4.350 nan 0.000 0.264 274 E C -0.624 175.967 176.600 -0.015 0.000 1.024 274 E CA -0.063 56.337 56.400 -0.001 0.000 0.903 274 E CB 0.181 29.883 29.700 0.003 0.000 0.963 274 E HN -0.045 8.316 8.360 0.002 0.000 0.432 275 I N 1.549 122.106 120.570 -0.022 0.000 2.447 275 I HA 0.184 nan 4.170 nan 0.000 0.287 275 I C -0.916 175.158 176.117 -0.071 0.000 1.023 275 I CA -1.064 60.209 61.300 -0.046 0.000 1.083 275 I CB 2.348 40.323 38.000 -0.041 0.000 1.245 275 I HN 0.065 8.267 8.210 -0.012 0.000 0.434 276 V N 7.493 127.334 119.914 -0.123 0.000 2.583 276 V HA 0.328 nan 4.120 nan 0.000 0.287 276 V C -0.787 175.209 176.094 -0.163 0.000 1.051 276 V CA -0.183 62.007 62.300 -0.183 0.000 1.010 276 V CB 0.472 32.080 31.823 -0.359 0.000 0.988 276 V HN 0.009 8.120 8.190 -0.132 0.000 0.478 277 I N 6.433 126.943 120.570 -0.100 0.000 2.354 277 I HA 0.609 nan 4.170 nan 0.000 0.286 277 I C -1.130 175.000 176.117 0.022 0.000 1.007 277 I CA -2.235 59.038 61.300 -0.045 0.000 1.167 277 I CB -1.186 36.851 38.000 0.061 0.000 1.320 277 I HN 0.171 8.344 8.210 -0.062 0.000 0.458 278 K N 6.637 126.993 120.400 -0.075 0.000 2.433 278 K HA 0.743 nan 4.320 nan 0.000 0.252 278 K C -2.462 174.116 176.600 -0.038 0.000 1.015 278 K CA -1.940 54.380 56.287 0.055 0.000 0.860 278 K CB 3.416 35.918 32.500 0.003 0.000 1.359 278 K HN 0.973 9.139 8.250 -0.140 0.000 0.452 279 D N -2.062 118.418 120.400 0.134 0.000 2.498 279 D HA 0.548 nan 4.640 nan 0.000 0.247 279 D C -0.857 175.617 176.300 0.290 0.000 1.070 279 D CA -1.080 52.989 54.000 0.115 0.000 0.842 279 D CB 2.071 42.863 40.800 -0.014 0.000 1.361 279 D HN -0.145 8.418 8.370 0.321 0.000 0.484 280 V N 1.901 121.956 119.914 0.235 0.000 2.715 280 V HA 0.313 nan 4.120 nan 0.000 0.310 280 V C -0.922 175.209 176.094 0.062 0.000 1.054 280 V CA -1.729 60.685 62.300 0.191 0.000 0.928 280 V CB 3.747 35.660 31.823 0.151 0.000 1.007 280 V HN -0.115 8.170 8.190 0.159 0.000 0.437 281 I N 4.116 124.667 120.570 -0.032 0.000 2.533 281 I HA -0.130 nan 4.170 nan 0.000 0.284 281 I C 0.876 176.966 176.117 -0.045 0.000 1.109 281 I CA 0.131 61.310 61.300 -0.201 0.000 1.412 281 I CB 0.830 38.744 38.000 -0.143 0.000 1.396 281 I HN 0.312 8.557 8.210 0.058 0.000 0.543 282 A N 8.791 131.562 122.820 -0.081 0.000 1.997 282 A HA -0.508 nan 4.320 nan 0.000 0.226 282 A C 1.055 178.695 177.584 0.092 0.000 1.327 282 A CA 3.569 55.617 52.037 0.018 0.000 0.693 282 A CB -0.588 18.386 19.000 -0.044 0.000 0.832 282 A HN 0.623 8.521 8.150 -0.210 0.126 0.497 283 D N -4.331 116.091 120.400 0.037 0.000 2.262 283 D HA -0.143 nan 4.640 nan 0.000 0.212 283 D C 1.529 177.833 176.300 0.007 0.000 0.964 283 D CA 1.756 55.769 54.000 0.021 0.000 0.875 283 D CB -0.387 40.416 40.800 0.004 0.000 0.996 283 D HN -0.023 8.291 8.370 0.002 0.057 0.497 284 A N -0.202 122.629 122.820 0.019 0.000 1.969 284 A HA -0.204 nan 4.320 nan 0.000 0.218 284 A C 1.508 179.091 177.584 -0.002 0.000 1.169 284 A CA 2.562 54.608 52.037 0.014 0.000 0.635 284 A CB -0.670 18.355 19.000 0.042 0.000 0.810 284 A HN -0.452 7.710 8.150 0.021 0.000 0.445 285 F N -1.271 118.607 119.950 -0.120 0.000 2.206 285 F HA -0.226 nan 4.527 nan 0.000 0.298 285 F C 0.939 176.647 175.800 -0.153 0.000 1.090 285 F CA 2.608 60.489 58.000 -0.198 0.000 1.323 285 F CB 0.838 39.724 39.000 -0.189 0.000 1.028 285 F HN -0.012 8.272 8.300 0.159 0.111 0.492 286 L N -1.736 119.395 121.223 -0.154 0.000 2.013 286 L HA -0.387 nan 4.340 nan 0.000 0.212 286 L C 1.829 178.540 176.870 -0.264 0.000 1.073 286 L CA 3.083 57.802 54.840 -0.201 0.000 0.753 286 L CB -0.800 41.224 42.059 -0.058 0.000 0.890 286 L HN -0.320 7.748 8.230 0.020 0.174 0.432 287 Q N -5.814 113.873 119.800 -0.189 0.000 2.482 287 Q HA -0.182 nan 4.340 nan 0.000 0.209 287 Q C 1.742 177.627 176.000 -0.193 0.000 0.961 287 Q CA 1.593 57.301 55.803 -0.158 0.000 0.945 287 Q CB -0.304 28.383 28.738 -0.085 0.000 1.012 287 Q HN -0.575 7.615 8.270 -0.134 0.000 0.515 288 Q N 0.436 120.035 119.800 -0.335 0.000 2.062 288 Q HA -0.156 nan 4.340 nan 0.000 0.196 288 Q C 2.384 178.202 176.000 -0.304 0.000 0.967 288 Q CA 1.942 57.549 55.803 -0.327 0.000 0.832 288 Q CB -0.046 28.340 28.738 -0.586 0.000 0.899 288 Q HN -0.269 7.529 8.270 -0.442 0.206 0.442 289 I N -5.886 114.384 120.570 -0.500 0.000 3.164 289 I HA -0.310 nan 4.170 nan 0.000 0.278 289 I C -0.061 175.941 176.117 -0.191 0.000 1.320 289 I CA 2.158 63.255 61.300 -0.337 0.000 1.422 289 I CB -1.087 36.658 38.000 -0.425 0.000 1.066 289 I HN -0.744 7.021 8.210 -0.742 0.000 0.503 290 L N -3.105 118.022 121.223 -0.160 0.000 2.694 290 L HA 0.083 nan 4.340 nan 0.000 0.228 290 L C 0.101 176.928 176.870 -0.072 0.000 1.048 290 L CA 1.709 56.484 54.840 -0.108 0.000 0.887 290 L CB 2.320 44.330 42.059 -0.082 0.000 1.265 290 L HN -0.891 7.129 8.230 -0.179 0.103 0.492 291 L N -2.380 118.814 121.223 -0.048 0.000 2.189 291 L HA -0.128 nan 4.340 nan 0.000 0.199 291 L C 1.119 178.005 176.870 0.027 0.000 1.074 291 L CA 1.941 56.786 54.840 0.009 0.000 0.783 291 L CB 0.746 42.812 42.059 0.012 0.000 0.955 291 L HN -0.805 7.284 8.230 -0.076 0.095 0.460 292 R N -2.923 117.604 120.500 0.044 0.000 2.651 292 R HA 0.452 nan 4.340 nan 0.000 0.282 292 R C -2.196 174.172 176.300 0.114 0.000 1.565 292 R CA -3.095 53.053 56.100 0.081 0.000 1.661 292 R CB 1.014 31.395 30.300 0.134 0.000 1.189 292 R HN -0.453 7.838 8.270 0.036 0.000 0.621 293 P HA 0.076 nan 4.420 nan 0.000 0.275 293 P C -0.232 177.091 177.300 0.039 0.000 1.270 293 P CA -0.176 62.951 63.100 0.046 0.000 0.791 293 P CB 0.309 31.966 31.700 -0.072 0.000 1.089 294 A N -1.286 121.557 122.820 0.037 0.000 3.721 294 A HA -0.331 nan 4.320 nan 0.000 0.270 294 A C 0.272 177.824 177.584 -0.054 0.000 1.036 294 A CA 1.875 53.910 52.037 -0.002 0.000 1.102 294 A CB -1.706 17.286 19.000 -0.014 0.000 1.100 294 A HN 0.491 8.677 8.150 0.060 0.000 0.887 295 E N -4.478 115.658 120.200 -0.107 0.000 2.474 295 E HA -0.077 nan 4.350 nan 0.000 0.194 295 E C -1.610 174.552 176.600 -0.730 0.000 1.041 295 E CA 0.420 56.622 56.400 -0.329 0.000 0.874 295 E CB 0.665 30.191 29.700 -0.290 0.000 0.914 295 E HN -0.385 7.857 8.360 -0.015 0.109 0.498 296 Y N -5.134 115.209 120.300 0.072 0.000 2.409 296 Y HA 0.196 nan 4.550 nan 0.000 0.343 296 Y C -1.479 174.476 175.900 0.092 0.000 0.973 296 Y CA -0.704 57.470 58.100 0.124 0.000 1.064 296 Y CB 2.265 40.888 38.460 0.271 0.000 1.207 296 Y HN -0.763 7.415 8.280 -0.042 0.076 0.452 297 D N 0.370 120.866 120.400 0.159 0.000 2.845 297 D HA 0.110 nan 4.640 nan 0.000 0.155 297 D C -1.812 174.572 176.300 0.140 0.000 1.490 297 D CA 0.619 54.689 54.000 0.116 0.000 1.548 297 D CB 3.074 43.902 40.800 0.046 0.000 1.523 297 D HN 0.023 8.507 8.370 0.190 0.000 0.233 298 V N 1.202 121.192 119.914 0.126 0.000 2.350 298 V HA 0.457 nan 4.120 nan 0.000 0.276 298 V C -1.391 174.788 176.094 0.140 0.000 1.028 298 V CA -0.256 62.155 62.300 0.184 0.000 0.860 298 V CB 0.676 32.599 31.823 0.167 0.000 0.990 298 V HN -0.634 7.605 8.190 0.080 0.000 0.453 299 I N 8.781 129.451 120.570 0.167 0.000 2.441 299 I HA 0.703 nan 4.170 nan 0.000 0.295 299 I C -2.336 173.869 176.117 0.147 0.000 0.994 299 I CA -1.401 59.940 61.300 0.069 0.000 1.144 299 I CB 3.576 41.586 38.000 0.017 0.000 1.314 299 I HN 0.678 9.019 8.210 0.218 0.000 0.445 300 A N 6.396 129.272 122.820 0.094 0.000 2.374 300 A HA 0.956 nan 4.320 nan 0.000 0.305 300 A C -2.279 175.418 177.584 0.189 0.000 1.053 300 A CA -1.798 50.347 52.037 0.179 0.000 0.726 300 A CB 2.522 21.611 19.000 0.148 0.000 1.229 300 A HN 0.902 9.065 8.150 0.021 0.000 0.431 301 C N -1.772 117.559 119.300 0.050 0.000 3.295 301 C HA 0.745 nan 4.460 nan 0.000 0.341 301 C C -1.223 173.483 174.990 -0.475 0.000 1.418 301 C CA -1.980 56.828 59.018 -0.351 0.000 1.240 301 C CB 3.284 30.878 27.740 -0.243 0.000 1.562 301 C HN 0.168 8.446 8.230 0.079 0.000 0.457 302 M N -1.346 117.846 119.600 -0.679 0.000 2.114 302 M HA 0.130 nan 4.480 nan 0.000 0.293 302 M C 1.468 177.554 176.300 -0.357 0.000 1.201 302 M CA 0.559 55.590 55.300 -0.449 0.000 1.107 302 M CB 0.654 32.974 32.600 -0.466 0.000 1.405 302 M HN 0.328 8.147 8.290 -0.785 0.000 0.486 303 N N 0.977 119.473 118.700 -0.339 0.000 2.089 303 N HA -0.396 nan 4.740 nan 0.000 0.198 303 N C 2.585 177.570 175.510 -0.875 0.000 1.017 303 N CA 3.613 56.386 53.050 -0.462 0.000 0.880 303 N CB -0.056 38.184 38.487 -0.412 0.000 1.042 303 N HN 0.151 8.377 8.380 -0.256 0.000 0.446 304 L N -0.700 119.917 121.223 -1.010 0.000 2.007 304 L HA -0.241 nan 4.340 nan 0.000 0.205 304 L C 0.950 177.286 176.870 -0.891 0.000 1.073 304 L CA 4.290 58.376 54.840 -1.257 0.000 0.744 304 L CB -0.194 41.358 42.059 -0.845 0.000 0.898 304 L HN 0.163 8.172 8.230 -0.705 -0.202 0.435 305 N N -0.767 117.615 118.700 -0.530 0.000 2.120 305 N HA -0.352 nan 4.740 nan 0.000 0.188 305 N C 2.379 177.773 175.510 -0.193 0.000 1.024 305 N CA 3.792 56.680 53.050 -0.269 0.000 0.852 305 N CB -1.063 37.312 38.487 -0.186 0.000 1.003 305 N HN 0.088 8.173 8.380 -0.491 0.000 0.424 306 G N 0.451 109.104 108.800 -0.245 0.000 2.529 306 G HA2 -0.463 nan 3.960 nan 0.000 0.219 306 G HA3 -0.463 nan 3.960 nan 0.000 0.219 306 G C 0.899 175.745 174.900 -0.089 0.000 1.177 306 G CA 2.192 47.199 45.100 -0.154 0.000 0.773 306 G HN 0.344 8.442 8.290 -0.320 0.000 0.573 307 D N 2.204 122.527 120.400 -0.128 0.000 2.104 307 D HA -0.240 nan 4.640 nan 0.000 0.194 307 D C 2.194 178.605 176.300 0.186 0.000 0.994 307 D CA 3.100 57.129 54.000 0.049 0.000 0.830 307 D CB 0.015 40.923 40.800 0.179 0.000 0.959 307 D HN -0.351 7.846 8.370 -0.289 0.000 0.452 308 Y N -2.037 118.275 120.300 0.020 0.000 2.373 308 Y HA -0.146 nan 4.550 nan 0.000 0.293 308 Y C 2.940 178.856 175.900 0.026 0.000 1.129 308 Y CA 0.745 58.863 58.100 0.030 0.000 1.226 308 Y CB -0.455 38.019 38.460 0.024 0.000 1.000 308 Y HN -0.252 7.989 8.280 -0.066 0.000 0.549 309 I N -0.265 120.410 120.570 0.175 0.000 2.406 309 I HA -0.549 nan 4.170 nan 0.000 0.249 309 I C 1.755 177.934 176.117 0.105 0.000 1.122 309 I CA 4.052 65.441 61.300 0.148 0.000 1.431 309 I CB -0.368 37.753 38.000 0.200 0.000 1.087 309 I HN 0.469 8.758 8.210 0.132 0.000 0.424 310 S N 1.436 117.188 115.700 0.087 0.000 2.357 310 S HA -0.306 nan 4.470 nan 0.000 0.221 310 S C 1.770 176.411 174.600 0.068 0.000 1.031 310 S CA 4.838 63.076 58.200 0.063 0.000 0.982 310 S CB -0.265 62.961 63.200 0.042 0.000 0.853 310 S HN -0.492 7.869 8.310 0.085 0.000 0.458 311 D N 1.385 121.838 120.400 0.089 0.000 2.183 311 D HA -0.144 nan 4.640 nan 0.000 0.203 311 D C 1.787 178.116 176.300 0.048 0.000 0.969 311 D CA 3.075 57.120 54.000 0.074 0.000 0.842 311 D CB -0.358 40.501 40.800 0.098 0.000 0.957 311 D HN -0.279 8.163 8.370 0.120 0.000 0.484 312 A N 0.012 122.860 122.820 0.045 0.000 1.873 312 A HA -0.142 nan 4.320 nan 0.000 0.215 312 A C 1.988 179.576 177.584 0.005 0.000 1.186 312 A CA 2.997 55.040 52.037 0.011 0.000 0.616 312 A CB -0.319 18.679 19.000 -0.003 0.000 0.823 312 A HN -0.148 8.045 8.150 0.072 0.000 0.442 313 L N -1.539 119.694 121.223 0.017 0.000 2.201 313 L HA -0.255 nan 4.340 nan 0.000 0.212 313 L C 2.091 178.980 176.870 0.031 0.000 1.105 313 L CA 1.747 56.596 54.840 0.014 0.000 0.775 313 L CB -0.898 41.181 42.059 0.033 0.000 0.913 313 L HN -0.073 8.070 8.230 0.034 0.107 0.440 314 A N -0.850 121.997 122.820 0.046 0.000 1.858 314 A HA -0.309 nan 4.320 nan 0.000 0.216 314 A C 1.423 179.046 177.584 0.065 0.000 1.190 314 A CA 3.483 55.558 52.037 0.064 0.000 0.617 314 A CB -0.963 18.075 19.000 0.063 0.000 0.827 314 A HN 0.169 8.317 8.150 0.044 0.029 0.443 315 A N -3.182 119.664 122.820 0.044 0.000 2.072 315 A HA -0.124 nan 4.320 nan 0.000 0.216 315 A C 2.475 180.074 177.584 0.025 0.000 1.156 315 A CA 2.157 54.218 52.037 0.041 0.000 0.701 315 A CB -0.680 18.334 19.000 0.023 0.000 0.816 315 A HN -0.379 7.791 8.150 0.034 0.000 0.458 316 Q N -1.524 118.280 119.800 0.006 0.000 2.170 316 Q HA -0.252 nan 4.340 nan 0.000 0.203 316 Q C 1.370 177.350 176.000 -0.033 0.000 0.976 316 Q CA 2.881 58.671 55.803 -0.020 0.000 0.858 316 Q CB 0.021 28.734 28.738 -0.041 0.000 0.907 316 Q HN -0.153 8.120 8.270 0.005 0.000 0.433 317 V N -8.993 110.923 119.914 0.004 0.000 3.636 317 V HA 0.182 nan 4.120 nan 0.000 0.279 317 V C 0.023 176.182 176.094 0.109 0.000 1.263 317 V CA -1.360 60.946 62.300 0.010 0.000 1.182 317 V CB -2.124 29.768 31.823 0.116 0.000 0.955 317 V HN -0.763 7.445 8.190 0.029 0.000 0.443 318 G N 0.501 109.355 108.800 0.090 0.000 2.249 318 G HA2 -0.350 nan 3.960 nan 0.000 0.273 318 G HA3 -0.350 nan 3.960 nan 0.000 0.273 318 G C -0.075 174.955 174.900 0.217 0.000 1.036 318 G CA 1.013 46.197 45.100 0.140 0.000 0.824 318 G HN -0.057 8.051 8.290 0.045 0.209 0.504 319 G N -1.695 107.217 108.800 0.188 0.000 2.595 319 G HA2 0.047 nan 3.960 nan 0.000 0.213 319 G HA3 0.047 nan 3.960 nan 0.000 0.213 319 G C 0.683 175.684 174.900 0.169 0.000 1.141 319 G CA -0.226 45.001 45.100 0.213 0.000 0.806 319 G HN -0.169 8.190 8.290 0.139 0.014 0.530 320 I N 2.659 123.299 120.570 0.116 0.000 2.404 320 I HA -0.571 nan 4.170 nan 0.000 0.236 320 I C 1.567 177.713 176.117 0.048 0.000 0.953 320 I CA 2.635 63.977 61.300 0.069 0.000 1.253 320 I CB -0.276 37.748 38.000 0.040 0.000 0.960 320 I HN -0.812 7.463 8.210 0.107 0.000 0.402 321 G N -2.799 105.999 108.800 -0.002 0.000 2.432 321 G HA2 -0.220 nan 3.960 nan 0.000 0.219 321 G HA3 -0.220 nan 3.960 nan 0.000 0.219 321 G C 0.894 175.786 174.900 -0.013 0.000 1.135 321 G CA 1.777 46.819 45.100 -0.096 0.000 0.767 321 G HN 0.344 8.650 8.290 0.027 0.000 0.550 322 I N -6.174 114.429 120.570 0.056 0.000 4.057 322 I HA 0.301 nan 4.170 nan 0.000 0.334 322 I C -1.184 174.973 176.117 0.067 0.000 1.308 322 I CA -0.915 60.425 61.300 0.067 0.000 1.125 322 I CB 0.508 38.561 38.000 0.089 0.000 1.034 322 I HN -0.566 7.714 8.210 0.116 0.000 0.401 323 A N 2.072 124.939 122.820 0.079 0.000 2.409 323 A HA 0.331 nan 4.320 nan 0.000 0.267 323 A C -2.082 175.531 177.584 0.048 0.000 1.127 323 A CA -2.748 49.340 52.037 0.086 0.000 0.795 323 A CB -0.105 18.950 19.000 0.090 0.000 1.061 323 A HN -0.498 7.699 8.150 0.078 0.000 0.502 324 P HA 0.268 nan 4.420 nan 0.000 0.274 324 P C -1.027 176.284 177.300 0.018 0.000 1.256 324 P CA -0.842 62.281 63.100 0.038 0.000 0.795 324 P CB 0.861 32.603 31.700 0.071 0.000 1.038 325 G N -3.666 105.146 108.800 0.020 0.000 2.759 325 G HA2 0.249 nan 3.960 nan 0.000 0.297 325 G HA3 0.249 nan 3.960 nan 0.000 0.297 325 G C -2.836 172.053 174.900 -0.017 0.000 1.434 325 G CA 0.166 45.257 45.100 -0.015 0.000 0.980 325 G HN -0.437 7.882 8.290 0.047 0.000 0.531 326 A N 1.086 123.849 122.820 -0.095 0.000 2.515 326 A HA 0.822 nan 4.320 nan 0.000 0.298 326 A C -2.459 174.950 177.584 -0.291 0.000 1.059 326 A CA -1.291 50.589 52.037 -0.261 0.000 0.698 326 A CB 3.240 22.132 19.000 -0.180 0.000 1.289 326 A HN -0.070 8.021 8.150 -0.100 0.000 0.404 327 N N 0.788 119.255 118.700 -0.388 0.000 2.399 327 N HA 0.701 nan 4.740 nan 0.000 0.284 327 N C -2.061 173.265 175.510 -0.307 0.000 1.025 327 N CA -0.162 52.723 53.050 -0.274 0.000 0.885 327 N CB 3.610 41.973 38.487 -0.207 0.000 1.339 327 N HN 0.039 8.068 8.380 -0.587 0.000 0.487 328 I N 2.936 123.354 120.570 -0.254 0.000 2.466 328 I HA 0.552 nan 4.170 nan 0.000 0.289 328 I C -1.462 174.457 176.117 -0.330 0.000 1.026 328 I CA -1.255 59.886 61.300 -0.265 0.000 1.078 328 I CB 3.441 41.312 38.000 -0.215 0.000 1.249 328 I HN 0.665 8.640 8.210 -0.221 0.103 0.429 329 G N 5.110 113.801 108.800 -0.182 0.000 2.705 329 G HA2 0.353 nan 3.960 nan 0.000 0.299 329 G HA3 0.353 nan 3.960 nan 0.000 0.299 329 G C -1.415 173.471 174.900 -0.023 0.000 1.315 329 G CA -1.141 43.910 45.100 -0.081 0.000 1.045 329 G HN 0.017 8.231 8.290 -0.127 0.000 0.517 330 D N -0.757 119.711 120.400 0.113 0.000 2.290 330 D HA -0.028 nan 4.640 nan 0.000 0.224 330 D C 0.210 176.564 176.300 0.091 0.000 0.967 330 D CA 2.503 56.580 54.000 0.128 0.000 0.893 330 D CB 0.655 41.569 40.800 0.190 0.000 1.037 330 D HN 0.287 8.771 8.370 0.191 0.000 0.477 331 E N 0.929 121.182 120.200 0.088 0.000 2.059 331 E HA -0.125 nan 4.350 nan 0.000 0.262 331 E C -0.240 176.393 176.600 0.055 0.000 1.230 331 E CA 0.041 56.480 56.400 0.065 0.000 0.951 331 E CB -1.130 28.606 29.700 0.059 0.000 1.038 331 E HN -0.079 8.346 8.360 0.110 0.000 0.425 332 C N 0.584 119.921 119.300 0.063 0.000 0.168 332 C HA -0.376 nan 4.460 nan 0.000 0.017 332 C C -1.562 173.448 174.990 0.033 0.000 0.171 332 C CA 0.033 59.093 59.018 0.069 0.000 0.499 332 C CB -0.633 27.145 27.740 0.063 0.000 3.212 332 C HN 0.381 8.629 8.230 0.069 0.023 1.118 333 A N -1.772 121.053 122.820 0.009 0.000 2.612 333 A HA 0.820 nan 4.320 nan 0.000 0.293 333 A C -3.141 174.318 177.584 -0.207 0.000 1.075 333 A CA -0.143 51.806 52.037 -0.148 0.000 0.680 333 A CB 3.322 22.185 19.000 -0.229 0.000 1.279 333 A HN -0.217 7.966 8.150 0.055 0.000 0.411 334 L N -0.588 120.344 121.223 -0.486 0.000 2.441 334 L HA 0.761 nan 4.340 nan 0.000 0.270 334 L C -2.228 174.213 176.870 -0.715 0.000 0.973 334 L CA -1.625 52.963 54.840 -0.421 0.000 0.842 334 L CB 3.154 45.092 42.059 -0.202 0.000 1.239 334 L HN -0.157 7.713 8.230 -0.600 0.000 0.406 335 F N 5.593 125.514 119.950 -0.049 0.000 2.404 335 F HA 0.569 nan 4.527 nan 0.000 0.339 335 F C -1.626 174.163 175.800 -0.019 0.000 1.105 335 F CA -0.630 57.346 58.000 -0.040 0.000 1.087 335 F CB 1.751 40.733 39.000 -0.029 0.000 1.143 335 F HN 0.410 8.745 8.300 0.059 0.000 0.491 336 E N -0.232 120.001 120.200 0.054 0.000 2.449 336 E HA 0.709 nan 4.350 nan 0.000 0.278 336 E C -2.146 174.437 176.600 -0.028 0.000 0.992 336 E CA -2.043 54.364 56.400 0.010 0.000 0.807 336 E CB 4.487 34.169 29.700 -0.030 0.000 1.350 336 E HN 0.847 9.162 8.360 0.071 0.088 0.462 337 A N -0.942 121.839 122.820 -0.066 0.000 2.309 337 A HA 0.532 nan 4.320 nan 0.000 0.298 337 A C 0.442 177.953 177.584 -0.122 0.000 1.165 337 A CA -0.752 51.151 52.037 -0.223 0.000 0.821 337 A CB 0.625 19.431 19.000 -0.322 0.000 1.102 337 A HN 0.339 8.475 8.150 -0.023 0.000 0.500 338 T N -0.370 114.109 114.554 -0.125 0.000 3.088 338 T HA -0.086 nan 4.350 nan 0.000 0.259 338 T C 0.505 175.265 174.700 0.100 0.000 1.122 338 T CA 1.045 63.146 62.100 0.002 0.000 1.095 338 T CB 0.115 68.987 68.868 0.006 0.000 0.930 338 T HN 0.268 8.385 8.240 -0.206 0.000 0.508 339 H N 2.559 121.641 119.070 0.019 0.000 2.508 339 H HA 0.257 nan 4.556 nan 0.000 0.344 339 H C -0.813 174.523 175.328 0.013 0.000 1.192 339 H CA -2.832 53.223 56.048 0.012 0.000 1.290 339 H CB 0.468 30.234 29.762 0.006 0.000 1.571 339 H HN -0.493 7.708 8.280 0.036 0.101 0.555 340 G N -3.048 105.791 108.800 0.065 0.000 2.828 340 G HA2 0.062 nan 3.960 nan 0.000 0.244 340 G HA3 0.062 nan 3.960 nan 0.000 0.244 340 G C -0.329 174.522 174.900 -0.083 0.000 1.365 340 G CA -1.009 44.102 45.100 0.019 0.000 1.041 340 G HN 0.003 8.296 8.290 0.005 0.000 0.560 341 T N -4.171 110.364 114.554 -0.032 0.000 3.051 341 T HA -0.205 nan 4.350 nan 0.000 0.269 341 T C 1.181 175.847 174.700 -0.057 0.000 1.127 341 T CA 1.269 63.351 62.100 -0.031 0.000 1.107 341 T CB -0.357 68.517 68.868 0.011 0.000 0.898 341 T HN 0.309 8.547 8.240 -0.004 0.000 0.517 342 A N 0.892 123.667 122.820 -0.075 0.000 1.693 342 A HA -0.273 nan 4.320 nan 0.000 0.236 342 A C -1.110 176.470 177.584 -0.007 0.000 1.169 342 A CA 0.294 52.300 52.037 -0.051 0.000 0.773 342 A CB -1.194 17.742 19.000 -0.107 0.000 1.147 342 A HN 0.169 8.187 8.150 -0.088 0.079 0.292 343 P HA 0.014 nan 4.420 nan 0.000 0.239 343 P C 0.745 178.053 177.300 0.015 0.000 1.188 343 P CA 0.951 64.058 63.100 0.010 0.000 0.794 343 P CB 0.021 31.725 31.700 0.006 0.000 0.937 344 K N -1.002 119.432 120.400 0.056 0.000 2.362 344 K HA -0.144 nan 4.320 nan 0.000 0.200 344 K C 0.106 176.633 176.600 -0.123 0.000 1.046 344 K CA 1.955 58.244 56.287 0.003 0.000 0.952 344 K CB -0.772 31.778 32.500 0.083 0.000 0.753 344 K HN 0.513 8.813 8.250 0.083 0.000 0.466 345 Y N -4.843 115.373 120.300 -0.140 0.000 2.707 345 Y HA 0.064 nan 4.550 nan 0.000 0.249 345 Y C -1.317 174.478 175.900 -0.174 0.000 1.166 345 Y CA -1.627 56.345 58.100 -0.212 0.000 1.184 345 Y CB 0.051 38.300 38.460 -0.352 0.000 1.240 345 Y HN -0.736 7.594 8.280 0.179 0.058 0.547 346 A N 0.243 123.062 122.820 -0.002 0.000 3.289 346 A HA -0.098 nan 4.320 nan 0.000 0.157 346 A C 2.212 179.783 177.584 -0.023 0.000 1.293 346 A CA 1.580 53.607 52.037 -0.016 0.000 0.896 346 A CB -0.179 18.813 19.000 -0.013 0.000 0.998 346 A HN -0.638 7.349 8.150 -0.014 0.154 0.519 347 G N -2.292 106.497 108.800 -0.019 0.000 2.894 347 G HA2 -0.255 nan 3.960 nan 0.000 0.203 347 G HA3 -0.255 nan 3.960 nan 0.000 0.203 347 G C -0.122 174.767 174.900 -0.018 0.000 1.173 347 G CA 1.400 46.492 45.100 -0.014 0.000 0.854 347 G HN 0.513 8.792 8.290 -0.018 0.000 0.510 348 Q N -0.907 118.876 119.800 -0.027 0.000 2.319 348 Q HA 0.014 nan 4.340 nan 0.000 0.202 348 Q C -0.151 175.834 176.000 -0.025 0.000 0.896 348 Q CA -0.675 55.109 55.803 -0.032 0.000 0.942 348 Q CB 0.823 29.528 28.738 -0.055 0.000 1.083 348 Q HN -0.447 7.657 8.270 -0.032 0.147 0.510 349 D N -2.811 117.580 120.400 -0.016 0.000 3.017 349 D HA -0.245 nan 4.640 nan 0.000 0.220 349 D C -1.136 175.162 176.300 -0.004 0.000 1.141 349 D CA 1.641 55.639 54.000 -0.003 0.000 0.848 349 D CB -0.615 40.189 40.800 0.007 0.000 1.102 349 D HN -0.343 8.093 8.370 -0.015 -0.075 0.427 350 K N -2.938 117.445 120.400 -0.028 0.000 2.166 350 K HA -0.089 nan 4.320 nan 0.000 0.201 350 K C -0.836 175.805 176.600 0.068 0.000 1.052 350 K CA 1.351 57.608 56.287 -0.049 0.000 0.969 350 K CB 0.715 33.099 32.500 -0.192 0.000 0.761 350 K HN -0.182 8.044 8.250 -0.041 0.000 0.459 351 V N -2.199 117.737 119.914 0.036 0.000 3.051 351 V HA -0.083 nan 4.120 nan 0.000 0.306 351 V C -0.865 175.235 176.094 0.011 0.000 1.083 351 V CA -0.533 61.814 62.300 0.079 0.000 1.104 351 V CB 0.701 32.526 31.823 0.002 0.000 1.027 351 V HN -0.450 7.736 8.190 -0.006 0.000 0.483 352 N N 4.032 122.695 118.700 -0.061 0.000 2.497 352 N HA 0.279 nan 4.740 nan 0.000 0.271 352 N C -0.699 174.825 175.510 0.023 0.000 1.142 352 N CA -1.966 50.985 53.050 -0.165 0.000 0.965 352 N CB 0.963 39.267 38.487 -0.305 0.000 1.077 352 N HN -0.039 8.320 8.380 -0.036 0.000 0.462 353 P HA 0.248 nan 4.420 nan 0.000 0.267 353 P C 0.347 177.726 177.300 0.132 0.000 1.289 353 P CA -0.084 63.099 63.100 0.138 0.000 0.866 353 P CB 0.852 32.643 31.700 0.153 0.000 1.309 354 G N -0.382 108.514 108.800 0.160 0.000 2.448 354 G HA2 -0.344 nan 3.960 nan 0.000 0.219 354 G HA3 -0.344 nan 3.960 nan 0.000 0.219 354 G C 1.072 176.003 174.900 0.051 0.000 1.127 354 G CA 1.825 47.016 45.100 0.151 0.000 0.766 354 G HN -0.452 8.061 8.290 0.143 -0.137 0.552 355 S N 1.594 117.292 115.700 -0.003 0.000 2.365 355 S HA -0.297 nan 4.470 nan 0.000 0.221 355 S C 1.976 176.536 174.600 -0.066 0.000 1.037 355 S CA 3.059 61.209 58.200 -0.083 0.000 1.060 355 S CB -0.140 62.864 63.200 -0.327 0.000 0.974 355 S HN -0.611 7.708 8.310 0.015 0.000 0.427 356 I N -0.962 119.560 120.570 -0.079 0.000 3.111 356 I HA -0.130 nan 4.170 nan 0.000 0.272 356 I C 0.834 176.966 176.117 0.024 0.000 1.268 356 I CA 2.004 63.286 61.300 -0.030 0.000 1.467 356 I CB -0.048 37.933 38.000 -0.032 0.000 1.087 356 I HN -0.791 7.381 8.210 -0.064 0.000 0.467 357 I N 0.918 121.506 120.570 0.030 0.000 2.761 357 I HA -0.297 nan 4.170 nan 0.000 0.261 357 I C 0.900 177.042 176.117 0.042 0.000 1.198 357 I CA 3.206 64.528 61.300 0.036 0.000 1.482 357 I CB -0.073 37.946 38.000 0.031 0.000 1.100 357 I HN -0.733 7.452 8.210 0.029 0.043 0.445 358 L N -1.181 120.069 121.223 0.046 0.000 2.446 358 L HA -0.103 nan 4.340 nan 0.000 0.219 358 L C 1.259 178.174 176.870 0.075 0.000 1.116 358 L CA 1.456 56.334 54.840 0.064 0.000 0.844 358 L CB -0.491 41.611 42.059 0.070 0.000 0.970 358 L HN -0.491 7.728 8.230 0.038 0.033 0.457 359 S N 0.365 116.112 115.700 0.077 0.000 2.439 359 S HA -0.166 nan 4.470 nan 0.000 0.224 359 S C 1.449 176.102 174.600 0.087 0.000 1.029 359 S CA 3.087 61.365 58.200 0.130 0.000 0.946 359 S CB -0.021 63.255 63.200 0.126 0.000 0.797 359 S HN -0.644 7.570 8.310 0.060 0.131 0.504 360 A N 1.828 124.682 122.820 0.058 0.000 1.877 360 A HA -0.236 nan 4.320 nan 0.000 0.216 360 A C 1.313 178.875 177.584 -0.037 0.000 1.186 360 A CA 3.287 55.344 52.037 0.032 0.000 0.620 360 A CB -1.042 18.011 19.000 0.088 0.000 0.822 360 A HN -0.439 7.674 8.150 0.069 0.078 0.443 361 E N -1.170 119.034 120.200 0.007 0.000 2.070 361 E HA -0.347 nan 4.350 nan 0.000 0.197 361 E C 2.363 178.947 176.600 -0.026 0.000 1.004 361 E CA 3.053 59.463 56.400 0.018 0.000 0.805 361 E CB -0.385 29.346 29.700 0.052 0.000 0.744 361 E HN -0.607 7.773 8.360 0.034 0.000 0.451 362 M N -1.805 117.768 119.600 -0.046 0.000 2.296 362 M HA -0.279 nan 4.480 nan 0.000 0.265 362 M C 2.625 178.700 176.300 -0.375 0.000 1.064 362 M CA 3.368 58.632 55.300 -0.060 0.000 1.109 362 M CB -0.093 32.572 32.600 0.108 0.000 1.396 362 M HN -0.674 7.616 8.290 0.000 0.000 0.430 363 M N 0.194 119.286 119.600 -0.847 0.000 2.062 363 M HA -0.316 nan 4.480 nan 0.000 0.259 363 M C 2.253 178.218 176.300 -0.559 0.000 1.076 363 M CA 3.721 58.184 55.300 -1.396 0.000 1.122 363 M CB -0.338 31.763 32.600 -0.832 0.000 1.312 363 M HN -0.827 7.005 8.290 -0.537 0.135 0.412 364 L N -2.154 118.883 121.223 -0.311 0.000 2.079 364 L HA -0.488 nan 4.340 nan 0.000 0.210 364 L C 2.112 178.964 176.870 -0.029 0.000 1.081 364 L CA 3.016 57.766 54.840 -0.150 0.000 0.752 364 L CB -0.874 41.208 42.059 0.038 0.000 0.896 364 L HN 0.060 8.120 8.230 -0.284 0.000 0.433 365 R N -2.893 117.604 120.500 -0.004 0.000 2.113 365 R HA -0.410 nan 4.340 nan 0.000 0.244 365 R C 3.017 179.370 176.300 0.089 0.000 1.142 365 R CA 2.958 59.099 56.100 0.069 0.000 0.953 365 R CB -0.971 29.382 30.300 0.088 0.000 0.860 365 R HN -0.222 8.022 8.270 -0.043 0.000 0.438 366 H N 0.089 119.132 119.070 -0.045 0.000 2.357 366 H HA -0.160 nan 4.556 nan 0.000 0.301 366 H C 0.829 176.137 175.328 -0.033 0.000 1.082 366 H CA 2.438 58.485 56.048 -0.002 0.000 1.342 366 H CB -0.151 29.623 29.762 0.020 0.000 1.389 366 H HN -0.757 7.555 8.280 0.098 0.027 0.511 367 M N -2.014 117.512 119.600 -0.123 0.000 2.763 367 M HA -0.210 nan 4.480 nan 0.000 0.244 367 M C 0.331 176.588 176.300 -0.072 0.000 1.065 367 M CA 0.846 56.010 55.300 -0.228 0.000 1.070 367 M CB -0.036 32.275 32.600 -0.483 0.000 1.494 367 M HN -0.386 7.889 8.290 -0.026 0.000 0.546 368 G N -2.909 105.907 108.800 0.028 0.000 2.186 368 G HA2 -0.312 nan 3.960 nan 0.000 0.266 368 G HA3 -0.312 nan 3.960 nan 0.000 0.266 368 G C 0.508 175.576 174.900 0.282 0.000 0.982 368 G CA 0.913 46.088 45.100 0.124 0.000 0.670 368 G HN -0.302 7.812 8.290 0.002 0.177 0.533 369 W N 1.432 122.748 121.300 0.026 0.000 2.708 369 W HA 0.234 nan 4.660 nan 0.000 0.440 369 W C -0.247 176.351 176.519 0.131 0.000 0.688 369 W CA -2.683 54.734 57.345 0.120 0.000 2.213 369 W CB -2.482 27.052 29.460 0.125 0.000 1.209 369 W HN -0.289 7.977 8.180 0.308 0.099 0.783 370 T N 3.657 118.377 114.554 0.276 0.000 2.737 370 T HA -0.477 nan 4.350 nan 0.000 0.269 370 T C 1.603 176.376 174.700 0.123 0.000 1.040 370 T CA 5.337 67.532 62.100 0.160 0.000 1.142 370 T CB -0.275 68.662 68.868 0.114 0.000 0.861 370 T HN -0.370 7.889 8.240 0.256 0.134 0.456 371 E N -0.331 119.950 120.200 0.134 0.000 2.072 371 E HA -0.257 nan 4.350 nan 0.000 0.191 371 E C 1.878 178.427 176.600 -0.085 0.000 0.985 371 E CA 2.738 59.140 56.400 0.004 0.000 0.801 371 E CB -1.018 28.694 29.700 0.020 0.000 0.750 371 E HN -0.314 8.128 8.360 0.229 0.056 0.452 372 A N -0.035 122.763 122.820 -0.037 0.000 1.845 372 A HA -0.188 nan 4.320 nan 0.000 0.215 372 A C 2.048 179.669 177.584 0.062 0.000 1.195 372 A CA 2.645 54.681 52.037 -0.002 0.000 0.616 372 A CB -0.981 18.181 19.000 0.270 0.000 0.832 372 A HN -0.704 7.524 8.150 0.131 0.000 0.443 373 A N -2.855 120.037 122.820 0.121 0.000 1.978 373 A HA -0.345 nan 4.320 nan 0.000 0.220 373 A C 1.728 179.347 177.584 0.059 0.000 1.170 373 A CA 2.973 55.063 52.037 0.088 0.000 0.636 373 A CB -0.692 18.364 19.000 0.094 0.000 0.810 373 A HN -0.172 8.089 8.150 0.185 0.000 0.448 374 D N -2.295 118.133 120.400 0.046 0.000 2.213 374 D HA -0.061 nan 4.640 nan 0.000 0.205 374 D C 2.000 178.307 176.300 0.013 0.000 0.961 374 D CA 2.303 56.322 54.000 0.031 0.000 0.853 374 D CB 0.209 41.024 40.800 0.024 0.000 0.967 374 D HN -0.569 7.794 8.370 0.050 0.037 0.496 375 L N -1.076 120.143 121.223 -0.006 0.000 2.291 375 L HA -0.258 nan 4.340 nan 0.000 0.214 375 L C 2.068 178.932 176.870 -0.009 0.000 1.120 375 L CA 2.473 57.298 54.840 -0.025 0.000 0.799 375 L CB -0.128 41.894 42.059 -0.062 0.000 0.925 375 L HN -0.442 7.652 8.230 -0.009 0.130 0.446 376 I N -0.470 120.108 120.570 0.012 0.000 2.277 376 I HA -0.446 nan 4.170 nan 0.000 0.243 376 I C 1.494 177.630 176.117 0.033 0.000 1.094 376 I CA 4.342 65.652 61.300 0.016 0.000 1.393 376 I CB -0.108 37.912 38.000 0.034 0.000 1.078 376 I HN -0.654 7.442 8.210 0.021 0.127 0.417 377 V N -0.197 119.753 119.914 0.059 0.000 2.380 377 V HA -0.556 nan 4.120 nan 0.000 0.251 377 V C 1.877 178.020 176.094 0.083 0.000 1.063 377 V CA 4.473 66.832 62.300 0.099 0.000 1.055 377 V CB -1.484 30.391 31.823 0.088 0.000 0.657 377 V HN -0.381 7.843 8.190 0.055 0.000 0.455 378 K N -0.868 119.554 120.400 0.037 0.000 2.097 378 K HA -0.275 nan 4.320 nan 0.000 0.205 378 K C 2.292 178.894 176.600 0.004 0.000 1.050 378 K CA 3.330 59.627 56.287 0.016 0.000 0.938 378 K CB -0.344 32.155 32.500 -0.002 0.000 0.718 378 K HN -0.306 7.951 8.250 0.029 0.010 0.442 379 G N -2.221 106.570 108.800 -0.015 0.000 2.448 379 G HA2 -0.188 nan 3.960 nan 0.000 0.218 379 G HA3 -0.188 nan 3.960 nan 0.000 0.218 379 G C 1.229 176.083 174.900 -0.077 0.000 1.135 379 G CA 1.637 46.706 45.100 -0.052 0.000 0.784 379 G HN -0.580 7.623 8.290 -0.012 0.079 0.543 380 M N 1.895 121.471 119.600 -0.040 0.000 2.123 380 M HA -0.201 nan 4.480 nan 0.000 0.263 380 M C 1.057 177.393 176.300 0.061 0.000 1.069 380 M CA 1.728 57.000 55.300 -0.048 0.000 1.133 380 M CB -0.267 32.317 32.600 -0.027 0.000 1.356 380 M HN -0.394 7.894 8.290 -0.003 0.000 0.415 381 E N -0.981 119.316 120.200 0.162 0.000 2.108 381 E HA -0.424 nan 4.350 nan 0.000 0.203 381 E C 2.541 179.183 176.600 0.070 0.000 1.022 381 E CA 3.460 59.950 56.400 0.150 0.000 0.823 381 E CB -0.521 29.229 29.700 0.083 0.000 0.744 381 E HN -0.360 8.100 8.360 0.167 0.000 0.456 382 G N -2.100 106.719 108.800 0.031 0.000 2.394 382 G HA2 -0.252 nan 3.960 nan 0.000 0.214 382 G HA3 -0.252 nan 3.960 nan 0.000 0.214 382 G C 0.772 175.682 174.900 0.017 0.000 1.176 382 G CA 1.173 46.280 45.100 0.012 0.000 0.786 382 G HN -0.658 7.646 8.290 0.024 0.000 0.533 383 A N 2.067 124.892 122.820 0.007 0.000 1.851 383 A HA -0.327 nan 4.320 nan 0.000 0.216 383 A C 2.035 179.690 177.584 0.118 0.000 1.195 383 A CA 2.845 54.915 52.037 0.055 0.000 0.622 383 A CB -0.565 18.427 19.000 -0.013 0.000 0.831 383 A HN -0.810 7.322 8.150 -0.030 0.000 0.444 384 I N -3.475 117.160 120.570 0.110 0.000 2.454 384 I HA -0.500 nan 4.170 nan 0.000 0.254 384 I C 1.707 177.825 176.117 0.002 0.000 1.156 384 I CA 2.826 64.153 61.300 0.046 0.000 1.433 384 I CB -0.298 37.689 38.000 -0.021 0.000 1.082 384 I HN -0.441 7.826 8.210 0.095 0.000 0.432 385 N N -0.314 118.394 118.700 0.012 0.000 2.331 385 N HA -0.137 nan 4.740 nan 0.000 0.180 385 N C 0.981 176.497 175.510 0.010 0.000 1.019 385 N CA 1.711 54.761 53.050 -0.000 0.000 0.881 385 N CB 0.308 38.796 38.487 0.002 0.000 0.972 385 N HN -0.504 7.884 8.380 0.029 0.009 0.435 386 A N -2.219 120.615 122.820 0.024 0.000 2.308 386 A HA 0.127 nan 4.320 nan 0.000 0.217 386 A C -0.515 177.092 177.584 0.038 0.000 1.216 386 A CA -0.431 51.623 52.037 0.028 0.000 0.864 386 A CB 0.331 19.348 19.000 0.028 0.000 0.902 386 A HN -0.468 7.702 8.150 0.032 0.000 0.499 387 K N -6.320 114.105 120.400 0.043 0.000 3.529 387 K HA -0.348 nan 4.320 nan 0.000 0.313 387 K C -0.963 175.687 176.600 0.083 0.000 1.316 387 K CA 1.436 57.752 56.287 0.048 0.000 0.988 387 K CB -1.765 30.754 32.500 0.032 0.000 1.252 387 K HN -0.282 7.896 8.250 0.037 0.095 0.438 388 T N -3.443 111.174 114.554 0.105 0.000 3.121 388 T HA -0.053 nan 4.350 nan 0.000 0.256 388 T C 0.347 175.178 174.700 0.219 0.000 0.942 388 T CA 0.180 62.360 62.100 0.134 0.000 1.158 388 T CB -1.432 67.504 68.868 0.114 0.000 0.963 388 T HN -0.217 7.996 8.240 0.090 0.081 0.660 389 V N -0.809 119.194 119.914 0.148 0.000 3.019 389 V HA 0.505 nan 4.120 nan 0.000 0.317 389 V C -0.795 175.258 176.094 -0.069 0.000 1.094 389 V CA -3.010 59.333 62.300 0.070 0.000 1.000 389 V CB 2.890 34.820 31.823 0.178 0.000 1.060 389 V HN -0.509 7.747 8.190 0.109 0.000 0.443 390 T N -2.913 111.461 114.554 -0.300 0.000 2.770 390 T HA 0.284 nan 4.350 nan 0.000 0.281 390 T C 1.083 175.689 174.700 -0.156 0.000 0.981 390 T CA -0.450 61.509 62.100 -0.235 0.000 0.955 390 T CB 1.244 69.881 68.868 -0.385 0.000 1.060 390 T HN -0.429 7.487 8.240 -0.540 0.000 0.531 391 Y N 0.899 121.108 120.300 -0.152 0.000 2.096 391 Y HA -0.585 nan 4.550 nan 0.000 0.278 391 Y C 0.555 176.375 175.900 -0.132 0.000 1.192 391 Y CA 3.339 61.380 58.100 -0.099 0.000 1.143 391 Y CB -0.680 37.745 38.460 -0.058 0.000 0.963 391 Y HN 0.250 8.592 8.280 0.103 0.000 0.505 392 D N -1.473 118.256 120.400 -1.118 0.000 2.312 392 D HA -0.345 nan 4.640 nan 0.000 0.211 392 D C 0.882 176.854 176.300 -0.546 0.000 0.964 392 D CA 2.008 55.298 54.000 -1.184 0.000 0.877 392 D CB -0.910 39.194 40.800 -1.159 0.000 0.924 392 D HN 0.051 7.871 8.370 -0.884 0.020 0.515 393 F N -0.230 119.529 119.950 -0.318 0.000 2.243 393 F HA 0.069 nan 4.527 nan 0.000 0.287 393 F C 1.741 177.461 175.800 -0.132 0.000 1.067 393 F CA 0.761 58.647 58.000 -0.190 0.000 1.304 393 F CB 1.335 40.237 39.000 -0.163 0.000 1.087 393 F HN -0.633 7.376 8.300 -0.410 0.045 0.513 394 E N -0.877 119.364 120.200 0.068 0.000 2.338 394 E HA -0.305 nan 4.350 nan 0.000 0.197 394 E C 2.519 179.127 176.600 0.013 0.000 1.007 394 E CA 2.271 58.694 56.400 0.038 0.000 0.849 394 E CB -0.810 28.913 29.700 0.039 0.000 0.774 394 E HN -0.431 7.958 8.360 0.049 0.000 0.506 395 R N 0.142 120.624 120.500 -0.030 0.000 2.395 395 R HA -0.176 nan 4.340 nan 0.000 0.202 395 R C -0.292 175.998 176.300 -0.017 0.000 1.088 395 R CA 1.901 57.988 56.100 -0.022 0.000 1.090 395 R CB -0.398 29.862 30.300 -0.066 0.000 0.876 395 R HN -0.397 7.820 8.270 -0.088 0.000 0.477 396 L N -3.366 117.860 121.223 0.006 0.000 4.070 396 L HA 0.087 nan 4.340 nan 0.000 0.398 396 L C -1.939 174.952 176.870 0.036 0.000 1.215 396 L CA -0.215 54.640 54.840 0.024 0.000 1.332 396 L CB 1.570 43.650 42.059 0.036 0.000 1.499 396 L HN -0.642 7.484 8.230 0.015 0.113 0.613 397 M N -0.801 118.820 119.600 0.035 0.000 2.578 397 M HA 0.127 nan 4.480 nan 0.000 0.276 397 M C -2.123 174.193 176.300 0.027 0.000 1.245 397 M CA -0.181 55.138 55.300 0.031 0.000 0.871 397 M CB 3.113 35.734 32.600 0.037 0.000 1.722 397 M HN -0.578 7.618 8.290 0.031 0.112 0.473 398 D N 1.658 122.070 120.400 0.021 0.000 2.177 398 D HA 0.195 nan 4.640 nan 0.000 0.247 398 D C 0.791 177.103 176.300 0.020 0.000 1.063 398 D CA 0.501 54.513 54.000 0.020 0.000 0.867 398 D CB 0.774 41.584 40.800 0.016 0.000 1.168 398 D HN 0.214 8.594 8.370 0.016 0.000 0.445 399 G N 2.701 111.514 108.800 0.023 0.000 2.149 399 G HA2 -0.346 nan 3.960 nan 0.000 0.235 399 G HA3 -0.346 nan 3.960 nan 0.000 0.235 399 G C -1.538 173.380 174.900 0.030 0.000 1.018 399 G CA 0.048 45.162 45.100 0.024 0.000 0.728 399 G HN 0.448 8.753 8.290 0.024 0.000 0.508 400 A N -1.249 121.593 122.820 0.037 0.000 2.312 400 A HA 0.165 nan 4.320 nan 0.000 0.326 400 A C -0.587 177.022 177.584 0.043 0.000 1.172 400 A CA -1.026 51.038 52.037 0.045 0.000 0.821 400 A CB 1.411 20.444 19.000 0.056 0.000 1.166 400 A HN -0.364 7.807 8.150 0.036 0.000 0.493 401 K N 1.164 121.592 120.400 0.046 0.000 2.383 401 K HA -0.159 nan 4.320 nan 0.000 0.286 401 K C -0.961 175.668 176.600 0.048 0.000 1.051 401 K CA -0.002 56.311 56.287 0.043 0.000 0.974 401 K CB 0.288 32.814 32.500 0.043 0.000 0.968 401 K HN 0.144 8.425 8.250 0.052 0.000 0.475 402 L N 4.399 125.647 121.223 0.041 0.000 2.562 402 L HA -0.103 nan 4.340 nan 0.000 0.271 402 L C -0.779 176.118 176.870 0.045 0.000 1.167 402 L CA 1.076 55.941 54.840 0.042 0.000 0.917 402 L CB 0.334 42.416 42.059 0.037 0.000 1.187 402 L HN 0.248 8.500 8.230 0.037 0.000 0.482 403 L N 6.859 128.112 121.223 0.049 0.000 2.476 403 L HA 0.342 nan 4.340 nan 0.000 0.269 403 L C -2.004 174.895 176.870 0.048 0.000 0.965 403 L CA -0.587 54.288 54.840 0.058 0.000 0.845 403 L CB 2.450 44.558 42.059 0.082 0.000 1.259 403 L HN -0.192 8.066 8.230 0.046 0.000 0.403 404 K N 3.465 123.894 120.400 0.048 0.000 2.427 404 K HA 0.221 nan 4.320 nan 0.000 0.252 404 K C 0.194 176.826 176.600 0.053 0.000 0.931 404 K CA -1.079 55.231 56.287 0.038 0.000 0.793 404 K CB 2.231 34.752 32.500 0.035 0.000 1.211 404 K HN 0.231 8.511 8.250 0.051 0.000 0.426 405 C N 3.410 122.742 119.300 0.053 0.000 5.861 405 C HA -0.394 nan 4.460 nan 0.000 0.327 405 C C 0.619 175.678 174.990 0.114 0.000 2.426 405 C CA 2.093 61.161 59.018 0.083 0.000 2.195 405 C CB -0.294 27.476 27.740 0.050 0.000 3.229 405 C HN 1.147 9.390 8.230 0.021 0.000 0.261 406 S N -0.808 114.938 115.700 0.078 0.000 2.694 406 S HA 0.208 nan 4.470 nan 0.000 0.211 406 S C -0.999 173.637 174.600 0.060 0.000 1.328 406 S CA 1.521 59.758 58.200 0.062 0.000 1.236 406 S CB -1.131 62.090 63.200 0.035 0.000 1.121 406 S HN -0.291 8.220 8.310 0.059 -0.166 0.517 407 E N 0.279 120.535 120.200 0.093 0.000 2.521 407 E HA -0.023 nan 4.350 nan 0.000 0.199 407 E C -0.594 176.092 176.600 0.143 0.000 1.006 407 E CA 1.313 57.767 56.400 0.090 0.000 1.630 407 E CB 0.578 30.327 29.700 0.081 0.000 2.725 407 E HN -0.572 7.780 8.360 0.133 0.087 1.103 408 F N 0.898 120.856 119.950 0.013 0.000 2.163 408 F HA -0.122 nan 4.527 nan 0.000 0.297 408 F C 1.469 177.274 175.800 0.008 0.000 1.094 408 F CA 2.639 60.647 58.000 0.014 0.000 1.290 408 F CB -0.002 39.006 39.000 0.013 0.000 1.017 408 F HN -0.157 8.308 8.300 0.276 0.000 0.483 409 G N -0.597 108.247 108.800 0.072 0.000 2.628 409 G HA2 -0.494 nan 3.960 nan 0.000 0.217 409 G HA3 -0.494 nan 3.960 nan 0.000 0.217 409 G C 0.727 175.593 174.900 -0.056 0.000 1.240 409 G CA 2.567 47.655 45.100 -0.020 0.000 0.792 409 G HN -0.348 8.044 8.290 0.170 0.000 0.593 410 D N 2.577 122.967 120.400 -0.017 0.000 2.248 410 D HA -0.338 nan 4.640 nan 0.000 0.189 410 D C 2.174 178.446 176.300 -0.048 0.000 1.011 410 D CA 3.493 57.480 54.000 -0.021 0.000 0.868 410 D CB -0.457 40.346 40.800 0.005 0.000 0.931 410 D HN 0.167 8.542 8.370 0.008 0.000 0.449 411 A N -2.734 120.049 122.820 -0.061 0.000 2.167 411 A HA -0.074 nan 4.320 nan 0.000 0.214 411 A C 1.595 179.073 177.584 -0.177 0.000 1.151 411 A CA 1.974 53.961 52.037 -0.084 0.000 0.735 411 A CB -0.558 18.424 19.000 -0.030 0.000 0.802 411 A HN -0.460 7.585 8.150 -0.034 0.084 0.467 412 I N -0.958 119.454 120.570 -0.263 0.000 2.252 412 I HA -0.361 nan 4.170 nan 0.000 0.245 412 I C 1.964 178.002 176.117 -0.132 0.000 1.102 412 I CA 1.797 62.942 61.300 -0.259 0.000 1.385 412 I CB -0.630 37.199 38.000 -0.286 0.000 1.064 412 I HN -0.367 7.578 8.210 -0.273 0.101 0.414 413 I N -0.417 120.094 120.570 -0.098 0.000 2.361 413 I HA -0.530 nan 4.170 nan 0.000 0.251 413 I C 1.919 178.006 176.117 -0.049 0.000 1.133 413 I CA 3.702 64.966 61.300 -0.060 0.000 1.413 413 I CB -0.530 37.445 38.000 -0.042 0.000 1.073 413 I HN -0.772 7.374 8.210 -0.108 0.000 0.424 414 E N -1.380 118.790 120.200 -0.050 0.000 2.233 414 E HA -0.392 nan 4.350 nan 0.000 0.199 414 E C 0.778 177.358 176.600 -0.033 0.000 1.004 414 E CA 2.369 58.749 56.400 -0.034 0.000 0.819 414 E CB -0.302 29.382 29.700 -0.027 0.000 0.738 414 E HN -0.321 7.922 8.360 -0.059 0.082 0.478 415 N N -2.887 115.788 118.700 -0.043 0.000 2.321 415 N HA 0.145 nan 4.740 nan 0.000 0.242 415 N C -1.249 174.242 175.510 -0.032 0.000 1.141 415 N CA 0.219 53.248 53.050 -0.034 0.000 0.864 415 N CB 0.694 39.158 38.487 -0.037 0.000 1.100 415 N HN -0.334 7.850 8.380 -0.059 0.161 0.510 416 M N 0.000 119.579 119.600 -0.035 0.000 2.572 416 M HA 0.000 nan 4.480 nan 0.000 0.227 416 M CA 0.000 55.278 55.300 -0.036 0.000 0.988 416 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 416 M HN 0.000 8.182 8.290 -0.034 0.087 0.411