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 3dhv_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLLEQIEKWA AETPDQTAFV WRDAKITYKQ LKEDSDALAH WISSEYPDDR DATA SEQUENCE SPIMVYGHMQ PEMIINFLGC VKAGHAYIPV DLSIPADRVQ RIAENSGAKL DATA SEQUENCE LLSATAVTVT DLPVRIVSED NLKDIFFTHK GNTPNPEHAV KGDENFYIIY DATA SEQUENCE TSXXXXXPKG VQITYNCLVS FTKWAVEDFN LQTGQVFLNQ APFSFDLSVM DATA SEQUENCE DIYPSLVTGG TLWAIDKDMI ARPKDLFASL EQSDIQVWTS TPSFAEMCLM DATA SEQUENCE EASFSESMLP NMKTFLFCGE VLPNEVARKL IERFPKATIM NTYGPTEATV DATA SEQUENCE AVTGIHVTEE VLDQYKSLPV GYCKSDCRLL IMKEDGTIAP DGEKGEIVIV DATA SEQUENCE GPSVSVGYLG SPELTEKAFT MIDGERAYKT GDAGYVENGL LFYNGRLDFQ DATA SEQUENCE IKLHGYRMEL EEIEHHLRAC SYVEGAVIVP IKKGEKYDYL LAVVVPGEHS DATA SEQUENCE FEKEFKLTSA IKKELNERLP NYMIPRKFMY QSSIPMTPNG KVDRKKLLSE DATA SEQUENCE VTA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.721 176.600 0.201 0.000 0.988 2 K CA 0.000 56.392 56.287 0.175 0.000 0.838 2 K CB 0.000 32.617 32.500 0.195 0.000 1.064 3 L N 2.236 123.641 121.223 0.304 0.000 1.989 3 L HA 0.138 4.486 4.340 0.013 0.000 0.211 3 L C 1.934 178.958 176.870 0.256 0.000 1.071 3 L CA 2.079 57.049 54.840 0.216 0.000 0.749 3 L CB -0.646 41.493 42.059 0.133 0.000 0.890 3 L HN 0.388 nan 8.230 nan 0.000 0.431 4 L N -0.747 120.662 121.223 0.309 0.000 2.131 4 L HA -0.186 4.162 4.340 0.013 0.000 0.210 4 L C 2.498 179.479 176.870 0.186 0.000 1.092 4 L CA 1.251 56.253 54.840 0.270 0.000 0.759 4 L CB -0.637 41.577 42.059 0.258 0.000 0.903 4 L HN 0.409 nan 8.230 nan 0.000 0.435 5 E N 0.162 120.448 120.200 0.143 0.000 2.107 5 E HA -0.239 4.119 4.350 0.013 0.000 0.191 5 E C 2.112 178.735 176.600 0.038 0.000 0.982 5 E CA 1.220 57.665 56.400 0.075 0.000 0.809 5 E CB -0.108 29.623 29.700 0.052 0.000 0.756 5 E HN 0.672 nan 8.360 nan 0.000 0.459 6 Q N 0.488 120.330 119.800 0.070 0.000 2.297 6 Q HA -0.058 4.290 4.340 0.013 0.000 0.204 6 Q C 2.086 178.150 176.000 0.108 0.000 0.962 6 Q CA 0.896 56.721 55.803 0.037 0.000 0.879 6 Q CB -0.154 28.640 28.738 0.092 0.000 0.947 6 Q HN 0.314 nan 8.270 nan 0.000 0.462 7 I N 0.879 121.574 120.570 0.209 0.000 2.277 7 I HA -0.165 4.013 4.170 0.013 0.000 0.243 7 I C 2.156 178.433 176.117 0.266 0.000 1.094 7 I CA 0.985 62.489 61.300 0.340 0.000 1.393 7 I CB 0.019 38.220 38.000 0.335 0.000 1.078 7 I HN 0.163 nan 8.210 nan 0.000 0.417 8 E N 1.299 121.593 120.200 0.157 0.000 2.160 8 E HA -0.276 4.082 4.350 0.013 0.000 0.195 8 E C 2.059 178.657 176.600 -0.003 0.000 0.991 8 E CA 1.124 57.587 56.400 0.104 0.000 0.810 8 E CB -0.098 29.647 29.700 0.075 0.000 0.742 8 E HN 0.201 nan 8.360 nan 0.000 0.466 9 K N -0.531 119.783 120.400 -0.143 0.000 2.160 9 K HA -0.202 4.126 4.320 0.013 0.000 0.206 9 K C 1.348 177.664 176.600 -0.475 0.000 1.047 9 K CA 1.702 57.768 56.287 -0.369 0.000 0.930 9 K CB -0.286 31.866 32.500 -0.581 0.000 0.720 9 K HN 0.269 nan 8.250 nan 0.000 0.450 10 W N 0.076 121.290 121.300 -0.142 0.000 2.658 10 W HA 0.125 4.794 4.660 0.015 0.000 0.263 10 W C 2.202 178.619 176.519 -0.170 0.000 1.274 10 W CA 0.295 57.459 57.345 -0.301 0.000 1.343 10 W CB 0.072 29.049 29.460 -0.804 0.000 1.106 10 W HN 0.129 nan 8.180 nan 0.000 0.615 11 A N 0.294 123.201 122.820 0.145 0.000 2.119 11 A HA 0.156 4.484 4.320 0.013 0.000 0.217 11 A C 1.987 179.625 177.584 0.090 0.000 1.153 11 A CA 1.763 53.905 52.037 0.175 0.000 0.692 11 A CB -0.618 18.483 19.000 0.168 0.000 0.799 11 A HN 0.181 nan 8.150 nan 0.000 0.458 12 A N -1.016 121.820 122.820 0.028 0.000 1.993 12 A HA 0.169 4.497 4.320 0.013 0.000 0.207 12 A C 1.886 179.468 177.584 -0.004 0.000 1.224 12 A CA 0.714 52.752 52.037 0.001 0.000 0.749 12 A CB -0.034 18.945 19.000 -0.035 0.000 0.884 12 A HN 0.312 nan 8.150 nan 0.000 0.467 13 E N -0.370 119.811 120.200 -0.032 0.000 2.051 13 E HA -0.054 4.304 4.350 0.013 0.000 0.189 13 E C 0.459 177.111 176.600 0.086 0.000 0.979 13 E CA 1.480 57.874 56.400 -0.009 0.000 0.803 13 E CB -0.249 29.387 29.700 -0.107 0.000 0.761 13 E HN 0.342 nan 8.360 nan 0.000 0.451 14 T N 2.506 117.150 114.554 0.150 0.000 3.585 14 T HA 0.175 4.533 4.350 0.013 0.000 0.252 14 T C -2.106 172.694 174.700 0.165 0.000 1.382 14 T CA -1.781 60.414 62.100 0.158 0.000 1.584 14 T CB 0.693 69.673 68.868 0.187 0.000 0.892 14 T HN -0.140 nan 8.240 nan 0.000 0.671 15 P HA -0.053 nan 4.420 nan 0.000 0.216 15 P C 0.501 177.895 177.300 0.157 0.000 1.150 15 P CA 1.206 64.398 63.100 0.153 0.000 0.837 15 P CB 0.330 32.089 31.700 0.098 0.000 0.786 16 D N -1.155 119.320 120.400 0.125 0.000 2.340 16 D HA 0.021 4.669 4.640 0.013 0.000 0.220 16 D C 0.960 177.334 176.300 0.124 0.000 1.039 16 D CA 0.374 54.437 54.000 0.105 0.000 0.866 16 D CB -0.473 40.372 40.800 0.075 0.000 0.913 16 D HN 0.237 nan 8.370 nan 0.000 0.523 17 Q N 0.664 120.573 119.800 0.182 0.000 2.332 17 Q HA 0.110 4.458 4.340 0.013 0.000 0.263 17 Q C -0.442 175.688 176.000 0.216 0.000 0.979 17 Q CA 0.115 56.038 55.803 0.201 0.000 0.885 17 Q CB 0.625 29.503 28.738 0.233 0.000 1.218 17 Q HN -0.144 nan 8.270 nan 0.000 0.405 18 T N 4.100 118.732 114.554 0.130 0.000 2.799 18 T HA 0.321 4.679 4.350 0.013 0.000 0.296 18 T C 0.645 175.340 174.700 -0.007 0.000 0.947 18 T CA 0.289 62.420 62.100 0.052 0.000 1.141 18 T CB 0.861 69.757 68.868 0.047 0.000 0.891 18 T HN 0.721 nan 8.240 nan 0.000 0.533 19 A N 3.584 126.266 122.820 -0.230 0.000 1.997 19 A HA 0.460 4.788 4.320 0.013 0.000 0.212 19 A C 0.316 177.794 177.584 -0.176 0.000 1.178 19 A CA 0.279 51.963 52.037 -0.588 0.000 0.698 19 A CB 0.180 18.468 19.000 -1.187 0.000 0.842 19 A HN 0.709 nan 8.150 nan 0.000 0.458 20 F N -1.536 118.269 119.950 -0.241 0.000 2.635 20 F HA 0.518 5.051 4.527 0.010 0.000 0.314 20 F C -1.406 174.313 175.800 -0.135 0.000 1.119 20 F CA -0.893 57.007 58.000 -0.168 0.000 1.000 20 F CB 1.925 40.803 39.000 -0.203 0.000 1.278 20 F HN 0.002 nan 8.300 nan 0.000 0.446 21 V N 6.159 125.674 119.914 -0.666 0.000 2.686 21 V HA 0.671 4.799 4.120 0.013 0.000 0.306 21 V C -2.527 173.130 176.094 -0.728 0.000 1.065 21 V CA -0.380 61.608 62.300 -0.521 0.000 0.894 21 V CB 1.913 33.437 31.823 -0.498 0.000 1.004 21 V HN 0.831 nan 8.190 nan 0.000 0.424 22 W N 8.602 129.572 121.300 -0.550 0.000 2.687 22 W HA 0.745 5.401 4.660 -0.006 0.000 0.328 22 W C 0.384 176.706 176.519 -0.329 0.000 1.012 22 W CA -0.645 56.432 57.345 -0.445 0.000 1.262 22 W CB 1.139 30.528 29.460 -0.120 0.000 1.331 22 W HN 1.010 nan 8.180 nan 0.000 0.433 23 R N 1.977 121.976 120.500 -0.834 0.000 3.883 23 R HA -0.318 4.030 4.340 0.013 0.000 0.407 23 R C 0.760 176.762 176.300 -0.497 0.000 0.242 23 R CA 2.335 58.000 56.100 -0.725 0.000 1.306 23 R CB -1.136 28.548 30.300 -1.027 0.000 0.973 23 R HN 0.548 nan 8.270 nan 0.000 0.574 24 D N 0.748 120.889 120.400 -0.431 0.000 2.333 24 D HA 0.164 4.812 4.640 0.013 0.000 0.208 24 D C 0.207 176.398 176.300 -0.181 0.000 0.984 24 D CA 0.904 54.753 54.000 -0.251 0.000 0.873 24 D CB 0.144 40.828 40.800 -0.193 0.000 0.935 24 D HN 0.444 nan 8.370 nan 0.000 0.521 25 A N 1.870 124.584 122.820 -0.176 0.000 2.362 25 A HA 0.394 4.722 4.320 0.013 0.000 0.276 25 A C 0.378 177.967 177.584 0.007 0.000 1.153 25 A CA -0.171 51.858 52.037 -0.014 0.000 0.813 25 A CB 0.267 19.361 19.000 0.156 0.000 1.081 25 A HN 0.095 nan 8.150 nan 0.000 0.507 26 K N 2.260 122.664 120.400 0.006 0.000 2.532 26 K HA 0.759 5.087 4.320 0.013 0.000 0.265 26 K C -1.779 174.828 176.600 0.011 0.000 0.948 26 K CA -0.616 55.675 56.287 0.006 0.000 0.842 26 K CB 1.822 34.286 32.500 -0.059 0.000 1.392 26 K HN 0.553 nan 8.250 nan 0.000 0.436 27 I N 1.659 122.237 120.570 0.012 0.000 2.647 27 I HA 0.306 4.484 4.170 0.013 0.000 0.295 27 I C -0.397 175.683 176.117 -0.062 0.000 1.078 27 I CA -0.458 60.820 61.300 -0.036 0.000 1.048 27 I CB 2.582 40.535 38.000 -0.079 0.000 1.239 27 I HN 0.981 nan 8.210 nan 0.000 0.421 28 T N 2.216 116.742 114.554 -0.045 0.000 2.847 28 T HA 0.260 4.618 4.350 0.013 0.000 0.279 28 T C 0.894 175.570 174.700 -0.041 0.000 0.984 28 T CA 0.031 62.125 62.100 -0.011 0.000 0.988 28 T CB 0.739 69.639 68.868 0.053 0.000 1.040 28 T HN 0.534 nan 8.240 nan 0.000 0.528 29 Y N 0.213 120.539 120.300 0.043 0.000 2.274 29 Y HA -0.001 4.558 4.550 0.015 0.000 0.290 29 Y C 2.791 178.718 175.900 0.045 0.000 1.145 29 Y CA 1.697 59.833 58.100 0.061 0.000 1.203 29 Y CB -0.184 38.350 38.460 0.123 0.000 0.984 29 Y HN 0.696 nan 8.280 nan 0.000 0.533 30 K N 0.305 120.813 120.400 0.179 0.000 2.057 30 K HA -0.223 4.105 4.320 0.013 0.000 0.206 30 K C 1.888 178.509 176.600 0.035 0.000 1.050 30 K CA 1.725 58.073 56.287 0.102 0.000 0.935 30 K CB -0.076 32.472 32.500 0.080 0.000 0.715 30 K HN 0.378 nan 8.250 nan 0.000 0.439 31 Q N 0.335 120.135 119.800 -0.001 0.000 2.119 31 Q HA -0.155 4.193 4.340 0.013 0.000 0.201 31 Q C 2.132 178.065 176.000 -0.112 0.000 0.972 31 Q CA 1.146 56.911 55.803 -0.063 0.000 0.847 31 Q CB -0.172 28.521 28.738 -0.075 0.000 0.903 31 Q HN 0.243 nan 8.270 nan 0.000 0.433 32 L N 1.640 122.802 121.223 -0.103 0.000 2.012 32 L HA -0.221 4.127 4.340 0.013 0.000 0.210 32 L C 2.234 179.057 176.870 -0.077 0.000 1.073 32 L CA 1.964 56.721 54.840 -0.137 0.000 0.748 32 L CB -0.521 41.443 42.059 -0.158 0.000 0.891 32 L HN 0.053 nan 8.230 nan 0.000 0.431 33 K N -0.530 119.871 120.400 0.002 0.000 2.002 33 K HA -0.214 4.114 4.320 0.013 0.000 0.209 33 K C 1.964 178.565 176.600 0.001 0.000 1.048 33 K CA 1.932 58.240 56.287 0.035 0.000 0.930 33 K CB -0.204 32.342 32.500 0.076 0.000 0.714 33 K HN 0.524 nan 8.250 nan 0.000 0.438 34 E N 0.470 120.657 120.200 -0.022 0.000 2.038 34 E HA -0.204 4.154 4.350 0.013 0.000 0.195 34 E C 1.851 178.409 176.600 -0.069 0.000 1.000 34 E CA 1.673 58.053 56.400 -0.034 0.000 0.803 34 E CB -0.105 29.572 29.700 -0.040 0.000 0.750 34 E HN 0.387 nan 8.360 nan 0.000 0.448 35 D N 0.038 120.321 120.400 -0.195 0.000 2.117 35 D HA -0.108 4.540 4.640 0.013 0.000 0.198 35 D C 2.010 178.208 176.300 -0.169 0.000 0.982 35 D CA 0.796 54.567 54.000 -0.383 0.000 0.828 35 D CB -0.442 39.788 40.800 -0.949 0.000 0.967 35 D HN -0.040 nan 8.370 nan 0.000 0.464 36 S N 0.177 115.806 115.700 -0.120 0.000 2.370 36 S HA -0.169 4.309 4.470 0.013 0.000 0.226 36 S C 1.454 176.101 174.600 0.078 0.000 1.033 36 S CA 1.325 59.522 58.200 -0.005 0.000 1.011 36 S CB -0.131 63.063 63.200 -0.010 0.000 0.852 36 S HN 0.061 nan 8.310 nan 0.000 0.457 37 D N 1.100 121.543 120.400 0.071 0.000 2.117 37 D HA 0.032 4.680 4.640 0.013 0.000 0.198 37 D C 2.193 178.597 176.300 0.173 0.000 0.982 37 D CA 1.263 55.332 54.000 0.114 0.000 0.828 37 D CB -0.594 40.255 40.800 0.082 0.000 0.967 37 D HN 0.466 nan 8.370 nan 0.000 0.464 38 A N 0.841 123.761 122.820 0.166 0.000 1.902 38 A HA -0.108 4.220 4.320 0.013 0.000 0.217 38 A C 2.252 180.014 177.584 0.297 0.000 1.181 38 A CA 0.759 52.948 52.037 0.253 0.000 0.623 38 A CB -0.719 18.434 19.000 0.254 0.000 0.818 38 A HN 0.263 nan 8.150 nan 0.000 0.443 39 L N -0.706 120.689 121.223 0.286 0.000 2.017 39 L HA -0.171 4.177 4.340 0.013 0.000 0.208 39 L C 2.923 179.951 176.870 0.264 0.000 1.073 39 L CA 1.617 56.612 54.840 0.259 0.000 0.745 39 L CB -0.626 41.594 42.059 0.268 0.000 0.894 39 L HN 0.436 nan 8.230 nan 0.000 0.432 40 A N -1.068 121.885 122.820 0.221 0.000 1.908 40 A HA -0.317 4.011 4.320 0.013 0.000 0.218 40 A C 2.237 179.946 177.584 0.208 0.000 1.181 40 A CA 1.877 54.032 52.037 0.196 0.000 0.627 40 A CB -1.109 18.000 19.000 0.181 0.000 0.818 40 A HN 0.660 nan 8.150 nan 0.000 0.445 41 H N -2.530 116.634 119.070 0.156 0.000 2.353 41 H HA -0.209 4.355 4.556 0.013 0.000 0.300 41 H C 2.039 177.410 175.328 0.072 0.000 1.090 41 H CA 2.160 58.303 56.048 0.159 0.000 1.327 41 H CB -0.332 29.571 29.762 0.235 0.000 1.383 41 H HN 0.725 nan 8.280 nan 0.000 0.508 42 W N 1.537 122.726 121.300 -0.185 0.000 2.355 42 W HA -0.139 4.529 4.660 0.015 0.000 0.309 42 W C 2.397 178.813 176.519 -0.172 0.000 1.206 42 W CA 1.698 58.763 57.345 -0.466 0.000 1.284 42 W CB -0.597 28.534 29.460 -0.549 0.000 1.145 42 W HN 0.108 nan 8.180 nan 0.000 0.502 43 I N 0.323 120.951 120.570 0.098 0.000 2.163 43 I HA -0.400 3.778 4.170 0.013 0.000 0.243 43 I C 2.447 178.493 176.117 -0.118 0.000 1.085 43 I CA 1.894 63.169 61.300 -0.041 0.000 1.347 43 I CB -0.958 37.048 38.000 0.009 0.000 1.044 43 I HN -0.107 nan 8.210 nan 0.000 0.408 44 S N 0.495 116.143 115.700 -0.086 0.000 2.399 44 S HA -0.162 4.316 4.470 0.013 0.000 0.231 44 S C 2.138 176.625 174.600 -0.189 0.000 1.022 44 S CA 1.580 59.724 58.200 -0.094 0.000 0.983 44 S CB -0.360 62.816 63.200 -0.041 0.000 0.803 44 S HN 0.643 nan 8.310 nan 0.000 0.480 45 S N 1.576 117.096 115.700 -0.299 0.000 2.406 45 S HA 0.014 4.492 4.470 0.013 0.000 0.228 45 S C 1.600 175.963 174.600 -0.395 0.000 1.020 45 S CA 0.578 58.596 58.200 -0.304 0.000 0.965 45 S CB -0.223 62.828 63.200 -0.248 0.000 0.798 45 S HN 0.337 nan 8.310 nan 0.000 0.488 46 E N 0.336 120.170 120.200 -0.610 0.000 2.170 46 E HA 0.082 4.440 4.350 0.013 0.000 0.191 46 E C -0.354 175.687 176.600 -0.932 0.000 0.981 46 E CA 0.693 56.589 56.400 -0.840 0.000 0.830 46 E CB 0.013 28.959 29.700 -1.256 0.000 0.775 46 E HN 0.768 nan 8.360 nan 0.000 0.470 47 Y N 0.608 120.735 120.300 -0.288 0.000 2.470 47 Y HA 0.197 4.755 4.550 0.014 0.000 0.352 47 Y C -1.658 174.174 175.900 -0.113 0.000 0.967 47 Y CA -2.069 55.940 58.100 -0.151 0.000 1.121 47 Y CB 0.867 39.276 38.460 -0.086 0.000 1.149 47 Y HN -0.031 nan 8.280 nan 0.000 0.641 48 P HA -0.224 nan 4.420 nan 0.000 0.216 48 P C -0.180 177.073 177.300 -0.079 0.000 1.167 48 P CA 1.896 64.947 63.100 -0.082 0.000 0.933 48 P CB 0.432 32.081 31.700 -0.087 0.000 0.793 49 D N -0.737 119.634 120.400 -0.049 0.000 3.035 49 D HA 0.253 4.901 4.640 0.013 0.000 0.290 49 D C -0.515 175.762 176.300 -0.040 0.000 1.360 49 D CA -0.165 53.799 54.000 -0.059 0.000 0.862 49 D CB -0.299 40.475 40.800 -0.044 0.000 1.078 49 D HN 0.220 nan 8.370 nan 0.000 0.487 50 D N -0.397 119.997 120.400 -0.009 0.000 2.457 50 D HA 0.395 5.043 4.640 0.013 0.000 0.240 50 D C 0.213 176.419 176.300 -0.157 0.000 1.041 50 D CA -0.786 53.223 54.000 0.015 0.000 0.861 50 D CB 1.137 42.049 40.800 0.186 0.000 1.394 50 D HN -0.255 nan 8.370 nan 0.000 0.473 51 R N 1.878 122.217 120.500 -0.268 0.000 2.615 51 R HA 0.260 4.608 4.340 0.013 0.000 0.448 51 R C -0.469 175.639 176.300 -0.319 0.000 1.009 51 R CA -0.444 55.284 56.100 -0.620 0.000 1.111 51 R CB 0.198 30.262 30.300 -0.393 0.000 1.461 51 R HN 0.340 nan 8.270 nan 0.000 0.587 52 S N 3.483 119.141 115.700 -0.069 0.000 2.568 52 S HA 0.154 4.632 4.470 0.013 0.000 0.282 52 S C -2.048 172.612 174.600 0.100 0.000 1.338 52 S CA -0.498 57.714 58.200 0.019 0.000 1.045 52 S CB 0.515 63.729 63.200 0.023 0.000 0.873 52 S HN 0.151 nan 8.310 nan 0.000 0.516 53 P HA 0.230 nan 4.420 nan 0.000 0.269 53 P C -0.859 176.484 177.300 0.071 0.000 1.215 53 P CA -0.036 63.107 63.100 0.072 0.000 0.780 53 P CB 0.389 32.123 31.700 0.056 0.000 0.898 54 I N 2.277 122.900 120.570 0.088 0.000 2.436 54 I HA 0.310 4.488 4.170 0.013 0.000 0.289 54 I C 0.736 176.924 176.117 0.118 0.000 1.010 54 I CA -0.931 60.400 61.300 0.050 0.000 1.098 54 I CB 1.472 39.469 38.000 -0.005 0.000 1.266 54 I HN 0.136 nan 8.210 nan 0.000 0.434 55 M N 5.853 125.509 119.600 0.094 0.000 2.200 55 M HA 0.284 4.772 4.480 0.013 0.000 0.355 55 M C -0.727 175.674 176.300 0.169 0.000 1.283 55 M CA -0.236 55.145 55.300 0.136 0.000 1.124 55 M CB 0.994 33.644 32.600 0.083 0.000 1.625 55 M HN 0.247 nan 8.290 nan 0.000 0.463 56 V N 4.575 124.640 119.914 0.253 0.000 2.326 56 V HA 0.266 4.394 4.120 0.013 0.000 0.281 56 V C -1.125 175.134 176.094 0.275 0.000 1.015 56 V CA -0.697 61.753 62.300 0.251 0.000 0.823 56 V CB 0.754 32.799 31.823 0.370 0.000 1.009 56 V HN 0.630 nan 8.190 nan 0.000 0.436 57 Y N 4.177 124.513 120.300 0.060 0.000 2.330 57 Y HA 0.835 5.396 4.550 0.017 0.000 0.336 57 Y C 0.519 176.426 175.900 0.012 0.000 1.036 57 Y CA 0.747 58.873 58.100 0.044 0.000 1.125 57 Y CB 1.572 40.042 38.460 0.018 0.000 1.194 57 Y HN 0.820 nan 8.280 nan 0.000 0.469 58 G N 3.542 112.053 108.800 -0.482 0.000 2.368 58 G HA2 0.074 4.042 3.960 0.013 0.000 0.269 58 G HA3 0.074 4.042 3.960 0.013 0.000 0.269 58 G C -1.493 173.255 174.900 -0.254 0.000 1.291 58 G CA 0.021 44.877 45.100 -0.407 0.000 0.903 58 G HN 0.685 nan 8.290 nan 0.000 0.483 59 H N -1.157 117.703 119.070 -0.351 0.000 5.025 59 H HA 0.601 5.173 4.556 0.025 0.000 0.095 59 H C 1.517 176.583 175.328 -0.437 0.000 1.287 59 H CA 0.556 56.381 56.048 -0.372 0.000 0.619 59 H CB 0.323 29.854 29.762 -0.385 0.000 1.585 59 H HN 0.261 nan 8.280 nan 0.000 0.173 60 M N 1.682 120.752 119.600 -0.883 0.000 2.405 60 M HA 0.243 4.731 4.480 0.013 0.000 0.292 60 M C -0.465 175.356 176.300 -0.797 0.000 1.111 60 M CA -0.019 54.727 55.300 -0.923 0.000 0.979 60 M CB 0.039 31.897 32.600 -1.236 0.000 1.426 60 M HN 0.322 nan 8.290 nan 0.000 0.509 61 Q N 0.641 120.004 119.800 -0.727 0.000 2.361 61 Q HA 0.058 4.406 4.340 0.013 0.000 0.276 61 Q C -1.472 174.354 176.000 -0.289 0.000 1.022 61 Q CA -0.617 54.943 55.803 -0.406 0.000 0.898 61 Q CB 0.036 28.611 28.738 -0.272 0.000 1.246 61 Q HN 0.018 nan 8.270 nan 0.000 0.410 62 P HA -0.179 nan 4.420 nan 0.000 0.219 62 P C 0.151 177.152 177.300 -0.500 0.000 1.146 62 P CA 1.104 63.969 63.100 -0.391 0.000 0.808 62 P CB 0.362 32.055 31.700 -0.011 0.000 0.779 63 E N -1.604 118.414 120.200 -0.304 0.000 2.265 63 E HA -0.144 4.214 4.350 0.013 0.000 0.196 63 E C 1.885 178.220 176.600 -0.442 0.000 0.996 63 E CA 1.001 57.252 56.400 -0.248 0.000 0.832 63 E CB -0.713 28.945 29.700 -0.070 0.000 0.756 63 E HN 0.178 nan 8.360 nan 0.000 0.491 64 M N -0.046 119.180 119.600 -0.623 0.000 2.065 64 M HA -0.154 4.334 4.480 0.013 0.000 0.259 64 M C 1.946 177.284 176.300 -1.603 0.000 1.069 64 M CA 1.282 55.991 55.300 -0.985 0.000 1.110 64 M CB -0.669 31.417 32.600 -0.857 0.000 1.328 64 M HN 0.156 nan 8.290 nan 0.000 0.405 65 I N -0.107 119.643 120.570 -1.366 0.000 2.315 65 I HA -0.219 3.959 4.170 0.013 0.000 0.248 65 I C 2.503 178.237 176.117 -0.639 0.000 1.117 65 I CA 1.226 61.866 61.300 -1.099 0.000 1.404 65 I CB -1.208 36.228 38.000 -0.940 0.000 1.071 65 I HN 0.258 nan 8.210 nan 0.000 0.419 66 I N 1.184 121.442 120.570 -0.520 0.000 2.226 66 I HA -0.303 3.875 4.170 0.013 0.000 0.245 66 I C 2.142 178.144 176.117 -0.193 0.000 1.100 66 I CA 1.252 62.370 61.300 -0.302 0.000 1.374 66 I CB -0.472 37.356 38.000 -0.286 0.000 1.057 66 I HN 0.260 nan 8.210 nan 0.000 0.413 67 N N 0.602 119.154 118.700 -0.248 0.000 2.244 67 N HA -0.128 4.620 4.740 0.013 0.000 0.183 67 N C 1.729 177.192 175.510 -0.078 0.000 1.016 67 N CA 1.206 54.181 53.050 -0.125 0.000 0.866 67 N CB -0.345 38.056 38.487 -0.142 0.000 0.980 67 N HN 0.180 nan 8.380 nan 0.000 0.430 68 F N 1.054 120.744 119.950 -0.435 0.000 2.069 68 F HA -0.066 4.468 4.527 0.012 0.000 0.298 68 F C 2.066 177.658 175.800 -0.347 0.000 1.113 68 F CA 0.489 58.027 58.000 -0.769 0.000 1.214 68 F CB -1.021 37.342 39.000 -1.062 0.000 0.978 68 F HN -0.041 nan 8.300 nan 0.000 0.474 69 L N 0.048 121.283 121.223 0.019 0.000 2.093 69 L HA -0.057 4.291 4.340 0.013 0.000 0.208 69 L C 2.777 179.691 176.870 0.074 0.000 1.085 69 L CA 1.813 56.702 54.840 0.082 0.000 0.755 69 L CB -1.882 40.224 42.059 0.079 0.000 0.904 69 L HN 0.190 nan 8.230 nan 0.000 0.435 70 G N -1.522 107.311 108.800 0.055 0.000 2.440 70 G HA2 -0.259 3.709 3.960 0.013 0.000 0.218 70 G HA3 -0.259 3.709 3.960 0.013 0.000 0.218 70 G C 1.712 176.671 174.900 0.100 0.000 1.154 70 G CA 1.077 46.232 45.100 0.092 0.000 0.767 70 G HN 0.452 nan 8.290 nan 0.000 0.552 71 C N 0.366 119.719 119.300 0.088 0.000 2.436 71 C HA -0.044 4.424 4.460 0.013 0.000 0.277 71 C C 3.247 178.305 174.990 0.112 0.000 1.241 71 C CA 1.182 60.265 59.018 0.107 0.000 1.721 71 C CB -0.992 26.847 27.740 0.165 0.000 2.043 71 C HN 0.430 nan 8.230 nan 0.000 0.472 72 V N 0.069 120.004 119.914 0.036 0.000 2.515 72 V HA -0.164 3.964 4.120 0.013 0.000 0.250 72 V C 2.140 178.258 176.094 0.040 0.000 1.058 72 V CA 1.886 64.140 62.300 -0.076 0.000 1.064 72 V CB -0.918 30.661 31.823 -0.407 0.000 0.675 72 V HN 0.523 nan 8.190 nan 0.000 0.461 73 K N 1.355 121.811 120.400 0.093 0.000 2.147 73 K HA 0.046 4.374 4.320 0.013 0.000 0.205 73 K C 2.118 178.811 176.600 0.154 0.000 1.049 73 K CA 1.512 57.875 56.287 0.126 0.000 0.936 73 K CB -0.399 32.181 32.500 0.134 0.000 0.722 73 K HN 0.605 nan 8.250 nan 0.000 0.446 74 A N 0.115 123.036 122.820 0.168 0.000 2.251 74 A HA 0.217 4.545 4.320 0.013 0.000 0.209 74 A C 1.297 178.996 177.584 0.192 0.000 1.187 74 A CA 0.730 52.893 52.037 0.210 0.000 0.823 74 A CB -0.153 18.977 19.000 0.217 0.000 0.846 74 A HN 0.397 nan 8.150 nan 0.000 0.486 75 G N -1.209 107.659 108.800 0.114 0.000 2.141 75 G HA2 -0.225 3.743 3.960 0.013 0.000 0.242 75 G HA3 -0.225 3.743 3.960 0.013 0.000 0.242 75 G C -0.145 174.673 174.900 -0.137 0.000 0.982 75 G CA 0.400 45.486 45.100 -0.025 0.000 0.662 75 G HN 0.724 nan 8.290 nan 0.000 0.527 76 H N 0.488 119.528 119.070 -0.050 0.000 2.459 76 H HA 0.710 5.274 4.556 0.013 0.000 0.332 76 H C 0.681 175.972 175.328 -0.061 0.000 1.094 76 H CA 0.339 56.354 56.048 -0.055 0.000 1.224 76 H CB 1.621 31.355 29.762 -0.048 0.000 1.449 76 H HN 0.556 nan 8.280 nan 0.000 0.484 77 A N 2.944 125.773 122.820 0.015 0.000 2.351 77 A HA 0.415 4.743 4.320 0.013 0.000 0.257 77 A C -0.803 176.799 177.584 0.030 0.000 1.087 77 A CA -0.453 51.540 52.037 -0.074 0.000 0.798 77 A CB -0.192 18.744 19.000 -0.107 0.000 1.033 77 A HN 0.753 nan 8.150 nan 0.000 0.488 78 Y N -0.998 119.298 120.300 -0.006 0.000 2.457 78 Y HA 0.772 5.329 4.550 0.012 0.000 0.333 78 Y C -0.665 175.269 175.900 0.057 0.000 1.119 78 Y CA -1.665 56.452 58.100 0.027 0.000 1.143 78 Y CB 0.960 39.428 38.460 0.013 0.000 1.230 78 Y HN 0.380 nan 8.280 nan 0.000 0.469 79 I N 3.846 124.565 120.570 0.249 0.000 2.405 79 I HA 0.349 4.527 4.170 0.013 0.000 0.280 79 I C -2.665 173.634 176.117 0.302 0.000 1.027 79 I CA -2.350 59.084 61.300 0.224 0.000 1.161 79 I CB 1.624 39.758 38.000 0.224 0.000 1.300 79 I HN 0.393 nan 8.210 nan 0.000 0.463 80 P HA 0.111 nan 4.420 nan 0.000 0.271 80 P C -0.732 176.744 177.300 0.293 0.000 1.226 80 P CA -0.058 63.261 63.100 0.364 0.000 0.765 80 P CB 0.834 32.712 31.700 0.296 0.000 0.835 81 V N 3.745 123.829 119.914 0.282 0.000 2.398 81 V HA 0.189 4.317 4.120 0.013 0.000 0.282 81 V C 0.104 176.276 176.094 0.130 0.000 1.014 81 V CA -0.588 61.844 62.300 0.220 0.000 0.838 81 V CB 1.223 33.213 31.823 0.278 0.000 1.018 81 V HN 0.440 nan 8.190 nan 0.000 0.432 82 D N 2.564 123.020 120.400 0.093 0.000 2.357 82 D HA 0.230 4.878 4.640 0.013 0.000 0.242 82 D C 1.245 177.485 176.300 -0.101 0.000 1.153 82 D CA -0.065 53.936 54.000 0.002 0.000 0.918 82 D CB 1.173 42.000 40.800 0.046 0.000 1.181 82 D HN 0.386 nan 8.370 nan 0.000 0.435 83 L N 1.386 122.477 121.223 -0.221 0.000 2.191 83 L HA -0.128 4.220 4.340 0.013 0.000 0.212 83 L C 2.150 178.958 176.870 -0.102 0.000 1.103 83 L CA 0.627 55.316 54.840 -0.251 0.000 0.769 83 L CB -0.333 41.545 42.059 -0.303 0.000 0.908 83 L HN 0.360 nan 8.230 nan 0.000 0.438 84 S N -0.383 115.262 115.700 -0.092 0.000 2.453 84 S HA 0.093 4.571 4.470 0.013 0.000 0.231 84 S C 1.018 175.613 174.600 -0.009 0.000 1.005 84 S CA 0.175 58.342 58.200 -0.056 0.000 0.949 84 S CB -0.174 62.991 63.200 -0.059 0.000 0.774 84 S HN 0.184 nan 8.310 nan 0.000 0.510 85 I N 3.185 123.766 120.570 0.018 0.000 2.598 85 I HA 0.080 4.258 4.170 0.013 0.000 0.284 85 I C -2.294 173.847 176.117 0.041 0.000 1.140 85 I CA -1.907 59.415 61.300 0.037 0.000 1.420 85 I CB 0.253 38.289 38.000 0.060 0.000 1.387 85 I HN -0.039 nan 8.210 nan 0.000 0.553 86 P HA -0.039 nan 4.420 nan 0.000 0.265 86 P C 0.446 177.757 177.300 0.018 0.000 1.187 86 P CA 0.067 63.178 63.100 0.018 0.000 0.766 86 P CB 0.818 32.523 31.700 0.009 0.000 0.820 87 A N 4.266 127.096 122.820 0.017 0.000 1.903 87 A HA -0.273 4.055 4.320 0.013 0.000 0.219 87 A C 1.897 179.474 177.584 -0.012 0.000 1.191 87 A CA 2.269 54.309 52.037 0.004 0.000 0.638 87 A CB -1.326 17.673 19.000 -0.001 0.000 0.823 87 A HN 0.715 nan 8.150 nan 0.000 0.451 88 D N -1.175 119.219 120.400 -0.010 0.000 2.149 88 D HA -0.226 4.422 4.640 0.013 0.000 0.198 88 D C 1.928 178.213 176.300 -0.025 0.000 0.990 88 D CA 1.256 55.247 54.000 -0.016 0.000 0.839 88 D CB -0.465 40.329 40.800 -0.009 0.000 0.948 88 D HN 0.271 nan 8.370 nan 0.000 0.460 89 R N 0.792 121.279 120.500 -0.022 0.000 2.066 89 R HA -0.020 4.328 4.340 0.013 0.000 0.232 89 R C 2.587 178.843 176.300 -0.075 0.000 1.131 89 R CA 0.560 56.638 56.100 -0.038 0.000 0.955 89 R CB -0.900 29.390 30.300 -0.017 0.000 0.851 89 R HN 0.199 nan 8.270 nan 0.000 0.432 90 V N 1.546 121.431 119.914 -0.049 0.000 2.407 90 V HA -0.255 3.873 4.120 0.013 0.000 0.248 90 V C 2.379 178.422 176.094 -0.086 0.000 1.055 90 V CA 1.767 64.030 62.300 -0.061 0.000 1.049 90 V CB -0.469 31.343 31.823 -0.018 0.000 0.662 90 V HN 0.396 nan 8.190 nan 0.000 0.455 91 Q N -0.374 119.387 119.800 -0.066 0.000 2.119 91 Q HA -0.178 4.170 4.340 0.013 0.000 0.201 91 Q C 2.473 178.434 176.000 -0.064 0.000 0.972 91 Q CA 1.379 57.146 55.803 -0.060 0.000 0.847 91 Q CB -0.208 28.504 28.738 -0.043 0.000 0.903 91 Q HN 0.590 nan 8.270 nan 0.000 0.433 92 R N 0.447 120.904 120.500 -0.072 0.000 2.066 92 R HA -0.061 4.287 4.340 0.013 0.000 0.232 92 R C 2.283 178.513 176.300 -0.118 0.000 1.131 92 R CA 1.185 57.244 56.100 -0.068 0.000 0.955 92 R CB -0.273 29.995 30.300 -0.053 0.000 0.851 92 R HN 0.224 nan 8.270 nan 0.000 0.432 93 I N 0.699 121.127 120.570 -0.236 0.000 2.163 93 I HA -0.318 3.860 4.170 0.013 0.000 0.243 93 I C 2.592 178.598 176.117 -0.186 0.000 1.085 93 I CA 1.401 62.446 61.300 -0.426 0.000 1.347 93 I CB -0.496 37.146 38.000 -0.597 0.000 1.044 93 I HN 0.241 nan 8.210 nan 0.000 0.408 94 A N 0.523 123.272 122.820 -0.118 0.000 1.908 94 A HA -0.246 4.082 4.320 0.013 0.000 0.218 94 A C 2.219 179.786 177.584 -0.028 0.000 1.181 94 A CA 1.948 53.950 52.037 -0.058 0.000 0.627 94 A CB -0.593 18.374 19.000 -0.055 0.000 0.818 94 A HN 0.499 nan 8.150 nan 0.000 0.445 95 E N -0.678 119.505 120.200 -0.028 0.000 2.112 95 E HA -0.145 4.213 4.350 0.013 0.000 0.190 95 E C 2.027 178.637 176.600 0.016 0.000 0.979 95 E CA 0.811 57.208 56.400 -0.006 0.000 0.814 95 E CB -0.248 29.447 29.700 -0.008 0.000 0.762 95 E HN 0.715 nan 8.360 nan 0.000 0.460 96 N N 1.308 120.024 118.700 0.026 0.000 2.135 96 N HA -0.141 4.607 4.740 0.013 0.000 0.186 96 N C 1.927 177.502 175.510 0.109 0.000 1.027 96 N CA 1.720 54.817 53.050 0.078 0.000 0.849 96 N CB 0.048 38.616 38.487 0.134 0.000 1.002 96 N HN 0.079 nan 8.380 nan 0.000 0.425 97 S N -0.656 115.120 115.700 0.127 0.000 2.447 97 S HA 0.062 4.540 4.470 0.013 0.000 0.233 97 S C 1.549 176.194 174.600 0.075 0.000 1.006 97 S CA 1.220 59.507 58.200 0.145 0.000 0.957 97 S CB -0.745 62.554 63.200 0.165 0.000 0.773 97 S HN 0.596 nan 8.310 nan 0.000 0.507 98 G N 1.033 109.861 108.800 0.047 0.000 2.160 98 G HA2 -0.076 3.892 3.960 0.013 0.000 0.251 98 G HA3 -0.076 3.892 3.960 0.013 0.000 0.251 98 G C 0.207 175.121 174.900 0.024 0.000 1.008 98 G CA 0.109 45.227 45.100 0.030 0.000 0.724 98 G HN 1.318 nan 8.290 nan 0.000 0.514 99 A N -0.646 122.188 122.820 0.025 0.000 2.445 99 A HA 0.671 4.999 4.320 0.013 0.000 0.242 99 A C 1.168 178.750 177.584 -0.003 0.000 1.075 99 A CA 1.035 53.078 52.037 0.011 0.000 0.777 99 A CB 0.374 19.384 19.000 0.016 0.000 1.013 99 A HN 0.453 nan 8.150 nan 0.000 0.493 100 K N 0.074 120.455 120.400 -0.033 0.000 2.380 100 K HA 0.274 4.602 4.320 0.013 0.000 0.198 100 K C -0.547 176.042 176.600 -0.019 0.000 1.070 100 K CA 0.068 56.349 56.287 -0.010 0.000 1.040 100 K CB 0.423 32.930 32.500 0.013 0.000 0.903 100 K HN 0.545 nan 8.250 nan 0.000 0.549 101 L N 0.614 121.789 121.223 -0.080 0.000 2.409 101 L HA 0.552 4.900 4.340 0.013 0.000 0.262 101 L C -2.006 174.853 176.870 -0.017 0.000 0.992 101 L CA -0.831 53.982 54.840 -0.045 0.000 0.817 101 L CB 2.110 44.081 42.059 -0.147 0.000 1.350 101 L HN -0.045 nan 8.230 nan 0.000 0.411 102 L N 4.609 125.837 121.223 0.008 0.000 2.438 102 L HA 0.648 4.996 4.340 0.013 0.000 0.270 102 L C -1.877 174.999 176.870 0.011 0.000 0.972 102 L CA -0.475 54.371 54.840 0.010 0.000 0.831 102 L CB 1.677 43.721 42.059 -0.025 0.000 1.273 102 L HN 0.639 nan 8.230 nan 0.000 0.405 103 L N 4.543 125.782 121.223 0.027 0.000 2.313 103 L HA 0.686 5.034 4.340 0.013 0.000 0.283 103 L C -0.409 176.479 176.870 0.030 0.000 1.013 103 L CA -0.400 54.434 54.840 -0.010 0.000 0.816 103 L CB 1.977 44.016 42.059 -0.032 0.000 1.236 103 L HN 0.718 nan 8.230 nan 0.000 0.419 104 S N 0.957 116.662 115.700 0.009 0.000 2.540 104 S HA 0.667 5.145 4.470 0.013 0.000 0.275 104 S C 0.159 174.756 174.600 -0.006 0.000 1.123 104 S CA -0.165 58.076 58.200 0.068 0.000 0.907 104 S CB 2.041 65.388 63.200 0.246 0.000 1.081 104 S HN 0.638 nan 8.310 nan 0.000 0.476 105 A N 1.812 124.619 122.820 -0.022 0.000 1.935 105 A HA 0.308 4.636 4.320 0.013 0.000 0.214 105 A C 1.397 178.980 177.584 -0.003 0.000 1.178 105 A CA 1.392 53.410 52.037 -0.031 0.000 0.640 105 A CB -0.777 18.197 19.000 -0.043 0.000 0.825 105 A HN 0.868 nan 8.150 nan 0.000 0.447 106 T N -1.102 113.461 114.554 0.014 0.000 2.852 106 T HA 0.558 4.916 4.350 0.013 0.000 0.281 106 T C 0.186 174.939 174.700 0.088 0.000 0.993 106 T CA -0.033 62.090 62.100 0.039 0.000 0.933 106 T CB 0.765 69.639 68.868 0.010 0.000 1.187 106 T HN 0.563 nan 8.240 nan 0.000 0.559 107 A N 1.363 124.237 122.820 0.090 0.000 2.409 107 A HA 0.464 4.792 4.320 0.013 0.000 0.267 107 A C 0.148 177.838 177.584 0.177 0.000 1.127 107 A CA -0.416 51.677 52.037 0.093 0.000 0.795 107 A CB 0.006 19.040 19.000 0.057 0.000 1.061 107 A HN 0.733 nan 8.150 nan 0.000 0.502 108 V N 4.168 124.135 119.914 0.088 0.000 2.387 108 V HA 0.197 4.325 4.120 0.013 0.000 0.260 108 V C 1.272 177.332 176.094 -0.057 0.000 1.054 108 V CA 1.025 63.285 62.300 -0.067 0.000 0.967 108 V CB 0.604 32.243 31.823 -0.306 0.000 1.036 108 V HN 1.061 nan 8.190 nan 0.000 0.481 109 T N 4.938 119.510 114.554 0.030 0.000 3.081 109 T HA 0.023 4.381 4.350 0.013 0.000 0.255 109 T C 0.738 175.425 174.700 -0.022 0.000 1.113 109 T CA 0.901 63.015 62.100 0.024 0.000 1.082 109 T CB -0.023 68.890 68.868 0.076 0.000 0.939 109 T HN 0.556 nan 8.240 nan 0.000 0.506 110 V N 3.300 123.162 119.914 -0.087 0.000 2.521 110 V HA 0.254 4.382 4.120 0.013 0.000 0.286 110 V C 0.235 176.279 176.094 -0.083 0.000 1.034 110 V CA -0.182 62.068 62.300 -0.084 0.000 1.045 110 V CB 0.300 32.048 31.823 -0.125 0.000 0.974 110 V HN 0.448 nan 8.190 nan 0.000 0.480 111 T N 7.618 122.142 114.554 -0.050 0.000 2.891 111 T HA -0.033 4.325 4.350 0.013 0.000 0.296 111 T C 0.120 174.789 174.700 -0.051 0.000 1.025 111 T CA 0.598 62.672 62.100 -0.042 0.000 1.149 111 T CB -0.495 68.356 68.868 -0.028 0.000 1.007 111 T HN 1.002 nan 8.240 nan 0.000 0.528 112 D N 2.765 123.137 120.400 -0.047 0.000 5.010 112 D HA -0.190 4.458 4.640 0.013 0.000 0.147 112 D C -0.230 176.042 176.300 -0.047 0.000 1.020 112 D CA 0.614 54.587 54.000 -0.045 0.000 0.651 112 D CB 0.095 40.877 40.800 -0.030 0.000 1.217 112 D HN 0.384 nan 8.370 nan 0.000 0.663 113 L N 3.067 124.257 121.223 -0.055 0.000 2.330 113 L HA 0.347 4.695 4.340 0.013 0.000 0.271 113 L C -1.515 175.335 176.870 -0.033 0.000 1.013 113 L CA -2.038 52.771 54.840 -0.052 0.000 0.816 113 L CB 1.857 43.871 42.059 -0.075 0.000 1.287 113 L HN 0.276 nan 8.230 nan 0.000 0.435 114 P HA 0.097 nan 4.420 nan 0.000 0.237 114 P C -0.687 176.610 177.300 -0.005 0.000 1.723 114 P CA 0.259 63.353 63.100 -0.011 0.000 0.882 114 P CB 0.425 32.120 31.700 -0.008 0.000 1.810 115 V N 0.093 120.002 119.914 -0.008 0.000 2.971 115 V HA 0.356 4.484 4.120 0.013 0.000 0.309 115 V C -0.376 175.726 176.094 0.014 0.000 1.130 115 V CA -1.370 60.932 62.300 0.003 0.000 0.964 115 V CB 3.139 34.954 31.823 -0.013 0.000 1.029 115 V HN 0.079 nan 8.190 nan 0.000 0.427 116 R N 5.145 125.673 120.500 0.046 0.000 2.351 116 R HA 0.387 4.735 4.340 0.013 0.000 0.318 116 R C -0.809 175.523 176.300 0.053 0.000 1.055 116 R CA -0.132 56.010 56.100 0.070 0.000 0.968 116 R CB 0.161 30.547 30.300 0.143 0.000 0.974 116 R HN 0.680 nan 8.270 nan 0.000 0.439 117 I N 5.394 125.978 120.570 0.023 0.000 2.325 117 I HA 0.151 4.329 4.170 0.013 0.000 0.291 117 I C -0.378 175.738 176.117 -0.001 0.000 1.019 117 I CA -0.729 60.567 61.300 -0.007 0.000 1.302 117 I CB 1.759 39.733 38.000 -0.043 0.000 1.401 117 I HN 0.296 nan 8.210 nan 0.000 0.485 118 V N 6.043 125.946 119.914 -0.019 0.000 2.326 118 V HA 0.407 4.535 4.120 0.013 0.000 0.281 118 V C -0.111 175.920 176.094 -0.105 0.000 1.015 118 V CA -0.084 62.171 62.300 -0.075 0.000 0.823 118 V CB 1.189 32.929 31.823 -0.137 0.000 1.009 118 V HN 0.799 nan 8.190 nan 0.000 0.436 119 S N 2.800 118.443 115.700 -0.095 0.000 2.627 119 S HA 0.655 5.133 4.470 0.013 0.000 0.283 119 S C 0.077 174.626 174.600 -0.086 0.000 1.127 119 S CA -0.791 57.363 58.200 -0.077 0.000 0.863 119 S CB 2.294 65.474 63.200 -0.033 0.000 1.121 119 S HN 0.896 nan 8.310 nan 0.000 0.479 120 E N 0.607 120.768 120.200 -0.065 0.000 3.365 120 E HA -0.338 4.020 4.350 0.013 0.000 0.433 120 E C 0.137 176.683 176.600 -0.090 0.000 1.581 120 E CA 1.748 58.115 56.400 -0.055 0.000 1.316 120 E CB -1.008 28.676 29.700 -0.027 0.000 1.452 120 E HN 0.693 nan 8.360 nan 0.000 0.452 121 D N 0.441 120.798 120.400 -0.073 0.000 2.182 121 D HA -0.075 4.573 4.640 0.013 0.000 0.201 121 D C 1.596 177.822 176.300 -0.124 0.000 0.986 121 D CA 1.443 55.394 54.000 -0.082 0.000 0.847 121 D CB -0.502 40.264 40.800 -0.058 0.000 0.942 121 D HN 0.199 nan 8.370 nan 0.000 0.467 122 N N -0.083 118.535 118.700 -0.137 0.000 2.166 122 N HA -0.096 4.652 4.740 0.013 0.000 0.186 122 N C 1.577 176.887 175.510 -0.333 0.000 1.019 122 N CA 0.287 53.228 53.050 -0.182 0.000 0.856 122 N CB -0.180 38.220 38.487 -0.146 0.000 0.993 122 N HN 0.118 nan 8.380 nan 0.000 0.426 123 L N 1.177 122.175 121.223 -0.374 0.000 2.072 123 L HA -0.022 4.326 4.340 0.013 0.000 0.205 123 L C 1.668 178.066 176.870 -0.787 0.000 1.079 123 L CA 1.689 56.156 54.840 -0.621 0.000 0.752 123 L CB -0.297 41.462 42.059 -0.500 0.000 0.906 123 L HN -0.002 nan 8.230 nan 0.000 0.436 124 K N -0.392 119.755 120.400 -0.422 0.000 2.063 124 K HA -0.184 4.144 4.320 0.013 0.000 0.208 124 K C 1.736 178.265 176.600 -0.119 0.000 1.048 124 K CA 1.599 57.765 56.287 -0.203 0.000 0.928 124 K CB -0.317 32.154 32.500 -0.050 0.000 0.713 124 K HN 0.398 nan 8.250 nan 0.000 0.442 125 D N 0.992 121.309 120.400 -0.138 0.000 2.144 125 D HA -0.165 4.483 4.640 0.013 0.000 0.199 125 D C 1.864 178.172 176.300 0.013 0.000 0.984 125 D CA 1.017 55.017 54.000 -0.000 0.000 0.834 125 D CB -0.217 40.570 40.800 -0.022 0.000 0.955 125 D HN 0.291 nan 8.370 nan 0.000 0.465 126 I N -1.487 118.922 120.570 -0.268 0.000 2.315 126 I HA -0.140 4.038 4.170 0.013 0.000 0.248 126 I C 2.083 178.225 176.117 0.042 0.000 1.117 126 I CA 1.208 62.348 61.300 -0.266 0.000 1.404 126 I CB -0.680 36.782 38.000 -0.897 0.000 1.071 126 I HN -0.119 nan 8.210 nan 0.000 0.419 127 F N -0.109 119.835 119.950 -0.009 0.000 2.171 127 F HA -0.165 4.369 4.527 0.012 0.000 0.300 127 F C 2.275 178.138 175.800 0.104 0.000 1.090 127 F CA 1.376 59.399 58.000 0.038 0.000 1.293 127 F CB -0.434 38.577 39.000 0.018 0.000 1.013 127 F HN 0.260 nan 8.300 nan 0.000 0.486 128 F N 0.785 120.846 119.950 0.185 0.000 2.118 128 F HA -0.134 4.401 4.527 0.013 0.000 0.293 128 F C 2.418 178.279 175.800 0.102 0.000 1.102 128 F CA 1.649 59.717 58.000 0.113 0.000 1.247 128 F CB -0.843 38.197 39.000 0.068 0.000 1.017 128 F HN -0.290 nan 8.300 nan 0.000 0.475 129 T N -0.907 113.637 114.554 -0.016 0.000 2.759 129 T HA -0.243 4.115 4.350 0.013 0.000 0.269 129 T C 0.859 175.476 174.700 -0.138 0.000 1.042 129 T CA 2.069 64.106 62.100 -0.106 0.000 1.140 129 T CB -0.500 68.489 68.868 0.200 0.000 0.864 129 T HN 0.366 nan 8.240 nan 0.000 0.455 130 H N 0.132 119.200 119.070 -0.005 0.000 2.505 130 H HA 0.365 4.929 4.556 0.014 0.000 0.286 130 H C 0.386 175.691 175.328 -0.039 0.000 1.072 130 H CA -0.389 55.672 56.048 0.022 0.000 1.141 130 H CB 0.140 30.020 29.762 0.198 0.000 1.550 130 H HN 0.189 nan 8.280 nan 0.000 0.547 131 K N 0.536 120.929 120.400 -0.010 0.000 2.472 131 K HA 0.129 4.457 4.320 0.013 0.000 0.280 131 K C 0.966 177.527 176.600 -0.066 0.000 1.028 131 K CA 1.102 57.376 56.287 -0.022 0.000 1.045 131 K CB 0.028 32.495 32.500 -0.056 0.000 0.902 131 K HN 0.540 nan 8.250 nan 0.000 0.478 132 G N 2.976 111.752 108.800 -0.040 0.000 2.258 132 G HA2 -0.241 3.727 3.960 0.013 0.000 0.233 132 G HA3 -0.241 3.727 3.960 0.013 0.000 0.233 132 G C -0.081 174.770 174.900 -0.080 0.000 1.006 132 G CA -0.124 44.942 45.100 -0.056 0.000 0.620 132 G HN 0.681 nan 8.290 nan 0.000 0.511 133 N N 1.675 120.295 118.700 -0.134 0.000 2.503 133 N HA 0.520 5.268 4.740 0.013 0.000 0.267 133 N C 0.335 175.786 175.510 -0.098 0.000 1.214 133 N CA 1.187 54.077 53.050 -0.268 0.000 0.959 133 N CB 1.170 39.209 38.487 -0.747 0.000 1.142 133 N HN 0.705 nan 8.380 nan 0.000 0.455 134 T N -2.240 112.298 114.554 -0.027 0.000 2.900 134 T HA 0.567 4.925 4.350 0.013 0.000 0.295 134 T C -2.855 171.990 174.700 0.242 0.000 1.044 134 T CA -1.616 60.546 62.100 0.105 0.000 0.995 134 T CB 2.351 71.257 68.868 0.064 0.000 1.072 134 T HN 0.241 nan 8.240 nan 0.000 0.473 135 P HA 0.283 nan 4.420 nan 0.000 0.282 135 P C -0.622 176.749 177.300 0.117 0.000 1.259 135 P CA -0.704 62.531 63.100 0.224 0.000 0.826 135 P CB 0.752 32.580 31.700 0.212 0.000 1.064 136 N N 2.265 120.992 118.700 0.046 0.000 2.411 136 N HA -0.005 4.743 4.740 0.013 0.000 0.265 136 N C -1.468 173.964 175.510 -0.131 0.000 1.266 136 N CA -1.171 51.787 53.050 -0.154 0.000 0.889 136 N CB 0.023 38.167 38.487 -0.572 0.000 1.069 136 N HN 0.175 nan 8.380 nan 0.000 0.476 137 P HA -0.148 nan 4.420 nan 0.000 0.217 137 P C 0.712 177.981 177.300 -0.051 0.000 1.148 137 P CA 1.126 64.206 63.100 -0.034 0.000 0.828 137 P CB 0.326 32.010 31.700 -0.027 0.000 0.783 138 E N -1.696 118.431 120.200 -0.122 0.000 2.482 138 E HA -0.154 4.204 4.350 0.013 0.000 0.196 138 E C 1.360 177.960 176.600 0.000 0.000 1.047 138 E CA 0.813 57.161 56.400 -0.087 0.000 0.869 138 E CB -0.646 28.990 29.700 -0.106 0.000 0.836 138 E HN 0.317 nan 8.360 nan 0.000 0.520 139 H N -0.203 118.866 119.070 -0.002 0.000 2.535 139 H HA 0.337 4.901 4.556 0.013 0.000 0.273 139 H C 0.346 175.670 175.328 -0.007 0.000 0.983 139 H CA 0.574 56.620 56.048 -0.004 0.000 1.238 139 H CB -0.564 29.210 29.762 0.021 0.000 1.412 139 H HN 0.183 nan 8.280 nan 0.000 0.562 140 A N 1.931 124.819 122.820 0.113 0.000 2.567 140 A HA 0.208 4.536 4.320 0.013 0.000 0.240 140 A C 0.898 178.486 177.584 0.007 0.000 1.053 140 A CA 0.125 52.202 52.037 0.065 0.000 0.755 140 A CB -0.264 18.769 19.000 0.055 0.000 0.978 140 A HN 0.220 nan 8.150 nan 0.000 0.507 141 V N 1.410 121.332 119.914 0.014 0.000 2.694 141 V HA 0.425 4.553 4.120 0.013 0.000 0.306 141 V C 0.035 176.070 176.094 -0.097 0.000 1.054 141 V CA 0.528 62.827 62.300 -0.001 0.000 1.161 141 V CB -0.263 31.588 31.823 0.046 0.000 0.916 141 V HN 1.134 nan 8.190 nan 0.000 0.490 142 K N 3.045 123.348 120.400 -0.161 0.000 2.499 142 K HA 0.822 5.150 4.320 0.013 0.000 0.277 142 K C 0.599 177.104 176.600 -0.159 0.000 1.025 142 K CA -0.465 55.565 56.287 -0.429 0.000 0.900 142 K CB 1.328 33.611 32.500 -0.362 0.000 1.494 142 K HN 1.598 nan 8.250 nan 0.000 0.442 143 G N 1.358 110.083 108.800 -0.125 0.000 2.690 143 G HA2 -0.339 3.629 3.960 0.013 0.000 0.334 143 G HA3 -0.339 3.629 3.960 0.013 0.000 0.334 143 G C 0.014 174.974 174.900 0.099 0.000 1.250 143 G CA 0.936 46.068 45.100 0.052 0.000 0.994 143 G HN 0.805 nan 8.290 nan 0.000 0.549 144 D N 2.525 122.941 120.400 0.028 0.000 2.358 144 D HA 0.214 4.862 4.640 0.013 0.000 0.224 144 D C 0.773 177.064 176.300 -0.015 0.000 1.123 144 D CA 0.296 54.298 54.000 0.002 0.000 0.833 144 D CB 0.179 40.965 40.800 -0.024 0.000 0.946 144 D HN 0.603 nan 8.370 nan 0.000 0.505 145 E N 0.700 120.903 120.200 0.005 0.000 2.343 145 E HA 0.162 4.520 4.350 0.013 0.000 0.269 145 E C 0.007 176.607 176.600 0.001 0.000 1.047 145 E CA -0.335 56.055 56.400 -0.016 0.000 0.874 145 E CB 0.984 30.670 29.700 -0.024 0.000 1.033 145 E HN 0.066 nan 8.360 nan 0.000 0.409 146 N N 1.678 120.349 118.700 -0.048 0.000 2.454 146 N HA -0.044 4.704 4.740 0.013 0.000 0.260 146 N C -0.293 175.203 175.510 -0.023 0.000 1.218 146 N CA -0.097 52.909 53.050 -0.074 0.000 0.904 146 N CB 0.474 38.896 38.487 -0.107 0.000 1.065 146 N HN 0.430 nan 8.380 nan 0.000 0.462 147 F N 3.076 122.902 119.950 -0.208 0.000 2.343 147 F HA 0.183 4.717 4.527 0.012 0.000 0.286 147 F C -0.040 175.584 175.800 -0.293 0.000 1.057 147 F CA 0.330 58.239 58.000 -0.152 0.000 1.365 147 F CB 0.385 39.292 39.000 -0.155 0.000 1.114 147 F HN 0.528 nan 8.300 nan 0.000 0.545 148 Y N -0.982 119.184 120.300 -0.224 0.000 2.597 148 Y HA 0.654 5.214 4.550 0.016 0.000 0.340 148 Y C -1.539 174.163 175.900 -0.329 0.000 1.097 148 Y CA -2.144 55.580 58.100 -0.627 0.000 1.037 148 Y CB 0.919 38.770 38.460 -1.016 0.000 1.305 148 Y HN -0.158 nan 8.280 nan 0.000 0.463 149 I N 4.123 124.691 120.570 -0.005 0.000 2.468 149 I HA 0.397 4.575 4.170 0.013 0.000 0.284 149 I C -1.058 175.141 176.117 0.137 0.000 1.038 149 I CA -0.496 60.811 61.300 0.011 0.000 1.083 149 I CB 1.622 39.613 38.000 -0.015 0.000 1.223 149 I HN 0.562 nan 8.210 nan 0.000 0.443 150 I N 5.912 126.575 120.570 0.155 0.000 2.377 150 I HA 0.320 4.498 4.170 0.013 0.000 0.293 150 I C -0.807 175.363 176.117 0.088 0.000 0.987 150 I CA -0.707 60.705 61.300 0.185 0.000 1.185 150 I CB 1.368 39.477 38.000 0.181 0.000 1.341 150 I HN 0.360 nan 8.210 nan 0.000 0.455 151 Y N 4.220 124.587 120.300 0.112 0.000 2.304 151 Y HA 0.321 4.879 4.550 0.013 0.000 0.328 151 Y C 0.975 176.931 175.900 0.093 0.000 1.123 151 Y CA -0.411 57.747 58.100 0.096 0.000 1.218 151 Y CB 1.379 39.882 38.460 0.073 0.000 1.207 151 Y HN 0.512 nan 8.280 nan 0.000 0.495 152 T N -0.950 113.701 114.554 0.162 0.000 2.940 152 T HA 0.773 5.131 4.350 0.013 0.000 0.288 152 T C -0.096 174.660 174.700 0.093 0.000 1.045 152 T CA -0.671 61.504 62.100 0.125 0.000 1.018 152 T CB 1.532 70.469 68.868 0.115 0.000 1.151 152 T HN 0.730 nan 8.240 nan 0.000 0.529 160 K N -0.224 120.207 120.400 0.050 0.000 2.443 160 K HA 0.693 5.021 4.320 0.013 0.000 0.252 160 K C -0.065 176.357 176.600 -0.297 0.000 0.933 160 K CA -0.850 55.359 56.287 -0.130 0.000 0.792 160 K CB 2.658 34.802 32.500 -0.594 0.000 1.185 160 K HN 0.112 nan 8.250 nan 0.000 0.425 161 G N 2.109 110.550 108.800 -0.598 0.000 2.391 161 G HA2 0.310 4.278 3.960 0.013 0.000 0.305 161 G HA3 0.310 4.278 3.960 0.013 0.000 0.305 161 G C -0.226 174.484 174.900 -0.316 0.000 1.072 161 G CA -0.595 43.833 45.100 -1.119 0.000 1.016 161 G HN 0.371 nan 8.290 nan 0.000 0.418 162 V N 3.828 123.631 119.914 -0.185 0.000 2.439 162 V HA 0.065 4.193 4.120 0.013 0.000 0.271 162 V C 0.468 176.451 176.094 -0.186 0.000 1.040 162 V CA -0.064 62.187 62.300 -0.082 0.000 1.002 162 V CB 0.533 32.349 31.823 -0.012 0.000 1.000 162 V HN 0.740 nan 8.190 nan 0.000 0.477 163 Q N 5.208 124.865 119.800 -0.239 0.000 2.314 163 Q HA 0.421 4.769 4.340 0.013 0.000 0.257 163 Q C -0.759 175.046 176.000 -0.324 0.000 0.975 163 Q CA -0.278 55.368 55.803 -0.262 0.000 0.933 163 Q CB 1.186 29.784 28.738 -0.234 0.000 1.195 163 Q HN 0.514 nan 8.270 nan 0.000 0.426 164 I N 3.355 123.647 120.570 -0.464 0.000 2.330 164 I HA 0.166 4.344 4.170 0.013 0.000 0.289 164 I C 0.935 176.777 176.117 -0.458 0.000 1.001 164 I CA -0.359 60.590 61.300 -0.586 0.000 1.193 164 I CB 0.958 38.272 38.000 -1.143 0.000 1.345 164 I HN 0.626 nan 8.210 nan 0.000 0.461 165 T N 2.753 117.137 114.554 -0.283 0.000 2.770 165 T HA 0.151 4.509 4.350 0.013 0.000 0.281 165 T C 1.208 175.850 174.700 -0.097 0.000 0.981 165 T CA -0.078 61.943 62.100 -0.131 0.000 0.955 165 T CB 0.969 69.790 68.868 -0.078 0.000 1.060 165 T HN 0.521 nan 8.240 nan 0.000 0.531 166 Y N 1.464 121.730 120.300 -0.057 0.000 2.145 166 Y HA -0.133 4.425 4.550 0.013 0.000 0.286 166 Y C 2.364 178.181 175.900 -0.139 0.000 1.145 166 Y CA 2.010 60.073 58.100 -0.063 0.000 1.148 166 Y CB -0.594 37.907 38.460 0.068 0.000 0.981 166 Y HN 0.588 nan 8.280 nan 0.000 0.507 167 N N -0.139 118.574 118.700 0.021 0.000 2.149 167 N HA -0.223 4.525 4.740 0.013 0.000 0.188 167 N C 1.956 177.370 175.510 -0.161 0.000 1.019 167 N CA 1.673 54.687 53.050 -0.059 0.000 0.857 167 N CB -0.993 37.508 38.487 0.023 0.000 0.997 167 N HN 0.428 nan 8.380 nan 0.000 0.426 168 C N 0.572 119.770 119.300 -0.170 0.000 2.436 168 C HA -0.054 4.414 4.460 0.013 0.000 0.277 168 C C 2.760 177.640 174.990 -0.184 0.000 1.241 168 C CA 0.148 59.063 59.018 -0.171 0.000 1.721 168 C CB -1.179 26.434 27.740 -0.212 0.000 2.043 168 C HN 0.382 nan 8.230 nan 0.000 0.472 169 L N 0.817 121.847 121.223 -0.323 0.000 2.083 169 L HA -0.076 4.272 4.340 0.013 0.000 0.209 169 L C 2.429 179.128 176.870 -0.285 0.000 1.083 169 L CA 1.828 56.462 54.840 -0.343 0.000 0.752 169 L CB -0.685 40.934 42.059 -0.733 0.000 0.899 169 L HN 0.213 nan 8.230 nan 0.000 0.433 170 V N -1.403 118.249 119.914 -0.436 0.000 2.358 170 V HA -0.253 3.875 4.120 0.013 0.000 0.246 170 V C 2.721 178.721 176.094 -0.157 0.000 1.047 170 V CA 1.706 63.796 62.300 -0.349 0.000 1.035 170 V CB -0.725 30.829 31.823 -0.448 0.000 0.658 170 V HN 0.610 nan 8.190 nan 0.000 0.452 171 S N -0.377 115.254 115.700 -0.116 0.000 2.359 171 S HA -0.262 4.216 4.470 0.013 0.000 0.224 171 S C 1.939 176.556 174.600 0.028 0.000 1.035 171 S CA 2.305 60.478 58.200 -0.044 0.000 1.018 171 S CB -0.453 62.719 63.200 -0.047 0.000 0.876 171 S HN 0.607 nan 8.310 nan 0.000 0.448 172 F N 1.801 121.729 119.950 -0.037 0.000 2.084 172 F HA -0.056 4.479 4.527 0.014 0.000 0.296 172 F C 2.424 178.300 175.800 0.127 0.000 1.111 172 F CA 2.107 60.166 58.000 0.099 0.000 1.224 172 F CB -1.047 37.993 39.000 0.066 0.000 0.991 172 F HN 0.170 nan 8.300 nan 0.000 0.471 173 T N 1.114 115.554 114.554 -0.190 0.000 2.684 173 T HA -0.294 4.064 4.350 0.013 0.000 0.267 173 T C 1.941 176.476 174.700 -0.275 0.000 1.036 173 T CA 1.977 63.916 62.100 -0.268 0.000 1.148 173 T CB -0.458 68.379 68.868 -0.051 0.000 0.863 173 T HN 0.332 nan 8.240 nan 0.000 0.436 174 K N -0.310 119.993 120.400 -0.161 0.000 2.009 174 K HA -0.207 4.121 4.320 0.013 0.000 0.210 174 K C 2.213 178.721 176.600 -0.154 0.000 1.049 174 K CA 1.758 57.976 56.287 -0.116 0.000 0.929 174 K CB -0.424 32.042 32.500 -0.057 0.000 0.714 174 K HN 0.461 nan 8.250 nan 0.000 0.440 175 W N 1.329 122.420 121.300 -0.349 0.000 2.338 175 W HA -0.184 4.484 4.660 0.013 0.000 0.304 175 W C 1.981 178.102 176.519 -0.663 0.000 1.212 175 W CA 2.397 59.499 57.345 -0.406 0.000 1.264 175 W CB -0.658 28.597 29.460 -0.342 0.000 1.142 175 W HN 0.252 nan 8.180 nan 0.000 0.512 176 A N 0.089 122.267 122.820 -1.071 0.000 1.858 176 A HA -0.198 4.130 4.320 0.013 0.000 0.216 176 A C 2.096 179.139 177.584 -0.901 0.000 1.190 176 A CA 2.774 53.901 52.037 -1.517 0.000 0.617 176 A CB -1.311 17.072 19.000 -1.028 0.000 0.827 176 A HN 0.204 nan 8.150 nan 0.000 0.443 177 V N 0.297 119.936 119.914 -0.459 0.000 2.332 177 V HA -0.295 3.833 4.120 0.013 0.000 0.248 177 V C 2.430 178.394 176.094 -0.218 0.000 1.055 177 V CA 2.425 64.598 62.300 -0.211 0.000 1.038 177 V CB -0.964 30.795 31.823 -0.107 0.000 0.651 177 V HN 0.662 nan 8.190 nan 0.000 0.450 178 E N -0.043 119.988 120.200 -0.281 0.000 2.016 178 E HA -0.186 4.172 4.350 0.013 0.000 0.190 178 E C 1.944 178.391 176.600 -0.256 0.000 0.985 178 E CA 1.368 57.644 56.400 -0.206 0.000 0.802 178 E CB -0.257 29.356 29.700 -0.145 0.000 0.762 178 E HN 0.498 nan 8.360 nan 0.000 0.448 179 D N -0.133 119.981 120.400 -0.476 0.000 2.269 179 D HA -0.078 4.570 4.640 0.013 0.000 0.208 179 D C 0.881 177.052 176.300 -0.214 0.000 0.963 179 D CA 0.677 54.432 54.000 -0.410 0.000 0.864 179 D CB 0.036 40.478 40.800 -0.596 0.000 0.936 179 D HN 0.088 nan 8.370 nan 0.000 0.505 180 F N 0.261 120.019 119.950 -0.320 0.000 2.732 180 F HA 0.190 4.726 4.527 0.014 0.000 0.303 180 F C 0.953 176.646 175.800 -0.178 0.000 1.110 180 F CA -0.610 57.240 58.000 -0.250 0.000 1.355 180 F CB -1.022 37.824 39.000 -0.257 0.000 1.081 180 F HN -0.161 nan 8.300 nan 0.000 0.565 181 N N 1.783 120.480 118.700 -0.005 0.000 2.688 181 N HA -0.222 4.526 4.740 0.013 0.000 0.258 181 N C -0.688 174.813 175.510 -0.015 0.000 1.016 181 N CA 0.315 53.351 53.050 -0.023 0.000 0.747 181 N CB -1.001 37.467 38.487 -0.032 0.000 0.895 181 N HN 0.274 nan 8.380 nan 0.000 0.543 182 L N 1.219 122.448 121.223 0.010 0.000 2.305 182 L HA 0.199 4.547 4.340 0.013 0.000 0.281 182 L C 1.579 178.469 176.870 0.034 0.000 1.085 182 L CA -0.649 54.215 54.840 0.039 0.000 0.813 182 L CB 1.232 43.384 42.059 0.154 0.000 1.157 182 L HN 0.154 nan 8.230 nan 0.000 0.436 183 Q N 2.014 121.823 119.800 0.014 0.000 2.827 183 Q HA 0.371 4.719 4.340 0.013 0.000 0.411 183 Q C 0.294 176.318 176.000 0.040 0.000 1.118 183 Q CA 0.202 56.016 55.803 0.018 0.000 0.461 183 Q CB 0.061 28.793 28.738 -0.010 0.000 5.129 183 Q HN 0.756 nan 8.270 nan 0.000 0.316 184 T N -5.433 109.125 114.554 0.007 0.000 2.853 184 T HA 0.529 4.887 4.350 0.013 0.000 0.311 184 T C 0.527 175.168 174.700 -0.098 0.000 1.307 184 T CA -0.228 61.836 62.100 -0.060 0.000 1.019 184 T CB 1.633 70.489 68.868 -0.020 0.000 1.264 184 T HN 0.802 nan 8.240 nan 0.000 0.497 185 G N 1.059 109.735 108.800 -0.207 0.000 2.180 185 G HA2 -0.256 3.712 3.960 0.013 0.000 0.263 185 G HA3 -0.256 3.712 3.960 0.013 0.000 0.263 185 G C -0.000 174.884 174.900 -0.026 0.000 0.989 185 G CA 0.773 45.795 45.100 -0.130 0.000 0.692 185 G HN 1.026 nan 8.290 nan 0.000 0.526 186 Q N -0.822 118.990 119.800 0.020 0.000 2.312 186 Q HA 0.534 4.882 4.340 0.013 0.000 0.236 186 Q C 0.246 176.271 176.000 0.042 0.000 0.965 186 Q CA -0.583 55.190 55.803 -0.050 0.000 0.894 186 Q CB 1.839 30.428 28.738 -0.248 0.000 1.225 186 Q HN 0.153 nan 8.270 nan 0.000 0.478 187 V N 2.661 122.534 119.914 -0.068 0.000 2.385 187 V HA 0.227 4.355 4.120 0.013 0.000 0.269 187 V C -0.649 175.408 176.094 -0.061 0.000 1.043 187 V CA -0.121 62.197 62.300 0.030 0.000 0.906 187 V CB -0.213 31.598 31.823 -0.021 0.000 0.995 187 V HN 0.513 nan 8.190 nan 0.000 0.467 188 F N 5.069 125.012 119.950 -0.013 0.000 2.411 188 F HA 0.499 5.033 4.527 0.011 0.000 0.352 188 F C 0.111 175.896 175.800 -0.026 0.000 1.123 188 F CA -0.753 57.228 58.000 -0.032 0.000 1.044 188 F CB 1.641 40.627 39.000 -0.023 0.000 1.135 188 F HN 0.373 nan 8.300 nan 0.000 0.461 189 L N 4.712 125.964 121.223 0.048 0.000 2.439 189 L HA 0.270 4.618 4.340 0.013 0.000 0.269 189 L C -0.288 176.539 176.870 -0.073 0.000 1.179 189 L CA 0.151 54.956 54.840 -0.058 0.000 0.828 189 L CB 0.518 42.368 42.059 -0.347 0.000 1.106 189 L HN 0.661 nan 8.230 nan 0.000 0.467 190 N N 3.765 122.405 118.700 -0.100 0.000 2.540 190 N HA 0.126 4.874 4.740 0.013 0.000 0.275 190 N C -0.303 175.051 175.510 -0.259 0.000 1.053 190 N CA -0.356 52.622 53.050 -0.121 0.000 0.876 190 N CB 1.268 39.757 38.487 0.004 0.000 1.284 190 N HN 0.911 nan 8.380 nan 0.000 0.518 191 Q N 3.225 122.798 119.800 -0.379 0.000 2.304 191 Q HA 0.209 4.557 4.340 0.013 0.000 0.204 191 Q C -0.152 175.615 176.000 -0.388 0.000 0.936 191 Q CA 0.337 55.803 55.803 -0.562 0.000 0.878 191 Q CB 0.196 28.335 28.738 -0.998 0.000 0.983 191 Q HN 0.618 nan 8.270 nan 0.000 0.516 192 A N 4.151 126.826 122.820 -0.242 0.000 2.450 192 A HA 0.393 4.721 4.320 0.013 0.000 0.255 192 A C -2.227 175.257 177.584 -0.168 0.000 1.096 192 A CA -1.170 50.830 52.037 -0.062 0.000 0.778 192 A CB -0.129 18.884 19.000 0.021 0.000 1.031 192 A HN 0.238 nan 8.150 nan 0.000 0.494 193 P HA 0.017 nan 4.420 nan 0.000 0.269 193 P C 0.206 177.437 177.300 -0.115 0.000 1.215 193 P CA 0.185 63.134 63.100 -0.253 0.000 0.780 193 P CB 0.254 31.932 31.700 -0.036 0.000 0.898 194 F N -0.100 119.891 119.950 0.069 0.000 2.546 194 F HA -0.106 4.435 4.527 0.024 0.000 0.298 194 F C 2.565 178.437 175.800 0.121 0.000 1.120 194 F CA 0.730 58.804 58.000 0.124 0.000 1.456 194 F CB -0.327 38.839 39.000 0.276 0.000 1.088 194 F HN 0.278 nan 8.300 nan 0.000 0.572 195 S N -0.403 115.460 115.700 0.271 0.000 2.562 195 S HA -0.030 4.448 4.470 0.013 0.000 0.221 195 S C 0.160 174.917 174.600 0.263 0.000 0.975 195 S CA -0.094 58.245 58.200 0.232 0.000 0.918 195 S CB -0.331 62.977 63.200 0.180 0.000 0.772 195 S HN 0.182 nan 8.310 nan 0.000 0.531 196 F N 3.007 122.989 119.950 0.052 0.000 2.449 196 F HA 0.389 4.925 4.527 0.014 0.000 0.342 196 F C 0.577 176.382 175.800 0.008 0.000 1.127 196 F CA -2.368 55.647 58.000 0.025 0.000 0.975 196 F CB 1.330 40.332 39.000 0.004 0.000 1.146 196 F HN 0.097 nan 8.300 nan 0.000 0.444 197 D N 4.489 124.853 120.400 -0.060 0.000 2.403 197 D HA -0.190 4.458 4.640 0.013 0.000 0.227 197 D C 1.715 177.742 176.300 -0.454 0.000 0.995 197 D CA 0.640 54.493 54.000 -0.245 0.000 0.928 197 D CB -0.258 40.468 40.800 -0.123 0.000 0.887 197 D HN 0.529 nan 8.370 nan 0.000 0.529 198 L N 1.393 122.048 121.223 -0.947 0.000 2.131 198 L HA -0.124 4.224 4.340 0.013 0.000 0.210 198 L C 2.208 178.879 176.870 -0.332 0.000 1.092 198 L CA 1.951 56.350 54.840 -0.736 0.000 0.759 198 L CB -1.044 40.359 42.059 -1.092 0.000 0.903 198 L HN 0.188 nan 8.230 nan 0.000 0.435 199 S N -1.951 113.600 115.700 -0.249 0.000 2.419 199 S HA -0.160 4.318 4.470 0.013 0.000 0.235 199 S C 1.921 176.548 174.600 0.045 0.000 1.019 199 S CA 1.266 59.458 58.200 -0.015 0.000 0.982 199 S CB -1.249 62.058 63.200 0.179 0.000 0.789 199 S HN 0.269 nan 8.310 nan 0.000 0.490 200 V N 2.001 121.909 119.914 -0.009 0.000 2.490 200 V HA -0.135 3.993 4.120 0.013 0.000 0.250 200 V C 2.527 178.756 176.094 0.226 0.000 1.061 200 V CA 2.068 64.431 62.300 0.104 0.000 1.064 200 V CB -0.813 30.995 31.823 -0.024 0.000 0.670 200 V HN 0.605 nan 8.190 nan 0.000 0.461 201 M N 1.211 120.909 119.600 0.164 0.000 2.279 201 M HA -0.217 4.271 4.480 0.013 0.000 0.264 201 M C 1.650 178.120 176.300 0.283 0.000 1.062 201 M CA 2.502 58.038 55.300 0.394 0.000 1.099 201 M CB -0.198 32.577 32.600 0.292 0.000 1.394 201 M HN 0.697 nan 8.290 nan 0.000 0.426 202 D N -1.073 119.416 120.400 0.148 0.000 2.422 202 D HA 0.044 4.692 4.640 0.013 0.000 0.218 202 D C 1.617 177.848 176.300 -0.115 0.000 1.047 202 D CA 0.200 54.248 54.000 0.082 0.000 0.885 202 D CB -0.379 40.508 40.800 0.145 0.000 1.035 202 D HN 0.396 nan 8.370 nan 0.000 0.502 203 I N -0.016 120.515 120.570 -0.064 0.000 2.076 203 I HA -0.283 3.895 4.170 0.013 0.000 0.237 203 I C 1.881 177.754 176.117 -0.406 0.000 1.059 203 I CA 1.367 62.518 61.300 -0.249 0.000 1.317 203 I CB -0.415 37.368 38.000 -0.361 0.000 1.037 203 I HN -0.015 nan 8.210 nan 0.000 0.398 204 Y N 0.042 120.352 120.300 0.017 0.000 2.263 204 Y HA -0.080 4.478 4.550 0.014 0.000 0.292 204 Y C -0.334 175.534 175.900 -0.053 0.000 1.130 204 Y CA 0.995 59.107 58.100 0.020 0.000 1.179 204 Y CB -1.905 36.595 38.460 0.067 0.000 0.998 204 Y HN 0.188 nan 8.280 nan 0.000 0.532 205 P HA -0.180 nan 4.420 nan 0.000 0.217 205 P C 1.841 178.921 177.300 -0.366 0.000 1.150 205 P CA 2.082 65.126 63.100 -0.095 0.000 0.832 205 P CB 0.036 31.732 31.700 -0.006 0.000 0.787 206 S N -1.044 114.173 115.700 -0.805 0.000 2.345 206 S HA -0.106 4.372 4.470 0.013 0.000 0.220 206 S C 1.839 176.230 174.600 -0.349 0.000 1.031 206 S CA 1.027 58.580 58.200 -1.078 0.000 0.996 206 S CB -1.078 61.442 63.200 -1.134 0.000 0.882 206 S HN -0.048 nan 8.310 nan 0.000 0.445 207 L N 1.761 122.880 121.223 -0.173 0.000 2.012 207 L HA -0.094 4.254 4.340 0.013 0.000 0.210 207 L C 2.579 179.553 176.870 0.173 0.000 1.073 207 L CA 1.693 56.587 54.840 0.089 0.000 0.748 207 L CB -0.783 41.317 42.059 0.068 0.000 0.891 207 L HN 0.445 nan 8.230 nan 0.000 0.431 208 V N -3.812 116.192 119.914 0.150 0.000 2.970 208 V HA -0.100 4.028 4.120 0.013 0.000 0.260 208 V C 1.888 178.197 176.094 0.358 0.000 1.100 208 V CA 1.663 64.132 62.300 0.282 0.000 1.122 208 V CB -1.109 30.831 31.823 0.195 0.000 0.721 208 V HN 0.604 nan 8.190 nan 0.000 0.483 209 T N -3.209 111.355 114.554 0.018 0.000 3.176 209 T HA 0.481 4.839 4.350 0.013 0.000 0.263 209 T C 1.466 175.648 174.700 -0.865 0.000 1.021 209 T CA 0.449 62.483 62.100 -0.111 0.000 0.905 209 T CB -0.020 68.848 68.868 0.001 0.000 1.057 209 T HN 1.517 nan 8.240 nan 0.000 0.558 210 G N 0.705 108.584 108.800 -1.535 0.000 2.225 210 G HA2 -0.093 3.875 3.960 0.013 0.000 0.267 210 G HA3 -0.093 3.875 3.960 0.013 0.000 0.267 210 G C 0.518 175.045 174.900 -0.622 0.000 1.024 210 G CA -0.084 43.878 45.100 -1.897 0.000 0.784 210 G HN 1.037 nan 8.290 nan 0.000 0.507 211 G N -1.507 107.165 108.800 -0.214 0.000 2.563 211 G HA2 0.597 4.565 3.960 0.013 0.000 0.283 211 G HA3 0.597 4.565 3.960 0.013 0.000 0.283 211 G C -0.106 174.895 174.900 0.169 0.000 1.309 211 G CA 0.405 45.557 45.100 0.086 0.000 1.022 211 G HN 0.606 nan 8.290 nan 0.000 0.501 212 T N 0.779 115.462 114.554 0.215 0.000 2.791 212 T HA 0.395 4.753 4.350 0.013 0.000 0.288 212 T C 0.042 174.839 174.700 0.162 0.000 0.999 212 T CA -0.178 62.010 62.100 0.147 0.000 0.952 212 T CB 0.994 69.949 68.868 0.144 0.000 0.938 212 T HN 0.259 nan 8.240 nan 0.000 0.444 213 L N 3.532 124.783 121.223 0.046 0.000 2.313 213 L HA 0.336 4.684 4.340 0.013 0.000 0.282 213 L C -0.178 176.582 176.870 -0.183 0.000 1.092 213 L CA -0.501 54.337 54.840 -0.002 0.000 0.831 213 L CB 0.549 42.637 42.059 0.048 0.000 1.159 213 L HN 0.569 nan 8.230 nan 0.000 0.442 214 W N 5.480 126.648 121.300 -0.221 0.000 2.278 214 W HA 0.592 5.257 4.660 0.008 0.000 0.317 214 W C -0.560 175.800 176.519 -0.265 0.000 1.030 214 W CA -1.105 56.090 57.345 -0.250 0.000 1.334 214 W CB 1.373 30.756 29.460 -0.127 0.000 1.215 214 W HN 0.509 nan 8.180 nan 0.000 0.405 215 A N 6.463 128.977 122.820 -0.510 0.000 2.340 215 A HA 0.653 4.981 4.320 0.013 0.000 0.268 215 A C -0.870 176.660 177.584 -0.090 0.000 1.100 215 A CA -0.351 51.521 52.037 -0.275 0.000 0.803 215 A CB 0.843 19.675 19.000 -0.281 0.000 1.043 215 A HN 0.638 nan 8.150 nan 0.000 0.488 216 I N 1.356 121.899 120.570 -0.044 0.000 2.509 216 I HA 0.326 4.504 4.170 0.013 0.000 0.293 216 I C -0.896 175.223 176.117 0.004 0.000 1.020 216 I CA -0.584 60.741 61.300 0.042 0.000 1.088 216 I CB 2.302 40.317 38.000 0.024 0.000 1.267 216 I HN 0.933 nan 8.210 nan 0.000 0.430 217 D N 4.218 124.709 120.400 0.152 0.000 2.449 217 D HA 0.252 4.900 4.640 0.013 0.000 0.250 217 D C 0.643 177.099 176.300 0.260 0.000 1.050 217 D CA -0.856 53.289 54.000 0.243 0.000 1.024 217 D CB 1.122 42.205 40.800 0.471 0.000 1.218 217 D HN 0.352 nan 8.370 nan 0.000 0.566 218 K N -0.535 120.078 120.400 0.355 0.000 2.160 218 K HA -0.200 4.128 4.320 0.013 0.000 0.206 218 K C 0.637 177.285 176.600 0.080 0.000 1.047 218 K CA 1.597 57.951 56.287 0.112 0.000 0.930 218 K CB -0.091 32.355 32.500 -0.090 0.000 0.720 218 K HN 0.404 nan 8.250 nan 0.000 0.450 219 D N 0.287 120.748 120.400 0.102 0.000 2.149 219 D HA -0.130 4.518 4.640 0.013 0.000 0.201 219 D C 1.933 178.279 176.300 0.076 0.000 0.972 219 D CA 1.096 55.144 54.000 0.079 0.000 0.835 219 D CB -0.037 40.819 40.800 0.093 0.000 0.966 219 D HN 0.349 nan 8.370 nan 0.000 0.476 220 M N 0.286 119.945 119.600 0.099 0.000 2.117 220 M HA -0.086 4.402 4.480 0.013 0.000 0.262 220 M C 2.319 178.644 176.300 0.041 0.000 1.065 220 M CA 1.058 56.398 55.300 0.068 0.000 1.114 220 M CB -0.130 32.523 32.600 0.087 0.000 1.361 220 M HN -0.031 nan 8.290 nan 0.000 0.408 221 I N 0.042 120.658 120.570 0.078 0.000 2.315 221 I HA -0.213 3.965 4.170 0.013 0.000 0.248 221 I C 2.524 178.668 176.117 0.045 0.000 1.117 221 I CA 1.064 62.411 61.300 0.079 0.000 1.404 221 I CB -0.511 37.577 38.000 0.147 0.000 1.071 221 I HN 0.231 nan 8.210 nan 0.000 0.419 222 A N 0.209 123.057 122.820 0.046 0.000 2.168 222 A HA -0.045 4.283 4.320 0.013 0.000 0.215 222 A C 1.529 179.133 177.584 0.033 0.000 1.152 222 A CA 0.744 52.803 52.037 0.037 0.000 0.716 222 A CB -0.245 18.773 19.000 0.031 0.000 0.794 222 A HN 0.339 nan 8.150 nan 0.000 0.465 223 R N -0.321 120.196 120.500 0.030 0.000 2.639 223 R HA 0.218 4.566 4.340 0.013 0.000 0.273 223 R C -2.123 174.187 176.300 0.018 0.000 1.732 223 R CA -1.603 54.517 56.100 0.033 0.000 1.586 223 R CB 1.104 31.426 30.300 0.036 0.000 1.263 223 R HN 0.099 nan 8.270 nan 0.000 0.615 224 P HA -0.300 nan 4.420 nan 0.000 0.218 224 P C 0.379 177.722 177.300 0.072 0.000 1.150 224 P CA 1.276 64.349 63.100 -0.045 0.000 0.841 224 P CB 0.390 32.161 31.700 0.118 0.000 0.784 225 K N -0.126 120.362 120.400 0.147 0.000 2.097 225 K HA -0.119 4.209 4.320 0.013 0.000 0.206 225 K C 1.661 178.344 176.600 0.138 0.000 1.049 225 K CA 1.251 57.649 56.287 0.185 0.000 0.933 225 K CB -0.765 31.810 32.500 0.125 0.000 0.717 225 K HN 0.240 nan 8.250 nan 0.000 0.442 226 D N 0.871 121.315 120.400 0.073 0.000 2.194 226 D HA -0.078 4.570 4.640 0.013 0.000 0.204 226 D C 1.956 178.284 176.300 0.047 0.000 0.964 226 D CA 0.244 54.281 54.000 0.061 0.000 0.846 226 D CB -0.097 40.728 40.800 0.042 0.000 0.962 226 D HN 0.062 nan 8.370 nan 0.000 0.490 227 L N -0.017 121.179 121.223 -0.045 0.000 1.976 227 L HA -0.204 4.144 4.340 0.013 0.000 0.209 227 L C 2.162 178.967 176.870 -0.108 0.000 1.071 227 L CA 1.430 56.185 54.840 -0.140 0.000 0.746 227 L CB -0.265 41.549 42.059 -0.409 0.000 0.890 227 L HN -0.070 nan 8.230 nan 0.000 0.432 228 F N 0.083 120.120 119.950 0.144 0.000 2.216 228 F HA -0.134 4.408 4.527 0.025 0.000 0.300 228 F C 2.594 178.478 175.800 0.140 0.000 1.085 228 F CA 0.919 59.014 58.000 0.159 0.000 1.326 228 F CB -1.167 37.913 39.000 0.133 0.000 1.027 228 F HN 0.140 nan 8.300 nan 0.000 0.497 229 A N -0.813 122.159 122.820 0.253 0.000 1.877 229 A HA -0.209 4.120 4.320 0.013 0.000 0.216 229 A C 2.453 180.144 177.584 0.179 0.000 1.186 229 A CA 2.006 54.153 52.037 0.184 0.000 0.620 229 A CB -1.283 17.798 19.000 0.136 0.000 0.822 229 A HN 0.319 nan 8.150 nan 0.000 0.443 230 S N -0.828 114.993 115.700 0.200 0.000 2.356 230 S HA -0.137 4.341 4.470 0.013 0.000 0.223 230 S C 1.918 176.644 174.600 0.210 0.000 1.032 230 S CA 1.567 59.949 58.200 0.303 0.000 1.005 230 S CB -0.437 62.971 63.200 0.346 0.000 0.867 230 S HN 0.277 nan 8.310 nan 0.000 0.449 231 L N 2.134 123.468 121.223 0.185 0.000 2.013 231 L HA -0.051 4.297 4.340 0.013 0.000 0.212 231 L C 2.551 179.438 176.870 0.028 0.000 1.073 231 L CA 2.240 57.160 54.840 0.133 0.000 0.753 231 L CB -1.357 40.933 42.059 0.385 0.000 0.890 231 L HN 0.525 nan 8.230 nan 0.000 0.432 232 E N -1.053 119.207 120.200 0.099 0.000 2.204 232 E HA -0.236 4.122 4.350 0.013 0.000 0.195 232 E C 1.976 178.543 176.600 -0.055 0.000 0.990 232 E CA 0.983 57.410 56.400 0.044 0.000 0.821 232 E CB 0.088 29.840 29.700 0.085 0.000 0.750 232 E HN 0.614 nan 8.360 nan 0.000 0.477 233 Q N -0.178 119.574 119.800 -0.081 0.000 2.269 233 Q HA -0.066 4.282 4.340 0.013 0.000 0.201 233 Q C 2.346 178.051 176.000 -0.492 0.000 0.946 233 Q CA 1.099 56.833 55.803 -0.116 0.000 0.877 233 Q CB 0.223 29.025 28.738 0.107 0.000 0.963 233 Q HN 0.287 nan 8.270 nan 0.000 0.472 234 S N 1.109 116.196 115.700 -1.021 0.000 2.370 234 S HA -0.220 4.258 4.470 0.013 0.000 0.226 234 S C 0.926 175.040 174.600 -0.810 0.000 1.033 234 S CA 1.317 58.400 58.200 -1.862 0.000 1.011 234 S CB -0.228 61.794 63.200 -1.962 0.000 0.852 234 S HN 0.470 nan 8.310 nan 0.000 0.457 235 D N 0.032 120.168 120.400 -0.440 0.000 2.800 235 D HA -0.158 4.490 4.640 0.013 0.000 0.232 235 D C -0.529 175.638 176.300 -0.221 0.000 1.137 235 D CA 0.487 54.345 54.000 -0.237 0.000 0.718 235 D CB -2.283 38.415 40.800 -0.171 0.000 1.084 235 D HN 0.680 nan 8.370 nan 0.000 0.432 236 I N 0.489 120.908 120.570 -0.251 0.000 2.775 236 I HA -0.121 4.057 4.170 0.013 0.000 0.290 236 I C 1.852 177.863 176.117 -0.177 0.000 1.203 236 I CA 0.884 62.075 61.300 -0.182 0.000 1.433 236 I CB 0.649 38.588 38.000 -0.100 0.000 1.354 236 I HN 0.229 nan 8.210 nan 0.000 0.579 237 Q N 3.859 123.518 119.800 -0.234 0.000 2.431 237 Q HA 0.225 4.573 4.340 0.013 0.000 0.244 237 Q C -0.660 175.103 176.000 -0.395 0.000 0.880 237 Q CA 0.292 55.920 55.803 -0.291 0.000 0.954 237 Q CB 1.166 29.740 28.738 -0.274 0.000 1.105 237 Q HN 0.490 nan 8.270 nan 0.000 0.558 238 V N 1.382 121.017 119.914 -0.464 0.000 2.378 238 V HA 0.233 4.361 4.120 0.013 0.000 0.288 238 V C -1.292 174.651 176.094 -0.252 0.000 1.016 238 V CA -0.691 61.311 62.300 -0.496 0.000 0.840 238 V CB 1.672 32.935 31.823 -0.933 0.000 0.994 238 V HN 0.287 nan 8.190 nan 0.000 0.431 239 W N 5.089 126.117 121.300 -0.453 0.000 2.291 239 W HA 0.504 5.171 4.660 0.012 0.000 0.312 239 W C -0.757 175.638 176.519 -0.206 0.000 1.061 239 W CA -0.399 56.778 57.345 -0.282 0.000 1.296 239 W CB 1.589 30.832 29.460 -0.363 0.000 1.223 239 W HN 0.479 nan 8.180 nan 0.000 0.421 240 T N 4.966 119.422 114.554 -0.162 0.000 2.788 240 T HA 0.432 4.790 4.350 0.013 0.000 0.296 240 T C -0.095 174.513 174.700 -0.153 0.000 1.009 240 T CA -0.131 61.905 62.100 -0.107 0.000 0.949 240 T CB 1.264 70.108 68.868 -0.040 0.000 0.946 240 T HN 0.409 nan 8.240 nan 0.000 0.453 241 S N 1.830 117.577 115.700 0.077 0.000 2.661 241 S HA 0.702 5.180 4.470 0.013 0.000 0.268 241 S C -0.190 174.688 174.600 0.464 0.000 1.162 241 S CA -0.985 57.332 58.200 0.194 0.000 0.817 241 S CB 0.955 64.343 63.200 0.313 0.000 1.141 241 S HN 0.685 nan 8.310 nan 0.000 0.477 242 T N -1.052 113.759 114.554 0.428 0.000 2.828 242 T HA 0.527 4.885 4.350 0.013 0.000 0.290 242 T C -2.102 172.855 174.700 0.428 0.000 1.019 242 T CA -1.313 61.036 62.100 0.415 0.000 1.031 242 T CB 0.316 69.387 68.868 0.338 0.000 1.001 242 T HN 0.347 nan 8.240 nan 0.000 0.531 243 P HA -0.031 nan 4.420 nan 0.000 0.217 243 P C 1.820 179.149 177.300 0.048 0.000 1.150 243 P CA 0.883 63.940 63.100 -0.071 0.000 0.832 243 P CB -0.074 31.558 31.700 -0.114 0.000 0.787 244 S N -1.234 114.544 115.700 0.131 0.000 2.370 244 S HA -0.181 4.297 4.470 0.013 0.000 0.226 244 S C 1.641 176.352 174.600 0.185 0.000 1.033 244 S CA 1.096 59.374 58.200 0.130 0.000 1.011 244 S CB -1.233 62.048 63.200 0.134 0.000 0.852 244 S HN 0.144 nan 8.310 nan 0.000 0.457 245 F N 2.264 122.304 119.950 0.150 0.000 2.134 245 F HA -0.141 4.384 4.527 -0.002 0.000 0.299 245 F C 2.330 178.270 175.800 0.232 0.000 1.097 245 F CA 1.124 59.234 58.000 0.183 0.000 1.264 245 F CB -0.476 38.656 39.000 0.220 0.000 1.001 245 F HN 0.192 nan 8.300 nan 0.000 0.479 246 A N -0.234 122.812 122.820 0.377 0.000 1.902 246 A HA -0.241 4.087 4.320 0.013 0.000 0.217 246 A C 2.134 179.699 177.584 -0.032 0.000 1.181 246 A CA 1.847 54.025 52.037 0.235 0.000 0.623 246 A CB -0.986 18.181 19.000 0.279 0.000 0.818 246 A HN 0.548 nan 8.150 nan 0.000 0.443 247 E N -0.552 119.633 120.200 -0.024 0.000 2.077 247 E HA -0.259 4.099 4.350 0.013 0.000 0.193 247 E C 2.050 178.617 176.600 -0.054 0.000 0.989 247 E CA 1.820 58.198 56.400 -0.037 0.000 0.800 247 E CB -0.224 29.466 29.700 -0.016 0.000 0.746 247 E HN 0.773 nan 8.360 nan 0.000 0.452 248 M N -0.490 119.056 119.600 -0.089 0.000 2.117 248 M HA -0.115 4.373 4.480 0.013 0.000 0.262 248 M C 2.223 178.444 176.300 -0.130 0.000 1.065 248 M CA 1.623 56.863 55.300 -0.100 0.000 1.114 248 M CB -0.685 31.836 32.600 -0.131 0.000 1.361 248 M HN 0.056 nan 8.290 nan 0.000 0.408 249 C N 0.448 119.556 119.300 -0.321 0.000 2.422 249 C HA 0.024 4.492 4.460 0.013 0.000 0.279 249 C C 2.719 177.524 174.990 -0.310 0.000 1.305 249 C CA 0.658 59.420 59.018 -0.427 0.000 1.757 249 C CB -1.438 25.601 27.740 -1.169 0.000 1.962 249 C HN 0.695 nan 8.230 nan 0.000 0.499 250 L N 0.170 121.310 121.223 -0.138 0.000 2.362 250 L HA -0.121 4.226 4.340 0.013 0.000 0.219 250 L C 2.422 179.329 176.870 0.062 0.000 1.134 250 L CA 0.841 55.747 54.840 0.111 0.000 0.807 250 L CB -0.410 41.705 42.059 0.093 0.000 0.927 250 L HN 0.358 nan 8.230 nan 0.000 0.447 251 M N -1.049 118.564 119.600 0.023 0.000 2.557 251 M HA -0.008 4.480 4.480 0.013 0.000 0.259 251 M C 0.574 176.873 176.300 -0.002 0.000 1.086 251 M CA 0.819 56.134 55.300 0.025 0.000 1.096 251 M CB -0.640 31.983 32.600 0.038 0.000 1.424 251 M HN 0.003 nan 8.290 nan 0.000 0.488 252 E N 0.503 120.677 120.200 -0.043 0.000 2.081 252 E HA 0.422 4.780 4.350 0.013 0.000 0.276 252 E C 0.582 177.110 176.600 -0.120 0.000 0.950 252 E CA -0.179 56.099 56.400 -0.202 0.000 0.776 252 E CB 1.378 30.636 29.700 -0.738 0.000 1.094 252 E HN 0.176 nan 8.360 nan 0.000 0.402 253 A N 3.298 126.054 122.820 -0.106 0.000 1.986 253 A HA -0.222 4.106 4.320 0.013 0.000 0.220 253 A C 1.935 179.458 177.584 -0.101 0.000 1.171 253 A CA 2.244 54.233 52.037 -0.080 0.000 0.640 253 A CB -0.308 18.648 19.000 -0.074 0.000 0.811 253 A HN 0.576 nan 8.150 nan 0.000 0.451 254 S N -1.680 113.935 115.700 -0.142 0.000 2.522 254 S HA 0.061 4.539 4.470 0.013 0.000 0.227 254 S C 0.562 175.108 174.600 -0.089 0.000 0.986 254 S CA -0.046 58.076 58.200 -0.129 0.000 0.929 254 S CB -0.528 62.593 63.200 -0.131 0.000 0.769 254 S HN 0.434 nan 8.310 nan 0.000 0.529 255 F N 3.315 123.132 119.950 -0.223 0.000 2.556 255 F HA 0.578 5.118 4.527 0.022 0.000 0.344 255 F C 0.281 176.029 175.800 -0.087 0.000 1.255 255 F CA -0.384 57.580 58.000 -0.059 0.000 1.091 255 F CB -0.379 38.628 39.000 0.012 0.000 1.325 255 F HN 0.229 nan 8.300 nan 0.000 0.627 256 S N 3.163 118.520 115.700 -0.571 0.000 2.724 256 S HA 0.163 4.641 4.470 0.013 0.000 0.278 256 S C 0.810 174.765 174.600 -1.076 0.000 1.190 256 S CA -0.216 57.306 58.200 -1.130 0.000 0.860 256 S CB 0.908 63.716 63.200 -0.654 0.000 1.206 256 S HN 0.668 nan 8.310 nan 0.000 0.507 257 E N 0.783 120.263 120.200 -1.201 0.000 2.219 257 E HA -0.136 4.222 4.350 0.013 0.000 0.198 257 E C 1.637 178.117 176.600 -0.201 0.000 0.998 257 E CA 1.696 57.816 56.400 -0.467 0.000 0.818 257 E CB -0.235 29.267 29.700 -0.330 0.000 0.741 257 E HN 0.431 nan 8.360 nan 0.000 0.477 258 S N -0.294 115.266 115.700 -0.234 0.000 2.383 258 S HA -0.138 4.340 4.470 0.013 0.000 0.227 258 S C 1.904 176.463 174.600 -0.068 0.000 1.026 258 S CA 1.255 59.379 58.200 -0.127 0.000 0.981 258 S CB -0.168 62.956 63.200 -0.127 0.000 0.818 258 S HN 0.445 nan 8.310 nan 0.000 0.472 259 M N -0.022 119.542 119.600 -0.059 0.000 2.288 259 M HA 0.221 4.709 4.480 0.013 0.000 0.266 259 M C -0.498 175.843 176.300 0.068 0.000 1.072 259 M CA 1.281 56.601 55.300 0.033 0.000 1.132 259 M CB 0.219 32.882 32.600 0.105 0.000 1.386 259 M HN 0.235 nan 8.290 nan 0.000 0.432 260 L N 1.102 122.383 121.223 0.098 0.000 2.551 260 L HA 0.311 4.659 4.340 0.013 0.000 0.248 260 L C -1.874 175.051 176.870 0.091 0.000 1.509 260 L CA -1.188 53.714 54.840 0.102 0.000 0.842 260 L CB 0.777 42.929 42.059 0.155 0.000 1.087 260 L HN -0.011 nan 8.230 nan 0.000 0.512 261 P HA -0.150 nan 4.420 nan 0.000 0.221 261 P C 0.422 177.718 177.300 -0.007 0.000 1.145 261 P CA 1.256 64.358 63.100 0.004 0.000 0.795 261 P CB 0.317 32.003 31.700 -0.022 0.000 0.775 262 N N -0.851 117.829 118.700 -0.034 0.000 2.270 262 N HA 0.072 4.820 4.740 0.013 0.000 0.198 262 N C 0.709 176.150 175.510 -0.114 0.000 1.117 262 N CA -0.204 52.805 53.050 -0.068 0.000 0.845 262 N CB -0.303 38.136 38.487 -0.080 0.000 0.980 262 N HN 0.166 nan 8.380 nan 0.000 0.486 263 M N 1.495 121.024 119.600 -0.119 0.000 2.260 263 M HA -0.052 4.436 4.480 0.013 0.000 0.348 263 M C 1.164 177.307 176.300 -0.262 0.000 1.342 263 M CA 0.696 55.827 55.300 -0.283 0.000 1.040 263 M CB 0.622 32.954 32.600 -0.446 0.000 1.810 263 M HN -0.021 nan 8.290 nan 0.000 0.453 264 K N 1.716 121.915 120.400 -0.335 0.000 2.493 264 K HA 0.214 4.542 4.320 0.013 0.000 0.201 264 K C -0.711 175.718 176.600 -0.286 0.000 1.355 264 K CA 0.412 56.551 56.287 -0.247 0.000 0.953 264 K CB 0.860 33.239 32.500 -0.201 0.000 1.316 264 K HN 0.703 nan 8.250 nan 0.000 0.522 265 T N 0.855 115.165 114.554 -0.406 0.000 2.928 265 T HA 0.448 4.806 4.350 0.013 0.000 0.296 265 T C -1.453 172.962 174.700 -0.475 0.000 1.000 265 T CA -0.498 61.386 62.100 -0.360 0.000 0.989 265 T CB 1.029 69.727 68.868 -0.283 0.000 1.005 265 T HN -0.052 nan 8.240 nan 0.000 0.442 266 F N 2.744 122.518 119.950 -0.294 0.000 2.427 266 F HA 0.592 5.125 4.527 0.011 0.000 0.346 266 F C -0.074 175.385 175.800 -0.569 0.000 1.120 266 F CA -1.098 56.640 58.000 -0.436 0.000 1.033 266 F CB 1.107 39.838 39.000 -0.448 0.000 1.126 266 F HN 0.251 nan 8.300 nan 0.000 0.462 267 L N 5.000 125.949 121.223 -0.457 0.000 2.343 267 L HA 0.504 4.852 4.340 0.013 0.000 0.278 267 L C -1.199 175.396 176.870 -0.459 0.000 0.996 267 L CA -0.552 54.005 54.840 -0.472 0.000 0.831 267 L CB 1.114 42.927 42.059 -0.411 0.000 1.232 267 L HN 0.393 nan 8.230 nan 0.000 0.413 268 F N 2.074 122.048 119.950 0.039 0.000 2.508 268 F HA 0.715 5.248 4.527 0.010 0.000 0.325 268 F C 0.169 176.006 175.800 0.062 0.000 1.090 268 F CA -0.806 57.250 58.000 0.094 0.000 0.945 268 F CB 1.929 40.992 39.000 0.105 0.000 1.156 268 F HN 0.420 nan 8.300 nan 0.000 0.463 269 C N 0.477 119.952 119.300 0.292 0.000 3.312 269 C HA 0.654 5.122 4.460 0.013 0.000 0.332 269 C C 0.593 175.691 174.990 0.180 0.000 1.340 269 C CA 0.385 59.510 59.018 0.177 0.000 1.265 269 C CB 1.231 29.036 27.740 0.109 0.000 1.563 269 C HN 1.277 nan 8.230 nan 0.000 0.471 270 G N 2.154 111.033 108.800 0.132 0.000 2.345 270 G HA2 -0.095 3.873 3.960 0.013 0.000 0.218 270 G HA3 -0.095 3.873 3.960 0.013 0.000 0.218 270 G C -0.246 174.728 174.900 0.123 0.000 1.058 270 G CA 0.688 45.906 45.100 0.197 0.000 0.632 270 G HN 0.978 nan 8.290 nan 0.000 0.508 271 E N -0.967 119.288 120.200 0.093 0.000 2.459 271 E HA 0.605 4.963 4.350 0.013 0.000 0.275 271 E C -0.773 175.828 176.600 0.001 0.000 0.987 271 E CA -0.992 55.437 56.400 0.049 0.000 0.828 271 E CB 1.913 31.669 29.700 0.093 0.000 1.428 271 E HN 0.209 nan 8.360 nan 0.000 0.457 272 V N 1.734 121.661 119.914 0.021 0.000 2.585 272 V HA 0.014 4.142 4.120 0.013 0.000 0.296 272 V C -0.264 175.840 176.094 0.016 0.000 1.035 272 V CA 0.001 62.323 62.300 0.036 0.000 1.084 272 V CB 0.358 32.260 31.823 0.130 0.000 0.953 272 V HN 0.389 nan 8.190 nan 0.000 0.483 273 L N 9.752 130.973 121.223 -0.003 0.000 2.255 273 L HA 0.549 4.897 4.340 0.013 0.000 0.289 273 L C -2.346 174.509 176.870 -0.024 0.000 1.046 273 L CA -1.553 53.244 54.840 -0.071 0.000 0.816 273 L CB 1.042 43.058 42.059 -0.072 0.000 1.197 273 L HN 0.408 nan 8.230 nan 0.000 0.427 274 P HA 0.138 nan 4.420 nan 0.000 0.271 274 P C 0.315 177.622 177.300 0.012 0.000 1.216 274 P CA -0.104 63.007 63.100 0.018 0.000 0.776 274 P CB 0.615 32.314 31.700 -0.001 0.000 0.881 275 N N 2.762 121.499 118.700 0.061 0.000 2.149 275 N HA -0.223 4.525 4.740 0.013 0.000 0.188 275 N C 1.229 176.754 175.510 0.026 0.000 1.019 275 N CA 1.576 54.663 53.050 0.062 0.000 0.857 275 N CB -0.055 38.494 38.487 0.104 0.000 0.997 275 N HN 0.337 nan 8.380 nan 0.000 0.426 276 E N 0.448 120.654 120.200 0.011 0.000 2.150 276 E HA -0.057 4.301 4.350 0.013 0.000 0.193 276 E C 2.069 178.656 176.600 -0.021 0.000 0.985 276 E CA 0.327 56.724 56.400 -0.004 0.000 0.814 276 E CB -0.132 29.563 29.700 -0.009 0.000 0.752 276 E HN 0.196 nan 8.360 nan 0.000 0.466 277 V N 1.168 121.055 119.914 -0.045 0.000 2.307 277 V HA -0.248 3.880 4.120 0.013 0.000 0.245 277 V C 2.470 178.504 176.094 -0.100 0.000 1.045 277 V CA 1.801 64.049 62.300 -0.086 0.000 1.024 277 V CB -0.859 30.872 31.823 -0.153 0.000 0.651 277 V HN 0.264 nan 8.190 nan 0.000 0.449 278 A N 0.056 122.824 122.820 -0.087 0.000 1.908 278 A HA -0.289 4.039 4.320 0.013 0.000 0.218 278 A C 2.389 179.964 177.584 -0.015 0.000 1.181 278 A CA 2.243 54.251 52.037 -0.048 0.000 0.627 278 A CB -0.609 18.397 19.000 0.011 0.000 0.818 278 A HN 0.515 nan 8.150 nan 0.000 0.445 279 R N -0.047 120.451 120.500 -0.003 0.000 2.081 279 R HA -0.148 4.200 4.340 0.013 0.000 0.235 279 R C 2.061 178.360 176.300 -0.001 0.000 1.131 279 R CA 1.891 57.996 56.100 0.008 0.000 0.960 279 R CB -0.252 30.054 30.300 0.009 0.000 0.856 279 R HN 0.523 nan 8.270 nan 0.000 0.436 280 K N 0.261 120.654 120.400 -0.012 0.000 2.097 280 K HA -0.116 4.212 4.320 0.013 0.000 0.206 280 K C 2.125 178.725 176.600 -0.000 0.000 1.049 280 K CA 1.375 57.657 56.287 -0.008 0.000 0.933 280 K CB -0.110 32.388 32.500 -0.003 0.000 0.717 280 K HN 0.237 nan 8.250 nan 0.000 0.442 281 L N 0.713 121.923 121.223 -0.022 0.000 2.093 281 L HA -0.157 4.191 4.340 0.013 0.000 0.208 281 L C 2.321 179.247 176.870 0.094 0.000 1.085 281 L CA 1.022 55.852 54.840 -0.017 0.000 0.755 281 L CB -0.371 41.496 42.059 -0.320 0.000 0.904 281 L HN 0.153 nan 8.230 nan 0.000 0.435 282 I N -0.342 120.262 120.570 0.056 0.000 2.226 282 I HA -0.268 3.910 4.170 0.013 0.000 0.245 282 I C 2.491 178.643 176.117 0.058 0.000 1.100 282 I CA 1.315 62.668 61.300 0.089 0.000 1.374 282 I CB -0.265 37.776 38.000 0.068 0.000 1.057 282 I HN 0.292 nan 8.210 nan 0.000 0.413 283 E N 0.446 120.655 120.200 0.015 0.000 2.077 283 E HA -0.183 4.175 4.350 0.013 0.000 0.193 283 E C 2.299 178.848 176.600 -0.085 0.000 0.989 283 E CA 0.839 57.223 56.400 -0.026 0.000 0.800 283 E CB -0.015 29.665 29.700 -0.034 0.000 0.746 283 E HN 0.393 nan 8.360 nan 0.000 0.452 284 R N -0.181 120.246 120.500 -0.122 0.000 2.119 284 R HA 0.019 4.367 4.340 0.013 0.000 0.222 284 R C 0.440 176.354 176.300 -0.643 0.000 1.088 284 R CA 0.660 56.528 56.100 -0.386 0.000 0.984 284 R CB 0.074 30.106 30.300 -0.447 0.000 0.884 284 R HN 0.113 nan 8.270 nan 0.000 0.447 285 F N 1.313 121.227 119.950 -0.061 0.000 2.622 285 F HA 0.298 4.832 4.527 0.011 0.000 0.338 285 F C -1.530 174.280 175.800 0.016 0.000 1.334 285 F CA -2.102 55.889 58.000 -0.015 0.000 1.179 285 F CB 1.596 40.655 39.000 0.099 0.000 1.471 285 F HN -0.144 nan 8.300 nan 0.000 0.576 286 P HA -0.187 nan 4.420 nan 0.000 0.223 286 P C 0.671 178.022 177.300 0.086 0.000 1.144 286 P CA 1.393 64.537 63.100 0.073 0.000 0.783 286 P CB 0.318 32.029 31.700 0.018 0.000 0.771 287 K N -0.919 119.539 120.400 0.096 0.000 2.374 287 K HA 0.308 4.636 4.320 0.013 0.000 0.196 287 K C 0.920 177.560 176.600 0.066 0.000 1.023 287 K CA -0.232 56.095 56.287 0.067 0.000 1.103 287 K CB 0.541 33.063 32.500 0.037 0.000 0.848 287 K HN 0.064 nan 8.250 nan 0.000 0.528 288 A N 1.181 124.073 122.820 0.121 0.000 2.304 288 A HA 0.359 4.687 4.320 0.013 0.000 0.301 288 A C -0.167 177.490 177.584 0.123 0.000 1.132 288 A CA -0.233 51.852 52.037 0.081 0.000 0.819 288 A CB 0.752 19.822 19.000 0.116 0.000 1.094 288 A HN 0.001 nan 8.150 nan 0.000 0.492 289 T N 2.331 116.904 114.554 0.032 0.000 2.799 289 T HA 0.502 4.860 4.350 0.013 0.000 0.286 289 T C -0.159 174.573 174.700 0.053 0.000 0.973 289 T CA 0.242 62.338 62.100 -0.006 0.000 1.035 289 T CB 0.120 68.856 68.868 -0.219 0.000 0.932 289 T HN 0.405 nan 8.240 nan 0.000 0.469 290 I N 3.687 124.342 120.570 0.142 0.000 2.354 290 I HA 0.455 4.633 4.170 0.013 0.000 0.292 290 I C -0.396 175.802 176.117 0.135 0.000 0.989 290 I CA -0.745 60.669 61.300 0.189 0.000 1.188 290 I CB 1.655 39.801 38.000 0.244 0.000 1.342 290 I HN 0.382 nan 8.210 nan 0.000 0.457 291 M N 6.149 125.773 119.600 0.041 0.000 2.311 291 M HA 0.382 4.870 4.480 0.013 0.000 0.325 291 M C -0.744 175.604 176.300 0.080 0.000 1.061 291 M CA -0.353 54.943 55.300 -0.006 0.000 0.957 291 M CB 1.495 33.933 32.600 -0.269 0.000 1.646 291 M HN 0.389 nan 8.290 nan 0.000 0.434 292 N N 1.345 120.122 118.700 0.129 0.000 2.399 292 N HA 0.756 5.504 4.740 0.013 0.000 0.295 292 N C -1.452 174.146 175.510 0.146 0.000 1.048 292 N CA -0.183 52.963 53.050 0.161 0.000 0.886 292 N CB 1.327 39.885 38.487 0.119 0.000 1.185 292 N HN 0.738 nan 8.380 nan 0.000 0.487 293 T N -0.505 114.157 114.554 0.180 0.000 2.883 293 T HA 0.551 4.909 4.350 0.013 0.000 0.296 293 T C -1.395 173.469 174.700 0.272 0.000 1.117 293 T CA -0.720 61.542 62.100 0.270 0.000 1.006 293 T CB 1.325 70.381 68.868 0.314 0.000 1.191 293 T HN 0.449 nan 8.240 nan 0.000 0.508 294 Y N -0.242 120.152 120.300 0.156 0.000 2.504 294 Y HA 0.685 5.243 4.550 0.014 0.000 0.344 294 Y C -0.532 175.424 175.900 0.093 0.000 1.023 294 Y CA 0.018 58.158 58.100 0.068 0.000 1.020 294 Y CB 1.758 40.214 38.460 -0.007 0.000 1.282 294 Y HN 1.366 nan 8.280 nan 0.000 0.454 295 G N 5.086 113.299 108.800 -0.978 0.000 2.384 295 G HA2 0.383 4.351 3.960 0.013 0.000 0.300 295 G HA3 0.383 4.351 3.960 0.013 0.000 0.300 295 G C -3.635 170.969 174.900 -0.494 0.000 1.582 295 G CA -1.088 43.549 45.100 -0.773 0.000 0.875 295 G HN 0.450 nan 8.290 nan 0.000 0.628 296 P HA 0.361 nan 4.420 nan 0.000 0.283 296 P C 0.745 177.953 177.300 -0.153 0.000 1.271 296 P CA -0.245 62.765 63.100 -0.151 0.000 0.841 296 P CB 1.789 33.472 31.700 -0.029 0.000 1.122 297 T N 0.364 114.869 114.554 -0.082 0.000 2.803 297 T HA -0.140 4.218 4.350 0.013 0.000 0.269 297 T C 1.322 175.932 174.700 -0.150 0.000 1.052 297 T CA 1.690 63.752 62.100 -0.064 0.000 1.136 297 T CB -0.463 68.427 68.868 0.037 0.000 0.864 297 T HN 0.516 nan 8.240 nan 0.000 0.467 298 E N 1.110 121.136 120.200 -0.290 0.000 2.401 298 E HA 0.060 4.418 4.350 0.013 0.000 0.199 298 E C 1.393 177.746 176.600 -0.411 0.000 1.023 298 E CA 0.732 56.829 56.400 -0.504 0.000 0.859 298 E CB -0.097 28.751 29.700 -1.420 0.000 0.780 298 E HN 0.486 nan 8.360 nan 0.000 0.523 299 A N 0.166 122.808 122.820 -0.296 0.000 2.749 299 A HA 0.246 4.574 4.320 0.013 0.000 0.299 299 A C -0.135 177.362 177.584 -0.144 0.000 1.105 299 A CA -0.299 51.633 52.037 -0.176 0.000 0.987 299 A CB -0.297 18.635 19.000 -0.113 0.000 1.180 299 A HN -0.005 nan 8.150 nan 0.000 0.528 300 T N -0.157 114.296 114.554 -0.168 0.000 3.247 300 T HA -0.155 4.203 4.350 0.013 0.000 0.434 300 T C 1.119 175.629 174.700 -0.317 0.000 0.770 300 T CA 0.819 62.803 62.100 -0.193 0.000 2.236 300 T CB -2.256 66.525 68.868 -0.146 0.000 1.678 300 T HN 1.570 nan 8.240 nan 0.000 0.645 301 V N -2.880 116.846 119.914 -0.313 0.000 0.609 301 V HA -0.303 3.825 4.120 0.013 0.000 0.092 301 V C 0.905 176.904 176.094 -0.158 0.000 1.683 301 V CA 1.953 64.026 62.300 -0.379 0.000 3.346 301 V CB -1.691 29.556 31.823 -0.960 0.000 0.626 301 V HN 2.323 nan 8.190 nan 0.000 0.642 302 A N -1.285 121.555 122.820 0.034 0.000 2.604 302 A HA 0.833 5.161 4.320 0.013 0.000 0.295 302 A C -0.269 177.451 177.584 0.227 0.000 1.067 302 A CA 0.330 52.504 52.037 0.228 0.000 0.683 302 A CB 2.243 21.545 19.000 0.504 0.000 1.281 302 A HN 1.692 nan 8.150 nan 0.000 0.407 303 V N -1.887 118.051 119.914 0.040 0.000 3.562 303 V HA 0.367 4.495 4.120 0.013 0.000 0.270 303 V C 0.543 176.475 176.094 -0.270 0.000 1.418 303 V CA 1.255 63.390 62.300 -0.275 0.000 1.033 303 V CB -0.235 31.508 31.823 -0.134 0.000 0.820 303 V HN 1.449 nan 8.190 nan 0.000 0.441 304 T N -1.501 113.155 114.554 0.170 0.000 2.924 304 T HA 0.859 5.217 4.350 0.013 0.000 0.291 304 T C -0.094 174.958 174.700 0.587 0.000 1.045 304 T CA -0.102 62.176 62.100 0.297 0.000 1.015 304 T CB 1.863 70.850 68.868 0.198 0.000 1.103 304 T HN 1.138 nan 8.240 nan 0.000 0.496 305 G N 0.559 109.694 108.800 0.559 0.000 2.732 305 G HA2 0.618 4.586 3.960 0.013 0.000 0.296 305 G HA3 0.618 4.586 3.960 0.013 0.000 0.296 305 G C -1.942 173.176 174.900 0.363 0.000 1.448 305 G CA -0.806 44.604 45.100 0.518 0.000 0.911 305 G HN 1.116 nan 8.290 nan 0.000 0.528 306 I N 0.469 121.187 120.570 0.247 0.000 2.692 306 I HA 0.468 4.646 4.170 0.013 0.000 0.293 306 I C -1.269 174.995 176.117 0.246 0.000 1.200 306 I CA -1.082 60.356 61.300 0.229 0.000 1.036 306 I CB 2.323 40.341 38.000 0.029 0.000 1.258 306 I HN 0.664 nan 8.210 nan 0.000 0.421 307 H N 7.230 126.394 119.070 0.157 0.000 2.878 307 H HA 0.298 4.862 4.556 0.013 0.000 0.290 307 H C -1.134 174.262 175.328 0.115 0.000 1.065 307 H CA -0.122 55.999 56.048 0.123 0.000 1.477 307 H CB 0.847 30.682 29.762 0.122 0.000 1.484 307 H HN 0.306 nan 8.280 nan 0.000 0.504 308 V N 7.751 127.898 119.914 0.389 0.000 2.326 308 V HA 0.095 4.223 4.120 0.013 0.000 0.249 308 V C 1.019 177.194 176.094 0.135 0.000 1.114 308 V CA 0.009 62.432 62.300 0.205 0.000 1.028 308 V CB -0.444 31.489 31.823 0.183 0.000 1.170 308 V HN 0.931 nan 8.190 nan 0.000 0.494 309 T N 0.742 115.278 114.554 -0.031 0.000 2.849 309 T HA 0.337 4.695 4.350 0.013 0.000 0.276 309 T C 1.084 175.788 174.700 0.007 0.000 0.971 309 T CA -0.654 61.387 62.100 -0.098 0.000 0.949 309 T CB 1.389 70.121 68.868 -0.226 0.000 1.093 309 T HN 0.413 nan 8.240 nan 0.000 0.545 310 E N 0.602 120.805 120.200 0.005 0.000 2.077 310 E HA -0.143 4.215 4.350 0.013 0.000 0.193 310 E C 2.027 178.642 176.600 0.026 0.000 0.989 310 E CA 1.418 57.831 56.400 0.023 0.000 0.800 310 E CB -0.308 29.402 29.700 0.016 0.000 0.746 310 E HN 0.727 nan 8.360 nan 0.000 0.452 311 E N 0.473 120.683 120.200 0.017 0.000 2.077 311 E HA -0.125 4.233 4.350 0.013 0.000 0.193 311 E C 2.249 178.883 176.600 0.056 0.000 0.989 311 E CA 0.833 57.248 56.400 0.024 0.000 0.800 311 E CB -0.281 29.433 29.700 0.024 0.000 0.746 311 E HN 0.015 nan 8.360 nan 0.000 0.452 312 V N 0.774 120.753 119.914 0.107 0.000 2.343 312 V HA -0.236 3.892 4.120 0.013 0.000 0.247 312 V C 2.199 178.426 176.094 0.221 0.000 1.051 312 V CA 1.473 63.920 62.300 0.244 0.000 1.036 312 V CB -0.444 31.509 31.823 0.217 0.000 0.654 312 V HN 0.265 nan 8.190 nan 0.000 0.451 313 L N -0.348 120.953 121.223 0.131 0.000 2.131 313 L HA -0.173 4.175 4.340 0.013 0.000 0.210 313 L C 2.318 179.234 176.870 0.075 0.000 1.092 313 L CA 1.417 56.322 54.840 0.109 0.000 0.759 313 L CB -0.639 41.465 42.059 0.075 0.000 0.903 313 L HN 0.353 nan 8.230 nan 0.000 0.435 314 D N -0.200 120.223 120.400 0.038 0.000 2.123 314 D HA -0.178 4.470 4.640 0.013 0.000 0.200 314 D C 2.195 178.469 176.300 -0.044 0.000 0.976 314 D CA 1.298 55.300 54.000 0.003 0.000 0.831 314 D CB 0.005 40.801 40.800 -0.007 0.000 0.974 314 D HN 0.546 nan 8.370 nan 0.000 0.469 315 Q N -1.017 118.706 119.800 -0.128 0.000 2.408 315 Q HA -0.034 4.314 4.340 0.013 0.000 0.205 315 Q C -0.295 175.437 176.000 -0.447 0.000 0.919 315 Q CA 0.372 55.982 55.803 -0.322 0.000 0.932 315 Q CB 0.116 28.560 28.738 -0.490 0.000 1.058 315 Q HN 0.172 nan 8.270 nan 0.000 0.517 316 Y N 1.449 121.810 120.300 0.102 0.000 2.712 316 Y HA 0.316 4.874 4.550 0.013 0.000 0.328 316 Y C 0.835 176.804 175.900 0.115 0.000 0.995 316 Y CA -1.399 56.780 58.100 0.132 0.000 1.283 316 Y CB 1.272 39.834 38.460 0.169 0.000 1.092 316 Y HN -0.032 nan 8.280 nan 0.000 0.519 317 K N 1.123 121.655 120.400 0.220 0.000 2.044 317 K HA -0.142 4.186 4.320 0.013 0.000 0.210 317 K C 0.569 177.326 176.600 0.262 0.000 1.049 317 K CA 1.361 57.780 56.287 0.220 0.000 0.927 317 K CB 0.093 32.724 32.500 0.218 0.000 0.713 317 K HN 0.438 nan 8.250 nan 0.000 0.443 318 S N 1.029 116.816 115.700 0.145 0.000 2.420 318 S HA 0.309 4.787 4.470 0.013 0.000 0.313 318 S C -0.234 174.465 174.600 0.166 0.000 1.079 318 S CA -0.827 57.381 58.200 0.013 0.000 1.104 318 S CB 0.373 63.431 63.200 -0.237 0.000 0.969 318 S HN 0.220 nan 8.310 nan 0.000 0.471 319 L N 7.249 128.545 121.223 0.123 0.000 2.490 319 L HA 0.269 4.617 4.340 0.013 0.000 0.274 319 L C -1.572 175.229 176.870 -0.116 0.000 1.201 319 L CA -1.369 53.500 54.840 0.048 0.000 0.869 319 L CB 0.004 42.086 42.059 0.039 0.000 1.123 319 L HN 0.500 nan 8.230 nan 0.000 0.484 320 P HA 0.030 nan 4.420 nan 0.000 0.274 320 P C 0.448 177.434 177.300 -0.522 0.000 1.246 320 P CA -0.373 62.170 63.100 -0.928 0.000 0.795 320 P CB 1.317 32.026 31.700 -1.651 0.000 1.006 321 V N -2.998 116.620 119.914 -0.493 0.000 3.649 321 V HA 0.486 4.614 4.120 0.013 0.000 0.275 321 V C 0.796 176.787 176.094 -0.172 0.000 1.281 321 V CA 0.629 62.794 62.300 -0.225 0.000 1.143 321 V CB -1.008 30.726 31.823 -0.149 0.000 0.892 321 V HN 0.972 nan 8.190 nan 0.000 0.441 322 G N -0.638 107.934 108.800 -0.380 0.000 2.408 322 G HA2 -0.006 3.962 3.960 0.013 0.000 0.682 322 G HA3 -0.006 3.962 3.960 0.013 0.000 0.682 322 G C -1.156 173.534 174.900 -0.350 0.000 1.303 322 G CA -0.589 44.329 45.100 -0.304 0.000 0.966 322 G HN 0.295 nan 8.290 nan 0.000 0.560 323 Y N -0.568 119.759 120.300 0.044 0.000 2.308 323 Y HA 0.534 5.092 4.550 0.013 0.000 0.329 323 Y C 1.457 177.400 175.900 0.071 0.000 1.111 323 Y CA -0.242 57.886 58.100 0.047 0.000 1.179 323 Y CB 1.361 39.868 38.460 0.077 0.000 1.201 323 Y HN 0.743 nan 8.280 nan 0.000 0.483 324 C N 5.899 125.287 119.300 0.146 0.000 2.662 324 C HA 0.196 4.664 4.460 0.013 0.000 0.420 324 C C 0.380 175.329 174.990 -0.068 0.000 1.314 324 C CA -1.024 58.002 59.018 0.012 0.000 1.963 324 C CB -1.031 26.705 27.740 -0.005 0.000 2.686 324 C HN 0.879 nan 8.230 nan 0.000 0.609 325 K N 4.993 125.173 120.400 -0.366 0.000 2.485 325 K HA 0.049 4.377 4.320 0.013 0.000 0.277 325 K C 1.049 177.509 176.600 -0.233 0.000 0.990 325 K CA 0.068 56.027 56.287 -0.548 0.000 0.994 325 K CB 0.336 32.077 32.500 -1.266 0.000 0.906 325 K HN 0.696 nan 8.250 nan 0.000 0.488 326 S N 1.567 117.198 115.700 -0.115 0.000 2.402 326 S HA -0.156 4.322 4.470 0.013 0.000 0.233 326 S C 1.005 175.567 174.600 -0.063 0.000 1.030 326 S CA 1.820 59.988 58.200 -0.053 0.000 1.003 326 S CB -0.362 62.832 63.200 -0.010 0.000 0.813 326 S HN 0.880 nan 8.310 nan 0.000 0.477 327 D N -0.553 119.791 120.400 -0.094 0.000 2.340 327 D HA 0.095 4.743 4.640 0.013 0.000 0.220 327 D C 0.384 176.638 176.300 -0.077 0.000 1.039 327 D CA -0.026 53.931 54.000 -0.072 0.000 0.866 327 D CB -0.549 40.211 40.800 -0.066 0.000 0.913 327 D HN 0.261 nan 8.370 nan 0.000 0.523 328 C N 0.081 119.322 119.300 -0.098 0.000 3.028 328 C HA 0.871 5.339 4.460 0.013 0.000 0.338 328 C C -0.330 174.628 174.990 -0.053 0.000 1.366 328 C CA -1.054 57.917 59.018 -0.079 0.000 1.610 328 C CB 2.060 29.733 27.740 -0.113 0.000 2.063 328 C HN 0.429 nan 8.230 nan 0.000 0.463 329 R N 0.159 120.641 120.500 -0.030 0.000 2.764 329 R HA 0.854 5.202 4.340 0.013 0.000 0.270 329 R C -2.238 174.064 176.300 0.003 0.000 1.014 329 R CA -0.683 55.411 56.100 -0.009 0.000 0.904 329 R CB 0.835 31.135 30.300 -0.001 0.000 1.236 329 R HN 0.638 nan 8.270 nan 0.000 0.466 330 L N 1.316 122.547 121.223 0.013 0.000 2.330 330 L HA 0.614 4.962 4.340 0.013 0.000 0.271 330 L C -1.057 175.825 176.870 0.019 0.000 1.013 330 L CA -1.447 53.405 54.840 0.020 0.000 0.816 330 L CB 1.845 43.915 42.059 0.019 0.000 1.287 330 L HN 0.411 nan 8.230 nan 0.000 0.435 331 L N 3.107 124.340 121.223 0.018 0.000 2.410 331 L HA 0.513 4.861 4.340 0.013 0.000 0.270 331 L C -0.759 176.118 176.870 0.012 0.000 0.983 331 L CA -0.241 54.608 54.840 0.014 0.000 0.822 331 L CB 2.097 44.160 42.059 0.007 0.000 1.285 331 L HN 0.300 nan 8.230 nan 0.000 0.409 332 I N 4.759 125.340 120.570 0.019 0.000 2.337 332 I HA 0.335 4.513 4.170 0.013 0.000 0.285 332 I C -0.029 176.095 176.117 0.013 0.000 1.041 332 I CA -0.243 61.070 61.300 0.021 0.000 1.199 332 I CB 1.094 39.122 38.000 0.046 0.000 1.370 332 I HN 0.577 nan 8.210 nan 0.000 0.470 333 M N 5.761 125.361 119.600 0.000 0.000 2.105 333 M HA 0.206 4.694 4.480 0.013 0.000 0.350 333 M C 0.605 176.903 176.300 -0.005 0.000 1.308 333 M CA -0.197 55.100 55.300 -0.005 0.000 1.108 333 M CB 0.941 33.530 32.600 -0.018 0.000 1.622 333 M HN 0.441 nan 8.290 nan 0.000 0.468 334 K N 2.085 122.485 120.400 -0.001 0.000 2.286 334 K HA -0.053 4.275 4.320 0.013 0.000 0.256 334 K C 0.220 176.817 176.600 -0.006 0.000 0.999 334 K CA -0.113 56.173 56.287 -0.002 0.000 0.908 334 K CB 0.607 33.106 32.500 -0.001 0.000 0.981 334 K HN 0.435 nan 8.250 nan 0.000 0.500 335 E N 2.939 123.136 120.200 -0.006 0.000 1.954 335 E HA -0.056 4.302 4.350 0.013 0.000 0.272 335 E C -1.246 175.351 176.600 -0.006 0.000 1.170 335 E CA 0.655 57.051 56.400 -0.007 0.000 1.101 335 E CB -0.655 29.042 29.700 -0.005 0.000 1.076 335 E HN 0.624 nan 8.360 nan 0.000 0.449 336 D N 0.625 121.021 120.400 -0.007 0.000 3.133 336 D HA -0.012 4.636 4.640 0.013 0.000 0.282 336 D C 0.579 176.875 176.300 -0.006 0.000 1.059 336 D CA 0.127 54.124 54.000 -0.005 0.000 0.721 336 D CB -0.260 40.538 40.800 -0.003 0.000 1.558 336 D HN 0.256 nan 8.370 nan 0.000 0.467 337 G N 0.712 109.509 108.800 -0.005 0.000 2.615 337 G HA2 -0.019 3.949 3.960 0.013 0.000 0.213 337 G HA3 -0.019 3.949 3.960 0.013 0.000 0.213 337 G C 0.837 175.735 174.900 -0.003 0.000 1.135 337 G CA 1.376 46.473 45.100 -0.005 0.000 0.772 337 G HN 0.407 nan 8.290 nan 0.000 0.542 338 T N 0.695 115.247 114.554 -0.002 0.000 2.910 338 T HA 0.446 4.804 4.350 0.013 0.000 0.293 338 T C 0.447 175.148 174.700 0.001 0.000 1.015 338 T CA -0.884 61.216 62.100 0.000 0.000 1.094 338 T CB 0.388 69.257 68.868 0.001 0.000 0.968 338 T HN -0.105 nan 8.240 nan 0.000 0.521 339 I N 3.162 123.735 120.570 0.004 0.000 2.662 339 I HA 0.456 4.634 4.170 0.013 0.000 0.291 339 I C 0.882 177.005 176.117 0.011 0.000 1.046 339 I CA -0.871 60.434 61.300 0.008 0.000 1.361 339 I CB 0.572 38.578 38.000 0.011 0.000 1.429 339 I HN 0.755 nan 8.210 nan 0.000 0.558 340 A N 6.910 129.739 122.820 0.016 0.000 2.312 340 A HA 0.741 5.069 4.320 0.013 0.000 0.326 340 A C -2.393 175.207 177.584 0.026 0.000 1.172 340 A CA -1.364 50.684 52.037 0.018 0.000 0.821 340 A CB 0.178 19.191 19.000 0.021 0.000 1.166 340 A HN 0.507 nan 8.150 nan 0.000 0.493 341 P HA 0.192 nan 4.420 nan 0.000 0.271 341 P C -0.754 176.569 177.300 0.039 0.000 1.218 341 P CA -0.075 63.040 63.100 0.025 0.000 0.780 341 P CB 0.380 32.087 31.700 0.013 0.000 0.901 342 D N 1.153 121.584 120.400 0.052 0.000 2.533 342 D HA 0.265 4.913 4.640 0.013 0.000 0.236 342 D C 1.530 177.875 176.300 0.076 0.000 1.137 342 D CA 2.304 56.353 54.000 0.081 0.000 0.867 342 D CB -0.075 40.775 40.800 0.083 0.000 1.170 342 D HN 0.635 nan 8.370 nan 0.000 0.474 343 G N 2.504 111.382 108.800 0.130 0.000 2.232 343 G HA2 -0.271 3.697 3.960 0.013 0.000 0.226 343 G HA3 -0.271 3.697 3.960 0.013 0.000 0.226 343 G C 0.359 175.182 174.900 -0.128 0.000 0.996 343 G CA 0.166 45.289 45.100 0.038 0.000 0.626 343 G HN 0.605 nan 8.290 nan 0.000 0.509 344 E N 1.238 121.422 120.200 -0.027 0.000 2.216 344 E HA 0.557 4.915 4.350 0.013 0.000 0.279 344 E C 0.322 176.928 176.600 0.010 0.000 0.997 344 E CA -0.794 55.570 56.400 -0.060 0.000 0.817 344 E CB 0.561 30.245 29.700 -0.026 0.000 1.096 344 E HN 0.305 nan 8.360 nan 0.000 0.393 345 K N 2.034 122.412 120.400 -0.035 0.000 2.295 345 K HA 0.457 4.785 4.320 0.013 0.000 0.270 345 K C 0.073 176.691 176.600 0.029 0.000 1.011 345 K CA 0.098 56.409 56.287 0.039 0.000 0.953 345 K CB 1.281 33.778 32.500 -0.005 0.000 0.956 345 K HN 0.667 nan 8.250 nan 0.000 0.477 346 G N 0.685 109.507 108.800 0.037 0.000 2.489 346 G HA2 0.103 4.071 3.960 0.013 0.000 0.305 346 G HA3 0.103 4.071 3.960 0.013 0.000 0.305 346 G C -1.723 173.178 174.900 0.001 0.000 1.311 346 G CA -0.701 44.407 45.100 0.013 0.000 0.813 346 G HN 0.581 nan 8.290 nan 0.000 0.480 347 E N -0.111 120.083 120.200 -0.011 0.000 2.259 347 E HA 0.424 4.782 4.350 0.013 0.000 0.281 347 E C -0.150 176.440 176.600 -0.017 0.000 1.027 347 E CA -0.573 55.813 56.400 -0.023 0.000 0.838 347 E CB 0.759 30.434 29.700 -0.042 0.000 1.066 347 E HN 0.312 nan 8.360 nan 0.000 0.401 348 I N 4.649 125.217 120.570 -0.003 0.000 2.517 348 I HA 0.050 4.228 4.170 0.013 0.000 0.285 348 I C -0.456 175.666 176.117 0.008 0.000 1.106 348 I CA -0.284 61.026 61.300 0.018 0.000 1.402 348 I CB 0.817 38.849 38.000 0.053 0.000 1.399 348 I HN 0.295 nan 8.210 nan 0.000 0.535 349 V N 8.006 127.921 119.914 0.002 0.000 2.555 349 V HA 0.479 4.607 4.120 0.013 0.000 0.302 349 V C 0.003 176.113 176.094 0.026 0.000 1.038 349 V CA -0.562 61.725 62.300 -0.021 0.000 0.887 349 V CB 2.030 33.830 31.823 -0.038 0.000 0.991 349 V HN 0.458 nan 8.190 nan 0.000 0.434 350 I N 4.917 125.517 120.570 0.049 0.000 2.441 350 I HA 0.694 4.872 4.170 0.013 0.000 0.295 350 I C -0.555 175.591 176.117 0.047 0.000 0.994 350 I CA -0.887 60.452 61.300 0.065 0.000 1.144 350 I CB 2.028 40.091 38.000 0.105 0.000 1.314 350 I HN 0.501 nan 8.210 nan 0.000 0.445 351 V N 3.748 123.677 119.914 0.025 0.000 2.760 351 V HA 1.071 5.199 4.120 0.013 0.000 0.309 351 V C -0.392 175.703 176.094 0.001 0.000 1.077 351 V CA 0.156 62.468 62.300 0.020 0.000 0.910 351 V CB 1.360 33.193 31.823 0.016 0.000 1.008 351 V HN 1.084 nan 8.190 nan 0.000 0.424 352 G N 4.915 113.715 108.800 0.000 0.000 2.369 352 G HA2 0.216 4.184 3.960 0.013 0.000 0.307 352 G HA3 0.216 4.184 3.960 0.013 0.000 0.307 352 G C -2.674 172.212 174.900 -0.025 0.000 1.327 352 G CA 0.061 45.149 45.100 -0.020 0.000 0.963 352 G HN 0.668 nan 8.290 nan 0.000 0.590 353 P HA 0.005 nan 4.420 nan 0.000 0.226 353 P C 1.443 178.709 177.300 -0.056 0.000 1.146 353 P CA 1.577 64.651 63.100 -0.044 0.000 0.773 353 P CB 0.174 31.848 31.700 -0.044 0.000 0.772 354 S N -0.713 114.952 115.700 -0.059 0.000 2.470 354 S HA 0.036 4.514 4.470 0.013 0.000 0.225 354 S C 1.000 175.558 174.600 -0.069 0.000 1.006 354 S CA 0.010 58.172 58.200 -0.064 0.000 0.934 354 S CB -0.323 62.834 63.200 -0.071 0.000 0.778 354 S HN -0.015 nan 8.310 nan 0.000 0.517 355 V N 2.835 122.727 119.914 -0.036 0.000 2.572 355 V HA 0.149 4.277 4.120 0.013 0.000 0.291 355 V C 0.689 176.778 176.094 -0.009 0.000 1.039 355 V CA -0.420 61.883 62.300 0.005 0.000 1.055 355 V CB 1.040 32.915 31.823 0.086 0.000 0.969 355 V HN 0.343 nan 8.190 nan 0.000 0.482 356 S N 3.702 119.398 115.700 -0.007 0.000 2.566 356 S HA 0.044 4.522 4.470 0.013 0.000 0.280 356 S C 1.142 175.591 174.600 -0.252 0.000 1.343 356 S CA -0.092 58.026 58.200 -0.137 0.000 1.036 356 S CB 1.148 64.246 63.200 -0.171 0.000 0.866 356 S HN 0.951 nan 8.310 nan 0.000 0.526 357 V N 1.625 121.338 119.914 -0.335 0.000 3.510 357 V HA 0.526 4.654 4.120 0.013 0.000 0.270 357 V C 1.199 176.920 176.094 -0.622 0.000 1.201 357 V CA 0.599 62.680 62.300 -0.364 0.000 1.166 357 V CB -1.818 29.858 31.823 -0.245 0.000 0.825 357 V HN 1.381 nan 8.190 nan 0.000 0.484 358 G N -1.042 107.179 108.800 -0.965 0.000 2.371 358 G HA2 0.028 3.996 3.960 0.013 0.000 0.663 358 G HA3 0.028 3.996 3.960 0.013 0.000 0.663 358 G C -1.162 173.302 174.900 -0.727 0.000 1.311 358 G CA -0.706 43.630 45.100 -1.273 0.000 0.985 358 G HN 0.194 nan 8.290 nan 0.000 0.566 359 Y N -0.321 119.780 120.300 -0.331 0.000 2.359 359 Y HA 0.497 5.055 4.550 0.013 0.000 0.334 359 Y C 1.077 176.886 175.900 -0.151 0.000 1.058 359 Y CA -0.751 57.247 58.100 -0.169 0.000 1.244 359 Y CB 1.270 39.705 38.460 -0.042 0.000 1.187 359 Y HN 0.603 nan 8.280 nan 0.000 0.510 360 L N 3.923 125.146 121.223 -0.000 0.000 2.615 360 L HA 0.255 4.603 4.340 0.013 0.000 0.271 360 L C 1.182 178.075 176.870 0.038 0.000 1.183 360 L CA 0.811 55.643 54.840 -0.014 0.000 0.933 360 L CB -0.394 41.650 42.059 -0.024 0.000 1.199 360 L HN 0.906 nan 8.230 nan 0.000 0.487 361 G N 3.066 111.880 108.800 0.023 0.000 2.203 361 G HA2 -0.285 3.683 3.960 0.013 0.000 0.263 361 G HA3 -0.285 3.683 3.960 0.013 0.000 0.263 361 G C 0.469 175.398 174.900 0.049 0.000 1.012 361 G CA 0.538 45.658 45.100 0.034 0.000 0.749 361 G HN 0.766 nan 8.290 nan 0.000 0.512 362 S N 0.502 116.243 115.700 0.068 0.000 2.150 362 S HA 0.459 4.937 4.470 0.013 0.000 0.171 362 S C -0.954 173.705 174.600 0.099 0.000 1.620 362 S CA -0.602 57.650 58.200 0.086 0.000 1.190 362 S CB 1.832 65.096 63.200 0.105 0.000 1.102 362 S HN 0.158 nan 8.310 nan 0.000 0.464 363 P HA -0.150 nan 4.420 nan 0.000 0.214 363 P C 1.457 178.802 177.300 0.076 0.000 1.163 363 P CA 1.191 64.322 63.100 0.051 0.000 0.889 363 P CB 0.222 31.941 31.700 0.032 0.000 0.790 364 E N -0.707 119.536 120.200 0.072 0.000 2.110 364 E HA -0.121 4.237 4.350 0.013 0.000 0.193 364 E C 1.999 178.670 176.600 0.118 0.000 0.988 364 E CA 1.021 57.467 56.400 0.077 0.000 0.804 364 E CB -1.096 28.637 29.700 0.055 0.000 0.745 364 E HN 0.226 nan 8.360 nan 0.000 0.458 365 L N 0.749 122.059 121.223 0.145 0.000 2.093 365 L HA -0.078 4.270 4.340 0.013 0.000 0.208 365 L C 2.356 179.494 176.870 0.446 0.000 1.085 365 L CA 1.512 56.483 54.840 0.218 0.000 0.755 365 L CB -0.968 41.150 42.059 0.099 0.000 0.904 365 L HN 0.051 nan 8.230 nan 0.000 0.435 366 T N -1.414 113.382 114.554 0.403 0.000 2.821 366 T HA -0.152 4.206 4.350 0.013 0.000 0.267 366 T C 1.809 176.687 174.700 0.297 0.000 1.046 366 T CA 1.097 63.400 62.100 0.337 0.000 1.139 366 T CB -0.048 68.836 68.868 0.027 0.000 0.871 366 T HN 0.181 nan 8.240 nan 0.000 0.454 367 E N 1.089 121.401 120.200 0.186 0.000 2.085 367 E HA -0.075 4.283 4.350 0.013 0.000 0.194 367 E C 2.103 178.789 176.600 0.143 0.000 0.994 367 E CA 1.005 57.486 56.400 0.137 0.000 0.801 367 E CB -0.093 29.661 29.700 0.089 0.000 0.743 367 E HN 0.385 nan 8.360 nan 0.000 0.453 368 K N -0.911 119.584 120.400 0.157 0.000 2.217 368 K HA 0.014 4.342 4.320 0.013 0.000 0.202 368 K C 1.528 178.182 176.600 0.090 0.000 1.051 368 K CA 1.141 57.495 56.287 0.112 0.000 0.952 368 K CB 0.092 32.653 32.500 0.102 0.000 0.736 368 K HN 0.140 nan 8.250 nan 0.000 0.453 369 A N -0.268 122.652 122.820 0.168 0.000 2.192 369 A HA 0.272 4.600 4.320 0.013 0.000 0.208 369 A C 0.020 177.500 177.584 -0.174 0.000 1.220 369 A CA -0.260 51.759 52.037 -0.029 0.000 0.900 369 A CB 0.333 19.385 19.000 0.086 0.000 0.937 369 A HN 0.123 nan 8.150 nan 0.000 0.487 370 F N 0.541 120.525 119.950 0.057 0.000 2.480 370 F HA 0.589 5.123 4.527 0.012 0.000 0.329 370 F C 0.687 176.494 175.800 0.011 0.000 1.091 370 F CA -0.010 58.017 58.000 0.044 0.000 0.972 370 F CB 2.154 41.157 39.000 0.004 0.000 1.150 370 F HN 0.097 nan 8.300 nan 0.000 0.467 371 T N -0.534 114.131 114.554 0.184 0.000 2.778 371 T HA 0.660 5.018 4.350 0.013 0.000 0.293 371 T C -0.953 173.799 174.700 0.088 0.000 1.144 371 T CA -1.111 61.050 62.100 0.102 0.000 1.010 371 T CB 1.733 70.629 68.868 0.048 0.000 1.325 371 T HN 0.304 nan 8.240 nan 0.000 0.515 372 M N 1.706 121.337 119.600 0.052 0.000 2.181 372 M HA 0.525 5.013 4.480 0.013 0.000 0.323 372 M C -1.156 175.160 176.300 0.026 0.000 1.004 372 M CA -0.760 54.563 55.300 0.037 0.000 0.941 372 M CB 1.071 33.686 32.600 0.025 0.000 1.579 372 M HN 0.624 nan 8.290 nan 0.000 0.427 373 I N 3.587 124.171 120.570 0.023 0.000 2.410 373 I HA 0.220 4.398 4.170 0.013 0.000 0.286 373 I C -0.185 175.939 176.117 0.011 0.000 1.009 373 I CA -0.453 60.856 61.300 0.015 0.000 1.111 373 I CB 1.531 39.539 38.000 0.014 0.000 1.262 373 I HN 0.668 nan 8.210 nan 0.000 0.443 374 D N 5.567 125.972 120.400 0.009 0.000 2.686 374 D HA -0.207 4.441 4.640 0.013 0.000 0.235 374 D C 1.153 177.456 176.300 0.005 0.000 1.160 374 D CA 1.526 55.529 54.000 0.006 0.000 0.645 374 D CB -0.747 40.056 40.800 0.005 0.000 1.039 374 D HN 1.177 nan 8.370 nan 0.000 0.423 375 G N -0.105 108.698 108.800 0.005 0.000 2.205 375 G HA2 -0.321 3.647 3.960 0.013 0.000 0.261 375 G HA3 -0.321 3.647 3.960 0.013 0.000 0.261 375 G C 0.115 175.017 174.900 0.003 0.000 0.980 375 G CA 0.832 45.933 45.100 0.003 0.000 0.632 375 G HN 0.711 nan 8.290 nan 0.000 0.533 376 E N -0.138 120.067 120.200 0.007 0.000 2.299 376 E HA 0.722 5.080 4.350 0.013 0.000 0.265 376 E C -0.135 176.479 176.600 0.024 0.000 0.911 376 E CA -1.384 55.022 56.400 0.009 0.000 0.789 376 E CB 1.488 31.190 29.700 0.004 0.000 1.246 376 E HN 0.288 nan 8.360 nan 0.000 0.427 377 R N 0.445 120.963 120.500 0.031 0.000 2.537 377 R HA 0.468 4.816 4.340 0.013 0.000 0.280 377 R C -0.535 175.818 176.300 0.088 0.000 1.058 377 R CA 0.024 56.168 56.100 0.072 0.000 1.057 377 R CB 0.902 31.248 30.300 0.077 0.000 0.973 377 R HN 0.607 nan 8.270 nan 0.000 0.438 378 A N 2.718 125.609 122.820 0.118 0.000 2.435 378 A HA 0.495 4.823 4.320 0.013 0.000 0.304 378 A C -1.868 175.768 177.584 0.085 0.000 1.064 378 A CA -0.613 51.473 52.037 0.082 0.000 0.727 378 A CB 1.431 20.453 19.000 0.036 0.000 1.284 378 A HN 0.716 nan 8.150 nan 0.000 0.415 379 Y N 1.266 121.476 120.300 -0.151 0.000 2.346 379 Y HA 0.521 5.079 4.550 0.013 0.000 0.332 379 Y C -0.467 175.288 175.900 -0.241 0.000 0.985 379 Y CA -0.696 57.177 58.100 -0.377 0.000 1.112 379 Y CB 1.622 39.770 38.460 -0.521 0.000 1.170 379 Y HN 0.622 nan 8.280 nan 0.000 0.447 380 K N 3.965 123.830 120.400 -0.893 0.000 2.316 380 K HA 0.151 4.479 4.320 0.013 0.000 0.289 380 K C 1.015 177.008 176.600 -1.012 0.000 1.070 380 K CA 0.426 56.320 56.287 -0.655 0.000 0.928 380 K CB 1.000 33.256 32.500 -0.407 0.000 1.039 380 K HN 0.857 nan 8.250 nan 0.000 0.480 381 T N -0.408 113.841 114.554 -0.508 0.000 2.985 381 T HA 0.034 4.392 4.350 0.013 0.000 0.266 381 T C 1.503 176.147 174.700 -0.093 0.000 1.076 381 T CA 0.668 62.637 62.100 -0.218 0.000 1.135 381 T CB -0.162 68.784 68.868 0.130 0.000 0.890 381 T HN 0.819 nan 8.240 nan 0.000 0.480 382 G N 1.167 109.901 108.800 -0.110 0.000 2.179 382 G HA2 -0.178 3.790 3.960 0.013 0.000 0.260 382 G HA3 -0.178 3.790 3.960 0.013 0.000 0.260 382 G C -0.398 174.488 174.900 -0.023 0.000 0.977 382 G CA 0.119 45.182 45.100 -0.063 0.000 0.641 382 G HN 0.613 nan 8.290 nan 0.000 0.533 383 D N 0.616 121.033 120.400 0.028 0.000 2.193 383 D HA 0.688 5.336 4.640 0.013 0.000 0.249 383 D C 0.449 176.731 176.300 -0.030 0.000 1.034 383 D CA 0.660 54.693 54.000 0.055 0.000 0.902 383 D CB 1.636 42.603 40.800 0.278 0.000 1.182 383 D HN 0.616 nan 8.370 nan 0.000 0.436 384 A N 0.678 123.421 122.820 -0.128 0.000 2.324 384 A HA 0.836 5.164 4.320 0.013 0.000 0.330 384 A C 0.280 177.776 177.584 -0.147 0.000 1.165 384 A CA -0.123 51.847 52.037 -0.111 0.000 0.813 384 A CB 1.434 20.371 19.000 -0.106 0.000 1.197 384 A HN 0.605 nan 8.150 nan 0.000 0.484 385 G N -0.283 108.497 108.800 -0.033 0.000 2.340 385 G HA2 0.618 4.586 3.960 0.013 0.000 0.299 385 G HA3 0.618 4.586 3.960 0.013 0.000 0.299 385 G C -1.408 173.590 174.900 0.163 0.000 1.291 385 G CA 0.153 45.266 45.100 0.021 0.000 0.841 385 G HN 1.910 nan 8.290 nan 0.000 0.500 386 Y N -2.630 117.677 120.300 0.011 0.000 2.670 386 Y HA 0.815 5.373 4.550 0.013 0.000 0.334 386 Y C -1.081 174.880 175.900 0.102 0.000 1.185 386 Y CA -1.619 56.495 58.100 0.024 0.000 1.053 386 Y CB 1.130 39.581 38.460 -0.016 0.000 1.298 386 Y HN 0.613 nan 8.280 nan 0.000 0.459 387 V N 1.201 121.213 119.914 0.163 0.000 2.715 387 V HA 0.524 4.652 4.120 0.013 0.000 0.310 387 V C -0.909 175.322 176.094 0.228 0.000 1.054 387 V CA -0.913 61.460 62.300 0.122 0.000 0.928 387 V CB 1.815 33.684 31.823 0.076 0.000 1.007 387 V HN 0.829 nan 8.190 nan 0.000 0.437 388 E N 2.860 123.206 120.200 0.245 0.000 2.460 388 E HA 0.352 4.710 4.350 0.013 0.000 0.249 388 E C -0.651 176.081 176.600 0.220 0.000 0.962 388 E CA -0.420 56.125 56.400 0.243 0.000 0.787 388 E CB 0.834 30.700 29.700 0.276 0.000 1.341 388 E HN 0.818 nan 8.360 nan 0.000 0.407 389 N N 2.053 120.856 118.700 0.171 0.000 2.708 389 N HA -0.276 4.472 4.740 0.013 0.000 0.255 389 N C 0.702 176.336 175.510 0.207 0.000 1.046 389 N CA 0.306 53.457 53.050 0.169 0.000 0.715 389 N CB -0.568 38.024 38.487 0.176 0.000 0.895 389 N HN 0.961 nan 8.380 nan 0.000 0.545 390 G N -0.583 108.321 108.800 0.173 0.000 2.267 390 G HA2 -0.343 3.625 3.960 0.013 0.000 0.257 390 G HA3 -0.343 3.625 3.960 0.013 0.000 0.257 390 G C 0.175 175.164 174.900 0.149 0.000 0.998 390 G CA 0.425 45.651 45.100 0.210 0.000 0.620 390 G HN 0.409 nan 8.290 nan 0.000 0.529 391 L N 1.138 122.377 121.223 0.026 0.000 2.281 391 L HA 0.595 4.943 4.340 0.013 0.000 0.285 391 L C 0.366 177.041 176.870 -0.325 0.000 1.074 391 L CA -0.930 53.690 54.840 -0.367 0.000 0.817 391 L CB 1.104 42.929 42.059 -0.389 0.000 1.168 391 L HN 0.284 nan 8.230 nan 0.000 0.434 392 L N 5.015 125.950 121.223 -0.480 0.000 2.312 392 L HA 0.474 4.822 4.340 0.013 0.000 0.281 392 L C -1.033 175.408 176.870 -0.714 0.000 1.070 392 L CA 0.435 55.027 54.840 -0.413 0.000 0.805 392 L CB 0.949 42.823 42.059 -0.309 0.000 1.174 392 L HN 0.215 nan 8.230 nan 0.000 0.434 393 F N 4.403 123.999 119.950 -0.591 0.000 2.532 393 F HA 0.374 4.909 4.527 0.013 0.000 0.321 393 F C -0.803 174.752 175.800 -0.409 0.000 1.089 393 F CA -0.422 57.217 58.000 -0.602 0.000 0.926 393 F CB 1.442 39.797 39.000 -1.075 0.000 1.168 393 F HN 0.385 nan 8.300 nan 0.000 0.459 394 Y N 3.265 123.440 120.300 -0.207 0.000 2.328 394 Y HA 0.381 4.939 4.550 0.014 0.000 0.337 394 Y C 0.394 176.288 175.900 -0.011 0.000 1.008 394 Y CA -0.373 57.632 58.100 -0.158 0.000 1.129 394 Y CB 0.776 39.139 38.460 -0.161 0.000 1.185 394 Y HN 0.597 nan 8.280 nan 0.000 0.476 395 N N 3.016 121.457 118.700 -0.431 0.000 2.482 395 N HA 0.314 5.062 4.740 0.013 0.000 0.179 395 N C 0.137 175.362 175.510 -0.475 0.000 1.039 395 N CA 1.017 53.901 53.050 -0.277 0.000 0.884 395 N CB 0.966 39.396 38.487 -0.094 0.000 1.113 395 N HN 0.878 nan 8.380 nan 0.000 0.440 396 G N 0.124 108.367 108.800 -0.928 0.000 2.337 396 G HA2 0.079 4.047 3.960 0.013 0.000 0.298 396 G HA3 0.079 4.047 3.960 0.013 0.000 0.298 396 G C -1.531 173.143 174.900 -0.376 0.000 1.335 396 G CA -0.863 43.877 45.100 -0.600 0.000 0.875 396 G HN -0.132 nan 8.290 nan 0.000 0.579 397 R N 0.498 120.912 120.500 -0.143 0.000 2.389 397 R HA 0.302 4.650 4.340 0.013 0.000 0.295 397 R C 1.713 177.941 176.300 -0.120 0.000 1.075 397 R CA -0.531 55.445 56.100 -0.206 0.000 1.005 397 R CB 0.739 30.641 30.300 -0.663 0.000 0.987 397 R HN 0.523 nan 8.270 nan 0.000 0.452 398 L N 1.657 122.827 121.223 -0.088 0.000 2.043 398 L HA -0.276 4.072 4.340 0.013 0.000 0.212 398 L C 1.378 178.261 176.870 0.022 0.000 1.075 398 L CA 1.932 56.753 54.840 -0.031 0.000 0.752 398 L CB -0.360 41.680 42.059 -0.031 0.000 0.891 398 L HN 0.626 nan 8.230 nan 0.000 0.432 399 D N -1.699 118.711 120.400 0.017 0.000 2.349 399 D HA -0.148 4.500 4.640 0.013 0.000 0.224 399 D C 1.535 178.047 176.300 0.353 0.000 1.029 399 D CA 0.587 54.666 54.000 0.132 0.000 0.879 399 D CB -0.485 40.379 40.800 0.107 0.000 0.906 399 D HN 0.341 nan 8.370 nan 0.000 0.528 400 F N -0.318 119.663 119.950 0.052 0.000 2.727 400 F HA 0.159 4.693 4.527 0.012 0.000 0.302 400 F C 0.991 176.789 175.800 -0.003 0.000 1.097 400 F CA -0.835 57.194 58.000 0.050 0.000 1.330 400 F CB 0.335 39.364 39.000 0.048 0.000 1.084 400 F HN -0.078 nan 8.300 nan 0.000 0.578 401 Q N 2.867 122.769 119.800 0.168 0.000 2.300 401 Q HA 0.130 4.478 4.340 0.013 0.000 0.262 401 Q C -0.342 175.606 176.000 -0.086 0.000 1.109 401 Q CA 0.017 55.841 55.803 0.036 0.000 0.905 401 Q CB 0.353 29.110 28.738 0.032 0.000 1.280 401 Q HN 0.454 nan 8.270 nan 0.000 0.426 402 I N 3.775 124.184 120.570 -0.268 0.000 2.440 402 I HA 0.306 4.484 4.170 0.013 0.000 0.294 402 I C -0.891 174.934 176.117 -0.487 0.000 0.995 402 I CA -0.747 60.086 61.300 -0.779 0.000 1.306 402 I CB 0.692 38.167 38.000 -0.874 0.000 1.407 402 I HN 0.623 nan 8.210 nan 0.000 0.501 403 K N 7.800 127.891 120.400 -0.515 0.000 2.425 403 K HA 0.495 4.823 4.320 0.013 0.000 0.259 403 K C -1.841 174.685 176.600 -0.122 0.000 0.978 403 K CA -0.706 55.488 56.287 -0.154 0.000 0.883 403 K CB 1.507 33.997 32.500 -0.016 0.000 1.110 403 K HN 0.614 nan 8.250 nan 0.000 0.436 404 L N 5.129 126.300 121.223 -0.087 0.000 2.276 404 L HA 0.281 4.629 4.340 0.013 0.000 0.286 404 L C -0.291 176.504 176.870 -0.125 0.000 1.024 404 L CA -0.974 53.754 54.840 -0.187 0.000 0.826 404 L CB 0.550 42.558 42.059 -0.086 0.000 1.211 404 L HN 0.782 nan 8.230 nan 0.000 0.422 405 H N 2.752 121.866 119.070 0.074 0.000 2.252 405 H HA -0.183 4.382 4.556 0.014 0.000 0.309 405 H C 1.203 176.444 175.328 -0.145 0.000 0.889 405 H CA 0.779 56.828 56.048 0.001 0.000 1.021 405 H CB -1.087 28.698 29.762 0.037 0.000 1.597 405 H HN 1.024 nan 8.280 nan 0.000 0.317 406 G N 0.733 109.469 108.800 -0.107 0.000 2.295 406 G HA2 -0.263 3.705 3.960 0.013 0.000 0.287 406 G HA3 -0.263 3.705 3.960 0.013 0.000 0.287 406 G C -0.741 173.803 174.900 -0.593 0.000 1.055 406 G CA 0.487 45.393 45.100 -0.324 0.000 0.922 406 G HN 0.696 nan 8.290 nan 0.000 0.503 407 Y N -1.563 118.650 120.300 -0.146 0.000 2.348 407 Y HA 0.511 5.069 4.550 0.013 0.000 0.321 407 Y C 0.393 176.259 175.900 -0.056 0.000 1.163 407 Y CA -1.338 56.672 58.100 -0.150 0.000 1.070 407 Y CB 1.329 39.549 38.460 -0.399 0.000 1.250 407 Y HN 0.310 nan 8.280 nan 0.000 0.425 408 R N 4.020 124.613 120.500 0.155 0.000 2.549 408 R HA 0.909 5.257 4.340 0.013 0.000 0.267 408 R C -0.775 175.572 176.300 0.078 0.000 1.045 408 R CA -0.815 55.324 56.100 0.065 0.000 1.115 408 R CB 1.238 31.561 30.300 0.039 0.000 1.121 408 R HN 0.731 nan 8.270 nan 0.000 0.543 409 M N -1.257 118.350 119.600 0.013 0.000 2.394 409 M HA 0.295 4.783 4.480 0.013 0.000 0.267 409 M C -1.658 174.635 176.300 -0.012 0.000 0.992 409 M CA -0.860 54.449 55.300 0.015 0.000 0.858 409 M CB 1.707 34.325 32.600 0.030 0.000 2.027 409 M HN 0.270 nan 8.290 nan 0.000 0.508 410 E N 2.257 122.462 120.200 0.009 0.000 2.376 410 E HA 0.185 4.543 4.350 0.013 0.000 0.266 410 E C 0.740 177.363 176.600 0.038 0.000 1.009 410 E CA -0.024 56.389 56.400 0.022 0.000 0.902 410 E CB 1.419 31.124 29.700 0.007 0.000 0.972 410 E HN 0.706 nan 8.360 nan 0.000 0.439 411 L N 3.366 124.624 121.223 0.057 0.000 2.079 411 L HA -0.263 4.085 4.340 0.013 0.000 0.210 411 L C 1.279 178.196 176.870 0.078 0.000 1.081 411 L CA 1.596 56.458 54.840 0.038 0.000 0.752 411 L CB 0.091 42.157 42.059 0.012 0.000 0.896 411 L HN 0.584 nan 8.230 nan 0.000 0.433 412 E N -0.096 120.182 120.200 0.130 0.000 2.153 412 E HA -0.293 4.065 4.350 0.013 0.000 0.194 412 E C 1.883 178.565 176.600 0.136 0.000 0.988 412 E CA 1.413 57.905 56.400 0.154 0.000 0.811 412 E CB -0.090 29.727 29.700 0.195 0.000 0.746 412 E HN 0.598 nan 8.360 nan 0.000 0.466 413 E N 0.559 120.823 120.200 0.107 0.000 2.106 413 E HA -0.153 4.205 4.350 0.013 0.000 0.192 413 E C 1.824 178.554 176.600 0.216 0.000 0.984 413 E CA 1.023 57.503 56.400 0.134 0.000 0.806 413 E CB -0.094 29.675 29.700 0.116 0.000 0.750 413 E HN 0.268 nan 8.360 nan 0.000 0.458 414 I N 0.860 121.523 120.570 0.156 0.000 2.252 414 I HA -0.217 3.961 4.170 0.013 0.000 0.245 414 I C 2.316 178.505 176.117 0.121 0.000 1.102 414 I CA 1.269 62.655 61.300 0.143 0.000 1.385 414 I CB -0.387 37.644 38.000 0.052 0.000 1.064 414 I HN 0.202 nan 8.210 nan 0.000 0.414 415 E N 0.042 120.298 120.200 0.093 0.000 2.077 415 E HA -0.284 4.074 4.350 0.013 0.000 0.193 415 E C 2.147 178.791 176.600 0.072 0.000 0.989 415 E CA 1.208 57.651 56.400 0.070 0.000 0.800 415 E CB -0.316 29.430 29.700 0.076 0.000 0.746 415 E HN 0.568 nan 8.360 nan 0.000 0.452 416 H N 0.454 119.527 119.070 0.006 0.000 2.319 416 H HA -0.159 4.405 4.556 0.013 0.000 0.299 416 H C 1.613 176.880 175.328 -0.102 0.000 1.092 416 H CA 1.969 57.976 56.048 -0.067 0.000 1.302 416 H CB -0.028 29.648 29.762 -0.144 0.000 1.373 416 H HN 0.319 nan 8.280 nan 0.000 0.497 417 H N -0.018 118.972 119.070 -0.133 0.000 2.428 417 H HA 0.001 4.565 4.556 0.013 0.000 0.296 417 H C 2.703 177.973 175.328 -0.097 0.000 1.062 417 H CA 0.846 56.794 56.048 -0.168 0.000 1.350 417 H CB 0.232 29.991 29.762 -0.005 0.000 1.403 417 H HN 0.228 nan 8.280 nan 0.000 0.533 418 L N 0.506 121.773 121.223 0.074 0.000 2.017 418 L HA -0.194 4.154 4.340 0.013 0.000 0.208 418 L C 2.193 179.088 176.870 0.041 0.000 1.073 418 L CA 1.357 56.245 54.840 0.080 0.000 0.745 418 L CB -0.144 41.953 42.059 0.065 0.000 0.894 418 L HN 0.262 nan 8.230 nan 0.000 0.432 419 R N -0.554 119.939 120.500 -0.012 0.000 2.127 419 R HA -0.157 4.191 4.340 0.013 0.000 0.238 419 R C 2.076 178.347 176.300 -0.048 0.000 1.134 419 R CA 1.255 57.342 56.100 -0.022 0.000 0.975 419 R CB -0.311 29.968 30.300 -0.035 0.000 0.865 419 R HN 0.427 nan 8.270 nan 0.000 0.447 420 A N 0.278 123.029 122.820 -0.114 0.000 2.167 420 A HA -0.007 4.321 4.320 0.013 0.000 0.214 420 A C 0.875 178.438 177.584 -0.035 0.000 1.151 420 A CA 0.156 52.132 52.037 -0.102 0.000 0.735 420 A CB -0.117 18.771 19.000 -0.187 0.000 0.802 420 A HN 0.282 nan 8.150 nan 0.000 0.467 421 C N 0.970 120.272 119.300 0.002 0.000 2.657 421 C HA 0.412 4.880 4.460 0.013 0.000 0.404 421 C C 1.197 176.180 174.990 -0.013 0.000 1.291 421 C CA -0.672 58.358 59.018 0.019 0.000 2.218 421 C CB 0.295 28.079 27.740 0.073 0.000 2.687 421 C HN 0.529 nan 8.230 nan 0.000 0.634 422 S N 1.025 116.669 115.700 -0.093 0.000 2.579 422 S HA 0.209 4.687 4.470 0.013 0.000 0.275 422 S C 0.062 174.537 174.600 -0.208 0.000 1.345 422 S CA -0.048 57.963 58.200 -0.315 0.000 1.031 422 S CB -0.183 62.632 63.200 -0.641 0.000 0.892 422 S HN 0.917 nan 8.310 nan 0.000 0.529 423 Y N -2.203 118.166 120.300 0.116 0.000 4.936 423 Y HA -0.213 4.345 4.550 0.012 0.000 0.260 423 Y C 0.061 176.043 175.900 0.137 0.000 0.928 423 Y CA 0.002 58.193 58.100 0.151 0.000 1.869 423 Y CB -2.094 36.476 38.460 0.183 0.000 1.344 423 Y HN 0.349 nan 8.280 nan 0.000 0.521 424 V N 1.697 121.731 119.914 0.201 0.000 2.384 424 V HA 0.266 4.394 4.120 0.013 0.000 0.287 424 V C 0.746 176.910 176.094 0.116 0.000 1.020 424 V CA -0.521 61.884 62.300 0.174 0.000 0.850 424 V CB 1.741 33.651 31.823 0.146 0.000 0.987 424 V HN 0.106 nan 8.190 nan 0.000 0.436 425 E N 2.916 123.189 120.200 0.121 0.000 2.473 425 E HA 0.309 4.667 4.350 0.013 0.000 0.204 425 E C 0.724 177.363 176.600 0.065 0.000 0.994 425 E CA 0.472 56.921 56.400 0.083 0.000 0.945 425 E CB 1.730 31.484 29.700 0.089 0.000 0.990 425 E HN 0.842 nan 8.360 nan 0.000 0.493 426 G N 0.108 108.954 108.800 0.076 0.000 2.667 426 G HA2 0.618 4.586 3.960 0.013 0.000 0.294 426 G HA3 0.618 4.586 3.960 0.013 0.000 0.294 426 G C -1.615 173.320 174.900 0.058 0.000 1.467 426 G CA 0.045 45.179 45.100 0.057 0.000 0.852 426 G HN 0.148 nan 8.290 nan 0.000 0.521 427 A N -0.681 122.161 122.820 0.037 0.000 2.599 427 A HA 0.949 5.277 4.320 0.013 0.000 0.294 427 A C -1.652 175.931 177.584 -0.001 0.000 1.055 427 A CA -0.163 51.883 52.037 0.015 0.000 0.683 427 A CB 1.717 20.730 19.000 0.023 0.000 1.278 427 A HN 2.270 nan 8.150 nan 0.000 0.412 428 V N 1.775 121.668 119.914 -0.036 0.000 2.851 428 V HA 0.708 4.836 4.120 0.013 0.000 0.307 428 V C -1.811 174.229 176.094 -0.090 0.000 1.129 428 V CA -0.553 61.722 62.300 -0.041 0.000 0.932 428 V CB 1.678 33.483 31.823 -0.030 0.000 1.024 428 V HN 0.877 nan 8.190 nan 0.000 0.426 429 I N 6.147 126.664 120.570 -0.088 0.000 2.331 429 I HA 0.493 4.671 4.170 0.013 0.000 0.292 429 I C -0.131 175.909 176.117 -0.129 0.000 0.998 429 I CA -0.082 61.145 61.300 -0.122 0.000 1.267 429 I CB 1.823 39.764 38.000 -0.099 0.000 1.386 429 I HN 0.432 nan 8.210 nan 0.000 0.476 430 V N 9.257 129.089 119.914 -0.136 0.000 2.328 430 V HA 0.385 4.513 4.120 0.013 0.000 0.278 430 V C -2.142 173.868 176.094 -0.139 0.000 1.021 430 V CA -1.590 60.628 62.300 -0.135 0.000 0.838 430 V CB 1.282 33.033 31.823 -0.119 0.000 0.999 430 V HN 0.584 nan 8.190 nan 0.000 0.447 431 P HA 0.310 nan 4.420 nan 0.000 0.281 431 P C -0.911 176.298 177.300 -0.151 0.000 1.252 431 P CA -0.225 62.831 63.100 -0.073 0.000 0.778 431 P CB 1.365 33.112 31.700 0.078 0.000 0.895 432 I N 3.955 124.347 120.570 -0.295 0.000 2.307 432 I HA 0.280 4.458 4.170 0.013 0.000 0.289 432 I C 0.893 176.825 176.117 -0.308 0.000 1.021 432 I CA -0.652 60.395 61.300 -0.420 0.000 1.224 432 I CB 0.654 38.092 38.000 -0.936 0.000 1.376 432 I HN 0.211 nan 8.210 nan 0.000 0.470 433 K N 5.616 125.875 120.400 -0.234 0.000 2.143 433 K HA 0.327 4.655 4.320 0.013 0.000 0.272 433 K C 0.871 177.390 176.600 -0.135 0.000 1.001 433 K CA -0.641 55.511 56.287 -0.224 0.000 0.915 433 K CB 1.917 34.223 32.500 -0.324 0.000 1.047 433 K HN 0.359 nan 8.250 nan 0.000 0.458 434 K N 0.646 120.999 120.400 -0.079 0.000 2.211 434 K HA -0.106 4.222 4.320 0.013 0.000 0.203 434 K C 1.194 177.770 176.600 -0.040 0.000 1.050 434 K CA 1.381 57.655 56.287 -0.021 0.000 0.945 434 K CB 0.118 32.631 32.500 0.023 0.000 0.732 434 K HN 0.961 nan 8.250 nan 0.000 0.451 435 G N -0.154 108.600 108.800 -0.076 0.000 3.685 435 G HA2 -0.165 3.803 3.960 0.013 0.000 0.215 435 G HA3 -0.165 3.803 3.960 0.013 0.000 0.215 435 G C 0.927 175.774 174.900 -0.088 0.000 0.987 435 G CA 0.209 45.267 45.100 -0.070 0.000 0.884 435 G HN 0.182 nan 8.290 nan 0.000 0.406 436 E N 0.332 120.480 120.200 -0.087 0.000 2.444 436 E HA 0.350 4.708 4.350 0.013 0.000 0.203 436 E C 0.933 177.455 176.600 -0.130 0.000 0.847 436 E CA 0.656 57.003 56.400 -0.088 0.000 1.142 436 E CB 0.361 30.037 29.700 -0.040 0.000 1.125 436 E HN 0.354 nan 8.360 nan 0.000 0.521 437 K N -0.813 119.531 120.400 -0.094 0.000 2.210 437 K HA 0.284 4.612 4.320 0.013 0.000 0.236 437 K C -0.970 175.540 176.600 -0.150 0.000 1.016 437 K CA -0.795 55.451 56.287 -0.068 0.000 0.913 437 K CB 0.529 33.062 32.500 0.055 0.000 1.141 437 K HN -0.107 nan 8.250 nan 0.000 0.462 438 Y N 1.635 121.910 120.300 -0.042 0.000 2.393 438 Y HA -0.015 4.542 4.550 0.012 0.000 0.338 438 Y C 0.896 176.763 175.900 -0.056 0.000 1.029 438 Y CA -0.069 57.988 58.100 -0.072 0.000 1.239 438 Y CB 0.999 39.404 38.460 -0.092 0.000 1.170 438 Y HN 0.789 nan 8.280 nan 0.000 0.515 439 D N 2.460 122.898 120.400 0.063 0.000 2.113 439 D HA -0.075 4.573 4.640 0.013 0.000 0.206 439 D C -0.466 175.986 176.300 0.253 0.000 0.979 439 D CA 1.581 55.674 54.000 0.154 0.000 0.862 439 D CB 0.186 41.049 40.800 0.104 0.000 1.013 439 D HN 0.492 nan 8.370 nan 0.000 0.455 440 Y N -2.216 118.138 120.300 0.090 0.000 2.705 440 Y HA 0.532 5.090 4.550 0.013 0.000 0.332 440 Y C -1.492 174.434 175.900 0.042 0.000 1.221 440 Y CA -1.416 56.729 58.100 0.075 0.000 1.059 440 Y CB 0.734 39.242 38.460 0.079 0.000 1.298 440 Y HN -0.191 nan 8.280 nan 0.000 0.459 441 L N 2.715 124.055 121.223 0.195 0.000 2.322 441 L HA 0.558 4.906 4.340 0.013 0.000 0.279 441 L C -1.170 175.757 176.870 0.095 0.000 1.036 441 L CA -1.126 53.738 54.840 0.041 0.000 0.807 441 L CB 1.733 43.793 42.059 0.003 0.000 1.226 441 L HN 0.638 nan 8.230 nan 0.000 0.433 442 L N 3.000 124.194 121.223 -0.048 0.000 2.349 442 L HA 0.686 5.034 4.340 0.013 0.000 0.278 442 L C -0.252 176.474 176.870 -0.241 0.000 0.996 442 L CA -0.413 54.381 54.840 -0.077 0.000 0.825 442 L CB 1.390 43.438 42.059 -0.020 0.000 1.243 442 L HN 0.633 nan 8.230 nan 0.000 0.412 443 A N 5.202 127.733 122.820 -0.481 0.000 2.289 443 A HA 0.682 5.010 4.320 0.013 0.000 0.298 443 A C -0.833 176.485 177.584 -0.442 0.000 1.208 443 A CA -0.469 51.213 52.037 -0.593 0.000 0.845 443 A CB 0.670 18.937 19.000 -1.222 0.000 1.125 443 A HN 0.547 nan 8.150 nan 0.000 0.517 444 V N 4.466 124.221 119.914 -0.265 0.000 2.328 444 V HA 0.481 4.609 4.120 0.013 0.000 0.278 444 V C 0.099 176.118 176.094 -0.126 0.000 1.021 444 V CA -0.332 61.858 62.300 -0.184 0.000 0.838 444 V CB 0.870 32.631 31.823 -0.103 0.000 0.999 444 V HN 0.940 nan 8.190 nan 0.000 0.447 445 V N 5.044 124.882 119.914 -0.126 0.000 2.864 445 V HA 0.750 4.878 4.120 0.013 0.000 0.314 445 V C -0.615 175.573 176.094 0.156 0.000 1.073 445 V CA -0.577 61.744 62.300 0.035 0.000 0.956 445 V CB 2.463 34.364 31.823 0.131 0.000 1.023 445 V HN 0.432 nan 8.190 nan 0.000 0.435 446 V N 6.709 126.720 119.914 0.163 0.000 2.333 446 V HA 0.443 4.571 4.120 0.013 0.000 0.274 446 V C -2.062 174.165 176.094 0.223 0.000 1.028 446 V CA -1.501 60.906 62.300 0.177 0.000 0.851 446 V CB 1.274 33.167 31.823 0.117 0.000 1.000 446 V HN 0.933 nan 8.190 nan 0.000 0.456 447 P HA 0.212 nan 4.420 nan 0.000 0.275 447 P C 0.270 177.719 177.300 0.249 0.000 1.227 447 P CA 0.278 63.541 63.100 0.273 0.000 0.781 447 P CB 1.462 33.300 31.700 0.230 0.000 0.906 448 G N 1.882 110.853 108.800 0.285 0.000 2.510 448 G HA2 0.164 4.132 3.960 0.013 0.000 0.280 448 G HA3 0.164 4.132 3.960 0.013 0.000 0.280 448 G C -0.572 174.490 174.900 0.270 0.000 1.386 448 G CA -0.526 44.713 45.100 0.231 0.000 1.047 448 G HN 0.582 nan 8.290 nan 0.000 0.527 449 E N -0.221 120.089 120.200 0.182 0.000 2.344 449 E HA 0.386 4.744 4.350 0.013 0.000 0.270 449 E C -0.248 176.484 176.600 0.221 0.000 1.021 449 E CA -0.145 56.313 56.400 0.096 0.000 0.887 449 E CB 0.287 30.012 29.700 0.042 0.000 0.997 449 E HN 0.687 nan 8.360 nan 0.000 0.429 450 H N -0.584 118.515 119.070 0.049 0.000 2.948 450 H HA 0.405 4.969 4.556 0.012 0.000 0.315 450 H C -0.931 174.268 175.328 -0.215 0.000 1.360 450 H CA -0.900 55.097 56.048 -0.084 0.000 1.125 450 H CB 1.172 30.879 29.762 -0.092 0.000 1.844 450 H HN 0.170 nan 8.280 nan 0.000 0.529 451 S N -0.025 115.488 115.700 -0.312 0.000 2.855 451 S HA 0.247 4.725 4.470 0.013 0.000 0.249 451 S C -0.841 173.605 174.600 -0.257 0.000 1.033 451 S CA -0.565 57.463 58.200 -0.286 0.000 1.038 451 S CB -0.439 62.595 63.200 -0.276 0.000 0.960 451 S HN 0.376 nan 8.310 nan 0.000 0.548 452 F N 3.557 123.584 119.950 0.128 0.000 2.506 452 F HA 0.136 4.670 4.527 0.012 0.000 0.371 452 F C 1.808 177.557 175.800 -0.086 0.000 1.078 452 F CA -0.434 57.509 58.000 -0.096 0.000 1.195 452 F CB 0.745 39.545 39.000 -0.334 0.000 1.099 452 F HN 0.192 nan 8.300 nan 0.000 0.548 453 E N 1.755 121.959 120.200 0.006 0.000 2.358 453 E HA -0.026 4.332 4.350 0.013 0.000 0.195 453 E C -0.122 176.411 176.600 -0.111 0.000 1.010 453 E CA 0.626 56.995 56.400 -0.051 0.000 0.856 453 E CB 0.135 29.796 29.700 -0.065 0.000 0.795 453 E HN 0.524 nan 8.360 nan 0.000 0.504 454 K N 0.292 120.556 120.400 -0.227 0.000 2.468 454 K HA 0.150 4.478 4.320 0.013 0.000 0.252 454 K C 0.366 176.688 176.600 -0.464 0.000 0.932 454 K CA -0.406 55.651 56.287 -0.384 0.000 0.794 454 K CB 2.447 34.538 32.500 -0.682 0.000 1.241 454 K HN -0.141 nan 8.250 nan 0.000 0.428 455 E N 2.715 122.727 120.200 -0.313 0.000 2.097 455 E HA -0.247 4.111 4.350 0.013 0.000 0.196 455 E C 1.252 177.693 176.600 -0.265 0.000 1.000 455 E CA 2.000 58.229 56.400 -0.284 0.000 0.804 455 E CB -0.072 29.577 29.700 -0.085 0.000 0.740 455 E HN 0.649 nan 8.360 nan 0.000 0.454 456 F N 0.196 120.073 119.950 -0.121 0.000 2.333 456 F HA -0.039 4.496 4.527 0.013 0.000 0.300 456 F C 1.849 177.512 175.800 -0.228 0.000 1.083 456 F CA 0.610 58.529 58.000 -0.134 0.000 1.395 456 F CB -0.133 38.820 39.000 -0.079 0.000 1.056 456 F HN -0.167 nan 8.300 nan 0.000 0.529 457 K N 0.562 120.626 120.400 -0.561 0.000 2.103 457 K HA -0.075 4.253 4.320 0.013 0.000 0.204 457 K C 1.986 178.065 176.600 -0.869 0.000 1.052 457 K CA 1.272 57.283 56.287 -0.461 0.000 0.945 457 K CB -0.382 31.882 32.500 -0.393 0.000 0.722 457 K HN 0.297 nan 8.250 nan 0.000 0.443 458 L N 1.335 121.898 121.223 -1.100 0.000 2.056 458 L HA -0.111 4.237 4.340 0.013 0.000 0.207 458 L C 1.974 178.395 176.870 -0.748 0.000 1.078 458 L CA 1.923 55.903 54.840 -1.433 0.000 0.749 458 L CB -0.755 40.606 42.059 -1.164 0.000 0.901 458 L HN 0.048 nan 8.230 nan 0.000 0.433 459 T N -0.752 113.523 114.554 -0.465 0.000 2.708 459 T HA -0.157 4.201 4.350 0.013 0.000 0.266 459 T C 1.959 176.382 174.700 -0.462 0.000 1.037 459 T CA 1.726 63.553 62.100 -0.456 0.000 1.146 459 T CB -0.347 68.367 68.868 -0.257 0.000 0.865 459 T HN 0.415 nan 8.240 nan 0.000 0.435 460 S N 1.363 116.890 115.700 -0.288 0.000 2.368 460 S HA -0.056 4.422 4.470 0.013 0.000 0.225 460 S C 2.574 177.059 174.600 -0.192 0.000 1.030 460 S CA 0.981 59.070 58.200 -0.185 0.000 0.999 460 S CB -0.582 62.580 63.200 -0.063 0.000 0.844 460 S HN 0.596 nan 8.310 nan 0.000 0.459 461 A N 1.469 124.125 122.820 -0.273 0.000 1.877 461 A HA -0.049 4.279 4.320 0.013 0.000 0.216 461 A C 2.081 179.620 177.584 -0.076 0.000 1.186 461 A CA 1.274 53.219 52.037 -0.153 0.000 0.620 461 A CB -0.702 18.142 19.000 -0.260 0.000 0.822 461 A HN 0.493 nan 8.150 nan 0.000 0.443 462 I N -0.769 119.706 120.570 -0.158 0.000 2.315 462 I HA -0.232 3.946 4.170 0.013 0.000 0.248 462 I C 2.445 178.516 176.117 -0.077 0.000 1.117 462 I CA 1.348 62.607 61.300 -0.069 0.000 1.404 462 I CB -0.264 37.686 38.000 -0.084 0.000 1.071 462 I HN 0.283 nan 8.210 nan 0.000 0.419 463 K N 0.950 121.236 120.400 -0.190 0.000 2.097 463 K HA -0.169 4.159 4.320 0.013 0.000 0.206 463 K C 2.133 178.707 176.600 -0.042 0.000 1.049 463 K CA 1.278 57.506 56.287 -0.098 0.000 0.933 463 K CB -0.055 32.360 32.500 -0.141 0.000 0.717 463 K HN 0.261 nan 8.250 nan 0.000 0.442 464 K N 0.832 121.205 120.400 -0.046 0.000 2.026 464 K HA -0.198 4.130 4.320 0.013 0.000 0.208 464 K C 2.153 178.750 176.600 -0.005 0.000 1.048 464 K CA 1.426 57.701 56.287 -0.019 0.000 0.929 464 K CB -0.021 32.476 32.500 -0.005 0.000 0.713 464 K HN 0.201 nan 8.250 nan 0.000 0.439 465 E N 0.670 120.875 120.200 0.009 0.000 2.106 465 E HA -0.180 4.178 4.350 0.013 0.000 0.192 465 E C 1.893 178.496 176.600 0.004 0.000 0.984 465 E CA 0.615 57.025 56.400 0.016 0.000 0.806 465 E CB 0.114 29.835 29.700 0.036 0.000 0.750 465 E HN 0.051 nan 8.360 nan 0.000 0.458 466 L N 1.829 123.059 121.223 0.013 0.000 2.201 466 L HA -0.114 4.234 4.340 0.013 0.000 0.212 466 L C 1.928 178.768 176.870 -0.049 0.000 1.105 466 L CA 1.396 56.239 54.840 0.004 0.000 0.775 466 L CB -0.679 41.417 42.059 0.061 0.000 0.913 466 L HN 0.227 nan 8.230 nan 0.000 0.440 467 N N -0.240 118.436 118.700 -0.040 0.000 2.309 467 N HA -0.184 4.564 4.740 0.013 0.000 0.182 467 N C 1.262 176.728 175.510 -0.074 0.000 1.018 467 N CA 0.945 53.959 53.050 -0.061 0.000 0.876 467 N CB 0.212 38.676 38.487 -0.040 0.000 0.972 467 N HN 0.532 nan 8.380 nan 0.000 0.434 468 E N -0.359 119.806 120.200 -0.059 0.000 2.481 468 E HA 0.019 4.377 4.350 0.013 0.000 0.195 468 E C 1.489 178.034 176.600 -0.092 0.000 1.047 468 E CA 0.316 56.681 56.400 -0.057 0.000 0.867 468 E CB 0.358 30.041 29.700 -0.029 0.000 0.858 468 E HN 0.309 nan 8.360 nan 0.000 0.513 469 R N -0.545 119.867 120.500 -0.146 0.000 2.287 469 R HA 0.281 4.629 4.340 0.013 0.000 0.197 469 R C 0.270 176.322 176.300 -0.414 0.000 0.900 469 R CA 0.246 56.172 56.100 -0.291 0.000 1.052 469 R CB 0.723 30.821 30.300 -0.337 0.000 1.117 469 R HN -0.037 nan 8.270 nan 0.000 0.568 470 L N 0.102 121.145 121.223 -0.300 0.000 2.359 470 L HA 0.547 4.895 4.340 0.013 0.000 0.256 470 L C -2.597 174.091 176.870 -0.304 0.000 1.026 470 L CA -2.669 51.986 54.840 -0.308 0.000 0.828 470 L CB 1.856 43.751 42.059 -0.273 0.000 1.406 470 L HN -0.286 nan 8.230 nan 0.000 0.413 471 P HA 0.146 nan 4.420 nan 0.000 0.272 471 P C -0.123 176.860 177.300 -0.527 0.000 1.230 471 P CA -0.240 62.518 63.100 -0.571 0.000 0.788 471 P CB 0.625 31.645 31.700 -1.133 0.000 0.949 472 N N 0.903 119.418 118.700 -0.309 0.000 2.149 472 N HA -0.233 4.515 4.740 0.013 0.000 0.188 472 N C 1.472 176.920 175.510 -0.102 0.000 1.019 472 N CA 1.347 54.316 53.050 -0.136 0.000 0.857 472 N CB -0.624 37.857 38.487 -0.010 0.000 0.997 472 N HN 0.553 nan 8.380 nan 0.000 0.426 473 Y N -1.758 118.516 120.300 -0.045 0.000 2.639 473 Y HA 0.160 4.718 4.550 0.013 0.000 0.297 473 Y C 1.516 177.405 175.900 -0.018 0.000 1.151 473 Y CA 0.375 58.476 58.100 0.001 0.000 1.335 473 Y CB -0.374 38.093 38.460 0.013 0.000 0.994 473 Y HN 0.095 nan 8.280 nan 0.000 0.548 474 M N 0.362 119.771 119.600 -0.318 0.000 2.414 474 M HA 0.234 4.722 4.480 0.013 0.000 0.251 474 M C 0.062 176.317 176.300 -0.075 0.000 1.116 474 M CA 0.173 55.371 55.300 -0.171 0.000 1.056 474 M CB 0.463 32.890 32.600 -0.289 0.000 1.388 474 M HN 0.107 nan 8.290 nan 0.000 0.487 475 I N 4.237 124.770 120.570 -0.061 0.000 2.517 475 I HA 0.088 4.266 4.170 0.013 0.000 0.285 475 I C -1.750 174.418 176.117 0.085 0.000 1.106 475 I CA -1.740 59.575 61.300 0.026 0.000 1.402 475 I CB 0.150 38.169 38.000 0.031 0.000 1.399 475 I HN -0.103 nan 8.210 nan 0.000 0.535 476 P HA -0.041 nan 4.420 nan 0.000 0.264 476 P C 0.249 177.653 177.300 0.173 0.000 1.183 476 P CA 0.002 63.126 63.100 0.040 0.000 0.763 476 P CB 0.850 32.402 31.700 -0.246 0.000 0.807 477 R N 2.349 122.941 120.500 0.153 0.000 2.073 477 R HA -0.068 4.280 4.340 0.013 0.000 0.229 477 R C 0.564 176.948 176.300 0.139 0.000 1.120 477 R CA 1.161 57.327 56.100 0.110 0.000 0.967 477 R CB 0.089 30.373 30.300 -0.027 0.000 0.862 477 R HN 0.304 nan 8.270 nan 0.000 0.436 478 K N -0.212 120.259 120.400 0.120 0.000 2.207 478 K HA 0.284 4.612 4.320 0.013 0.000 0.255 478 K C -1.641 175.000 176.600 0.068 0.000 0.941 478 K CA -0.391 55.979 56.287 0.138 0.000 0.825 478 K CB 1.017 33.572 32.500 0.092 0.000 1.119 478 K HN -0.150 nan 8.250 nan 0.000 0.430 479 F N 2.880 122.796 119.950 -0.058 0.000 2.532 479 F HA 0.571 5.106 4.527 0.013 0.000 0.321 479 F C -0.256 175.376 175.800 -0.281 0.000 1.089 479 F CA -0.612 57.265 58.000 -0.205 0.000 0.926 479 F CB 1.978 40.841 39.000 -0.228 0.000 1.168 479 F HN 0.247 nan 8.300 nan 0.000 0.459 480 M N 2.918 122.316 119.600 -0.336 0.000 2.457 480 M HA 0.458 4.946 4.480 0.013 0.000 0.300 480 M C -1.772 174.252 176.300 -0.458 0.000 1.141 480 M CA -0.644 54.508 55.300 -0.246 0.000 0.901 480 M CB 2.692 35.231 32.600 -0.102 0.000 1.687 480 M HN 0.494 nan 8.290 nan 0.000 0.449 481 Y N 1.297 121.646 120.300 0.082 0.000 2.446 481 Y HA 0.605 5.162 4.550 0.012 0.000 0.345 481 Y C -0.272 175.666 175.900 0.063 0.000 0.984 481 Y CA -0.663 57.483 58.100 0.078 0.000 1.058 481 Y CB 1.854 40.360 38.460 0.077 0.000 1.220 481 Y HN 0.529 nan 8.280 nan 0.000 0.455 482 Q N -0.769 119.152 119.800 0.203 0.000 2.534 482 Q HA 0.484 4.832 4.340 0.013 0.000 0.290 482 Q C -0.672 175.404 176.000 0.127 0.000 0.991 482 Q CA -0.968 54.916 55.803 0.135 0.000 0.783 482 Q CB 1.719 30.507 28.738 0.084 0.000 1.470 482 Q HN 0.496 nan 8.270 nan 0.000 0.406 483 S N 0.346 116.105 115.700 0.098 0.000 2.481 483 S HA 0.004 4.482 4.470 0.013 0.000 0.231 483 S C 0.409 175.054 174.600 0.075 0.000 0.996 483 S CA 1.022 59.273 58.200 0.086 0.000 0.942 483 S CB -0.157 63.085 63.200 0.069 0.000 0.768 483 S HN 0.696 nan 8.310 nan 0.000 0.520 484 S N -0.305 115.436 115.700 0.068 0.000 2.567 484 S HA 0.586 5.064 4.470 0.013 0.000 0.270 484 S C -1.218 173.412 174.600 0.049 0.000 1.152 484 S CA -1.074 57.160 58.200 0.057 0.000 0.835 484 S CB 0.699 63.929 63.200 0.050 0.000 1.115 484 S HN 0.138 nan 8.310 nan 0.000 0.459 485 I N 2.770 123.366 120.570 0.044 0.000 2.353 485 I HA 0.417 4.595 4.170 0.013 0.000 0.293 485 I C -1.934 174.206 176.117 0.038 0.000 0.992 485 I CA -2.188 59.134 61.300 0.036 0.000 1.268 485 I CB 1.548 39.569 38.000 0.035 0.000 1.387 485 I HN 0.558 nan 8.210 nan 0.000 0.478 486 P HA 0.215 nan 4.420 nan 0.000 0.271 486 P C -1.055 176.269 177.300 0.039 0.000 1.218 486 P CA -0.193 62.927 63.100 0.034 0.000 0.780 486 P CB 1.055 32.770 31.700 0.024 0.000 0.901 487 M N 1.166 120.795 119.600 0.047 0.000 2.528 487 M HA 0.283 4.771 4.480 0.013 0.000 0.321 487 M C 0.932 177.251 176.300 0.031 0.000 1.153 487 M CA -0.609 54.723 55.300 0.054 0.000 0.951 487 M CB 2.359 35.015 32.600 0.094 0.000 1.705 487 M HN 0.388 nan 8.290 nan 0.000 0.451 488 T N -1.802 112.758 114.554 0.009 0.000 2.754 488 T HA 0.312 4.670 4.350 0.013 0.000 0.286 488 T C -1.849 172.838 174.700 -0.022 0.000 0.997 488 T CA -1.324 60.765 62.100 -0.018 0.000 0.982 488 T CB 0.127 68.963 68.868 -0.054 0.000 1.027 488 T HN 0.460 nan 8.240 nan 0.000 0.529 489 P HA -0.048 nan 4.420 nan 0.000 0.222 489 P C 0.905 178.180 177.300 -0.041 0.000 1.147 489 P CA 0.798 63.882 63.100 -0.026 0.000 0.790 489 P CB -0.057 31.623 31.700 -0.034 0.000 0.780 490 N N -0.605 118.022 118.700 -0.123 0.000 2.457 490 N HA 0.005 4.753 4.740 0.013 0.000 0.180 490 N C 1.521 176.977 175.510 -0.091 0.000 1.050 490 N CA 1.463 54.377 53.050 -0.228 0.000 0.906 490 N CB -0.385 37.650 38.487 -0.754 0.000 0.968 490 N HN 0.241 nan 8.380 nan 0.000 0.445 491 G N -0.124 108.659 108.800 -0.027 0.000 2.168 491 G HA2 -0.215 3.753 3.960 0.013 0.000 0.197 491 G HA3 -0.215 3.753 3.960 0.013 0.000 0.197 491 G C 0.010 174.973 174.900 0.105 0.000 0.997 491 G CA -0.317 44.841 45.100 0.096 0.000 0.658 491 G HN 0.262 nan 8.290 nan 0.000 0.513 492 K N 0.137 120.544 120.400 0.012 0.000 2.106 492 K HA 0.625 4.953 4.320 0.013 0.000 0.246 492 K C 0.723 177.350 176.600 0.045 0.000 0.987 492 K CA -0.865 55.443 56.287 0.035 0.000 0.904 492 K CB 2.148 34.635 32.500 -0.022 0.000 1.071 492 K HN -0.003 nan 8.250 nan 0.000 0.453 493 V N 2.173 122.125 119.914 0.064 0.000 2.644 493 V HA -0.115 4.013 4.120 0.013 0.000 0.305 493 V C 0.361 176.480 176.094 0.042 0.000 1.053 493 V CA 0.566 62.899 62.300 0.056 0.000 1.186 493 V CB 0.169 32.030 31.823 0.063 0.000 0.895 493 V HN 0.670 nan 8.190 nan 0.000 0.490 494 D N 4.936 125.354 120.400 0.029 0.000 2.483 494 D HA 0.173 4.821 4.640 0.013 0.000 0.220 494 D C 1.307 177.614 176.300 0.013 0.000 1.173 494 D CA -0.093 53.919 54.000 0.019 0.000 0.964 494 D CB 0.333 41.142 40.800 0.014 0.000 1.046 494 D HN 0.449 nan 8.370 nan 0.000 0.517 495 R N 1.758 122.269 120.500 0.017 0.000 2.092 495 R HA -0.084 4.264 4.340 0.013 0.000 0.231 495 R C 1.748 178.036 176.300 -0.021 0.000 1.119 495 R CA 0.993 57.086 56.100 -0.011 0.000 0.970 495 R CB 0.331 30.618 30.300 -0.021 0.000 0.864 495 R HN 0.235 nan 8.270 nan 0.000 0.440 496 K N 0.832 121.232 120.400 -0.001 0.000 2.026 496 K HA -0.153 4.175 4.320 0.013 0.000 0.208 496 K C 2.057 178.651 176.600 -0.010 0.000 1.048 496 K CA 1.269 57.553 56.287 -0.004 0.000 0.929 496 K CB -0.077 32.429 32.500 0.009 0.000 0.713 496 K HN 0.015 nan 8.250 nan 0.000 0.439 497 K N 0.725 121.123 120.400 -0.004 0.000 2.063 497 K HA -0.187 4.141 4.320 0.013 0.000 0.208 497 K C 2.022 178.617 176.600 -0.009 0.000 1.048 497 K CA 1.168 57.453 56.287 -0.003 0.000 0.928 497 K CB -0.063 32.439 32.500 0.002 0.000 0.713 497 K HN -0.031 nan 8.250 nan 0.000 0.442 498 L N 1.383 122.598 121.223 -0.014 0.000 2.017 498 L HA -0.164 4.184 4.340 0.013 0.000 0.208 498 L C 2.322 179.172 176.870 -0.033 0.000 1.073 498 L CA 1.312 56.138 54.840 -0.022 0.000 0.745 498 L CB -0.948 41.093 42.059 -0.029 0.000 0.894 498 L HN 0.295 nan 8.230 nan 0.000 0.432 499 L N -1.413 119.785 121.223 -0.042 0.000 2.079 499 L HA -0.186 4.162 4.340 0.013 0.000 0.210 499 L C 2.691 179.539 176.870 -0.037 0.000 1.081 499 L CA 2.064 56.872 54.840 -0.053 0.000 0.752 499 L CB -0.923 41.099 42.059 -0.061 0.000 0.896 499 L HN 0.342 nan 8.230 nan 0.000 0.433 500 S N -0.405 115.280 115.700 -0.025 0.000 2.348 500 S HA -0.241 4.237 4.470 0.013 0.000 0.221 500 S C 1.897 176.490 174.600 -0.011 0.000 1.033 500 S CA 1.542 59.732 58.200 -0.016 0.000 1.010 500 S CB -0.424 62.770 63.200 -0.009 0.000 0.891 500 S HN 0.792 nan 8.310 nan 0.000 0.442 501 E N 1.017 121.213 120.200 -0.008 0.000 2.112 501 E HA -0.067 4.291 4.350 0.013 0.000 0.190 501 E C 2.226 178.826 176.600 -0.000 0.000 0.979 501 E CA 1.466 57.865 56.400 -0.001 0.000 0.814 501 E CB -0.699 29.003 29.700 0.004 0.000 0.762 501 E HN 0.603 nan 8.360 nan 0.000 0.460 502 V N -0.396 119.512 119.914 -0.009 0.000 2.515 502 V HA -0.158 3.970 4.120 0.013 0.000 0.250 502 V C 2.391 178.485 176.094 -0.000 0.000 1.058 502 V CA 2.062 64.359 62.300 -0.005 0.000 1.064 502 V CB -0.749 31.060 31.823 -0.023 0.000 0.675 502 V HN 0.265 nan 8.190 nan 0.000 0.461 503 T N 0.208 114.753 114.554 -0.014 0.000 2.857 503 T HA 0.228 4.586 4.350 0.013 0.000 0.266 503 T C 1.161 175.862 174.700 0.002 0.000 1.048 503 T CA 0.983 63.075 62.100 -0.015 0.000 1.139 503 T CB -0.512 68.336 68.868 -0.032 0.000 0.874 503 T HN 0.938 nan 8.240 nan 0.000 0.455 504 A N 0.000 122.822 122.820 0.003 0.000 2.254 504 A HA 0.000 4.328 4.320 0.013 0.000 0.244 504 A CA 0.000 52.042 52.037 0.009 0.000 0.836 504 A CB 0.000 19.004 19.000 0.007 0.000 0.831 504 A HN 0.000 nan 8.150 nan 0.000 0.486