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 2vdd_1_C DATA FIRST_RESID 23 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GFSVGTETIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPEL 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.652 176.600 0.087 0.000 1.382 23 E CA 0.000 56.475 56.400 0.125 0.000 0.976 23 E CB 0.000 29.758 29.700 0.097 0.000 0.812 24 N N 1.342 120.072 118.700 0.049 0.000 2.444 24 N HA 0.043 4.782 4.740 -0.001 0.000 0.255 24 N C 1.171 176.582 175.510 -0.164 0.000 1.255 24 N CA 0.171 53.217 53.050 -0.007 0.000 0.933 24 N CB 0.689 39.168 38.487 -0.014 0.000 1.143 24 N HN 0.152 nan 8.380 nan 0.000 0.453 25 L N 3.032 124.000 121.223 -0.426 0.000 1.989 25 L HA -0.068 4.271 4.340 -0.001 0.000 0.211 25 L C 2.066 178.684 176.870 -0.420 0.000 1.071 25 L CA 1.889 56.191 54.840 -0.896 0.000 0.749 25 L CB -0.830 40.593 42.059 -1.059 0.000 0.890 25 L HN 0.892 nan 8.230 nan 0.000 0.431 26 M N -1.150 118.314 119.600 -0.226 0.000 2.132 26 M HA -0.250 4.229 4.480 -0.001 0.000 0.263 26 M C 2.388 178.695 176.300 0.012 0.000 1.065 26 M CA 1.924 57.182 55.300 -0.070 0.000 1.122 26 M CB -0.259 32.310 32.600 -0.051 0.000 1.365 26 M HN 0.488 nan 8.290 nan 0.000 0.411 27 Q N -0.442 119.346 119.800 -0.020 0.000 2.133 27 Q HA -0.212 4.128 4.340 -0.001 0.000 0.208 27 Q C 1.760 177.790 176.000 0.049 0.000 0.991 27 Q CA 2.434 58.250 55.803 0.023 0.000 0.867 27 Q CB -0.150 28.606 28.738 0.029 0.000 0.911 27 Q HN 0.514 nan 8.270 nan 0.000 0.417 28 V N -0.182 119.725 119.914 -0.012 0.000 2.323 28 V HA -0.244 3.876 4.120 -0.001 0.000 0.244 28 V C 1.924 178.038 176.094 0.034 0.000 1.041 28 V CA 1.921 64.213 62.300 -0.014 0.000 1.025 28 V CB -0.814 30.860 31.823 -0.249 0.000 0.656 28 V HN 0.502 nan 8.190 nan 0.000 0.451 29 Y N 1.221 121.453 120.300 -0.113 0.000 2.165 29 Y HA -0.279 4.271 4.550 -0.001 0.000 0.286 29 Y C 2.695 178.577 175.900 -0.031 0.000 1.155 29 Y CA 1.828 59.880 58.100 -0.080 0.000 1.164 29 Y CB -0.264 38.128 38.460 -0.113 0.000 0.978 29 Y HN 0.261 nan 8.280 nan 0.000 0.513 30 Q N 0.400 120.167 119.800 -0.056 0.000 2.077 30 Q HA -0.287 4.052 4.340 -0.001 0.000 0.206 30 Q C 2.150 178.061 176.000 -0.149 0.000 0.989 30 Q CA 2.394 58.129 55.803 -0.114 0.000 0.853 30 Q CB -0.574 28.166 28.738 0.004 0.000 0.907 30 Q HN 0.698 nan 8.270 nan 0.000 0.418 31 Q N 0.086 119.848 119.800 -0.063 0.000 2.083 31 Q HA -0.027 4.313 4.340 -0.001 0.000 0.198 31 Q C 2.153 178.114 176.000 -0.065 0.000 0.969 31 Q CA 1.184 56.968 55.803 -0.032 0.000 0.838 31 Q CB -0.230 28.536 28.738 0.046 0.000 0.900 31 Q HN 0.398 nan 8.270 nan 0.000 0.436 32 A N 1.523 124.289 122.820 -0.089 0.000 1.883 32 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 32 A C 2.064 179.539 177.584 -0.182 0.000 1.186 32 A CA 1.638 53.613 52.037 -0.103 0.000 0.624 32 A CB -0.578 18.370 19.000 -0.087 0.000 0.822 32 A HN 0.234 nan 8.150 nan 0.000 0.444 33 R N -0.195 120.085 120.500 -0.367 0.000 2.105 33 R HA -0.152 4.188 4.340 -0.001 0.000 0.239 33 R C 1.702 177.902 176.300 -0.166 0.000 1.135 33 R CA 1.854 57.734 56.100 -0.367 0.000 0.967 33 R CB -0.404 29.530 30.300 -0.610 0.000 0.861 33 R HN 0.609 nan 8.270 nan 0.000 0.442 34 L N -1.632 119.514 121.223 -0.127 0.000 2.592 34 L HA 0.274 4.614 4.340 -0.001 0.000 0.227 34 L C 1.347 178.193 176.870 -0.039 0.000 1.127 34 L CA 0.688 55.489 54.840 -0.065 0.000 0.884 34 L CB 0.802 42.828 42.059 -0.054 0.000 1.065 34 L HN 0.028 nan 8.230 nan 0.000 0.457 35 S N -2.691 112.985 115.700 -0.041 0.000 2.679 35 S HA 0.144 4.613 4.470 -0.001 0.000 0.258 35 S C 0.686 175.279 174.600 -0.012 0.000 1.068 35 S CA -0.495 57.693 58.200 -0.021 0.000 1.115 35 S CB -0.544 62.646 63.200 -0.017 0.000 1.078 35 S HN 0.390 nan 8.310 nan 0.000 0.603 36 N N 4.143 122.832 118.700 -0.019 0.000 2.411 36 N HA 0.087 4.826 4.740 -0.001 0.000 0.265 36 N C -1.498 174.019 175.510 0.012 0.000 1.266 36 N CA -0.616 52.431 53.050 -0.005 0.000 0.889 36 N CB 1.314 39.793 38.487 -0.013 0.000 1.069 36 N HN 0.202 nan 8.380 nan 0.000 0.476 37 P HA -0.020 nan 4.420 nan 0.000 0.222 37 P C 0.544 177.863 177.300 0.031 0.000 1.153 37 P CA 0.965 64.078 63.100 0.021 0.000 0.798 37 P CB 0.557 32.267 31.700 0.018 0.000 0.796 38 E N -0.058 120.161 120.200 0.032 0.000 2.047 38 E HA -0.106 4.244 4.350 -0.001 0.000 0.191 38 E C 1.970 178.605 176.600 0.058 0.000 0.987 38 E CA 0.704 57.127 56.400 0.039 0.000 0.799 38 E CB -1.074 28.645 29.700 0.032 0.000 0.752 38 E HN 0.087 nan 8.360 nan 0.000 0.449 39 L N 0.496 121.753 121.223 0.057 0.000 2.141 39 L HA -0.079 4.261 4.340 -0.001 0.000 0.209 39 L C 1.788 178.751 176.870 0.155 0.000 1.094 39 L CA 1.616 56.512 54.840 0.093 0.000 0.763 39 L CB 0.040 42.132 42.059 0.055 0.000 0.908 39 L HN -0.065 nan 8.230 nan 0.000 0.437 40 R N -0.933 119.623 120.500 0.094 0.000 2.161 40 R HA -0.086 4.254 4.340 -0.001 0.000 0.213 40 R C 2.115 178.452 176.300 0.061 0.000 1.055 40 R CA 0.833 56.979 56.100 0.077 0.000 0.996 40 R CB -0.118 30.206 30.300 0.041 0.000 0.901 40 R HN 0.187 nan 8.270 nan 0.000 0.456 41 K N 0.787 121.223 120.400 0.061 0.000 2.057 41 K HA -0.068 4.252 4.320 -0.001 0.000 0.206 41 K C 2.087 178.731 176.600 0.073 0.000 1.050 41 K CA 1.873 58.191 56.287 0.053 0.000 0.935 41 K CB -0.390 32.137 32.500 0.046 0.000 0.715 41 K HN -0.040 nan 8.250 nan 0.000 0.439 42 S N -0.234 115.537 115.700 0.119 0.000 2.353 42 S HA -0.161 4.308 4.470 -0.001 0.000 0.222 42 S C 2.044 176.742 174.600 0.163 0.000 1.035 42 S CA 1.584 59.894 58.200 0.183 0.000 1.025 42 S CB -0.785 62.575 63.200 0.267 0.000 0.902 42 S HN 0.495 nan 8.310 nan 0.000 0.440 43 A N 1.390 124.289 122.820 0.131 0.000 1.917 43 A HA 0.071 4.390 4.320 -0.001 0.000 0.219 43 A C 2.470 179.968 177.584 -0.143 0.000 1.182 43 A CA 2.153 54.063 52.037 -0.211 0.000 0.633 43 A CB -1.416 17.494 19.000 -0.149 0.000 0.819 43 A HN 0.836 nan 8.150 nan 0.000 0.448 44 A N -0.210 122.586 122.820 -0.040 0.000 1.930 44 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 44 A C 1.734 179.317 177.584 -0.002 0.000 1.175 44 A CA 1.793 53.816 52.037 -0.024 0.000 0.627 44 A CB -0.533 18.465 19.000 -0.002 0.000 0.815 44 A HN 0.454 nan 8.150 nan 0.000 0.443 45 D N -0.665 119.747 120.400 0.019 0.000 2.144 45 D HA -0.139 4.500 4.640 -0.001 0.000 0.199 45 D C 2.028 178.359 176.300 0.052 0.000 0.984 45 D CA 1.006 55.029 54.000 0.038 0.000 0.834 45 D CB -0.321 40.512 40.800 0.055 0.000 0.955 45 D HN 0.439 nan 8.370 nan 0.000 0.465 46 R N 0.579 121.102 120.500 0.039 0.000 2.148 46 R HA -0.099 4.240 4.340 -0.001 0.000 0.223 46 R C 0.859 177.257 176.300 0.163 0.000 1.088 46 R CA 0.986 57.141 56.100 0.093 0.000 0.985 46 R CB 0.186 30.470 30.300 -0.027 0.000 0.880 46 R HN 0.111 nan 8.270 nan 0.000 0.451 47 D N 0.116 120.541 120.400 0.042 0.000 2.162 47 D HA -0.042 4.598 4.640 -0.001 0.000 0.203 47 D C 1.703 178.060 176.300 0.096 0.000 0.967 47 D CA 1.097 55.124 54.000 0.046 0.000 0.840 47 D CB -0.119 40.660 40.800 -0.035 0.000 0.972 47 D HN 0.256 nan 8.370 nan 0.000 0.482 48 A N 1.603 124.461 122.820 0.064 0.000 1.877 48 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 48 A C 2.374 179.995 177.584 0.062 0.000 1.186 48 A CA 2.295 54.363 52.037 0.052 0.000 0.620 48 A CB -0.826 18.192 19.000 0.031 0.000 0.822 48 A HN 0.222 nan 8.150 nan 0.000 0.443 49 A N -1.182 121.681 122.820 0.071 0.000 1.892 49 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 49 A C 2.009 179.570 177.584 -0.039 0.000 1.188 49 A CA 1.846 53.889 52.037 0.010 0.000 0.631 49 A CB -0.807 18.195 19.000 0.003 0.000 0.822 49 A HN 0.498 nan 8.150 nan 0.000 0.447 50 F N -0.628 119.313 119.950 -0.014 0.000 2.163 50 F HA -0.038 4.488 4.527 -0.001 0.000 0.297 50 F C 2.379 178.173 175.800 -0.010 0.000 1.094 50 F CA 1.593 59.586 58.000 -0.012 0.000 1.290 50 F CB -0.247 38.741 39.000 -0.020 0.000 1.017 50 F HN 0.285 nan 8.300 nan 0.000 0.483 51 E N 0.955 121.253 120.200 0.164 0.000 2.153 51 E HA -0.224 4.126 4.350 -0.001 0.000 0.194 51 E C 1.950 178.575 176.600 0.042 0.000 0.988 51 E CA 1.235 57.686 56.400 0.084 0.000 0.811 51 E CB -0.278 29.456 29.700 0.056 0.000 0.746 51 E HN 0.214 nan 8.360 nan 0.000 0.466 52 K N -0.154 120.259 120.400 0.022 0.000 2.360 52 K HA -0.066 4.253 4.320 -0.001 0.000 0.201 52 K C 1.783 178.372 176.600 -0.017 0.000 1.046 52 K CA 0.895 57.178 56.287 -0.006 0.000 0.945 52 K CB -0.142 32.346 32.500 -0.019 0.000 0.750 52 K HN 0.229 nan 8.250 nan 0.000 0.464 53 I N 1.203 121.763 120.570 -0.016 0.000 2.361 53 I HA -0.298 3.871 4.170 -0.001 0.000 0.251 53 I C 1.833 177.949 176.117 -0.002 0.000 1.133 53 I CA 0.902 62.193 61.300 -0.017 0.000 1.413 53 I CB -0.264 37.731 38.000 -0.009 0.000 1.073 53 I HN 0.223 nan 8.210 nan 0.000 0.424 54 N N 0.452 119.157 118.700 0.009 0.000 2.244 54 N HA -0.197 4.542 4.740 -0.001 0.000 0.183 54 N C 1.796 177.298 175.510 -0.013 0.000 1.016 54 N CA 1.103 54.155 53.050 0.004 0.000 0.866 54 N CB -0.067 38.427 38.487 0.013 0.000 0.980 54 N HN 0.502 nan 8.380 nan 0.000 0.430 55 E N 0.815 121.006 120.200 -0.015 0.000 2.072 55 E HA -0.015 4.335 4.350 -0.001 0.000 0.190 55 E C 1.782 178.359 176.600 -0.038 0.000 0.982 55 E CA 0.619 57.004 56.400 -0.025 0.000 0.803 55 E CB 0.076 29.764 29.700 -0.020 0.000 0.755 55 E HN 0.258 nan 8.360 nan 0.000 0.453 56 A N 1.317 124.115 122.820 -0.037 0.000 2.015 56 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 56 A C 2.128 179.671 177.584 -0.068 0.000 1.163 56 A CA 1.213 53.222 52.037 -0.047 0.000 0.646 56 A CB -0.426 18.552 19.000 -0.037 0.000 0.806 56 A HN 0.151 nan 8.150 nan 0.000 0.448 57 R N -0.021 120.443 120.500 -0.060 0.000 2.148 57 R HA -0.094 4.246 4.340 -0.001 0.000 0.223 57 R C 2.388 178.617 176.300 -0.119 0.000 1.088 57 R CA 1.410 57.457 56.100 -0.087 0.000 0.985 57 R CB -0.301 29.972 30.300 -0.044 0.000 0.880 57 R HN 0.550 nan 8.270 nan 0.000 0.451 58 S N 1.130 116.779 115.700 -0.086 0.000 2.393 58 S HA -0.120 4.350 4.470 -0.001 0.000 0.235 58 S C -0.897 173.637 174.600 -0.109 0.000 1.061 58 S CA 1.791 59.942 58.200 -0.081 0.000 1.129 58 S CB -1.039 62.126 63.200 -0.060 0.000 1.011 58 S HN 0.289 nan 8.310 nan 0.000 0.436 59 P HA 0.061 nan 4.420 nan 0.000 0.222 59 P C 1.303 178.487 177.300 -0.193 0.000 1.147 59 P CA 0.790 63.805 63.100 -0.141 0.000 0.790 59 P CB -0.200 31.416 31.700 -0.140 0.000 0.780 60 L N -2.124 118.937 121.223 -0.270 0.000 2.217 60 L HA -0.046 4.294 4.340 -0.001 0.000 0.211 60 L C 1.201 177.949 176.870 -0.203 0.000 1.107 60 L CA 0.453 55.077 54.840 -0.360 0.000 0.783 60 L CB -0.619 41.062 42.059 -0.629 0.000 0.919 60 L HN 0.012 nan 8.230 nan 0.000 0.442 61 L N -0.212 120.928 121.223 -0.139 0.000 2.475 61 L HA 0.268 4.608 4.340 -0.001 0.000 0.253 61 L C -1.919 174.913 176.870 -0.063 0.000 1.198 61 L CA -1.808 52.986 54.840 -0.078 0.000 0.814 61 L CB -0.609 41.416 42.059 -0.057 0.000 1.134 61 L HN -0.202 nan 8.230 nan 0.000 0.478 62 P HA 0.123 nan 4.420 nan 0.000 0.272 62 P C -1.041 176.239 177.300 -0.033 0.000 1.230 62 P CA -0.302 62.779 63.100 -0.031 0.000 0.788 62 P CB 0.455 32.145 31.700 -0.017 0.000 0.949 63 Q N 1.485 121.267 119.800 -0.031 0.000 2.320 63 Q HA 0.448 4.787 4.340 -0.001 0.000 0.268 63 Q C -1.081 174.906 176.000 -0.021 0.000 1.023 63 Q CA -0.742 55.044 55.803 -0.029 0.000 0.744 63 Q CB 2.067 30.784 28.738 -0.035 0.000 1.246 63 Q HN 0.321 nan 8.270 nan 0.000 0.462 64 L N 1.340 122.552 121.223 -0.017 0.000 2.325 64 L HA 0.890 5.229 4.340 -0.001 0.000 0.278 64 L C -0.201 176.662 176.870 -0.012 0.000 1.023 64 L CA 0.003 54.836 54.840 -0.013 0.000 0.811 64 L CB 1.997 44.051 42.059 -0.010 0.000 1.249 64 L HN 0.675 nan 8.230 nan 0.000 0.431 65 G N 3.863 112.657 108.800 -0.010 0.000 2.702 65 G HA2 0.487 4.447 3.960 -0.001 0.000 0.296 65 G HA3 0.487 4.447 3.960 -0.001 0.000 0.296 65 G C -2.485 172.412 174.900 -0.006 0.000 1.463 65 G CA -0.631 44.464 45.100 -0.008 0.000 0.890 65 G HN 0.740 nan 8.290 nan 0.000 0.534 66 L N 1.304 122.525 121.223 -0.004 0.000 2.346 66 L HA 0.951 5.291 4.340 -0.001 0.000 0.276 66 L C 0.342 177.212 176.870 0.000 0.000 1.006 66 L CA -0.283 54.556 54.840 -0.001 0.000 0.817 66 L CB 1.989 44.047 42.059 -0.001 0.000 1.272 66 L HN 0.904 nan 8.230 nan 0.000 0.421 67 G N 2.692 111.493 108.800 0.002 0.000 2.672 67 G HA2 0.862 4.822 3.960 -0.001 0.000 0.292 67 G HA3 0.862 4.822 3.960 -0.001 0.000 0.292 67 G C -2.017 172.889 174.900 0.010 0.000 1.375 67 G CA -0.217 44.886 45.100 0.005 0.000 0.890 67 G HN 0.955 nan 8.290 nan 0.000 0.476 68 A N 0.441 123.270 122.820 0.016 0.000 2.589 68 A HA 0.801 5.121 4.320 -0.001 0.000 0.296 68 A C -1.842 175.765 177.584 0.037 0.000 1.062 68 A CA -0.750 51.303 52.037 0.025 0.000 0.686 68 A CB 1.829 20.843 19.000 0.024 0.000 1.282 68 A HN 0.590 nan 8.150 nan 0.000 0.404 69 D N 0.242 120.673 120.400 0.052 0.000 2.857 69 D HA 0.463 5.103 4.640 -0.001 0.000 0.227 69 D C -1.793 174.581 176.300 0.123 0.000 1.192 69 D CA 0.008 54.047 54.000 0.066 0.000 0.857 69 D CB 2.384 43.201 40.800 0.029 0.000 1.645 69 D HN 0.538 nan 8.370 nan 0.000 0.482 70 Y N 0.175 120.477 120.300 0.004 0.000 2.462 70 Y HA 0.525 5.074 4.550 -0.002 0.000 0.346 70 Y C -1.357 174.555 175.900 0.019 0.000 0.976 70 Y CA -0.161 57.944 58.100 0.009 0.000 1.044 70 Y CB 2.259 40.724 38.460 0.010 0.000 1.230 70 Y HN 0.219 nan 8.280 nan 0.000 0.455 71 T N 5.919 119.954 114.554 -0.866 0.000 2.991 71 T HA 0.202 4.551 4.350 -0.001 0.000 0.303 71 T C -2.130 172.135 174.700 -0.725 0.000 1.015 71 T CA -0.481 61.199 62.100 -0.701 0.000 1.007 71 T CB 0.605 69.291 68.868 -0.302 0.000 1.034 71 T HN 0.529 nan 8.240 nan 0.000 0.446 72 Y N 2.439 122.346 120.300 -0.654 0.000 2.353 72 Y HA 0.593 5.142 4.550 -0.002 0.000 0.340 72 Y C -0.456 175.347 175.900 -0.162 0.000 0.972 72 Y CA -0.822 57.100 58.100 -0.296 0.000 1.157 72 Y CB 1.014 39.414 38.460 -0.100 0.000 1.157 72 Y HN 0.558 nan 8.280 nan 0.000 0.495 73 S N 6.945 122.218 115.700 -0.712 0.000 2.498 73 S HA 0.229 4.699 4.470 -0.001 0.000 0.324 73 S C -0.654 173.492 174.600 -0.755 0.000 1.071 73 S CA -0.960 56.888 58.200 -0.587 0.000 1.113 73 S CB 0.177 63.190 63.200 -0.311 0.000 0.976 73 S HN 0.779 nan 8.310 nan 0.000 0.462 74 N N 3.211 121.523 118.700 -0.647 0.000 2.462 74 N HA 0.258 4.998 4.740 -0.001 0.000 0.242 74 N C -0.088 175.328 175.510 -0.155 0.000 1.010 74 N CA -0.366 52.473 53.050 -0.352 0.000 0.939 74 N CB 0.841 39.231 38.487 -0.162 0.000 1.127 74 N HN 0.672 nan 8.380 nan 0.000 0.509 75 G N 2.993 111.711 108.800 -0.138 0.000 2.332 75 G HA2 0.371 4.330 3.960 -0.001 0.000 0.310 75 G HA3 0.371 4.330 3.960 -0.001 0.000 0.310 75 G C -0.784 174.092 174.900 -0.040 0.000 1.123 75 G CA -0.375 44.635 45.100 -0.150 0.000 0.873 75 G HN 0.697 nan 8.290 nan 0.000 0.460 76 Y N 1.689 121.958 120.300 -0.052 0.000 2.833 76 Y HA 0.801 5.352 4.550 0.001 0.000 0.323 76 Y C 1.163 177.046 175.900 -0.027 0.000 1.220 76 Y CA -1.397 56.682 58.100 -0.035 0.000 1.174 76 Y CB 0.593 39.038 38.460 -0.026 0.000 1.404 76 Y HN 0.624 nan 8.280 nan 0.000 0.607 77 R N -0.482 120.195 120.500 0.294 0.000 4.031 77 R HA -0.278 4.061 4.340 -0.001 0.000 0.308 77 R C 0.856 177.190 176.300 0.057 0.000 0.242 77 R CA 1.624 57.816 56.100 0.153 0.000 1.038 77 R CB -1.947 28.402 30.300 0.081 0.000 1.023 77 R HN 0.916 nan 8.270 nan 0.000 0.549 78 D N 0.727 121.137 120.400 0.017 0.000 2.289 78 D HA 0.134 4.773 4.640 -0.001 0.000 0.207 78 D C 0.660 176.958 176.300 -0.002 0.000 0.966 78 D CA 1.329 55.335 54.000 0.010 0.000 0.868 78 D CB 0.080 40.885 40.800 0.008 0.000 0.943 78 D HN 0.537 nan 8.370 nan 0.000 0.514 79 A N 0.410 123.210 122.820 -0.033 0.000 3.181 79 A HA 0.167 4.487 4.320 -0.001 0.000 0.293 79 A C 0.421 177.962 177.584 -0.072 0.000 1.346 79 A CA -0.545 51.454 52.037 -0.062 0.000 1.018 79 A CB -0.640 18.308 19.000 -0.086 0.000 1.093 79 A HN 0.134 nan 8.150 nan 0.000 0.629 80 N N 0.353 119.040 118.700 -0.022 0.000 2.524 80 N HA 0.333 5.072 4.740 -0.001 0.000 0.283 80 N C 1.001 176.503 175.510 -0.013 0.000 1.142 80 N CA 1.206 54.264 53.050 0.013 0.000 0.984 80 N CB 0.961 39.481 38.487 0.055 0.000 1.155 80 N HN 0.658 nan 8.380 nan 0.000 0.467 81 G N 2.142 110.942 108.800 -0.001 0.000 2.160 81 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.251 81 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.251 81 G C 0.105 174.979 174.900 -0.043 0.000 1.008 81 G CA 0.846 45.941 45.100 -0.008 0.000 0.724 81 G HN 0.778 nan 8.290 nan 0.000 0.514 82 I N -3.089 117.433 120.570 -0.080 0.000 2.646 82 I HA 0.834 5.003 4.170 -0.001 0.000 0.299 82 I C -0.650 175.417 176.117 -0.084 0.000 1.036 82 I CA -1.380 59.842 61.300 -0.130 0.000 1.074 82 I CB 2.095 39.904 38.000 -0.318 0.000 1.258 82 I HN -0.055 nan 8.210 nan 0.000 0.430 83 N N 3.156 121.840 118.700 -0.026 0.000 2.284 83 N HA 0.558 5.298 4.740 -0.001 0.000 0.289 83 N C -1.557 173.952 175.510 -0.000 0.000 1.179 83 N CA -0.638 52.388 53.050 -0.040 0.000 0.774 83 N CB 2.322 40.845 38.487 0.061 0.000 1.548 83 N HN 0.872 nan 8.380 nan 0.000 0.473 84 S N 0.609 116.237 115.700 -0.120 0.000 2.540 84 S HA 0.496 4.966 4.470 -0.001 0.000 0.275 84 S C -1.390 173.158 174.600 -0.088 0.000 1.123 84 S CA -0.921 57.167 58.200 -0.186 0.000 0.907 84 S CB 1.690 64.704 63.200 -0.310 0.000 1.081 84 S HN 0.390 nan 8.310 nan 0.000 0.476 85 N N 1.355 120.027 118.700 -0.047 0.000 2.400 85 N HA 0.662 5.401 4.740 -0.001 0.000 0.288 85 N C -1.105 174.374 175.510 -0.051 0.000 1.024 85 N CA -0.338 52.743 53.050 0.051 0.000 0.894 85 N CB 1.948 40.544 38.487 0.181 0.000 1.173 85 N HN 0.932 nan 8.380 nan 0.000 0.487 86 A N 1.339 124.121 122.820 -0.063 0.000 2.385 86 A HA 0.580 4.900 4.320 -0.001 0.000 0.290 86 A C -0.277 177.328 177.584 0.034 0.000 1.094 86 A CA -0.669 51.335 52.037 -0.054 0.000 0.729 86 A CB 0.608 19.545 19.000 -0.106 0.000 1.194 86 A HN 0.549 nan 8.150 nan 0.000 0.442 87 T N -0.277 114.329 114.554 0.086 0.000 2.841 87 T HA 0.852 5.201 4.350 -0.001 0.000 0.283 87 T C -0.189 174.547 174.700 0.060 0.000 1.000 87 T CA -0.178 61.998 62.100 0.127 0.000 0.977 87 T CB 1.451 70.406 68.868 0.145 0.000 0.979 87 T HN 1.655 nan 8.240 nan 0.000 0.446 88 S N 0.643 116.376 115.700 0.055 0.000 2.607 88 S HA 0.916 5.386 4.470 -0.001 0.000 0.273 88 S C -1.203 173.415 174.600 0.030 0.000 1.148 88 S CA -0.846 57.373 58.200 0.032 0.000 0.833 88 S CB 1.562 64.774 63.200 0.020 0.000 1.130 88 S HN 1.788 nan 8.310 nan 0.000 0.470 89 A N 0.905 123.737 122.820 0.020 0.000 2.547 89 A HA 0.917 5.237 4.320 -0.001 0.000 0.297 89 A C -0.520 177.070 177.584 0.010 0.000 1.056 89 A CA -0.257 51.789 52.037 0.016 0.000 0.688 89 A CB 1.319 20.327 19.000 0.014 0.000 1.282 89 A HN 2.216 nan 8.150 nan 0.000 0.400 90 S N 0.787 116.492 115.700 0.008 0.000 2.537 90 S HA 0.682 5.152 4.470 -0.001 0.000 0.270 90 S C -1.494 173.108 174.600 0.003 0.000 1.142 90 S CA -0.654 57.549 58.200 0.005 0.000 0.870 90 S CB 1.398 64.600 63.200 0.004 0.000 1.112 90 S HN 1.852 nan 8.310 nan 0.000 0.466 91 L N 2.316 123.540 121.223 0.002 0.000 2.272 91 L HA 0.568 4.907 4.340 -0.001 0.000 0.289 91 L C -0.840 176.029 176.870 -0.002 0.000 1.032 91 L CA -0.041 54.799 54.840 -0.000 0.000 0.810 91 L CB 1.135 43.194 42.059 -0.000 0.000 1.205 91 L HN 0.756 nan 8.230 nan 0.000 0.422 92 Q N 5.241 125.039 119.800 -0.004 0.000 2.322 92 Q HA 0.450 4.789 4.340 -0.001 0.000 0.265 92 Q C -1.274 174.721 176.000 -0.008 0.000 0.985 92 Q CA -0.719 55.080 55.803 -0.006 0.000 0.849 92 Q CB 2.640 31.373 28.738 -0.008 0.000 1.274 92 Q HN 0.617 nan 8.270 nan 0.000 0.449 93 L N 2.382 123.600 121.223 -0.008 0.000 2.341 93 L HA 0.600 4.940 4.340 -0.001 0.000 0.278 93 L C -0.578 176.283 176.870 -0.014 0.000 1.005 93 L CA -0.036 54.798 54.840 -0.010 0.000 0.818 93 L CB 1.918 43.973 42.059 -0.007 0.000 1.259 93 L HN 0.687 nan 8.230 nan 0.000 0.418 94 T N 1.910 116.452 114.554 -0.020 0.000 2.908 94 T HA 0.777 5.127 4.350 -0.001 0.000 0.290 94 T C -0.770 173.911 174.700 -0.030 0.000 1.034 94 T CA -0.644 61.441 62.100 -0.026 0.000 1.010 94 T CB 1.806 70.654 68.868 -0.033 0.000 1.068 94 T HN 0.677 nan 8.240 nan 0.000 0.481 95 Q N 1.078 120.858 119.800 -0.034 0.000 2.313 95 Q HA 0.470 4.810 4.340 -0.001 0.000 0.255 95 Q C -1.261 174.714 176.000 -0.043 0.000 0.944 95 Q CA -0.269 55.513 55.803 -0.034 0.000 0.881 95 Q CB 2.221 30.950 28.738 -0.015 0.000 1.375 95 Q HN 0.807 nan 8.270 nan 0.000 0.422 96 S N 5.539 121.203 115.700 -0.061 0.000 2.448 96 S HA 0.277 4.747 4.470 -0.001 0.000 0.279 96 S C 1.095 175.683 174.600 -0.019 0.000 1.195 96 S CA -0.484 57.673 58.200 -0.073 0.000 1.051 96 S CB 0.051 63.183 63.200 -0.113 0.000 0.948 96 S HN 0.663 nan 8.310 nan 0.000 0.493 97 I N 4.500 125.059 120.570 -0.019 0.000 2.206 97 I HA 0.113 4.283 4.170 -0.001 0.000 0.239 97 I C 0.573 176.838 176.117 0.247 0.000 1.078 97 I CA 1.106 62.457 61.300 0.085 0.000 1.367 97 I CB -0.950 37.086 38.000 0.060 0.000 1.078 97 I HN 0.707 nan 8.210 nan 0.000 0.413 98 F N 0.422 120.451 119.950 0.131 0.000 2.573 98 F HA 0.721 5.248 4.527 -0.000 0.000 0.316 98 F C -1.105 174.778 175.800 0.137 0.000 1.148 98 F CA -1.309 56.803 58.000 0.188 0.000 0.940 98 F CB 1.463 40.570 39.000 0.179 0.000 1.214 98 F HN -0.115 nan 8.300 nan 0.000 0.448 99 D N 5.501 126.113 120.400 0.354 0.000 2.591 99 D HA 0.181 4.821 4.640 -0.001 0.000 0.222 99 D C 0.188 176.672 176.300 0.306 0.000 1.360 99 D CA -0.309 53.813 54.000 0.205 0.000 0.967 99 D CB 1.636 42.443 40.800 0.012 0.000 1.456 99 D HN 0.571 nan 8.370 nan 0.000 0.588 100 M N 1.570 121.349 119.600 0.300 0.000 2.132 100 M HA -0.120 4.360 4.480 -0.001 0.000 0.263 100 M C 2.090 178.524 176.300 0.223 0.000 1.065 100 M CA 1.252 56.735 55.300 0.304 0.000 1.122 100 M CB -1.127 31.583 32.600 0.183 0.000 1.365 100 M HN 0.496 nan 8.290 nan 0.000 0.411 101 S N -0.101 115.669 115.700 0.116 0.000 2.399 101 S HA -0.147 4.323 4.470 -0.001 0.000 0.231 101 S C 1.872 176.492 174.600 0.033 0.000 1.022 101 S CA 1.042 59.276 58.200 0.057 0.000 0.983 101 S CB -0.471 62.735 63.200 0.011 0.000 0.803 101 S HN 0.457 nan 8.310 nan 0.000 0.480 102 K N 0.461 120.857 120.400 -0.007 0.000 2.057 102 K HA -0.055 4.264 4.320 -0.001 0.000 0.207 102 K C 1.862 178.395 176.600 -0.113 0.000 1.049 102 K CA 1.617 57.836 56.287 -0.114 0.000 0.931 102 K CB -0.299 32.060 32.500 -0.235 0.000 0.714 102 K HN 0.495 nan 8.250 nan 0.000 0.440 103 W N 1.514 122.820 121.300 0.010 0.000 2.358 103 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 103 W C 2.313 178.832 176.519 -0.001 0.000 1.208 103 W CA 0.394 57.744 57.345 0.009 0.000 1.274 103 W CB -0.026 29.445 29.460 0.019 0.000 1.138 103 W HN -0.028 nan 8.180 nan 0.000 0.515 104 R N 0.316 120.944 120.500 0.213 0.000 2.091 104 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 104 R C 2.205 178.543 176.300 0.063 0.000 1.136 104 R CA 1.561 57.727 56.100 0.112 0.000 0.959 104 R CB -1.698 28.645 30.300 0.072 0.000 0.856 104 R HN 0.261 nan 8.270 nan 0.000 0.437 105 A N 1.796 124.636 122.820 0.033 0.000 1.884 105 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 105 A C 2.247 179.832 177.584 0.002 0.000 1.197 105 A CA 1.779 53.815 52.037 -0.001 0.000 0.637 105 A CB -0.740 18.240 19.000 -0.033 0.000 0.827 105 A HN 0.256 nan 8.150 nan 0.000 0.450 106 L N -0.416 120.816 121.223 0.015 0.000 1.994 106 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 106 L C 2.488 179.382 176.870 0.040 0.000 1.071 106 L CA 2.969 57.825 54.840 0.026 0.000 0.745 106 L CB -1.288 40.803 42.059 0.052 0.000 0.892 106 L HN 0.399 nan 8.230 nan 0.000 0.431 107 T N 0.119 114.718 114.554 0.074 0.000 2.665 107 T HA -0.229 4.121 4.350 -0.001 0.000 0.268 107 T C 1.944 176.653 174.700 0.015 0.000 1.035 107 T CA 2.114 64.246 62.100 0.052 0.000 1.151 107 T CB -0.449 68.457 68.868 0.063 0.000 0.862 107 T HN 0.315 nan 8.240 nan 0.000 0.438 108 L N 0.522 121.752 121.223 0.011 0.000 2.201 108 L HA -0.069 4.271 4.340 -0.001 0.000 0.212 108 L C 2.731 179.583 176.870 -0.029 0.000 1.105 108 L CA 0.938 55.775 54.840 -0.005 0.000 0.775 108 L CB -0.311 41.748 42.059 -0.000 0.000 0.913 108 L HN 0.166 nan 8.230 nan 0.000 0.440 109 Q N 0.152 119.929 119.800 -0.037 0.000 2.163 109 Q HA -0.139 4.200 4.340 -0.001 0.000 0.198 109 Q C 1.962 177.889 176.000 -0.122 0.000 0.954 109 Q CA 1.263 57.024 55.803 -0.071 0.000 0.851 109 Q CB 0.132 28.834 28.738 -0.059 0.000 0.928 109 Q HN 0.423 nan 8.270 nan 0.000 0.459 110 E N -0.260 119.884 120.200 -0.092 0.000 2.085 110 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 110 E C 1.797 178.320 176.600 -0.129 0.000 0.994 110 E CA 1.284 57.613 56.400 -0.119 0.000 0.801 110 E CB 0.045 29.721 29.700 -0.040 0.000 0.743 110 E HN 0.087 nan 8.360 nan 0.000 0.453 111 K N 0.453 120.809 120.400 -0.073 0.000 2.057 111 K HA -0.091 4.229 4.320 -0.001 0.000 0.207 111 K C 1.894 178.449 176.600 -0.075 0.000 1.049 111 K CA 1.226 57.482 56.287 -0.053 0.000 0.931 111 K CB -0.316 32.172 32.500 -0.020 0.000 0.714 111 K HN 0.132 nan 8.250 nan 0.000 0.440 112 A N 0.685 123.451 122.820 -0.090 0.000 1.877 112 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 112 A C 2.337 179.832 177.584 -0.149 0.000 1.186 112 A CA 2.089 54.073 52.037 -0.089 0.000 0.620 112 A CB -1.000 17.953 19.000 -0.078 0.000 0.822 112 A HN 0.323 nan 8.150 nan 0.000 0.443 113 A N -0.587 122.053 122.820 -0.301 0.000 1.930 113 A HA 0.160 4.480 4.320 -0.001 0.000 0.217 113 A C 2.397 179.713 177.584 -0.446 0.000 1.175 113 A CA 1.847 53.524 52.037 -0.601 0.000 0.627 113 A CB -1.343 16.884 19.000 -1.288 0.000 0.815 113 A HN 0.723 nan 8.150 nan 0.000 0.443 114 G N 0.188 108.829 108.800 -0.266 0.000 2.421 114 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 114 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 114 G C 1.517 176.434 174.900 0.027 0.000 1.171 114 G CA 1.132 46.209 45.100 -0.040 0.000 0.775 114 G HN 0.471 nan 8.290 nan 0.000 0.543 115 I N 0.182 120.750 120.570 -0.002 0.000 2.264 115 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 115 I C 2.852 179.004 176.117 0.059 0.000 1.111 115 I CA 1.411 62.728 61.300 0.029 0.000 1.382 115 I CB -0.167 37.843 38.000 0.016 0.000 1.060 115 I HN 0.207 nan 8.210 nan 0.000 0.418 116 Q N 0.826 120.658 119.800 0.053 0.000 2.119 116 Q HA -0.238 4.102 4.340 -0.001 0.000 0.201 116 Q C 1.835 177.949 176.000 0.190 0.000 0.972 116 Q CA 1.664 57.530 55.803 0.105 0.000 0.847 116 Q CB -0.197 28.593 28.738 0.086 0.000 0.903 116 Q HN 0.335 nan 8.270 nan 0.000 0.433 117 D N -1.301 119.242 120.400 0.240 0.000 2.178 117 D HA -0.100 4.539 4.640 -0.001 0.000 0.202 117 D C 1.618 178.062 176.300 0.239 0.000 0.974 117 D CA 0.927 55.103 54.000 0.293 0.000 0.841 117 D CB 0.306 41.313 40.800 0.345 0.000 0.953 117 D HN 0.184 nan 8.370 nan 0.000 0.478 118 V N 0.347 120.359 119.914 0.163 0.000 2.379 118 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 118 V C 2.515 178.669 176.094 0.101 0.000 1.044 118 V CA 1.781 64.149 62.300 0.114 0.000 1.036 118 V CB -0.759 31.112 31.823 0.080 0.000 0.664 118 V HN 0.179 nan 8.190 nan 0.000 0.453 119 T N -0.613 114.008 114.554 0.113 0.000 2.833 119 T HA -0.213 4.136 4.350 -0.001 0.000 0.269 119 T C 1.751 176.525 174.700 0.123 0.000 1.054 119 T CA 1.828 63.987 62.100 0.098 0.000 1.135 119 T CB -0.364 68.560 68.868 0.093 0.000 0.869 119 T HN 0.594 nan 8.240 nan 0.000 0.466 120 Y N 1.805 122.139 120.300 0.055 0.000 2.242 120 Y HA -0.082 4.468 4.550 -0.001 0.000 0.291 120 Y C 2.433 178.358 175.900 0.043 0.000 1.137 120 Y CA 1.068 59.199 58.100 0.051 0.000 1.181 120 Y CB -0.324 38.171 38.460 0.059 0.000 0.989 120 Y HN 0.206 nan 8.280 nan 0.000 0.527 121 Q N -0.693 119.076 119.800 -0.051 0.000 2.046 121 Q HA -0.154 4.185 4.340 -0.001 0.000 0.200 121 Q C 2.081 178.005 176.000 -0.127 0.000 0.975 121 Q CA 2.275 58.003 55.803 -0.126 0.000 0.836 121 Q CB -0.280 28.462 28.738 0.006 0.000 0.896 121 Q HN 0.443 nan 8.270 nan 0.000 0.428 122 T N 1.381 115.900 114.554 -0.058 0.000 2.699 122 T HA -0.170 4.180 4.350 -0.001 0.000 0.268 122 T C 1.045 175.703 174.700 -0.071 0.000 1.036 122 T CA 1.626 63.700 62.100 -0.044 0.000 1.147 122 T CB -0.286 68.576 68.868 -0.010 0.000 0.862 122 T HN 0.234 nan 8.240 nan 0.000 0.446 123 D N 0.742 121.077 120.400 -0.108 0.000 2.277 123 D HA -0.000 4.639 4.640 -0.001 0.000 0.208 123 D C 2.256 178.459 176.300 -0.162 0.000 0.962 123 D CA 0.566 54.501 54.000 -0.109 0.000 0.865 123 D CB -0.244 40.516 40.800 -0.067 0.000 0.939 123 D HN 0.446 nan 8.370 nan 0.000 0.510 124 Q N 0.097 119.730 119.800 -0.278 0.000 2.119 124 Q HA -0.084 4.256 4.340 -0.001 0.000 0.201 124 Q C 2.021 177.980 176.000 -0.068 0.000 0.972 124 Q CA 0.891 56.571 55.803 -0.204 0.000 0.847 124 Q CB 0.119 28.694 28.738 -0.271 0.000 0.903 124 Q HN 0.382 nan 8.270 nan 0.000 0.433 125 Q N -0.749 119.006 119.800 -0.075 0.000 2.172 125 Q HA -0.087 4.253 4.340 -0.001 0.000 0.200 125 Q C 1.898 177.882 176.000 -0.026 0.000 0.964 125 Q CA 1.542 57.317 55.803 -0.046 0.000 0.855 125 Q CB 0.194 28.904 28.738 -0.046 0.000 0.918 125 Q HN 0.416 nan 8.270 nan 0.000 0.444 126 T N 1.340 115.881 114.554 -0.022 0.000 2.857 126 T HA -0.108 4.242 4.350 -0.001 0.000 0.266 126 T C 1.771 176.483 174.700 0.020 0.000 1.048 126 T CA 0.581 62.679 62.100 -0.003 0.000 1.139 126 T CB -0.168 68.698 68.868 -0.002 0.000 0.874 126 T HN 0.076 nan 8.240 nan 0.000 0.455 127 L N 1.235 122.481 121.223 0.038 0.000 2.083 127 L HA 0.103 4.442 4.340 -0.001 0.000 0.209 127 L C 2.119 179.084 176.870 0.158 0.000 1.083 127 L CA 1.300 56.196 54.840 0.092 0.000 0.752 127 L CB -0.756 41.362 42.059 0.098 0.000 0.899 127 L HN 0.268 nan 8.230 nan 0.000 0.433 128 I N -1.521 119.119 120.570 0.116 0.000 2.179 128 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 128 I C 2.334 178.425 176.117 -0.042 0.000 1.088 128 I CA 0.971 62.238 61.300 -0.055 0.000 1.357 128 I CB -0.387 37.489 38.000 -0.207 0.000 1.051 128 I HN 0.271 nan 8.210 nan 0.000 0.409 129 L N 1.150 122.363 121.223 -0.016 0.000 1.994 129 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 129 L C 2.172 179.057 176.870 0.025 0.000 1.071 129 L CA 1.956 56.795 54.840 -0.001 0.000 0.745 129 L CB -0.910 41.149 42.059 -0.001 0.000 0.892 129 L HN 0.244 nan 8.230 nan 0.000 0.431 130 N N -1.562 117.158 118.700 0.034 0.000 2.331 130 N HA -0.101 4.638 4.740 -0.001 0.000 0.180 130 N C 1.671 177.210 175.510 0.048 0.000 1.019 130 N CA 1.502 54.577 53.050 0.041 0.000 0.881 130 N CB -0.385 38.124 38.487 0.038 0.000 0.972 130 N HN 0.373 nan 8.380 nan 0.000 0.435 131 T N 0.986 115.575 114.554 0.058 0.000 2.737 131 T HA -0.011 4.338 4.350 -0.001 0.000 0.265 131 T C 2.031 176.741 174.700 0.017 0.000 1.038 131 T CA 1.317 63.450 62.100 0.054 0.000 1.144 131 T CB -0.339 68.600 68.868 0.119 0.000 0.866 131 T HN 0.299 nan 8.240 nan 0.000 0.434 132 A N 1.305 124.121 122.820 -0.006 0.000 1.908 132 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 132 A C 2.542 180.209 177.584 0.139 0.000 1.181 132 A CA 2.250 54.285 52.037 -0.003 0.000 0.627 132 A CB -1.359 17.675 19.000 0.057 0.000 0.818 132 A HN 0.470 nan 8.150 nan 0.000 0.445 133 T N 0.140 114.772 114.554 0.130 0.000 2.674 133 T HA -0.043 4.306 4.350 -0.001 0.000 0.265 133 T C 2.269 177.026 174.700 0.096 0.000 1.039 133 T CA 1.851 64.035 62.100 0.139 0.000 1.150 133 T CB -0.540 68.380 68.868 0.085 0.000 0.864 133 T HN 0.627 nan 8.240 nan 0.000 0.427 134 A N 0.263 123.113 122.820 0.051 0.000 1.940 134 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 134 A C 2.064 179.625 177.584 -0.038 0.000 1.176 134 A CA 1.704 53.748 52.037 0.011 0.000 0.631 134 A CB -1.083 17.924 19.000 0.011 0.000 0.814 134 A HN 0.596 nan 8.150 nan 0.000 0.446 135 Y N -0.609 119.568 120.300 -0.204 0.000 2.049 135 Y HA -0.256 4.294 4.550 -0.001 0.000 0.277 135 Y C 1.950 177.615 175.900 -0.391 0.000 1.143 135 Y CA 2.401 60.279 58.100 -0.371 0.000 1.115 135 Y CB -0.547 37.587 38.460 -0.544 0.000 0.975 135 Y HN 0.293 nan 8.280 nan 0.000 0.487 136 F N 0.527 120.449 119.950 -0.047 0.000 2.451 136 F HA -0.160 4.367 4.527 -0.001 0.000 0.299 136 F C 1.925 177.528 175.800 -0.328 0.000 1.101 136 F CA 0.946 58.776 58.000 -0.282 0.000 1.436 136 F CB -0.732 38.176 39.000 -0.153 0.000 1.074 136 F HN 0.167 nan 8.300 nan 0.000 0.553 137 N N 0.113 118.789 118.700 -0.039 0.000 2.135 137 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 137 N C 2.212 177.646 175.510 -0.127 0.000 1.027 137 N CA 1.230 54.246 53.050 -0.058 0.000 0.849 137 N CB -0.799 37.674 38.487 -0.023 0.000 1.002 137 N HN 0.091 nan 8.380 nan 0.000 0.425 138 V N 1.797 121.592 119.914 -0.199 0.000 2.295 138 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 138 V C 2.391 178.329 176.094 -0.259 0.000 1.049 138 V CA 1.204 63.367 62.300 -0.229 0.000 1.024 138 V CB -0.630 31.012 31.823 -0.302 0.000 0.648 138 V HN 0.245 nan 8.190 nan 0.000 0.447 139 L N 0.074 121.068 121.223 -0.382 0.000 2.042 139 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 139 L C 2.431 179.181 176.870 -0.201 0.000 1.076 139 L CA 2.282 56.913 54.840 -0.348 0.000 0.749 139 L CB -0.824 40.915 42.059 -0.532 0.000 0.893 139 L HN 0.433 nan 8.230 nan 0.000 0.432 140 N N -0.003 118.557 118.700 -0.233 0.000 2.104 140 N HA -0.179 4.560 4.740 -0.001 0.000 0.190 140 N C 1.767 177.296 175.510 0.031 0.000 1.024 140 N CA 1.468 54.526 53.050 0.014 0.000 0.853 140 N CB -0.057 38.446 38.487 0.026 0.000 1.008 140 N HN 0.308 nan 8.380 nan 0.000 0.424 141 A N -0.009 122.793 122.820 -0.031 0.000 2.015 141 A HA -0.036 4.284 4.320 -0.001 0.000 0.219 141 A C 2.128 179.692 177.584 -0.034 0.000 1.163 141 A CA 0.856 52.878 52.037 -0.025 0.000 0.646 141 A CB -0.600 18.376 19.000 -0.041 0.000 0.806 141 A HN 0.378 nan 8.150 nan 0.000 0.448 142 I N -0.206 120.330 120.570 -0.055 0.000 2.202 142 I HA -0.211 3.958 4.170 -0.001 0.000 0.242 142 I C 1.969 178.029 176.117 -0.095 0.000 1.091 142 I CA 1.335 62.592 61.300 -0.073 0.000 1.368 142 I CB -0.448 37.502 38.000 -0.084 0.000 1.058 142 I HN 0.210 nan 8.210 nan 0.000 0.410 143 D N 0.842 121.206 120.400 -0.060 0.000 2.087 143 D HA -0.163 4.477 4.640 -0.001 0.000 0.192 143 D C 2.417 178.666 176.300 -0.085 0.000 0.993 143 D CA 1.455 55.365 54.000 -0.149 0.000 0.828 143 D CB -0.608 40.244 40.800 0.087 0.000 0.968 143 D HN 0.107 nan 8.370 nan 0.000 0.448 144 V N 1.240 121.196 119.914 0.069 0.000 2.250 144 V HA -0.279 3.840 4.120 -0.001 0.000 0.253 144 V C 2.584 178.692 176.094 0.025 0.000 1.065 144 V CA 1.715 64.069 62.300 0.090 0.000 1.039 144 V CB -0.664 31.194 31.823 0.057 0.000 0.647 144 V HN 0.137 nan 8.190 nan 0.000 0.446 145 L N 1.061 122.266 121.223 -0.030 0.000 2.017 145 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 145 L C 2.657 179.475 176.870 -0.087 0.000 1.073 145 L CA 2.598 57.407 54.840 -0.052 0.000 0.745 145 L CB -0.717 41.309 42.059 -0.055 0.000 0.894 145 L HN 0.516 nan 8.230 nan 0.000 0.432 146 S N -2.144 113.465 115.700 -0.152 0.000 2.453 146 S HA -0.148 4.321 4.470 -0.001 0.000 0.231 146 S C 1.913 176.380 174.600 -0.221 0.000 1.005 146 S CA 0.649 58.728 58.200 -0.202 0.000 0.949 146 S CB -0.824 62.222 63.200 -0.258 0.000 0.774 146 S HN 0.498 nan 8.310 nan 0.000 0.510 147 Y N 2.669 122.897 120.300 -0.120 0.000 2.286 147 Y HA 0.110 4.660 4.550 -0.001 0.000 0.293 147 Y C 2.942 178.647 175.900 -0.326 0.000 1.124 147 Y CA 0.763 58.729 58.100 -0.223 0.000 1.178 147 Y CB -1.208 37.183 38.460 -0.114 0.000 1.010 147 Y HN 0.291 nan 8.280 nan 0.000 0.536 148 T N -0.491 114.039 114.554 -0.040 0.000 2.821 148 T HA -0.209 4.141 4.350 -0.001 0.000 0.267 148 T C 1.830 176.463 174.700 -0.111 0.000 1.046 148 T CA 1.493 63.545 62.100 -0.080 0.000 1.139 148 T CB -0.167 68.675 68.868 -0.043 0.000 0.871 148 T HN 0.179 nan 8.240 nan 0.000 0.454 149 Q N 1.691 121.427 119.800 -0.106 0.000 2.020 149 Q HA 0.053 4.393 4.340 -0.001 0.000 0.202 149 Q C 2.375 178.314 176.000 -0.102 0.000 0.982 149 Q CA 1.905 57.653 55.803 -0.091 0.000 0.838 149 Q CB -0.776 27.913 28.738 -0.082 0.000 0.899 149 Q HN 0.477 nan 8.270 nan 0.000 0.423 150 A N 0.049 122.770 122.820 -0.167 0.000 1.972 150 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 150 A C 2.050 179.473 177.584 -0.268 0.000 1.169 150 A CA 1.717 53.644 52.037 -0.184 0.000 0.635 150 A CB -0.705 18.175 19.000 -0.201 0.000 0.810 150 A HN 0.607 nan 8.150 nan 0.000 0.446 151 Q N -0.241 119.281 119.800 -0.465 0.000 2.123 151 Q HA -0.155 4.184 4.340 -0.001 0.000 0.199 151 Q C 2.131 178.142 176.000 0.018 0.000 0.966 151 Q CA 1.718 57.388 55.803 -0.221 0.000 0.845 151 Q CB -0.154 28.459 28.738 -0.210 0.000 0.907 151 Q HN 0.656 nan 8.270 nan 0.000 0.439 152 K N 0.446 120.843 120.400 -0.004 0.000 2.032 152 K HA -0.242 4.077 4.320 -0.001 0.000 0.209 152 K C 1.969 178.694 176.600 0.207 0.000 1.048 152 K CA 1.691 58.024 56.287 0.076 0.000 0.927 152 K CB -0.103 32.397 32.500 0.001 0.000 0.712 152 K HN 0.283 nan 8.250 nan 0.000 0.441 153 E N -0.243 120.048 120.200 0.152 0.000 2.106 153 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 153 E C 1.797 178.541 176.600 0.240 0.000 0.984 153 E CA 0.850 57.384 56.400 0.224 0.000 0.806 153 E CB -0.046 29.742 29.700 0.146 0.000 0.750 153 E HN 0.425 nan 8.360 nan 0.000 0.458 154 A N 1.102 124.035 122.820 0.189 0.000 1.902 154 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 154 A C 2.107 179.769 177.584 0.130 0.000 1.181 154 A CA 1.253 53.394 52.037 0.173 0.000 0.623 154 A CB -0.544 18.627 19.000 0.286 0.000 0.818 154 A HN 0.282 nan 8.150 nan 0.000 0.443 155 I N -2.038 118.636 120.570 0.174 0.000 2.439 155 I HA -0.190 3.980 4.170 -0.001 0.000 0.251 155 I C 2.433 178.632 176.117 0.136 0.000 1.139 155 I CA 1.350 62.745 61.300 0.158 0.000 1.438 155 I CB -0.399 37.729 38.000 0.213 0.000 1.085 155 I HN 0.540 nan 8.210 nan 0.000 0.427 156 Y N 2.198 122.546 120.300 0.080 0.000 2.145 156 Y HA -0.186 4.364 4.550 -0.001 0.000 0.286 156 Y C 2.642 178.476 175.900 -0.110 0.000 1.145 156 Y CA 1.454 59.488 58.100 -0.110 0.000 1.148 156 Y CB -0.300 38.134 38.460 -0.044 0.000 0.981 156 Y HN -0.066 nan 8.280 nan 0.000 0.507 157 R N -0.128 120.204 120.500 -0.280 0.000 2.159 157 R HA -0.164 4.176 4.340 -0.001 0.000 0.237 157 R C 2.024 178.144 176.300 -0.300 0.000 1.131 157 R CA 1.411 57.298 56.100 -0.356 0.000 0.982 157 R CB -0.142 30.078 30.300 -0.133 0.000 0.868 157 R HN 0.504 nan 8.270 nan 0.000 0.453 158 Q N 0.222 119.897 119.800 -0.208 0.000 2.212 158 Q HA -0.060 4.280 4.340 -0.001 0.000 0.199 158 Q C 2.145 178.048 176.000 -0.162 0.000 0.950 158 Q CA 0.613 56.322 55.803 -0.157 0.000 0.863 158 Q CB -0.182 28.500 28.738 -0.092 0.000 0.944 158 Q HN 0.222 nan 8.270 nan 0.000 0.465 159 L N 1.663 122.761 121.223 -0.209 0.000 2.017 159 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 159 L C 1.983 178.698 176.870 -0.258 0.000 1.073 159 L CA 2.031 56.740 54.840 -0.218 0.000 0.745 159 L CB -0.666 41.230 42.059 -0.272 0.000 0.894 159 L HN 0.114 nan 8.230 nan 0.000 0.432 160 D N -0.946 119.198 120.400 -0.428 0.000 2.104 160 D HA -0.248 4.392 4.640 -0.001 0.000 0.194 160 D C 2.022 178.205 176.300 -0.195 0.000 0.994 160 D CA 1.676 55.449 54.000 -0.380 0.000 0.830 160 D CB 0.070 40.497 40.800 -0.622 0.000 0.959 160 D HN 0.603 nan 8.370 nan 0.000 0.452 161 Q N -0.588 119.110 119.800 -0.170 0.000 2.079 161 Q HA -0.079 4.261 4.340 -0.001 0.000 0.200 161 Q C 2.249 178.235 176.000 -0.023 0.000 0.974 161 Q CA 1.564 57.324 55.803 -0.071 0.000 0.840 161 Q CB 0.021 28.726 28.738 -0.055 0.000 0.898 161 Q HN 0.258 nan 8.270 nan 0.000 0.430 162 T N 0.211 114.743 114.554 -0.036 0.000 2.821 162 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 162 T C 1.862 176.584 174.700 0.035 0.000 1.046 162 T CA 1.615 63.720 62.100 0.008 0.000 1.139 162 T CB -0.296 68.565 68.868 -0.012 0.000 0.871 162 T HN 0.323 nan 8.240 nan 0.000 0.454 163 T N 2.546 117.089 114.554 -0.018 0.000 2.915 163 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 163 T C 2.130 176.878 174.700 0.081 0.000 1.071 163 T CA 1.252 63.352 62.100 -0.000 0.000 1.132 163 T CB -0.233 68.597 68.868 -0.062 0.000 0.878 163 T HN 0.693 nan 8.240 nan 0.000 0.479 164 Q N 0.991 120.818 119.800 0.045 0.000 2.250 164 Q HA 0.128 4.468 4.340 -0.001 0.000 0.200 164 Q C 2.080 178.122 176.000 0.070 0.000 0.941 164 Q CA 0.525 56.360 55.803 0.053 0.000 0.872 164 Q CB -0.159 28.588 28.738 0.016 0.000 0.965 164 Q HN 0.292 nan 8.270 nan 0.000 0.480 165 R N -0.592 119.954 120.500 0.076 0.000 2.339 165 R HA 0.011 4.351 4.340 -0.001 0.000 0.199 165 R C 1.269 177.628 176.300 0.098 0.000 1.018 165 R CA 0.757 56.899 56.100 0.070 0.000 1.036 165 R CB -0.075 30.264 30.300 0.066 0.000 0.899 165 R HN 0.304 nan 8.270 nan 0.000 0.473 166 F N 1.175 121.120 119.950 -0.008 0.000 2.387 166 F HA 0.050 4.577 4.527 -0.001 0.000 0.294 166 F C 1.309 177.106 175.800 -0.005 0.000 1.093 166 F CA 0.922 58.919 58.000 -0.006 0.000 1.420 166 F CB 0.090 39.085 39.000 -0.008 0.000 1.086 166 F HN -0.053 nan 8.300 nan 0.000 0.531 167 N N -0.192 118.571 118.700 0.104 0.000 2.166 167 N HA -0.177 4.563 4.740 -0.001 0.000 0.186 167 N C 1.785 177.252 175.510 -0.071 0.000 1.019 167 N CA 1.349 54.415 53.050 0.026 0.000 0.856 167 N CB -0.234 38.291 38.487 0.063 0.000 0.993 167 N HN 0.137 nan 8.380 nan 0.000 0.426 168 V N -0.086 119.789 119.914 -0.065 0.000 2.307 168 V HA -0.044 4.076 4.120 -0.001 0.000 0.245 168 V C 1.526 177.529 176.094 -0.151 0.000 1.045 168 V CA 1.843 64.094 62.300 -0.081 0.000 1.024 168 V CB -0.878 30.917 31.823 -0.047 0.000 0.651 168 V HN 0.614 nan 8.190 nan 0.000 0.449 169 G N -0.658 108.004 108.800 -0.231 0.000 2.237 169 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.153 169 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.153 169 G C 0.257 175.048 174.900 -0.181 0.000 1.039 169 G CA 0.190 45.094 45.100 -0.326 0.000 0.719 169 G HN 0.331 nan 8.290 nan 0.000 0.491 170 L N 0.077 121.236 121.223 -0.106 0.000 2.529 170 L HA 0.556 4.896 4.340 -0.001 0.000 0.223 170 L C 1.167 178.035 176.870 -0.003 0.000 1.113 170 L CA 1.131 55.946 54.840 -0.042 0.000 0.861 170 L CB 0.682 42.731 42.059 -0.017 0.000 1.012 170 L HN 0.635 nan 8.230 nan 0.000 0.461 171 V N -3.922 116.008 119.914 0.027 0.000 3.102 171 V HA 0.884 5.003 4.120 -0.001 0.000 0.312 171 V C 0.003 176.213 176.094 0.194 0.000 1.135 171 V CA -0.793 61.569 62.300 0.104 0.000 1.022 171 V CB 0.953 32.857 31.823 0.135 0.000 1.056 171 V HN -0.055 nan 8.190 nan 0.000 0.436 172 A N 1.059 123.987 122.820 0.181 0.000 2.304 172 A HA 0.672 4.991 4.320 -0.001 0.000 0.271 172 A C 0.791 178.537 177.584 0.271 0.000 1.091 172 A CA -0.248 51.921 52.037 0.219 0.000 0.812 172 A CB 0.341 19.410 19.000 0.115 0.000 1.056 172 A HN 1.229 nan 8.150 nan 0.000 0.489 173 I N 1.105 121.843 120.570 0.279 0.000 2.850 173 I HA -0.153 4.016 4.170 -0.001 0.000 0.266 173 I C 2.158 178.255 176.117 -0.034 0.000 1.257 173 I CA 2.022 63.325 61.300 0.006 0.000 1.465 173 I CB -0.009 38.001 38.000 0.016 0.000 1.091 173 I HN 0.725 nan 8.210 nan 0.000 0.467 174 T N -3.889 110.681 114.554 0.026 0.000 3.361 174 T HA 0.085 4.434 4.350 -0.001 0.000 0.251 174 T C 0.746 175.449 174.700 0.006 0.000 1.131 174 T CA 0.824 62.931 62.100 0.012 0.000 1.001 174 T CB -0.386 68.497 68.868 0.026 0.000 1.003 174 T HN 0.343 nan 8.240 nan 0.000 0.558 175 D N -0.005 120.392 120.400 -0.005 0.000 2.348 175 D HA 0.092 4.732 4.640 -0.001 0.000 0.283 175 D C 2.031 178.307 176.300 -0.040 0.000 1.096 175 D CA 0.296 54.293 54.000 -0.004 0.000 0.863 175 D CB 0.505 41.322 40.800 0.027 0.000 1.465 175 D HN 0.326 nan 8.370 nan 0.000 0.515 176 V N -0.541 119.312 119.914 -0.101 0.000 2.667 176 V HA -0.087 4.032 4.120 -0.001 0.000 0.252 176 V C 1.677 177.699 176.094 -0.121 0.000 1.065 176 V CA 1.230 63.436 62.300 -0.157 0.000 1.083 176 V CB -0.323 31.294 31.823 -0.342 0.000 0.692 176 V HN 0.040 nan 8.190 nan 0.000 0.468 177 Q N 0.433 120.172 119.800 -0.102 0.000 2.302 177 Q HA 0.005 4.345 4.340 -0.001 0.000 0.202 177 Q C 2.126 178.112 176.000 -0.023 0.000 0.936 177 Q CA 0.985 56.752 55.803 -0.059 0.000 0.886 177 Q CB -0.454 28.250 28.738 -0.056 0.000 0.986 177 Q HN 0.704 nan 8.270 nan 0.000 0.487 178 N N 1.230 119.918 118.700 -0.019 0.000 2.135 178 N HA -0.078 4.662 4.740 -0.001 0.000 0.186 178 N C 1.548 177.066 175.510 0.014 0.000 1.027 178 N CA 1.506 54.556 53.050 0.001 0.000 0.849 178 N CB 0.054 38.543 38.487 0.003 0.000 1.002 178 N HN 0.177 nan 8.380 nan 0.000 0.425 179 A N 0.325 123.147 122.820 0.004 0.000 2.014 179 A HA -0.015 4.304 4.320 -0.001 0.000 0.218 179 A C 2.232 179.848 177.584 0.055 0.000 1.163 179 A CA 0.979 53.027 52.037 0.018 0.000 0.652 179 A CB -0.348 18.641 19.000 -0.017 0.000 0.808 179 A HN 0.264 nan 8.150 nan 0.000 0.449 180 R N 0.032 120.554 120.500 0.037 0.000 2.148 180 R HA 0.064 4.403 4.340 -0.001 0.000 0.223 180 R C 1.993 178.371 176.300 0.130 0.000 1.088 180 R CA 1.505 57.659 56.100 0.091 0.000 0.985 180 R CB -0.511 29.810 30.300 0.035 0.000 0.880 180 R HN 0.390 nan 8.270 nan 0.000 0.451 181 A N -0.117 122.748 122.820 0.075 0.000 1.970 181 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 181 A C 1.882 179.504 177.584 0.063 0.000 1.170 181 A CA 1.084 53.156 52.037 0.058 0.000 0.645 181 A CB -0.225 18.794 19.000 0.032 0.000 0.816 181 A HN 0.465 nan 8.150 nan 0.000 0.447 182 Q N -2.144 117.705 119.800 0.082 0.000 2.187 182 Q HA -0.083 4.257 4.340 -0.001 0.000 0.199 182 Q C 1.894 177.957 176.000 0.106 0.000 0.957 182 Q CA 1.346 57.196 55.803 0.078 0.000 0.857 182 Q CB -0.292 28.491 28.738 0.076 0.000 0.929 182 Q HN 0.822 nan 8.270 nan 0.000 0.453 183 Y N 1.831 122.147 120.300 0.025 0.000 2.242 183 Y HA -0.183 4.367 4.550 -0.001 0.000 0.291 183 Y C 1.150 177.065 175.900 0.025 0.000 1.137 183 Y CA 1.528 59.651 58.100 0.038 0.000 1.181 183 Y CB 0.107 38.604 38.460 0.061 0.000 0.989 183 Y HN 0.037 nan 8.280 nan 0.000 0.527 184 D N -1.029 119.353 120.400 -0.029 0.000 2.277 184 D HA -0.085 4.554 4.640 -0.001 0.000 0.208 184 D C 1.989 178.223 176.300 -0.110 0.000 0.962 184 D CA 1.515 55.446 54.000 -0.114 0.000 0.865 184 D CB -0.083 40.718 40.800 0.001 0.000 0.939 184 D HN 0.359 nan 8.370 nan 0.000 0.510 185 T N -0.501 114.015 114.554 -0.064 0.000 2.904 185 T HA -0.069 4.281 4.350 -0.001 0.000 0.267 185 T C 1.996 176.649 174.700 -0.077 0.000 1.059 185 T CA 0.362 62.431 62.100 -0.050 0.000 1.137 185 T CB -0.148 68.711 68.868 -0.016 0.000 0.879 185 T HN 0.001 nan 8.240 nan 0.000 0.467 186 V N 1.120 120.969 119.914 -0.108 0.000 2.719 186 V HA 0.053 4.173 4.120 -0.001 0.000 0.252 186 V C 2.135 178.129 176.094 -0.166 0.000 1.065 186 V CA 1.054 63.286 62.300 -0.113 0.000 1.086 186 V CB -0.477 31.300 31.823 -0.076 0.000 0.700 186 V HN 0.447 nan 8.190 nan 0.000 0.467 187 L N 0.073 121.141 121.223 -0.258 0.000 2.046 187 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 187 L C 2.774 179.563 176.870 -0.136 0.000 1.077 187 L CA 1.686 56.385 54.840 -0.236 0.000 0.747 187 L CB -0.821 41.059 42.059 -0.298 0.000 0.896 187 L HN 0.403 nan 8.230 nan 0.000 0.432 188 A N 0.187 122.941 122.820 -0.111 0.000 1.877 188 A HA -0.214 4.106 4.320 -0.001 0.000 0.216 188 A C 2.031 179.579 177.584 -0.059 0.000 1.186 188 A CA 1.891 53.885 52.037 -0.071 0.000 0.620 188 A CB -0.604 18.363 19.000 -0.055 0.000 0.822 188 A HN 0.446 nan 8.150 nan 0.000 0.443 189 N N -0.322 118.342 118.700 -0.060 0.000 2.364 189 N HA -0.150 4.589 4.740 -0.001 0.000 0.183 189 N C 1.568 177.049 175.510 -0.048 0.000 1.022 189 N CA 1.347 54.370 53.050 -0.045 0.000 0.883 189 N CB -0.282 38.182 38.487 -0.038 0.000 0.965 189 N HN 0.803 nan 8.380 nan 0.000 0.438 190 E N -0.126 120.035 120.200 -0.065 0.000 2.358 190 E HA -0.054 4.296 4.350 -0.001 0.000 0.195 190 E C 1.121 177.690 176.600 -0.052 0.000 1.010 190 E CA 0.219 56.581 56.400 -0.063 0.000 0.856 190 E CB 0.244 29.895 29.700 -0.082 0.000 0.795 190 E HN 0.037 nan 8.360 nan 0.000 0.504 191 L N 0.394 121.588 121.223 -0.049 0.000 2.121 191 L HA -0.050 4.290 4.340 -0.001 0.000 0.200 191 L C 2.682 179.534 176.870 -0.029 0.000 1.077 191 L CA 2.017 56.834 54.840 -0.039 0.000 0.766 191 L CB -1.213 40.823 42.059 -0.039 0.000 0.931 191 L HN 0.244 nan 8.230 nan 0.000 0.452 192 T N -2.962 111.576 114.554 -0.026 0.000 3.155 192 T HA 0.021 4.370 4.350 -0.001 0.000 0.264 192 T C 1.439 176.130 174.700 -0.016 0.000 1.160 192 T CA 0.897 62.986 62.100 -0.019 0.000 1.075 192 T CB -0.171 68.688 68.868 -0.016 0.000 0.921 192 T HN 0.219 nan 8.240 nan 0.000 0.533 193 A N 0.939 123.747 122.820 -0.021 0.000 2.055 193 A HA 0.451 4.771 4.320 -0.001 0.000 0.205 193 A C 2.306 179.877 177.584 -0.022 0.000 1.235 193 A CA 0.290 52.315 52.037 -0.019 0.000 0.822 193 A CB -0.300 18.687 19.000 -0.022 0.000 0.903 193 A HN 0.380 nan 8.150 nan 0.000 0.473 194 R N 0.847 121.332 120.500 -0.025 0.000 2.092 194 R HA -0.082 4.258 4.340 -0.001 0.000 0.231 194 R C 1.822 178.113 176.300 -0.015 0.000 1.119 194 R CA 1.936 58.022 56.100 -0.023 0.000 0.970 194 R CB -0.557 29.727 30.300 -0.026 0.000 0.864 194 R HN 0.554 nan 8.270 nan 0.000 0.440 195 N N -0.084 118.608 118.700 -0.014 0.000 2.270 195 N HA -0.079 4.660 4.740 -0.001 0.000 0.181 195 N C 1.058 176.565 175.510 -0.005 0.000 1.016 195 N CA 1.141 54.186 53.050 -0.009 0.000 0.870 195 N CB -0.160 38.321 38.487 -0.010 0.000 0.979 195 N HN 0.195 nan 8.380 nan 0.000 0.431 196 N N 0.039 118.734 118.700 -0.008 0.000 2.120 196 N HA -0.103 4.637 4.740 -0.001 0.000 0.188 196 N C 1.398 176.903 175.510 -0.008 0.000 1.024 196 N CA 0.580 53.626 53.050 -0.006 0.000 0.852 196 N CB -0.370 38.114 38.487 -0.005 0.000 1.003 196 N HN 0.228 nan 8.380 nan 0.000 0.424 197 L N 0.983 122.198 121.223 -0.013 0.000 2.056 197 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 197 L C 1.149 178.018 176.870 -0.002 0.000 1.078 197 L CA 1.808 56.637 54.840 -0.018 0.000 0.749 197 L CB -0.715 41.329 42.059 -0.024 0.000 0.901 197 L HN 0.052 nan 8.230 nan 0.000 0.433 198 D N -0.417 119.989 120.400 0.010 0.000 2.144 198 D HA -0.154 4.486 4.640 -0.001 0.000 0.199 198 D C 1.770 178.089 176.300 0.031 0.000 0.984 198 D CA 1.124 55.142 54.000 0.030 0.000 0.834 198 D CB -0.155 40.658 40.800 0.021 0.000 0.955 198 D HN 0.377 nan 8.370 nan 0.000 0.465 199 N N -0.150 118.560 118.700 0.016 0.000 2.415 199 N HA 0.073 4.812 4.740 -0.001 0.000 0.176 199 N C 1.508 177.025 175.510 0.011 0.000 1.042 199 N CA 0.686 53.745 53.050 0.015 0.000 0.902 199 N CB -0.078 38.414 38.487 0.009 0.000 0.986 199 N HN 0.078 nan 8.380 nan 0.000 0.447 200 A N 0.403 123.223 122.820 -0.001 0.000 1.930 200 A HA -0.040 4.280 4.320 -0.001 0.000 0.217 200 A C 2.277 179.849 177.584 -0.020 0.000 1.175 200 A CA 1.069 53.096 52.037 -0.017 0.000 0.627 200 A CB -0.567 18.411 19.000 -0.038 0.000 0.815 200 A HN 0.081 nan 8.150 nan 0.000 0.443 201 V N 0.205 120.116 119.914 -0.004 0.000 2.453 201 V HA -0.160 3.959 4.120 -0.001 0.000 0.247 201 V C 2.459 178.589 176.094 0.060 0.000 1.048 201 V CA 1.890 64.198 62.300 0.013 0.000 1.049 201 V CB -0.614 31.241 31.823 0.053 0.000 0.672 201 V HN 0.494 nan 8.190 nan 0.000 0.457 202 E N -0.219 120.021 120.200 0.065 0.000 2.150 202 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 202 E C 2.349 178.978 176.600 0.048 0.000 0.985 202 E CA 0.805 57.245 56.400 0.067 0.000 0.814 202 E CB -0.222 29.508 29.700 0.049 0.000 0.752 202 E HN 0.566 nan 8.360 nan 0.000 0.466 203 Q N 0.470 120.288 119.800 0.031 0.000 2.084 203 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 203 Q C 2.231 178.248 176.000 0.029 0.000 0.978 203 Q CA 0.627 56.445 55.803 0.024 0.000 0.844 203 Q CB -0.535 28.211 28.738 0.013 0.000 0.898 203 Q HN 0.269 nan 8.270 nan 0.000 0.426 204 L N 0.852 122.088 121.223 0.022 0.000 2.141 204 L HA -0.123 4.217 4.340 -0.001 0.000 0.209 204 L C 2.357 179.269 176.870 0.071 0.000 1.094 204 L CA 1.427 56.279 54.840 0.021 0.000 0.763 204 L CB -0.399 41.640 42.059 -0.033 0.000 0.908 204 L HN 0.221 nan 8.230 nan 0.000 0.437 205 R N -0.381 120.176 120.500 0.094 0.000 2.090 205 R HA -0.191 4.149 4.340 -0.001 0.000 0.228 205 R C 2.221 178.571 176.300 0.082 0.000 1.110 205 R CA 1.258 57.430 56.100 0.120 0.000 0.973 205 R CB -0.169 30.214 30.300 0.137 0.000 0.869 205 R HN 0.484 nan 8.270 nan 0.000 0.440 206 Q N 0.380 120.217 119.800 0.061 0.000 2.135 206 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 206 Q C 1.933 177.957 176.000 0.041 0.000 0.981 206 Q CA 1.737 57.566 55.803 0.045 0.000 0.856 206 Q CB 0.018 28.777 28.738 0.036 0.000 0.902 206 Q HN 0.443 nan 8.270 nan 0.000 0.425 207 I N -0.437 120.160 120.570 0.045 0.000 2.339 207 I HA -0.184 3.986 4.170 -0.001 0.000 0.245 207 I C 2.554 178.696 176.117 0.042 0.000 1.096 207 I CA 1.441 62.765 61.300 0.040 0.000 1.408 207 I CB -0.434 37.590 38.000 0.040 0.000 1.092 207 I HN 0.270 nan 8.210 nan 0.000 0.423 208 T N -1.791 112.803 114.554 0.067 0.000 2.809 208 T HA 0.170 4.520 4.350 -0.001 0.000 0.260 208 T C 1.718 176.459 174.700 0.068 0.000 1.039 208 T CA 1.122 63.273 62.100 0.085 0.000 1.141 208 T CB -0.019 68.963 68.868 0.190 0.000 0.869 208 T HN 0.519 nan 8.240 nan 0.000 0.437 209 G N 1.781 110.624 108.800 0.072 0.000 2.316 209 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.203 209 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.203 209 G C -0.160 174.763 174.900 0.038 0.000 0.999 209 G CA -0.122 45.004 45.100 0.043 0.000 0.649 209 G HN 0.969 nan 8.290 nan 0.000 0.489 210 N N -0.847 117.881 118.700 0.047 0.000 2.321 210 N HA 0.596 5.336 4.740 -0.001 0.000 0.290 210 N C -0.743 174.764 175.510 -0.005 0.000 1.212 210 N CA -1.116 51.924 53.050 -0.016 0.000 0.767 210 N CB 1.272 39.681 38.487 -0.130 0.000 1.494 210 N HN 0.261 nan 8.380 nan 0.000 0.479 211 Y N 0.440 120.659 120.300 -0.134 0.000 2.379 211 Y HA 0.352 4.901 4.550 -0.001 0.000 0.337 211 Y C -1.096 174.658 175.900 -0.243 0.000 1.238 211 Y CA 0.103 58.154 58.100 -0.081 0.000 1.405 211 Y CB 0.454 38.879 38.460 -0.059 0.000 1.310 211 Y HN 0.542 nan 8.280 nan 0.000 0.569 212 Y N 6.418 126.204 120.300 -0.857 0.000 2.361 212 Y HA 0.316 4.866 4.550 -0.001 0.000 0.337 212 Y C -1.751 173.597 175.900 -0.920 0.000 0.965 212 Y CA -2.197 55.523 58.100 -0.633 0.000 1.091 212 Y CB 1.754 40.007 38.460 -0.346 0.000 1.182 212 Y HN 0.491 nan 8.280 nan 0.000 0.450 213 P HA 0.070 nan 4.420 nan 0.000 0.239 213 P C -0.669 176.596 177.300 -0.057 0.000 1.188 213 P CA 0.730 63.764 63.100 -0.111 0.000 0.794 213 P CB 1.290 33.029 31.700 0.065 0.000 0.937 214 E N -0.438 119.744 120.200 -0.031 0.000 2.321 214 E HA 0.527 4.877 4.350 -0.001 0.000 0.278 214 E C -1.126 175.460 176.600 -0.023 0.000 0.902 214 E CA -0.624 55.762 56.400 -0.023 0.000 0.758 214 E CB 2.167 31.871 29.700 0.007 0.000 1.213 214 E HN -0.061 nan 8.360 nan 0.000 0.426 215 L N 1.223 122.393 121.223 -0.088 0.000 2.370 215 L HA 0.680 5.020 4.340 -0.001 0.000 0.266 215 L C -0.360 176.476 176.870 -0.058 0.000 1.002 215 L CA -1.174 53.589 54.840 -0.129 0.000 0.818 215 L CB 1.976 43.795 42.059 -0.400 0.000 1.325 215 L HN 0.604 nan 8.230 nan 0.000 0.418 216 A N 2.010 124.855 122.820 0.041 0.000 2.395 216 A HA 0.631 4.951 4.320 -0.001 0.000 0.286 216 A C 0.270 177.911 177.584 0.096 0.000 1.193 216 A CA -0.090 51.995 52.037 0.079 0.000 0.852 216 A CB 0.111 19.176 19.000 0.108 0.000 1.118 216 A HN 0.741 nan 8.150 nan 0.000 0.524 217 A N 2.612 125.477 122.820 0.075 0.000 2.271 217 A HA 0.604 4.924 4.320 -0.001 0.000 0.288 217 A C 0.251 177.962 177.584 0.212 0.000 1.094 217 A CA -0.620 51.500 52.037 0.137 0.000 0.828 217 A CB 0.171 19.232 19.000 0.102 0.000 1.091 217 A HN 1.341 nan 8.150 nan 0.000 0.493 218 L N 0.902 122.323 121.223 0.329 0.000 2.529 218 L HA -0.011 4.328 4.340 -0.001 0.000 0.287 218 L C 0.536 177.501 176.870 0.158 0.000 1.241 218 L CA 0.497 55.505 54.840 0.280 0.000 0.857 218 L CB -0.023 42.205 42.059 0.282 0.000 1.113 218 L HN 0.709 nan 8.230 nan 0.000 0.504 219 N N 3.360 122.138 118.700 0.130 0.000 2.719 219 N HA 0.045 4.785 4.740 -0.001 0.000 0.243 219 N C 0.859 176.418 175.510 0.080 0.000 1.104 219 N CA 0.086 53.191 53.050 0.092 0.000 0.981 219 N CB 0.617 39.152 38.487 0.080 0.000 1.290 219 N HN 0.641 nan 8.380 nan 0.000 0.513 220 V N 0.138 120.091 119.914 0.066 0.000 3.284 220 V HA -0.082 4.037 4.120 -0.001 0.000 0.273 220 V C 1.294 177.423 176.094 0.059 0.000 1.178 220 V CA 1.071 63.399 62.300 0.047 0.000 1.177 220 V CB -0.385 31.459 31.823 0.034 0.000 0.793 220 V HN 0.365 nan 8.190 nan 0.000 0.536 221 E N 2.221 122.465 120.200 0.074 0.000 2.068 221 E HA 0.081 4.431 4.350 -0.001 0.000 0.201 221 E C 0.767 177.450 176.600 0.138 0.000 0.947 221 E CA 0.584 57.036 56.400 0.087 0.000 0.909 221 E CB -0.736 29.003 29.700 0.065 0.000 1.015 221 E HN 0.824 nan 8.360 nan 0.000 0.484 222 N N 3.161 121.919 118.700 0.096 0.000 2.406 222 N HA -0.009 4.730 4.740 -0.001 0.000 0.274 222 N C -0.042 175.508 175.510 0.068 0.000 1.249 222 N CA -0.040 53.045 53.050 0.058 0.000 0.951 222 N CB -0.446 38.038 38.487 -0.004 0.000 1.241 222 N HN -0.020 nan 8.380 nan 0.000 0.485 223 F N 0.452 120.388 119.950 -0.023 0.000 2.291 223 F HA 0.582 5.108 4.527 -0.001 0.000 0.305 223 F C 0.572 176.352 175.800 -0.034 0.000 1.171 223 F CA -0.967 57.005 58.000 -0.048 0.000 1.090 223 F CB 0.861 39.808 39.000 -0.089 0.000 1.436 223 F HN 0.250 nan 8.300 nan 0.000 0.509 224 K N -0.339 120.089 120.400 0.046 0.000 3.099 224 K HA 0.145 4.465 4.320 -0.001 0.000 0.197 224 K C -0.910 175.751 176.600 0.101 0.000 1.114 224 K CA -0.230 56.044 56.287 -0.021 0.000 1.024 224 K CB 0.797 33.292 32.500 -0.009 0.000 0.711 224 K HN 0.653 nan 8.250 nan 0.000 0.432 225 T N 2.426 117.116 114.554 0.226 0.000 2.771 225 T HA 0.060 4.409 4.350 -0.001 0.000 0.277 225 T C -0.432 174.365 174.700 0.163 0.000 0.919 225 T CA 0.458 62.598 62.100 0.067 0.000 1.163 225 T CB 0.017 68.919 68.868 0.056 0.000 0.876 225 T HN 0.084 nan 8.240 nan 0.000 0.545 226 D N 2.638 123.155 120.400 0.194 0.000 2.787 226 D HA 0.232 4.871 4.640 -0.001 0.000 0.246 226 D C -0.036 176.337 176.300 0.120 0.000 1.150 226 D CA -0.836 53.245 54.000 0.135 0.000 0.864 226 D CB 1.845 42.705 40.800 0.101 0.000 1.481 226 D HN 0.161 nan 8.370 nan 0.000 0.509 227 K N 2.928 123.373 120.400 0.076 0.000 2.447 227 K HA 0.164 4.484 4.320 -0.001 0.000 0.281 227 K C -2.013 174.616 176.600 0.048 0.000 1.031 227 K CA -0.781 55.535 56.287 0.048 0.000 1.019 227 K CB 0.236 32.763 32.500 0.045 0.000 0.918 227 K HN 0.194 nan 8.250 nan 0.000 0.476 228 P HA 0.030 nan 4.420 nan 0.000 0.274 228 P C -0.679 176.715 177.300 0.156 0.000 1.246 228 P CA -0.424 62.711 63.100 0.058 0.000 0.795 228 P CB 0.562 32.250 31.700 -0.020 0.000 1.006 229 Q N 0.591 120.485 119.800 0.156 0.000 2.394 229 Q HA 0.023 4.363 4.340 -0.001 0.000 0.303 229 Q C -1.884 174.245 176.000 0.215 0.000 1.117 229 Q CA -0.534 55.356 55.803 0.145 0.000 0.966 229 Q CB -1.084 27.711 28.738 0.095 0.000 1.275 229 Q HN 0.372 nan 8.270 nan 0.000 0.429 230 P HA -0.099 nan 4.420 nan 0.000 0.265 230 P C 0.869 178.101 177.300 -0.113 0.000 1.187 230 P CA 0.177 63.301 63.100 0.039 0.000 0.766 230 P CB 0.467 32.170 31.700 0.006 0.000 0.820 231 V N 3.744 123.398 119.914 -0.433 0.000 2.332 231 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 231 V C 1.653 177.556 176.094 -0.318 0.000 1.055 231 V CA 2.069 63.938 62.300 -0.719 0.000 1.038 231 V CB -0.758 30.358 31.823 -1.178 0.000 0.651 231 V HN 0.501 nan 8.190 nan 0.000 0.450 232 N N 0.284 118.858 118.700 -0.209 0.000 2.396 232 N HA -0.041 4.699 4.740 -0.001 0.000 0.180 232 N C 1.788 177.252 175.510 -0.076 0.000 1.028 232 N CA 1.352 54.331 53.050 -0.119 0.000 0.893 232 N CB -0.188 38.248 38.487 -0.086 0.000 0.967 232 N HN 0.615 nan 8.380 nan 0.000 0.440 233 A N 1.432 124.213 122.820 -0.066 0.000 1.897 233 A HA 0.014 4.334 4.320 -0.001 0.000 0.215 233 A C 2.370 179.935 177.584 -0.031 0.000 1.181 233 A CA 0.577 52.593 52.037 -0.034 0.000 0.620 233 A CB -0.553 18.438 19.000 -0.015 0.000 0.821 233 A HN 0.117 nan 8.150 nan 0.000 0.443 234 L N -0.782 120.417 121.223 -0.041 0.000 2.017 234 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 234 L C 2.600 179.446 176.870 -0.040 0.000 1.073 234 L CA 1.238 56.062 54.840 -0.026 0.000 0.745 234 L CB -0.624 41.430 42.059 -0.009 0.000 0.894 234 L HN 0.367 nan 8.230 nan 0.000 0.432 235 L N -0.228 120.957 121.223 -0.064 0.000 1.997 235 L HA -0.322 4.017 4.340 -0.001 0.000 0.216 235 L C 2.763 179.606 176.870 -0.044 0.000 1.074 235 L CA 1.696 56.501 54.840 -0.059 0.000 0.763 235 L CB -0.437 41.585 42.059 -0.063 0.000 0.890 235 L HN 0.190 nan 8.230 nan 0.000 0.434 236 K N -0.870 119.509 120.400 -0.034 0.000 2.113 236 K HA -0.267 4.052 4.320 -0.001 0.000 0.208 236 K C 2.090 178.678 176.600 -0.019 0.000 1.047 236 K CA 1.786 58.061 56.287 -0.021 0.000 0.928 236 K CB -0.048 32.442 32.500 -0.016 0.000 0.716 236 K HN 0.166 nan 8.250 nan 0.000 0.446 237 E N 0.199 120.387 120.200 -0.020 0.000 2.122 237 E HA -0.001 4.348 4.350 -0.001 0.000 0.190 237 E C 1.617 178.204 176.600 -0.023 0.000 0.977 237 E CA 0.969 57.360 56.400 -0.016 0.000 0.820 237 E CB -0.009 29.685 29.700 -0.010 0.000 0.770 237 E HN 0.275 nan 8.360 nan 0.000 0.462 238 A N 0.679 123.479 122.820 -0.033 0.000 1.908 238 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 238 A C 2.133 179.680 177.584 -0.061 0.000 1.181 238 A CA 1.903 53.913 52.037 -0.046 0.000 0.627 238 A CB -0.727 18.239 19.000 -0.057 0.000 0.818 238 A HN 0.294 nan 8.150 nan 0.000 0.445 239 E N 0.460 120.620 120.200 -0.067 0.000 2.147 239 E HA -0.247 4.103 4.350 -0.001 0.000 0.199 239 E C 1.664 178.244 176.600 -0.034 0.000 1.005 239 E CA 2.058 58.416 56.400 -0.069 0.000 0.810 239 E CB -0.164 29.517 29.700 -0.032 0.000 0.736 239 E HN 0.806 nan 8.360 nan 0.000 0.460 240 K N -1.798 118.591 120.400 -0.019 0.000 2.414 240 K HA 0.271 4.591 4.320 -0.001 0.000 0.204 240 K C 1.185 177.783 176.600 -0.004 0.000 1.026 240 K CA -0.214 56.070 56.287 -0.005 0.000 1.108 240 K CB 0.717 33.219 32.500 0.003 0.000 0.855 240 K HN -0.115 nan 8.250 nan 0.000 0.517 241 R N 0.007 120.500 120.500 -0.012 0.000 2.582 241 R HA 0.143 4.482 4.340 -0.001 0.000 0.285 241 R C -0.265 176.029 176.300 -0.011 0.000 0.940 241 R CA -0.333 55.763 56.100 -0.008 0.000 1.072 241 R CB 0.461 30.757 30.300 -0.007 0.000 1.527 241 R HN 0.138 nan 8.270 nan 0.000 0.538 242 N N 2.123 120.810 118.700 -0.022 0.000 2.447 242 N HA -0.009 4.731 4.740 -0.001 0.000 0.263 242 N C 1.024 176.526 175.510 -0.013 0.000 1.226 242 N CA 0.269 53.305 53.050 -0.024 0.000 0.906 242 N CB 0.936 39.397 38.487 -0.044 0.000 1.060 242 N HN 0.133 nan 8.380 nan 0.000 0.468 243 L N 2.414 123.633 121.223 -0.007 0.000 2.156 243 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 243 L C 2.226 179.101 176.870 0.007 0.000 1.095 243 L CA 0.646 55.488 54.840 0.004 0.000 0.770 243 L CB -0.209 41.851 42.059 0.002 0.000 0.914 243 L HN 0.498 nan 8.230 nan 0.000 0.439 244 S N 0.208 115.908 115.700 -0.001 0.000 2.345 244 S HA -0.154 4.315 4.470 -0.001 0.000 0.220 244 S C 1.849 176.451 174.600 0.004 0.000 1.031 244 S CA 1.024 59.226 58.200 0.003 0.000 0.996 244 S CB -0.344 62.854 63.200 -0.002 0.000 0.882 244 S HN 0.218 nan 8.310 nan 0.000 0.445 245 L N 1.639 122.856 121.223 -0.010 0.000 2.083 245 L HA 0.019 4.359 4.340 -0.001 0.000 0.209 245 L C 2.069 178.945 176.870 0.010 0.000 1.083 245 L CA 1.316 56.150 54.840 -0.010 0.000 0.752 245 L CB -0.716 41.313 42.059 -0.051 0.000 0.899 245 L HN 0.287 nan 8.230 nan 0.000 0.433 246 L N -0.794 120.436 121.223 0.011 0.000 2.046 246 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 246 L C 2.540 179.429 176.870 0.031 0.000 1.077 246 L CA 1.874 56.727 54.840 0.023 0.000 0.747 246 L CB -0.710 41.363 42.059 0.023 0.000 0.896 246 L HN 0.459 nan 8.230 nan 0.000 0.432 247 Q N -0.777 119.041 119.800 0.030 0.000 2.170 247 Q HA -0.196 4.143 4.340 -0.001 0.000 0.203 247 Q C 2.078 178.099 176.000 0.035 0.000 0.976 247 Q CA 1.497 57.321 55.803 0.035 0.000 0.858 247 Q CB -0.105 28.654 28.738 0.035 0.000 0.907 247 Q HN 0.692 nan 8.270 nan 0.000 0.433 248 A N 0.794 123.633 122.820 0.032 0.000 1.930 248 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 248 A C 2.072 179.680 177.584 0.040 0.000 1.175 248 A CA 1.283 53.339 52.037 0.033 0.000 0.627 248 A CB -0.470 18.549 19.000 0.031 0.000 0.815 248 A HN 0.305 nan 8.150 nan 0.000 0.443 249 R N -0.681 119.845 120.500 0.043 0.000 2.075 249 R HA -0.001 4.339 4.340 -0.001 0.000 0.232 249 R C 1.924 178.258 176.300 0.057 0.000 1.126 249 R CA 1.302 57.433 56.100 0.052 0.000 0.963 249 R CB -0.318 30.011 30.300 0.049 0.000 0.858 249 R HN 0.527 nan 8.270 nan 0.000 0.435 250 L N -0.224 121.028 121.223 0.049 0.000 2.156 250 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 250 L C 2.296 179.198 176.870 0.052 0.000 1.095 250 L CA 0.939 55.808 54.840 0.048 0.000 0.770 250 L CB -0.103 41.980 42.059 0.040 0.000 0.914 250 L HN 0.167 nan 8.230 nan 0.000 0.439 251 S N -0.783 114.948 115.700 0.051 0.000 2.383 251 S HA -0.252 4.217 4.470 -0.001 0.000 0.227 251 S C 1.874 176.523 174.600 0.082 0.000 1.026 251 S CA 1.204 59.437 58.200 0.055 0.000 0.981 251 S CB -0.161 63.065 63.200 0.044 0.000 0.818 251 S HN 0.444 nan 8.310 nan 0.000 0.472 252 Q N 0.956 120.812 119.800 0.092 0.000 2.079 252 Q HA -0.211 4.128 4.340 -0.001 0.000 0.200 252 Q C 1.794 177.927 176.000 0.222 0.000 0.974 252 Q CA 1.811 57.707 55.803 0.156 0.000 0.840 252 Q CB -0.249 28.556 28.738 0.113 0.000 0.898 252 Q HN 0.528 nan 8.270 nan 0.000 0.430 253 D N -0.029 120.454 120.400 0.139 0.000 2.149 253 D HA -0.209 4.431 4.640 -0.001 0.000 0.198 253 D C 1.917 178.259 176.300 0.070 0.000 0.990 253 D CA 1.005 55.063 54.000 0.097 0.000 0.839 253 D CB -0.224 40.615 40.800 0.064 0.000 0.948 253 D HN 0.301 nan 8.370 nan 0.000 0.460 254 L N 0.145 121.410 121.223 0.071 0.000 2.056 254 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 254 L C 2.197 179.105 176.870 0.063 0.000 1.078 254 L CA 1.888 56.758 54.840 0.051 0.000 0.749 254 L CB -1.197 40.888 42.059 0.043 0.000 0.901 254 L HN 0.180 nan 8.230 nan 0.000 0.433 255 A N 0.367 123.259 122.820 0.119 0.000 1.902 255 A HA -0.257 4.062 4.320 -0.001 0.000 0.217 255 A C 2.451 180.087 177.584 0.087 0.000 1.181 255 A CA 1.664 53.796 52.037 0.159 0.000 0.623 255 A CB -0.673 18.498 19.000 0.285 0.000 0.818 255 A HN 0.528 nan 8.150 nan 0.000 0.443 256 R N -0.303 120.204 120.500 0.011 0.000 2.091 256 R HA -0.218 4.122 4.340 -0.001 0.000 0.238 256 R C 2.002 178.210 176.300 -0.153 0.000 1.136 256 R CA 2.018 57.942 56.100 -0.293 0.000 0.959 256 R CB -0.296 29.806 30.300 -0.331 0.000 0.856 256 R HN 0.439 nan 8.270 nan 0.000 0.437 257 E N 0.703 120.866 120.200 -0.061 0.000 2.204 257 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 257 E C 1.797 178.382 176.600 -0.024 0.000 0.990 257 E CA 1.541 57.920 56.400 -0.035 0.000 0.821 257 E CB 0.046 29.741 29.700 -0.008 0.000 0.750 257 E HN 0.514 nan 8.360 nan 0.000 0.477 258 Q N -0.581 119.211 119.800 -0.015 0.000 2.245 258 Q HA 0.032 4.372 4.340 -0.001 0.000 0.201 258 Q C 2.170 178.160 176.000 -0.017 0.000 0.955 258 Q CA 0.916 56.716 55.803 -0.004 0.000 0.870 258 Q CB 0.048 28.797 28.738 0.019 0.000 0.945 258 Q HN 0.389 nan 8.270 nan 0.000 0.461 259 I N 0.770 121.312 120.570 -0.047 0.000 2.163 259 I HA -0.314 3.856 4.170 -0.001 0.000 0.243 259 I C 2.198 178.287 176.117 -0.046 0.000 1.085 259 I CA 1.150 62.413 61.300 -0.061 0.000 1.347 259 I CB -0.378 37.541 38.000 -0.135 0.000 1.044 259 I HN 0.192 nan 8.210 nan 0.000 0.408 260 R N 0.687 121.155 120.500 -0.053 0.000 2.096 260 R HA -0.218 4.122 4.340 -0.001 0.000 0.235 260 R C 2.115 178.410 176.300 -0.009 0.000 1.127 260 R CA 1.317 57.400 56.100 -0.029 0.000 0.968 260 R CB -0.805 29.477 30.300 -0.031 0.000 0.861 260 R HN 0.569 nan 8.270 nan 0.000 0.440 261 Q N 0.692 120.486 119.800 -0.009 0.000 2.084 261 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 261 Q C 2.004 177.993 176.000 -0.019 0.000 0.978 261 Q CA 1.618 57.420 55.803 -0.003 0.000 0.844 261 Q CB -0.039 28.699 28.738 -0.000 0.000 0.898 261 Q HN 0.338 nan 8.270 nan 0.000 0.426 262 A N 0.648 123.454 122.820 -0.023 0.000 1.902 262 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 262 A C 1.918 179.463 177.584 -0.065 0.000 1.181 262 A CA 1.599 53.612 52.037 -0.040 0.000 0.623 262 A CB -0.562 18.425 19.000 -0.021 0.000 0.818 262 A HN 0.531 nan 8.150 nan 0.000 0.443 263 Q N -0.322 119.465 119.800 -0.023 0.000 2.226 263 Q HA -0.158 4.181 4.340 -0.001 0.000 0.204 263 Q C 0.929 176.934 176.000 0.009 0.000 0.975 263 Q CA 1.211 57.028 55.803 0.022 0.000 0.866 263 Q CB -0.141 28.627 28.738 0.051 0.000 0.915 263 Q HN 0.605 nan 8.270 nan 0.000 0.440 264 D N -0.356 120.036 120.400 -0.012 0.000 2.350 264 D HA -0.091 4.548 4.640 -0.001 0.000 0.216 264 D C 1.706 177.984 176.300 -0.038 0.000 0.968 264 D CA 0.936 54.939 54.000 0.006 0.000 0.894 264 D CB -0.158 40.655 40.800 0.022 0.000 0.909 264 D HN 0.390 nan 8.370 nan 0.000 0.520 265 G N 0.515 109.226 108.800 -0.149 0.000 2.422 265 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 265 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 265 G C 1.343 176.127 174.900 -0.192 0.000 1.146 265 G CA 0.498 45.468 45.100 -0.216 0.000 0.769 265 G HN 0.399 nan 8.290 nan 0.000 0.547 266 H N 0.010 119.091 119.070 0.018 0.000 2.495 266 H HA 0.154 4.709 4.556 -0.001 0.000 0.287 266 H C 1.133 176.481 175.328 0.034 0.000 1.033 266 H CA 0.177 56.242 56.048 0.027 0.000 1.307 266 H CB -0.098 29.685 29.762 0.034 0.000 1.401 266 H HN 0.238 nan 8.280 nan 0.000 0.555 267 L N 2.914 124.215 121.223 0.129 0.000 2.436 267 L HA 0.173 4.513 4.340 -0.001 0.000 0.265 267 L C -1.675 175.247 176.870 0.086 0.000 1.168 267 L CA -1.845 53.068 54.840 0.122 0.000 0.815 267 L CB 0.307 42.440 42.059 0.124 0.000 1.109 267 L HN 0.003 nan 8.230 nan 0.000 0.462 268 P HA 0.224 nan 4.420 nan 0.000 0.276 268 P C -0.925 176.411 177.300 0.059 0.000 1.252 268 P CA -0.357 62.745 63.100 0.004 0.000 0.802 268 P CB 1.229 33.039 31.700 0.182 0.000 1.035 269 T N -1.302 113.074 114.554 -0.297 0.000 2.903 269 T HA 0.659 5.008 4.350 -0.001 0.000 0.299 269 T C -1.109 173.171 174.700 -0.700 0.000 1.093 269 T CA -0.779 61.080 62.100 -0.401 0.000 1.002 269 T CB 1.288 70.006 68.868 -0.250 0.000 1.127 269 T HN 0.285 nan 8.240 nan 0.000 0.488 270 L N 1.465 122.114 121.223 -0.957 0.000 2.408 270 L HA 0.750 5.090 4.340 -0.001 0.000 0.268 270 L C -1.723 174.936 176.870 -0.352 0.000 0.986 270 L CA -0.265 54.191 54.840 -0.640 0.000 0.820 270 L CB 2.063 43.637 42.059 -0.808 0.000 1.303 270 L HN 0.815 nan 8.230 nan 0.000 0.411 271 D N 4.758 125.048 120.400 -0.183 0.000 2.780 271 D HA 0.370 5.010 4.640 -0.001 0.000 0.242 271 D C -1.003 175.263 176.300 -0.057 0.000 1.135 271 D CA -0.233 53.700 54.000 -0.111 0.000 0.859 271 D CB 2.935 43.674 40.800 -0.102 0.000 1.530 271 D HN 0.451 nan 8.370 nan 0.000 0.493 272 L N 1.545 122.747 121.223 -0.036 0.000 2.312 272 L HA 0.464 4.803 4.340 -0.001 0.000 0.281 272 L C -0.255 176.604 176.870 -0.019 0.000 1.070 272 L CA -0.094 54.737 54.840 -0.015 0.000 0.805 272 L CB 1.040 43.098 42.059 -0.001 0.000 1.174 272 L HN 0.495 nan 8.230 nan 0.000 0.434 273 T N 1.669 116.216 114.554 -0.012 0.000 3.066 273 T HA 0.730 5.080 4.350 -0.001 0.000 0.318 273 T C -0.685 174.012 174.700 -0.006 0.000 0.979 273 T CA -0.603 61.489 62.100 -0.013 0.000 1.025 273 T CB 1.380 70.238 68.868 -0.016 0.000 1.002 273 T HN 0.660 nan 8.240 nan 0.000 0.453 274 A N 2.842 125.660 122.820 -0.004 0.000 2.355 274 A HA 0.991 5.310 4.320 -0.001 0.000 0.324 274 A C 0.057 177.640 177.584 -0.002 0.000 1.117 274 A CA -0.855 51.181 52.037 -0.001 0.000 0.785 274 A CB 1.389 20.390 19.000 0.002 0.000 1.254 274 A HN 1.700 nan 8.150 nan 0.000 0.453 275 S N 0.137 115.837 115.700 0.000 0.000 2.533 275 S HA 0.677 5.147 4.470 -0.001 0.000 0.271 275 S C -0.671 173.930 174.600 0.002 0.000 1.143 275 S CA -0.433 57.767 58.200 -0.000 0.000 0.891 275 S CB 1.465 64.665 63.200 -0.001 0.000 1.105 275 S HN 1.188 nan 8.310 nan 0.000 0.468 276 T N 1.158 115.714 114.554 0.002 0.000 2.855 276 T HA 0.840 5.190 4.350 -0.001 0.000 0.281 276 T C 0.144 174.847 174.700 0.004 0.000 1.007 276 T CA 0.249 62.351 62.100 0.003 0.000 1.009 276 T CB 0.809 69.679 68.868 0.003 0.000 0.983 276 T HN 1.484 nan 8.240 nan 0.000 0.455 277 G N 2.794 111.597 108.800 0.005 0.000 2.608 277 G HA2 0.648 4.607 3.960 -0.001 0.000 0.291 277 G HA3 0.648 4.607 3.960 -0.001 0.000 0.291 277 G C -1.715 173.190 174.900 0.007 0.000 1.425 277 G CA -0.671 44.433 45.100 0.006 0.000 0.787 277 G HN 0.982 nan 8.290 nan 0.000 0.484 278 I N -1.995 118.581 120.570 0.009 0.000 3.074 278 I HA 0.939 5.109 4.170 -0.001 0.000 0.310 278 I C -0.232 175.893 176.117 0.013 0.000 1.153 278 I CA -1.347 59.960 61.300 0.010 0.000 0.993 278 I CB 2.063 40.069 38.000 0.010 0.000 1.237 278 I HN 0.760 nan 8.210 nan 0.000 0.443 279 S N 0.880 116.588 115.700 0.013 0.000 2.547 279 S HA 0.678 5.148 4.470 -0.001 0.000 0.270 279 S C -2.292 172.316 174.600 0.014 0.000 1.150 279 S CA -0.472 57.736 58.200 0.014 0.000 0.850 279 S CB 1.718 64.925 63.200 0.012 0.000 1.118 279 S HN 0.961 nan 8.310 nan 0.000 0.461 280 D N 0.941 121.348 120.400 0.010 0.000 2.857 280 D HA 0.604 5.243 4.640 -0.001 0.000 0.227 280 D C -1.584 174.702 176.300 -0.024 0.000 1.192 280 D CA 0.016 54.018 54.000 0.004 0.000 0.857 280 D CB 2.474 43.282 40.800 0.012 0.000 1.645 280 D HN 0.552 nan 8.370 nan 0.000 0.482 281 T N 1.481 116.003 114.554 -0.053 0.000 2.879 281 T HA 0.566 4.915 4.350 -0.001 0.000 0.290 281 T C -0.809 173.751 174.700 -0.232 0.000 0.993 281 T CA -0.590 61.407 62.100 -0.172 0.000 0.975 281 T CB 1.402 70.167 68.868 -0.171 0.000 0.981 281 T HN 0.182 nan 8.240 nan 0.000 0.439 282 S N 1.766 117.272 115.700 -0.325 0.000 2.526 282 S HA 0.700 5.170 4.470 -0.001 0.000 0.293 282 S C -1.514 172.868 174.600 -0.364 0.000 1.092 282 S CA -0.784 57.281 58.200 -0.225 0.000 0.980 282 S CB 0.958 64.125 63.200 -0.054 0.000 1.048 282 S HN 0.592 nan 8.310 nan 0.000 0.483 283 Y N 1.387 121.715 120.300 0.047 0.000 2.393 283 Y HA 0.661 5.210 4.550 -0.001 0.000 0.341 283 Y C 0.783 176.692 175.900 0.016 0.000 0.988 283 Y CA -0.442 57.668 58.100 0.017 0.000 1.078 283 Y CB 1.914 40.381 38.460 0.012 0.000 1.203 283 Y HN 0.822 nan 8.280 nan 0.000 0.453 284 S N 0.747 116.543 115.700 0.161 0.000 2.903 284 S HA 0.977 5.447 4.470 -0.001 0.000 0.314 284 S C -0.101 174.539 174.600 0.066 0.000 1.177 284 S CA -0.439 57.824 58.200 0.104 0.000 0.859 284 S CB 1.533 64.793 63.200 0.101 0.000 1.265 284 S HN 1.694 nan 8.310 nan 0.000 0.584 285 G N 0.125 108.958 108.800 0.056 0.000 2.603 285 G HA2 0.064 4.023 3.960 -0.001 0.000 0.686 285 G HA3 0.064 4.023 3.960 -0.001 0.000 0.686 285 G C 0.330 175.242 174.900 0.021 0.000 1.286 285 G CA -0.067 45.054 45.100 0.035 0.000 0.871 285 G HN 1.261 nan 8.290 nan 0.000 0.568 286 S N 0.101 115.810 115.700 0.016 0.000 2.404 286 S HA -0.083 4.387 4.470 -0.001 0.000 0.216 286 S C 1.490 176.094 174.600 0.005 0.000 1.039 286 S CA 1.614 59.821 58.200 0.013 0.000 1.062 286 S CB -0.186 63.022 63.200 0.013 0.000 1.046 286 S HN 0.791 nan 8.310 nan 0.000 0.415 287 K N 3.075 123.473 120.400 -0.004 0.000 2.083 287 K HA 0.102 4.422 4.320 -0.001 0.000 0.246 287 K C -1.201 175.382 176.600 -0.029 0.000 1.160 287 K CA 0.290 56.573 56.287 -0.007 0.000 1.060 287 K CB -0.538 31.958 32.500 -0.006 0.000 1.417 287 K HN 0.192 nan 8.250 nan 0.000 0.329 288 T N 3.971 118.516 114.554 -0.015 0.000 3.226 288 T HA 0.344 4.693 4.350 -0.001 0.000 0.378 288 T C -0.290 174.421 174.700 0.019 0.000 1.380 288 T CA -0.632 61.450 62.100 -0.028 0.000 1.396 288 T CB 0.867 69.725 68.868 -0.016 0.000 1.044 288 T HN 0.639 nan 8.240 nan 0.000 0.586 289 R N 0.626 121.152 120.500 0.045 0.000 3.439 289 R HA 0.572 4.912 4.340 -0.001 0.000 0.090 289 R C -0.961 175.378 176.300 0.065 0.000 0.470 289 R CA 0.095 56.230 56.100 0.058 0.000 0.323 289 R CB -0.046 30.276 30.300 0.037 0.000 0.397 289 R HN 0.720 nan 8.270 nan 0.000 0.323 290 G N 0.904 109.726 108.800 0.037 0.000 3.400 290 G HA2 0.476 4.436 3.960 -0.001 0.000 0.679 290 G HA3 0.476 4.436 3.960 -0.001 0.000 0.679 290 G C 0.101 175.005 174.900 0.006 0.000 1.239 290 G CA -0.012 45.102 45.100 0.024 0.000 1.049 290 G HN 1.291 nan 8.290 nan 0.000 0.539 291 A N 0.653 123.476 122.820 0.005 0.000 5.481 291 A HA 0.297 4.617 4.320 -0.001 0.000 0.318 291 A C 1.787 179.371 177.584 -0.000 0.000 1.837 291 A CA 2.713 54.750 52.037 -0.000 0.000 0.717 291 A CB -1.432 17.564 19.000 -0.007 0.000 1.349 291 A HN 2.877 nan 8.150 nan 0.000 0.388 292 A N -1.479 121.338 122.820 -0.005 0.000 2.264 292 A HA 0.679 4.998 4.320 -0.001 0.000 0.304 292 A C 1.990 179.571 177.584 -0.006 0.000 1.100 292 A CA 1.272 53.306 52.037 -0.004 0.000 0.839 292 A CB 0.204 19.201 19.000 -0.005 0.000 1.121 292 A HN 2.929 nan 8.150 nan 0.000 0.496 293 G N -0.151 108.648 108.800 -0.003 0.000 2.212 293 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.266 293 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.266 293 G C 0.841 175.742 174.900 0.003 0.000 0.978 293 G CA 1.018 46.116 45.100 -0.003 0.000 0.632 293 G HN 2.970 nan 8.290 nan 0.000 0.537 294 T N -1.896 112.662 114.554 0.006 0.000 2.781 294 T HA -0.136 4.213 4.350 -0.001 0.000 0.476 294 T C 0.285 174.994 174.700 0.014 0.000 0.785 294 T CA 1.611 63.721 62.100 0.015 0.000 2.497 294 T CB -1.153 67.730 68.868 0.024 0.000 1.663 294 T HN 1.065 nan 8.240 nan 0.000 0.547 295 Q N 0.372 120.174 119.800 0.004 0.000 2.544 295 Q HA 0.407 4.747 4.340 -0.001 0.000 0.194 295 Q C 0.864 176.873 176.000 0.014 0.000 1.104 295 Q CA -0.638 55.150 55.803 -0.026 0.000 1.131 295 Q CB -0.100 28.598 28.738 -0.067 0.000 1.210 295 Q HN 0.748 nan 8.270 nan 0.000 0.639 296 Y N 0.850 121.044 120.300 -0.176 0.000 3.037 296 Y HA -0.245 4.306 4.550 0.000 0.000 0.204 296 Y C -0.273 175.448 175.900 -0.298 0.000 1.275 296 Y CA 0.664 58.540 58.100 -0.373 0.000 1.066 296 Y CB -1.405 36.780 38.460 -0.458 0.000 1.305 296 Y HN 0.440 nan 8.280 nan 0.000 0.499 297 D N -0.151 120.259 120.400 0.015 0.000 2.354 297 D HA 0.177 4.817 4.640 -0.001 0.000 0.247 297 D C -0.049 176.434 176.300 0.306 0.000 1.138 297 D CA -0.571 53.512 54.000 0.138 0.000 0.958 297 D CB 1.159 42.005 40.800 0.077 0.000 1.144 297 D HN 0.265 nan 8.370 nan 0.000 0.458 298 D N 0.160 120.732 120.400 0.286 0.000 2.308 298 D HA 0.170 4.810 4.640 -0.001 0.000 0.251 298 D C 0.156 176.545 176.300 0.149 0.000 1.127 298 D CA -0.039 54.108 54.000 0.244 0.000 0.876 298 D CB 1.216 42.101 40.800 0.141 0.000 1.176 298 D HN 0.404 nan 8.370 nan 0.000 0.446 299 S N 1.725 117.502 115.700 0.129 0.000 2.501 299 S HA 0.303 4.773 4.470 -0.001 0.000 0.301 299 S C -0.265 174.364 174.600 0.048 0.000 1.096 299 S CA -0.972 57.277 58.200 0.081 0.000 1.063 299 S CB 1.972 65.223 63.200 0.084 0.000 1.042 299 S HN 0.378 nan 8.310 nan 0.000 0.494 300 N N 3.204 121.926 118.700 0.037 0.000 2.904 300 N HA 0.228 4.968 4.740 -0.001 0.000 0.257 300 N C -0.852 174.671 175.510 0.021 0.000 1.363 300 N CA -0.290 52.776 53.050 0.026 0.000 0.856 300 N CB 0.555 39.056 38.487 0.024 0.000 1.166 300 N HN 0.634 nan 8.380 nan 0.000 0.499 301 M N 0.795 120.407 119.600 0.020 0.000 2.242 301 M HA 0.353 4.832 4.480 -0.001 0.000 0.344 301 M C 0.907 177.215 176.300 0.014 0.000 1.140 301 M CA -0.369 54.941 55.300 0.017 0.000 1.160 301 M CB 0.879 33.489 32.600 0.018 0.000 1.491 301 M HN 0.301 nan 8.290 nan 0.000 0.459 302 G N 1.983 110.790 108.800 0.012 0.000 2.741 302 G HA2 0.548 4.508 3.960 -0.001 0.000 0.293 302 G HA3 0.548 4.508 3.960 -0.001 0.000 0.293 302 G C -1.591 173.314 174.900 0.009 0.000 1.457 302 G CA -0.317 44.789 45.100 0.010 0.000 1.098 302 G HN 0.557 nan 8.290 nan 0.000 0.536 303 Q N 0.961 120.765 119.800 0.008 0.000 2.285 303 Q HA 0.419 4.759 4.340 -0.001 0.000 0.269 303 Q C -1.069 174.935 176.000 0.006 0.000 1.030 303 Q CA -0.713 55.094 55.803 0.007 0.000 0.788 303 Q CB 1.665 30.407 28.738 0.007 0.000 1.266 303 Q HN 0.493 nan 8.270 nan 0.000 0.438 304 N N 3.385 122.088 118.700 0.006 0.000 2.469 304 N HA 0.357 5.096 4.740 -0.001 0.000 0.253 304 N C -1.414 174.099 175.510 0.005 0.000 0.970 304 N CA -0.358 52.695 53.050 0.005 0.000 0.940 304 N CB 1.131 39.621 38.487 0.005 0.000 1.128 304 N HN 0.490 nan 8.380 nan 0.000 0.503 305 K N -0.258 120.145 120.400 0.005 0.000 2.378 305 K HA 0.621 4.940 4.320 -0.001 0.000 0.252 305 K C -1.107 175.495 176.600 0.005 0.000 0.931 305 K CA -0.897 55.393 56.287 0.005 0.000 0.794 305 K CB 2.445 34.947 32.500 0.004 0.000 1.181 305 K HN 0.080 nan 8.250 nan 0.000 0.425 306 V N 0.918 120.836 119.914 0.006 0.000 2.715 306 V HA 0.876 4.995 4.120 -0.001 0.000 0.310 306 V C -0.731 175.368 176.094 0.007 0.000 1.054 306 V CA -0.079 62.225 62.300 0.006 0.000 0.928 306 V CB 1.724 33.552 31.823 0.008 0.000 1.007 306 V HN 1.044 nan 8.190 nan 0.000 0.437 307 G N 5.209 114.013 108.800 0.007 0.000 2.755 307 G HA2 0.582 4.541 3.960 -0.001 0.000 0.297 307 G HA3 0.582 4.541 3.960 -0.001 0.000 0.297 307 G C -2.015 172.890 174.900 0.008 0.000 1.441 307 G CA -0.688 44.417 45.100 0.008 0.000 0.964 307 G HN 0.819 nan 8.290 nan 0.000 0.540 308 L N 0.456 121.688 121.223 0.015 0.000 2.332 308 L HA 0.843 5.183 4.340 -0.001 0.000 0.269 308 L C 0.414 177.298 176.870 0.023 0.000 1.016 308 L CA -0.969 53.881 54.840 0.018 0.000 0.809 308 L CB 2.372 44.451 42.059 0.032 0.000 1.280 308 L HN 0.509 nan 8.230 nan 0.000 0.447 309 S N 1.095 116.806 115.700 0.017 0.000 2.571 309 S HA 0.369 4.838 4.470 -0.001 0.000 0.238 309 S C -1.058 173.557 174.600 0.025 0.000 1.153 309 S CA -0.540 57.674 58.200 0.023 0.000 1.141 309 S CB 0.221 63.413 63.200 -0.013 0.000 1.133 309 S HN 0.349 nan 8.310 nan 0.000 0.464 310 F N 4.278 124.192 119.950 -0.060 0.000 2.399 310 F HA 0.702 5.229 4.527 -0.001 0.000 0.342 310 F C 0.198 175.975 175.800 -0.038 0.000 1.106 310 F CA 0.177 58.139 58.000 -0.064 0.000 1.196 310 F CB 1.210 40.203 39.000 -0.013 0.000 1.163 310 F HN 0.431 nan 8.300 nan 0.000 0.547 311 S N 7.086 122.262 115.700 -0.874 0.000 2.572 311 S HA 0.663 5.132 4.470 -0.001 0.000 0.274 311 S C -2.116 172.046 174.600 -0.730 0.000 1.150 311 S CA -0.746 57.115 58.200 -0.564 0.000 0.944 311 S CB 1.304 64.330 63.200 -0.290 0.000 1.071 311 S HN 0.892 nan 8.310 nan 0.000 0.479 312 L N 5.768 126.763 121.223 -0.381 0.000 2.441 312 L HA 0.733 5.072 4.340 -0.001 0.000 0.270 312 L C -2.469 174.379 176.870 -0.037 0.000 0.973 312 L CA -1.201 53.532 54.840 -0.179 0.000 0.842 312 L CB 1.650 43.711 42.059 0.003 0.000 1.239 312 L HN 0.601 nan 8.230 nan 0.000 0.406 313 P HA 0.326 nan 4.420 nan 0.000 0.272 313 P C 0.084 177.432 177.300 0.080 0.000 1.223 313 P CA -0.145 62.969 63.100 0.023 0.000 0.784 313 P CB 1.730 33.436 31.700 0.010 0.000 0.923 314 I N -0.251 120.381 120.570 0.103 0.000 3.632 314 I HA 0.138 4.307 4.170 -0.001 0.000 0.246 314 I C 0.119 176.370 176.117 0.224 0.000 1.125 314 I CA 0.202 61.587 61.300 0.142 0.000 1.519 314 I CB -0.001 38.072 38.000 0.121 0.000 1.555 314 I HN 0.215 nan 8.210 nan 0.000 0.452 315 Y N 2.021 122.349 120.300 0.048 0.000 2.376 315 Y HA 0.442 4.992 4.550 -0.000 0.000 0.340 315 Y C -0.501 175.422 175.900 0.037 0.000 0.965 315 Y CA -1.060 57.068 58.100 0.048 0.000 1.078 315 Y CB 1.409 39.891 38.460 0.035 0.000 1.193 315 Y HN 0.088 nan 8.280 nan 0.000 0.452 316 Q N 4.281 123.775 119.800 -0.510 0.000 2.217 316 Q HA 0.283 4.623 4.340 -0.001 0.000 0.340 316 Q C 0.677 176.293 176.000 -0.640 0.000 0.893 316 Q CA 0.145 55.684 55.803 -0.440 0.000 1.142 316 Q CB 0.984 29.597 28.738 -0.208 0.000 1.288 316 Q HN 1.138 nan 8.270 nan 0.000 0.426 317 G N 0.384 108.405 108.800 -1.298 0.000 2.225 317 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.267 317 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.267 317 G C 0.745 175.423 174.900 -0.370 0.000 1.024 317 G CA 0.457 45.108 45.100 -0.749 0.000 0.784 317 G HN 0.858 nan 8.290 nan 0.000 0.507 318 G N -1.273 107.290 108.800 -0.395 0.000 2.153 318 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.252 318 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.252 318 G C 1.080 175.973 174.900 -0.012 0.000 0.994 318 G CA 1.486 46.602 45.100 0.025 0.000 0.698 318 G HN 1.332 nan 8.290 nan 0.000 0.521 319 M N -0.096 119.448 119.600 -0.094 0.000 2.074 319 M HA -0.066 4.414 4.480 -0.001 0.000 0.259 319 M C 2.616 178.892 176.300 -0.040 0.000 1.079 319 M CA 2.656 57.916 55.300 -0.066 0.000 1.119 319 M CB -0.369 32.171 32.600 -0.100 0.000 1.297 319 M HN 0.220 nan 8.290 nan 0.000 0.416 320 V N 1.715 121.588 119.914 -0.069 0.000 2.278 320 V HA -0.346 3.774 4.120 -0.001 0.000 0.251 320 V C 2.355 178.439 176.094 -0.017 0.000 1.062 320 V CA 2.314 64.542 62.300 -0.120 0.000 1.038 320 V CB -1.544 30.072 31.823 -0.344 0.000 0.646 320 V HN 0.619 nan 8.190 nan 0.000 0.447 321 N N -0.242 118.517 118.700 0.097 0.000 2.149 321 N HA -0.174 4.566 4.740 -0.001 0.000 0.188 321 N C 2.162 177.724 175.510 0.086 0.000 1.019 321 N CA 1.864 54.999 53.050 0.141 0.000 0.857 321 N CB -0.162 38.426 38.487 0.168 0.000 0.997 321 N HN 0.489 nan 8.380 nan 0.000 0.426 322 S N 0.416 116.153 115.700 0.062 0.000 2.368 322 S HA -0.054 4.415 4.470 -0.001 0.000 0.224 322 S C 1.784 176.417 174.600 0.056 0.000 1.029 322 S CA 0.955 59.191 58.200 0.061 0.000 0.988 322 S CB -0.045 63.181 63.200 0.044 0.000 0.838 322 S HN 0.401 nan 8.310 nan 0.000 0.462 323 Q N 0.064 119.880 119.800 0.028 0.000 2.135 323 Q HA -0.078 4.262 4.340 -0.001 0.000 0.204 323 Q C 2.181 178.198 176.000 0.028 0.000 0.981 323 Q CA 1.570 57.384 55.803 0.019 0.000 0.856 323 Q CB -0.459 28.271 28.738 -0.014 0.000 0.902 323 Q HN 0.479 nan 8.270 nan 0.000 0.425 324 V N 0.926 120.856 119.914 0.027 0.000 2.809 324 V HA -0.177 3.943 4.120 -0.001 0.000 0.256 324 V C 1.829 177.937 176.094 0.023 0.000 1.080 324 V CA 1.415 63.731 62.300 0.026 0.000 1.102 324 V CB -0.168 31.681 31.823 0.043 0.000 0.705 324 V HN 0.249 nan 8.190 nan 0.000 0.475 325 K N -0.463 119.964 120.400 0.045 0.000 2.076 325 K HA -0.072 4.248 4.320 -0.001 0.000 0.204 325 K C 2.082 178.756 176.600 0.124 0.000 1.051 325 K CA 1.293 57.601 56.287 0.035 0.000 0.949 325 K CB -0.292 32.272 32.500 0.106 0.000 0.726 325 K HN 0.565 nan 8.250 nan 0.000 0.443 326 Q N 0.508 120.409 119.800 0.167 0.000 2.050 326 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 326 Q C 2.145 178.241 176.000 0.159 0.000 0.980 326 Q CA 1.671 57.593 55.803 0.199 0.000 0.840 326 Q CB -0.271 28.538 28.738 0.118 0.000 0.898 326 Q HN 0.313 nan 8.270 nan 0.000 0.424 327 A N 0.832 123.708 122.820 0.094 0.000 1.972 327 A HA -0.254 4.066 4.320 -0.001 0.000 0.219 327 A C 1.940 179.581 177.584 0.096 0.000 1.169 327 A CA 1.481 53.565 52.037 0.078 0.000 0.635 327 A CB -0.370 18.650 19.000 0.035 0.000 0.810 327 A HN 0.356 nan 8.150 nan 0.000 0.446 328 Q N -1.844 117.985 119.800 0.049 0.000 2.049 328 Q HA -0.142 4.197 4.340 -0.001 0.000 0.198 328 Q C 1.886 177.934 176.000 0.079 0.000 0.971 328 Q CA 1.575 57.396 55.803 0.031 0.000 0.833 328 Q CB -0.285 28.382 28.738 -0.118 0.000 0.896 328 Q HN 0.786 nan 8.270 nan 0.000 0.434 329 Y N 1.080 121.442 120.300 0.103 0.000 2.274 329 Y HA -0.203 4.346 4.550 -0.001 0.000 0.290 329 Y C 2.172 178.113 175.900 0.068 0.000 1.145 329 Y CA 0.918 59.062 58.100 0.073 0.000 1.203 329 Y CB -0.347 38.141 38.460 0.047 0.000 0.984 329 Y HN 0.231 nan 8.280 nan 0.000 0.533 330 N N -0.143 118.701 118.700 0.238 0.000 2.120 330 N HA -0.225 4.515 4.740 -0.001 0.000 0.188 330 N C 1.921 177.528 175.510 0.162 0.000 1.024 330 N CA 1.176 54.325 53.050 0.164 0.000 0.852 330 N CB -0.451 38.118 38.487 0.137 0.000 1.003 330 N HN 0.356 nan 8.380 nan 0.000 0.424 331 F N 1.850 121.828 119.950 0.046 0.000 2.216 331 F HA -0.098 4.428 4.527 -0.001 0.000 0.300 331 F C 2.043 177.861 175.800 0.031 0.000 1.085 331 F CA 0.766 58.783 58.000 0.027 0.000 1.326 331 F CB -0.325 38.680 39.000 0.008 0.000 1.027 331 F HN -0.173 nan 8.300 nan 0.000 0.497 332 V N 0.466 120.323 119.914 -0.095 0.000 2.343 332 V HA -0.211 3.909 4.120 -0.001 0.000 0.247 332 V C 2.827 178.836 176.094 -0.141 0.000 1.051 332 V CA 1.891 64.091 62.300 -0.167 0.000 1.036 332 V CB -1.750 30.089 31.823 0.027 0.000 0.654 332 V HN 0.497 nan 8.190 nan 0.000 0.451 333 G N -0.253 108.523 108.800 -0.039 0.000 2.422 333 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 333 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 333 G C 1.709 176.575 174.900 -0.057 0.000 1.146 333 G CA 1.028 46.112 45.100 -0.027 0.000 0.769 333 G HN 0.621 nan 8.290 nan 0.000 0.547 334 A N 0.462 123.237 122.820 -0.075 0.000 2.014 334 A HA 0.135 4.455 4.320 -0.001 0.000 0.218 334 A C 2.661 180.166 177.584 -0.133 0.000 1.163 334 A CA 2.022 54.021 52.037 -0.064 0.000 0.652 334 A CB -0.297 18.708 19.000 0.009 0.000 0.808 334 A HN 0.306 nan 8.150 nan 0.000 0.449 335 S N -0.075 115.456 115.700 -0.281 0.000 2.357 335 S HA -0.094 4.376 4.470 -0.001 0.000 0.221 335 S C 1.840 176.354 174.600 -0.144 0.000 1.031 335 S CA 1.091 59.124 58.200 -0.277 0.000 0.982 335 S CB -0.261 62.667 63.200 -0.453 0.000 0.853 335 S HN 0.602 nan 8.310 nan 0.000 0.458 336 E N 1.338 121.464 120.200 -0.123 0.000 2.118 336 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 336 E C 2.127 178.703 176.600 -0.040 0.000 0.992 336 E CA 0.931 57.290 56.400 -0.068 0.000 0.804 336 E CB -0.354 29.316 29.700 -0.051 0.000 0.741 336 E HN 0.468 nan 8.360 nan 0.000 0.458 337 Q N 0.603 120.381 119.800 -0.037 0.000 2.096 337 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 337 Q C 2.171 178.172 176.000 0.001 0.000 0.982 337 Q CA 1.014 56.810 55.803 -0.012 0.000 0.850 337 Q CB -0.231 28.502 28.738 -0.008 0.000 0.901 337 Q HN 0.217 nan 8.270 nan 0.000 0.422 338 L N 0.506 121.724 121.223 -0.007 0.000 1.994 338 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 338 L C 2.147 179.046 176.870 0.048 0.000 1.071 338 L CA 2.417 57.270 54.840 0.022 0.000 0.745 338 L CB -0.835 41.231 42.059 0.011 0.000 0.892 338 L HN 0.289 nan 8.230 nan 0.000 0.431 339 E N -0.778 119.427 120.200 0.008 0.000 2.130 339 E HA -0.242 4.108 4.350 -0.001 0.000 0.196 339 E C 2.284 178.909 176.600 0.043 0.000 0.998 339 E CA 1.793 58.193 56.400 0.000 0.000 0.806 339 E CB -0.565 29.106 29.700 -0.049 0.000 0.738 339 E HN 0.523 nan 8.360 nan 0.000 0.459 340 S N -1.193 114.524 115.700 0.028 0.000 2.368 340 S HA -0.033 4.437 4.470 -0.001 0.000 0.224 340 S C 1.931 176.560 174.600 0.049 0.000 1.029 340 S CA 1.143 59.361 58.200 0.031 0.000 0.988 340 S CB -0.481 62.728 63.200 0.015 0.000 0.838 340 S HN 0.500 nan 8.310 nan 0.000 0.462 341 A N -0.099 122.752 122.820 0.052 0.000 1.969 341 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 341 A C 1.778 179.395 177.584 0.056 0.000 1.169 341 A CA 1.871 53.934 52.037 0.043 0.000 0.635 341 A CB -1.020 18.000 19.000 0.033 0.000 0.810 341 A HN 0.757 nan 8.150 nan 0.000 0.445 342 H N -0.280 118.788 119.070 -0.005 0.000 2.267 342 H HA -0.085 4.471 4.556 -0.001 0.000 0.297 342 H C 2.359 177.684 175.328 -0.005 0.000 1.080 342 H CA 2.137 58.182 56.048 -0.005 0.000 1.278 342 H CB -0.031 29.726 29.762 -0.008 0.000 1.365 342 H HN 0.364 nan 8.280 nan 0.000 0.489 343 R N -0.231 120.389 120.500 0.200 0.000 2.117 343 R HA -0.170 4.170 4.340 -0.001 0.000 0.243 343 R C 2.684 179.017 176.300 0.055 0.000 1.143 343 R CA 1.230 57.401 56.100 0.118 0.000 0.968 343 R CB -0.465 29.879 30.300 0.073 0.000 0.863 343 R HN 0.321 nan 8.270 nan 0.000 0.444 344 S N 0.479 116.201 115.700 0.036 0.000 2.353 344 S HA -0.126 4.343 4.470 -0.001 0.000 0.222 344 S C 2.103 176.700 174.600 -0.005 0.000 1.035 344 S CA 1.536 59.745 58.200 0.014 0.000 1.025 344 S CB -0.222 62.985 63.200 0.011 0.000 0.902 344 S HN 0.121 nan 8.310 nan 0.000 0.440 345 V N 1.749 121.643 119.914 -0.033 0.000 2.252 345 V HA -0.178 3.942 4.120 -0.001 0.000 0.249 345 V C 2.599 178.661 176.094 -0.053 0.000 1.056 345 V CA 2.062 64.323 62.300 -0.065 0.000 1.022 345 V CB -0.932 30.809 31.823 -0.137 0.000 0.641 345 V HN 0.482 nan 8.190 nan 0.000 0.445 346 V N -0.277 119.606 119.914 -0.051 0.000 2.282 346 V HA -0.334 3.785 4.120 -0.001 0.000 0.249 346 V C 2.507 178.601 176.094 0.000 0.000 1.057 346 V CA 2.368 64.658 62.300 -0.017 0.000 1.032 346 V CB -0.743 31.102 31.823 0.036 0.000 0.645 346 V HN 0.576 nan 8.190 nan 0.000 0.447 347 Q N -0.432 119.374 119.800 0.010 0.000 2.291 347 Q HA -0.154 4.186 4.340 -0.001 0.000 0.205 347 Q C 2.145 178.154 176.000 0.016 0.000 0.970 347 Q CA 1.940 57.752 55.803 0.016 0.000 0.876 347 Q CB -0.096 28.653 28.738 0.018 0.000 0.935 347 Q HN 0.738 nan 8.270 nan 0.000 0.455 348 T N 0.334 114.892 114.554 0.007 0.000 2.814 348 T HA -0.068 4.282 4.350 -0.001 0.000 0.254 348 T C 1.988 176.700 174.700 0.019 0.000 1.037 348 T CA 1.544 63.650 62.100 0.009 0.000 1.143 348 T CB -0.442 68.425 68.868 -0.001 0.000 0.866 348 T HN 0.305 nan 8.240 nan 0.000 0.431 349 V N 1.369 121.289 119.914 0.010 0.000 2.295 349 V HA -0.162 3.958 4.120 -0.001 0.000 0.246 349 V C 2.359 178.492 176.094 0.065 0.000 1.049 349 V CA 1.484 63.800 62.300 0.027 0.000 1.024 349 V CB -0.939 30.881 31.823 -0.005 0.000 0.648 349 V HN 0.284 nan 8.190 nan 0.000 0.447 350 R N 0.563 121.086 120.500 0.037 0.000 2.120 350 R HA -0.055 4.284 4.340 -0.001 0.000 0.234 350 R C 2.548 178.921 176.300 0.121 0.000 1.123 350 R CA 1.632 57.766 56.100 0.057 0.000 0.975 350 R CB -0.433 29.876 30.300 0.014 0.000 0.866 350 R HN 0.592 nan 8.270 nan 0.000 0.446 351 S N -0.218 115.532 115.700 0.083 0.000 2.458 351 S HA 0.018 4.488 4.470 -0.001 0.000 0.223 351 S C 1.807 176.449 174.600 0.071 0.000 1.019 351 S CA 0.528 58.772 58.200 0.074 0.000 0.937 351 S CB 0.309 63.536 63.200 0.044 0.000 0.788 351 S HN 0.216 nan 8.310 nan 0.000 0.511 352 S N 1.082 116.826 115.700 0.073 0.000 2.428 352 S HA 0.046 4.516 4.470 -0.001 0.000 0.230 352 S C 1.403 176.045 174.600 0.070 0.000 1.014 352 S CA 0.589 58.818 58.200 0.049 0.000 0.957 352 S CB -0.260 62.961 63.200 0.035 0.000 0.784 352 S HN 0.581 nan 8.310 nan 0.000 0.499 353 F N 3.283 123.223 119.950 -0.016 0.000 2.128 353 F HA -0.052 4.475 4.527 -0.001 0.000 0.295 353 F C 1.925 177.725 175.800 0.000 0.000 1.100 353 F CA 1.188 59.183 58.000 -0.009 0.000 1.260 353 F CB -0.369 38.629 39.000 -0.005 0.000 1.009 353 F HN 0.095 nan 8.300 nan 0.000 0.476 354 N N 0.850 119.642 118.700 0.155 0.000 2.166 354 N HA -0.179 4.561 4.740 -0.001 0.000 0.186 354 N C 1.360 176.853 175.510 -0.029 0.000 1.019 354 N CA 1.411 54.496 53.050 0.058 0.000 0.856 354 N CB -0.725 37.826 38.487 0.106 0.000 0.993 354 N HN 0.320 nan 8.380 nan 0.000 0.426 355 N N 0.886 119.575 118.700 -0.019 0.000 2.171 355 N HA -0.002 4.738 4.740 -0.001 0.000 0.184 355 N C 1.745 177.224 175.510 -0.053 0.000 1.021 355 N CA 0.270 53.306 53.050 -0.024 0.000 0.854 355 N CB -0.235 38.245 38.487 -0.011 0.000 0.994 355 N HN 0.254 nan 8.380 nan 0.000 0.426 356 I N 0.483 120.986 120.570 -0.112 0.000 2.614 356 I HA -0.153 4.016 4.170 -0.001 0.000 0.258 356 I C 1.054 177.112 176.117 -0.099 0.000 1.189 356 I CA 0.922 62.143 61.300 -0.133 0.000 1.462 356 I CB 0.107 37.981 38.000 -0.209 0.000 1.092 356 I HN 0.081 nan 8.210 nan 0.000 0.442 357 N N 0.741 119.323 118.700 -0.197 0.000 2.368 357 N HA 0.050 4.790 4.740 -0.001 0.000 0.176 357 N C 1.825 177.294 175.510 -0.069 0.000 1.021 357 N CA 1.146 54.093 53.050 -0.172 0.000 0.888 357 N CB -0.134 38.175 38.487 -0.296 0.000 0.995 357 N HN 0.352 nan 8.380 nan 0.000 0.437 358 A N 0.576 123.368 122.820 -0.046 0.000 1.883 358 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 358 A C 2.453 180.048 177.584 0.018 0.000 1.186 358 A CA 1.856 53.888 52.037 -0.009 0.000 0.624 358 A CB -0.820 18.182 19.000 0.004 0.000 0.822 358 A HN 0.243 nan 8.150 nan 0.000 0.444 359 S N -0.134 115.597 115.700 0.052 0.000 2.353 359 S HA -0.163 4.306 4.470 -0.001 0.000 0.222 359 S C 1.845 176.492 174.600 0.079 0.000 1.035 359 S CA 1.519 59.788 58.200 0.116 0.000 1.025 359 S CB -0.576 62.771 63.200 0.245 0.000 0.902 359 S HN 0.514 nan 8.310 nan 0.000 0.440 360 I N 1.295 121.919 120.570 0.091 0.000 2.113 360 I HA -0.277 3.892 4.170 -0.001 0.000 0.242 360 I C 2.449 178.532 176.117 -0.056 0.000 1.064 360 I CA 1.369 62.663 61.300 -0.010 0.000 1.320 360 I CB -0.421 37.592 38.000 0.021 0.000 1.028 360 I HN 0.247 nan 8.210 nan 0.000 0.406 361 S N -0.475 115.201 115.700 -0.041 0.000 2.387 361 S HA -0.147 4.323 4.470 -0.001 0.000 0.226 361 S C 2.129 176.685 174.600 -0.072 0.000 1.026 361 S CA 1.344 59.508 58.200 -0.060 0.000 0.972 361 S CB -0.076 63.092 63.200 -0.053 0.000 0.814 361 S HN 0.367 nan 8.310 nan 0.000 0.477 362 S N 1.202 116.881 115.700 -0.036 0.000 2.368 362 S HA 0.011 4.481 4.470 -0.001 0.000 0.225 362 S C 1.750 176.372 174.600 0.036 0.000 1.030 362 S CA 0.800 58.996 58.200 -0.008 0.000 0.999 362 S CB -0.376 62.879 63.200 0.091 0.000 0.844 362 S HN 0.410 nan 8.310 nan 0.000 0.459 363 I N 1.994 122.564 120.570 -0.001 0.000 2.127 363 I HA -0.238 3.932 4.170 -0.001 0.000 0.241 363 I C 2.141 178.213 176.117 -0.076 0.000 1.075 363 I CA 1.162 62.437 61.300 -0.041 0.000 1.334 363 I CB -0.471 37.437 38.000 -0.154 0.000 1.040 363 I HN 0.293 nan 8.210 nan 0.000 0.405 364 N N 1.004 119.632 118.700 -0.120 0.000 2.205 364 N HA -0.153 4.587 4.740 -0.001 0.000 0.186 364 N C 1.799 177.235 175.510 -0.124 0.000 1.015 364 N CA 1.620 54.589 53.050 -0.135 0.000 0.862 364 N CB -0.329 38.079 38.487 -0.132 0.000 0.986 364 N HN 0.402 nan 8.380 nan 0.000 0.429 365 A N 0.195 122.925 122.820 -0.151 0.000 1.872 365 A HA -0.074 4.245 4.320 -0.001 0.000 0.214 365 A C 1.759 179.206 177.584 -0.228 0.000 1.187 365 A CA 0.858 52.758 52.037 -0.228 0.000 0.614 365 A CB -0.754 18.038 19.000 -0.346 0.000 0.826 365 A HN 0.226 nan 8.150 nan 0.000 0.442 366 Y N 0.028 120.280 120.300 -0.080 0.000 2.373 366 Y HA -0.029 4.521 4.550 -0.001 0.000 0.293 366 Y C 2.280 178.126 175.900 -0.090 0.000 1.129 366 Y CA 1.230 59.282 58.100 -0.080 0.000 1.226 366 Y CB -0.128 38.285 38.460 -0.078 0.000 1.000 366 Y HN 0.262 nan 8.280 nan 0.000 0.549 367 K N 0.136 120.552 120.400 0.027 0.000 2.097 367 K HA -0.263 4.057 4.320 -0.001 0.000 0.206 367 K C 1.991 178.565 176.600 -0.044 0.000 1.049 367 K CA 1.670 57.935 56.287 -0.037 0.000 0.933 367 K CB 0.043 32.483 32.500 -0.100 0.000 0.717 367 K HN 0.246 nan 8.250 nan 0.000 0.442 368 Q N -0.262 119.504 119.800 -0.056 0.000 2.212 368 Q HA 0.080 4.419 4.340 -0.001 0.000 0.199 368 Q C 1.548 177.521 176.000 -0.045 0.000 0.950 368 Q CA 1.231 56.998 55.803 -0.059 0.000 0.863 368 Q CB 0.064 28.756 28.738 -0.077 0.000 0.944 368 Q HN 0.349 nan 8.270 nan 0.000 0.465 369 A N -0.741 122.059 122.820 -0.034 0.000 2.119 369 A HA -0.029 4.291 4.320 -0.001 0.000 0.217 369 A C 1.992 179.581 177.584 0.008 0.000 1.153 369 A CA 1.016 53.048 52.037 -0.008 0.000 0.692 369 A CB -0.268 18.745 19.000 0.021 0.000 0.799 369 A HN 0.263 nan 8.150 nan 0.000 0.458 370 V N -0.747 119.169 119.914 0.004 0.000 2.346 370 V HA -0.155 3.964 4.120 -0.001 0.000 0.244 370 V C 2.538 178.612 176.094 -0.034 0.000 1.037 370 V CA 1.756 64.043 62.300 -0.022 0.000 1.029 370 V CB -0.344 31.465 31.823 -0.023 0.000 0.663 370 V HN 0.363 nan 8.190 nan 0.000 0.454 371 V N -0.442 119.453 119.914 -0.032 0.000 2.392 371 V HA -0.261 3.858 4.120 -0.001 0.000 0.249 371 V C 2.628 178.702 176.094 -0.034 0.000 1.059 371 V CA 2.378 64.658 62.300 -0.033 0.000 1.051 371 V CB -0.730 31.072 31.823 -0.035 0.000 0.658 371 V HN 0.586 nan 8.190 nan 0.000 0.455 372 S N -0.032 115.648 115.700 -0.034 0.000 2.355 372 S HA -0.120 4.350 4.470 -0.001 0.000 0.222 372 S C 2.029 176.607 174.600 -0.036 0.000 1.031 372 S CA 1.470 59.651 58.200 -0.033 0.000 0.993 372 S CB -0.302 62.878 63.200 -0.033 0.000 0.859 372 S HN 0.616 nan 8.310 nan 0.000 0.453 373 A N 0.245 123.040 122.820 -0.041 0.000 2.167 373 A HA 0.077 4.397 4.320 -0.001 0.000 0.214 373 A C 1.928 179.469 177.584 -0.072 0.000 1.151 373 A CA 1.349 53.352 52.037 -0.056 0.000 0.735 373 A CB -0.534 18.427 19.000 -0.064 0.000 0.802 373 A HN 0.602 nan 8.150 nan 0.000 0.467 374 Q N 0.365 120.128 119.800 -0.061 0.000 1.994 374 Q HA -0.073 4.266 4.340 -0.001 0.000 0.198 374 Q C 2.056 178.030 176.000 -0.044 0.000 0.976 374 Q CA 2.301 58.069 55.803 -0.059 0.000 0.828 374 Q CB -0.482 28.230 28.738 -0.044 0.000 0.894 374 Q HN 0.459 nan 8.270 nan 0.000 0.432 375 S N -0.144 115.536 115.700 -0.033 0.000 2.465 375 S HA -0.142 4.328 4.470 -0.001 0.000 0.241 375 S C 1.859 176.446 174.600 -0.022 0.000 1.000 375 S CA 0.985 59.171 58.200 -0.023 0.000 0.964 375 S CB -0.457 62.731 63.200 -0.020 0.000 0.763 375 S HN 0.420 nan 8.310 nan 0.000 0.512 376 S N 0.205 115.887 115.700 -0.030 0.000 2.453 376 S HA 0.128 4.598 4.470 -0.001 0.000 0.231 376 S C 1.091 175.675 174.600 -0.028 0.000 1.005 376 S CA 0.521 58.704 58.200 -0.027 0.000 0.949 376 S CB -0.015 63.164 63.200 -0.034 0.000 0.774 376 S HN 0.333 nan 8.310 nan 0.000 0.510 377 L N 0.767 121.967 121.223 -0.040 0.000 2.959 377 L HA 0.417 4.756 4.340 -0.001 0.000 0.259 377 L C 0.956 177.814 176.870 -0.020 0.000 1.185 377 L CA 0.186 55.002 54.840 -0.040 0.000 0.998 377 L CB 0.782 42.791 42.059 -0.083 0.000 1.337 377 L HN 0.053 nan 8.230 nan 0.000 0.555 378 D N -0.218 120.176 120.400 -0.011 0.000 2.369 378 D HA 0.130 4.769 4.640 -0.001 0.000 0.231 378 D C 2.129 178.441 176.300 0.019 0.000 0.967 378 D CA 1.175 55.178 54.000 0.005 0.000 0.905 378 D CB 0.302 41.101 40.800 -0.002 0.000 1.044 378 D HN 0.190 nan 8.370 nan 0.000 0.487 379 A N 0.655 123.483 122.820 0.012 0.000 1.930 379 A HA 0.008 4.328 4.320 -0.001 0.000 0.215 379 A C 2.034 179.637 177.584 0.032 0.000 1.176 379 A CA 0.742 52.790 52.037 0.017 0.000 0.632 379 A CB -0.415 18.589 19.000 0.007 0.000 0.819 379 A HN 0.142 nan 8.150 nan 0.000 0.445 380 M N -0.617 119.004 119.600 0.034 0.000 2.618 380 M HA 0.049 4.528 4.480 -0.001 0.000 0.240 380 M C 1.079 177.448 176.300 0.115 0.000 1.123 380 M CA 0.563 55.897 55.300 0.057 0.000 1.060 380 M CB 0.121 32.742 32.600 0.034 0.000 1.535 380 M HN 0.332 nan 8.290 nan 0.000 0.507 381 E N -0.011 120.256 120.200 0.111 0.000 2.485 381 E HA 0.057 4.406 4.350 -0.001 0.000 0.194 381 E C 0.754 177.536 176.600 0.304 0.000 1.098 381 E CA 0.497 57.014 56.400 0.196 0.000 0.878 381 E CB 0.065 29.833 29.700 0.114 0.000 0.939 381 E HN 0.481 nan 8.360 nan 0.000 0.503 382 A N -1.362 121.568 122.820 0.183 0.000 2.600 382 A HA 0.361 4.681 4.320 -0.001 0.000 0.252 382 A C 1.752 179.344 177.584 0.013 0.000 1.200 382 A CA 0.225 52.287 52.037 0.042 0.000 0.981 382 A CB 0.276 19.275 19.000 -0.002 0.000 1.207 382 A HN 0.251 nan 8.150 nan 0.000 0.577 383 G N -0.337 108.541 108.800 0.131 0.000 2.744 383 G HA2 0.111 4.070 3.960 -0.001 0.000 0.211 383 G HA3 0.111 4.070 3.960 -0.001 0.000 0.211 383 G C 1.055 176.043 174.900 0.147 0.000 1.143 383 G CA 1.274 46.435 45.100 0.101 0.000 0.788 383 G HN 0.748 nan 8.290 nan 0.000 0.534 384 F N 0.006 119.951 119.950 -0.007 0.000 2.678 384 F HA 0.351 4.878 4.527 -0.001 0.000 0.291 384 F C 1.727 177.523 175.800 -0.006 0.000 1.123 384 F CA 0.086 58.083 58.000 -0.006 0.000 1.395 384 F CB -0.154 38.842 39.000 -0.008 0.000 1.121 384 F HN -0.042 nan 8.300 nan 0.000 0.592 385 S N 0.415 115.596 115.700 -0.865 0.000 2.727 385 S HA 0.137 4.607 4.470 -0.001 0.000 0.226 385 S C 1.227 175.639 174.600 -0.314 0.000 0.963 385 S CA 0.852 58.610 58.200 -0.737 0.000 0.950 385 S CB -0.207 62.624 63.200 -0.615 0.000 0.779 385 S HN 0.508 nan 8.310 nan 0.000 0.532 386 V N -1.328 118.469 119.914 -0.195 0.000 5.138 386 V HA 0.508 4.628 4.120 -0.001 0.000 0.125 386 V C 0.487 176.551 176.094 -0.050 0.000 1.240 386 V CA 0.735 62.974 62.300 -0.101 0.000 0.974 386 V CB 0.504 32.280 31.823 -0.078 0.000 1.164 386 V HN 0.359 nan 8.190 nan 0.000 0.660 387 G N 0.142 108.927 108.800 -0.024 0.000 3.034 387 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.222 387 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.222 387 G C 0.430 175.336 174.900 0.009 0.000 0.980 387 G CA 0.741 45.843 45.100 0.004 0.000 1.008 387 G HN 0.653 nan 8.290 nan 0.000 0.632 388 T N 0.527 115.087 114.554 0.009 0.000 2.622 388 T HA 0.011 4.361 4.350 -0.001 0.000 0.266 388 T C 0.608 175.320 174.700 0.020 0.000 1.047 388 T CA 1.438 63.545 62.100 0.012 0.000 1.159 388 T CB 0.079 68.955 68.868 0.013 0.000 0.863 388 T HN 0.314 nan 8.240 nan 0.000 0.422 389 E N 2.034 122.254 120.200 0.034 0.000 2.244 389 E HA 0.269 4.618 4.350 -0.001 0.000 0.260 389 E C -0.391 176.238 176.600 0.049 0.000 0.884 389 E CA -0.334 56.087 56.400 0.034 0.000 0.777 389 E CB 1.660 31.377 29.700 0.030 0.000 1.197 389 E HN 0.464 nan 8.360 nan 0.000 0.416 390 T N -0.136 114.443 114.554 0.041 0.000 2.946 390 T HA 0.005 4.355 4.350 -0.001 0.000 0.312 390 T C 1.685 176.416 174.700 0.053 0.000 1.066 390 T CA -0.381 61.749 62.100 0.049 0.000 1.138 390 T CB 0.430 69.320 68.868 0.036 0.000 1.014 390 T HN 0.349 nan 8.240 nan 0.000 0.544 391 I N 2.760 123.370 120.570 0.066 0.000 2.285 391 I HA -0.245 3.925 4.170 -0.001 0.000 0.253 391 I C 2.645 178.774 176.117 0.021 0.000 1.104 391 I CA 1.296 62.626 61.300 0.048 0.000 1.372 391 I CB -0.748 37.279 38.000 0.046 0.000 1.057 391 I HN 0.684 nan 8.210 nan 0.000 0.431 392 V N 0.268 120.196 119.914 0.023 0.000 2.317 392 V HA -0.369 3.750 4.120 -0.001 0.000 0.251 392 V C 2.158 178.261 176.094 0.014 0.000 1.065 392 V CA 2.261 64.571 62.300 0.017 0.000 1.049 392 V CB -0.789 31.045 31.823 0.019 0.000 0.651 392 V HN 0.465 nan 8.190 nan 0.000 0.450 393 D N 0.176 120.586 120.400 0.017 0.000 2.097 393 D HA -0.123 4.516 4.640 -0.001 0.000 0.195 393 D C 2.153 178.456 176.300 0.005 0.000 0.989 393 D CA 1.669 55.676 54.000 0.013 0.000 0.827 393 D CB -0.101 40.710 40.800 0.017 0.000 0.966 393 D HN 0.412 nan 8.370 nan 0.000 0.456 394 V N 1.250 121.166 119.914 0.003 0.000 2.667 394 V HA -0.160 3.960 4.120 -0.001 0.000 0.252 394 V C 2.628 178.706 176.094 -0.028 0.000 1.065 394 V CA 0.698 62.987 62.300 -0.019 0.000 1.083 394 V CB -0.385 31.418 31.823 -0.034 0.000 0.692 394 V HN 0.127 nan 8.190 nan 0.000 0.468 395 L N 1.228 122.443 121.223 -0.014 0.000 1.989 395 L HA -0.190 4.150 4.340 -0.001 0.000 0.211 395 L C 2.174 179.052 176.870 0.013 0.000 1.071 395 L CA 2.166 57.005 54.840 -0.001 0.000 0.749 395 L CB -0.509 41.554 42.059 0.007 0.000 0.890 395 L HN 0.573 nan 8.230 nan 0.000 0.431 396 D N -1.110 119.296 120.400 0.011 0.000 2.325 396 D HA 0.014 4.654 4.640 -0.001 0.000 0.225 396 D C 1.428 177.729 176.300 0.002 0.000 1.096 396 D CA 0.711 54.720 54.000 0.014 0.000 0.844 396 D CB 0.273 41.082 40.800 0.015 0.000 0.925 396 D HN 0.226 nan 8.370 nan 0.000 0.513 397 A N 0.581 123.394 122.820 -0.012 0.000 2.044 397 A HA -0.003 4.316 4.320 -0.001 0.000 0.213 397 A C 2.200 179.747 177.584 -0.062 0.000 1.169 397 A CA 1.218 53.236 52.037 -0.032 0.000 0.724 397 A CB -0.684 18.296 19.000 -0.033 0.000 0.840 397 A HN 0.346 nan 8.150 nan 0.000 0.463 398 T N -3.175 111.350 114.554 -0.049 0.000 2.867 398 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 398 T C 1.440 176.123 174.700 -0.028 0.000 1.057 398 T CA 1.815 63.867 62.100 -0.080 0.000 1.136 398 T CB -0.853 68.030 68.868 0.024 0.000 0.874 398 T HN 0.298 nan 8.240 nan 0.000 0.466 399 T N 1.254 115.838 114.554 0.049 0.000 3.624 399 T HA 0.306 4.656 4.350 -0.001 0.000 0.231 399 T C 0.596 175.307 174.700 0.018 0.000 0.865 399 T CA 0.424 62.572 62.100 0.081 0.000 0.926 399 T CB -0.991 67.924 68.868 0.078 0.000 1.189 399 T HN 0.514 nan 8.240 nan 0.000 0.640 400 T N 0.262 114.791 114.554 -0.041 0.000 3.336 400 T HA 0.131 4.481 4.350 -0.001 0.000 0.273 400 T C 1.271 175.908 174.700 -0.104 0.000 0.932 400 T CA -0.270 61.797 62.100 -0.054 0.000 0.995 400 T CB -0.250 68.588 68.868 -0.050 0.000 1.213 400 T HN 0.277 nan 8.240 nan 0.000 0.502 401 L N 0.962 122.061 121.223 -0.207 0.000 2.291 401 L HA 0.172 4.512 4.340 -0.001 0.000 0.214 401 L C 1.615 178.298 176.870 -0.311 0.000 1.120 401 L CA 1.728 56.396 54.840 -0.287 0.000 0.799 401 L CB -0.608 41.210 42.059 -0.400 0.000 0.925 401 L HN 0.256 nan 8.230 nan 0.000 0.446 402 Y N -0.907 119.318 120.300 -0.126 0.000 2.365 402 Y HA 0.021 4.571 4.550 -0.001 0.000 0.293 402 Y C 2.493 178.226 175.900 -0.278 0.000 1.119 402 Y CA 0.585 58.554 58.100 -0.219 0.000 1.203 402 Y CB -0.712 37.681 38.460 -0.111 0.000 1.026 402 Y HN 0.257 nan 8.280 nan 0.000 0.549 403 N N 0.101 118.782 118.700 -0.031 0.000 2.142 403 N HA -0.138 4.601 4.740 -0.001 0.000 0.186 403 N C 2.022 177.447 175.510 -0.141 0.000 1.023 403 N CA 1.287 54.291 53.050 -0.077 0.000 0.852 403 N CB -0.307 38.162 38.487 -0.030 0.000 0.998 403 N HN 0.340 nan 8.380 nan 0.000 0.424 404 A N 2.015 124.769 122.820 -0.110 0.000 1.902 404 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 404 A C 2.157 179.636 177.584 -0.175 0.000 1.181 404 A CA 1.200 53.186 52.037 -0.085 0.000 0.623 404 A CB -0.191 18.796 19.000 -0.023 0.000 0.818 404 A HN 0.081 nan 8.150 nan 0.000 0.443 405 K N -0.480 119.776 120.400 -0.240 0.000 2.211 405 K HA -0.147 4.173 4.320 -0.001 0.000 0.203 405 K C 2.182 178.513 176.600 -0.448 0.000 1.050 405 K CA 1.537 57.627 56.287 -0.328 0.000 0.945 405 K CB -0.175 32.080 32.500 -0.408 0.000 0.732 405 K HN 0.668 nan 8.250 nan 0.000 0.451 406 Q N 1.700 121.214 119.800 -0.477 0.000 2.016 406 Q HA -0.139 4.201 4.340 -0.001 0.000 0.200 406 Q C 1.657 177.524 176.000 -0.223 0.000 0.978 406 Q CA 1.719 57.355 55.803 -0.279 0.000 0.833 406 Q CB -0.092 28.535 28.738 -0.184 0.000 0.895 406 Q HN 0.105 nan 8.270 nan 0.000 0.427 407 E N 0.270 120.241 120.200 -0.382 0.000 2.153 407 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 407 E C 1.993 178.272 176.600 -0.534 0.000 0.988 407 E CA 0.897 56.922 56.400 -0.625 0.000 0.811 407 E CB -0.441 28.431 29.700 -1.379 0.000 0.746 407 E HN 0.375 nan 8.360 nan 0.000 0.466 408 L N 0.987 121.992 121.223 -0.364 0.000 2.017 408 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 408 L C 2.191 178.964 176.870 -0.161 0.000 1.073 408 L CA 2.177 56.917 54.840 -0.166 0.000 0.745 408 L CB -0.774 41.233 42.059 -0.087 0.000 0.894 408 L HN 0.045 nan 8.230 nan 0.000 0.432 409 A N -0.619 122.112 122.820 -0.149 0.000 1.897 409 A HA -0.221 4.099 4.320 -0.001 0.000 0.215 409 A C 2.265 179.681 177.584 -0.279 0.000 1.181 409 A CA 1.551 53.445 52.037 -0.238 0.000 0.620 409 A CB -1.009 17.953 19.000 -0.063 0.000 0.821 409 A HN 0.689 nan 8.150 nan 0.000 0.443 410 N N 0.648 119.283 118.700 -0.108 0.000 2.036 410 N HA -0.207 4.533 4.740 -0.001 0.000 0.195 410 N C 1.913 177.400 175.510 -0.037 0.000 1.037 410 N CA 1.848 54.886 53.050 -0.021 0.000 0.855 410 N CB -0.247 38.209 38.487 -0.052 0.000 1.033 410 N HN 0.357 nan 8.380 nan 0.000 0.423 411 A N 1.066 123.838 122.820 -0.080 0.000 1.969 411 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 411 A C 2.316 179.886 177.584 -0.025 0.000 1.169 411 A CA 0.816 52.844 52.037 -0.015 0.000 0.635 411 A CB -0.415 18.608 19.000 0.038 0.000 0.810 411 A HN 0.358 nan 8.150 nan 0.000 0.445 412 R N -1.818 118.601 120.500 -0.135 0.000 2.075 412 R HA -0.115 4.225 4.340 -0.001 0.000 0.232 412 R C 1.914 178.131 176.300 -0.139 0.000 1.126 412 R CA 1.747 57.738 56.100 -0.181 0.000 0.963 412 R CB -0.369 29.745 30.300 -0.308 0.000 0.858 412 R HN 0.646 nan 8.270 nan 0.000 0.435 413 Y N 0.173 120.419 120.300 -0.091 0.000 2.184 413 Y HA -0.121 4.429 4.550 -0.001 0.000 0.290 413 Y C 2.118 177.860 175.900 -0.263 0.000 1.129 413 Y CA 0.891 58.818 58.100 -0.288 0.000 1.144 413 Y CB -0.826 37.525 38.460 -0.183 0.000 0.995 413 Y HN 0.068 nan 8.280 nan 0.000 0.513 414 N N -0.340 118.391 118.700 0.052 0.000 2.272 414 N HA -0.259 4.481 4.740 -0.001 0.000 0.185 414 N C 1.736 177.252 175.510 0.010 0.000 1.014 414 N CA 1.109 54.172 53.050 0.023 0.000 0.870 414 N CB -0.554 37.959 38.487 0.044 0.000 0.975 414 N HN 0.447 nan 8.380 nan 0.000 0.433 415 Y N 0.097 120.347 120.300 -0.084 0.000 2.163 415 Y HA -0.096 4.454 4.550 -0.001 0.000 0.288 415 Y C 1.876 177.717 175.900 -0.097 0.000 1.136 415 Y CA 1.192 59.245 58.100 -0.078 0.000 1.147 415 Y CB -0.280 38.140 38.460 -0.068 0.000 0.987 415 Y HN 0.013 nan 8.280 nan 0.000 0.509 416 L N 0.349 121.513 121.223 -0.099 0.000 2.083 416 L HA -0.237 4.103 4.340 -0.001 0.000 0.209 416 L C 2.338 179.078 176.870 -0.216 0.000 1.083 416 L CA 1.435 56.148 54.840 -0.212 0.000 0.752 416 L CB -1.345 40.489 42.059 -0.374 0.000 0.899 416 L HN 0.398 nan 8.230 nan 0.000 0.433 417 I N -0.485 119.968 120.570 -0.195 0.000 2.252 417 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 417 I C 2.022 178.079 176.117 -0.101 0.000 1.102 417 I CA 1.100 62.352 61.300 -0.080 0.000 1.385 417 I CB -1.328 36.657 38.000 -0.026 0.000 1.064 417 I HN 0.345 nan 8.210 nan 0.000 0.414 418 N N 0.386 118.995 118.700 -0.153 0.000 2.364 418 N HA -0.176 4.564 4.740 -0.001 0.000 0.183 418 N C 1.848 177.233 175.510 -0.207 0.000 1.022 418 N CA 0.613 53.566 53.050 -0.161 0.000 0.883 418 N CB 0.040 38.426 38.487 -0.167 0.000 0.965 418 N HN 0.447 nan 8.380 nan 0.000 0.438 419 Q N 0.010 119.634 119.800 -0.294 0.000 2.083 419 Q HA -0.082 4.257 4.340 -0.001 0.000 0.198 419 Q C 1.720 177.642 176.000 -0.130 0.000 0.969 419 Q CA 0.920 56.572 55.803 -0.253 0.000 0.838 419 Q CB 0.054 28.610 28.738 -0.304 0.000 0.900 419 Q HN 0.339 nan 8.270 nan 0.000 0.436 420 L N 0.957 122.121 121.223 -0.098 0.000 2.072 420 L HA -0.148 4.192 4.340 -0.001 0.000 0.205 420 L C 1.897 178.736 176.870 -0.051 0.000 1.079 420 L CA 1.080 55.883 54.840 -0.061 0.000 0.752 420 L CB -0.509 41.528 42.059 -0.037 0.000 0.906 420 L HN 0.151 nan 8.230 nan 0.000 0.436 421 N N -0.187 118.483 118.700 -0.050 0.000 2.205 421 N HA -0.209 4.530 4.740 -0.001 0.000 0.186 421 N C 1.932 177.426 175.510 -0.027 0.000 1.015 421 N CA 1.469 54.499 53.050 -0.033 0.000 0.862 421 N CB -0.195 38.274 38.487 -0.030 0.000 0.986 421 N HN 0.417 nan 8.380 nan 0.000 0.429 422 I N 0.743 121.293 120.570 -0.034 0.000 2.286 422 I HA -0.161 4.009 4.170 -0.001 0.000 0.245 422 I C 1.660 177.767 176.117 -0.016 0.000 1.104 422 I CA 1.093 62.385 61.300 -0.014 0.000 1.397 422 I CB 0.095 38.092 38.000 -0.006 0.000 1.072 422 I HN -0.081 nan 8.210 nan 0.000 0.417 423 K N 0.626 121.008 120.400 -0.030 0.000 2.063 423 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 423 K C 2.279 178.862 176.600 -0.028 0.000 1.048 423 K CA 1.625 57.895 56.287 -0.030 0.000 0.928 423 K CB -0.755 31.720 32.500 -0.041 0.000 0.713 423 K HN 0.361 nan 8.250 nan 0.000 0.442 424 S N 0.912 116.594 115.700 -0.030 0.000 2.359 424 S HA -0.162 4.308 4.470 -0.001 0.000 0.224 424 S C 2.098 176.685 174.600 -0.021 0.000 1.035 424 S CA 1.515 59.699 58.200 -0.027 0.000 1.018 424 S CB -0.173 63.012 63.200 -0.025 0.000 0.876 424 S HN 0.369 nan 8.310 nan 0.000 0.448 425 A N 0.921 123.730 122.820 -0.018 0.000 1.969 425 A HA 0.131 4.450 4.320 -0.001 0.000 0.218 425 A C 2.142 179.713 177.584 -0.020 0.000 1.169 425 A CA 1.228 53.255 52.037 -0.017 0.000 0.635 425 A CB -0.644 18.351 19.000 -0.009 0.000 0.810 425 A HN 0.590 nan 8.150 nan 0.000 0.445 426 L N -1.318 119.895 121.223 -0.017 0.000 2.376 426 L HA 0.103 4.443 4.340 -0.001 0.000 0.219 426 L C 1.730 178.590 176.870 -0.018 0.000 1.133 426 L CA 0.683 55.513 54.840 -0.017 0.000 0.816 426 L CB -0.310 41.743 42.059 -0.011 0.000 0.933 426 L HN 0.580 nan 8.230 nan 0.000 0.449 427 G N 0.050 108.838 108.800 -0.019 0.000 2.137 427 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.237 427 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.237 427 G C 0.603 175.493 174.900 -0.017 0.000 1.002 427 G CA 0.490 45.580 45.100 -0.018 0.000 0.702 427 G HN 0.378 nan 8.290 nan 0.000 0.515 428 T N -2.591 111.951 114.554 -0.020 0.000 3.170 428 T HA 0.510 4.860 4.350 -0.001 0.000 0.288 428 T C 0.683 175.365 174.700 -0.030 0.000 0.992 428 T CA 0.111 62.199 62.100 -0.020 0.000 0.909 428 T CB 0.706 69.565 68.868 -0.015 0.000 1.133 428 T HN 0.903 nan 8.240 nan 0.000 0.530 429 L N 3.393 124.594 121.223 -0.038 0.000 2.660 429 L HA 0.318 4.658 4.340 -0.001 0.000 0.272 429 L C 0.160 176.991 176.870 -0.065 0.000 1.194 429 L CA 0.497 55.303 54.840 -0.055 0.000 0.945 429 L CB -0.490 41.533 42.059 -0.059 0.000 1.212 429 L HN 0.416 nan 8.230 nan 0.000 0.490 430 N N 2.319 120.972 118.700 -0.078 0.000 3.038 430 N HA 0.193 4.932 4.740 -0.001 0.000 0.307 430 N C 0.114 175.549 175.510 -0.125 0.000 1.441 430 N CA -0.614 52.391 53.050 -0.076 0.000 0.772 430 N CB 1.316 39.777 38.487 -0.044 0.000 1.651 430 N HN 0.573 nan 8.380 nan 0.000 0.593 431 E N 0.401 120.542 120.200 -0.099 0.000 2.208 431 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 431 E C 1.287 177.829 176.600 -0.096 0.000 0.988 431 E CA 1.186 57.514 56.400 -0.121 0.000 0.828 431 E CB 0.048 29.738 29.700 -0.018 0.000 0.763 431 E HN 0.415 nan 8.360 nan 0.000 0.478 432 Q N 0.659 120.422 119.800 -0.062 0.000 2.181 432 Q HA -0.156 4.183 4.340 -0.001 0.000 0.205 432 Q C 1.319 177.286 176.000 -0.055 0.000 0.980 432 Q CA 1.347 57.122 55.803 -0.046 0.000 0.862 432 Q CB -0.096 28.623 28.738 -0.031 0.000 0.905 432 Q HN 0.357 nan 8.270 nan 0.000 0.429 433 D N -0.784 119.572 120.400 -0.074 0.000 2.144 433 D HA -0.134 4.505 4.640 -0.001 0.000 0.199 433 D C 1.448 177.699 176.300 -0.081 0.000 0.984 433 D CA 0.796 54.753 54.000 -0.071 0.000 0.834 433 D CB 0.172 40.923 40.800 -0.082 0.000 0.955 433 D HN 0.199 nan 8.370 nan 0.000 0.465 434 L N 1.027 122.173 121.223 -0.129 0.000 2.131 434 L HA -0.038 4.302 4.340 -0.001 0.000 0.206 434 L C 2.193 179.005 176.870 -0.096 0.000 1.087 434 L CA 0.663 55.413 54.840 -0.149 0.000 0.767 434 L CB -0.726 41.176 42.059 -0.261 0.000 0.917 434 L HN 0.086 nan 8.230 nan 0.000 0.441 435 L N -0.219 120.961 121.223 -0.072 0.000 2.083 435 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 435 L C 2.389 179.244 176.870 -0.026 0.000 1.083 435 L CA 1.884 56.700 54.840 -0.041 0.000 0.752 435 L CB -0.810 41.232 42.059 -0.029 0.000 0.899 435 L HN 0.312 nan 8.230 nan 0.000 0.433 436 A N -0.462 122.343 122.820 -0.024 0.000 2.070 436 A HA -0.134 4.185 4.320 -0.001 0.000 0.220 436 A C 1.993 179.582 177.584 0.009 0.000 1.159 436 A CA 1.038 53.070 52.037 -0.008 0.000 0.656 436 A CB -0.396 18.599 19.000 -0.008 0.000 0.800 436 A HN 0.535 nan 8.150 nan 0.000 0.453 437 L N -0.607 120.621 121.223 0.008 0.000 2.628 437 L HA 0.081 4.420 4.340 -0.001 0.000 0.229 437 L C 1.332 178.224 176.870 0.036 0.000 1.137 437 L CA -0.219 54.647 54.840 0.044 0.000 0.909 437 L CB -0.346 41.758 42.059 0.075 0.000 1.137 437 L HN 0.228 nan 8.230 nan 0.000 0.470 438 N N 1.260 119.966 118.700 0.009 0.000 2.166 438 N HA -0.151 4.588 4.740 -0.001 0.000 0.186 438 N C 1.462 176.990 175.510 0.030 0.000 1.019 438 N CA 1.328 54.384 53.050 0.010 0.000 0.856 438 N CB -0.204 38.282 38.487 -0.001 0.000 0.993 438 N HN 0.370 nan 8.380 nan 0.000 0.426 439 N N 0.609 119.326 118.700 0.029 0.000 2.244 439 N HA -0.003 4.736 4.740 -0.001 0.000 0.183 439 N C 1.473 177.013 175.510 0.049 0.000 1.016 439 N CA 1.109 54.176 53.050 0.029 0.000 0.866 439 N CB -0.332 38.163 38.487 0.013 0.000 0.980 439 N HN 0.216 nan 8.380 nan 0.000 0.430 440 A N -0.138 122.725 122.820 0.071 0.000 2.067 440 A HA 0.082 4.402 4.320 -0.001 0.000 0.219 440 A C 0.684 178.352 177.584 0.141 0.000 1.158 440 A CA 0.736 52.839 52.037 0.110 0.000 0.661 440 A CB -0.233 18.855 19.000 0.145 0.000 0.801 440 A HN 0.083 nan 8.150 nan 0.000 0.452 441 L N -1.976 119.321 121.223 0.124 0.000 2.492 441 L HA 0.616 4.956 4.340 -0.001 0.000 0.263 441 L C 1.365 178.286 176.870 0.086 0.000 1.062 441 L CA 1.146 56.063 54.840 0.128 0.000 0.817 441 L CB 1.515 43.646 42.059 0.119 0.000 1.441 441 L HN 0.499 nan 8.230 nan 0.000 0.493 442 S N -2.437 113.311 115.700 0.079 0.000 6.924 442 S HA -0.085 4.384 4.470 -0.001 0.000 0.057 442 S C 0.184 174.815 174.600 0.053 0.000 1.385 442 S CA -0.326 57.908 58.200 0.057 0.000 1.160 442 S CB -0.742 62.488 63.200 0.049 0.000 1.302 442 S HN 0.389 nan 8.310 nan 0.000 0.521 443 K N 4.808 125.243 120.400 0.057 0.000 2.351 443 K HA 0.358 4.678 4.320 -0.001 0.000 0.287 443 K C -2.839 173.784 176.600 0.039 0.000 1.068 443 K CA -1.623 54.691 56.287 0.046 0.000 0.998 443 K CB 0.214 32.744 32.500 0.049 0.000 0.968 443 K HN 0.206 nan 8.250 nan 0.000 0.464 444 P HA 0.039 nan 4.420 nan 0.000 0.271 444 P C -1.180 176.122 177.300 0.003 0.000 1.220 444 P CA -0.365 62.745 63.100 0.017 0.000 0.768 444 P CB 1.095 32.806 31.700 0.019 0.000 0.848 445 V N 2.594 122.498 119.914 -0.016 0.000 2.709 445 V HA 0.320 4.439 4.120 -0.001 0.000 0.308 445 V C 0.397 176.463 176.094 -0.047 0.000 1.062 445 V CA -0.658 61.623 62.300 -0.031 0.000 0.901 445 V CB 2.027 33.828 31.823 -0.037 0.000 1.003 445 V HN 0.537 nan 8.190 nan 0.000 0.425 446 S N 2.345 118.023 115.700 -0.037 0.000 2.576 446 S HA 0.151 4.620 4.470 -0.001 0.000 0.272 446 S C 1.062 175.631 174.600 -0.052 0.000 1.352 446 S CA 0.574 58.754 58.200 -0.032 0.000 1.021 446 S CB 0.887 64.078 63.200 -0.016 0.000 0.887 446 S HN 1.123 nan 8.310 nan 0.000 0.542 447 T N 0.191 114.720 114.554 -0.041 0.000 3.145 447 T HA 0.333 4.683 4.350 -0.001 0.000 0.281 447 T C -0.005 174.709 174.700 0.023 0.000 1.003 447 T CA -0.505 61.567 62.100 -0.047 0.000 0.901 447 T CB -0.252 68.546 68.868 -0.116 0.000 1.112 447 T HN 0.470 nan 8.240 nan 0.000 0.535 448 N N 2.241 120.964 118.700 0.038 0.000 2.700 448 N HA 0.359 5.099 4.740 -0.001 0.000 0.242 448 N C -3.263 172.260 175.510 0.022 0.000 1.541 448 N CA -1.060 52.021 53.050 0.053 0.000 0.764 448 N CB 1.106 39.658 38.487 0.109 0.000 1.319 448 N HN 0.181 nan 8.380 nan 0.000 0.518 449 P HA 0.341 nan 4.420 nan 0.000 0.274 449 P C 0.064 177.357 177.300 -0.011 0.000 1.246 449 P CA -0.026 63.068 63.100 -0.010 0.000 0.795 449 P CB 1.212 32.897 31.700 -0.025 0.000 1.006 450 E N -0.574 119.618 120.200 -0.013 0.000 2.562 450 E HA 0.433 4.782 4.350 -0.001 0.000 0.214 450 E C 0.389 176.977 176.600 -0.021 0.000 0.979 450 E CA -0.008 56.383 56.400 -0.015 0.000 1.002 450 E CB 0.580 30.273 29.700 -0.011 0.000 1.048 450 E HN 0.352 nan 8.360 nan 0.000 0.488 451 L N 0.000 121.209 121.223 -0.023 0.000 2.949 451 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 451 L CA 0.000 nan 54.840 nan 0.000 0.813 451 L CB 0.000 nan 42.059 nan 0.000 0.961 451 L HN 0.000 nan 8.230 nan 0.000 0.502