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 1ecf_1_B DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMPGQQ LRRKSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFLDT LRNDDAKAVQ RQNEVENLEM 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.939 174.990 -0.084 0.000 1.270 1 C CA 0.000 59.006 59.018 -0.020 0.000 1.963 1 C CB 0.000 27.714 27.740 -0.044 0.000 2.134 2 G N 0.354 109.002 108.800 -0.253 0.000 2.612 2 G HA2 0.893 4.853 3.960 0.000 0.000 0.298 2 G HA3 0.893 4.853 3.960 0.000 0.000 0.298 2 G C -1.298 173.487 174.900 -0.192 0.000 1.336 2 G CA -0.556 44.438 45.100 -0.176 0.000 0.953 2 G HN 1.186 nan 8.290 nan 0.000 0.482 3 I N -1.698 118.831 120.570 -0.069 0.000 2.934 3 I HA 0.910 5.080 4.170 0.000 0.000 0.306 3 I C -1.124 174.988 176.117 -0.009 0.000 1.110 3 I CA -1.415 59.884 61.300 -0.001 0.000 1.019 3 I CB 2.448 40.488 38.000 0.066 0.000 1.227 3 I HN 0.347 nan 8.210 nan 0.000 0.434 4 V N 1.575 121.491 119.914 0.003 0.000 2.932 4 V HA 0.866 4.986 4.120 0.000 0.000 0.307 4 V C -0.182 175.913 176.094 0.000 0.000 1.147 4 V CA -0.334 61.956 62.300 -0.017 0.000 0.951 4 V CB 2.060 33.856 31.823 -0.045 0.000 1.031 4 V HN 1.134 nan 8.190 nan 0.000 0.426 5 G N 3.276 112.073 108.800 -0.005 0.000 2.719 5 G HA2 0.791 4.751 3.960 0.000 0.000 0.298 5 G HA3 0.791 4.751 3.960 0.000 0.000 0.298 5 G C -1.542 173.359 174.900 0.002 0.000 1.433 5 G CA -0.408 44.706 45.100 0.024 0.000 1.034 5 G HN 0.575 nan 8.290 nan 0.000 0.517 6 I N 1.423 122.003 120.570 0.018 0.000 2.466 6 I HA 0.554 4.724 4.170 0.000 0.000 0.289 6 I C 0.111 176.284 176.117 0.094 0.000 1.026 6 I CA -1.076 60.236 61.300 0.021 0.000 1.078 6 I CB 2.480 40.468 38.000 -0.020 0.000 1.249 6 I HN 0.578 nan 8.210 nan 0.000 0.429 7 A N 5.118 128.026 122.820 0.146 0.000 2.511 7 A HA 0.776 5.096 4.320 0.000 0.000 0.340 7 A C 0.165 177.848 177.584 0.165 0.000 1.396 7 A CA -0.357 51.773 52.037 0.155 0.000 0.887 7 A CB 0.288 19.393 19.000 0.174 0.000 1.145 7 A HN 0.848 nan 8.150 nan 0.000 0.497 8 G N -0.419 108.459 108.800 0.130 0.000 2.753 8 G HA2 0.510 4.470 3.960 0.000 0.000 0.285 8 G HA3 0.510 4.470 3.960 0.000 0.000 0.285 8 G C 0.564 175.506 174.900 0.070 0.000 1.344 8 G CA 0.209 45.377 45.100 0.114 0.000 1.050 8 G HN 1.310 nan 8.290 nan 0.000 0.532 9 V N -3.060 116.880 119.914 0.044 0.000 3.477 9 V HA 0.476 4.596 4.120 0.000 0.000 0.297 9 V C 0.536 176.642 176.094 0.021 0.000 1.433 9 V CA 0.291 62.605 62.300 0.024 0.000 1.052 9 V CB -1.017 30.807 31.823 0.001 0.000 0.895 9 V HN 0.684 nan 8.190 nan 0.000 0.438 10 M N -1.849 117.770 119.600 0.031 0.000 2.664 10 M HA 0.776 5.256 4.480 0.000 0.000 0.279 10 M C -3.150 173.173 176.300 0.038 0.000 1.275 10 M CA -1.942 53.374 55.300 0.027 0.000 0.829 10 M CB 1.329 33.940 32.600 0.019 0.000 1.727 10 M HN -0.291 nan 8.290 nan 0.000 0.459 11 P HA -0.028 nan 4.420 nan 0.000 0.260 11 P C 0.759 178.082 177.300 0.039 0.000 1.172 11 P CA -0.034 63.085 63.100 0.032 0.000 0.760 11 P CB 0.389 32.102 31.700 0.022 0.000 0.773 12 V N 0.959 120.898 119.914 0.041 0.000 3.650 12 V HA -0.029 4.091 4.120 0.000 0.000 0.271 12 V C 1.674 177.780 176.094 0.019 0.000 1.281 12 V CA 0.852 63.178 62.300 0.042 0.000 1.120 12 V CB -1.044 30.808 31.823 0.048 0.000 0.856 12 V HN 0.385 nan 8.190 nan 0.000 0.443 13 N N 2.293 120.997 118.700 0.008 0.000 2.061 13 N HA -0.320 4.420 4.740 0.000 0.000 0.193 13 N C 1.763 177.255 175.510 -0.029 0.000 1.030 13 N CA 2.443 55.481 53.050 -0.019 0.000 0.856 13 N CB -0.806 37.671 38.487 -0.017 0.000 1.023 13 N HN 0.600 nan 8.380 nan 0.000 0.424 14 Q N 0.311 120.097 119.800 -0.023 0.000 2.119 14 Q HA 0.111 4.451 4.340 0.000 0.000 0.201 14 Q C 1.812 177.843 176.000 0.052 0.000 0.972 14 Q CA 1.569 57.358 55.803 -0.023 0.000 0.847 14 Q CB -0.288 28.430 28.738 -0.034 0.000 0.903 14 Q HN 0.452 nan 8.270 nan 0.000 0.433 15 S N -0.184 115.544 115.700 0.047 0.000 2.383 15 S HA -0.043 4.427 4.470 0.000 0.000 0.227 15 S C 1.803 176.420 174.600 0.028 0.000 1.026 15 S CA 1.120 59.355 58.200 0.058 0.000 0.981 15 S CB -0.214 63.031 63.200 0.075 0.000 0.818 15 S HN 0.393 nan 8.310 nan 0.000 0.472 16 I N 0.243 120.816 120.570 0.004 0.000 2.252 16 I HA -0.185 3.985 4.170 0.000 0.000 0.245 16 I C 2.276 178.370 176.117 -0.039 0.000 1.102 16 I CA 1.283 62.561 61.300 -0.036 0.000 1.385 16 I CB -0.365 37.600 38.000 -0.058 0.000 1.064 16 I HN 0.275 nan 8.210 nan 0.000 0.414 17 Y N 2.073 122.262 120.300 -0.186 0.000 2.128 17 Y HA -0.342 4.208 4.550 0.000 0.000 0.284 17 Y C 2.179 178.028 175.900 -0.085 0.000 1.154 17 Y CA 1.937 59.912 58.100 -0.208 0.000 1.149 17 Y CB -0.334 38.005 38.460 -0.202 0.000 0.976 17 Y HN 0.198 nan 8.280 nan 0.000 0.505 18 D N 0.148 120.675 120.400 0.212 0.000 2.117 18 D HA -0.158 4.482 4.640 0.000 0.000 0.197 18 D C 2.307 178.609 176.300 0.004 0.000 0.987 18 D CA 1.429 55.501 54.000 0.121 0.000 0.829 18 D CB -0.609 40.277 40.800 0.144 0.000 0.961 18 D HN 0.505 nan 8.370 nan 0.000 0.460 19 A N 0.946 123.758 122.820 -0.012 0.000 1.877 19 A HA -0.130 4.190 4.320 0.000 0.000 0.216 19 A C 2.408 179.955 177.584 -0.063 0.000 1.186 19 A CA 0.924 52.938 52.037 -0.037 0.000 0.620 19 A CB -0.844 18.119 19.000 -0.061 0.000 0.822 19 A HN 0.204 nan 8.150 nan 0.000 0.443 20 L N 0.134 121.295 121.223 -0.103 0.000 2.131 20 L HA -0.188 4.152 4.340 0.000 0.000 0.210 20 L C 3.006 179.792 176.870 -0.140 0.000 1.092 20 L CA 1.837 56.600 54.840 -0.128 0.000 0.759 20 L CB -1.039 40.933 42.059 -0.145 0.000 0.903 20 L HN 0.703 nan 8.230 nan 0.000 0.435 21 T N -2.352 112.096 114.554 -0.177 0.000 2.833 21 T HA -0.135 4.215 4.350 0.000 0.000 0.269 21 T C 1.615 176.286 174.700 -0.047 0.000 1.054 21 T CA 1.320 63.335 62.100 -0.142 0.000 1.135 21 T CB -0.789 67.987 68.868 -0.154 0.000 0.869 21 T HN 0.306 nan 8.240 nan 0.000 0.466 22 V N -1.823 118.081 119.914 -0.016 0.000 3.461 22 V HA 0.363 4.483 4.120 0.000 0.000 0.267 22 V C 1.734 177.898 176.094 0.116 0.000 1.186 22 V CA 0.389 62.715 62.300 0.042 0.000 1.154 22 V CB -0.744 31.101 31.823 0.036 0.000 0.802 22 V HN 0.284 nan 8.190 nan 0.000 0.474 23 L N 0.094 121.324 121.223 0.011 0.000 2.693 23 L HA 0.371 4.711 4.340 0.000 0.000 0.235 23 L C 2.117 178.804 176.870 -0.305 0.000 1.127 23 L CA 0.919 55.687 54.840 -0.120 0.000 0.914 23 L CB -0.205 41.779 42.059 -0.125 0.000 1.193 23 L HN 0.408 nan 8.230 nan 0.000 0.502 24 Q N 0.232 119.957 119.800 -0.124 0.000 2.197 24 Q HA -0.245 4.095 4.340 0.000 0.000 0.207 24 Q C 2.144 178.051 176.000 -0.156 0.000 0.984 24 Q CA 1.960 57.690 55.803 -0.122 0.000 0.869 24 Q CB -0.140 28.563 28.738 -0.058 0.000 0.906 24 Q HN 0.692 nan 8.270 nan 0.000 0.426 25 H N -1.164 117.833 119.070 -0.122 0.000 2.518 25 H HA -0.014 4.542 4.556 0.000 0.000 0.289 25 H C 1.058 176.233 175.328 -0.256 0.000 1.051 25 H CA 1.255 57.205 56.048 -0.162 0.000 1.280 25 H CB -0.187 29.464 29.762 -0.186 0.000 1.380 25 H HN 0.326 nan 8.280 nan 0.000 0.566 26 R N 0.716 120.746 120.500 -0.782 0.000 2.299 26 R HA 0.206 4.546 4.340 0.000 0.000 0.197 26 R C 0.234 176.544 176.300 0.016 0.000 0.971 26 R CA 0.575 56.374 56.100 -0.501 0.000 1.030 26 R CB 0.637 30.714 30.300 -0.373 0.000 0.932 26 R HN 0.439 nan 8.270 nan 0.000 0.477 27 G N 0.461 109.254 108.800 -0.012 0.000 2.093 27 G HA2 0.074 4.034 3.960 0.000 0.000 0.298 27 G HA3 0.074 4.034 3.960 0.000 0.000 0.298 27 G C -0.805 174.057 174.900 -0.063 0.000 1.713 27 G CA -0.727 44.412 45.100 0.066 0.000 0.907 27 G HN -0.007 nan 8.290 nan 0.000 0.702 28 Q N 0.851 120.585 119.800 -0.109 0.000 2.194 28 Q HA 0.207 4.547 4.340 0.000 0.000 0.214 28 Q C 1.328 177.269 176.000 -0.100 0.000 0.838 28 Q CA 0.101 55.845 55.803 -0.098 0.000 0.972 28 Q CB 1.167 29.848 28.738 -0.096 0.000 1.131 28 Q HN 0.638 nan 8.270 nan 0.000 0.498 29 D N 0.499 120.833 120.400 -0.109 0.000 2.162 29 D HA 0.098 4.738 4.640 0.000 0.000 0.203 29 D C 0.058 176.326 176.300 -0.053 0.000 0.967 29 D CA 0.900 54.847 54.000 -0.087 0.000 0.840 29 D CB 0.427 41.176 40.800 -0.085 0.000 0.972 29 D HN 0.229 nan 8.370 nan 0.000 0.482 30 A N -1.190 121.611 122.820 -0.032 0.000 2.599 30 A HA 0.795 5.115 4.320 0.000 0.000 0.290 30 A C -1.624 175.962 177.584 0.004 0.000 1.101 30 A CA -0.236 51.786 52.037 -0.025 0.000 0.674 30 A CB 1.264 20.262 19.000 -0.004 0.000 1.277 30 A HN 0.295 nan 8.150 nan 0.000 0.419 31 A N -0.742 122.078 122.820 0.001 0.000 2.572 31 A HA 0.960 5.280 4.320 0.000 0.000 0.295 31 A C -0.271 177.404 177.584 0.150 0.000 1.072 31 A CA -0.096 52.004 52.037 0.106 0.000 0.691 31 A CB 1.641 20.753 19.000 0.186 0.000 1.291 31 A HN 2.498 nan 8.150 nan 0.000 0.404 32 G N -0.068 108.916 108.800 0.306 0.000 2.746 32 G HA2 0.607 4.567 3.960 0.000 0.000 0.297 32 G HA3 0.607 4.567 3.960 0.000 0.000 0.297 32 G C -1.572 173.504 174.900 0.295 0.000 1.426 32 G CA -0.370 44.913 45.100 0.305 0.000 0.989 32 G HN 0.707 nan 8.290 nan 0.000 0.520 33 I N 1.944 122.686 120.570 0.287 0.000 2.533 33 I HA 0.524 4.694 4.170 0.000 0.000 0.290 33 I C -0.868 175.290 176.117 0.068 0.000 1.056 33 I CA -0.814 60.528 61.300 0.071 0.000 1.057 33 I CB 2.327 40.230 38.000 -0.162 0.000 1.240 33 I HN 0.412 nan 8.210 nan 0.000 0.423 34 I N 5.497 126.075 120.570 0.013 0.000 2.608 34 I HA 0.599 4.769 4.170 0.000 0.000 0.295 34 I C -0.566 175.572 176.117 0.034 0.000 1.049 34 I CA -0.001 61.290 61.300 -0.015 0.000 1.063 34 I CB 2.281 40.185 38.000 -0.159 0.000 1.248 34 I HN 0.716 nan 8.210 nan 0.000 0.424 35 T N 4.579 119.188 114.554 0.091 0.000 2.901 35 T HA 0.611 4.961 4.350 0.000 0.000 0.293 35 T C -0.576 174.256 174.700 0.221 0.000 1.084 35 T CA -0.749 61.430 62.100 0.133 0.000 1.008 35 T CB 1.748 70.668 68.868 0.088 0.000 1.170 35 T HN 0.389 nan 8.240 nan 0.000 0.509 36 I N 2.870 123.549 120.570 0.181 0.000 2.339 36 I HA 0.323 4.494 4.170 0.000 0.000 0.290 36 I C -0.044 176.106 176.117 0.056 0.000 0.994 36 I CA -0.799 60.565 61.300 0.107 0.000 1.191 36 I CB 1.302 39.343 38.000 0.070 0.000 1.343 36 I HN 0.828 nan 8.210 nan 0.000 0.458 37 D N 5.526 125.943 120.400 0.028 0.000 2.478 37 D HA 0.225 4.865 4.640 0.000 0.000 0.269 37 D C 1.091 177.397 176.300 0.011 0.000 1.232 37 D CA -0.596 53.420 54.000 0.026 0.000 1.059 37 D CB 0.845 41.663 40.800 0.030 0.000 1.104 37 D HN 0.474 nan 8.370 nan 0.000 0.566 38 A N -0.312 122.516 122.820 0.014 0.000 2.125 38 A HA -0.170 4.150 4.320 0.000 0.000 0.219 38 A C 1.309 178.894 177.584 0.002 0.000 1.156 38 A CA 0.934 52.977 52.037 0.009 0.000 0.671 38 A CB -0.693 18.314 19.000 0.012 0.000 0.794 38 A HN 0.553 nan 8.150 nan 0.000 0.459 39 N N 0.572 119.270 118.700 -0.002 0.000 2.251 39 N HA 0.016 4.756 4.740 0.000 0.000 0.217 39 N C -0.525 174.970 175.510 -0.025 0.000 1.124 39 N CA 0.015 53.061 53.050 -0.007 0.000 0.843 39 N CB -0.008 38.478 38.487 -0.001 0.000 1.024 39 N HN 0.389 nan 8.380 nan 0.000 0.501 40 N N 0.332 119.008 118.700 -0.040 0.000 2.756 40 N HA -0.157 4.583 4.740 0.000 0.000 0.248 40 N C -1.026 174.394 175.510 -0.150 0.000 1.062 40 N CA 0.601 53.601 53.050 -0.083 0.000 0.696 40 N CB -1.682 36.773 38.487 -0.052 0.000 0.946 40 N HN 0.265 nan 8.380 nan 0.000 0.548 41 C N 0.236 119.450 119.300 -0.143 0.000 2.802 41 C HA 0.600 5.060 4.460 0.000 0.000 0.307 41 C C 0.429 175.334 174.990 -0.141 0.000 1.222 41 C CA -0.896 58.025 59.018 -0.161 0.000 1.580 41 C CB 1.103 28.823 27.740 -0.033 0.000 2.119 41 C HN 0.234 nan 8.230 nan 0.000 0.479 42 F N 2.478 122.391 119.950 -0.062 0.000 2.429 42 F HA 0.503 5.030 4.527 0.000 0.000 0.348 42 F C 1.010 176.738 175.800 -0.119 0.000 1.109 42 F CA 0.091 57.994 58.000 -0.162 0.000 1.232 42 F CB 0.546 39.276 39.000 -0.450 0.000 1.157 42 F HN 0.227 nan 8.300 nan 0.000 0.564 43 R N 3.288 123.874 120.500 0.143 0.000 2.476 43 R HA 0.618 4.958 4.340 0.000 0.000 0.305 43 R C -1.645 174.694 176.300 0.066 0.000 0.965 43 R CA -0.963 55.195 56.100 0.096 0.000 0.867 43 R CB 2.088 32.446 30.300 0.096 0.000 1.176 43 R HN 0.642 nan 8.270 nan 0.000 0.447 44 L N 2.028 123.295 121.223 0.073 0.000 2.422 44 L HA 0.684 5.024 4.340 0.000 0.000 0.264 44 L C -1.305 175.639 176.870 0.124 0.000 0.984 44 L CA -0.597 54.288 54.840 0.074 0.000 0.819 44 L CB 1.997 44.083 42.059 0.045 0.000 1.330 44 L HN 0.533 nan 8.230 nan 0.000 0.410 45 R N 3.253 123.847 120.500 0.156 0.000 2.510 45 R HA 0.675 5.015 4.340 0.000 0.000 0.294 45 R C -1.932 174.433 176.300 0.108 0.000 1.056 45 R CA -0.506 55.665 56.100 0.118 0.000 0.918 45 R CB 1.050 31.462 30.300 0.185 0.000 1.187 45 R HN 0.762 nan 8.270 nan 0.000 0.437 46 K N 2.438 122.807 120.400 -0.052 0.000 2.527 46 K HA 0.947 5.267 4.320 0.000 0.000 0.260 46 K C -1.643 174.857 176.600 -0.166 0.000 0.937 46 K CA -0.937 55.294 56.287 -0.093 0.000 0.826 46 K CB 2.270 34.748 32.500 -0.036 0.000 1.359 46 K HN 0.573 nan 8.250 nan 0.000 0.434 47 A N 1.750 124.454 122.820 -0.192 0.000 2.544 47 A HA 0.409 4.729 4.320 0.000 0.000 0.291 47 A C -1.709 175.794 177.584 -0.135 0.000 1.055 47 A CA -1.105 50.836 52.037 -0.160 0.000 0.651 47 A CB 0.786 19.659 19.000 -0.213 0.000 1.296 47 A HN 0.822 nan 8.150 nan 0.000 0.431 48 N N -0.310 118.334 118.700 -0.094 0.000 2.444 48 N HA 0.546 5.286 4.740 0.000 0.000 0.255 48 N C 0.318 175.774 175.510 -0.090 0.000 1.255 48 N CA 1.567 54.573 53.050 -0.074 0.000 0.933 48 N CB 0.823 39.279 38.487 -0.051 0.000 1.143 48 N HN 1.813 nan 8.380 nan 0.000 0.453 49 G N -0.677 108.078 108.800 -0.075 0.000 2.423 49 G HA2 -0.099 3.861 3.960 0.000 0.000 0.684 49 G HA3 -0.099 3.861 3.960 0.000 0.000 0.684 49 G C -1.044 173.816 174.900 -0.067 0.000 1.309 49 G CA -1.021 44.036 45.100 -0.070 0.000 0.950 49 G HN 0.412 nan 8.290 nan 0.000 0.587 50 L N 0.390 121.586 121.223 -0.046 0.000 2.464 50 L HA 0.210 4.550 4.340 0.000 0.000 0.264 50 L C 2.333 179.191 176.870 -0.021 0.000 1.199 50 L CA -0.608 54.212 54.840 -0.033 0.000 0.818 50 L CB 0.863 42.913 42.059 -0.015 0.000 1.102 50 L HN 0.506 nan 8.230 nan 0.000 0.473 51 V N 0.901 120.812 119.914 -0.004 0.000 2.282 51 V HA -0.324 3.796 4.120 0.000 0.000 0.249 51 V C 2.421 178.596 176.094 0.135 0.000 1.057 51 V CA 2.383 64.728 62.300 0.076 0.000 1.032 51 V CB -0.699 31.045 31.823 -0.131 0.000 0.645 51 V HN 1.072 nan 8.190 nan 0.000 0.447 52 S N -0.453 115.282 115.700 0.058 0.000 2.419 52 S HA -0.225 4.245 4.470 0.000 0.000 0.233 52 S C 1.515 176.228 174.600 0.189 0.000 1.016 52 S CA 1.665 59.983 58.200 0.196 0.000 0.974 52 S CB -0.394 62.890 63.200 0.141 0.000 0.786 52 S HN 0.652 nan 8.310 nan 0.000 0.492 53 D N 0.897 121.352 120.400 0.090 0.000 2.277 53 D HA 0.158 4.798 4.640 0.000 0.000 0.209 53 D C 2.075 178.366 176.300 -0.014 0.000 0.970 53 D CA 0.509 54.539 54.000 0.050 0.000 0.874 53 D CB -0.146 40.663 40.800 0.015 0.000 0.982 53 D HN 0.332 nan 8.370 nan 0.000 0.504 54 V N 0.644 120.474 119.914 -0.141 0.000 2.358 54 V HA -0.129 3.991 4.120 0.000 0.000 0.246 54 V C 0.559 176.313 176.094 -0.567 0.000 1.047 54 V CA 1.104 63.121 62.300 -0.471 0.000 1.035 54 V CB -0.359 30.966 31.823 -0.830 0.000 0.658 54 V HN 0.014 nan 8.190 nan 0.000 0.452 55 F N 0.548 120.597 119.950 0.165 0.000 2.361 55 F HA 0.510 5.037 4.527 0.000 0.000 0.364 55 F C 0.449 176.418 175.800 0.281 0.000 1.117 55 F CA -0.710 57.441 58.000 0.251 0.000 1.071 55 F CB 0.422 39.610 39.000 0.314 0.000 1.188 55 F HN 0.069 nan 8.300 nan 0.000 0.464 56 E N 0.972 121.475 120.200 0.506 0.000 2.259 56 E HA 0.592 4.942 4.350 0.000 0.000 0.257 56 E C 0.772 177.444 176.600 0.120 0.000 0.998 56 E CA -0.719 55.823 56.400 0.238 0.000 0.866 56 E CB 1.453 31.237 29.700 0.139 0.000 1.220 56 E HN 0.591 nan 8.360 nan 0.000 0.415 57 A N 1.523 124.357 122.820 0.025 0.000 1.903 57 A HA -0.287 4.033 4.320 0.000 0.000 0.219 57 A C 2.015 179.579 177.584 -0.034 0.000 1.191 57 A CA 2.273 54.305 52.037 -0.009 0.000 0.638 57 A CB -0.824 18.164 19.000 -0.020 0.000 0.823 57 A HN 0.711 nan 8.150 nan 0.000 0.451 58 R N -1.520 118.904 120.500 -0.127 0.000 2.152 58 R HA -0.156 4.185 4.340 0.000 0.000 0.232 58 R C 1.698 177.920 176.300 -0.130 0.000 1.117 58 R CA 1.622 57.623 56.100 -0.164 0.000 0.981 58 R CB -0.775 29.379 30.300 -0.243 0.000 0.870 58 R HN 0.671 nan 8.270 nan 0.000 0.451 59 H N 0.590 119.713 119.070 0.088 0.000 2.384 59 H HA 0.126 4.682 4.556 0.000 0.000 0.300 59 H C 2.289 177.694 175.328 0.129 0.000 1.057 59 H CA 1.171 57.297 56.048 0.130 0.000 1.370 59 H CB -0.056 29.823 29.762 0.195 0.000 1.417 59 H HN 0.119 nan 8.280 nan 0.000 0.527 60 M N 1.132 120.861 119.600 0.214 0.000 2.117 60 M HA -0.145 4.335 4.480 0.000 0.000 0.262 60 M C 2.136 178.475 176.300 0.065 0.000 1.065 60 M CA 1.241 56.604 55.300 0.105 0.000 1.114 60 M CB -0.954 31.657 32.600 0.020 0.000 1.361 60 M HN 0.307 nan 8.290 nan 0.000 0.408 61 Q N 0.074 119.903 119.800 0.048 0.000 2.096 61 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 61 Q C 2.068 178.098 176.000 0.050 0.000 0.982 61 Q CA 1.833 57.655 55.803 0.032 0.000 0.850 61 Q CB -0.323 28.424 28.738 0.015 0.000 0.901 61 Q HN 0.607 nan 8.270 nan 0.000 0.422 62 R N 0.452 120.997 120.500 0.076 0.000 2.193 62 R HA -0.026 4.314 4.340 0.000 0.000 0.213 62 R C 0.690 177.042 176.300 0.088 0.000 1.055 62 R CA 0.461 56.611 56.100 0.084 0.000 0.995 62 R CB -0.273 30.089 30.300 0.103 0.000 0.893 62 R HN 0.153 nan 8.270 nan 0.000 0.459 63 L N 3.411 124.691 121.223 0.095 0.000 2.416 63 L HA 0.129 4.469 4.340 0.000 0.000 0.243 63 L C -0.114 176.789 176.870 0.056 0.000 1.373 63 L CA 0.027 54.915 54.840 0.080 0.000 1.227 63 L CB -0.149 41.957 42.059 0.078 0.000 1.428 63 L HN 0.248 nan 8.230 nan 0.000 0.425 64 Q N 0.950 120.783 119.800 0.055 0.000 2.260 64 Q HA 0.716 5.056 4.340 0.000 0.000 0.242 64 Q C 0.449 176.478 176.000 0.047 0.000 0.932 64 Q CA -0.189 55.640 55.803 0.043 0.000 0.891 64 Q CB 1.986 30.747 28.738 0.039 0.000 1.222 64 Q HN 0.540 nan 8.270 nan 0.000 0.453 65 G N 1.060 109.885 108.800 0.041 0.000 2.334 65 G HA2 -0.122 3.838 3.960 0.000 0.000 0.566 65 G HA3 -0.122 3.838 3.960 0.000 0.000 0.566 65 G C -0.669 174.259 174.900 0.047 0.000 1.413 65 G CA -0.865 44.263 45.100 0.045 0.000 0.993 65 G HN 0.560 nan 8.290 nan 0.000 0.642 66 N N -0.474 118.256 118.700 0.051 0.000 2.236 66 N HA 0.210 4.950 4.740 0.000 0.000 0.196 66 N C 0.540 176.093 175.510 0.071 0.000 1.114 66 N CA 0.528 53.611 53.050 0.055 0.000 0.859 66 N CB 0.574 39.090 38.487 0.047 0.000 0.982 66 N HN 0.670 nan 8.380 nan 0.000 0.493 67 M N -0.203 119.444 119.600 0.080 0.000 2.433 67 M HA 0.590 5.070 4.480 0.000 0.000 0.290 67 M C -1.396 174.966 176.300 0.103 0.000 1.173 67 M CA -0.528 54.830 55.300 0.097 0.000 0.905 67 M CB 2.276 34.943 32.600 0.111 0.000 1.692 67 M HN 0.063 nan 8.290 nan 0.000 0.462 68 G N 3.793 112.649 108.800 0.094 0.000 2.523 68 G HA2 0.626 4.586 3.960 0.000 0.000 0.291 68 G HA3 0.626 4.586 3.960 0.000 0.000 0.291 68 G C -2.055 172.882 174.900 0.061 0.000 1.450 68 G CA -0.810 44.340 45.100 0.083 0.000 0.790 68 G HN 1.085 nan 8.290 nan 0.000 0.496 69 I N -1.951 118.646 120.570 0.045 0.000 2.934 69 I HA 1.002 5.173 4.170 0.000 0.000 0.306 69 I C 0.048 176.177 176.117 0.019 0.000 1.110 69 I CA -1.275 60.046 61.300 0.035 0.000 1.019 69 I CB 2.502 40.532 38.000 0.051 0.000 1.227 69 I HN 0.958 nan 8.210 nan 0.000 0.434 70 G N 1.752 110.567 108.800 0.026 0.000 2.660 70 G HA2 0.572 4.532 3.960 0.000 0.000 0.294 70 G HA3 0.572 4.532 3.960 0.000 0.000 0.294 70 G C -2.157 172.801 174.900 0.098 0.000 1.369 70 G CA -0.425 44.696 45.100 0.035 0.000 0.912 70 G HN 0.940 nan 8.290 nan 0.000 0.479 71 H N -0.579 118.490 119.070 -0.003 0.000 2.996 71 H HA 0.575 5.131 4.556 0.000 0.000 0.368 71 H C -1.458 173.873 175.328 0.006 0.000 1.185 71 H CA -0.489 55.553 56.048 -0.008 0.000 1.160 71 H CB 2.361 32.108 29.762 -0.026 0.000 1.820 71 H HN 0.734 nan 8.280 nan 0.000 0.547 72 V N 2.577 122.214 119.914 -0.462 0.000 2.588 72 V HA 0.612 4.732 4.120 0.000 0.000 0.304 72 V C -0.209 175.641 176.094 -0.407 0.000 1.042 72 V CA -1.069 61.078 62.300 -0.256 0.000 0.877 72 V CB 1.849 33.569 31.823 -0.172 0.000 0.996 72 V HN 0.736 nan 8.190 nan 0.000 0.425 73 R N 3.003 123.450 120.500 -0.089 0.000 2.460 73 R HA 0.540 4.880 4.340 0.000 0.000 0.303 73 R C -1.867 174.481 176.300 0.081 0.000 0.968 73 R CA -0.683 55.456 56.100 0.064 0.000 0.889 73 R CB 1.503 31.922 30.300 0.199 0.000 1.123 73 R HN 0.895 nan 8.270 nan 0.000 0.455 74 Y N 6.125 126.447 120.300 0.036 0.000 2.331 74 Y HA 0.425 4.975 4.550 0.000 0.000 0.338 74 Y C -2.218 173.719 175.900 0.062 0.000 0.976 74 Y CA -2.737 55.402 58.100 0.065 0.000 1.137 74 Y CB 1.490 40.032 38.460 0.137 0.000 1.172 74 Y HN 0.564 nan 8.280 nan 0.000 0.478 75 P HA 0.209 nan 4.420 nan 0.000 0.271 75 P C -0.885 176.538 177.300 0.205 0.000 1.220 75 P CA 0.045 63.216 63.100 0.118 0.000 0.768 75 P CB 0.863 32.566 31.700 0.005 0.000 0.848 76 T N -0.942 113.698 114.554 0.143 0.000 2.887 76 T HA 0.731 5.081 4.350 0.000 0.000 0.292 76 T C -0.317 174.407 174.700 0.039 0.000 1.087 76 T CA -1.199 60.959 62.100 0.097 0.000 1.009 76 T CB 1.057 69.974 68.868 0.081 0.000 1.203 76 T HN 0.303 nan 8.240 nan 0.000 0.518 77 A N -0.097 122.719 122.820 -0.006 0.000 2.545 77 A HA 0.518 4.838 4.320 0.000 0.000 0.253 77 A C 1.623 179.182 177.584 -0.042 0.000 1.074 77 A CA 0.551 52.554 52.037 -0.056 0.000 0.760 77 A CB -1.537 17.393 19.000 -0.118 0.000 1.005 77 A HN 2.410 nan 8.150 nan 0.000 0.506 78 G N 1.430 110.203 108.800 -0.045 0.000 2.194 78 G HA2 -0.157 3.803 3.960 0.000 0.000 0.236 78 G HA3 -0.157 3.803 3.960 0.000 0.000 0.236 78 G C 0.306 175.228 174.900 0.037 0.000 0.987 78 G CA 0.342 45.432 45.100 -0.017 0.000 0.635 78 G HN 1.563 nan 8.290 nan 0.000 0.520 79 S N 0.865 116.596 115.700 0.052 0.000 2.359 79 S HA 0.589 5.059 4.470 0.000 0.000 0.148 79 S C 0.209 174.848 174.600 0.064 0.000 1.610 79 S CA 0.162 58.413 58.200 0.086 0.000 1.274 79 S CB 0.825 64.101 63.200 0.126 0.000 1.380 79 S HN 1.320 nan 8.310 nan 0.000 0.380 80 S N 0.741 116.464 115.700 0.038 0.000 2.655 80 S HA 0.391 4.861 4.470 0.000 0.000 0.265 80 S C 1.389 176.001 174.600 0.019 0.000 1.240 80 S CA -0.513 57.699 58.200 0.020 0.000 0.986 80 S CB 0.754 63.956 63.200 0.003 0.000 0.985 80 S HN 0.308 nan 8.310 nan 0.000 0.562 81 S N 0.985 116.685 115.700 -0.001 0.000 2.400 81 S HA -0.094 4.376 4.470 0.000 0.000 0.232 81 S C 2.102 176.700 174.600 -0.002 0.000 1.025 81 S CA 1.019 59.214 58.200 -0.009 0.000 0.993 81 S CB -1.062 62.122 63.200 -0.027 0.000 0.808 81 S HN 0.918 nan 8.310 nan 0.000 0.478 82 A N 1.918 124.739 122.820 0.001 0.000 1.930 82 A HA 0.045 4.365 4.320 0.000 0.000 0.217 82 A C 1.623 179.218 177.584 0.019 0.000 1.175 82 A CA 1.078 53.118 52.037 0.005 0.000 0.627 82 A CB -0.731 18.270 19.000 0.002 0.000 0.815 82 A HN 0.594 nan 8.150 nan 0.000 0.443 83 S N -0.290 115.428 115.700 0.031 0.000 2.624 83 S HA 0.303 4.773 4.470 0.000 0.000 0.263 83 S C 0.029 174.673 174.600 0.074 0.000 1.287 83 S CA -0.486 57.748 58.200 0.056 0.000 0.990 83 S CB 0.564 63.806 63.200 0.070 0.000 0.950 83 S HN 0.494 nan 8.310 nan 0.000 0.561 84 E N 0.307 120.579 120.200 0.120 0.000 2.414 84 E HA 0.394 4.744 4.350 0.000 0.000 0.263 84 E C 0.292 176.951 176.600 0.098 0.000 1.000 84 E CA -0.408 56.076 56.400 0.140 0.000 0.914 84 E CB 0.448 30.299 29.700 0.252 0.000 0.948 84 E HN 0.763 nan 8.360 nan 0.000 0.444 85 A N 4.157 126.947 122.820 -0.050 0.000 2.249 85 A HA 0.256 4.576 4.320 0.000 0.000 0.281 85 A C -0.193 177.049 177.584 -0.570 0.000 1.127 85 A CA -0.347 51.584 52.037 -0.176 0.000 0.833 85 A CB 0.634 19.579 19.000 -0.091 0.000 1.140 85 A HN 0.771 nan 8.150 nan 0.000 0.502 86 Q N 0.059 119.504 119.800 -0.592 0.000 2.204 86 Q HA 0.444 4.784 4.340 0.000 0.000 0.254 86 Q C -2.390 173.389 176.000 -0.368 0.000 0.981 86 Q CA -1.899 53.401 55.803 -0.840 0.000 0.897 86 Q CB 1.191 29.288 28.738 -1.068 0.000 1.273 86 Q HN 0.553 nan 8.270 nan 0.000 0.464 87 P HA 0.206 nan 4.420 nan 0.000 0.276 87 P C -1.151 175.936 177.300 -0.355 0.000 1.261 87 P CA -0.171 62.729 63.100 -0.333 0.000 0.800 87 P CB 0.609 32.234 31.700 -0.124 0.000 1.066 88 F N 0.156 120.109 119.950 0.005 0.000 2.470 88 F HA 0.507 5.034 4.527 0.000 0.000 0.329 88 F C 0.426 176.287 175.800 0.100 0.000 1.072 88 F CA -0.078 57.942 58.000 0.033 0.000 0.989 88 F CB 1.024 40.020 39.000 -0.008 0.000 1.193 88 F HN 0.323 nan 8.300 nan 0.000 0.481 89 Y N -0.151 120.230 120.300 0.134 0.000 2.571 89 Y HA 0.774 5.324 4.550 0.000 0.000 0.341 89 Y C -1.744 174.214 175.900 0.096 0.000 1.076 89 Y CA -2.018 56.098 58.100 0.027 0.000 1.029 89 Y CB 1.142 39.475 38.460 -0.211 0.000 1.308 89 Y HN 0.524 nan 8.280 nan 0.000 0.461 90 V N 0.110 120.160 119.914 0.226 0.000 2.709 90 V HA 0.519 4.639 4.120 0.000 0.000 0.308 90 V C -0.666 175.586 176.094 0.263 0.000 1.062 90 V CA -0.909 61.466 62.300 0.125 0.000 0.901 90 V CB 2.019 33.883 31.823 0.069 0.000 1.003 90 V HN 0.923 nan 8.190 nan 0.000 0.425 91 N N 2.485 121.305 118.700 0.200 0.000 2.434 91 N HA 0.101 4.841 4.740 0.000 0.000 0.196 91 N C 0.341 175.914 175.510 0.104 0.000 1.183 91 N CA 0.866 54.044 53.050 0.213 0.000 0.849 91 N CB 0.258 38.850 38.487 0.175 0.000 0.992 91 N HN 1.068 nan 8.380 nan 0.000 0.460 92 S N -0.769 114.966 115.700 0.058 0.000 2.548 92 S HA 0.438 4.908 4.470 0.000 0.000 0.278 92 S C -3.303 171.253 174.600 -0.072 0.000 1.150 92 S CA -1.172 57.002 58.200 -0.044 0.000 0.907 92 S CB 3.193 66.350 63.200 -0.071 0.000 1.108 92 S HN -0.161 nan 8.310 nan 0.000 0.459 93 P HA 0.328 nan 4.420 nan 0.000 0.277 93 P C -0.267 176.854 177.300 -0.299 0.000 1.240 93 P CA 0.315 63.160 63.100 -0.425 0.000 0.798 93 P CB 0.024 31.316 31.700 -0.680 0.000 0.979 94 Y N 0.101 120.434 120.300 0.054 0.000 2.884 94 Y HA -0.263 4.287 4.550 0.000 0.000 0.483 94 Y C 1.140 177.104 175.900 0.105 0.000 1.209 94 Y CA 1.912 60.071 58.100 0.097 0.000 2.681 94 Y CB -2.588 35.944 38.460 0.119 0.000 0.894 94 Y HN 0.928 nan 8.280 nan 0.000 0.529 95 G N 0.350 109.327 108.800 0.294 0.000 3.306 95 G HA2 0.306 4.266 3.960 0.000 0.000 0.672 95 G HA3 0.306 4.266 3.960 0.000 0.000 0.672 95 G C -1.021 174.203 174.900 0.539 0.000 1.212 95 G CA -0.488 44.843 45.100 0.386 0.000 1.150 95 G HN 0.571 nan 8.290 nan 0.000 0.509 96 I N 1.396 122.291 120.570 0.543 0.000 2.533 96 I HA 0.707 4.877 4.170 0.000 0.000 0.290 96 I C 0.120 176.425 176.117 0.312 0.000 1.056 96 I CA -0.916 60.640 61.300 0.427 0.000 1.057 96 I CB 2.681 40.817 38.000 0.227 0.000 1.240 96 I HN 0.468 nan 8.210 nan 0.000 0.423 97 T N 6.549 121.201 114.554 0.162 0.000 2.876 97 T HA 0.797 5.147 4.350 0.000 0.000 0.289 97 T C -1.354 173.414 174.700 0.114 0.000 1.014 97 T CA -0.438 61.653 62.100 -0.016 0.000 0.986 97 T CB 1.555 70.121 68.868 -0.503 0.000 1.021 97 T HN 0.542 nan 8.240 nan 0.000 0.458 98 L N 3.292 124.592 121.223 0.128 0.000 2.424 98 L HA 0.947 5.287 4.340 0.000 0.000 0.258 98 L C -1.535 175.381 176.870 0.078 0.000 0.995 98 L CA -0.636 54.286 54.840 0.137 0.000 0.821 98 L CB 1.942 44.119 42.059 0.196 0.000 1.383 98 L HN 0.827 nan 8.230 nan 0.000 0.410 99 A N 2.154 125.013 122.820 0.065 0.000 2.449 99 A HA 0.734 5.054 4.320 0.000 0.000 0.302 99 A C -1.796 175.880 177.584 0.155 0.000 1.048 99 A CA -0.399 51.667 52.037 0.048 0.000 0.708 99 A CB 1.255 20.301 19.000 0.076 0.000 1.274 99 A HN 0.923 nan 8.150 nan 0.000 0.410 100 H N 2.138 121.238 119.070 0.051 0.000 2.996 100 H HA 0.469 5.025 4.556 0.000 0.000 0.368 100 H C -1.966 173.474 175.328 0.187 0.000 1.185 100 H CA -0.494 55.602 56.048 0.079 0.000 1.160 100 H CB 1.778 31.557 29.762 0.029 0.000 1.820 100 H HN 0.777 nan 8.280 nan 0.000 0.547 101 N N 2.632 121.188 118.700 -0.239 0.000 2.483 101 N HA 0.498 5.238 4.740 0.000 0.000 0.267 101 N C -0.633 174.662 175.510 -0.358 0.000 0.998 101 N CA 0.270 53.164 53.050 -0.260 0.000 0.918 101 N CB 1.583 40.024 38.487 -0.077 0.000 1.215 101 N HN 1.006 nan 8.380 nan 0.000 0.500 102 G N 2.125 110.657 108.800 -0.446 0.000 2.356 102 G HA2 0.047 4.007 3.960 0.000 0.000 0.266 102 G HA3 0.047 4.007 3.960 0.000 0.000 0.266 102 G C -2.009 172.942 174.900 0.084 0.000 1.312 102 G CA -0.843 44.206 45.100 -0.085 0.000 0.922 102 G HN 0.690 nan 8.290 nan 0.000 0.480 103 N N -1.072 117.845 118.700 0.363 0.000 2.516 103 N HA 0.522 5.263 4.740 0.000 0.000 0.268 103 N C -1.233 174.509 175.510 0.388 0.000 1.096 103 N CA -0.630 52.641 53.050 0.367 0.000 0.954 103 N CB 1.573 40.215 38.487 0.258 0.000 1.676 103 N HN 0.584 nan 8.380 nan 0.000 0.490 104 L N 2.696 124.098 121.223 0.298 0.000 2.257 104 L HA 0.350 4.690 4.340 0.000 0.000 0.290 104 L C 1.321 178.305 176.870 0.189 0.000 1.044 104 L CA -0.485 54.479 54.840 0.207 0.000 0.810 104 L CB 1.224 43.336 42.059 0.088 0.000 1.193 104 L HN 0.816 nan 8.230 nan 0.000 0.425 105 T N -2.198 112.425 114.554 0.116 0.000 3.113 105 T HA -0.071 4.280 4.350 0.000 0.000 0.263 105 T C 0.973 175.504 174.700 -0.281 0.000 1.143 105 T CA 0.522 62.525 62.100 -0.163 0.000 1.090 105 T CB -0.369 68.349 68.868 -0.250 0.000 0.922 105 T HN 0.676 nan 8.240 nan 0.000 0.521 106 N N 0.344 119.004 118.700 -0.068 0.000 2.416 106 N HA 0.427 5.167 4.740 0.000 0.000 0.267 106 N C 1.246 176.768 175.510 0.021 0.000 1.294 106 N CA 0.113 53.130 53.050 -0.054 0.000 0.891 106 N CB 0.117 38.571 38.487 -0.055 0.000 1.238 106 N HN 0.296 nan 8.380 nan 0.000 0.508 107 A N 0.648 123.526 122.820 0.097 0.000 1.908 107 A HA -0.259 4.061 4.320 0.000 0.000 0.218 107 A C 2.106 179.742 177.584 0.086 0.000 1.181 107 A CA 1.845 53.950 52.037 0.112 0.000 0.627 107 A CB -1.107 18.014 19.000 0.201 0.000 0.818 107 A HN 0.585 nan 8.150 nan 0.000 0.445 108 H N -0.481 118.582 119.070 -0.013 0.000 2.267 108 H HA -0.165 4.391 4.556 0.000 0.000 0.297 108 H C 2.103 177.372 175.328 -0.098 0.000 1.080 108 H CA 2.249 58.220 56.048 -0.128 0.000 1.278 108 H CB -0.111 29.376 29.762 -0.459 0.000 1.365 108 H HN 0.447 nan 8.280 nan 0.000 0.489 109 E N 0.460 120.638 120.200 -0.037 0.000 2.085 109 E HA -0.134 4.216 4.350 0.000 0.000 0.194 109 E C 2.391 178.944 176.600 -0.078 0.000 0.994 109 E CA 1.454 57.817 56.400 -0.061 0.000 0.801 109 E CB -0.510 29.183 29.700 -0.012 0.000 0.743 109 E HN 0.624 nan 8.360 nan 0.000 0.453 110 L N -0.164 121.027 121.223 -0.053 0.000 2.046 110 L HA -0.138 4.202 4.340 0.000 0.000 0.208 110 L C 2.838 179.674 176.870 -0.056 0.000 1.077 110 L CA 1.567 56.380 54.840 -0.044 0.000 0.747 110 L CB -0.420 41.620 42.059 -0.033 0.000 0.896 110 L HN 0.116 nan 8.230 nan 0.000 0.432 111 R N 0.568 121.016 120.500 -0.087 0.000 2.081 111 R HA -0.222 4.118 4.340 0.000 0.000 0.235 111 R C 2.380 178.640 176.300 -0.068 0.000 1.131 111 R CA 1.752 57.797 56.100 -0.091 0.000 0.960 111 R CB -0.058 30.164 30.300 -0.131 0.000 0.856 111 R HN 0.210 nan 8.270 nan 0.000 0.436 112 K N 0.517 120.837 120.400 -0.133 0.000 2.002 112 K HA -0.141 4.179 4.320 0.000 0.000 0.209 112 K C 1.850 178.474 176.600 0.040 0.000 1.048 112 K CA 1.524 57.773 56.287 -0.062 0.000 0.930 112 K CB 0.088 32.507 32.500 -0.135 0.000 0.714 112 K HN 0.018 nan 8.250 nan 0.000 0.438 113 K N 0.663 121.061 120.400 -0.003 0.000 2.097 113 K HA -0.140 4.180 4.320 0.000 0.000 0.206 113 K C 2.213 178.816 176.600 0.005 0.000 1.049 113 K CA 1.201 57.489 56.287 0.001 0.000 0.933 113 K CB -0.229 32.260 32.500 -0.017 0.000 0.717 113 K HN 0.252 nan 8.250 nan 0.000 0.442 114 L N -0.047 121.182 121.223 0.011 0.000 2.046 114 L HA -0.188 4.152 4.340 0.000 0.000 0.208 114 L C 2.450 179.339 176.870 0.031 0.000 1.077 114 L CA 1.094 55.938 54.840 0.008 0.000 0.747 114 L CB -0.383 41.678 42.059 0.004 0.000 0.896 114 L HN 0.068 nan 8.230 nan 0.000 0.432 115 F N 0.928 120.847 119.950 -0.051 0.000 2.060 115 F HA -0.190 4.337 4.527 0.000 0.000 0.295 115 F C 2.452 178.232 175.800 -0.033 0.000 1.120 115 F CA 1.664 59.644 58.000 -0.034 0.000 1.205 115 F CB -0.194 38.785 39.000 -0.035 0.000 0.986 115 F HN 0.017 nan 8.300 nan 0.000 0.470 116 E N 0.042 120.212 120.200 -0.050 0.000 2.031 116 E HA -0.231 4.119 4.350 0.000 0.000 0.193 116 E C 2.075 178.580 176.600 -0.159 0.000 0.994 116 E CA 1.904 58.227 56.400 -0.127 0.000 0.800 116 E CB -0.323 29.395 29.700 0.030 0.000 0.752 116 E HN 0.611 nan 8.360 nan 0.000 0.447 117 E N 0.042 120.182 120.200 -0.100 0.000 2.122 117 E HA -0.035 4.316 4.350 0.000 0.000 0.190 117 E C 1.558 178.092 176.600 -0.111 0.000 0.977 117 E CA 0.584 56.928 56.400 -0.093 0.000 0.820 117 E CB 0.306 29.968 29.700 -0.062 0.000 0.770 117 E HN -0.008 nan 8.360 nan 0.000 0.462 118 K N -0.056 120.275 120.400 -0.115 0.000 2.402 118 K HA 0.237 4.557 4.320 0.000 0.000 0.203 118 K C 0.071 176.594 176.600 -0.128 0.000 1.077 118 K CA -0.076 56.146 56.287 -0.107 0.000 1.051 118 K CB 0.987 33.441 32.500 -0.076 0.000 0.907 118 K HN -0.033 nan 8.250 nan 0.000 0.554 119 R N 1.074 121.453 120.500 -0.201 0.000 3.770 119 R HA -0.162 4.178 4.340 0.000 0.000 0.305 119 R C -0.533 175.720 176.300 -0.079 0.000 1.184 119 R CA 0.497 56.457 56.100 -0.233 0.000 0.823 119 R CB -1.680 28.502 30.300 -0.196 0.000 1.285 119 R HN 0.127 nan 8.270 nan 0.000 0.499 120 R N 0.886 121.371 120.500 -0.024 0.000 2.202 120 R HA 0.152 4.493 4.340 0.000 0.000 0.334 120 R C -0.032 176.337 176.300 0.116 0.000 1.036 120 R CA -0.647 55.472 56.100 0.031 0.000 0.878 120 R CB 0.670 30.966 30.300 -0.006 0.000 1.067 120 R HN 0.125 nan 8.270 nan 0.000 0.457 121 H N 3.265 122.357 119.070 0.037 0.000 2.548 121 H HA 0.200 4.756 4.556 0.000 0.000 0.331 121 H C -0.472 174.850 175.328 -0.011 0.000 1.093 121 H CA -0.316 55.764 56.048 0.053 0.000 1.367 121 H CB 0.675 30.463 29.762 0.042 0.000 1.455 121 H HN 0.332 nan 8.280 nan 0.000 0.519 122 I N 5.396 125.603 120.570 -0.605 0.000 2.330 122 I HA 0.039 4.209 4.170 0.000 0.000 0.289 122 I C 0.800 176.428 176.117 -0.816 0.000 1.001 122 I CA -0.277 60.700 61.300 -0.538 0.000 1.193 122 I CB 0.867 38.693 38.000 -0.290 0.000 1.345 122 I HN 0.786 nan 8.210 nan 0.000 0.461 123 N N 3.462 121.790 118.700 -0.620 0.000 2.446 123 N HA -0.050 4.690 4.740 0.000 0.000 0.179 123 N C 0.660 176.065 175.510 -0.175 0.000 1.054 123 N CA 0.529 53.375 53.050 -0.339 0.000 0.905 123 N CB 0.502 38.931 38.487 -0.098 0.000 0.973 123 N HN 0.781 nan 8.380 nan 0.000 0.448 124 T N -4.749 109.674 114.554 -0.218 0.000 2.807 124 T HA 0.303 4.653 4.350 0.000 0.000 0.277 124 T C 0.860 175.496 174.700 -0.106 0.000 1.006 124 T CA -0.314 61.713 62.100 -0.122 0.000 1.006 124 T CB 1.008 69.813 68.868 -0.105 0.000 1.274 124 T HN 0.048 nan 8.240 nan 0.000 0.569 125 T N -1.767 112.763 114.554 -0.040 0.000 3.163 125 T HA 0.267 4.618 4.350 0.000 0.000 0.252 125 T C 0.804 175.511 174.700 0.012 0.000 1.056 125 T CA -0.237 61.856 62.100 -0.013 0.000 0.947 125 T CB -0.305 68.560 68.868 -0.006 0.000 1.016 125 T HN 0.600 nan 8.240 nan 0.000 0.554 126 S N 2.894 118.592 115.700 -0.004 0.000 2.481 126 S HA 0.111 4.581 4.470 0.000 0.000 0.276 126 S C 1.404 176.022 174.600 0.030 0.000 1.247 126 S CA -0.595 57.645 58.200 0.067 0.000 1.053 126 S CB 0.306 63.622 63.200 0.194 0.000 0.925 126 S HN 0.529 nan 8.310 nan 0.000 0.491 127 D N 3.927 124.393 120.400 0.109 0.000 2.309 127 D HA -0.112 4.528 4.640 0.000 0.000 0.212 127 D C 1.576 177.894 176.300 0.030 0.000 0.968 127 D CA 0.954 55.006 54.000 0.086 0.000 0.882 127 D CB -0.341 40.555 40.800 0.160 0.000 0.918 127 D HN 0.476 nan 8.370 nan 0.000 0.503 128 S N 0.134 115.920 115.700 0.143 0.000 2.387 128 S HA -0.189 4.281 4.470 0.000 0.000 0.226 128 S C 1.861 176.500 174.600 0.065 0.000 1.026 128 S CA 1.127 59.417 58.200 0.151 0.000 0.972 128 S CB -0.292 63.184 63.200 0.460 0.000 0.814 128 S HN 0.386 nan 8.310 nan 0.000 0.477 129 E N 0.161 120.269 120.200 -0.154 0.000 2.150 129 E HA -0.084 4.266 4.350 0.000 0.000 0.193 129 E C 1.904 178.386 176.600 -0.197 0.000 0.985 129 E CA 1.162 57.308 56.400 -0.423 0.000 0.814 129 E CB -0.158 29.012 29.700 -0.884 0.000 0.752 129 E HN 0.640 nan 8.360 nan 0.000 0.466 130 I N 0.843 121.326 120.570 -0.145 0.000 2.252 130 I HA -0.248 3.922 4.170 0.000 0.000 0.245 130 I C 2.542 178.620 176.117 -0.065 0.000 1.102 130 I CA 0.598 61.842 61.300 -0.094 0.000 1.385 130 I CB -0.147 37.812 38.000 -0.068 0.000 1.064 130 I HN 0.223 nan 8.210 nan 0.000 0.414 131 L N 0.409 121.576 121.223 -0.093 0.000 2.042 131 L HA -0.241 4.099 4.340 0.000 0.000 0.210 131 L C 2.535 179.425 176.870 0.033 0.000 1.076 131 L CA 1.338 56.115 54.840 -0.105 0.000 0.749 131 L CB -0.179 41.712 42.059 -0.281 0.000 0.893 131 L HN 0.272 nan 8.230 nan 0.000 0.432 132 L N -0.262 120.998 121.223 0.062 0.000 2.083 132 L HA -0.223 4.117 4.340 0.000 0.000 0.209 132 L C 2.119 179.074 176.870 0.142 0.000 1.083 132 L CA 1.824 56.767 54.840 0.171 0.000 0.752 132 L CB -0.895 41.258 42.059 0.157 0.000 0.899 132 L HN 0.277 nan 8.230 nan 0.000 0.433 133 N N -0.089 118.639 118.700 0.047 0.000 2.188 133 N HA -0.123 4.617 4.740 0.000 0.000 0.184 133 N C 1.815 177.344 175.510 0.033 0.000 1.018 133 N CA 1.604 54.664 53.050 0.018 0.000 0.858 133 N CB -0.022 38.447 38.487 -0.030 0.000 0.989 133 N HN 0.350 nan 8.380 nan 0.000 0.426 134 I N 0.843 121.440 120.570 0.045 0.000 2.179 134 I HA -0.237 3.933 4.170 0.000 0.000 0.242 134 I C 2.223 178.417 176.117 0.128 0.000 1.088 134 I CA 0.880 62.211 61.300 0.051 0.000 1.357 134 I CB -1.193 36.824 38.000 0.027 0.000 1.051 134 I HN 0.017 nan 8.210 nan 0.000 0.409 135 F N 2.254 122.200 119.950 -0.006 0.000 2.102 135 F HA -0.180 4.348 4.527 0.000 0.000 0.298 135 F C 2.538 178.356 175.800 0.029 0.000 1.105 135 F CA 1.406 59.415 58.000 0.015 0.000 1.239 135 F CB -0.727 38.318 39.000 0.073 0.000 0.991 135 F HN 0.047 nan 8.300 nan 0.000 0.474 136 A N -0.153 122.636 122.820 -0.051 0.000 1.902 136 A HA -0.204 4.116 4.320 0.000 0.000 0.217 136 A C 2.419 179.935 177.584 -0.112 0.000 1.181 136 A CA 2.471 54.421 52.037 -0.146 0.000 0.623 136 A CB -1.397 17.578 19.000 -0.041 0.000 0.818 136 A HN 0.535 nan 8.150 nan 0.000 0.443 137 S N -0.423 115.241 115.700 -0.060 0.000 2.368 137 S HA -0.147 4.323 4.470 0.000 0.000 0.224 137 S C 1.636 176.186 174.600 -0.084 0.000 1.029 137 S CA 1.274 59.432 58.200 -0.071 0.000 0.988 137 S CB -0.396 62.773 63.200 -0.052 0.000 0.838 137 S HN 0.505 nan 8.310 nan 0.000 0.462 138 E N 1.708 121.879 120.200 -0.048 0.000 2.153 138 E HA 0.019 4.369 4.350 0.000 0.000 0.194 138 E C 2.001 178.567 176.600 -0.058 0.000 0.988 138 E CA 0.786 57.161 56.400 -0.042 0.000 0.811 138 E CB -0.505 29.229 29.700 0.056 0.000 0.746 138 E HN 0.585 nan 8.360 nan 0.000 0.466 139 L N 0.524 121.702 121.223 -0.075 0.000 2.478 139 L HA -0.100 4.240 4.340 0.000 0.000 0.223 139 L C 1.608 178.521 176.870 0.073 0.000 1.140 139 L CA 0.528 55.389 54.840 0.034 0.000 0.842 139 L CB -0.048 41.918 42.059 -0.155 0.000 0.953 139 L HN -0.059 nan 8.230 nan 0.000 0.452 140 D N -0.380 119.968 120.400 -0.088 0.000 2.328 140 D HA -0.067 4.573 4.640 0.000 0.000 0.226 140 D C 1.333 177.512 176.300 -0.201 0.000 1.066 140 D CA 0.310 54.231 54.000 -0.131 0.000 0.861 140 D CB 0.131 40.842 40.800 -0.148 0.000 0.912 140 D HN 0.106 nan 8.370 nan 0.000 0.521 141 N N -0.327 118.140 118.700 -0.387 0.000 2.398 141 N HA 0.032 4.772 4.740 0.000 0.000 0.188 141 N C -0.683 174.375 175.510 -0.754 0.000 1.122 141 N CA 0.212 52.912 53.050 -0.583 0.000 0.866 141 N CB 0.171 38.255 38.487 -0.672 0.000 0.970 141 N HN 0.163 nan 8.380 nan 0.000 0.462 142 F N -0.055 119.857 119.950 -0.064 0.000 2.458 142 F HA 0.488 5.015 4.527 0.000 0.000 0.330 142 F C 1.214 176.942 175.800 -0.121 0.000 1.082 142 F CA -0.909 57.019 58.000 -0.122 0.000 0.995 142 F CB 1.292 40.136 39.000 -0.259 0.000 1.170 142 F HN -0.336 nan 8.300 nan 0.000 0.478 143 R N 2.092 122.632 120.500 0.068 0.000 2.776 143 R HA 0.176 4.516 4.340 0.000 0.000 0.391 143 R C -0.958 175.426 176.300 0.139 0.000 1.116 143 R CA -0.227 55.920 56.100 0.079 0.000 1.056 143 R CB -0.410 29.937 30.300 0.080 0.000 1.369 143 R HN 0.863 nan 8.270 nan 0.000 0.590 144 H N -2.601 116.591 119.070 0.203 0.000 3.046 144 H HA 0.377 4.933 4.556 0.000 0.000 0.361 144 H C -1.740 173.720 175.328 0.220 0.000 1.235 144 H CA -0.785 55.362 56.048 0.166 0.000 1.146 144 H CB 1.754 31.574 29.762 0.096 0.000 1.859 144 H HN 0.023 nan 8.280 nan 0.000 0.548 145 Y N 2.487 122.895 120.300 0.180 0.000 2.492 145 Y HA 0.419 4.969 4.550 0.000 0.000 0.346 145 Y C -2.422 173.549 175.900 0.119 0.000 0.997 145 Y CA -1.503 56.678 58.100 0.134 0.000 1.025 145 Y CB 1.900 40.439 38.460 0.132 0.000 1.263 145 Y HN 0.683 nan 8.280 nan 0.000 0.454 146 P HA 0.318 nan 4.420 nan 0.000 0.279 146 P C -1.012 176.111 177.300 -0.295 0.000 1.282 146 P CA -0.505 61.997 63.100 -0.997 0.000 0.788 146 P CB 1.363 32.523 31.700 -0.899 0.000 1.139 147 L N 0.387 121.486 121.223 -0.208 0.000 2.417 147 L HA 0.181 4.521 4.340 0.000 0.000 0.268 147 L C 1.141 177.895 176.870 -0.193 0.000 1.158 147 L CA -0.386 54.272 54.840 -0.302 0.000 0.819 147 L CB 0.185 41.866 42.059 -0.631 0.000 1.112 147 L HN 0.345 nan 8.230 nan 0.000 0.458 148 E N 0.782 120.855 120.200 -0.211 0.000 2.280 148 E HA 0.214 4.564 4.350 0.000 0.000 0.264 148 E C 0.671 177.062 176.600 -0.348 0.000 1.064 148 E CA -0.120 56.150 56.400 -0.217 0.000 0.900 148 E CB 1.443 31.029 29.700 -0.189 0.000 1.123 148 E HN 0.669 nan 8.360 nan 0.000 0.418 149 A N 1.730 124.343 122.820 -0.345 0.000 1.892 149 A HA -0.282 4.038 4.320 0.000 0.000 0.218 149 A C 1.780 179.070 177.584 -0.489 0.000 1.188 149 A CA 2.509 54.237 52.037 -0.513 0.000 0.631 149 A CB -0.584 18.094 19.000 -0.537 0.000 0.822 149 A HN 0.717 nan 8.150 nan 0.000 0.447 150 D N -0.660 119.616 120.400 -0.208 0.000 2.182 150 D HA -0.151 4.489 4.640 0.000 0.000 0.201 150 D C 1.660 177.866 176.300 -0.156 0.000 0.986 150 D CA 1.798 55.774 54.000 -0.040 0.000 0.847 150 D CB -0.386 40.392 40.800 -0.038 0.000 0.942 150 D HN 0.699 nan 8.370 nan 0.000 0.467 151 N N -0.758 117.710 118.700 -0.386 0.000 2.135 151 N HA -0.046 4.694 4.740 0.000 0.000 0.186 151 N C 1.898 177.102 175.510 -0.510 0.000 1.027 151 N CA 0.924 53.542 53.050 -0.720 0.000 0.849 151 N CB 0.020 37.765 38.487 -1.236 0.000 1.002 151 N HN 0.193 nan 8.380 nan 0.000 0.425 152 I N 0.348 120.581 120.570 -0.563 0.000 2.226 152 I HA -0.255 3.915 4.170 0.000 0.000 0.245 152 I C 1.428 177.394 176.117 -0.252 0.000 1.100 152 I CA 1.155 62.163 61.300 -0.486 0.000 1.374 152 I CB -0.235 37.246 38.000 -0.865 0.000 1.057 152 I HN 0.077 nan 8.210 nan 0.000 0.413 153 F N 0.919 120.776 119.950 -0.155 0.000 2.186 153 F HA -0.150 4.377 4.527 0.000 0.000 0.299 153 F C 2.593 178.368 175.800 -0.042 0.000 1.090 153 F CA 1.021 58.971 58.000 -0.084 0.000 1.307 153 F CB -1.229 37.733 39.000 -0.062 0.000 1.019 153 F HN 0.001 nan 8.300 nan 0.000 0.489 154 A N 0.082 122.991 122.820 0.149 0.000 1.902 154 A HA -0.065 4.255 4.320 0.000 0.000 0.217 154 A C 2.467 180.151 177.584 0.168 0.000 1.181 154 A CA 1.821 53.950 52.037 0.154 0.000 0.623 154 A CB -1.270 17.847 19.000 0.195 0.000 0.818 154 A HN 0.293 nan 8.150 nan 0.000 0.443 155 A N -0.162 122.780 122.820 0.203 0.000 1.933 155 A HA -0.068 4.252 4.320 0.000 0.000 0.218 155 A C 2.102 179.799 177.584 0.188 0.000 1.175 155 A CA 1.520 53.695 52.037 0.229 0.000 0.628 155 A CB -0.567 18.586 19.000 0.255 0.000 0.814 155 A HN 0.505 nan 8.150 nan 0.000 0.444 156 I N -0.440 120.186 120.570 0.093 0.000 2.315 156 I HA -0.223 3.947 4.170 0.000 0.000 0.248 156 I C 2.911 178.939 176.117 -0.148 0.000 1.117 156 I CA 0.881 62.045 61.300 -0.226 0.000 1.404 156 I CB -0.267 37.472 38.000 -0.436 0.000 1.071 156 I HN 0.355 nan 8.210 nan 0.000 0.419 157 A N 0.800 123.608 122.820 -0.021 0.000 1.898 157 A HA -0.125 4.195 4.320 0.000 0.000 0.216 157 A C 2.551 180.141 177.584 0.010 0.000 1.181 157 A CA 1.712 53.748 52.037 -0.000 0.000 0.620 157 A CB -0.741 18.277 19.000 0.031 0.000 0.819 157 A HN 0.408 nan 8.150 nan 0.000 0.442 158 A N -0.892 121.947 122.820 0.031 0.000 1.902 158 A HA -0.090 4.230 4.320 0.000 0.000 0.217 158 A C 2.308 179.901 177.584 0.016 0.000 1.181 158 A CA 2.316 54.370 52.037 0.028 0.000 0.623 158 A CB -1.314 17.710 19.000 0.040 0.000 0.818 158 A HN 0.424 nan 8.150 nan 0.000 0.443 159 T N 0.518 115.078 114.554 0.011 0.000 2.684 159 T HA -0.177 4.173 4.350 0.000 0.000 0.267 159 T C 1.728 176.416 174.700 -0.021 0.000 1.036 159 T CA 1.839 63.932 62.100 -0.011 0.000 1.148 159 T CB -0.594 68.244 68.868 -0.050 0.000 0.863 159 T HN 0.702 nan 8.240 nan 0.000 0.436 160 N N 0.329 119.024 118.700 -0.008 0.000 2.205 160 N HA -0.055 4.685 4.740 0.000 0.000 0.186 160 N C 2.101 177.650 175.510 0.065 0.000 1.015 160 N CA 0.703 53.802 53.050 0.080 0.000 0.862 160 N CB -0.054 38.492 38.487 0.098 0.000 0.986 160 N HN 0.302 nan 8.380 nan 0.000 0.429 161 R N 0.312 120.832 120.500 0.032 0.000 2.148 161 R HA 0.030 4.370 4.340 0.000 0.000 0.223 161 R C 1.811 178.123 176.300 0.020 0.000 1.088 161 R CA 0.685 56.800 56.100 0.026 0.000 0.985 161 R CB -0.033 30.277 30.300 0.016 0.000 0.880 161 R HN 0.266 nan 8.270 nan 0.000 0.451 162 L N 0.693 121.922 121.223 0.012 0.000 2.102 162 L HA 0.121 4.461 4.340 0.000 0.000 0.202 162 L C 1.368 178.238 176.870 -0.001 0.000 1.076 162 L CA 0.286 55.127 54.840 0.001 0.000 0.761 162 L CB -0.130 41.925 42.059 -0.007 0.000 0.921 162 L HN 0.162 nan 8.230 nan 0.000 0.444 163 I N -1.592 118.974 120.570 -0.006 0.000 2.677 163 I HA 0.379 4.549 4.170 0.000 0.000 0.305 163 I C -0.365 175.790 176.117 0.062 0.000 0.988 163 I CA -0.517 60.774 61.300 -0.015 0.000 1.260 163 I CB 1.163 39.088 38.000 -0.124 0.000 1.410 163 I HN 0.056 nan 8.210 nan 0.000 0.523 164 R N 3.139 123.687 120.500 0.081 0.000 2.771 164 R HA 0.770 5.110 4.340 0.000 0.000 0.274 164 R C -0.247 176.175 176.300 0.204 0.000 0.987 164 R CA -0.368 55.815 56.100 0.137 0.000 0.908 164 R CB 2.060 32.398 30.300 0.064 0.000 1.213 164 R HN 1.133 nan 8.270 nan 0.000 0.468 165 G N 0.345 109.293 108.800 0.247 0.000 2.225 165 G HA2 0.269 4.229 3.960 0.000 0.000 0.203 165 G HA3 0.269 4.229 3.960 0.000 0.000 0.203 165 G C -1.808 173.192 174.900 0.167 0.000 1.335 165 G CA -0.275 45.016 45.100 0.319 0.000 1.183 165 G HN 0.788 nan 8.290 nan 0.000 0.488 166 A N -0.618 122.369 122.820 0.279 0.000 2.449 166 A HA 1.033 5.353 4.320 0.000 0.000 0.302 166 A C -0.995 176.784 177.584 0.325 0.000 1.048 166 A CA 0.069 52.131 52.037 0.042 0.000 0.708 166 A CB 1.405 20.363 19.000 -0.070 0.000 1.274 166 A HN 2.282 nan 8.150 nan 0.000 0.410 167 Y N -1.732 118.624 120.300 0.095 0.000 2.521 167 Y HA 0.719 5.269 4.550 0.000 0.000 0.326 167 Y C -0.592 175.338 175.900 0.050 0.000 1.176 167 Y CA -0.970 57.228 58.100 0.163 0.000 1.079 167 Y CB 0.861 39.454 38.460 0.221 0.000 1.341 167 Y HN 1.213 nan 8.280 nan 0.000 0.456 168 A N 2.002 124.915 122.820 0.155 0.000 2.332 168 A HA 0.836 5.156 4.320 0.000 0.000 0.300 168 A C -1.129 176.450 177.584 -0.007 0.000 1.153 168 A CA -0.576 51.470 52.037 0.016 0.000 0.764 168 A CB 0.400 19.401 19.000 0.002 0.000 1.174 168 A HN 0.943 nan 8.150 nan 0.000 0.467 169 C N 0.967 120.122 119.300 -0.242 0.000 2.707 169 C HA 0.871 5.331 4.460 0.000 0.000 0.313 169 C C -0.117 174.708 174.990 -0.275 0.000 1.209 169 C CA -0.685 58.123 59.018 -0.350 0.000 1.635 169 C CB 1.453 28.645 27.740 -0.914 0.000 2.206 169 C HN 0.841 nan 8.230 nan 0.000 0.485 170 V N 1.619 121.472 119.914 -0.103 0.000 2.760 170 V HA 0.943 5.063 4.120 0.000 0.000 0.309 170 V C -0.496 175.642 176.094 0.073 0.000 1.077 170 V CA 0.221 62.529 62.300 0.013 0.000 0.910 170 V CB 1.741 33.592 31.823 0.046 0.000 1.008 170 V HN 1.394 nan 8.190 nan 0.000 0.424 171 A N 6.677 129.594 122.820 0.163 0.000 2.602 171 A HA 0.990 5.310 4.320 0.000 0.000 0.290 171 A C -1.325 176.425 177.584 0.277 0.000 1.114 171 A CA -0.796 51.382 52.037 0.234 0.000 0.683 171 A CB 2.240 21.457 19.000 0.362 0.000 1.281 171 A HN 0.840 nan 8.150 nan 0.000 0.416 172 M N 0.514 120.297 119.600 0.306 0.000 2.501 172 M HA 0.541 5.021 4.480 0.000 0.000 0.293 172 M C -1.564 174.986 176.300 0.417 0.000 1.192 172 M CA -0.089 55.422 55.300 0.351 0.000 0.886 172 M CB 2.303 35.124 32.600 0.369 0.000 1.710 172 M HN 0.538 nan 8.290 nan 0.000 0.457 173 I N 3.243 124.025 120.570 0.353 0.000 2.418 173 I HA 0.355 4.525 4.170 0.000 0.000 0.287 173 I C -0.217 176.069 176.117 0.282 0.000 1.008 173 I CA -0.963 60.511 61.300 0.289 0.000 1.104 173 I CB 1.658 39.706 38.000 0.080 0.000 1.264 173 I HN 0.517 nan 8.210 nan 0.000 0.438 174 I N 5.451 126.148 120.570 0.212 0.000 2.826 174 I HA -0.033 4.137 4.170 0.000 0.000 0.295 174 I C 1.542 177.792 176.117 0.223 0.000 1.213 174 I CA 1.215 62.554 61.300 0.066 0.000 1.436 174 I CB -0.342 37.624 38.000 -0.057 0.000 1.348 174 I HN 1.020 nan 8.210 nan 0.000 0.570 175 G N 5.008 113.858 108.800 0.084 0.000 2.184 175 G HA2 -0.310 3.650 3.960 0.000 0.000 0.264 175 G HA3 -0.310 3.650 3.960 0.000 0.000 0.264 175 G C 0.572 175.262 174.900 -0.350 0.000 0.975 175 G CA 0.821 45.887 45.100 -0.057 0.000 0.642 175 G HN 0.751 nan 8.290 nan 0.000 0.536 176 H N -1.202 117.883 119.070 0.026 0.000 2.074 176 H HA 0.546 5.102 4.556 0.000 0.000 0.198 176 H C 1.474 176.917 175.328 0.192 0.000 0.938 176 H CA 1.318 57.412 56.048 0.076 0.000 1.125 176 H CB 0.408 30.171 29.762 0.003 0.000 1.195 176 H HN 1.143 nan 8.280 nan 0.000 0.430 177 G N -0.209 108.827 108.800 0.394 0.000 2.404 177 G HA2 0.228 4.188 3.960 0.000 0.000 0.253 177 G HA3 0.228 4.188 3.960 0.000 0.000 0.253 177 G C -1.543 173.566 174.900 0.348 0.000 1.253 177 G CA -0.386 44.897 45.100 0.304 0.000 0.917 177 G HN 0.235 nan 8.290 nan 0.000 0.480 178 M N 0.988 120.768 119.600 0.301 0.000 2.436 178 M HA 0.721 5.201 4.480 0.000 0.000 0.331 178 M C -0.473 176.049 176.300 0.369 0.000 1.135 178 M CA -0.979 54.497 55.300 0.294 0.000 0.987 178 M CB 1.896 34.617 32.600 0.203 0.000 1.687 178 M HN 1.198 nan 8.290 nan 0.000 0.445 179 V N 1.717 121.841 119.914 0.350 0.000 2.914 179 V HA 1.073 5.193 4.120 0.000 0.000 0.314 179 V C -1.209 175.068 176.094 0.306 0.000 1.084 179 V CA -0.447 62.072 62.300 0.365 0.000 0.963 179 V CB 1.457 33.486 31.823 0.344 0.000 1.025 179 V HN 1.076 nan 8.190 nan 0.000 0.432 180 A N 3.564 126.577 122.820 0.322 0.000 2.515 180 A HA 1.052 5.372 4.320 0.000 0.000 0.298 180 A C -1.088 176.709 177.584 0.356 0.000 1.059 180 A CA -0.488 51.677 52.037 0.215 0.000 0.698 180 A CB 1.726 20.809 19.000 0.139 0.000 1.289 180 A HN 2.207 nan 8.150 nan 0.000 0.404 181 F N -0.855 119.145 119.950 0.084 0.000 2.693 181 F HA 0.860 5.388 4.527 0.000 0.000 0.309 181 F C -0.922 174.934 175.800 0.094 0.000 1.129 181 F CA -0.855 57.195 58.000 0.083 0.000 0.948 181 F CB 1.364 40.406 39.000 0.070 0.000 1.315 181 F HN 0.741 nan 8.300 nan 0.000 0.447 182 R N 1.166 121.819 120.500 0.254 0.000 2.750 182 R HA 0.420 4.760 4.340 0.000 0.000 0.281 182 R C -1.380 174.851 176.300 -0.115 0.000 0.972 182 R CA -0.777 55.337 56.100 0.024 0.000 0.912 182 R CB 1.827 32.127 30.300 0.000 0.000 1.187 182 R HN 0.966 nan 8.270 nan 0.000 0.464 183 D N 3.194 123.253 120.400 -0.568 0.000 2.419 183 D HA 0.025 4.665 4.640 0.000 0.000 0.236 183 D C -1.826 174.279 176.300 -0.326 0.000 1.165 183 D CA -1.040 52.434 54.000 -0.875 0.000 0.882 183 D CB 0.715 40.824 40.800 -1.153 0.000 1.201 183 D HN 0.211 nan 8.370 nan 0.000 0.443 184 P HA -0.136 nan 4.420 nan 0.000 0.220 184 P C 0.278 177.515 177.300 -0.105 0.000 1.144 184 P CA 0.949 63.992 63.100 -0.095 0.000 0.800 184 P CB 0.079 31.755 31.700 -0.041 0.000 0.772 185 N N -1.672 116.935 118.700 -0.155 0.000 2.230 185 N HA 0.074 4.814 4.740 0.000 0.000 0.202 185 N C 0.903 176.337 175.510 -0.127 0.000 1.119 185 N CA 0.594 53.562 53.050 -0.136 0.000 0.851 185 N CB 0.100 38.488 38.487 -0.165 0.000 0.990 185 N HN 0.040 nan 8.380 nan 0.000 0.497 186 G N 1.989 110.712 108.800 -0.129 0.000 2.379 186 G HA2 -0.278 3.683 3.960 0.000 0.000 0.297 186 G HA3 -0.278 3.683 3.960 0.000 0.000 0.297 186 G C 0.952 175.811 174.900 -0.069 0.000 1.004 186 G CA 0.360 45.409 45.100 -0.085 0.000 0.921 186 G HN 0.383 nan 8.290 nan 0.000 0.511 187 I N -0.927 119.568 120.570 -0.125 0.000 2.233 187 I HA 0.044 4.214 4.170 0.000 0.000 0.243 187 I C 1.884 177.972 176.117 -0.049 0.000 1.093 187 I CA 0.837 62.080 61.300 -0.094 0.000 1.380 187 I CB -0.168 37.707 38.000 -0.209 0.000 1.067 187 I HN 0.132 nan 8.210 nan 0.000 0.413 188 R N 2.136 122.593 120.500 -0.072 0.000 2.457 188 R HA 0.318 4.658 4.340 0.000 0.000 0.284 188 R C -2.317 173.970 176.300 -0.023 0.000 1.024 188 R CA -1.849 54.225 56.100 -0.045 0.000 1.025 188 R CB 0.268 30.544 30.300 -0.040 0.000 1.063 188 R HN -0.001 nan 8.270 nan 0.000 0.493 189 P HA 0.237 nan 4.420 nan 0.000 0.279 189 P C -0.936 176.385 177.300 0.036 0.000 1.239 189 P CA -0.418 62.696 63.100 0.023 0.000 0.789 189 P CB 1.067 32.781 31.700 0.022 0.000 0.933 190 L N 3.876 125.135 121.223 0.060 0.000 2.676 190 L HA 0.367 4.707 4.340 0.000 0.000 0.262 190 L C -1.069 175.853 176.870 0.086 0.000 0.932 190 L CA -0.738 54.138 54.840 0.061 0.000 0.932 190 L CB 1.694 43.774 42.059 0.036 0.000 1.355 190 L HN 0.318 nan 8.230 nan 0.000 0.421 191 V N 2.229 122.203 119.914 0.099 0.000 2.960 191 V HA 0.862 4.982 4.120 0.000 0.000 0.315 191 V C -1.255 174.855 176.094 0.026 0.000 1.087 191 V CA -0.859 61.499 62.300 0.096 0.000 0.982 191 V CB 1.974 33.961 31.823 0.272 0.000 1.039 191 V HN 0.843 nan 8.190 nan 0.000 0.437 192 L N 1.960 123.138 121.223 -0.076 0.000 2.354 192 L HA 1.078 5.418 4.340 0.000 0.000 0.269 192 L C 0.055 176.871 176.870 -0.090 0.000 1.005 192 L CA 0.471 55.286 54.840 -0.041 0.000 0.819 192 L CB 1.695 43.740 42.059 -0.022 0.000 1.311 192 L HN 1.259 nan 8.230 nan 0.000 0.423 193 G N 2.692 111.531 108.800 0.065 0.000 2.708 193 G HA2 0.701 4.661 3.960 0.000 0.000 0.289 193 G HA3 0.701 4.661 3.960 0.000 0.000 0.289 193 G C -1.987 173.087 174.900 0.291 0.000 1.416 193 G CA -0.701 44.484 45.100 0.142 0.000 0.829 193 G HN 0.837 nan 8.290 nan 0.000 0.480 194 K N -1.125 119.409 120.400 0.222 0.000 2.509 194 K HA 0.818 5.138 4.320 0.000 0.000 0.266 194 K C -1.121 175.289 176.600 -0.316 0.000 0.987 194 K CA -1.169 55.089 56.287 -0.048 0.000 0.868 194 K CB 2.695 35.038 32.500 -0.262 0.000 1.421 194 K HN 0.510 nan 8.250 nan 0.000 0.444 195 R N 1.567 121.689 120.500 -0.630 0.000 2.539 195 R HA 0.192 4.532 4.340 0.000 0.000 0.295 195 R C -1.375 174.648 176.300 -0.461 0.000 1.138 195 R CA -0.490 55.170 56.100 -0.733 0.000 0.936 195 R CB 1.110 30.598 30.300 -1.354 0.000 1.182 195 R HN 0.756 nan 8.270 nan 0.000 0.459 196 D N 5.423 125.636 120.400 -0.312 0.000 2.350 196 D HA 0.098 4.738 4.640 0.000 0.000 0.249 196 D C 1.018 177.208 176.300 -0.183 0.000 1.119 196 D CA -0.082 53.785 54.000 -0.222 0.000 0.886 196 D CB 1.488 42.194 40.800 -0.155 0.000 1.195 196 D HN 0.399 nan 8.370 nan 0.000 0.437 197 I N 0.708 121.190 120.570 -0.147 0.000 3.300 197 I HA 0.020 4.190 4.170 0.000 0.000 0.279 197 I C 0.657 176.727 176.117 -0.078 0.000 1.172 197 I CA 0.670 61.904 61.300 -0.109 0.000 1.431 197 I CB -0.438 37.506 38.000 -0.094 0.000 1.240 197 I HN 0.467 nan 8.210 nan 0.000 0.453 198 D N -0.747 119.610 120.400 -0.071 0.000 2.865 198 D HA 0.069 4.709 4.640 0.000 0.000 0.343 198 D C -0.523 175.750 176.300 -0.046 0.000 1.372 198 D CA -0.644 53.325 54.000 -0.052 0.000 0.862 198 D CB 0.657 41.433 40.800 -0.040 0.000 1.425 198 D HN -0.201 nan 8.370 nan 0.000 0.501 199 E N -0.013 120.166 120.200 -0.034 0.000 2.606 199 E HA 0.144 4.494 4.350 0.000 0.000 0.248 199 E C -0.112 176.473 176.600 -0.025 0.000 1.005 199 E CA 0.776 57.159 56.400 -0.027 0.000 0.946 199 E CB -0.376 29.312 29.700 -0.020 0.000 0.928 199 E HN 0.610 nan 8.360 nan 0.000 0.494 200 N N 3.357 122.043 118.700 -0.024 0.000 2.725 200 N HA -0.250 4.490 4.740 0.000 0.000 0.249 200 N C -1.294 174.205 175.510 -0.018 0.000 1.103 200 N CA 1.002 54.042 53.050 -0.017 0.000 0.707 200 N CB -0.471 38.009 38.487 -0.011 0.000 1.043 200 N HN 0.526 nan 8.380 nan 0.000 0.553 201 R N 0.330 120.809 120.500 -0.035 0.000 2.545 201 R HA 0.341 4.681 4.340 0.000 0.000 0.289 201 R C -1.124 175.125 176.300 -0.086 0.000 1.327 201 R CA -0.390 55.686 56.100 -0.041 0.000 1.040 201 R CB 1.286 31.563 30.300 -0.037 0.000 1.176 201 R HN 0.080 nan 8.270 nan 0.000 0.518 202 T N 1.400 115.889 114.554 -0.109 0.000 2.893 202 T HA 0.329 4.679 4.350 0.000 0.000 0.291 202 T C -0.472 174.041 174.700 -0.312 0.000 1.028 202 T CA -0.798 61.140 62.100 -0.270 0.000 0.995 202 T CB 2.489 71.126 68.868 -0.384 0.000 1.051 202 T HN 0.323 nan 8.240 nan 0.000 0.470 203 E N 1.006 120.993 120.200 -0.356 0.000 2.214 203 E HA 0.499 4.849 4.350 0.000 0.000 0.274 203 E C -1.244 175.209 176.600 -0.245 0.000 0.977 203 E CA -0.674 55.642 56.400 -0.140 0.000 0.827 203 E CB 1.421 31.123 29.700 0.003 0.000 1.130 203 E HN 0.521 nan 8.360 nan 0.000 0.394 204 Y N 0.998 121.441 120.300 0.239 0.000 2.524 204 Y HA 0.513 5.063 4.550 0.000 0.000 0.344 204 Y C 0.056 176.063 175.900 0.178 0.000 1.012 204 Y CA -0.916 57.321 58.100 0.227 0.000 1.068 204 Y CB 2.007 40.520 38.460 0.089 0.000 1.249 204 Y HN 0.391 nan 8.280 nan 0.000 0.468 205 M N 3.073 122.804 119.600 0.219 0.000 2.470 205 M HA 0.768 5.248 4.480 0.000 0.000 0.285 205 M C -2.182 174.117 176.300 -0.001 0.000 1.213 205 M CA -0.853 54.414 55.300 -0.055 0.000 0.901 205 M CB 2.014 34.263 32.600 -0.584 0.000 1.718 205 M HN 0.490 nan 8.290 nan 0.000 0.469 206 V N 0.707 120.615 119.914 -0.010 0.000 2.914 206 V HA 1.100 5.220 4.120 0.000 0.000 0.314 206 V C -0.816 175.274 176.094 -0.007 0.000 1.084 206 V CA -0.191 62.118 62.300 0.016 0.000 0.963 206 V CB 1.058 32.909 31.823 0.047 0.000 1.025 206 V HN 1.222 nan 8.190 nan 0.000 0.432 207 A N 1.685 124.515 122.820 0.016 0.000 2.610 207 A HA 0.728 5.048 4.320 0.000 0.000 0.291 207 A C 0.530 178.136 177.584 0.036 0.000 1.086 207 A CA 0.137 52.181 52.037 0.011 0.000 0.677 207 A CB 1.121 20.120 19.000 -0.001 0.000 1.278 207 A HN 0.958 nan 8.150 nan 0.000 0.414 208 S N -0.192 115.522 115.700 0.023 0.000 2.399 208 S HA -0.009 4.462 4.470 0.000 0.000 0.231 208 S C 0.569 175.209 174.600 0.067 0.000 1.022 208 S CA 1.618 59.838 58.200 0.034 0.000 0.983 208 S CB -0.118 63.087 63.200 0.009 0.000 0.803 208 S HN 0.636 nan 8.310 nan 0.000 0.480 209 E N -0.456 119.792 120.200 0.080 0.000 2.367 209 E HA 0.281 4.631 4.350 0.000 0.000 0.273 209 E C 0.309 176.996 176.600 0.146 0.000 0.903 209 E CA -0.156 56.314 56.400 0.115 0.000 0.764 209 E CB 1.752 31.521 29.700 0.114 0.000 1.252 209 E HN 0.183 nan 8.360 nan 0.000 0.446 210 S N 0.322 116.139 115.700 0.195 0.000 2.474 210 S HA -0.124 4.346 4.470 0.000 0.000 0.235 210 S C 1.791 176.493 174.600 0.171 0.000 0.997 210 S CA 0.659 59.004 58.200 0.242 0.000 0.949 210 S CB -0.012 63.335 63.200 0.245 0.000 0.766 210 S HN 0.341 nan 8.310 nan 0.000 0.517 211 V N 1.896 121.885 119.914 0.125 0.000 2.490 211 V HA -0.084 4.036 4.120 0.000 0.000 0.250 211 V C 2.701 178.844 176.094 0.081 0.000 1.061 211 V CA 1.718 64.073 62.300 0.091 0.000 1.064 211 V CB -1.105 30.751 31.823 0.056 0.000 0.670 211 V HN 0.637 nan 8.190 nan 0.000 0.461 212 A N -0.739 122.126 122.820 0.073 0.000 1.969 212 A HA -0.071 4.249 4.320 0.000 0.000 0.218 212 A C 2.001 179.599 177.584 0.024 0.000 1.169 212 A CA 1.684 53.741 52.037 0.033 0.000 0.635 212 A CB -0.445 18.556 19.000 0.002 0.000 0.810 212 A HN 0.503 nan 8.150 nan 0.000 0.445 213 L N 0.053 121.319 121.223 0.072 0.000 2.072 213 L HA -0.099 4.241 4.340 0.000 0.000 0.205 213 L C 1.929 178.906 176.870 0.179 0.000 1.079 213 L CA 1.833 56.741 54.840 0.113 0.000 0.752 213 L CB -0.693 41.494 42.059 0.213 0.000 0.906 213 L HN 0.289 nan 8.230 nan 0.000 0.436 214 D N -1.183 119.307 120.400 0.151 0.000 2.092 214 D HA -0.220 4.420 4.640 0.000 0.000 0.193 214 D C 2.162 178.529 176.300 0.112 0.000 0.994 214 D CA 1.904 55.980 54.000 0.127 0.000 0.828 214 D CB -0.474 40.386 40.800 0.100 0.000 0.963 214 D HN 0.208 nan 8.370 nan 0.000 0.450 215 T N 0.039 114.648 114.554 0.092 0.000 2.803 215 T HA -0.075 4.275 4.350 0.000 0.000 0.269 215 T C 1.683 176.445 174.700 0.103 0.000 1.052 215 T CA 0.615 62.763 62.100 0.079 0.000 1.136 215 T CB -0.134 68.769 68.868 0.058 0.000 0.864 215 T HN 0.072 nan 8.240 nan 0.000 0.467 216 L N -0.070 121.239 121.223 0.144 0.000 2.592 216 L HA 0.296 4.636 4.340 0.000 0.000 0.227 216 L C 1.684 178.728 176.870 0.290 0.000 1.127 216 L CA 0.382 55.353 54.840 0.218 0.000 0.884 216 L CB -0.215 41.981 42.059 0.228 0.000 1.065 216 L HN 0.465 nan 8.230 nan 0.000 0.457 217 G N 0.259 109.186 108.800 0.211 0.000 2.176 217 G HA2 -0.308 3.652 3.960 0.000 0.000 0.252 217 G HA3 -0.308 3.652 3.960 0.000 0.000 0.252 217 G C -0.077 174.897 174.900 0.123 0.000 1.024 217 G CA -0.228 44.950 45.100 0.130 0.000 0.755 217 G HN 0.154 nan 8.290 nan 0.000 0.507 218 F N 1.380 121.345 119.950 0.026 0.000 2.394 218 F HA 0.389 4.916 4.527 0.000 0.000 0.340 218 F C 0.755 176.579 175.800 0.040 0.000 1.105 218 F CA -1.303 56.706 58.000 0.016 0.000 1.124 218 F CB 0.921 39.935 39.000 0.023 0.000 1.145 218 F HN 0.011 nan 8.300 nan 0.000 0.505 219 D N 3.377 123.838 120.400 0.103 0.000 2.383 219 D HA -0.018 4.622 4.640 0.000 0.000 0.252 219 D C -0.264 176.143 176.300 0.178 0.000 1.166 219 D CA 0.033 54.098 54.000 0.109 0.000 0.879 219 D CB 0.493 41.308 40.800 0.026 0.000 1.164 219 D HN 0.288 nan 8.370 nan 0.000 0.462 220 F N 2.515 122.500 119.950 0.060 0.000 2.504 220 F HA 0.069 4.596 4.527 0.000 0.000 0.369 220 F C 0.504 176.333 175.800 0.049 0.000 1.082 220 F CA -0.107 57.929 58.000 0.060 0.000 1.216 220 F CB 0.450 39.461 39.000 0.018 0.000 1.108 220 F HN 0.289 nan 8.300 nan 0.000 0.554 221 L N 5.174 126.056 121.223 -0.569 0.000 2.265 221 L HA 0.312 4.652 4.340 0.000 0.000 0.195 221 L C 0.324 176.797 176.870 -0.661 0.000 1.083 221 L CA 0.178 54.784 54.840 -0.391 0.000 0.798 221 L CB -0.088 41.864 42.059 -0.178 0.000 0.989 221 L HN 0.735 nan 8.230 nan 0.000 0.472 222 R N -1.464 118.455 120.500 -0.969 0.000 2.829 222 R HA 0.229 4.570 4.340 0.000 0.000 0.284 222 R C -1.893 174.202 176.300 -0.342 0.000 1.006 222 R CA -0.913 54.822 56.100 -0.610 0.000 0.844 222 R CB 0.317 30.519 30.300 -0.164 0.000 1.309 222 R HN -0.223 nan 8.270 nan 0.000 0.494 223 D N 0.450 120.856 120.400 0.009 0.000 2.341 223 D HA 0.295 4.935 4.640 0.000 0.000 0.245 223 D C -0.320 175.996 176.300 0.027 0.000 1.106 223 D CA -0.211 53.841 54.000 0.087 0.000 0.905 223 D CB 1.302 42.198 40.800 0.160 0.000 1.202 223 D HN 0.280 nan 8.370 nan 0.000 0.426 224 V N 1.983 121.919 119.914 0.036 0.000 2.572 224 V HA 0.320 4.440 4.120 0.000 0.000 0.291 224 V C 0.670 176.784 176.094 0.034 0.000 1.039 224 V CA -0.460 61.860 62.300 0.034 0.000 1.055 224 V CB 0.763 32.617 31.823 0.053 0.000 0.969 224 V HN 0.709 nan 8.190 nan 0.000 0.482 225 A N 8.073 130.907 122.820 0.023 0.000 2.406 225 A HA 0.502 4.822 4.320 0.000 0.000 0.243 225 A C -2.325 175.263 177.584 0.007 0.000 1.082 225 A CA -1.255 50.790 52.037 0.014 0.000 0.786 225 A CB -0.251 18.750 19.000 0.002 0.000 1.029 225 A HN 0.701 nan 8.150 nan 0.000 0.495 226 P HA 0.240 nan 4.420 nan 0.000 0.263 226 P C 0.958 178.244 177.300 -0.023 0.000 1.195 226 P CA 1.989 65.069 63.100 -0.032 0.000 0.762 226 P CB 0.595 32.268 31.700 -0.044 0.000 0.799 227 G N 1.855 110.644 108.800 -0.018 0.000 2.179 227 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 227 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 227 G C 0.234 175.154 174.900 0.033 0.000 0.977 227 G CA 0.025 45.131 45.100 0.011 0.000 0.641 227 G HN 0.608 nan 8.290 nan 0.000 0.533 228 E N 0.534 120.757 120.200 0.038 0.000 2.319 228 E HA 0.676 5.026 4.350 0.000 0.000 0.268 228 E C 0.285 176.955 176.600 0.117 0.000 1.050 228 E CA -0.064 56.357 56.400 0.035 0.000 0.878 228 E CB 1.030 30.738 29.700 0.014 0.000 1.066 228 E HN 0.785 nan 8.360 nan 0.000 0.406 229 A N 3.894 126.777 122.820 0.105 0.000 2.380 229 A HA 0.619 4.939 4.320 0.000 0.000 0.315 229 A C -1.111 176.655 177.584 0.302 0.000 1.101 229 A CA -0.762 51.432 52.037 0.263 0.000 0.771 229 A CB 1.008 20.206 19.000 0.330 0.000 1.287 229 A HN 0.507 nan 8.150 nan 0.000 0.436 230 I N 1.060 121.859 120.570 0.380 0.000 2.545 230 I HA 0.383 4.553 4.170 0.000 0.000 0.292 230 I C -1.321 175.083 176.117 0.479 0.000 1.040 230 I CA -0.452 61.060 61.300 0.353 0.000 1.068 230 I CB 1.521 39.634 38.000 0.189 0.000 1.251 230 I HN 0.724 nan 8.210 nan 0.000 0.424 231 Y N 6.743 127.241 120.300 0.330 0.000 2.346 231 Y HA 0.594 5.144 4.550 0.000 0.000 0.332 231 Y C -1.384 174.603 175.900 0.145 0.000 0.985 231 Y CA -1.379 56.839 58.100 0.196 0.000 1.112 231 Y CB 1.269 39.725 38.460 -0.007 0.000 1.170 231 Y HN 0.299 nan 8.280 nan 0.000 0.447 232 I N 6.425 126.893 120.570 -0.170 0.000 2.382 232 I HA 0.235 4.405 4.170 0.000 0.000 0.286 232 I C 0.472 176.349 176.117 -0.401 0.000 1.002 232 I CA -0.533 60.581 61.300 -0.311 0.000 1.135 232 I CB 1.227 39.166 38.000 -0.101 0.000 1.288 232 I HN 0.752 nan 8.210 nan 0.000 0.448 233 T N 1.681 115.952 114.554 -0.473 0.000 2.788 233 T HA 0.236 4.586 4.350 0.000 0.000 0.287 233 T C 1.038 175.685 174.700 -0.088 0.000 1.007 233 T CA -0.409 61.512 62.100 -0.299 0.000 1.005 233 T CB 1.302 70.073 68.868 -0.162 0.000 1.012 233 T HN 0.583 nan 8.240 nan 0.000 0.530 234 E N 0.420 120.607 120.200 -0.022 0.000 2.265 234 E HA -0.128 4.222 4.350 0.000 0.000 0.196 234 E C 1.500 178.103 176.600 0.005 0.000 0.996 234 E CA 1.139 57.545 56.400 0.011 0.000 0.832 234 E CB -0.044 29.664 29.700 0.012 0.000 0.756 234 E HN 0.745 nan 8.360 nan 0.000 0.491 235 E N -0.474 119.720 120.200 -0.011 0.000 2.502 235 E HA 0.093 4.443 4.350 0.000 0.000 0.194 235 E C 0.933 177.531 176.600 -0.003 0.000 1.062 235 E CA 0.502 56.899 56.400 -0.004 0.000 0.867 235 E CB 0.452 30.149 29.700 -0.004 0.000 0.888 235 E HN 0.308 nan 8.360 nan 0.000 0.510 236 G N 0.897 109.696 108.800 -0.003 0.000 2.136 236 G HA2 -0.324 3.636 3.960 0.000 0.000 0.242 236 G HA3 -0.324 3.636 3.960 0.000 0.000 0.242 236 G C -0.170 174.728 174.900 -0.004 0.000 0.989 236 G CA -0.114 45.010 45.100 0.039 0.000 0.682 236 G HN 0.304 nan 8.290 nan 0.000 0.522 237 Q N -0.837 118.871 119.800 -0.154 0.000 2.230 237 Q HA 0.724 5.065 4.340 0.000 0.000 0.253 237 Q C -0.110 175.484 176.000 -0.677 0.000 0.919 237 Q CA -0.868 54.716 55.803 -0.365 0.000 0.908 237 Q CB 2.250 30.765 28.738 -0.372 0.000 1.245 237 Q HN 0.368 nan 8.270 nan 0.000 0.437 238 L N 2.394 123.126 121.223 -0.819 0.000 2.295 238 L HA 0.606 4.946 4.340 0.000 0.000 0.285 238 L C -1.726 174.591 176.870 -0.923 0.000 1.035 238 L CA 0.038 54.376 54.840 -0.836 0.000 0.806 238 L CB 0.456 42.063 42.059 -0.753 0.000 1.214 238 L HN 0.479 nan 8.230 nan 0.000 0.426 239 F N 1.945 121.879 119.950 -0.027 0.000 2.599 239 F HA 0.815 5.342 4.527 0.000 0.000 0.311 239 F C 0.187 176.155 175.800 0.279 0.000 1.076 239 F CA -0.356 57.758 58.000 0.190 0.000 0.937 239 F CB 2.398 41.649 39.000 0.418 0.000 1.282 239 F HN 0.612 nan 8.300 nan 0.000 0.460 240 T N -0.355 114.373 114.554 0.291 0.000 2.843 240 T HA 0.833 5.183 4.350 0.000 0.000 0.302 240 T C -1.316 173.092 174.700 -0.487 0.000 1.232 240 T CA -0.929 61.166 62.100 -0.009 0.000 1.009 240 T CB 2.760 71.618 68.868 -0.016 0.000 1.254 240 T HN 0.894 nan 8.240 nan 0.000 0.504 241 R N 0.689 120.815 120.500 -0.623 0.000 2.644 241 R HA 0.356 4.696 4.340 0.000 0.000 0.257 241 R C -1.798 174.303 176.300 -0.330 0.000 1.082 241 R CA -0.608 55.117 56.100 -0.625 0.000 0.927 241 R CB 1.890 31.485 30.300 -1.174 0.000 1.258 241 R HN 0.744 nan 8.270 nan 0.000 0.459 242 Q N 2.214 121.895 119.800 -0.198 0.000 2.296 242 Q HA 0.207 4.547 4.340 0.000 0.000 0.262 242 Q C -0.804 175.138 176.000 -0.096 0.000 0.981 242 Q CA 0.326 56.066 55.803 -0.105 0.000 0.905 242 Q CB 0.887 29.581 28.738 -0.072 0.000 1.186 242 Q HN 0.666 nan 8.270 nan 0.000 0.399 243 C N 3.714 122.981 119.300 -0.055 0.000 2.976 243 C HA 0.821 5.281 4.460 0.000 0.000 0.274 243 C C 0.006 174.991 174.990 -0.008 0.000 1.487 243 C CA 0.009 59.008 59.018 -0.032 0.000 1.789 243 C CB -0.995 26.729 27.740 -0.028 0.000 2.771 243 C HN 0.776 nan 8.230 nan 0.000 0.551 244 A N 0.140 122.956 122.820 -0.007 0.000 2.435 244 A HA 0.581 4.901 4.320 0.000 0.000 0.304 244 A C 0.326 177.908 177.584 -0.004 0.000 1.064 244 A CA -0.199 51.841 52.037 0.005 0.000 0.727 244 A CB 1.000 20.004 19.000 0.007 0.000 1.284 244 A HN 0.215 nan 8.150 nan 0.000 0.415 245 D N 0.783 121.184 120.400 0.002 0.000 2.084 245 D HA -0.079 4.561 4.640 0.000 0.000 0.196 245 D C -0.042 176.254 176.300 -0.007 0.000 0.985 245 D CA 1.817 55.816 54.000 -0.002 0.000 0.826 245 D CB 0.097 40.899 40.800 0.003 0.000 0.978 245 D HN 0.658 nan 8.370 nan 0.000 0.456 246 N N 0.841 119.537 118.700 -0.008 0.000 2.733 246 N HA 0.179 4.919 4.740 0.000 0.000 0.271 246 N C -2.618 172.881 175.510 -0.020 0.000 1.720 246 N CA -0.763 52.279 53.050 -0.013 0.000 0.803 246 N CB 2.025 40.506 38.487 -0.010 0.000 1.208 246 N HN 0.036 nan 8.380 nan 0.000 0.498 247 P HA 0.106 nan 4.420 nan 0.000 0.268 247 P C -0.608 176.670 177.300 -0.036 0.000 1.204 247 P CA 0.023 63.104 63.100 -0.032 0.000 0.768 247 P CB 1.430 33.113 31.700 -0.028 0.000 0.842 248 V N 1.480 121.366 119.914 -0.047 0.000 3.007 248 V HA 0.343 4.463 4.120 0.000 0.000 0.311 248 V C 0.137 176.193 176.094 -0.063 0.000 1.120 248 V CA -0.714 61.555 62.300 -0.052 0.000 0.980 248 V CB 2.086 33.878 31.823 -0.052 0.000 1.033 248 V HN 0.620 nan 8.190 nan 0.000 0.429 249 S N 2.416 118.074 115.700 -0.071 0.000 2.434 249 S HA 0.453 4.923 4.470 0.000 0.000 0.318 249 S C -0.136 174.396 174.600 -0.113 0.000 1.062 249 S CA -0.456 57.697 58.200 -0.077 0.000 1.116 249 S CB -0.501 62.656 63.200 -0.071 0.000 0.977 249 S HN 0.815 nan 8.310 nan 0.000 0.480 250 N N 5.227 123.876 118.700 -0.084 0.000 2.765 250 N HA 0.275 5.015 4.740 0.000 0.000 0.277 250 N C -2.998 172.525 175.510 0.021 0.000 1.750 250 N CA -1.381 51.628 53.050 -0.068 0.000 0.827 250 N CB 1.333 39.788 38.487 -0.053 0.000 1.200 250 N HN 0.362 nan 8.380 nan 0.000 0.494 251 P HA -0.080 nan 4.420 nan 0.000 0.266 251 P C 0.188 177.693 177.300 0.342 0.000 1.195 251 P CA -0.311 62.930 63.100 0.235 0.000 0.768 251 P CB 0.517 32.472 31.700 0.424 0.000 0.838 252 C N 5.093 124.515 119.300 0.204 0.000 2.638 252 C HA 0.048 4.508 4.460 0.000 0.000 0.410 252 C C 1.926 177.089 174.990 0.289 0.000 1.404 252 C CA -0.129 59.011 59.018 0.204 0.000 1.651 252 C CB -1.941 25.847 27.740 0.079 0.000 2.495 252 C HN 0.603 nan 8.230 nan 0.000 0.606 253 L N 5.630 127.083 121.223 0.383 0.000 2.291 253 L HA 0.137 4.477 4.340 0.000 0.000 0.214 253 L C 1.666 178.709 176.870 0.287 0.000 1.120 253 L CA 1.624 56.682 54.840 0.363 0.000 0.799 253 L CB -0.875 41.366 42.059 0.304 0.000 0.925 253 L HN 0.820 nan 8.230 nan 0.000 0.446 254 F N 0.049 120.069 119.950 0.116 0.000 2.234 254 F HA -0.155 4.372 4.527 0.000 0.000 0.299 254 F C 2.408 178.131 175.800 -0.130 0.000 1.087 254 F CA 1.183 59.200 58.000 0.028 0.000 1.340 254 F CB -0.139 38.817 39.000 -0.073 0.000 1.031 254 F HN 0.154 nan 8.300 nan 0.000 0.500 255 E N -0.567 119.589 120.200 -0.074 0.000 2.097 255 E HA -0.257 4.093 4.350 0.000 0.000 0.196 255 E C 2.179 178.609 176.600 -0.284 0.000 1.000 255 E CA 1.720 57.995 56.400 -0.208 0.000 0.804 255 E CB -0.740 28.744 29.700 -0.360 0.000 0.740 255 E HN 0.461 nan 8.360 nan 0.000 0.454 256 Y N 0.442 120.715 120.300 -0.044 0.000 2.200 256 Y HA -0.140 4.410 4.550 0.000 0.000 0.290 256 Y C 2.596 178.431 175.900 -0.109 0.000 1.137 256 Y CA 0.551 58.601 58.100 -0.083 0.000 1.163 256 Y CB -0.904 37.484 38.460 -0.119 0.000 0.988 256 Y HN -0.161 nan 8.280 nan 0.000 0.518 257 V N -0.723 119.178 119.914 -0.022 0.000 2.332 257 V HA -0.278 3.842 4.120 0.000 0.000 0.248 257 V C 1.364 177.495 176.094 0.061 0.000 1.055 257 V CA 2.724 64.996 62.300 -0.047 0.000 1.038 257 V CB -0.676 31.038 31.823 -0.183 0.000 0.651 257 V HN 0.774 nan 8.190 nan 0.000 0.450 258 Y N -5.877 114.396 120.300 -0.044 0.000 2.690 258 Y HA 0.249 4.799 4.550 0.000 0.000 0.306 258 Y C 1.204 177.168 175.900 0.107 0.000 0.927 258 Y CA -0.534 57.582 58.100 0.026 0.000 1.039 258 Y CB -0.555 37.922 38.460 0.028 0.000 1.437 258 Y HN 0.012 nan 8.280 nan 0.000 0.585 259 F N 2.889 122.299 119.950 -0.900 0.000 2.163 259 F HA 0.477 5.004 4.527 0.000 0.000 0.297 259 F C 1.628 177.361 175.800 -0.113 0.000 1.094 259 F CA 0.821 58.510 58.000 -0.519 0.000 1.290 259 F CB -0.365 38.338 39.000 -0.495 0.000 1.017 259 F HN 0.183 nan 8.300 nan 0.000 0.483 260 A N 0.448 123.250 122.820 -0.030 0.000 2.257 260 A HA 0.444 4.764 4.320 0.000 0.000 0.289 260 A C 0.213 177.720 177.584 -0.128 0.000 1.095 260 A CA -0.584 51.452 52.037 -0.003 0.000 0.836 260 A CB 0.250 19.229 19.000 -0.035 0.000 1.111 260 A HN 0.276 nan 8.150 nan 0.000 0.497 261 R N 0.608 120.980 120.500 -0.212 0.000 2.490 261 R HA 0.221 4.562 4.340 0.000 0.000 0.280 261 R C -1.521 174.677 176.300 -0.169 0.000 1.077 261 R CA -1.445 54.456 56.100 -0.332 0.000 1.065 261 R CB 0.684 30.725 30.300 -0.431 0.000 1.003 261 R HN 0.555 nan 8.270 nan 0.000 0.470 262 P HA -0.162 nan 4.420 nan 0.000 0.220 262 P C -0.014 177.204 177.300 -0.138 0.000 1.148 262 P CA 1.271 64.321 63.100 -0.084 0.000 0.803 262 P CB 0.158 31.830 31.700 -0.047 0.000 0.782 263 D N -1.095 119.212 120.400 -0.156 0.000 2.336 263 D HA 0.025 4.665 4.640 0.000 0.000 0.229 263 D C 0.335 176.557 176.300 -0.128 0.000 1.061 263 D CA 0.103 54.020 54.000 -0.137 0.000 0.875 263 D CB -0.513 40.244 40.800 -0.072 0.000 0.904 263 D HN 0.022 nan 8.370 nan 0.000 0.525 264 S N -0.328 115.272 115.700 -0.166 0.000 2.616 264 S HA 0.492 4.962 4.470 0.000 0.000 0.277 264 S C -0.551 173.874 174.600 -0.292 0.000 1.234 264 S CA -0.581 57.571 58.200 -0.080 0.000 1.028 264 S CB 0.640 63.835 63.200 -0.010 0.000 0.988 264 S HN 0.061 nan 8.310 nan 0.000 0.522 265 F N 1.850 121.781 119.950 -0.033 0.000 2.403 265 F HA 0.523 5.050 4.527 0.000 0.000 0.355 265 F C -0.131 175.702 175.800 0.055 0.000 1.119 265 F CA -0.534 57.448 58.000 -0.030 0.000 1.007 265 F CB 0.742 39.608 39.000 -0.224 0.000 1.194 265 F HN 0.283 nan 8.300 nan 0.000 0.443 266 I N 3.788 124.514 120.570 0.260 0.000 2.389 266 I HA 0.253 4.423 4.170 0.000 0.000 0.288 266 I C -0.519 175.808 176.117 0.349 0.000 0.999 266 I CA -0.671 60.790 61.300 0.269 0.000 1.129 266 I CB 1.368 39.443 38.000 0.125 0.000 1.288 266 I HN 0.515 nan 8.210 nan 0.000 0.444 267 D N 6.065 126.643 120.400 0.297 0.000 2.689 267 D HA -0.207 4.433 4.640 0.000 0.000 0.237 267 D C 0.526 176.969 176.300 0.239 0.000 1.148 267 D CA 0.919 55.071 54.000 0.254 0.000 0.656 267 D CB -0.611 40.330 40.800 0.236 0.000 1.050 267 D HN 0.800 nan 8.370 nan 0.000 0.426 268 K N -2.222 118.334 120.400 0.261 0.000 3.472 268 K HA -0.227 4.093 4.320 0.000 0.000 0.315 268 K C 0.368 177.109 176.600 0.235 0.000 1.320 268 K CA 1.076 57.500 56.287 0.229 0.000 0.962 268 K CB -1.168 31.429 32.500 0.162 0.000 1.251 268 K HN 0.473 nan 8.250 nan 0.000 0.443 269 I N 1.292 122.006 120.570 0.240 0.000 2.339 269 I HA 0.092 4.262 4.170 0.000 0.000 0.290 269 I C 0.615 176.781 176.117 0.081 0.000 0.994 269 I CA -0.654 60.730 61.300 0.141 0.000 1.191 269 I CB 1.775 39.786 38.000 0.019 0.000 1.343 269 I HN 0.025 nan 8.210 nan 0.000 0.458 270 S N 4.694 120.351 115.700 -0.071 0.000 2.516 270 S HA 0.126 4.596 4.470 0.000 0.000 0.282 270 S C 1.187 175.662 174.600 -0.208 0.000 1.286 270 S CA -0.605 57.309 58.200 -0.477 0.000 1.066 270 S CB 0.943 63.912 63.200 -0.384 0.000 0.884 270 S HN 0.434 nan 8.310 nan 0.000 0.491 271 V N 6.187 125.996 119.914 -0.176 0.000 2.343 271 V HA -0.129 3.991 4.120 0.000 0.000 0.247 271 V C 1.859 177.954 176.094 0.003 0.000 1.051 271 V CA 2.105 64.414 62.300 0.016 0.000 1.036 271 V CB -1.289 30.526 31.823 -0.012 0.000 0.654 271 V HN 1.000 nan 8.190 nan 0.000 0.451 272 Y N 1.709 121.900 120.300 -0.181 0.000 2.097 272 Y HA -0.267 4.283 4.550 0.000 0.000 0.282 272 Y C 2.757 178.592 175.900 -0.109 0.000 1.152 272 Y CA 1.820 59.839 58.100 -0.136 0.000 1.136 272 Y CB -0.752 37.618 38.460 -0.150 0.000 0.975 272 Y HN 0.214 nan 8.280 nan 0.000 0.498 273 S N 0.562 116.073 115.700 -0.316 0.000 2.370 273 S HA -0.214 4.256 4.470 0.000 0.000 0.226 273 S C 2.300 176.737 174.600 -0.272 0.000 1.033 273 S CA 1.180 59.150 58.200 -0.385 0.000 1.011 273 S CB -0.940 62.136 63.200 -0.207 0.000 0.852 273 S HN 0.662 nan 8.310 nan 0.000 0.457 274 A N 1.907 124.614 122.820 -0.188 0.000 1.908 274 A HA -0.144 4.177 4.320 0.000 0.000 0.218 274 A C 2.166 179.659 177.584 -0.152 0.000 1.181 274 A CA 1.380 53.313 52.037 -0.173 0.000 0.627 274 A CB -0.449 18.449 19.000 -0.170 0.000 0.818 274 A HN 0.440 nan 8.150 nan 0.000 0.445 275 R N -0.860 119.567 120.500 -0.123 0.000 2.090 275 R HA -0.031 4.309 4.340 0.000 0.000 0.228 275 R C 2.010 178.229 176.300 -0.134 0.000 1.110 275 R CA 1.257 57.303 56.100 -0.089 0.000 0.973 275 R CB -0.499 29.792 30.300 -0.016 0.000 0.869 275 R HN 0.391 nan 8.270 nan 0.000 0.440 276 V N 2.076 121.845 119.914 -0.241 0.000 2.343 276 V HA -0.245 3.875 4.120 0.000 0.000 0.247 276 V C 1.630 177.616 176.094 -0.180 0.000 1.051 276 V CA 1.748 63.899 62.300 -0.249 0.000 1.036 276 V CB -0.507 31.073 31.823 -0.406 0.000 0.654 276 V HN 0.337 nan 8.190 nan 0.000 0.451 277 N N -0.151 118.440 118.700 -0.181 0.000 2.223 277 N HA -0.119 4.622 4.740 0.000 0.000 0.185 277 N C 1.751 177.186 175.510 -0.125 0.000 1.016 277 N CA 1.407 54.371 53.050 -0.143 0.000 0.863 277 N CB -0.380 38.021 38.487 -0.143 0.000 0.983 277 N HN 0.443 nan 8.380 nan 0.000 0.429 278 M N -0.054 119.471 119.600 -0.125 0.000 2.159 278 M HA -0.049 4.431 4.480 0.000 0.000 0.263 278 M C 2.156 178.400 176.300 -0.093 0.000 1.063 278 M CA 1.523 56.757 55.300 -0.111 0.000 1.110 278 M CB -0.437 32.103 32.600 -0.099 0.000 1.374 278 M HN 0.182 nan 8.290 nan 0.000 0.411 279 G N -0.452 108.297 108.800 -0.086 0.000 2.402 279 G HA2 -0.164 3.796 3.960 0.000 0.000 0.216 279 G HA3 -0.164 3.796 3.960 0.000 0.000 0.216 279 G C 1.442 176.298 174.900 -0.073 0.000 1.162 279 G CA 1.337 46.396 45.100 -0.069 0.000 0.777 279 G HN 0.366 nan 8.290 nan 0.000 0.539 280 T N 1.320 115.824 114.554 -0.083 0.000 2.684 280 T HA -0.083 4.267 4.350 0.000 0.000 0.267 280 T C 2.407 177.062 174.700 -0.075 0.000 1.036 280 T CA 1.332 63.387 62.100 -0.076 0.000 1.148 280 T CB -0.100 68.719 68.868 -0.081 0.000 0.863 280 T HN 0.126 nan 8.240 nan 0.000 0.436 281 K N 0.899 121.249 120.400 -0.084 0.000 2.026 281 K HA 0.033 4.353 4.320 0.000 0.000 0.208 281 K C 2.249 178.795 176.600 -0.091 0.000 1.048 281 K CA 0.799 57.036 56.287 -0.085 0.000 0.929 281 K CB -0.920 31.524 32.500 -0.093 0.000 0.713 281 K HN 0.225 nan 8.250 nan 0.000 0.439 282 L N 0.977 122.143 121.223 -0.095 0.000 2.093 282 L HA -0.009 4.331 4.340 0.000 0.000 0.208 282 L C 2.109 178.911 176.870 -0.113 0.000 1.085 282 L CA 1.948 56.721 54.840 -0.111 0.000 0.755 282 L CB -1.057 40.939 42.059 -0.105 0.000 0.904 282 L HN 0.224 nan 8.230 nan 0.000 0.435 283 G N -1.183 107.567 108.800 -0.083 0.000 2.402 283 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 283 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 283 G C 1.448 176.307 174.900 -0.068 0.000 1.162 283 G CA 0.708 45.769 45.100 -0.066 0.000 0.777 283 G HN 0.509 nan 8.290 nan 0.000 0.539 284 E N 0.036 120.195 120.200 -0.068 0.000 2.106 284 E HA -0.087 4.263 4.350 0.000 0.000 0.192 284 E C 2.325 178.880 176.600 -0.075 0.000 0.984 284 E CA 0.896 57.260 56.400 -0.060 0.000 0.806 284 E CB -0.064 29.603 29.700 -0.055 0.000 0.750 284 E HN 0.452 nan 8.360 nan 0.000 0.458 285 K N 1.101 121.440 120.400 -0.101 0.000 2.057 285 K HA -0.146 4.174 4.320 0.000 0.000 0.207 285 K C 2.057 178.553 176.600 -0.174 0.000 1.049 285 K CA 1.050 57.260 56.287 -0.128 0.000 0.931 285 K CB -0.037 32.374 32.500 -0.148 0.000 0.714 285 K HN 0.067 nan 8.250 nan 0.000 0.440 286 I N 1.087 121.536 120.570 -0.201 0.000 2.226 286 I HA -0.241 3.929 4.170 0.000 0.000 0.245 286 I C 2.504 178.581 176.117 -0.067 0.000 1.100 286 I CA 1.135 62.295 61.300 -0.233 0.000 1.374 286 I CB -0.351 37.538 38.000 -0.185 0.000 1.057 286 I HN 0.247 nan 8.210 nan 0.000 0.413 287 A N 0.710 123.505 122.820 -0.041 0.000 1.940 287 A HA -0.246 4.074 4.320 0.000 0.000 0.219 287 A C 2.485 180.070 177.584 0.002 0.000 1.176 287 A CA 1.700 53.734 52.037 -0.005 0.000 0.631 287 A CB -0.606 18.385 19.000 -0.014 0.000 0.814 287 A HN 0.351 nan 8.150 nan 0.000 0.446 288 R N -0.229 120.259 120.500 -0.021 0.000 2.057 288 R HA -0.093 4.247 4.340 0.000 0.000 0.229 288 R C 1.887 178.193 176.300 0.011 0.000 1.136 288 R CA 1.729 57.822 56.100 -0.011 0.000 0.952 288 R CB -0.282 30.001 30.300 -0.028 0.000 0.848 288 R HN 0.661 nan 8.270 nan 0.000 0.430 289 E N -1.225 118.967 120.200 -0.014 0.000 2.230 289 E HA -0.119 4.231 4.350 0.000 0.000 0.192 289 E C 0.471 177.215 176.600 0.241 0.000 0.987 289 E CA 0.474 56.895 56.400 0.035 0.000 0.841 289 E CB 0.183 29.835 29.700 -0.080 0.000 0.783 289 E HN 0.392 nan 8.360 nan 0.000 0.481 290 W N 1.586 122.855 121.300 -0.051 0.000 2.764 290 W HA 0.218 4.878 4.660 0.000 0.000 0.427 290 W C 1.273 177.740 176.519 -0.086 0.000 0.896 290 W CA -1.090 56.204 57.345 -0.086 0.000 2.307 290 W CB -0.224 29.153 29.460 -0.139 0.000 1.192 290 W HN 0.150 nan 8.180 nan 0.000 0.731 291 E N 0.542 120.823 120.200 0.136 0.000 2.130 291 E HA -0.230 4.120 4.350 0.000 0.000 0.196 291 E C 0.832 177.447 176.600 0.026 0.000 0.998 291 E CA 1.942 58.379 56.400 0.061 0.000 0.806 291 E CB 0.256 29.983 29.700 0.044 0.000 0.738 291 E HN -0.052 nan 8.360 nan 0.000 0.459 292 D N -0.036 120.373 120.400 0.016 0.000 2.363 292 D HA 0.068 4.709 4.640 0.000 0.000 0.226 292 D C -0.005 176.260 176.300 -0.058 0.000 1.020 292 D CA 0.378 54.368 54.000 -0.016 0.000 0.892 292 D CB 0.084 40.876 40.800 -0.013 0.000 0.900 292 D HN 0.208 nan 8.370 nan 0.000 0.531 293 L N 0.853 122.015 121.223 -0.102 0.000 2.334 293 L HA 0.271 4.611 4.340 0.000 0.000 0.277 293 L C 0.207 176.998 176.870 -0.131 0.000 1.075 293 L CA -0.569 54.155 54.840 -0.193 0.000 0.804 293 L CB 1.240 43.017 42.059 -0.470 0.000 1.174 293 L HN -0.284 nan 8.230 nan 0.000 0.438 294 D N 4.154 124.496 120.400 -0.097 0.000 2.373 294 D HA 0.443 5.083 4.640 0.000 0.000 0.227 294 D C -0.408 175.876 176.300 -0.027 0.000 1.091 294 D CA 0.066 54.041 54.000 -0.042 0.000 0.840 294 D CB 1.818 42.611 40.800 -0.012 0.000 1.060 294 D HN 0.249 nan 8.370 nan 0.000 0.502 295 I N 2.167 122.720 120.570 -0.029 0.000 2.406 295 I HA 0.104 4.274 4.170 0.000 0.000 0.290 295 I C 0.947 177.075 176.117 0.019 0.000 0.999 295 I CA -0.530 60.776 61.300 0.010 0.000 1.124 295 I CB 2.077 40.070 38.000 -0.013 0.000 1.289 295 I HN 0.122 nan 8.210 nan 0.000 0.441 296 D N 4.265 124.681 120.400 0.027 0.000 2.271 296 D HA 0.089 4.729 4.640 0.000 0.000 0.206 296 D C 0.218 176.512 176.300 -0.011 0.000 0.967 296 D CA 1.077 55.079 54.000 0.004 0.000 0.867 296 D CB 1.163 41.960 40.800 -0.005 0.000 0.960 296 D HN 0.226 nan 8.370 nan 0.000 0.509 297 V N 0.093 120.001 119.914 -0.010 0.000 3.204 297 V HA 0.312 4.433 4.120 0.000 0.000 0.298 297 V C -1.760 174.325 176.094 -0.016 0.000 1.328 297 V CA -0.763 61.514 62.300 -0.037 0.000 1.035 297 V CB 2.562 34.317 31.823 -0.114 0.000 1.095 297 V HN -0.254 nan 8.190 nan 0.000 0.442 298 V N 6.178 126.084 119.914 -0.013 0.000 2.384 298 V HA 0.594 4.714 4.120 0.000 0.000 0.287 298 V C -0.277 175.767 176.094 -0.083 0.000 1.020 298 V CA -0.311 62.003 62.300 0.023 0.000 0.850 298 V CB 1.414 33.297 31.823 0.100 0.000 0.987 298 V HN 0.652 nan 8.190 nan 0.000 0.436 299 I N 7.806 128.339 120.570 -0.062 0.000 2.410 299 I HA 0.413 4.583 4.170 0.000 0.000 0.286 299 I C -2.366 173.775 176.117 0.040 0.000 1.009 299 I CA -1.942 59.282 61.300 -0.128 0.000 1.111 299 I CB 2.937 40.832 38.000 -0.175 0.000 1.262 299 I HN 0.442 nan 8.210 nan 0.000 0.443 300 P HA 0.295 nan 4.420 nan 0.000 0.277 300 P C -0.684 176.732 177.300 0.192 0.000 1.240 300 P CA -0.247 62.928 63.100 0.125 0.000 0.798 300 P CB 1.509 33.303 31.700 0.156 0.000 0.979 301 I N 3.831 124.482 120.570 0.135 0.000 2.306 301 I HA 0.232 4.402 4.170 0.000 0.000 0.288 301 I C -2.030 174.112 176.117 0.041 0.000 1.036 301 I CA -2.696 58.639 61.300 0.058 0.000 1.221 301 I CB 1.123 39.085 38.000 -0.064 0.000 1.385 301 I HN 0.131 nan 8.210 nan 0.000 0.472 302 P HA -0.043 nan 4.420 nan 0.000 0.267 302 P C 0.206 177.517 177.300 0.017 0.000 1.195 302 P CA 0.187 63.319 63.100 0.052 0.000 0.773 302 P CB 0.849 32.586 31.700 0.063 0.000 0.837 303 E N 0.245 120.459 120.200 0.024 0.000 2.364 303 E HA -0.008 4.343 4.350 0.000 0.000 0.203 303 E C 1.646 178.275 176.600 0.048 0.000 0.888 303 E CA 0.725 57.146 56.400 0.036 0.000 0.989 303 E CB -0.434 29.276 29.700 0.016 0.000 0.985 303 E HN 0.377 nan 8.360 nan 0.000 0.499 304 T N 1.209 115.796 114.554 0.055 0.000 2.803 304 T HA -0.082 4.268 4.350 0.000 0.000 0.269 304 T C 1.841 176.585 174.700 0.074 0.000 1.052 304 T CA 1.348 63.491 62.100 0.071 0.000 1.136 304 T CB -0.049 68.890 68.868 0.119 0.000 0.864 304 T HN -0.013 nan 8.240 nan 0.000 0.467 305 S N 0.212 115.956 115.700 0.072 0.000 2.561 305 S HA -0.018 4.452 4.470 0.000 0.000 0.225 305 S C 2.267 176.940 174.600 0.122 0.000 0.977 305 S CA -0.008 58.241 58.200 0.082 0.000 0.926 305 S CB -0.509 62.734 63.200 0.072 0.000 0.769 305 S HN 0.602 nan 8.310 nan 0.000 0.533 306 C N 2.281 121.664 119.300 0.139 0.000 2.393 306 C HA -0.138 4.322 4.460 0.000 0.000 0.276 306 C C 2.400 177.483 174.990 0.155 0.000 1.215 306 C CA 0.622 59.768 59.018 0.213 0.000 1.743 306 C CB -1.048 26.804 27.740 0.187 0.000 2.044 306 C HN 0.607 nan 8.230 nan 0.000 0.464 307 D N 0.428 120.885 120.400 0.094 0.000 2.183 307 D HA -0.021 4.619 4.640 0.000 0.000 0.203 307 D C 1.945 178.255 176.300 0.017 0.000 0.969 307 D CA 1.000 55.033 54.000 0.056 0.000 0.842 307 D CB -0.243 40.666 40.800 0.182 0.000 0.957 307 D HN 0.527 nan 8.370 nan 0.000 0.484 308 I N 1.560 122.153 120.570 0.038 0.000 2.252 308 I HA -0.217 3.953 4.170 0.000 0.000 0.245 308 I C 2.634 178.768 176.117 0.030 0.000 1.102 308 I CA 0.881 62.188 61.300 0.011 0.000 1.385 308 I CB -0.209 37.801 38.000 0.016 0.000 1.064 308 I HN -0.093 nan 8.210 nan 0.000 0.414 309 A N 0.627 123.507 122.820 0.098 0.000 1.969 309 A HA -0.169 4.151 4.320 0.000 0.000 0.218 309 A C 2.233 179.919 177.584 0.170 0.000 1.169 309 A CA 1.184 53.322 52.037 0.170 0.000 0.635 309 A CB -0.650 18.518 19.000 0.280 0.000 0.810 309 A HN 0.373 nan 8.150 nan 0.000 0.445 310 L N 0.073 121.296 121.223 0.001 0.000 2.017 310 L HA -0.151 4.189 4.340 0.000 0.000 0.208 310 L C 2.274 179.071 176.870 -0.121 0.000 1.073 310 L CA 2.822 57.477 54.840 -0.307 0.000 0.745 310 L CB -0.609 41.127 42.059 -0.538 0.000 0.894 310 L HN 0.468 nan 8.230 nan 0.000 0.432 311 E N -0.072 120.079 120.200 -0.083 0.000 2.077 311 E HA -0.205 4.145 4.350 0.000 0.000 0.193 311 E C 2.088 178.665 176.600 -0.038 0.000 0.989 311 E CA 1.849 58.209 56.400 -0.068 0.000 0.800 311 E CB -0.428 29.224 29.700 -0.080 0.000 0.746 311 E HN 0.629 nan 8.360 nan 0.000 0.452 312 I N 0.340 120.903 120.570 -0.013 0.000 2.226 312 I HA -0.270 3.900 4.170 0.000 0.000 0.245 312 I C 2.355 178.483 176.117 0.020 0.000 1.100 312 I CA 1.061 62.361 61.300 0.000 0.000 1.374 312 I CB -0.424 37.587 38.000 0.017 0.000 1.057 312 I HN 0.216 nan 8.210 nan 0.000 0.413 313 A N 0.661 123.512 122.820 0.051 0.000 1.902 313 A HA -0.243 4.077 4.320 0.000 0.000 0.217 313 A C 2.443 180.041 177.584 0.024 0.000 1.181 313 A CA 1.654 53.731 52.037 0.067 0.000 0.623 313 A CB -0.628 18.457 19.000 0.143 0.000 0.818 313 A HN 0.341 nan 8.150 nan 0.000 0.443 314 R N -0.390 120.107 120.500 -0.005 0.000 2.073 314 R HA -0.119 4.221 4.340 0.000 0.000 0.234 314 R C 1.831 178.122 176.300 -0.015 0.000 1.134 314 R CA 1.779 57.868 56.100 -0.019 0.000 0.952 314 R CB -0.308 29.968 30.300 -0.040 0.000 0.850 314 R HN 0.435 nan 8.270 nan 0.000 0.433 315 I N 1.197 121.755 120.570 -0.019 0.000 2.361 315 I HA -0.237 3.933 4.170 0.000 0.000 0.251 315 I C 2.058 178.168 176.117 -0.011 0.000 1.133 315 I CA 1.293 62.580 61.300 -0.020 0.000 1.413 315 I CB -0.722 37.261 38.000 -0.030 0.000 1.073 315 I HN 0.314 nan 8.210 nan 0.000 0.424 316 L N 0.148 121.371 121.223 -0.001 0.000 2.558 316 L HA 0.173 4.513 4.340 0.000 0.000 0.225 316 L C 1.289 178.164 176.870 0.008 0.000 1.128 316 L CA 0.467 55.311 54.840 0.007 0.000 0.868 316 L CB -0.495 41.576 42.059 0.019 0.000 1.006 316 L HN 0.436 nan 8.230 nan 0.000 0.454 317 G N 1.374 110.178 108.800 0.007 0.000 2.314 317 G HA2 -0.233 3.727 3.960 0.000 0.000 0.292 317 G HA3 -0.233 3.727 3.960 0.000 0.000 0.292 317 G C -0.042 174.866 174.900 0.013 0.000 1.059 317 G CA 0.172 45.276 45.100 0.007 0.000 0.982 317 G HN 0.201 nan 8.290 nan 0.000 0.505 318 K N -0.020 120.394 120.400 0.023 0.000 2.385 318 K HA 0.563 4.884 4.320 0.000 0.000 0.248 318 K C -2.396 174.230 176.600 0.043 0.000 0.955 318 K CA -1.993 54.310 56.287 0.027 0.000 0.816 318 K CB 2.531 35.049 32.500 0.030 0.000 1.250 318 K HN 0.083 nan 8.250 nan 0.000 0.434 319 P HA 0.066 nan 4.420 nan 0.000 0.271 319 P C -0.990 176.361 177.300 0.084 0.000 1.218 319 P CA -0.115 63.015 63.100 0.050 0.000 0.780 319 P CB 0.335 32.042 31.700 0.013 0.000 0.901 320 Y N 3.362 123.645 120.300 -0.028 0.000 2.341 320 Y HA 0.504 5.054 4.550 0.000 0.000 0.337 320 Y C -0.306 175.567 175.900 -0.045 0.000 1.014 320 Y CA -0.615 57.468 58.100 -0.028 0.000 1.111 320 Y CB 1.153 39.605 38.460 -0.013 0.000 1.194 320 Y HN 0.218 nan 8.280 nan 0.000 0.462 321 R N 4.681 124.872 120.500 -0.514 0.000 2.673 321 R HA 0.168 4.508 4.340 0.000 0.000 0.281 321 R C -1.385 174.585 176.300 -0.550 0.000 0.991 321 R CA -1.005 54.843 56.100 -0.419 0.000 0.896 321 R CB 1.962 32.088 30.300 -0.291 0.000 1.201 321 R HN 0.853 nan 8.270 nan 0.000 0.457 322 Q N 1.344 120.927 119.800 -0.362 0.000 2.431 322 Q HA 0.180 4.520 4.340 0.000 0.000 0.234 322 Q C 0.430 176.285 176.000 -0.241 0.000 1.203 322 Q CA 0.109 55.764 55.803 -0.247 0.000 0.902 322 Q CB 0.396 29.076 28.738 -0.096 0.000 1.455 322 Q HN 0.872 nan 8.270 nan 0.000 0.515 323 G N 3.427 112.029 108.800 -0.330 0.000 2.539 323 G HA2 0.014 3.974 3.960 0.000 0.000 0.215 323 G HA3 0.014 3.974 3.960 0.000 0.000 0.215 323 G C -0.145 174.596 174.900 -0.265 0.000 1.141 323 G CA 0.047 44.841 45.100 -0.510 0.000 0.806 323 G HN 0.489 nan 8.290 nan 0.000 0.533 324 F N -0.261 119.762 119.950 0.122 0.000 2.532 324 F HA 0.641 5.168 4.527 0.000 0.000 0.321 324 F C -0.391 175.443 175.800 0.056 0.000 1.089 324 F CA -1.254 56.820 58.000 0.123 0.000 0.926 324 F CB 2.562 41.629 39.000 0.111 0.000 1.168 324 F HN -0.260 nan 8.300 nan 0.000 0.459 325 V N 2.713 122.782 119.914 0.257 0.000 2.540 325 V HA 0.360 4.480 4.120 0.000 0.000 0.302 325 V C -0.314 175.854 176.094 0.123 0.000 1.035 325 V CA -1.283 61.104 62.300 0.146 0.000 0.873 325 V CB 1.841 33.724 31.823 0.101 0.000 0.992 325 V HN 0.644 nan 8.190 nan 0.000 0.428 326 K N 3.745 124.192 120.400 0.078 0.000 2.276 326 K HA 0.254 4.574 4.320 0.000 0.000 0.283 326 K C 0.018 176.635 176.600 0.028 0.000 1.044 326 K CA -0.492 55.819 56.287 0.039 0.000 0.944 326 K CB 0.461 32.969 32.500 0.013 0.000 1.012 326 K HN 0.637 nan 8.250 nan 0.000 0.472 327 N N 4.253 122.970 118.700 0.028 0.000 2.406 327 N HA -0.036 4.704 4.740 0.000 0.000 0.265 327 N C 0.740 176.244 175.510 -0.010 0.000 1.203 327 N CA 0.227 53.300 53.050 0.039 0.000 0.945 327 N CB 0.973 39.493 38.487 0.056 0.000 1.165 327 N HN 0.630 nan 8.380 nan 0.000 0.485 328 R N 2.611 123.070 120.500 -0.068 0.000 2.127 328 R HA -0.128 4.212 4.340 0.000 0.000 0.238 328 R C -0.371 175.691 176.300 -0.397 0.000 1.134 328 R CA 1.403 57.330 56.100 -0.288 0.000 0.975 328 R CB 0.137 30.148 30.300 -0.481 0.000 0.865 328 R HN 0.474 nan 8.270 nan 0.000 0.447 329 Y N 0.009 120.317 120.300 0.014 0.000 2.364 329 Y HA 0.382 4.932 4.550 0.000 0.000 0.340 329 Y C -0.350 175.554 175.900 0.008 0.000 0.975 329 Y CA -1.190 56.917 58.100 0.012 0.000 1.089 329 Y CB 2.102 40.572 38.460 0.017 0.000 1.192 329 Y HN -0.178 nan 8.280 nan 0.000 0.454 330 V N 0.037 120.031 119.914 0.134 0.000 2.735 330 V HA 1.060 5.180 4.120 0.000 0.000 0.310 330 V C -0.071 176.058 176.094 0.059 0.000 1.061 330 V CA -0.609 61.733 62.300 0.070 0.000 0.913 330 V CB 1.351 33.186 31.823 0.020 0.000 1.005 330 V HN 0.874 nan 8.190 nan 0.000 0.428 331 G N 3.115 111.936 108.800 0.035 0.000 2.938 331 G HA2 0.695 4.655 3.960 0.000 0.000 0.258 331 G HA3 0.695 4.655 3.960 0.000 0.000 0.258 331 G C -0.660 174.194 174.900 -0.077 0.000 1.356 331 G CA -1.248 43.858 45.100 0.011 0.000 1.052 331 G HN 0.824 nan 8.290 nan 0.000 0.550 332 R N -0.960 119.427 120.500 -0.189 0.000 2.500 332 R HA 0.536 4.876 4.340 0.000 0.000 0.275 332 R C -0.493 175.530 176.300 -0.461 0.000 1.051 332 R CA -0.135 55.706 56.100 -0.431 0.000 1.088 332 R CB 1.176 30.992 30.300 -0.806 0.000 1.063 332 R HN 0.340 nan 8.270 nan 0.000 0.511 333 T N 3.404 117.732 114.554 -0.376 0.000 2.801 333 T HA 0.340 4.690 4.350 0.000 0.000 0.306 333 T C -0.682 173.872 174.700 -0.244 0.000 1.020 333 T CA -0.422 61.564 62.100 -0.190 0.000 0.948 333 T CB -0.016 68.803 68.868 -0.082 0.000 0.962 333 T HN 0.203 nan 8.240 nan 0.000 0.465 334 F N 3.521 123.471 119.950 -0.000 0.000 2.443 334 F HA 0.348 4.875 4.527 0.000 0.000 0.353 334 F C 1.311 177.110 175.800 -0.002 0.000 1.101 334 F CA -1.419 56.581 58.000 -0.001 0.000 1.226 334 F CB 0.288 39.288 39.000 -0.001 0.000 1.140 334 F HN 0.447 nan 8.300 nan 0.000 0.557 335 I N 3.007 123.665 120.570 0.148 0.000 2.329 335 I HA 0.233 4.403 4.170 0.000 0.000 0.295 335 I C -0.626 175.547 176.117 0.093 0.000 1.109 335 I CA -0.055 61.297 61.300 0.086 0.000 1.297 335 I CB -0.151 37.877 38.000 0.047 0.000 1.433 335 I HN 0.379 nan 8.210 nan 0.000 0.509 336 M N 6.898 126.546 119.600 0.080 0.000 2.436 336 M HA 0.461 4.941 4.480 0.000 0.000 0.331 336 M C -2.464 173.856 176.300 0.033 0.000 1.135 336 M CA -1.949 53.384 55.300 0.055 0.000 0.987 336 M CB 1.192 33.823 32.600 0.052 0.000 1.687 336 M HN 0.186 nan 8.290 nan 0.000 0.445 337 P HA 0.077 nan 4.420 nan 0.000 0.253 337 P C 0.502 177.810 177.300 0.013 0.000 1.170 337 P CA 1.059 64.168 63.100 0.015 0.000 0.806 337 P CB -0.164 31.542 31.700 0.009 0.000 0.775 338 G N 3.274 112.081 108.800 0.013 0.000 2.370 338 G HA2 -0.296 3.664 3.960 0.000 0.000 0.295 338 G HA3 -0.296 3.664 3.960 0.000 0.000 0.295 338 G C -0.010 174.898 174.900 0.013 0.000 1.045 338 G CA -0.518 44.589 45.100 0.011 0.000 1.199 338 G HN 0.569 nan 8.290 nan 0.000 0.513 339 Q N 0.721 120.531 119.800 0.018 0.000 2.684 339 Q HA 0.090 4.430 4.340 0.000 0.000 0.233 339 Q C 1.991 178.001 176.000 0.016 0.000 1.352 339 Q CA -0.101 55.715 55.803 0.022 0.000 0.872 339 Q CB 0.266 29.021 28.738 0.029 0.000 1.674 339 Q HN 0.645 nan 8.270 nan 0.000 0.558 340 Q N 0.451 120.258 119.800 0.013 0.000 1.954 340 Q HA -0.240 4.100 4.340 0.000 0.000 0.222 340 Q C 0.529 176.534 176.000 0.009 0.000 1.053 340 Q CA 1.466 57.275 55.803 0.009 0.000 0.900 340 Q CB -0.285 28.458 28.738 0.008 0.000 1.021 340 Q HN 0.447 nan 8.270 nan 0.000 0.423 341 L N 1.228 122.457 121.223 0.010 0.000 2.457 341 L HA 0.282 4.622 4.340 0.000 0.000 0.252 341 L C -0.633 176.244 176.870 0.011 0.000 1.132 341 L CA -0.130 54.715 54.840 0.008 0.000 0.938 341 L CB 0.684 42.747 42.059 0.006 0.000 1.246 341 L HN 0.079 nan 8.230 nan 0.000 0.476 342 R N 2.040 122.547 120.500 0.011 0.000 2.638 342 R HA 0.104 4.444 4.340 0.000 0.000 0.268 342 R C 0.251 176.557 176.300 0.009 0.000 1.006 342 R CA 0.042 56.149 56.100 0.012 0.000 1.088 342 R CB 0.409 30.714 30.300 0.008 0.000 0.950 342 R HN 0.506 nan 8.270 nan 0.000 0.419 343 R N 2.925 123.432 120.500 0.012 0.000 2.389 343 R HA 0.033 4.373 4.340 0.000 0.000 0.295 343 R C -0.446 175.856 176.300 0.003 0.000 1.075 343 R CA -0.286 55.819 56.100 0.010 0.000 1.005 343 R CB 0.632 30.942 30.300 0.016 0.000 0.987 343 R HN 0.434 nan 8.270 nan 0.000 0.452 344 K N 2.404 122.803 120.400 -0.001 0.000 2.484 344 K HA -0.092 4.228 4.320 0.000 0.000 0.280 344 K C 1.209 177.803 176.600 -0.011 0.000 1.013 344 K CA 0.235 56.517 56.287 -0.008 0.000 1.029 344 K CB 0.997 33.490 32.500 -0.011 0.000 0.902 344 K HN 0.704 nan 8.250 nan 0.000 0.481 345 S N 2.973 118.663 115.700 -0.016 0.000 2.381 345 S HA -0.189 4.281 4.470 0.000 0.000 0.230 345 S C 1.838 176.422 174.600 -0.027 0.000 1.052 345 S CA 1.949 60.136 58.200 -0.021 0.000 1.068 345 S CB -0.073 63.113 63.200 -0.023 0.000 0.918 345 S HN 0.525 nan 8.310 nan 0.000 0.448 346 V N 1.667 121.561 119.914 -0.033 0.000 2.407 346 V HA -0.098 4.022 4.120 0.000 0.000 0.248 346 V C 2.550 178.624 176.094 -0.034 0.000 1.055 346 V CA 2.257 64.529 62.300 -0.047 0.000 1.049 346 V CB -0.616 31.170 31.823 -0.061 0.000 0.662 346 V HN 0.524 nan 8.190 nan 0.000 0.455 347 R N -0.654 119.837 120.500 -0.015 0.000 2.189 347 R HA -0.076 4.264 4.340 0.000 0.000 0.218 347 R C 2.442 178.748 176.300 0.009 0.000 1.074 347 R CA 1.136 57.238 56.100 0.003 0.000 0.991 347 R CB -0.344 29.962 30.300 0.009 0.000 0.883 347 R HN 0.485 nan 8.270 nan 0.000 0.457 348 R N 1.014 121.514 120.500 0.000 0.000 2.092 348 R HA -0.098 4.242 4.340 0.000 0.000 0.231 348 R C 1.299 177.602 176.300 0.004 0.000 1.119 348 R CA 1.232 57.335 56.100 0.005 0.000 0.970 348 R CB 0.224 30.521 30.300 -0.006 0.000 0.864 348 R HN -0.035 nan 8.270 nan 0.000 0.440 349 K N 0.016 120.409 120.400 -0.011 0.000 2.067 349 K HA 0.118 4.438 4.320 0.000 0.000 0.203 349 K C 0.943 177.537 176.600 -0.010 0.000 1.048 349 K CA 0.867 57.143 56.287 -0.019 0.000 0.954 349 K CB 0.045 32.518 32.500 -0.044 0.000 0.737 349 K HN 0.173 nan 8.250 nan 0.000 0.444 350 L N -0.162 121.055 121.223 -0.009 0.000 2.283 350 L HA 0.397 4.738 4.340 0.000 0.000 0.259 350 L C -0.789 176.128 176.870 0.079 0.000 1.027 350 L CA -1.132 53.725 54.840 0.028 0.000 0.828 350 L CB 1.851 43.886 42.059 -0.040 0.000 1.380 350 L HN -0.076 nan 8.230 nan 0.000 0.425 351 N N 0.035 118.826 118.700 0.152 0.000 2.260 351 N HA 0.664 5.404 4.740 0.000 0.000 0.293 351 N C -1.356 174.299 175.510 0.242 0.000 1.058 351 N CA -0.298 52.844 53.050 0.154 0.000 0.824 351 N CB 2.216 40.764 38.487 0.102 0.000 1.551 351 N HN 0.731 nan 8.380 nan 0.000 0.475 352 A N 2.492 125.423 122.820 0.186 0.000 2.301 352 A HA 0.377 4.697 4.320 0.000 0.000 0.312 352 A C -0.309 177.330 177.584 0.093 0.000 1.182 352 A CA -0.634 51.471 52.037 0.114 0.000 0.826 352 A CB 0.291 19.231 19.000 -0.100 0.000 1.134 352 A HN 0.716 nan 8.150 nan 0.000 0.501 353 N N 2.180 120.955 118.700 0.125 0.000 2.439 353 N HA 0.074 4.814 4.740 0.000 0.000 0.243 353 N C 1.041 176.633 175.510 0.137 0.000 1.088 353 N CA -0.108 52.989 53.050 0.078 0.000 0.940 353 N CB 0.343 38.835 38.487 0.008 0.000 1.180 353 N HN 0.689 nan 8.380 nan 0.000 0.505 354 R N 2.568 123.126 120.500 0.098 0.000 2.119 354 R HA -0.213 4.128 4.340 0.000 0.000 0.246 354 R C 1.817 178.182 176.300 0.109 0.000 1.146 354 R CA 2.192 58.357 56.100 0.108 0.000 0.962 354 R CB -0.275 30.052 30.300 0.045 0.000 0.863 354 R HN 0.647 nan 8.270 nan 0.000 0.442 355 A N 1.139 123.982 122.820 0.039 0.000 1.978 355 A HA -0.171 4.149 4.320 0.000 0.000 0.220 355 A C 1.659 179.207 177.584 -0.059 0.000 1.170 355 A CA 1.409 53.443 52.037 -0.005 0.000 0.636 355 A CB -0.215 18.773 19.000 -0.022 0.000 0.810 355 A HN 0.201 nan 8.150 nan 0.000 0.448 356 E N -1.319 118.801 120.200 -0.135 0.000 2.482 356 E HA -0.013 4.338 4.350 0.000 0.000 0.196 356 E C 0.804 177.063 176.600 -0.569 0.000 1.047 356 E CA 0.619 56.794 56.400 -0.376 0.000 0.869 356 E CB -0.196 29.180 29.700 -0.540 0.000 0.836 356 E HN 0.797 nan 8.360 nan 0.000 0.520 357 F N -0.049 119.825 119.950 -0.127 0.000 2.680 357 F HA 0.199 4.726 4.527 0.000 0.000 0.290 357 F C 1.238 176.996 175.800 -0.071 0.000 1.114 357 F CA -0.559 57.375 58.000 -0.111 0.000 1.333 357 F CB 0.219 39.139 39.000 -0.133 0.000 1.091 357 F HN -0.252 nan 8.300 nan 0.000 0.606 358 R N 2.491 123.057 120.500 0.110 0.000 2.501 358 R HA -0.129 4.211 4.340 0.000 0.000 0.319 358 R C -0.374 175.942 176.300 0.027 0.000 0.913 358 R CA 0.725 56.859 56.100 0.056 0.000 1.104 358 R CB -0.493 29.826 30.300 0.032 0.000 0.901 358 R HN 0.280 nan 8.270 nan 0.000 0.407 359 D N 2.512 122.929 120.400 0.028 0.000 2.751 359 D HA -0.191 4.449 4.640 0.000 0.000 0.233 359 D C -0.917 175.390 176.300 0.013 0.000 1.149 359 D CA 1.389 55.398 54.000 0.015 0.000 0.682 359 D CB -0.415 40.388 40.800 0.006 0.000 1.068 359 D HN 0.587 nan 8.370 nan 0.000 0.429 360 K N 0.035 120.448 120.400 0.023 0.000 2.375 360 K HA 0.394 4.714 4.320 0.000 0.000 0.249 360 K C -0.251 176.372 176.600 0.039 0.000 0.942 360 K CA -0.884 55.412 56.287 0.015 0.000 0.806 360 K CB 1.316 33.804 32.500 -0.020 0.000 1.227 360 K HN -0.182 nan 8.250 nan 0.000 0.430 361 N N 1.842 120.573 118.700 0.051 0.000 2.408 361 N HA 0.163 4.903 4.740 0.000 0.000 0.257 361 N C -0.703 174.880 175.510 0.122 0.000 1.064 361 N CA -0.367 52.744 53.050 0.102 0.000 0.952 361 N CB 1.170 39.747 38.487 0.150 0.000 1.093 361 N HN 0.377 nan 8.380 nan 0.000 0.490 362 V N 0.384 120.382 119.914 0.140 0.000 2.630 362 V HA 0.637 4.758 4.120 0.000 0.000 0.305 362 V C -0.332 175.903 176.094 0.236 0.000 1.046 362 V CA -1.083 61.297 62.300 0.133 0.000 0.934 362 V CB 1.735 33.632 31.823 0.122 0.000 1.003 362 V HN 0.377 nan 8.190 nan 0.000 0.451 363 L N 5.418 126.759 121.223 0.197 0.000 2.294 363 L HA 0.631 4.971 4.340 0.000 0.000 0.283 363 L C -0.611 176.374 176.870 0.192 0.000 1.015 363 L CA -0.189 54.801 54.840 0.250 0.000 0.831 363 L CB 0.783 42.966 42.059 0.207 0.000 1.217 363 L HN 0.752 nan 8.230 nan 0.000 0.420 364 L N 5.552 126.906 121.223 0.218 0.000 2.343 364 L HA 0.672 5.012 4.340 0.000 0.000 0.275 364 L C -0.619 176.336 176.870 0.141 0.000 1.056 364 L CA -0.994 53.967 54.840 0.201 0.000 0.804 364 L CB 1.711 43.918 42.059 0.246 0.000 1.203 364 L HN 0.293 nan 8.230 nan 0.000 0.440 365 V N 1.071 121.055 119.914 0.115 0.000 2.483 365 V HA 0.419 4.539 4.120 0.000 0.000 0.297 365 V C -0.802 175.321 176.094 0.048 0.000 1.027 365 V CA -0.516 61.824 62.300 0.067 0.000 0.855 365 V CB 1.884 33.752 31.823 0.075 0.000 0.995 365 V HN 0.661 nan 8.190 nan 0.000 0.424 366 D N 1.729 122.133 120.400 0.007 0.000 2.419 366 D HA 0.332 4.972 4.640 0.000 0.000 0.234 366 D C 0.587 176.879 176.300 -0.014 0.000 1.014 366 D CA -0.429 53.566 54.000 -0.010 0.000 0.919 366 D CB 2.503 43.283 40.800 -0.034 0.000 1.366 366 D HN 0.701 nan 8.370 nan 0.000 0.490 367 D N -0.268 120.123 120.400 -0.015 0.000 2.183 367 D HA -0.015 4.625 4.640 0.000 0.000 0.203 367 D C 0.241 176.544 176.300 0.004 0.000 0.969 367 D CA 0.617 54.616 54.000 -0.002 0.000 0.842 367 D CB 0.130 40.937 40.800 0.013 0.000 0.957 367 D HN 0.242 nan 8.370 nan 0.000 0.484 368 S N -1.395 114.302 115.700 -0.004 0.000 2.636 368 S HA 0.520 4.990 4.470 0.000 0.000 0.266 368 S C -1.483 173.163 174.600 0.077 0.000 1.147 368 S CA -1.197 57.052 58.200 0.083 0.000 0.815 368 S CB 0.893 64.165 63.200 0.119 0.000 1.119 368 S HN 0.120 nan 8.310 nan 0.000 0.470 369 I N 1.551 122.229 120.570 0.181 0.000 2.478 369 I HA 0.470 4.640 4.170 0.000 0.000 0.287 369 I C -0.034 176.191 176.117 0.180 0.000 1.042 369 I CA -0.677 60.720 61.300 0.161 0.000 1.067 369 I CB 2.024 40.159 38.000 0.224 0.000 1.233 369 I HN 0.595 nan 8.210 nan 0.000 0.431 370 V N 5.183 125.162 119.914 0.109 0.000 3.204 370 V HA 0.170 4.290 4.120 0.000 0.000 0.218 370 V C 1.857 177.987 176.094 0.059 0.000 1.159 370 V CA 0.435 62.787 62.300 0.087 0.000 1.282 370 V CB -0.205 31.654 31.823 0.060 0.000 1.225 370 V HN 0.676 nan 8.190 nan 0.000 0.509 371 R N 0.031 120.554 120.500 0.039 0.000 2.140 371 R HA 0.229 4.569 4.340 0.000 0.000 0.213 371 R C 1.712 178.033 176.300 0.035 0.000 1.059 371 R CA 0.926 57.041 56.100 0.026 0.000 1.000 371 R CB 0.067 30.374 30.300 0.011 0.000 0.910 371 R HN 0.729 nan 8.270 nan 0.000 0.455 372 G N -0.120 108.704 108.800 0.040 0.000 2.199 372 G HA2 -0.312 3.648 3.960 0.000 0.000 0.254 372 G HA3 -0.312 3.648 3.960 0.000 0.000 0.254 372 G C 0.965 175.875 174.900 0.017 0.000 0.982 372 G CA 0.783 45.908 45.100 0.041 0.000 0.632 372 G HN 0.335 nan 8.290 nan 0.000 0.529 373 T N 0.970 115.528 114.554 0.007 0.000 2.674 373 T HA -0.074 4.276 4.350 0.000 0.000 0.265 373 T C 2.493 177.181 174.700 -0.019 0.000 1.039 373 T CA 2.318 64.415 62.100 -0.005 0.000 1.150 373 T CB -0.553 68.310 68.868 -0.007 0.000 0.864 373 T HN 0.437 nan 8.240 nan 0.000 0.427 374 T N 2.049 116.587 114.554 -0.026 0.000 2.833 374 T HA -0.069 4.281 4.350 0.000 0.000 0.269 374 T C 2.386 177.049 174.700 -0.061 0.000 1.054 374 T CA 1.191 63.261 62.100 -0.049 0.000 1.135 374 T CB -0.359 68.476 68.868 -0.056 0.000 0.869 374 T HN 0.302 nan 8.240 nan 0.000 0.466 375 S N 1.136 116.811 115.700 -0.041 0.000 2.368 375 S HA -0.126 4.344 4.470 0.000 0.000 0.225 375 S C 2.046 176.626 174.600 -0.033 0.000 1.030 375 S CA 1.096 59.273 58.200 -0.039 0.000 0.999 375 S CB -0.252 62.941 63.200 -0.011 0.000 0.844 375 S HN 0.656 nan 8.310 nan 0.000 0.459 376 E N 1.161 121.348 120.200 -0.022 0.000 2.106 376 E HA -0.197 4.153 4.350 0.000 0.000 0.192 376 E C 2.035 178.616 176.600 -0.032 0.000 0.984 376 E CA 0.960 57.349 56.400 -0.019 0.000 0.806 376 E CB -0.079 29.614 29.700 -0.010 0.000 0.750 376 E HN 0.577 nan 8.360 nan 0.000 0.458 377 Q N 0.140 119.914 119.800 -0.043 0.000 2.119 377 Q HA -0.105 4.235 4.340 0.000 0.000 0.201 377 Q C 2.320 178.277 176.000 -0.072 0.000 0.972 377 Q CA 1.281 57.053 55.803 -0.052 0.000 0.847 377 Q CB -0.008 28.698 28.738 -0.053 0.000 0.903 377 Q HN 0.406 nan 8.270 nan 0.000 0.433 378 I N 0.487 120.994 120.570 -0.105 0.000 2.252 378 I HA -0.272 3.898 4.170 0.000 0.000 0.245 378 I C 2.141 178.234 176.117 -0.040 0.000 1.102 378 I CA 1.053 62.255 61.300 -0.164 0.000 1.385 378 I CB -0.206 37.627 38.000 -0.279 0.000 1.064 378 I HN 0.205 nan 8.210 nan 0.000 0.414 379 I N 0.639 121.196 120.570 -0.022 0.000 2.208 379 I HA -0.327 3.843 4.170 0.000 0.000 0.245 379 I C 2.579 178.683 176.117 -0.020 0.000 1.097 379 I CA 1.582 62.884 61.300 0.004 0.000 1.363 379 I CB -0.327 37.667 38.000 -0.010 0.000 1.051 379 I HN 0.272 nan 8.210 nan 0.000 0.413 380 E N 0.694 120.873 120.200 -0.034 0.000 2.077 380 E HA -0.284 4.066 4.350 0.000 0.000 0.193 380 E C 2.311 178.875 176.600 -0.061 0.000 0.989 380 E CA 1.325 57.699 56.400 -0.044 0.000 0.800 380 E CB -0.065 29.612 29.700 -0.039 0.000 0.746 380 E HN 0.350 nan 8.360 nan 0.000 0.452 381 M N -0.000 119.568 119.600 -0.054 0.000 2.108 381 M HA -0.211 4.270 4.480 0.000 0.000 0.261 381 M C 2.137 178.314 176.300 -0.205 0.000 1.066 381 M CA 1.880 57.140 55.300 -0.067 0.000 1.107 381 M CB -0.050 32.561 32.600 0.018 0.000 1.356 381 M HN 0.212 nan 8.290 nan 0.000 0.406 382 A N 0.515 123.202 122.820 -0.222 0.000 1.898 382 A HA -0.162 4.158 4.320 0.000 0.000 0.216 382 A C 2.069 179.494 177.584 -0.265 0.000 1.181 382 A CA 1.637 53.375 52.037 -0.498 0.000 0.620 382 A CB -0.627 18.292 19.000 -0.136 0.000 0.819 382 A HN 0.577 nan 8.150 nan 0.000 0.442 383 R N -0.645 119.781 120.500 -0.124 0.000 2.096 383 R HA -0.124 4.216 4.340 0.000 0.000 0.235 383 R C 2.163 178.413 176.300 -0.082 0.000 1.127 383 R CA 1.411 57.465 56.100 -0.076 0.000 0.968 383 R CB -0.319 29.947 30.300 -0.058 0.000 0.861 383 R HN 0.706 nan 8.270 nan 0.000 0.440 384 E N 0.625 120.765 120.200 -0.101 0.000 2.153 384 E HA -0.130 4.220 4.350 0.000 0.000 0.194 384 E C 1.487 178.030 176.600 -0.095 0.000 0.988 384 E CA 1.005 57.355 56.400 -0.084 0.000 0.811 384 E CB 0.049 29.700 29.700 -0.082 0.000 0.746 384 E HN 0.351 nan 8.360 nan 0.000 0.466 385 A N -0.446 122.271 122.820 -0.172 0.000 2.235 385 A HA 0.217 4.537 4.320 0.000 0.000 0.208 385 A C 1.492 179.066 177.584 -0.017 0.000 1.172 385 A CA 0.922 52.873 52.037 -0.143 0.000 0.786 385 A CB -0.200 18.571 19.000 -0.383 0.000 0.804 385 A HN 0.398 nan 8.150 nan 0.000 0.479 386 G N -2.306 106.482 108.800 -0.020 0.000 2.163 386 G HA2 0.145 4.105 3.960 0.000 0.000 0.213 386 G HA3 0.145 4.105 3.960 0.000 0.000 0.213 386 G C 0.396 175.325 174.900 0.049 0.000 0.991 386 G CA 0.094 45.207 45.100 0.021 0.000 0.653 386 G HN 1.516 nan 8.290 nan 0.000 0.518 387 A N -0.041 122.818 122.820 0.066 0.000 2.445 387 A HA 0.682 5.002 4.320 0.000 0.000 0.242 387 A C 1.264 178.862 177.584 0.023 0.000 1.075 387 A CA 1.144 53.234 52.037 0.088 0.000 0.777 387 A CB 0.435 19.520 19.000 0.143 0.000 1.013 387 A HN 0.368 nan 8.150 nan 0.000 0.493 388 K N 0.774 121.182 120.400 0.015 0.000 2.102 388 K HA 0.097 4.417 4.320 0.000 0.000 0.208 388 K C -0.043 176.524 176.600 -0.054 0.000 1.027 388 K CA 0.521 56.799 56.287 -0.014 0.000 0.958 388 K CB -0.128 32.369 32.500 -0.004 0.000 0.819 388 K HN 0.482 nan 8.250 nan 0.000 0.453 389 K N 1.850 122.211 120.400 -0.065 0.000 2.159 389 K HA 0.367 4.687 4.320 0.000 0.000 0.266 389 K C -0.769 175.682 176.600 -0.249 0.000 0.975 389 K CA -0.515 55.644 56.287 -0.214 0.000 0.865 389 K CB 2.224 34.609 32.500 -0.192 0.000 1.087 389 K HN -0.118 nan 8.250 nan 0.000 0.446 390 V N 4.408 124.079 119.914 -0.404 0.000 2.409 390 V HA 0.319 4.439 4.120 0.000 0.000 0.290 390 V C -1.150 174.704 176.094 -0.400 0.000 1.017 390 V CA -0.910 61.248 62.300 -0.237 0.000 0.841 390 V CB 0.534 32.306 31.823 -0.085 0.000 1.003 390 V HN 0.551 nan 8.190 nan 0.000 0.426 391 Y N 4.573 124.896 120.300 0.039 0.000 2.457 391 Y HA 0.778 5.328 4.550 0.000 0.000 0.333 391 Y C -0.178 175.817 175.900 0.158 0.000 1.119 391 Y CA -1.045 57.094 58.100 0.064 0.000 1.143 391 Y CB 1.923 40.398 38.460 0.024 0.000 1.230 391 Y HN 0.527 nan 8.280 nan 0.000 0.469 392 L N 2.279 123.713 121.223 0.351 0.000 2.385 392 L HA 0.919 5.259 4.340 0.000 0.000 0.273 392 L C -1.149 175.789 176.870 0.114 0.000 0.990 392 L CA -0.716 54.237 54.840 0.188 0.000 0.821 392 L CB 1.539 43.638 42.059 0.068 0.000 1.279 392 L HN 0.673 nan 8.230 nan 0.000 0.412 393 A N 2.850 125.681 122.820 0.019 0.000 2.343 393 A HA 0.804 5.124 4.320 0.000 0.000 0.316 393 A C -0.769 176.722 177.584 -0.155 0.000 1.104 393 A CA -0.176 51.786 52.037 -0.124 0.000 0.768 393 A CB 1.283 20.224 19.000 -0.099 0.000 1.213 393 A HN 0.845 nan 8.150 nan 0.000 0.456 394 S N 1.547 117.088 115.700 -0.264 0.000 2.449 394 S HA 0.583 5.053 4.470 0.000 0.000 0.310 394 S C 0.827 175.378 174.600 -0.081 0.000 1.096 394 S CA -0.019 58.080 58.200 -0.168 0.000 1.095 394 S CB 1.635 64.706 63.200 -0.216 0.000 1.007 394 S HN 1.640 nan 8.310 nan 0.000 0.474 395 A N 2.572 125.367 122.820 -0.041 0.000 2.070 395 A HA 0.431 4.751 4.320 0.000 0.000 0.220 395 A C 1.214 178.774 177.584 -0.041 0.000 1.159 395 A CA 1.038 53.050 52.037 -0.041 0.000 0.656 395 A CB -0.777 18.208 19.000 -0.025 0.000 0.800 395 A HN 1.375 nan 8.150 nan 0.000 0.453 396 A N -0.412 122.418 122.820 0.017 0.000 2.325 396 A HA 0.685 5.005 4.320 0.000 0.000 0.333 396 A C -2.683 174.963 177.584 0.103 0.000 1.155 396 A CA -1.950 50.093 52.037 0.009 0.000 0.814 396 A CB 0.647 19.742 19.000 0.159 0.000 1.206 396 A HN 0.130 nan 8.150 nan 0.000 0.482 397 P HA 0.173 nan 4.420 nan 0.000 0.274 397 P C -0.598 176.808 177.300 0.176 0.000 1.264 397 P CA -0.185 62.891 63.100 -0.040 0.000 0.795 397 P CB 0.299 31.786 31.700 -0.356 0.000 1.064 398 E N -0.026 120.087 120.200 -0.144 0.000 2.465 398 E HA 0.041 4.391 4.350 0.000 0.000 0.260 398 E C -0.280 176.435 176.600 0.192 0.000 0.980 398 E CA 0.664 56.892 56.400 -0.288 0.000 0.927 398 E CB -0.487 28.879 29.700 -0.555 0.000 0.934 398 E HN 0.242 nan 8.360 nan 0.000 0.459 399 I N 4.309 125.008 120.570 0.214 0.000 2.291 399 I HA 0.163 4.333 4.170 0.000 0.000 0.290 399 I C 1.126 177.264 176.117 0.035 0.000 1.050 399 I CA -0.045 61.376 61.300 0.202 0.000 1.245 399 I CB 0.525 38.657 38.000 0.221 0.000 1.405 399 I HN 0.447 nan 8.210 nan 0.000 0.478 400 R N 4.214 124.698 120.500 -0.026 0.000 2.419 400 R HA 0.304 4.644 4.340 0.000 0.000 0.235 400 R C -0.616 175.333 176.300 -0.585 0.000 0.899 400 R CA 0.160 56.083 56.100 -0.296 0.000 1.048 400 R CB 0.656 30.675 30.300 -0.469 0.000 1.182 400 R HN 0.336 nan 8.270 nan 0.000 0.544 401 F N 1.304 121.259 119.950 0.007 0.000 2.588 401 F HA 0.443 4.970 4.527 0.000 0.000 0.314 401 F C -2.165 173.598 175.800 -0.062 0.000 1.069 401 F CA -2.970 55.033 58.000 0.005 0.000 0.931 401 F CB 1.575 40.593 39.000 0.030 0.000 1.260 401 F HN -0.241 nan 8.300 nan 0.000 0.465 402 P HA 0.041 nan 4.420 nan 0.000 0.274 402 P C -1.156 176.162 177.300 0.030 0.000 1.231 402 P CA -0.319 62.790 63.100 0.016 0.000 0.790 402 P CB 1.024 32.711 31.700 -0.021 0.000 0.951 403 N N 1.584 120.218 118.700 -0.109 0.000 2.419 403 N HA 0.187 4.927 4.740 0.000 0.000 0.277 403 N C 0.172 175.592 175.510 -0.151 0.000 1.006 403 N CA -0.422 52.532 53.050 -0.159 0.000 0.923 403 N CB 1.147 39.461 38.487 -0.289 0.000 1.140 403 N HN 0.183 nan 8.380 nan 0.000 0.488 404 V N 2.014 121.784 119.914 -0.241 0.000 3.006 404 V HA 0.378 4.498 4.120 0.000 0.000 0.357 404 V C -0.616 175.378 176.094 -0.167 0.000 1.377 404 V CA -0.202 61.986 62.300 -0.187 0.000 1.198 404 V CB -0.942 30.824 31.823 -0.095 0.000 1.216 404 V HN 0.493 nan 8.190 nan 0.000 0.520 405 Y N 1.301 121.639 120.300 0.063 0.000 2.612 405 Y HA 0.723 5.273 4.550 0.000 0.000 0.250 405 Y C 1.745 177.632 175.900 -0.021 0.000 1.175 405 Y CA -0.824 57.304 58.100 0.047 0.000 1.205 405 Y CB 0.927 39.408 38.460 0.034 0.000 1.201 405 Y HN 0.448 nan 8.280 nan 0.000 0.532 406 G N -0.308 108.523 108.800 0.053 0.000 2.205 406 G HA2 -0.159 3.801 3.960 0.000 0.000 0.180 406 G HA3 -0.159 3.801 3.960 0.000 0.000 0.180 406 G C -0.220 174.546 174.900 -0.225 0.000 1.004 406 G CA -0.505 44.559 45.100 -0.060 0.000 0.670 406 G HN 0.045 nan 8.290 nan 0.000 0.496 407 I N 2.032 122.437 120.570 -0.275 0.000 2.336 407 I HA 0.315 4.485 4.170 0.000 0.000 0.292 407 I C -0.364 175.554 176.117 -0.333 0.000 0.991 407 I CA -0.673 60.351 61.300 -0.460 0.000 1.227 407 I CB 1.402 39.087 38.000 -0.526 0.000 1.366 407 I HN 0.175 nan 8.210 nan 0.000 0.466 408 D N 7.860 128.059 120.400 -0.335 0.000 2.338 408 D HA 0.280 4.920 4.640 0.000 0.000 0.255 408 D C -0.543 175.688 176.300 -0.115 0.000 1.237 408 D CA 0.099 54.011 54.000 -0.147 0.000 0.883 408 D CB 0.576 41.390 40.800 0.024 0.000 1.087 408 D HN 0.158 nan 8.370 nan 0.000 0.485 409 M N 4.373 123.901 119.600 -0.120 0.000 2.518 409 M HA 0.408 4.889 4.480 0.000 0.000 0.300 409 M C -2.285 173.967 176.300 -0.080 0.000 1.175 409 M CA -2.174 53.059 55.300 -0.112 0.000 0.890 409 M CB 1.749 34.233 32.600 -0.195 0.000 1.710 409 M HN 0.296 nan 8.290 nan 0.000 0.453 410 P HA 0.213 nan 4.420 nan 0.000 0.277 410 P C -0.326 176.918 177.300 -0.093 0.000 1.276 410 P CA -0.277 62.784 63.100 -0.065 0.000 0.788 410 P CB 0.106 31.777 31.700 -0.049 0.000 1.114 411 S N -1.345 114.291 115.700 -0.106 0.000 2.600 411 S HA 0.299 4.769 4.470 0.000 0.000 0.265 411 S C 1.493 175.980 174.600 -0.188 0.000 1.325 411 S CA -0.044 58.076 58.200 -0.134 0.000 1.002 411 S CB 0.293 63.414 63.200 -0.132 0.000 0.921 411 S HN 0.569 nan 8.310 nan 0.000 0.554 412 A N 1.612 124.276 122.820 -0.261 0.000 1.917 412 A HA -0.114 4.206 4.320 0.000 0.000 0.219 412 A C 2.396 179.536 177.584 -0.741 0.000 1.182 412 A CA 2.326 54.042 52.037 -0.535 0.000 0.633 412 A CB -2.065 16.545 19.000 -0.649 0.000 0.819 412 A HN 1.270 nan 8.150 nan 0.000 0.448 413 T N -2.736 111.533 114.554 -0.475 0.000 3.072 413 T HA -0.005 4.345 4.350 0.000 0.000 0.266 413 T C 1.323 175.951 174.700 -0.120 0.000 1.127 413 T CA 1.413 63.361 62.100 -0.253 0.000 1.107 413 T CB -0.189 68.606 68.868 -0.122 0.000 0.910 413 T HN 0.638 nan 8.240 nan 0.000 0.513 414 E N 0.312 120.435 120.200 -0.130 0.000 2.400 414 E HA 0.244 4.594 4.350 0.000 0.000 0.195 414 E C 0.005 176.579 176.600 -0.043 0.000 1.012 414 E CA -0.129 56.230 56.400 -0.068 0.000 0.875 414 E CB 0.086 29.746 29.700 -0.067 0.000 0.859 414 E HN 0.550 nan 8.360 nan 0.000 0.498 415 L N 1.894 123.082 121.223 -0.059 0.000 2.313 415 L HA 0.158 4.498 4.340 0.000 0.000 0.282 415 L C 1.429 178.317 176.870 0.031 0.000 1.092 415 L CA -0.129 54.703 54.840 -0.015 0.000 0.831 415 L CB 0.833 42.865 42.059 -0.044 0.000 1.159 415 L HN 0.122 nan 8.230 nan 0.000 0.442 416 I N 2.833 123.429 120.570 0.043 0.000 2.315 416 I HA -0.325 3.845 4.170 0.000 0.000 0.251 416 I C 2.384 178.531 176.117 0.050 0.000 1.125 416 I CA 1.708 63.041 61.300 0.055 0.000 1.392 416 I CB 0.317 38.359 38.000 0.071 0.000 1.065 416 I HN 0.866 nan 8.210 nan 0.000 0.424 417 A N -0.718 122.124 122.820 0.036 0.000 2.066 417 A HA -0.215 4.105 4.320 0.000 0.000 0.218 417 A C 1.132 178.675 177.584 -0.068 0.000 1.157 417 A CA 0.509 52.526 52.037 -0.034 0.000 0.670 417 A CB -0.907 18.036 19.000 -0.095 0.000 0.804 417 A HN 0.656 nan 8.150 nan 0.000 0.453 418 H N -0.178 118.809 119.070 -0.138 0.000 3.107 418 H HA 0.330 4.886 4.556 0.000 0.000 0.301 418 H C 1.397 176.653 175.328 -0.120 0.000 0.981 418 H CA 0.745 56.682 56.048 -0.185 0.000 1.443 418 H CB -0.120 29.533 29.762 -0.183 0.000 1.479 418 H HN 0.508 nan 8.280 nan 0.000 0.564 419 G N 4.484 112.939 108.800 -0.575 0.000 2.203 419 G HA2 -0.288 3.672 3.960 0.000 0.000 0.263 419 G HA3 -0.288 3.672 3.960 0.000 0.000 0.263 419 G C 0.089 174.888 174.900 -0.168 0.000 1.012 419 G CA 0.474 45.349 45.100 -0.375 0.000 0.749 419 G HN 0.749 nan 8.290 nan 0.000 0.512 420 R N -0.365 120.057 120.500 -0.130 0.000 2.744 420 R HA 0.472 4.812 4.340 0.000 0.000 0.279 420 R C -0.454 175.814 176.300 -0.054 0.000 0.977 420 R CA -1.050 55.013 56.100 -0.063 0.000 0.906 420 R CB 1.472 31.758 30.300 -0.024 0.000 1.197 420 R HN 0.162 nan 8.270 nan 0.000 0.463 421 E N 1.107 121.295 120.200 -0.020 0.000 2.349 421 E HA 0.042 4.393 4.350 0.000 0.000 0.262 421 E C 1.173 177.796 176.600 0.039 0.000 1.088 421 E CA -0.178 56.222 56.400 -0.000 0.000 0.899 421 E CB 1.329 31.040 29.700 0.019 0.000 1.044 421 E HN 0.273 nan 8.360 nan 0.000 0.420 422 V N 1.408 121.365 119.914 0.072 0.000 2.332 422 V HA -0.301 3.819 4.120 0.000 0.000 0.248 422 V C 1.910 178.117 176.094 0.188 0.000 1.055 422 V CA 2.417 64.833 62.300 0.192 0.000 1.038 422 V CB -0.507 31.473 31.823 0.262 0.000 0.651 422 V HN 0.716 nan 8.190 nan 0.000 0.450 423 D N -0.561 119.919 120.400 0.135 0.000 2.218 423 D HA -0.167 4.474 4.640 0.000 0.000 0.204 423 D C 2.156 178.510 176.300 0.090 0.000 0.976 423 D CA 1.150 55.219 54.000 0.116 0.000 0.853 423 D CB 0.033 40.889 40.800 0.092 0.000 0.939 423 D HN 0.568 nan 8.370 nan 0.000 0.481 424 E N -0.403 119.841 120.200 0.074 0.000 2.072 424 E HA -0.078 4.272 4.350 0.000 0.000 0.190 424 E C 2.227 178.870 176.600 0.070 0.000 0.982 424 E CA 0.548 56.982 56.400 0.056 0.000 0.803 424 E CB 0.077 29.799 29.700 0.037 0.000 0.755 424 E HN 0.423 nan 8.360 nan 0.000 0.453 425 I N 0.973 121.603 120.570 0.099 0.000 2.226 425 I HA -0.278 3.892 4.170 0.000 0.000 0.245 425 I C 2.738 178.926 176.117 0.119 0.000 1.100 425 I CA 0.967 62.342 61.300 0.125 0.000 1.374 425 I CB -0.341 37.785 38.000 0.209 0.000 1.057 425 I HN 0.060 nan 8.210 nan 0.000 0.413 426 R N 1.196 121.776 120.500 0.133 0.000 2.094 426 R HA -0.246 4.095 4.340 0.000 0.000 0.239 426 R C 2.305 178.644 176.300 0.064 0.000 1.137 426 R CA 2.015 58.180 56.100 0.108 0.000 0.943 426 R CB -0.265 30.112 30.300 0.128 0.000 0.850 426 R HN 0.451 nan 8.270 nan 0.000 0.433 427 Q N 0.062 119.895 119.800 0.056 0.000 2.096 427 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 427 Q C 2.287 178.303 176.000 0.027 0.000 0.982 427 Q CA 1.898 57.720 55.803 0.033 0.000 0.850 427 Q CB -0.153 28.603 28.738 0.030 0.000 0.901 427 Q HN 0.468 nan 8.270 nan 0.000 0.422 428 I N 1.071 121.663 120.570 0.036 0.000 2.179 428 I HA -0.268 3.902 4.170 0.000 0.000 0.242 428 I C 2.420 178.551 176.117 0.024 0.000 1.088 428 I CA 1.221 62.538 61.300 0.029 0.000 1.357 428 I CB -0.482 37.540 38.000 0.037 0.000 1.051 428 I HN 0.304 nan 8.210 nan 0.000 0.409 429 I N -1.166 119.424 120.570 0.033 0.000 3.111 429 I HA 0.197 4.367 4.170 0.000 0.000 0.272 429 I C 1.476 177.596 176.117 0.006 0.000 1.268 429 I CA 0.883 62.196 61.300 0.021 0.000 1.467 429 I CB -0.520 37.498 38.000 0.030 0.000 1.087 429 I HN 0.360 nan 8.210 nan 0.000 0.467 430 G N 1.500 110.302 108.800 0.004 0.000 2.137 430 G HA2 -0.190 3.770 3.960 0.000 0.000 0.237 430 G HA3 -0.190 3.770 3.960 0.000 0.000 0.237 430 G C 0.290 175.171 174.900 -0.032 0.000 1.002 430 G CA 0.064 45.155 45.100 -0.014 0.000 0.702 430 G HN 0.957 nan 8.290 nan 0.000 0.515 431 A N -0.353 122.454 122.820 -0.022 0.000 2.302 431 A HA 0.635 4.955 4.320 0.000 0.000 0.285 431 A C 1.109 178.635 177.584 -0.097 0.000 1.105 431 A CA 0.381 52.386 52.037 -0.053 0.000 0.816 431 A CB 0.491 19.494 19.000 0.005 0.000 1.067 431 A HN 0.189 nan 8.150 nan 0.000 0.489 432 D N 0.621 120.877 120.400 -0.241 0.000 2.317 432 D HA 0.127 4.767 4.640 0.000 0.000 0.211 432 D C 0.760 176.953 176.300 -0.179 0.000 0.966 432 D CA 1.608 55.428 54.000 -0.300 0.000 0.876 432 D CB 0.357 40.792 40.800 -0.608 0.000 0.927 432 D HN 0.703 nan 8.370 nan 0.000 0.519 433 G N 0.448 109.206 108.800 -0.070 0.000 2.702 433 G HA2 0.448 4.408 3.960 0.000 0.000 0.296 433 G HA3 0.448 4.408 3.960 0.000 0.000 0.296 433 G C -2.218 172.923 174.900 0.401 0.000 1.463 433 G CA -0.570 44.631 45.100 0.169 0.000 0.890 433 G HN 0.040 nan 8.290 nan 0.000 0.534 434 L N 1.540 123.093 121.223 0.550 0.000 2.464 434 L HA 0.915 5.255 4.340 0.000 0.000 0.266 434 L C -1.331 175.705 176.870 0.278 0.000 0.965 434 L CA -0.930 54.123 54.840 0.355 0.000 0.833 434 L CB 1.846 44.012 42.059 0.178 0.000 1.296 434 L HN 0.703 nan 8.230 nan 0.000 0.405 435 I N 3.568 124.074 120.570 -0.106 0.000 2.656 435 I HA 0.556 4.726 4.170 0.000 0.000 0.292 435 I C -1.602 174.291 176.117 -0.374 0.000 1.144 435 I CA -0.353 60.777 61.300 -0.283 0.000 1.038 435 I CB 1.662 39.147 38.000 -0.858 0.000 1.244 435 I HN 0.577 nan 8.210 nan 0.000 0.420 436 F N 4.059 123.940 119.950 -0.115 0.000 2.523 436 F HA 0.494 5.021 4.527 0.000 0.000 0.329 436 F C 0.241 175.965 175.800 -0.127 0.000 1.061 436 F CA -0.496 57.452 58.000 -0.087 0.000 0.967 436 F CB 1.326 40.302 39.000 -0.041 0.000 1.218 436 F HN 0.410 nan 8.300 nan 0.000 0.480 437 Q N 1.428 121.271 119.800 0.072 0.000 2.361 437 Q HA 0.091 4.431 4.340 0.000 0.000 0.276 437 Q C -1.131 174.847 176.000 -0.038 0.000 1.022 437 Q CA 0.165 55.947 55.803 -0.036 0.000 0.898 437 Q CB 0.398 29.087 28.738 -0.082 0.000 1.246 437 Q HN 0.368 nan 8.270 nan 0.000 0.410 438 D N 2.976 123.334 120.400 -0.070 0.000 2.302 438 D HA 0.014 4.654 4.640 0.000 0.000 0.248 438 D C 0.735 176.965 176.300 -0.117 0.000 1.094 438 D CA -0.256 53.701 54.000 -0.072 0.000 0.897 438 D CB 1.248 42.013 40.800 -0.059 0.000 1.200 438 D HN 0.601 nan 8.370 nan 0.000 0.429 439 L N 4.027 125.175 121.223 -0.125 0.000 2.046 439 L HA -0.201 4.139 4.340 0.000 0.000 0.208 439 L C 1.899 178.703 176.870 -0.110 0.000 1.077 439 L CA 1.680 56.421 54.840 -0.166 0.000 0.747 439 L CB -0.619 41.377 42.059 -0.105 0.000 0.896 439 L HN 0.498 nan 8.230 nan 0.000 0.432 440 N N -1.434 117.228 118.700 -0.063 0.000 2.223 440 N HA -0.229 4.511 4.740 0.000 0.000 0.185 440 N C 1.278 176.752 175.510 -0.059 0.000 1.016 440 N CA 1.699 54.726 53.050 -0.039 0.000 0.863 440 N CB -0.706 37.770 38.487 -0.019 0.000 0.983 440 N HN 0.364 nan 8.380 nan 0.000 0.429 441 D N 0.949 121.302 120.400 -0.079 0.000 2.117 441 D HA -0.086 4.554 4.640 0.000 0.000 0.198 441 D C 2.081 178.307 176.300 -0.123 0.000 0.982 441 D CA 0.440 54.386 54.000 -0.090 0.000 0.828 441 D CB -0.347 40.398 40.800 -0.091 0.000 0.967 441 D HN 0.225 nan 8.370 nan 0.000 0.464 442 L N 0.873 122.001 121.223 -0.160 0.000 2.012 442 L HA -0.116 4.224 4.340 0.000 0.000 0.210 442 L C 2.062 178.789 176.870 -0.238 0.000 1.073 442 L CA 1.443 56.156 54.840 -0.213 0.000 0.748 442 L CB -0.638 41.249 42.059 -0.287 0.000 0.891 442 L HN 0.007 nan 8.230 nan 0.000 0.431 443 I N -0.200 120.260 120.570 -0.184 0.000 2.226 443 I HA -0.291 3.879 4.170 0.000 0.000 0.245 443 I C 2.060 178.132 176.117 -0.075 0.000 1.100 443 I CA 1.476 62.691 61.300 -0.141 0.000 1.374 443 I CB -0.573 37.453 38.000 0.044 0.000 1.057 443 I HN 0.303 nan 8.210 nan 0.000 0.413 444 D N 1.020 121.386 120.400 -0.058 0.000 2.117 444 D HA -0.132 4.508 4.640 0.000 0.000 0.198 444 D C 2.275 178.527 176.300 -0.079 0.000 0.982 444 D CA 1.506 55.482 54.000 -0.041 0.000 0.828 444 D CB -0.232 40.544 40.800 -0.041 0.000 0.967 444 D HN 0.343 nan 8.370 nan 0.000 0.464 445 A N 0.562 123.308 122.820 -0.124 0.000 1.940 445 A HA -0.152 4.168 4.320 0.000 0.000 0.219 445 A C 2.483 179.956 177.584 -0.185 0.000 1.176 445 A CA 1.420 53.369 52.037 -0.146 0.000 0.631 445 A CB -0.571 18.334 19.000 -0.159 0.000 0.814 445 A HN 0.176 nan 8.150 nan 0.000 0.446 446 V N -0.853 118.900 119.914 -0.267 0.000 2.446 446 V HA -0.090 4.030 4.120 0.000 0.000 0.244 446 V C 2.505 178.505 176.094 -0.157 0.000 1.039 446 V CA 1.668 63.741 62.300 -0.378 0.000 1.045 446 V CB -0.714 30.619 31.823 -0.815 0.000 0.681 446 V HN 0.551 nan 8.190 nan 0.000 0.459 447 R N 0.362 120.870 120.500 0.013 0.000 2.120 447 R HA -0.147 4.193 4.340 0.000 0.000 0.234 447 R C 2.302 178.622 176.300 0.033 0.000 1.123 447 R CA 1.397 57.583 56.100 0.143 0.000 0.975 447 R CB -0.423 29.984 30.300 0.178 0.000 0.866 447 R HN 0.514 nan 8.270 nan 0.000 0.446 448 A N 0.932 123.743 122.820 -0.015 0.000 2.032 448 A HA -0.171 4.149 4.320 0.000 0.000 0.221 448 A C 1.618 179.188 177.584 -0.023 0.000 1.165 448 A CA 1.476 53.498 52.037 -0.026 0.000 0.645 448 A CB -0.218 18.752 19.000 -0.050 0.000 0.807 448 A HN 0.287 nan 8.150 nan 0.000 0.453 449 E N -0.897 119.283 120.200 -0.033 0.000 2.371 449 E HA -0.010 4.340 4.350 0.000 0.000 0.194 449 E C -0.075 176.538 176.600 0.022 0.000 1.012 449 E CA 0.386 56.778 56.400 -0.014 0.000 0.860 449 E CB 0.003 29.678 29.700 -0.042 0.000 0.811 449 E HN 0.577 nan 8.360 nan 0.000 0.502 450 N N -0.357 118.359 118.700 0.028 0.000 2.932 450 N HA 0.113 4.854 4.740 0.000 0.000 0.242 450 N C -2.619 172.907 175.510 0.028 0.000 1.351 450 N CA -1.168 51.905 53.050 0.039 0.000 0.785 450 N CB 1.181 39.704 38.487 0.061 0.000 1.501 450 N HN -0.302 nan 8.380 nan 0.000 0.584 451 P HA -0.000 nan 4.420 nan 0.000 0.225 451 P C 0.353 177.646 177.300 -0.012 0.000 1.148 451 P CA 0.794 63.897 63.100 0.006 0.000 0.779 451 P CB 0.415 32.118 31.700 0.004 0.000 0.780 452 D N -0.865 119.527 120.400 -0.013 0.000 2.218 452 D HA -0.072 4.568 4.640 0.000 0.000 0.204 452 D C 0.780 177.040 176.300 -0.066 0.000 0.976 452 D CA 0.836 54.820 54.000 -0.027 0.000 0.853 452 D CB -0.309 40.484 40.800 -0.011 0.000 0.939 452 D HN 0.134 nan 8.370 nan 0.000 0.481 453 I N 1.820 122.330 120.570 -0.099 0.000 2.436 453 I HA 0.019 4.189 4.170 0.000 0.000 0.289 453 I C 1.389 177.349 176.117 -0.263 0.000 1.083 453 I CA 0.383 61.542 61.300 -0.234 0.000 1.372 453 I CB 0.882 38.654 38.000 -0.381 0.000 1.408 453 I HN -0.016 nan 8.210 nan 0.000 0.516 454 Q N 4.186 123.845 119.800 -0.234 0.000 2.392 454 Q HA 0.114 4.454 4.340 0.000 0.000 0.219 454 Q C 0.440 176.331 176.000 -0.180 0.000 0.895 454 Q CA 0.295 56.003 55.803 -0.159 0.000 0.929 454 Q CB 1.039 29.722 28.738 -0.091 0.000 1.077 454 Q HN 0.642 nan 8.270 nan 0.000 0.532 455 Q N -0.216 119.412 119.800 -0.285 0.000 2.331 455 Q HA 0.439 4.779 4.340 0.000 0.000 0.272 455 Q C -1.672 174.116 176.000 -0.353 0.000 1.062 455 Q CA -0.409 55.276 55.803 -0.198 0.000 0.806 455 Q CB 1.529 30.217 28.738 -0.084 0.000 1.312 455 Q HN -0.079 nan 8.270 nan 0.000 0.431 456 F N 0.680 120.662 119.950 0.053 0.000 2.541 456 F HA 0.352 4.879 4.527 0.000 0.000 0.331 456 F C 0.399 176.255 175.800 0.093 0.000 1.057 456 F CA -0.786 57.269 58.000 0.090 0.000 0.975 456 F CB 1.400 40.475 39.000 0.124 0.000 1.246 456 F HN 0.405 nan 8.300 nan 0.000 0.484 457 E N 0.988 121.373 120.200 0.308 0.000 2.070 457 E HA 0.177 4.527 4.350 0.000 0.000 0.282 457 E C -0.483 176.270 176.600 0.254 0.000 1.104 457 E CA 0.079 56.604 56.400 0.208 0.000 0.876 457 E CB 0.579 30.378 29.700 0.164 0.000 1.055 457 E HN 0.743 nan 8.360 nan 0.000 0.401 458 C N 2.578 121.998 119.300 0.200 0.000 3.104 458 C HA 0.052 4.512 4.460 0.000 0.000 0.284 458 C C 2.257 177.270 174.990 0.038 0.000 1.326 458 C CA 0.188 59.355 59.018 0.248 0.000 1.725 458 C CB -1.374 26.549 27.740 0.304 0.000 2.156 458 C HN 0.759 nan 8.230 nan 0.000 0.638 459 S N 2.702 118.307 115.700 -0.158 0.000 2.399 459 S HA -0.266 4.204 4.470 0.000 0.000 0.235 459 S C 1.849 176.241 174.600 -0.348 0.000 1.063 459 S CA 2.268 60.172 58.200 -0.493 0.000 1.070 459 S CB -1.231 61.394 63.200 -0.960 0.000 0.904 459 S HN 0.844 nan 8.310 nan 0.000 0.456 460 V N -1.778 117.939 119.914 -0.329 0.000 2.594 460 V HA -0.022 4.098 4.120 0.000 0.000 0.253 460 V C 2.033 178.049 176.094 -0.130 0.000 1.069 460 V CA 1.546 63.664 62.300 -0.304 0.000 1.082 460 V CB -1.370 30.065 31.823 -0.646 0.000 0.680 460 V HN 0.416 nan 8.190 nan 0.000 0.469 461 F N 2.613 122.681 119.950 0.198 0.000 2.317 461 F HA 0.214 4.742 4.527 0.000 0.000 0.290 461 F C 2.117 178.051 175.800 0.223 0.000 1.075 461 F CA 1.009 59.131 58.000 0.204 0.000 1.380 461 F CB -0.746 38.343 39.000 0.148 0.000 1.093 461 F HN 0.501 nan 8.300 nan 0.000 0.524 462 N N -1.101 117.731 118.700 0.221 0.000 2.171 462 N HA 0.225 4.965 4.740 0.000 0.000 0.212 462 N C 1.408 176.649 175.510 -0.448 0.000 1.184 462 N CA 0.633 53.707 53.050 0.040 0.000 0.888 462 N CB 0.313 38.825 38.487 0.042 0.000 1.038 462 N HN 0.245 nan 8.380 nan 0.000 0.517 463 G N -0.318 107.889 108.800 -0.987 0.000 2.189 463 G HA2 -0.265 3.696 3.960 0.000 0.000 0.267 463 G HA3 -0.265 3.696 3.960 0.000 0.000 0.267 463 G C -0.395 174.062 174.900 -0.737 0.000 0.975 463 G CA 0.506 44.683 45.100 -1.538 0.000 0.644 463 G HN 0.315 nan 8.290 nan 0.000 0.537 464 V N 1.215 120.811 119.914 -0.530 0.000 2.368 464 V HA 0.489 4.609 4.120 0.000 0.000 0.266 464 V C -0.092 175.807 176.094 -0.324 0.000 1.045 464 V CA -0.618 61.522 62.300 -0.267 0.000 0.899 464 V CB 0.415 32.163 31.823 -0.126 0.000 1.006 464 V HN 0.243 nan 8.190 nan 0.000 0.470 465 Y N 3.665 123.964 120.300 -0.002 0.000 2.353 465 Y HA 0.295 4.845 4.550 0.000 0.000 0.340 465 Y C 1.155 177.136 175.900 0.136 0.000 0.972 465 Y CA -0.636 57.529 58.100 0.109 0.000 1.157 465 Y CB 1.696 40.191 38.460 0.058 0.000 1.157 465 Y HN 0.520 nan 8.280 nan 0.000 0.495 466 V N -0.348 119.725 119.914 0.265 0.000 2.594 466 V HA -0.219 3.901 4.120 0.000 0.000 0.253 466 V C 1.543 177.713 176.094 0.126 0.000 1.069 466 V CA 2.353 64.730 62.300 0.128 0.000 1.082 466 V CB -1.111 30.728 31.823 0.025 0.000 0.680 466 V HN 0.895 nan 8.190 nan 0.000 0.469 467 T N -2.679 112.007 114.554 0.220 0.000 3.118 467 T HA 0.058 4.408 4.350 0.000 0.000 0.260 467 T C 1.042 175.808 174.700 0.111 0.000 1.139 467 T CA 0.539 62.730 62.100 0.150 0.000 1.085 467 T CB -0.635 68.357 68.868 0.207 0.000 0.934 467 T HN 0.678 nan 8.240 nan 0.000 0.518 468 K N 1.519 122.000 120.400 0.135 0.000 2.975 468 K HA -0.165 4.155 4.320 0.000 0.000 0.257 468 K C -0.514 176.101 176.600 0.024 0.000 1.005 468 K CA 0.993 57.328 56.287 0.080 0.000 0.738 468 K CB -1.531 31.002 32.500 0.054 0.000 1.236 468 K HN 0.756 nan 8.250 nan 0.000 0.483 469 D N -1.321 119.072 120.400 -0.011 0.000 2.620 469 D HA 0.118 4.758 4.640 0.000 0.000 0.260 469 D C -0.233 175.957 176.300 -0.183 0.000 1.367 469 D CA -0.340 53.605 54.000 -0.091 0.000 0.805 469 D CB 0.332 41.063 40.800 -0.114 0.000 1.096 469 D HN -0.017 nan 8.370 nan 0.000 0.488 470 V N 2.160 121.969 119.914 -0.176 0.000 2.350 470 V HA 0.498 4.618 4.120 0.000 0.000 0.276 470 V C -0.387 175.631 176.094 -0.128 0.000 1.028 470 V CA -0.420 61.734 62.300 -0.242 0.000 0.860 470 V CB 1.082 32.473 31.823 -0.720 0.000 0.990 470 V HN 0.299 nan 8.190 nan 0.000 0.453 471 D N 3.381 123.774 120.400 -0.011 0.000 2.732 471 D HA 0.295 4.935 4.640 0.000 0.000 0.292 471 D C 0.499 176.822 176.300 0.037 0.000 1.135 471 D CA -0.825 53.180 54.000 0.009 0.000 1.071 471 D CB 1.287 42.093 40.800 0.011 0.000 1.457 471 D HN 0.050 nan 8.370 nan 0.000 0.547 472 Q N -0.380 119.437 119.800 0.028 0.000 2.224 472 Q HA 0.178 4.518 4.340 0.000 0.000 0.203 472 Q C 1.987 177.999 176.000 0.021 0.000 0.970 472 Q CA 2.014 57.829 55.803 0.020 0.000 0.865 472 Q CB -0.663 28.087 28.738 0.020 0.000 0.922 472 Q HN 0.718 nan 8.270 nan 0.000 0.445 473 G N -0.968 107.853 108.800 0.035 0.000 2.422 473 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 473 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 473 G C 1.217 176.166 174.900 0.082 0.000 1.140 473 G CA 0.735 45.856 45.100 0.034 0.000 0.775 473 G HN 0.412 nan 8.290 nan 0.000 0.545 474 Y N 1.073 121.358 120.300 -0.024 0.000 2.184 474 Y HA 0.127 4.677 4.550 0.000 0.000 0.290 474 Y C 2.540 178.472 175.900 0.054 0.000 1.129 474 Y CA 0.784 58.893 58.100 0.016 0.000 1.144 474 Y CB -0.335 38.099 38.460 -0.043 0.000 0.995 474 Y HN 0.082 nan 8.280 nan 0.000 0.513 475 L N -0.148 120.974 121.223 -0.169 0.000 2.012 475 L HA -0.250 4.090 4.340 0.000 0.000 0.210 475 L C 2.088 178.845 176.870 -0.188 0.000 1.073 475 L CA 1.742 56.437 54.840 -0.242 0.000 0.748 475 L CB -0.685 41.300 42.059 -0.122 0.000 0.891 475 L HN 0.171 nan 8.230 nan 0.000 0.431 476 D N -0.220 120.127 120.400 -0.089 0.000 2.123 476 D HA -0.230 4.410 4.640 0.000 0.000 0.196 476 D C 1.874 178.143 176.300 -0.051 0.000 0.992 476 D CA 1.202 55.166 54.000 -0.059 0.000 0.833 476 D CB -0.278 40.512 40.800 -0.018 0.000 0.954 476 D HN 0.238 nan 8.370 nan 0.000 0.455 477 F N 1.304 121.145 119.950 -0.183 0.000 2.171 477 F HA -0.092 4.435 4.527 0.000 0.000 0.300 477 F C 2.016 177.694 175.800 -0.204 0.000 1.090 477 F CA 0.990 58.884 58.000 -0.177 0.000 1.293 477 F CB -0.303 38.598 39.000 -0.166 0.000 1.013 477 F HN -0.109 nan 8.300 nan 0.000 0.486 478 L N -0.084 120.879 121.223 -0.433 0.000 2.083 478 L HA -0.209 4.131 4.340 0.000 0.000 0.209 478 L C 2.040 178.694 176.870 -0.360 0.000 1.083 478 L CA 1.619 56.160 54.840 -0.497 0.000 0.752 478 L CB -0.841 40.945 42.059 -0.455 0.000 0.899 478 L HN 0.052 nan 8.230 nan 0.000 0.433 479 D N -0.689 119.554 120.400 -0.260 0.000 2.144 479 D HA -0.158 4.482 4.640 0.000 0.000 0.199 479 D C 2.145 178.336 176.300 -0.182 0.000 0.984 479 D CA 1.372 55.261 54.000 -0.184 0.000 0.834 479 D CB -0.026 40.693 40.800 -0.134 0.000 0.955 479 D HN 0.160 nan 8.370 nan 0.000 0.465 480 T N 0.424 114.851 114.554 -0.212 0.000 2.674 480 T HA -0.098 4.252 4.350 0.000 0.000 0.265 480 T C 2.070 176.634 174.700 -0.226 0.000 1.039 480 T CA 0.588 62.577 62.100 -0.186 0.000 1.150 480 T CB -0.323 68.445 68.868 -0.166 0.000 0.864 480 T HN 0.126 nan 8.240 nan 0.000 0.427 481 L N 0.479 121.483 121.223 -0.366 0.000 2.013 481 L HA -0.175 4.165 4.340 0.000 0.000 0.212 481 L C 2.871 179.631 176.870 -0.185 0.000 1.073 481 L CA 1.651 56.303 54.840 -0.313 0.000 0.753 481 L CB -0.552 41.257 42.059 -0.415 0.000 0.890 481 L HN 0.213 nan 8.230 nan 0.000 0.432 482 R N 0.372 120.767 120.500 -0.175 0.000 2.105 482 R HA -0.211 4.129 4.340 0.000 0.000 0.239 482 R C 2.170 178.417 176.300 -0.088 0.000 1.135 482 R CA 1.938 57.969 56.100 -0.115 0.000 0.967 482 R CB -0.291 29.941 30.300 -0.114 0.000 0.861 482 R HN 0.472 nan 8.270 nan 0.000 0.442 483 N N -0.111 118.532 118.700 -0.095 0.000 2.106 483 N HA -0.167 4.573 4.740 0.000 0.000 0.188 483 N C 0.730 176.205 175.510 -0.059 0.000 1.029 483 N CA 1.596 54.603 53.050 -0.070 0.000 0.848 483 N CB -0.057 38.389 38.487 -0.070 0.000 1.007 483 N HN 0.189 nan 8.380 nan 0.000 0.423 484 D N 0.931 121.290 120.400 -0.068 0.000 2.144 484 D HA -0.125 4.515 4.640 0.000 0.000 0.199 484 D C 1.317 177.592 176.300 -0.041 0.000 0.984 484 D CA 0.897 54.866 54.000 -0.051 0.000 0.834 484 D CB -0.454 40.313 40.800 -0.055 0.000 0.955 484 D HN 0.336 nan 8.370 nan 0.000 0.465 485 D N 0.522 120.893 120.400 -0.049 0.000 2.117 485 D HA -0.082 4.558 4.640 0.000 0.000 0.197 485 D C 2.060 178.343 176.300 -0.029 0.000 0.987 485 D CA 1.247 55.227 54.000 -0.034 0.000 0.829 485 D CB -0.286 40.492 40.800 -0.037 0.000 0.961 485 D HN 0.142 nan 8.370 nan 0.000 0.460 486 A N 1.241 124.040 122.820 -0.034 0.000 1.902 486 A HA -0.219 4.101 4.320 0.000 0.000 0.217 486 A C 2.083 179.652 177.584 -0.024 0.000 1.181 486 A CA 1.480 53.499 52.037 -0.030 0.000 0.623 486 A CB -0.391 18.589 19.000 -0.033 0.000 0.818 486 A HN 0.133 nan 8.150 nan 0.000 0.443 487 K N -0.452 119.933 120.400 -0.025 0.000 2.026 487 K HA -0.097 4.223 4.320 0.000 0.000 0.208 487 K C 2.320 178.912 176.600 -0.015 0.000 1.048 487 K CA 1.172 57.447 56.287 -0.019 0.000 0.929 487 K CB -0.342 32.146 32.500 -0.019 0.000 0.713 487 K HN 0.448 nan 8.250 nan 0.000 0.439 488 A N 0.909 123.720 122.820 -0.014 0.000 1.933 488 A HA -0.119 4.201 4.320 0.000 0.000 0.218 488 A C 2.316 179.895 177.584 -0.009 0.000 1.175 488 A CA 1.397 53.429 52.037 -0.009 0.000 0.628 488 A CB -0.493 18.503 19.000 -0.007 0.000 0.814 488 A HN 0.086 nan 8.150 nan 0.000 0.444 489 V N -0.369 119.537 119.914 -0.013 0.000 2.453 489 V HA -0.209 3.911 4.120 0.000 0.000 0.247 489 V C 2.681 178.767 176.094 -0.014 0.000 1.048 489 V CA 2.147 64.438 62.300 -0.014 0.000 1.049 489 V CB -0.557 31.254 31.823 -0.019 0.000 0.672 489 V HN 0.699 nan 8.190 nan 0.000 0.457 490 Q N 0.968 120.759 119.800 -0.014 0.000 2.050 490 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 490 Q C 2.320 178.316 176.000 -0.008 0.000 0.980 490 Q CA 2.063 57.859 55.803 -0.012 0.000 0.840 490 Q CB -0.469 28.262 28.738 -0.013 0.000 0.898 490 Q HN 0.538 nan 8.270 nan 0.000 0.424 491 R N -0.287 120.209 120.500 -0.007 0.000 2.083 491 R HA -0.201 4.139 4.340 0.000 0.000 0.237 491 R C 2.349 178.648 176.300 -0.001 0.000 1.137 491 R CA 1.867 57.965 56.100 -0.003 0.000 0.951 491 R CB -0.312 29.987 30.300 -0.002 0.000 0.851 491 R HN 0.501 nan 8.270 nan 0.000 0.434 492 Q N 0.085 119.883 119.800 -0.002 0.000 2.181 492 Q HA -0.197 4.143 4.340 0.000 0.000 0.205 492 Q C 1.237 177.237 176.000 -0.000 0.000 0.980 492 Q CA 2.201 58.003 55.803 -0.001 0.000 0.862 492 Q CB 0.005 28.741 28.738 -0.003 0.000 0.905 492 Q HN 0.565 nan 8.270 nan 0.000 0.429 493 N N -0.414 118.285 118.700 -0.003 0.000 2.148 493 N HA -0.106 4.634 4.740 0.000 0.000 0.186 493 N C 1.361 176.874 175.510 0.004 0.000 1.031 493 N CA 0.848 53.898 53.050 -0.001 0.000 0.848 493 N CB -0.017 38.466 38.487 -0.006 0.000 1.005 493 N HN 0.197 nan 8.380 nan 0.000 0.427 494 E N 0.383 120.584 120.200 0.002 0.000 2.132 494 E HA -0.271 4.079 4.350 0.000 0.000 0.218 494 E C 1.841 178.445 176.600 0.007 0.000 1.058 494 E CA 2.001 58.403 56.400 0.004 0.000 0.882 494 E CB -0.206 29.495 29.700 0.002 0.000 0.774 494 E HN 0.330 nan 8.360 nan 0.000 0.467 495 V N -0.637 119.282 119.914 0.008 0.000 3.647 495 V HA 0.038 4.159 4.120 0.000 0.000 0.279 495 V C 1.794 177.896 176.094 0.013 0.000 1.314 495 V CA 0.805 63.111 62.300 0.010 0.000 1.125 495 V CB 0.469 32.297 31.823 0.008 0.000 0.907 495 V HN 0.156 nan 8.190 nan 0.000 0.434 496 E N 1.830 122.039 120.200 0.014 0.000 2.150 496 E HA -0.213 4.137 4.350 0.000 0.000 0.193 496 E C 1.629 178.245 176.600 0.026 0.000 0.985 496 E CA 2.011 58.423 56.400 0.020 0.000 0.814 496 E CB -0.134 29.577 29.700 0.019 0.000 0.752 496 E HN 0.877 nan 8.360 nan 0.000 0.466 497 N N -0.144 118.570 118.700 0.024 0.000 2.173 497 N HA -0.008 4.732 4.740 0.000 0.000 0.184 497 N C 2.004 177.526 175.510 0.020 0.000 1.025 497 N CA 0.627 53.693 53.050 0.027 0.000 0.852 497 N CB -0.001 38.500 38.487 0.023 0.000 0.998 497 N HN 0.069 nan 8.380 nan 0.000 0.427 498 L N 1.030 122.262 121.223 0.015 0.000 2.362 498 L HA -0.063 4.277 4.340 0.000 0.000 0.219 498 L C 2.202 179.079 176.870 0.012 0.000 1.134 498 L CA 0.744 55.591 54.840 0.012 0.000 0.807 498 L CB -0.163 41.901 42.059 0.009 0.000 0.927 498 L HN 0.307 nan 8.230 nan 0.000 0.447 499 E N -0.225 119.983 120.200 0.014 0.000 2.347 499 E HA -0.100 4.250 4.350 0.000 0.000 0.196 499 E C 1.223 177.830 176.600 0.012 0.000 1.008 499 E CA 0.158 56.566 56.400 0.013 0.000 0.852 499 E CB 0.324 30.034 29.700 0.015 0.000 0.783 499 E HN 0.273 nan 8.360 nan 0.000 0.505 500 M N 0.000 119.608 119.600 0.014 0.000 2.572 500 M HA 0.000 4.480 4.480 0.000 0.000 0.227 500 M CA 0.000 55.306 55.300 0.010 0.000 0.988 500 M CB 0.000 32.608 32.600 0.013 0.000 1.302 500 M HN 0.000 nan 8.290 nan 0.000 0.411