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 1p1j_1_B DATA FIRST_RESID 10 DATA SEQUENCE TSVKVVTDKC TYKDNELLTK YSYENAVVTK TASGRFDVTP TVQDYVFKLD DATA SEQUENCE LKKPEKLGIM LIGLGGNNGS TLVASVLANK HNVEFQTKEG VKQPNYFGSM DATA SEQUENCE TQCSTLKLGI DAEGNDVYAP FNSLLPMVSP NDFVVSGWDI NNADLYEAMQ DATA SEQUENCE RSQVLEYDLQ QRLKAKMSLV KPLPSIYYPD FIAANQDERA NNCINLDEKG DATA SEQUENCE NVTTRGKWTH LQRIRRDIQN FKEENALDKV IVLWTANTER YVEVSPGVND DATA SEQUENCE TMENLLQSIK NDHEEIAPST IFAAASILEG VPYINGSPQN TFVPGLVQLA DATA SEQUENCE EHEGTFIAGD DLKSGQTKLK SVLAQFLVDA GIKPVSIASY NHLGNNDGYN DATA SEQUENCE LSAPKQFRSK EISKSSVIDD IIASNDILYN DKLGKKVDHC IVIKYMKPVG DATA SEQUENCE DSKVAMDEYY SELMLGGHNR ISIHNVCEDS LLATPLIIDL LVMTEFCTRV DATA SEQUENCE SYKKVXXXXX XXXKFENFYP VLTFLSYWLK APLTRPGFHP VNGLNKQRTA DATA SEQUENCE LENFLRLLIG LPSQNELRFE ERLL 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.699 174.700 -0.002 0.000 1.109 10 T CA 0.000 62.102 62.100 0.004 0.000 1.349 10 T CB 0.000 68.874 68.868 0.010 0.000 0.612 11 S N 2.312 118.008 115.700 -0.007 0.000 2.671 11 S HA 0.920 5.369 4.470 -0.034 0.000 0.277 11 S C -1.445 173.144 174.600 -0.018 0.000 1.165 11 S CA -0.792 57.401 58.200 -0.013 0.000 0.822 11 S CB 1.816 65.008 63.200 -0.012 0.000 1.150 11 S HN 0.830 nan 8.310 nan 0.000 0.479 12 V N 1.220 121.121 119.914 -0.021 0.000 2.638 12 V HA 0.776 4.876 4.120 -0.034 0.000 0.306 12 V C -1.023 175.063 176.094 -0.014 0.000 1.052 12 V CA -0.575 61.710 62.300 -0.025 0.000 0.885 12 V CB 1.834 33.632 31.823 -0.042 0.000 0.999 12 V HN 0.993 nan 8.190 nan 0.000 0.424 13 K N 3.833 124.225 120.400 -0.014 0.000 2.535 13 K HA 0.648 4.948 4.320 -0.034 0.000 0.253 13 K C -1.413 175.188 176.600 0.002 0.000 0.953 13 K CA -0.354 55.930 56.287 -0.004 0.000 0.863 13 K CB 1.671 34.158 32.500 -0.021 0.000 1.111 13 K HN 0.418 nan 8.250 nan 0.000 0.431 14 V N 4.698 124.624 119.914 0.021 0.000 2.439 14 V HA 0.342 4.442 4.120 -0.034 0.000 0.282 14 V C -0.210 175.904 176.094 0.034 0.000 1.039 14 V CA -1.055 61.256 62.300 0.018 0.000 0.913 14 V CB 1.667 33.498 31.823 0.014 0.000 0.983 14 V HN 0.511 nan 8.190 nan 0.000 0.460 15 V N 4.881 124.808 119.914 0.023 0.000 2.387 15 V HA 0.455 4.555 4.120 -0.034 0.000 0.260 15 V C 0.390 176.505 176.094 0.035 0.000 1.054 15 V CA 0.443 62.760 62.300 0.028 0.000 0.967 15 V CB 0.585 32.419 31.823 0.017 0.000 1.036 15 V HN 1.034 nan 8.190 nan 0.000 0.481 16 T N 2.208 116.791 114.554 0.050 0.000 2.942 16 T HA 0.310 4.640 4.350 -0.034 0.000 0.327 16 T C -0.013 174.723 174.700 0.060 0.000 1.360 16 T CA -0.384 61.746 62.100 0.051 0.000 1.055 16 T CB 1.803 70.701 68.868 0.051 0.000 1.261 16 T HN 0.746 nan 8.240 nan 0.000 0.485 17 D N 2.104 122.536 120.400 0.054 0.000 2.328 17 D HA 0.152 4.772 4.640 -0.034 0.000 0.221 17 D C 1.083 177.419 176.300 0.060 0.000 1.072 17 D CA 0.074 54.108 54.000 0.055 0.000 0.850 17 D CB 0.212 41.040 40.800 0.046 0.000 0.922 17 D HN 0.538 nan 8.370 nan 0.000 0.516 18 K N -0.518 119.921 120.400 0.065 0.000 2.361 18 K HA 0.145 4.445 4.320 -0.034 0.000 0.196 18 K C -0.026 176.612 176.600 0.064 0.000 1.039 18 K CA 0.190 56.523 56.287 0.076 0.000 1.001 18 K CB 0.370 32.926 32.500 0.093 0.000 0.795 18 K HN 0.152 nan 8.250 nan 0.000 0.495 19 C N 1.578 120.906 119.300 0.047 0.000 2.417 19 C HA 0.474 4.914 4.460 -0.034 0.000 0.324 19 C C 0.242 175.238 174.990 0.009 0.000 1.240 19 C CA -0.905 58.108 59.018 -0.008 0.000 1.632 19 C CB 1.159 28.887 27.740 -0.020 0.000 2.241 19 C HN 0.349 nan 8.230 nan 0.000 0.499 20 T N -0.013 114.494 114.554 -0.079 0.000 2.916 20 T HA 0.624 4.954 4.350 -0.034 0.000 0.298 20 T C -1.373 173.256 174.700 -0.117 0.000 1.031 20 T CA -0.472 61.635 62.100 0.012 0.000 0.993 20 T CB 0.809 69.700 68.868 0.039 0.000 1.045 20 T HN 0.467 nan 8.240 nan 0.000 0.454 21 Y N 1.469 121.777 120.300 0.013 0.000 2.328 21 Y HA 0.666 5.196 4.550 -0.034 0.000 0.337 21 Y C 0.547 176.448 175.900 0.001 0.000 1.008 21 Y CA -0.923 57.179 58.100 0.003 0.000 1.129 21 Y CB 1.752 40.212 38.460 0.000 0.000 1.185 21 Y HN 0.729 nan 8.280 nan 0.000 0.476 22 K N 3.355 123.813 120.400 0.097 0.000 2.668 22 K HA 0.264 4.564 4.320 -0.034 0.000 0.246 22 K C -1.607 175.013 176.600 0.034 0.000 0.976 22 K CA -0.520 55.801 56.287 0.057 0.000 0.902 22 K CB 0.578 33.093 32.500 0.026 0.000 1.172 22 K HN 0.696 nan 8.250 nan 0.000 0.452 23 D N 3.484 123.909 120.400 0.042 0.000 2.956 23 D HA -0.163 4.457 4.640 -0.034 0.000 0.240 23 D C -0.739 175.574 176.300 0.022 0.000 1.141 23 D CA 1.299 55.313 54.000 0.023 0.000 0.820 23 D CB -1.261 39.542 40.800 0.006 0.000 0.988 23 D HN 0.933 nan 8.370 nan 0.000 0.417 24 N N -1.045 117.684 118.700 0.048 0.000 2.708 24 N HA -0.258 4.462 4.740 -0.034 0.000 0.249 24 N C -0.431 175.096 175.510 0.028 0.000 1.097 24 N CA 1.622 54.703 53.050 0.051 0.000 0.710 24 N CB -0.367 38.135 38.487 0.025 0.000 1.032 24 N HN 0.615 nan 8.380 nan 0.000 0.551 25 E N -0.178 120.034 120.200 0.020 0.000 2.256 25 E HA 0.588 4.918 4.350 -0.034 0.000 0.268 25 E C -1.521 175.011 176.600 -0.112 0.000 0.877 25 E CA -0.922 55.444 56.400 -0.057 0.000 0.757 25 E CB 1.159 30.806 29.700 -0.089 0.000 1.183 25 E HN 0.217 nan 8.360 nan 0.000 0.418 26 L N 5.038 126.143 121.223 -0.196 0.000 2.282 26 L HA 0.499 4.819 4.340 -0.034 0.000 0.288 26 L C -1.751 174.968 176.870 -0.253 0.000 1.033 26 L CA -0.490 54.114 54.840 -0.394 0.000 0.807 26 L CB 0.766 42.578 42.059 -0.413 0.000 1.209 26 L HN 0.452 nan 8.230 nan 0.000 0.423 27 L N 5.147 126.233 121.223 -0.227 0.000 2.305 27 L HA 0.577 4.897 4.340 -0.034 0.000 0.284 27 L C -0.307 176.548 176.870 -0.026 0.000 1.013 27 L CA -0.161 54.638 54.840 -0.069 0.000 0.819 27 L CB 1.395 43.447 42.059 -0.013 0.000 1.227 27 L HN 0.658 nan 8.230 nan 0.000 0.417 28 T N 3.165 117.770 114.554 0.086 0.000 2.841 28 T HA 0.402 4.732 4.350 -0.034 0.000 0.285 28 T C -0.031 174.823 174.700 0.256 0.000 0.991 28 T CA -0.771 61.404 62.100 0.125 0.000 0.966 28 T CB 2.053 70.968 68.868 0.078 0.000 0.962 28 T HN 0.329 nan 8.240 nan 0.000 0.438 29 K N 2.329 122.861 120.400 0.220 0.000 2.174 29 K HA 0.511 4.811 4.320 -0.034 0.000 0.275 29 K C -1.206 175.615 176.600 0.369 0.000 1.015 29 K CA -0.660 55.785 56.287 0.263 0.000 0.933 29 K CB 1.074 33.673 32.500 0.165 0.000 1.025 29 K HN 0.665 nan 8.250 nan 0.000 0.463 30 Y N 0.287 120.758 120.300 0.286 0.000 2.442 30 Y HA 0.156 4.686 4.550 -0.033 0.000 0.330 30 Y C -1.169 174.933 175.900 0.336 0.000 1.100 30 Y CA -0.646 57.634 58.100 0.300 0.000 1.034 30 Y CB 2.056 40.739 38.460 0.371 0.000 1.285 30 Y HN 0.554 nan 8.280 nan 0.000 0.440 31 S N 6.288 121.698 115.700 -0.484 0.000 2.420 31 S HA 0.290 4.739 4.470 -0.034 0.000 0.313 31 S C -1.433 172.822 174.600 -0.574 0.000 1.079 31 S CA -0.367 57.641 58.200 -0.319 0.000 1.104 31 S CB -0.047 63.041 63.200 -0.188 0.000 0.969 31 S HN 0.624 nan 8.310 nan 0.000 0.471 32 Y N 4.437 124.611 120.300 -0.210 0.000 2.383 32 Y HA 0.412 4.942 4.550 -0.034 0.000 0.344 32 Y C 0.097 176.033 175.900 0.059 0.000 0.986 32 Y CA -0.277 57.850 58.100 0.046 0.000 1.175 32 Y CB 0.476 39.224 38.460 0.481 0.000 1.152 32 Y HN 0.609 nan 8.280 nan 0.000 0.511 33 E N 5.730 125.643 120.200 -0.478 0.000 2.195 33 E HA 0.352 4.682 4.350 -0.034 0.000 0.271 33 E C -1.106 175.114 176.600 -0.635 0.000 0.923 33 E CA -0.887 55.250 56.400 -0.438 0.000 0.790 33 E CB 2.167 31.741 29.700 -0.209 0.000 1.155 33 E HN 0.799 nan 8.360 nan 0.000 0.402 34 N N 0.227 118.682 118.700 -0.409 0.000 3.449 34 N HA 0.709 5.428 4.740 -0.034 0.000 0.312 34 N C -2.051 173.392 175.510 -0.112 0.000 1.582 34 N CA -0.635 52.260 53.050 -0.260 0.000 0.850 34 N CB 1.643 39.989 38.487 -0.235 0.000 1.822 34 N HN 0.422 nan 8.380 nan 0.000 0.577 35 A N 0.592 123.385 122.820 -0.045 0.000 2.566 35 A HA 0.524 4.823 4.320 -0.034 0.000 0.297 35 A C -1.693 175.899 177.584 0.012 0.000 1.059 35 A CA -0.380 51.648 52.037 -0.016 0.000 0.691 35 A CB 1.234 20.225 19.000 -0.015 0.000 1.282 35 A HN 0.253 nan 8.150 nan 0.000 0.401 36 V N 1.790 121.715 119.914 0.020 0.000 2.427 36 V HA 0.599 4.699 4.120 -0.034 0.000 0.286 36 V C -0.207 175.911 176.094 0.039 0.000 1.034 36 V CA -0.411 61.907 62.300 0.030 0.000 0.893 36 V CB 1.456 33.295 31.823 0.027 0.000 0.982 36 V HN 0.731 nan 8.190 nan 0.000 0.452 37 V N 3.654 123.601 119.914 0.053 0.000 2.680 37 V HA 0.779 4.879 4.120 -0.034 0.000 0.309 37 V C 0.020 176.170 176.094 0.094 0.000 1.052 37 V CA -0.492 61.861 62.300 0.089 0.000 0.908 37 V CB 2.304 34.198 31.823 0.119 0.000 1.001 37 V HN 1.013 nan 8.190 nan 0.000 0.431 38 T N 0.627 115.241 114.554 0.100 0.000 2.893 38 T HA 0.649 4.978 4.350 -0.034 0.000 0.293 38 T C -0.979 173.737 174.700 0.028 0.000 1.027 38 T CA -0.872 61.261 62.100 0.055 0.000 0.988 38 T CB 2.078 70.959 68.868 0.021 0.000 1.043 38 T HN 0.664 nan 8.240 nan 0.000 0.461 39 K N 2.185 122.553 120.400 -0.053 0.000 2.292 39 K HA 0.561 4.861 4.320 -0.034 0.000 0.257 39 K C 0.179 176.663 176.600 -0.192 0.000 0.940 39 K CA -0.571 55.565 56.287 -0.252 0.000 0.811 39 K CB 1.515 33.762 32.500 -0.423 0.000 1.120 39 K HN 0.943 nan 8.250 nan 0.000 0.428 40 T N 0.426 114.857 114.554 -0.206 0.000 2.874 40 T HA 0.326 4.656 4.350 -0.034 0.000 0.281 40 T C 1.343 175.960 174.700 -0.138 0.000 0.994 40 T CA -0.253 61.768 62.100 -0.132 0.000 1.015 40 T CB 1.571 70.380 68.868 -0.098 0.000 1.028 40 T HN 0.576 nan 8.240 nan 0.000 0.523 41 A N 1.303 124.069 122.820 -0.090 0.000 1.972 41 A HA -0.038 4.262 4.320 -0.034 0.000 0.219 41 A C 2.480 180.017 177.584 -0.078 0.000 1.169 41 A CA 1.890 53.882 52.037 -0.075 0.000 0.635 41 A CB -1.441 17.530 19.000 -0.049 0.000 0.810 41 A HN 1.201 nan 8.150 nan 0.000 0.446 42 S N -1.606 114.048 115.700 -0.076 0.000 2.595 42 S HA 0.307 4.757 4.470 -0.034 0.000 0.235 42 S C 1.388 175.937 174.600 -0.086 0.000 0.974 42 S CA 1.050 59.211 58.200 -0.064 0.000 0.942 42 S CB -0.601 62.570 63.200 -0.049 0.000 0.766 42 S HN 1.977 nan 8.310 nan 0.000 0.536 43 G N 1.140 109.853 108.800 -0.146 0.000 2.132 43 G HA2 -0.271 3.669 3.960 -0.034 0.000 0.228 43 G HA3 -0.271 3.669 3.960 -0.034 0.000 0.228 43 G C -0.066 174.671 174.900 -0.271 0.000 1.000 43 G CA 0.002 44.974 45.100 -0.213 0.000 0.693 43 G HN 0.729 nan 8.290 nan 0.000 0.515 44 R N -0.355 120.000 120.500 -0.241 0.000 2.312 44 R HA 0.629 4.949 4.340 -0.034 0.000 0.311 44 R C -0.713 175.445 176.300 -0.236 0.000 1.004 44 R CA -0.795 55.214 56.100 -0.152 0.000 0.902 44 R CB 0.257 30.522 30.300 -0.057 0.000 1.073 44 R HN -0.007 nan 8.270 nan 0.000 0.457 45 F N 3.192 123.145 119.950 0.006 0.000 2.391 45 F HA 0.216 4.723 4.527 -0.034 0.000 0.359 45 F C 0.200 176.003 175.800 0.005 0.000 1.122 45 F CA -0.298 57.706 58.000 0.006 0.000 1.120 45 F CB 1.195 40.200 39.000 0.008 0.000 1.142 45 F HN 0.311 nan 8.300 nan 0.000 0.483 46 D N 3.947 124.433 120.400 0.143 0.000 2.317 46 D HA 0.278 4.898 4.640 -0.034 0.000 0.234 46 D C -0.557 175.799 176.300 0.093 0.000 1.112 46 D CA 0.021 54.074 54.000 0.089 0.000 0.840 46 D CB 2.113 42.938 40.800 0.043 0.000 1.078 46 D HN 0.111 nan 8.370 nan 0.000 0.486 47 V N 2.769 122.729 119.914 0.077 0.000 2.370 47 V HA 0.291 4.391 4.120 -0.034 0.000 0.283 47 V C 0.421 176.534 176.094 0.031 0.000 1.023 47 V CA -0.436 61.896 62.300 0.054 0.000 0.857 47 V CB 1.715 33.563 31.823 0.042 0.000 0.985 47 V HN 0.433 nan 8.190 nan 0.000 0.443 48 T N 7.440 122.009 114.554 0.024 0.000 2.842 48 T HA 0.387 4.717 4.350 -0.034 0.000 0.308 48 T C -2.590 172.112 174.700 0.003 0.000 1.041 48 T CA -1.198 60.910 62.100 0.013 0.000 0.964 48 T CB 1.478 70.354 68.868 0.014 0.000 0.972 48 T HN 0.390 nan 8.240 nan 0.000 0.460 49 P HA 0.234 nan 4.420 nan 0.000 0.269 49 P C -0.041 177.244 177.300 -0.025 0.000 1.209 49 P CA -0.175 62.911 63.100 -0.023 0.000 0.776 49 P CB 0.500 32.184 31.700 -0.025 0.000 0.876 50 T N -0.935 113.593 114.554 -0.043 0.000 2.916 50 T HA 0.733 5.063 4.350 -0.034 0.000 0.292 50 T C -0.905 173.758 174.700 -0.061 0.000 1.055 50 T CA -0.900 61.181 62.100 -0.032 0.000 1.009 50 T CB 1.506 70.371 68.868 -0.005 0.000 1.118 50 T HN 0.252 nan 8.240 nan 0.000 0.497 51 V N 0.860 120.755 119.914 -0.032 0.000 2.932 51 V HA 0.815 4.915 4.120 -0.034 0.000 0.307 51 V C -2.127 173.972 176.094 0.008 0.000 1.147 51 V CA -0.483 61.797 62.300 -0.034 0.000 0.951 51 V CB 2.253 34.048 31.823 -0.046 0.000 1.031 51 V HN 1.243 nan 8.190 nan 0.000 0.426 52 Q N 3.713 123.546 119.800 0.055 0.000 2.263 52 Q HA 0.450 4.770 4.340 -0.034 0.000 0.262 52 Q C -1.660 174.309 176.000 -0.052 0.000 0.984 52 Q CA -0.358 55.436 55.803 -0.016 0.000 0.813 52 Q CB 1.939 30.700 28.738 0.037 0.000 1.299 52 Q HN 0.802 nan 8.270 nan 0.000 0.428 53 D N 3.084 123.391 120.400 -0.154 0.000 2.255 53 D HA 0.347 4.966 4.640 -0.034 0.000 0.249 53 D C -0.582 175.595 176.300 -0.206 0.000 1.078 53 D CA 0.372 54.331 54.000 -0.069 0.000 0.896 53 D CB 0.790 41.564 40.800 -0.043 0.000 1.194 53 D HN 0.454 nan 8.370 nan 0.000 0.429 54 Y N -0.666 119.721 120.300 0.145 0.000 2.638 54 Y HA 0.459 4.989 4.550 -0.033 0.000 0.339 54 Y C -0.239 175.740 175.900 0.132 0.000 1.084 54 Y CA -1.024 57.131 58.100 0.091 0.000 1.068 54 Y CB 1.879 40.377 38.460 0.064 0.000 1.294 54 Y HN -0.013 nan 8.280 nan 0.000 0.480 55 V N 2.447 122.499 119.914 0.230 0.000 2.447 55 V HA 0.351 4.451 4.120 -0.034 0.000 0.292 55 V C -1.182 175.082 176.094 0.284 0.000 1.021 55 V CA -0.898 61.562 62.300 0.268 0.000 0.850 55 V CB 0.816 32.761 31.823 0.203 0.000 1.005 55 V HN 0.487 nan 8.190 nan 0.000 0.426 56 F N 3.449 123.593 119.950 0.323 0.000 2.399 56 F HA 0.578 5.084 4.527 -0.034 0.000 0.334 56 F C 0.414 176.280 175.800 0.109 0.000 1.097 56 F CA -0.347 57.809 58.000 0.259 0.000 1.076 56 F CB 1.472 40.551 39.000 0.132 0.000 1.162 56 F HN 0.265 nan 8.300 nan 0.000 0.495 57 K N 3.769 124.248 120.400 0.132 0.000 2.376 57 K HA 0.572 4.872 4.320 -0.034 0.000 0.257 57 K C -2.011 174.517 176.600 -0.120 0.000 0.939 57 K CA -0.854 55.333 56.287 -0.167 0.000 0.809 57 K CB 1.558 33.650 32.500 -0.680 0.000 1.121 57 K HN 0.611 nan 8.250 nan 0.000 0.425 58 L N 4.297 125.440 121.223 -0.134 0.000 2.319 58 L HA 0.334 4.654 4.340 -0.034 0.000 0.281 58 L C -0.948 175.839 176.870 -0.139 0.000 1.005 58 L CA -0.320 54.431 54.840 -0.147 0.000 0.828 58 L CB 1.394 43.365 42.059 -0.148 0.000 1.227 58 L HN 0.608 nan 8.230 nan 0.000 0.415 59 D N 4.473 124.792 120.400 -0.134 0.000 2.346 59 D HA 0.074 4.694 4.640 -0.034 0.000 0.260 59 D C 0.949 177.214 176.300 -0.059 0.000 1.252 59 D CA 0.249 54.193 54.000 -0.093 0.000 0.895 59 D CB 0.734 41.484 40.800 -0.084 0.000 1.097 59 D HN 0.675 nan 8.370 nan 0.000 0.489 60 L N 2.837 124.047 121.223 -0.021 0.000 2.478 60 L HA 0.005 4.325 4.340 -0.034 0.000 0.223 60 L C 1.481 178.368 176.870 0.029 0.000 1.140 60 L CA 0.450 55.305 54.840 0.025 0.000 0.842 60 L CB -0.224 41.877 42.059 0.070 0.000 0.953 60 L HN 0.144 nan 8.230 nan 0.000 0.452 61 K N 2.952 123.359 120.400 0.012 0.000 2.219 61 K HA 0.117 4.417 4.320 -0.034 0.000 0.280 61 K C -0.202 176.410 176.600 0.020 0.000 1.104 61 K CA 0.010 56.306 56.287 0.016 0.000 0.925 61 K CB 0.303 32.806 32.500 0.005 0.000 1.261 61 K HN 0.250 nan 8.250 nan 0.000 0.445 62 K N 3.645 124.067 120.400 0.037 0.000 2.118 62 K HA 0.448 4.748 4.320 -0.034 0.000 0.264 62 K C -2.211 174.416 176.600 0.045 0.000 1.000 62 K CA -1.702 54.615 56.287 0.051 0.000 0.929 62 K CB 0.494 33.042 32.500 0.082 0.000 1.021 62 K HN 0.180 nan 8.250 nan 0.000 0.463 63 P HA -0.002 nan 4.420 nan 0.000 0.268 63 P C -0.401 176.928 177.300 0.048 0.000 1.205 63 P CA 0.065 63.190 63.100 0.041 0.000 0.771 63 P CB 0.843 32.569 31.700 0.044 0.000 0.858 64 E N 1.114 121.334 120.200 0.033 0.000 2.208 64 E HA -0.057 4.273 4.350 -0.034 0.000 0.193 64 E C 0.221 176.847 176.600 0.043 0.000 0.988 64 E CA 0.958 57.377 56.400 0.032 0.000 0.828 64 E CB 0.119 29.829 29.700 0.018 0.000 0.763 64 E HN 0.357 nan 8.360 nan 0.000 0.478 65 K N 0.709 121.136 120.400 0.045 0.000 2.501 65 K HA 0.348 4.648 4.320 -0.034 0.000 0.252 65 K C -1.358 175.284 176.600 0.070 0.000 0.934 65 K CA -0.848 55.477 56.287 0.062 0.000 0.797 65 K CB 2.381 34.898 32.500 0.028 0.000 1.270 65 K HN -0.088 nan 8.250 nan 0.000 0.431 66 L N 1.274 122.572 121.223 0.126 0.000 2.305 66 L HA 0.567 4.886 4.340 -0.034 0.000 0.284 66 L C 0.081 176.985 176.870 0.057 0.000 1.013 66 L CA -0.047 54.844 54.840 0.085 0.000 0.819 66 L CB 1.683 43.806 42.059 0.107 0.000 1.227 66 L HN 0.699 nan 8.230 nan 0.000 0.417 67 G N 6.137 114.972 108.800 0.059 0.000 2.380 67 G HA2 0.509 4.449 3.960 -0.034 0.000 0.262 67 G HA3 0.509 4.449 3.960 -0.034 0.000 0.262 67 G C -0.651 174.345 174.900 0.160 0.000 1.243 67 G CA -0.349 44.882 45.100 0.218 0.000 0.865 67 G HN 0.471 nan 8.290 nan 0.000 0.513 68 I N 2.646 123.291 120.570 0.124 0.000 2.447 68 I HA 0.333 4.483 4.170 -0.034 0.000 0.287 68 I C -0.145 175.835 176.117 -0.229 0.000 1.023 68 I CA -0.637 60.592 61.300 -0.118 0.000 1.083 68 I CB 1.785 39.626 38.000 -0.265 0.000 1.245 68 I HN 0.366 nan 8.210 nan 0.000 0.434 69 M N 7.241 126.708 119.600 -0.222 0.000 2.085 69 M HA 0.491 4.951 4.480 -0.034 0.000 0.309 69 M C -0.892 175.341 176.300 -0.111 0.000 0.947 69 M CA -0.449 54.636 55.300 -0.358 0.000 0.918 69 M CB 1.995 34.371 32.600 -0.374 0.000 1.504 69 M HN 0.294 nan 8.290 nan 0.000 0.420 70 L N 4.756 125.876 121.223 -0.172 0.000 2.282 70 L HA 0.572 4.892 4.340 -0.034 0.000 0.288 70 L C -0.412 176.429 176.870 -0.049 0.000 1.033 70 L CA -0.715 54.061 54.840 -0.105 0.000 0.807 70 L CB 1.358 43.329 42.059 -0.145 0.000 1.209 70 L HN 0.648 nan 8.230 nan 0.000 0.423 71 I N 3.081 123.563 120.570 -0.148 0.000 2.337 71 I HA 0.342 4.492 4.170 -0.034 0.000 0.291 71 I C 0.992 176.779 176.117 -0.550 0.000 1.046 71 I CA 0.182 61.242 61.300 -0.401 0.000 1.324 71 I CB 0.943 38.408 38.000 -0.892 0.000 1.409 71 I HN 0.907 nan 8.210 nan 0.000 0.494 72 G N 4.683 113.247 108.800 -0.393 0.000 2.167 72 G HA2 -0.227 3.713 3.960 -0.034 0.000 0.194 72 G HA3 -0.227 3.713 3.960 -0.034 0.000 0.194 72 G C 0.471 175.243 174.900 -0.214 0.000 1.027 72 G CA -0.061 44.833 45.100 -0.344 0.000 0.717 72 G HN 0.609 nan 8.290 nan 0.000 0.501 73 L N 0.875 121.998 121.223 -0.168 0.000 2.129 73 L HA 0.187 4.507 4.340 -0.034 0.000 0.212 73 L C 2.374 179.179 176.870 -0.108 0.000 1.087 73 L CA 3.316 58.074 54.840 -0.136 0.000 0.757 73 L CB -0.390 41.580 42.059 -0.148 0.000 0.896 73 L HN 0.491 nan 8.230 nan 0.000 0.434 74 G N -1.296 107.442 108.800 -0.102 0.000 3.088 74 G HA2 0.275 4.215 3.960 -0.034 0.000 0.212 74 G HA3 0.275 4.215 3.960 -0.034 0.000 0.212 74 G C 0.742 175.594 174.900 -0.079 0.000 1.173 74 G CA 0.237 45.288 45.100 -0.082 0.000 0.779 74 G HN 0.615 nan 8.290 nan 0.000 0.540 75 G N 0.110 108.856 108.800 -0.089 0.000 2.563 75 G HA2 0.247 4.187 3.960 -0.034 0.000 0.283 75 G HA3 0.247 4.187 3.960 -0.034 0.000 0.283 75 G C 0.826 175.693 174.900 -0.055 0.000 1.309 75 G CA -0.371 44.685 45.100 -0.073 0.000 1.022 75 G HN 0.099 nan 8.290 nan 0.000 0.501 76 N N 0.107 118.786 118.700 -0.036 0.000 2.043 76 N HA -0.137 4.583 4.740 -0.034 0.000 0.193 76 N C 2.087 177.583 175.510 -0.024 0.000 1.037 76 N CA 1.468 54.504 53.050 -0.024 0.000 0.851 76 N CB -0.178 38.307 38.487 -0.004 0.000 1.027 76 N HN 0.416 nan 8.380 nan 0.000 0.422 77 N N -0.096 118.590 118.700 -0.022 0.000 2.142 77 N HA -0.036 4.684 4.740 -0.034 0.000 0.186 77 N C 1.804 177.297 175.510 -0.029 0.000 1.023 77 N CA 1.254 54.295 53.050 -0.016 0.000 0.852 77 N CB -0.896 37.584 38.487 -0.012 0.000 0.998 77 N HN 0.322 nan 8.380 nan 0.000 0.424 78 G N 0.557 109.324 108.800 -0.056 0.000 2.446 78 G HA2 -0.258 3.682 3.960 -0.034 0.000 0.217 78 G HA3 -0.258 3.682 3.960 -0.034 0.000 0.217 78 G C 1.706 176.578 174.900 -0.045 0.000 1.168 78 G CA 1.594 46.655 45.100 -0.065 0.000 0.771 78 G HN 0.514 nan 8.290 nan 0.000 0.551 79 S N -0.155 115.518 115.700 -0.046 0.000 2.402 79 S HA -0.079 4.371 4.470 -0.034 0.000 0.229 79 S C 2.217 176.801 174.600 -0.026 0.000 1.021 79 S CA 1.936 60.112 58.200 -0.039 0.000 0.974 79 S CB -0.656 62.513 63.200 -0.051 0.000 0.800 79 S HN 0.248 nan 8.310 nan 0.000 0.484 80 T N 3.182 117.723 114.554 -0.023 0.000 2.821 80 T HA 0.108 4.438 4.350 -0.034 0.000 0.267 80 T C 1.723 176.430 174.700 0.011 0.000 1.046 80 T CA 0.982 63.073 62.100 -0.015 0.000 1.139 80 T CB -0.433 68.429 68.868 -0.009 0.000 0.871 80 T HN 0.259 nan 8.240 nan 0.000 0.454 81 L N 1.741 122.978 121.223 0.023 0.000 2.017 81 L HA -0.065 4.255 4.340 -0.034 0.000 0.208 81 L C 2.385 179.300 176.870 0.075 0.000 1.073 81 L CA 1.828 56.704 54.840 0.061 0.000 0.745 81 L CB -1.120 40.968 42.059 0.049 0.000 0.894 81 L HN 0.144 nan 8.230 nan 0.000 0.432 82 V N 0.734 120.675 119.914 0.044 0.000 2.343 82 V HA -0.238 3.862 4.120 -0.034 0.000 0.247 82 V C 3.028 179.148 176.094 0.045 0.000 1.051 82 V CA 1.504 63.835 62.300 0.051 0.000 1.036 82 V CB -1.190 30.647 31.823 0.023 0.000 0.654 82 V HN 0.591 nan 8.190 nan 0.000 0.451 83 A N 0.822 123.651 122.820 0.015 0.000 1.902 83 A HA -0.218 4.082 4.320 -0.034 0.000 0.217 83 A C 2.578 180.152 177.584 -0.016 0.000 1.181 83 A CA 2.327 54.357 52.037 -0.011 0.000 0.623 83 A CB -0.809 18.163 19.000 -0.048 0.000 0.818 83 A HN 0.686 nan 8.150 nan 0.000 0.443 84 S N -0.387 115.314 115.700 0.003 0.000 2.382 84 S HA -0.125 4.325 4.470 -0.034 0.000 0.228 84 S C 1.771 176.392 174.600 0.036 0.000 1.027 84 S CA 1.497 59.695 58.200 -0.003 0.000 0.991 84 S CB -0.929 62.319 63.200 0.080 0.000 0.823 84 S HN 0.246 nan 8.310 nan 0.000 0.469 85 V N 2.164 122.146 119.914 0.113 0.000 2.307 85 V HA -0.085 4.014 4.120 -0.034 0.000 0.245 85 V C 2.621 178.749 176.094 0.057 0.000 1.045 85 V CA 1.813 64.187 62.300 0.123 0.000 1.024 85 V CB -0.835 31.065 31.823 0.129 0.000 0.651 85 V HN 0.460 nan 8.190 nan 0.000 0.449 86 L N 0.009 121.274 121.223 0.069 0.000 2.046 86 L HA -0.145 4.175 4.340 -0.034 0.000 0.208 86 L C 2.739 179.670 176.870 0.102 0.000 1.077 86 L CA 1.569 56.484 54.840 0.124 0.000 0.747 86 L CB -0.815 41.322 42.059 0.130 0.000 0.896 86 L HN 0.361 nan 8.230 nan 0.000 0.432 87 A N 0.056 122.887 122.820 0.017 0.000 1.902 87 A HA -0.204 4.096 4.320 -0.034 0.000 0.217 87 A C 2.112 179.666 177.584 -0.051 0.000 1.181 87 A CA 1.833 53.861 52.037 -0.014 0.000 0.623 87 A CB -0.547 18.408 19.000 -0.076 0.000 0.818 87 A HN 0.444 nan 8.150 nan 0.000 0.443 88 N N -0.521 118.094 118.700 -0.141 0.000 2.171 88 N HA -0.124 4.596 4.740 -0.034 0.000 0.184 88 N C 1.821 177.268 175.510 -0.105 0.000 1.021 88 N CA 1.390 54.318 53.050 -0.204 0.000 0.854 88 N CB -0.243 37.949 38.487 -0.491 0.000 0.994 88 N HN 0.618 nan 8.380 nan 0.000 0.426 89 K N 0.530 120.864 120.400 -0.111 0.000 2.063 89 K HA -0.128 4.172 4.320 -0.034 0.000 0.208 89 K C 0.820 177.221 176.600 -0.332 0.000 1.048 89 K CA 1.255 57.401 56.287 -0.234 0.000 0.928 89 K CB 0.027 32.320 32.500 -0.345 0.000 0.713 89 K HN 0.313 nan 8.250 nan 0.000 0.442 90 H N 0.280 119.343 119.070 -0.010 0.000 2.520 90 H HA 0.158 4.694 4.556 -0.034 0.000 0.284 90 H C -0.459 174.860 175.328 -0.015 0.000 1.037 90 H CA 0.063 56.105 56.048 -0.011 0.000 1.168 90 H CB -0.181 29.575 29.762 -0.010 0.000 1.497 90 H HN 0.346 nan 8.280 nan 0.000 0.547 91 N N 0.693 119.417 118.700 0.042 0.000 2.705 91 N HA -0.160 4.560 4.740 -0.034 0.000 0.255 91 N C -0.672 174.864 175.510 0.042 0.000 1.008 91 N CA -0.072 52.989 53.050 0.018 0.000 0.742 91 N CB -0.815 37.678 38.487 0.010 0.000 0.906 91 N HN -0.012 nan 8.380 nan 0.000 0.541 92 V N 1.369 121.322 119.914 0.064 0.000 2.287 92 V HA 0.021 4.121 4.120 -0.034 0.000 0.246 92 V C 0.946 177.130 176.094 0.150 0.000 1.165 92 V CA -0.063 62.288 62.300 0.085 0.000 1.088 92 V CB -0.043 31.824 31.823 0.074 0.000 1.242 92 V HN 0.280 nan 8.190 nan 0.000 0.497 93 E N 4.896 125.145 120.200 0.081 0.000 2.390 93 E HA 0.516 4.846 4.350 -0.034 0.000 0.261 93 E C -0.612 176.061 176.600 0.122 0.000 1.076 93 E CA -0.482 55.932 56.400 0.022 0.000 0.905 93 E CB 0.893 30.547 29.700 -0.077 0.000 0.984 93 E HN 0.545 nan 8.360 nan 0.000 0.427 94 F N -1.808 118.114 119.950 -0.047 0.000 2.613 94 F HA 0.405 4.912 4.527 -0.033 0.000 0.310 94 F C -0.616 175.169 175.800 -0.025 0.000 1.085 94 F CA -1.542 56.435 58.000 -0.037 0.000 0.945 94 F CB 1.277 40.251 39.000 -0.043 0.000 1.298 94 F HN 0.173 nan 8.300 nan 0.000 0.455 95 Q N 1.807 121.679 119.800 0.120 0.000 2.293 95 Q HA 0.543 4.863 4.340 -0.034 0.000 0.251 95 Q C -0.205 175.871 176.000 0.126 0.000 0.930 95 Q CA -0.016 55.817 55.803 0.050 0.000 0.893 95 Q CB 1.971 30.747 28.738 0.063 0.000 1.215 95 Q HN 0.995 nan 8.270 nan 0.000 0.425 96 T N -2.861 111.725 114.554 0.052 0.000 2.816 96 T HA 0.337 4.667 4.350 -0.034 0.000 0.299 96 T C 0.533 175.257 174.700 0.040 0.000 1.230 96 T CA -0.892 61.258 62.100 0.084 0.000 1.007 96 T CB 1.012 69.927 68.868 0.079 0.000 1.289 96 T HN 0.613 nan 8.240 nan 0.000 0.508 97 K N -0.220 120.207 120.400 0.045 0.000 2.504 97 K HA 0.069 4.369 4.320 -0.034 0.000 0.195 97 K C 0.640 177.247 176.600 0.012 0.000 1.036 97 K CA 1.050 57.353 56.287 0.026 0.000 0.984 97 K CB -0.117 32.399 32.500 0.028 0.000 0.788 97 K HN 0.531 nan 8.250 nan 0.000 0.488 98 E N 0.767 120.970 120.200 0.006 0.000 2.465 98 E HA 0.209 4.539 4.350 -0.034 0.000 0.195 98 E C 0.193 176.774 176.600 -0.031 0.000 1.028 98 E CA 0.359 56.754 56.400 -0.008 0.000 0.899 98 E CB 1.195 30.893 29.700 -0.004 0.000 1.032 98 E HN 0.534 nan 8.360 nan 0.000 0.468 99 G N -0.571 108.207 108.800 -0.037 0.000 2.566 99 G HA2 -0.207 3.732 3.960 -0.034 0.000 0.599 99 G HA3 -0.207 3.732 3.960 -0.034 0.000 0.599 99 G C -0.608 174.224 174.900 -0.113 0.000 1.292 99 G CA -0.707 44.358 45.100 -0.060 0.000 0.922 99 G HN 0.043 nan 8.290 nan 0.000 0.514 100 V N 1.303 121.139 119.914 -0.131 0.000 2.521 100 V HA 0.404 4.504 4.120 -0.034 0.000 0.286 100 V C 0.770 176.678 176.094 -0.310 0.000 1.034 100 V CA 0.460 62.635 62.300 -0.208 0.000 1.045 100 V CB 0.932 32.667 31.823 -0.146 0.000 0.974 100 V HN 0.678 nan 8.190 nan 0.000 0.480 101 K N 3.796 123.845 120.400 -0.584 0.000 2.259 101 K HA 0.538 4.838 4.320 -0.034 0.000 0.249 101 K C -0.858 175.340 176.600 -0.670 0.000 0.942 101 K CA -0.956 54.939 56.287 -0.654 0.000 0.816 101 K CB 1.813 33.822 32.500 -0.818 0.000 1.155 101 K HN 0.495 nan 8.250 nan 0.000 0.428 102 Q N 2.553 122.129 119.800 -0.373 0.000 2.241 102 Q HA 0.323 4.643 4.340 -0.034 0.000 0.254 102 Q C -2.205 173.700 176.000 -0.159 0.000 0.917 102 Q CA -2.094 53.574 55.803 -0.224 0.000 0.919 102 Q CB 1.004 29.648 28.738 -0.157 0.000 1.237 102 Q HN 0.447 nan 8.270 nan 0.000 0.434 103 P HA 0.092 nan 4.420 nan 0.000 0.272 103 P C -0.740 176.418 177.300 -0.237 0.000 1.223 103 P CA -0.114 62.958 63.100 -0.048 0.000 0.784 103 P CB 0.755 32.431 31.700 -0.039 0.000 0.923 104 N N -0.304 118.187 118.700 -0.349 0.000 3.106 104 N HA 0.205 4.925 4.740 -0.034 0.000 0.253 104 N C -1.366 173.905 175.510 -0.399 0.000 1.506 104 N CA -0.787 52.026 53.050 -0.394 0.000 0.876 104 N CB 0.180 38.329 38.487 -0.563 0.000 1.452 104 N HN 0.276 nan 8.380 nan 0.000 0.542 105 Y N -0.607 119.717 120.300 0.039 0.000 2.751 105 Y HA 0.442 4.972 4.550 -0.034 0.000 0.289 105 Y C -0.297 175.749 175.900 0.243 0.000 1.110 105 Y CA -0.895 57.263 58.100 0.096 0.000 1.251 105 Y CB 0.107 38.599 38.460 0.054 0.000 1.178 105 Y HN 0.267 nan 8.280 nan 0.000 0.540 106 F N 1.192 121.212 119.950 0.117 0.000 2.629 106 F HA 0.228 4.734 4.527 -0.034 0.000 0.369 106 F C 1.505 177.364 175.800 0.098 0.000 1.125 106 F CA 0.962 59.015 58.000 0.088 0.000 1.330 106 F CB 0.138 39.173 39.000 0.058 0.000 1.071 106 F HN 0.425 nan 8.300 nan 0.000 0.595 107 G N 1.450 110.386 108.800 0.228 0.000 2.213 107 G HA2 -0.236 3.704 3.960 -0.034 0.000 0.236 107 G HA3 -0.236 3.704 3.960 -0.034 0.000 0.236 107 G C 0.306 175.309 174.900 0.171 0.000 0.991 107 G CA 0.162 45.364 45.100 0.170 0.000 0.629 107 G HN 0.889 nan 8.290 nan 0.000 0.517 108 S N 0.565 116.368 115.700 0.172 0.000 2.438 108 S HA 0.621 5.071 4.470 -0.034 0.000 0.293 108 S C 1.498 176.137 174.600 0.065 0.000 1.141 108 S CA 0.226 58.504 58.200 0.130 0.000 1.080 108 S CB 0.848 64.102 63.200 0.091 0.000 0.978 108 S HN 0.314 nan 8.310 nan 0.000 0.479 109 M N 4.482 124.122 119.600 0.068 0.000 2.254 109 M HA -0.051 4.409 4.480 -0.034 0.000 0.265 109 M C 1.932 178.016 176.300 -0.360 0.000 1.066 109 M CA 2.159 57.373 55.300 -0.144 0.000 1.123 109 M CB -1.290 31.161 32.600 -0.247 0.000 1.388 109 M HN 0.908 nan 8.290 nan 0.000 0.425 110 T N -1.876 112.519 114.554 -0.265 0.000 2.985 110 T HA -0.056 4.274 4.350 -0.034 0.000 0.266 110 T C 1.593 176.278 174.700 -0.025 0.000 1.076 110 T CA 0.696 62.654 62.100 -0.237 0.000 1.135 110 T CB -0.086 68.731 68.868 -0.086 0.000 0.890 110 T HN 0.343 nan 8.240 nan 0.000 0.480 111 Q N -0.240 119.537 119.800 -0.038 0.000 2.373 111 Q HA 0.271 4.591 4.340 -0.034 0.000 0.210 111 Q C 1.739 177.785 176.000 0.077 0.000 0.913 111 Q CA 0.547 56.357 55.803 0.012 0.000 0.911 111 Q CB -0.000 28.719 28.738 -0.030 0.000 1.040 111 Q HN 0.607 nan 8.270 nan 0.000 0.521 112 C N 1.050 120.386 119.300 0.060 0.000 3.255 112 C HA 0.332 4.772 4.460 -0.034 0.000 0.282 112 C C 1.051 176.035 174.990 -0.009 0.000 1.441 112 C CA -0.547 58.503 59.018 0.053 0.000 1.785 112 C CB -0.304 27.486 27.740 0.082 0.000 2.583 112 C HN 0.328 nan 8.230 nan 0.000 0.615 113 S N 0.735 116.429 115.700 -0.010 0.000 2.664 113 S HA 0.811 5.261 4.470 -0.034 0.000 0.304 113 S C -0.283 174.367 174.600 0.083 0.000 1.099 113 S CA -0.119 58.075 58.200 -0.011 0.000 1.003 113 S CB 1.599 64.753 63.200 -0.077 0.000 1.092 113 S HN 0.452 nan 8.310 nan 0.000 0.525 114 T N -0.564 114.050 114.554 0.100 0.000 2.930 114 T HA 0.759 5.089 4.350 -0.034 0.000 0.290 114 T C -0.675 174.191 174.700 0.276 0.000 1.052 114 T CA -0.951 61.259 62.100 0.184 0.000 1.017 114 T CB 0.791 69.759 68.868 0.167 0.000 1.137 114 T HN 0.651 nan 8.240 nan 0.000 0.511 115 L N 0.708 122.079 121.223 0.247 0.000 2.401 115 L HA 0.560 4.880 4.340 -0.034 0.000 0.266 115 L C -0.158 176.641 176.870 -0.119 0.000 0.991 115 L CA -1.218 53.692 54.840 0.116 0.000 0.818 115 L CB 2.474 44.521 42.059 -0.020 0.000 1.321 115 L HN 0.743 nan 8.230 nan 0.000 0.413 116 K N 2.296 122.434 120.400 -0.437 0.000 2.339 116 K HA 0.285 4.585 4.320 -0.034 0.000 0.286 116 K C 0.313 176.692 176.600 -0.369 0.000 1.050 116 K CA -0.225 55.584 56.287 -0.796 0.000 0.956 116 K CB 0.816 32.821 32.500 -0.826 0.000 0.990 116 K HN 0.645 nan 8.250 nan 0.000 0.475 117 L N 3.032 124.078 121.223 -0.295 0.000 2.354 117 L HA 0.246 4.566 4.340 -0.034 0.000 0.212 117 L C 1.126 177.908 176.870 -0.148 0.000 1.091 117 L CA 0.487 55.221 54.840 -0.176 0.000 0.828 117 L CB 0.301 42.285 42.059 -0.124 0.000 0.973 117 L HN 1.024 nan 8.230 nan 0.000 0.461 118 G N 0.144 108.843 108.800 -0.168 0.000 2.404 118 G HA2 0.219 4.159 3.960 -0.034 0.000 0.253 118 G HA3 0.219 4.159 3.960 -0.034 0.000 0.253 118 G C -1.631 173.207 174.900 -0.103 0.000 1.253 118 G CA -0.351 44.678 45.100 -0.117 0.000 0.917 118 G HN 0.002 nan 8.290 nan 0.000 0.480 119 I N -1.010 119.524 120.570 -0.060 0.000 2.910 119 I HA 0.806 4.956 4.170 -0.034 0.000 0.310 119 I C -0.410 175.695 176.117 -0.019 0.000 1.043 119 I CA -1.086 60.193 61.300 -0.035 0.000 1.053 119 I CB 2.176 40.164 38.000 -0.020 0.000 1.242 119 I HN 0.645 nan 8.210 nan 0.000 0.452 120 D N 2.879 123.276 120.400 -0.006 0.000 2.511 120 D HA 0.392 5.012 4.640 -0.034 0.000 0.276 120 D C 1.073 177.375 176.300 0.003 0.000 1.220 120 D CA -0.321 53.680 54.000 0.000 0.000 1.077 120 D CB 0.720 41.525 40.800 0.008 0.000 1.126 120 D HN 0.669 nan 8.370 nan 0.000 0.583 121 A N -0.678 122.145 122.820 0.005 0.000 2.070 121 A HA -0.154 4.146 4.320 -0.034 0.000 0.220 121 A C 1.561 179.151 177.584 0.009 0.000 1.159 121 A CA 1.133 53.174 52.037 0.007 0.000 0.656 121 A CB -0.626 18.378 19.000 0.006 0.000 0.800 121 A HN 0.537 nan 8.150 nan 0.000 0.453 122 E N -1.230 118.976 120.200 0.010 0.000 2.478 122 E HA 0.191 4.521 4.350 -0.034 0.000 0.194 122 E C 1.227 177.836 176.600 0.015 0.000 1.045 122 E CA 0.713 57.120 56.400 0.013 0.000 0.868 122 E CB -0.455 29.253 29.700 0.013 0.000 0.885 122 E HN 0.900 nan 8.360 nan 0.000 0.505 123 G N 1.571 110.379 108.800 0.013 0.000 2.141 123 G HA2 -0.203 3.737 3.960 -0.034 0.000 0.231 123 G HA3 -0.203 3.737 3.960 -0.034 0.000 0.231 123 G C -0.088 174.822 174.900 0.015 0.000 0.984 123 G CA -0.121 44.987 45.100 0.015 0.000 0.660 123 G HN 0.176 nan 8.290 nan 0.000 0.525 124 N N 1.166 119.877 118.700 0.017 0.000 2.417 124 N HA 0.413 5.133 4.740 -0.034 0.000 0.300 124 N C -0.500 175.026 175.510 0.027 0.000 1.102 124 N CA -0.650 52.416 53.050 0.027 0.000 0.886 124 N CB 1.006 39.513 38.487 0.034 0.000 1.203 124 N HN 0.126 nan 8.380 nan 0.000 0.496 125 D N 0.434 120.862 120.400 0.046 0.000 2.506 125 D HA 0.036 4.655 4.640 -0.034 0.000 0.234 125 D C -0.142 176.197 176.300 0.064 0.000 1.143 125 D CA 0.465 54.483 54.000 0.029 0.000 0.871 125 D CB 0.830 41.703 40.800 0.122 0.000 1.190 125 D HN 0.024 nan 8.370 nan 0.000 0.459 126 V N 2.967 122.853 119.914 -0.046 0.000 2.407 126 V HA 0.218 4.318 4.120 -0.034 0.000 0.291 126 V C -0.755 175.289 176.094 -0.083 0.000 1.018 126 V CA -0.767 61.538 62.300 0.008 0.000 0.842 126 V CB 0.676 32.486 31.823 -0.021 0.000 0.996 126 V HN 0.354 nan 8.190 nan 0.000 0.426 127 Y N 2.513 122.803 120.300 -0.015 0.000 2.457 127 Y HA 0.828 5.358 4.550 -0.034 0.000 0.333 127 Y C 0.453 176.344 175.900 -0.016 0.000 1.119 127 Y CA -0.464 57.626 58.100 -0.017 0.000 1.143 127 Y CB 2.104 40.556 38.460 -0.013 0.000 1.230 127 Y HN 0.725 nan 8.280 nan 0.000 0.469 128 A N 2.888 125.781 122.820 0.122 0.000 2.515 128 A HA 0.777 5.077 4.320 -0.034 0.000 0.296 128 A C -3.036 174.593 177.584 0.074 0.000 1.094 128 A CA -2.253 49.822 52.037 0.064 0.000 0.718 128 A CB 1.343 20.343 19.000 0.000 0.000 1.307 128 A HN 0.464 nan 8.150 nan 0.000 0.408 129 P HA 0.086 nan 4.420 nan 0.000 0.266 129 P C 0.467 177.814 177.300 0.079 0.000 1.195 129 P CA 0.095 63.243 63.100 0.081 0.000 0.768 129 P CB 0.205 31.941 31.700 0.061 0.000 0.838 130 F N 3.891 123.821 119.950 -0.034 0.000 2.154 130 F HA -0.251 4.256 4.527 -0.033 0.000 0.301 130 F C 1.554 177.291 175.800 -0.106 0.000 1.087 130 F CA 1.835 59.792 58.000 -0.072 0.000 1.274 130 F CB -0.111 38.847 39.000 -0.069 0.000 1.009 130 F HN 0.312 nan 8.300 nan 0.000 0.485 131 N N -0.264 118.520 118.700 0.140 0.000 2.313 131 N HA -0.020 4.700 4.740 -0.034 0.000 0.207 131 N C 0.767 176.249 175.510 -0.047 0.000 1.141 131 N CA 0.743 53.805 53.050 0.021 0.000 0.830 131 N CB -0.675 37.858 38.487 0.077 0.000 1.008 131 N HN 0.324 nan 8.380 nan 0.000 0.481 132 S N -1.175 114.484 115.700 -0.068 0.000 2.523 132 S HA 0.181 4.631 4.470 -0.034 0.000 0.217 132 S C 1.396 175.946 174.600 -0.084 0.000 0.996 132 S CA -0.374 57.794 58.200 -0.053 0.000 0.921 132 S CB -0.142 63.044 63.200 -0.024 0.000 0.829 132 S HN 0.062 nan 8.310 nan 0.000 0.495 133 L N 1.135 122.265 121.223 -0.155 0.000 2.072 133 L HA 0.398 4.718 4.340 -0.034 0.000 0.205 133 L C 0.630 177.433 176.870 -0.112 0.000 1.079 133 L CA 1.386 56.130 54.840 -0.160 0.000 0.752 133 L CB -0.458 41.446 42.059 -0.259 0.000 0.906 133 L HN 0.382 nan 8.230 nan 0.000 0.436 134 L N -0.800 120.349 121.223 -0.123 0.000 2.424 134 L HA 0.402 4.722 4.340 -0.034 0.000 0.258 134 L C -2.409 174.488 176.870 0.045 0.000 0.995 134 L CA -1.932 52.910 54.840 0.003 0.000 0.821 134 L CB 2.164 44.278 42.059 0.092 0.000 1.383 134 L HN -0.204 nan 8.230 nan 0.000 0.410 135 P HA 0.129 nan 4.420 nan 0.000 0.263 135 P C -1.225 176.197 177.300 0.203 0.000 1.195 135 P CA 0.280 63.456 63.100 0.126 0.000 0.762 135 P CB 0.666 32.435 31.700 0.116 0.000 0.799 136 M N 2.091 121.768 119.600 0.127 0.000 2.572 136 M HA 0.307 4.767 4.480 -0.034 0.000 0.299 136 M C -0.282 176.085 176.300 0.113 0.000 1.205 136 M CA -1.330 54.064 55.300 0.157 0.000 0.876 136 M CB 2.649 35.285 32.600 0.061 0.000 1.728 136 M HN -0.031 nan 8.290 nan 0.000 0.458 137 V N 1.255 121.255 119.914 0.143 0.000 2.715 137 V HA 0.151 4.251 4.120 -0.034 0.000 0.299 137 V C 0.355 176.474 176.094 0.042 0.000 1.054 137 V CA -0.135 62.239 62.300 0.123 0.000 1.077 137 V CB 1.320 33.269 31.823 0.210 0.000 0.972 137 V HN 0.901 nan 8.190 nan 0.000 0.484 138 S N 5.808 121.482 115.700 -0.044 0.000 2.554 138 S HA 0.384 4.834 4.470 -0.034 0.000 0.278 138 S C -1.095 173.200 174.600 -0.509 0.000 1.242 138 S CA -1.446 56.631 58.200 -0.205 0.000 1.051 138 S CB 1.452 64.571 63.200 -0.136 0.000 0.986 138 S HN 0.659 nan 8.310 nan 0.000 0.502 139 P HA -0.088 nan 4.420 nan 0.000 0.222 139 P C 0.552 177.341 177.300 -0.851 0.000 1.147 139 P CA 1.116 63.209 63.100 -1.679 0.000 0.790 139 P CB -0.266 30.661 31.700 -1.289 0.000 0.780 140 N N -0.033 118.443 118.700 -0.374 0.000 2.443 140 N HA -0.095 4.625 4.740 -0.034 0.000 0.184 140 N C 0.714 176.157 175.510 -0.110 0.000 1.037 140 N CA 0.574 53.539 53.050 -0.143 0.000 0.896 140 N CB -0.226 38.220 38.487 -0.069 0.000 0.959 140 N HN 0.158 nan 8.380 nan 0.000 0.442 141 D N -0.239 120.093 120.400 -0.113 0.000 2.388 141 D HA 0.070 4.690 4.640 -0.034 0.000 0.221 141 D C -0.333 176.096 176.300 0.216 0.000 1.133 141 D CA -0.015 54.006 54.000 0.035 0.000 0.831 141 D CB 0.095 40.921 40.800 0.043 0.000 0.962 141 D HN 0.211 nan 8.370 nan 0.000 0.502 142 F N 0.998 120.957 119.950 0.016 0.000 2.412 142 F HA 0.199 4.705 4.527 -0.034 0.000 0.348 142 F C 0.701 176.533 175.800 0.053 0.000 1.102 142 F CA -0.593 57.426 58.000 0.032 0.000 1.196 142 F CB 1.438 40.452 39.000 0.023 0.000 1.144 142 F HN -0.356 nan 8.300 nan 0.000 0.541 143 V N 5.024 125.091 119.914 0.256 0.000 2.350 143 V HA 0.270 4.370 4.120 -0.034 0.000 0.285 143 V C -0.288 175.973 176.094 0.280 0.000 1.014 143 V CA -0.624 61.806 62.300 0.216 0.000 0.831 143 V CB 1.468 33.374 31.823 0.139 0.000 1.000 143 V HN 0.423 nan 8.190 nan 0.000 0.433 144 V N 4.036 124.063 119.914 0.188 0.000 2.435 144 V HA 0.758 4.857 4.120 -0.034 0.000 0.290 144 V C 0.184 176.229 176.094 -0.083 0.000 1.030 144 V CA -0.023 62.306 62.300 0.047 0.000 0.881 144 V CB 1.644 33.481 31.823 0.023 0.000 0.983 144 V HN 0.874 nan 8.190 nan 0.000 0.445 145 S N 2.102 117.566 115.700 -0.394 0.000 2.998 145 S HA 1.012 5.462 4.470 -0.034 0.000 0.321 145 S C -0.215 174.009 174.600 -0.627 0.000 1.171 145 S CA 0.242 58.107 58.200 -0.559 0.000 0.882 145 S CB 1.815 64.445 63.200 -0.949 0.000 1.301 145 S HN 1.722 nan 8.310 nan 0.000 0.629 146 G N -0.416 107.907 108.800 -0.795 0.000 2.356 146 G HA2 0.237 4.177 3.960 -0.034 0.000 0.288 146 G HA3 0.237 4.177 3.960 -0.034 0.000 0.288 146 G C -2.170 172.299 174.900 -0.719 0.000 1.302 146 G CA -0.636 43.980 45.100 -0.807 0.000 0.887 146 G HN 0.577 nan 8.290 nan 0.000 0.521 147 W N -0.029 121.166 121.300 -0.176 0.000 2.882 147 W HA 0.731 5.371 4.660 -0.033 0.000 0.345 147 W C -1.021 175.385 176.519 -0.189 0.000 1.125 147 W CA -0.369 56.900 57.345 -0.127 0.000 1.167 147 W CB 2.463 31.902 29.460 -0.034 0.000 1.431 147 W HN 0.618 nan 8.180 nan 0.000 0.543 148 D N 1.051 121.511 120.400 0.100 0.000 2.836 148 D HA 0.136 4.755 4.640 -0.034 0.000 0.215 148 D C 0.534 176.825 176.300 -0.014 0.000 1.255 148 D CA -0.406 53.579 54.000 -0.025 0.000 0.822 148 D CB 2.160 42.921 40.800 -0.066 0.000 1.656 148 D HN 0.405 nan 8.370 nan 0.000 0.511 149 I N 0.173 120.704 120.570 -0.064 0.000 3.176 149 I HA 0.108 4.258 4.170 -0.034 0.000 0.275 149 I C 0.525 176.584 176.117 -0.097 0.000 1.298 149 I CA 0.361 61.609 61.300 -0.086 0.000 1.445 149 I CB -0.099 37.788 38.000 -0.190 0.000 1.075 149 I HN 0.036 nan 8.210 nan 0.000 0.482 150 N N 2.805 121.457 118.700 -0.079 0.000 2.342 150 N HA 0.089 4.809 4.740 -0.034 0.000 0.293 150 N C -0.049 175.436 175.510 -0.043 0.000 1.026 150 N CA -0.385 52.625 53.050 -0.066 0.000 0.857 150 N CB 1.257 39.702 38.487 -0.071 0.000 1.256 150 N HN 0.243 nan 8.380 nan 0.000 0.484 151 N N 2.294 120.976 118.700 -0.030 0.000 2.370 151 N HA 0.056 4.776 4.740 -0.034 0.000 0.198 151 N C 0.109 175.607 175.510 -0.021 0.000 1.156 151 N CA -0.388 52.650 53.050 -0.021 0.000 0.839 151 N CB 0.075 38.556 38.487 -0.009 0.000 0.989 151 N HN 0.441 nan 8.380 nan 0.000 0.468 152 A N 0.842 123.646 122.820 -0.027 0.000 2.498 152 A HA 0.231 4.530 4.320 -0.034 0.000 0.239 152 A C 0.172 177.744 177.584 -0.020 0.000 1.068 152 A CA -0.318 51.705 52.037 -0.023 0.000 0.766 152 A CB -0.190 18.788 19.000 -0.036 0.000 1.003 152 A HN 0.633 nan 8.150 nan 0.000 0.497 153 D N 1.090 121.489 120.400 -0.001 0.000 2.371 153 D HA 0.182 4.802 4.640 -0.034 0.000 0.242 153 D C 0.843 177.147 176.300 0.007 0.000 1.218 153 D CA -0.547 53.458 54.000 0.009 0.000 0.945 153 D CB 0.289 41.111 40.800 0.036 0.000 1.137 153 D HN 0.304 nan 8.370 nan 0.000 0.464 154 L N -0.672 120.559 121.223 0.012 0.000 2.275 154 L HA -0.130 4.190 4.340 -0.034 0.000 0.215 154 L C 1.894 178.780 176.870 0.027 0.000 1.119 154 L CA 0.807 55.649 54.840 0.003 0.000 0.790 154 L CB -0.602 41.457 42.059 -0.001 0.000 0.919 154 L HN 0.525 nan 8.230 nan 0.000 0.443 155 Y N 1.394 121.669 120.300 -0.042 0.000 2.184 155 Y HA -0.195 4.336 4.550 -0.032 0.000 0.290 155 Y C 2.372 178.250 175.900 -0.038 0.000 1.129 155 Y CA 1.443 59.515 58.100 -0.046 0.000 1.144 155 Y CB -0.143 38.289 38.460 -0.046 0.000 0.995 155 Y HN 0.172 nan 8.280 nan 0.000 0.513 156 E N 0.200 120.302 120.200 -0.165 0.000 2.153 156 E HA -0.166 4.164 4.350 -0.034 0.000 0.194 156 E C 2.328 178.809 176.600 -0.199 0.000 0.988 156 E CA 0.903 57.165 56.400 -0.229 0.000 0.811 156 E CB -0.277 29.386 29.700 -0.062 0.000 0.746 156 E HN 0.578 nan 8.360 nan 0.000 0.466 157 A N 1.211 123.952 122.820 -0.132 0.000 1.898 157 A HA -0.165 4.135 4.320 -0.034 0.000 0.216 157 A C 2.168 179.675 177.584 -0.127 0.000 1.181 157 A CA 1.154 53.128 52.037 -0.106 0.000 0.620 157 A CB -0.385 18.571 19.000 -0.074 0.000 0.819 157 A HN 0.129 nan 8.150 nan 0.000 0.442 158 M N -0.963 118.542 119.600 -0.157 0.000 2.086 158 M HA -0.245 4.215 4.480 -0.034 0.000 0.261 158 M C 2.510 178.699 176.300 -0.184 0.000 1.067 158 M CA 1.770 56.977 55.300 -0.154 0.000 1.116 158 M CB -0.463 32.046 32.600 -0.150 0.000 1.348 158 M HN 0.521 nan 8.290 nan 0.000 0.407 159 Q N -0.542 119.077 119.800 -0.301 0.000 2.096 159 Q HA -0.238 4.081 4.340 -0.034 0.000 0.204 159 Q C 2.087 178.005 176.000 -0.136 0.000 0.982 159 Q CA 1.659 57.314 55.803 -0.246 0.000 0.850 159 Q CB -0.276 28.253 28.738 -0.349 0.000 0.901 159 Q HN 0.450 nan 8.270 nan 0.000 0.422 160 R N 0.108 120.529 120.500 -0.132 0.000 2.081 160 R HA -0.108 4.212 4.340 -0.034 0.000 0.235 160 R C 2.146 178.409 176.300 -0.061 0.000 1.131 160 R CA 1.694 57.743 56.100 -0.084 0.000 0.960 160 R CB -0.027 30.226 30.300 -0.079 0.000 0.856 160 R HN 0.063 nan 8.270 nan 0.000 0.436 161 S N 0.685 116.346 115.700 -0.064 0.000 2.428 161 S HA -0.086 4.364 4.470 -0.034 0.000 0.230 161 S C 0.189 174.771 174.600 -0.031 0.000 1.014 161 S CA 0.917 59.092 58.200 -0.042 0.000 0.957 161 S CB 0.018 63.191 63.200 -0.045 0.000 0.784 161 S HN 0.429 nan 8.310 nan 0.000 0.499 162 Q N -0.621 119.157 119.800 -0.038 0.000 2.457 162 Q HA -0.167 4.153 4.340 -0.034 0.000 0.283 162 Q C 0.513 176.505 176.000 -0.013 0.000 1.234 162 Q CA 0.357 56.148 55.803 -0.020 0.000 0.877 162 Q CB -2.046 26.684 28.738 -0.013 0.000 1.250 162 Q HN 0.392 nan 8.270 nan 0.000 0.481 163 V N -0.864 119.035 119.914 -0.025 0.000 2.581 163 V HA 0.048 4.148 4.120 -0.034 0.000 0.240 163 V C 1.087 177.162 176.094 -0.032 0.000 1.054 163 V CA 1.078 63.366 62.300 -0.021 0.000 1.076 163 V CB 0.180 31.989 31.823 -0.024 0.000 0.748 163 V HN 0.294 nan 8.190 nan 0.000 0.474 164 L N 0.448 121.637 121.223 -0.058 0.000 2.357 164 L HA 0.367 4.687 4.340 -0.034 0.000 0.273 164 L C 0.376 177.202 176.870 -0.074 0.000 1.080 164 L CA -0.629 54.151 54.840 -0.100 0.000 0.803 164 L CB 0.517 42.481 42.059 -0.158 0.000 1.174 164 L HN 0.134 nan 8.230 nan 0.000 0.443 165 E N 0.862 121.002 120.200 -0.100 0.000 2.568 165 E HA -0.190 4.140 4.350 -0.034 0.000 0.262 165 E C 0.421 177.028 176.600 0.012 0.000 0.961 165 E CA 0.557 56.954 56.400 -0.004 0.000 0.945 165 E CB 0.393 30.110 29.700 0.030 0.000 0.924 165 E HN 0.448 nan 8.360 nan 0.000 0.467 166 Y N 3.854 124.150 120.300 -0.005 0.000 2.114 166 Y HA -0.321 4.209 4.550 -0.034 0.000 0.282 166 Y C 1.889 177.803 175.900 0.025 0.000 1.165 166 Y CA 2.647 60.751 58.100 0.008 0.000 1.148 166 Y CB -0.058 38.414 38.460 0.020 0.000 0.972 166 Y HN 0.655 nan 8.280 nan 0.000 0.504 167 D N -0.563 119.849 120.400 0.020 0.000 2.144 167 D HA -0.189 4.431 4.640 -0.034 0.000 0.199 167 D C 2.059 178.309 176.300 -0.083 0.000 0.984 167 D CA 1.149 55.129 54.000 -0.033 0.000 0.834 167 D CB -0.301 40.580 40.800 0.135 0.000 0.955 167 D HN 0.362 nan 8.370 nan 0.000 0.465 168 L N 0.536 121.690 121.223 -0.115 0.000 2.056 168 L HA -0.104 4.215 4.340 -0.034 0.000 0.207 168 L C 2.048 178.805 176.870 -0.190 0.000 1.078 168 L CA 1.677 56.376 54.840 -0.235 0.000 0.749 168 L CB -0.742 40.920 42.059 -0.663 0.000 0.901 168 L HN 0.104 nan 8.230 nan 0.000 0.433 169 Q N -1.015 118.669 119.800 -0.193 0.000 2.096 169 Q HA -0.244 4.076 4.340 -0.034 0.000 0.204 169 Q C 2.137 178.099 176.000 -0.064 0.000 0.982 169 Q CA 1.721 57.459 55.803 -0.108 0.000 0.850 169 Q CB -0.195 28.470 28.738 -0.122 0.000 0.901 169 Q HN 0.579 nan 8.270 nan 0.000 0.422 170 Q N 0.274 119.936 119.800 -0.230 0.000 2.119 170 Q HA -0.085 4.235 4.340 -0.034 0.000 0.201 170 Q C 1.887 177.797 176.000 -0.150 0.000 0.972 170 Q CA 1.200 56.873 55.803 -0.217 0.000 0.847 170 Q CB -0.147 28.395 28.738 -0.327 0.000 0.903 170 Q HN 0.371 nan 8.270 nan 0.000 0.433 171 R N -0.010 120.422 120.500 -0.113 0.000 2.189 171 R HA 0.064 4.384 4.340 -0.034 0.000 0.218 171 R C 1.881 178.134 176.300 -0.080 0.000 1.074 171 R CA 0.520 56.574 56.100 -0.076 0.000 0.991 171 R CB 0.043 30.326 30.300 -0.029 0.000 0.883 171 R HN 0.200 nan 8.270 nan 0.000 0.457 172 L N 0.221 121.399 121.223 -0.076 0.000 2.607 172 L HA 0.098 4.418 4.340 -0.034 0.000 0.228 172 L C 2.203 179.035 176.870 -0.064 0.000 1.123 172 L CA 0.066 54.873 54.840 -0.055 0.000 0.890 172 L CB -0.048 41.991 42.059 -0.033 0.000 1.103 172 L HN 0.062 nan 8.230 nan 0.000 0.468 173 K N 1.485 121.799 120.400 -0.142 0.000 2.020 173 K HA -0.252 4.047 4.320 -0.034 0.000 0.212 173 K C 2.146 178.570 176.600 -0.293 0.000 1.050 173 K CA 1.840 57.904 56.287 -0.371 0.000 0.929 173 K CB -0.075 32.006 32.500 -0.698 0.000 0.714 173 K HN 0.277 nan 8.250 nan 0.000 0.443 174 A N 1.277 123.967 122.820 -0.216 0.000 1.883 174 A HA -0.223 4.077 4.320 -0.034 0.000 0.217 174 A C 1.968 179.488 177.584 -0.108 0.000 1.186 174 A CA 2.059 54.001 52.037 -0.157 0.000 0.624 174 A CB -0.439 18.483 19.000 -0.131 0.000 0.822 174 A HN 0.386 nan 8.150 nan 0.000 0.444 175 K N -1.223 119.123 120.400 -0.091 0.000 2.103 175 K HA 0.034 4.334 4.320 -0.034 0.000 0.204 175 K C 2.031 178.619 176.600 -0.020 0.000 1.052 175 K CA 1.239 57.492 56.287 -0.056 0.000 0.945 175 K CB -0.195 32.270 32.500 -0.058 0.000 0.722 175 K HN 0.360 nan 8.250 nan 0.000 0.443 176 M N 0.652 120.250 119.600 -0.004 0.000 2.319 176 M HA -0.047 4.413 4.480 -0.034 0.000 0.265 176 M C 1.948 178.281 176.300 0.055 0.000 1.068 176 M CA 1.293 56.618 55.300 0.041 0.000 1.118 176 M CB -0.544 32.112 32.600 0.094 0.000 1.395 176 M HN -0.024 nan 8.290 nan 0.000 0.435 177 S N 1.055 116.771 115.700 0.028 0.000 2.442 177 S HA -0.001 4.449 4.470 -0.034 0.000 0.236 177 S C 1.916 176.522 174.600 0.009 0.000 1.007 177 S CA 0.790 59.008 58.200 0.030 0.000 0.965 177 S CB -0.273 62.898 63.200 -0.049 0.000 0.773 177 S HN 0.452 nan 8.310 nan 0.000 0.504 178 L N 1.039 122.259 121.223 -0.005 0.000 2.313 178 L HA 0.076 4.396 4.340 -0.034 0.000 0.214 178 L C 0.175 177.044 176.870 -0.002 0.000 1.119 178 L CA 0.276 55.112 54.840 -0.006 0.000 0.809 178 L CB -0.306 41.746 42.059 -0.010 0.000 0.933 178 L HN 0.095 nan 8.230 nan 0.000 0.449 179 V N 0.917 120.831 119.914 0.001 0.000 2.406 179 V HA 0.226 4.326 4.120 -0.034 0.000 0.272 179 V C -0.021 176.061 176.094 -0.020 0.000 1.043 179 V CA -0.464 61.829 62.300 -0.011 0.000 0.915 179 V CB 1.215 33.032 31.823 -0.010 0.000 0.988 179 V HN 0.130 nan 8.190 nan 0.000 0.466 180 K N 5.897 126.275 120.400 -0.037 0.000 2.443 180 K HA 0.591 4.891 4.320 -0.034 0.000 0.252 180 K C -2.872 173.684 176.600 -0.073 0.000 0.933 180 K CA -1.891 54.371 56.287 -0.041 0.000 0.792 180 K CB 2.400 34.885 32.500 -0.025 0.000 1.185 180 K HN 0.382 nan 8.250 nan 0.000 0.425 181 P HA 0.089 nan 4.420 nan 0.000 0.271 181 P C -0.759 176.493 177.300 -0.080 0.000 1.216 181 P CA -0.240 62.799 63.100 -0.102 0.000 0.776 181 P CB 0.523 32.181 31.700 -0.071 0.000 0.881 182 L N 4.848 125.990 121.223 -0.136 0.000 2.452 182 L HA 0.282 4.602 4.340 -0.034 0.000 0.267 182 L C -1.729 175.208 176.870 0.111 0.000 1.188 182 L CA -1.908 52.898 54.840 -0.056 0.000 0.821 182 L CB -0.061 41.876 42.059 -0.202 0.000 1.102 182 L HN 0.268 nan 8.230 nan 0.000 0.470 183 P HA 0.054 nan 4.420 nan 0.000 0.272 183 P C -0.690 176.760 177.300 0.251 0.000 1.223 183 P CA -0.132 63.054 63.100 0.143 0.000 0.784 183 P CB 1.630 33.387 31.700 0.094 0.000 0.923 184 S N 0.946 116.748 115.700 0.171 0.000 2.874 184 S HA 0.600 5.050 4.470 -0.034 0.000 0.318 184 S C -0.422 174.194 174.600 0.027 0.000 1.109 184 S CA -0.970 57.329 58.200 0.166 0.000 0.878 184 S CB 0.566 63.878 63.200 0.187 0.000 1.307 184 S HN 0.278 nan 8.310 nan 0.000 0.592 185 I N 2.723 123.279 120.570 -0.024 0.000 2.304 185 I HA 0.293 4.443 4.170 -0.034 0.000 0.291 185 I C -1.337 174.700 176.117 -0.133 0.000 1.018 185 I CA -0.422 60.737 61.300 -0.235 0.000 1.260 185 I CB 0.863 38.569 38.000 -0.491 0.000 1.390 185 I HN 0.519 nan 8.210 nan 0.000 0.475 186 Y N 8.252 128.434 120.300 -0.198 0.000 2.388 186 Y HA 0.385 4.913 4.550 -0.036 0.000 0.328 186 Y C -1.398 174.592 175.900 0.149 0.000 0.963 186 Y CA -1.290 56.785 58.100 -0.043 0.000 1.240 186 Y CB 0.492 38.967 38.460 0.025 0.000 1.118 186 Y HN 0.363 nan 8.280 nan 0.000 0.484 187 Y N 9.087 129.319 120.300 -0.113 0.000 2.593 187 Y HA 0.233 4.762 4.550 -0.035 0.000 0.331 187 Y C -1.537 174.261 175.900 -0.171 0.000 0.986 187 Y CA -2.522 55.518 58.100 -0.101 0.000 1.262 187 Y CB 1.028 39.569 38.460 0.134 0.000 1.098 187 Y HN 0.567 nan 8.280 nan 0.000 0.506 188 P HA -0.284 nan 4.420 nan 0.000 0.220 188 P C 0.948 178.239 177.300 -0.015 0.000 1.155 188 P CA 1.762 64.631 63.100 -0.385 0.000 0.880 188 P CB 0.314 31.824 31.700 -0.317 0.000 0.790 189 D N -2.834 117.561 120.400 -0.008 0.000 2.371 189 D HA -0.085 4.535 4.640 -0.034 0.000 0.221 189 D C 1.063 177.249 176.300 -0.190 0.000 0.986 189 D CA 0.532 54.459 54.000 -0.121 0.000 0.899 189 D CB -0.455 40.194 40.800 -0.253 0.000 0.902 189 D HN 0.124 nan 8.370 nan 0.000 0.530 190 F N 0.179 120.177 119.950 0.080 0.000 2.698 190 F HA 0.238 4.746 4.527 -0.031 0.000 0.295 190 F C 1.131 177.005 175.800 0.123 0.000 1.124 190 F CA 0.060 58.125 58.000 0.109 0.000 1.426 190 F CB 0.060 39.147 39.000 0.143 0.000 1.120 190 F HN -0.037 nan 8.300 nan 0.000 0.583 191 I N -3.285 117.452 120.570 0.280 0.000 3.206 191 I HA 0.810 4.960 4.170 -0.034 0.000 0.313 191 I C -0.020 176.177 176.117 0.134 0.000 1.103 191 I CA -1.913 59.518 61.300 0.219 0.000 0.985 191 I CB 1.123 39.281 38.000 0.263 0.000 1.240 191 I HN -0.264 nan 8.210 nan 0.000 0.464 192 A N 1.426 124.289 122.820 0.072 0.000 2.565 192 A HA 0.419 4.719 4.320 -0.034 0.000 0.237 192 A C 1.333 178.921 177.584 0.007 0.000 1.053 192 A CA 0.462 52.494 52.037 -0.009 0.000 0.755 192 A CB 0.154 19.085 19.000 -0.115 0.000 0.980 192 A HN 1.149 nan 8.150 nan 0.000 0.506 193 A N 2.160 124.972 122.820 -0.015 0.000 2.019 193 A HA -0.193 4.107 4.320 -0.034 0.000 0.219 193 A C 1.689 179.269 177.584 -0.006 0.000 1.164 193 A CA 1.576 53.621 52.037 0.014 0.000 0.644 193 A CB -0.902 18.095 19.000 -0.004 0.000 0.805 193 A HN 1.048 nan 8.150 nan 0.000 0.449 194 N N -1.318 117.315 118.700 -0.112 0.000 2.571 194 N HA -0.116 4.604 4.740 -0.034 0.000 0.189 194 N C 0.811 176.296 175.510 -0.042 0.000 1.154 194 N CA 0.389 53.353 53.050 -0.144 0.000 0.907 194 N CB -0.069 38.127 38.487 -0.484 0.000 0.977 194 N HN 0.396 nan 8.380 nan 0.000 0.449 195 Q N 0.767 120.561 119.800 -0.010 0.000 2.392 195 Q HA -0.043 4.277 4.340 -0.034 0.000 0.203 195 Q C 1.161 177.159 176.000 -0.005 0.000 0.917 195 Q CA 0.210 56.023 55.803 0.016 0.000 0.939 195 Q CB -0.011 28.741 28.738 0.023 0.000 1.063 195 Q HN 0.536 nan 8.270 nan 0.000 0.516 196 D N 2.321 122.766 120.400 0.075 0.000 2.106 196 D HA -0.238 4.382 4.640 -0.034 0.000 0.191 196 D C 1.371 177.682 176.300 0.018 0.000 0.997 196 D CA 1.666 55.728 54.000 0.104 0.000 0.834 196 D CB 0.265 41.153 40.800 0.145 0.000 0.956 196 D HN 0.551 nan 8.370 nan 0.000 0.448 197 E N 0.174 120.392 120.200 0.029 0.000 2.333 197 E HA -0.188 4.142 4.350 -0.034 0.000 0.198 197 E C 2.271 178.860 176.600 -0.017 0.000 1.007 197 E CA 0.415 56.826 56.400 0.017 0.000 0.845 197 E CB -0.360 29.362 29.700 0.036 0.000 0.766 197 E HN 0.229 nan 8.360 nan 0.000 0.507 198 R N 1.164 121.635 120.500 -0.048 0.000 2.161 198 R HA 0.118 4.438 4.340 -0.034 0.000 0.213 198 R C 0.333 176.550 176.300 -0.138 0.000 1.055 198 R CA 0.638 56.692 56.100 -0.076 0.000 0.996 198 R CB 0.135 30.395 30.300 -0.068 0.000 0.901 198 R HN 0.150 nan 8.270 nan 0.000 0.456 199 A N 2.496 125.178 122.820 -0.230 0.000 2.410 199 A HA 0.097 4.396 4.320 -0.034 0.000 0.292 199 A C -0.355 177.160 177.584 -0.115 0.000 1.232 199 A CA -0.391 51.471 52.037 -0.292 0.000 0.893 199 A CB -0.049 18.538 19.000 -0.688 0.000 1.131 199 A HN 0.614 nan 8.150 nan 0.000 0.530 200 N N 1.366 120.023 118.700 -0.072 0.000 2.217 200 N HA 0.004 4.724 4.740 -0.034 0.000 0.239 200 N C -0.687 174.819 175.510 -0.007 0.000 1.330 200 N CA -0.220 52.818 53.050 -0.021 0.000 0.838 200 N CB -0.203 38.274 38.487 -0.017 0.000 1.287 200 N HN 0.579 nan 8.380 nan 0.000 0.498 201 N N 0.393 119.086 118.700 -0.012 0.000 2.733 201 N HA 0.291 5.011 4.740 -0.034 0.000 0.271 201 N C -1.453 174.075 175.510 0.031 0.000 1.720 201 N CA -0.349 52.708 53.050 0.010 0.000 0.803 201 N CB 0.394 38.881 38.487 0.001 0.000 1.208 201 N HN 0.111 nan 8.380 nan 0.000 0.498 202 C N 1.520 120.847 119.300 0.044 0.000 2.507 202 C HA 0.424 4.864 4.460 -0.034 0.000 0.319 202 C C 1.965 176.980 174.990 0.041 0.000 1.208 202 C CA -0.816 58.236 59.018 0.056 0.000 1.619 202 C CB 0.587 28.387 27.740 0.099 0.000 2.230 202 C HN 0.660 nan 8.230 nan 0.000 0.492 203 I N 0.559 121.134 120.570 0.008 0.000 3.228 203 I HA 0.079 4.229 4.170 -0.034 0.000 0.279 203 I C 0.900 177.001 176.117 -0.027 0.000 1.221 203 I CA 0.657 61.959 61.300 0.004 0.000 1.458 203 I CB -0.309 37.690 38.000 -0.000 0.000 1.105 203 I HN 0.713 nan 8.210 nan 0.000 0.445 204 N N 3.879 122.500 118.700 -0.131 0.000 3.124 204 N HA 0.287 5.007 4.740 -0.034 0.000 0.284 204 N C -0.835 174.704 175.510 0.049 0.000 1.209 204 N CA -0.013 52.941 53.050 -0.160 0.000 1.149 204 N CB 0.502 38.692 38.487 -0.495 0.000 1.434 204 N HN 0.445 nan 8.380 nan 0.000 0.529 205 L N 0.550 121.827 121.223 0.089 0.000 2.333 205 L HA 0.421 4.741 4.340 -0.034 0.000 0.269 205 L C 0.198 177.125 176.870 0.096 0.000 1.010 205 L CA -1.209 53.685 54.840 0.090 0.000 0.818 205 L CB 1.570 43.673 42.059 0.073 0.000 1.306 205 L HN 0.301 nan 8.230 nan 0.000 0.430 206 D N -0.733 119.715 120.400 0.079 0.000 2.511 206 D HA 0.048 4.668 4.640 -0.034 0.000 0.276 206 D C 0.733 177.065 176.300 0.054 0.000 1.220 206 D CA -0.520 53.521 54.000 0.067 0.000 1.077 206 D CB 0.543 41.377 40.800 0.056 0.000 1.126 206 D HN 0.448 nan 8.370 nan 0.000 0.583 207 E N -0.619 119.608 120.200 0.044 0.000 2.118 207 E HA -0.202 4.128 4.350 -0.034 0.000 0.195 207 E C 1.211 177.831 176.600 0.035 0.000 0.992 207 E CA 1.176 57.598 56.400 0.037 0.000 0.804 207 E CB 0.023 29.741 29.700 0.030 0.000 0.741 207 E HN 0.283 nan 8.360 nan 0.000 0.458 208 K N -1.030 119.390 120.400 0.035 0.000 2.487 208 K HA 0.088 4.388 4.320 -0.034 0.000 0.192 208 K C 0.985 177.607 176.600 0.037 0.000 1.027 208 K CA 0.691 56.997 56.287 0.032 0.000 1.054 208 K CB 0.131 32.649 32.500 0.030 0.000 0.824 208 K HN 0.263 nan 8.250 nan 0.000 0.510 209 G N 0.805 109.631 108.800 0.044 0.000 2.136 209 G HA2 -0.304 3.636 3.960 -0.034 0.000 0.242 209 G HA3 -0.304 3.636 3.960 -0.034 0.000 0.242 209 G C -0.470 174.464 174.900 0.056 0.000 0.989 209 G CA -0.074 45.055 45.100 0.048 0.000 0.682 209 G HN 0.444 nan 8.290 nan 0.000 0.522 210 N N -0.633 118.101 118.700 0.057 0.000 2.487 210 N HA 0.489 5.209 4.740 -0.034 0.000 0.292 210 N C 0.477 176.033 175.510 0.076 0.000 1.108 210 N CA -0.868 52.220 53.050 0.064 0.000 0.956 210 N CB 1.904 40.422 38.487 0.052 0.000 1.176 210 N HN 0.010 nan 8.380 nan 0.000 0.484 211 V N 1.164 121.134 119.914 0.093 0.000 2.694 211 V HA 0.025 4.124 4.120 -0.034 0.000 0.306 211 V C 0.677 176.816 176.094 0.076 0.000 1.054 211 V CA 0.750 63.114 62.300 0.105 0.000 1.161 211 V CB 0.893 32.801 31.823 0.141 0.000 0.916 211 V HN 0.692 nan 8.190 nan 0.000 0.490 212 T N 2.196 116.806 114.554 0.094 0.000 2.900 212 T HA 0.410 4.740 4.350 -0.034 0.000 0.303 212 T C 0.574 175.340 174.700 0.110 0.000 1.142 212 T CA 0.100 62.249 62.100 0.082 0.000 1.007 212 T CB 1.768 70.690 68.868 0.090 0.000 1.156 212 T HN 0.878 nan 8.240 nan 0.000 0.490 213 T N 0.865 115.415 114.554 -0.007 0.000 3.122 213 T HA 0.356 4.686 4.350 -0.034 0.000 0.250 213 T C 0.646 175.301 174.700 -0.075 0.000 1.067 213 T CA -0.273 61.708 62.100 -0.199 0.000 0.966 213 T CB -0.129 68.526 68.868 -0.356 0.000 1.002 213 T HN 0.463 nan 8.240 nan 0.000 0.542 214 R N 0.764 121.287 120.500 0.039 0.000 2.459 214 R HA 0.532 4.852 4.340 -0.034 0.000 0.281 214 R C 1.012 177.317 176.300 0.008 0.000 1.050 214 R CA 0.153 56.262 56.100 0.015 0.000 1.055 214 R CB 0.690 30.997 30.300 0.013 0.000 1.045 214 R HN 0.344 nan 8.270 nan 0.000 0.495 215 G N 1.807 110.550 108.800 -0.095 0.000 2.171 215 G HA2 -0.286 3.654 3.960 -0.034 0.000 0.238 215 G HA3 -0.286 3.654 3.960 -0.034 0.000 0.238 215 G C 0.640 175.169 174.900 -0.618 0.000 1.039 215 G CA 0.148 45.104 45.100 -0.241 0.000 0.759 215 G HN 0.675 nan 8.290 nan 0.000 0.501 216 K N -1.126 119.094 120.400 -0.300 0.000 2.152 216 K HA -0.112 4.188 4.320 -0.034 0.000 0.206 216 K C 2.007 178.556 176.600 -0.086 0.000 1.048 216 K CA 1.391 57.596 56.287 -0.137 0.000 0.933 216 K CB -0.072 32.498 32.500 0.116 0.000 0.721 216 K HN 0.657 nan 8.250 nan 0.000 0.447 217 W N 2.395 123.585 121.300 -0.183 0.000 2.388 217 W HA -0.187 4.453 4.660 -0.034 0.000 0.294 217 W C 1.877 178.319 176.519 -0.129 0.000 1.212 217 W CA 2.062 59.335 57.345 -0.120 0.000 1.271 217 W CB -0.081 29.326 29.460 -0.089 0.000 1.126 217 W HN 0.196 nan 8.180 nan 0.000 0.535 218 T N -2.198 112.281 114.554 -0.125 0.000 2.867 218 T HA -0.225 4.105 4.350 -0.034 0.000 0.268 218 T C 1.515 176.136 174.700 -0.132 0.000 1.057 218 T CA 1.565 63.581 62.100 -0.140 0.000 1.136 218 T CB -0.814 68.011 68.868 -0.072 0.000 0.874 218 T HN 0.101 nan 8.240 nan 0.000 0.466 219 H N 0.979 119.990 119.070 -0.099 0.000 2.357 219 H HA 0.182 4.718 4.556 -0.034 0.000 0.301 219 H C 2.339 177.488 175.328 -0.297 0.000 1.082 219 H CA 1.097 57.053 56.048 -0.153 0.000 1.342 219 H CB -0.830 28.875 29.762 -0.096 0.000 1.389 219 H HN 0.339 nan 8.280 nan 0.000 0.511 220 L N 0.704 121.768 121.223 -0.265 0.000 2.046 220 L HA -0.209 4.111 4.340 -0.034 0.000 0.208 220 L C 2.255 178.855 176.870 -0.451 0.000 1.077 220 L CA 1.307 55.881 54.840 -0.444 0.000 0.747 220 L CB -0.073 41.616 42.059 -0.618 0.000 0.896 220 L HN 0.141 nan 8.230 nan 0.000 0.432 221 Q N -0.258 119.252 119.800 -0.483 0.000 2.170 221 Q HA -0.245 4.075 4.340 -0.034 0.000 0.203 221 Q C 2.244 178.143 176.000 -0.169 0.000 0.976 221 Q CA 1.421 57.021 55.803 -0.337 0.000 0.858 221 Q CB -0.435 28.130 28.738 -0.289 0.000 0.907 221 Q HN 0.399 nan 8.270 nan 0.000 0.433 222 R N 1.021 121.443 120.500 -0.130 0.000 2.075 222 R HA -0.055 4.265 4.340 -0.034 0.000 0.232 222 R C 1.997 178.280 176.300 -0.028 0.000 1.126 222 R CA 0.976 57.049 56.100 -0.044 0.000 0.963 222 R CB -0.496 29.799 30.300 -0.007 0.000 0.858 222 R HN 0.130 nan 8.270 nan 0.000 0.435 223 I N 0.914 121.397 120.570 -0.146 0.000 2.226 223 I HA -0.199 3.951 4.170 -0.034 0.000 0.245 223 I C 2.151 178.280 176.117 0.019 0.000 1.100 223 I CA 1.400 62.616 61.300 -0.141 0.000 1.374 223 I CB -1.014 36.654 38.000 -0.552 0.000 1.057 223 I HN 0.234 nan 8.210 nan 0.000 0.413 224 R N 0.313 120.775 120.500 -0.064 0.000 2.081 224 R HA -0.199 4.121 4.340 -0.034 0.000 0.235 224 R C 2.361 178.694 176.300 0.055 0.000 1.131 224 R CA 1.299 57.395 56.100 -0.008 0.000 0.960 224 R CB -0.401 29.854 30.300 -0.076 0.000 0.856 224 R HN 0.194 nan 8.270 nan 0.000 0.436 225 R N 1.633 122.157 120.500 0.040 0.000 2.081 225 R HA -0.126 4.194 4.340 -0.034 0.000 0.235 225 R C 1.339 177.710 176.300 0.118 0.000 1.131 225 R CA 1.929 58.068 56.100 0.065 0.000 0.960 225 R CB -0.619 29.708 30.300 0.045 0.000 0.856 225 R HN 0.143 nan 8.270 nan 0.000 0.436 226 D N 0.193 120.701 120.400 0.180 0.000 2.123 226 D HA -0.146 4.474 4.640 -0.034 0.000 0.196 226 D C 1.994 178.435 176.300 0.236 0.000 0.992 226 D CA 1.713 55.854 54.000 0.235 0.000 0.833 226 D CB -0.159 40.920 40.800 0.465 0.000 0.954 226 D HN 0.341 nan 8.370 nan 0.000 0.455 227 I N 0.797 121.541 120.570 0.291 0.000 2.202 227 I HA -0.280 3.870 4.170 -0.034 0.000 0.242 227 I C 2.496 178.744 176.117 0.218 0.000 1.091 227 I CA 1.056 62.527 61.300 0.284 0.000 1.368 227 I CB -0.240 37.926 38.000 0.276 0.000 1.058 227 I HN -0.036 nan 8.210 nan 0.000 0.410 228 Q N 0.382 120.271 119.800 0.149 0.000 2.061 228 Q HA -0.272 4.048 4.340 -0.034 0.000 0.204 228 Q C 1.973 178.026 176.000 0.089 0.000 0.984 228 Q CA 2.168 58.029 55.803 0.098 0.000 0.846 228 Q CB -0.381 28.397 28.738 0.068 0.000 0.902 228 Q HN 0.458 nan 8.270 nan 0.000 0.421 229 N N 0.250 119.013 118.700 0.105 0.000 2.120 229 N HA -0.198 4.521 4.740 -0.034 0.000 0.188 229 N C 1.428 177.001 175.510 0.106 0.000 1.024 229 N CA 0.998 54.100 53.050 0.087 0.000 0.852 229 N CB -0.230 38.309 38.487 0.087 0.000 1.003 229 N HN 0.196 nan 8.380 nan 0.000 0.424 230 F N 1.481 121.422 119.950 -0.015 0.000 2.095 230 F HA -0.090 4.417 4.527 -0.032 0.000 0.298 230 F C 1.908 177.694 175.800 -0.023 0.000 1.104 230 F CA 1.536 59.512 58.000 -0.041 0.000 1.232 230 F CB -0.324 38.631 39.000 -0.074 0.000 0.987 230 F HN 0.018 nan 8.300 nan 0.000 0.475 231 K N -0.001 120.335 120.400 -0.106 0.000 2.002 231 K HA -0.245 4.055 4.320 -0.034 0.000 0.209 231 K C 2.171 178.668 176.600 -0.171 0.000 1.048 231 K CA 1.876 58.044 56.287 -0.199 0.000 0.930 231 K CB -0.484 31.989 32.500 -0.044 0.000 0.714 231 K HN 0.407 nan 8.250 nan 0.000 0.438 232 E N 1.353 121.505 120.200 -0.080 0.000 2.051 232 E HA -0.223 4.107 4.350 -0.034 0.000 0.192 232 E C 1.800 178.354 176.600 -0.077 0.000 0.991 232 E CA 1.356 57.720 56.400 -0.060 0.000 0.799 232 E CB 0.134 29.822 29.700 -0.020 0.000 0.748 232 E HN 0.271 nan 8.360 nan 0.000 0.449 233 E N 0.027 120.182 120.200 -0.076 0.000 2.097 233 E HA -0.204 4.126 4.350 -0.034 0.000 0.196 233 E C 1.338 177.872 176.600 -0.109 0.000 1.000 233 E CA 1.545 57.905 56.400 -0.067 0.000 0.804 233 E CB -0.153 29.529 29.700 -0.030 0.000 0.740 233 E HN 0.314 nan 8.360 nan 0.000 0.454 234 N N -0.567 118.006 118.700 -0.211 0.000 2.270 234 N HA 0.244 4.964 4.740 -0.034 0.000 0.198 234 N C -0.376 175.027 175.510 -0.178 0.000 1.117 234 N CA 0.556 53.473 53.050 -0.223 0.000 0.845 234 N CB 1.204 39.457 38.487 -0.389 0.000 0.980 234 N HN 0.108 nan 8.380 nan 0.000 0.486 235 A N 0.313 123.047 122.820 -0.144 0.000 2.687 235 A HA -0.211 4.089 4.320 -0.034 0.000 0.299 235 A C -0.350 177.168 177.584 -0.111 0.000 1.497 235 A CA 0.601 52.578 52.037 -0.101 0.000 0.751 235 A CB -2.248 16.711 19.000 -0.067 0.000 1.048 235 A HN 0.324 nan 8.150 nan 0.000 0.464 236 L N -0.346 120.782 121.223 -0.158 0.000 2.325 236 L HA 0.548 4.868 4.340 -0.034 0.000 0.278 236 L C 1.133 177.950 176.870 -0.088 0.000 1.023 236 L CA -0.300 54.456 54.840 -0.140 0.000 0.811 236 L CB 1.473 43.388 42.059 -0.240 0.000 1.249 236 L HN 0.560 nan 8.230 nan 0.000 0.431 237 D N -0.306 120.065 120.400 -0.049 0.000 2.423 237 D HA 0.038 4.658 4.640 -0.034 0.000 0.208 237 D C 0.055 176.349 176.300 -0.010 0.000 1.068 237 D CA 0.295 54.279 54.000 -0.027 0.000 0.860 237 D CB 0.481 41.269 40.800 -0.019 0.000 0.992 237 D HN 0.184 nan 8.370 nan 0.000 0.504 238 K N 0.685 121.083 120.400 -0.003 0.000 2.397 238 K HA 0.618 4.918 4.320 -0.034 0.000 0.253 238 K C -1.269 175.354 176.600 0.038 0.000 0.932 238 K CA -0.804 55.495 56.287 0.019 0.000 0.795 238 K CB 3.362 35.877 32.500 0.026 0.000 1.159 238 K HN -0.142 nan 8.250 nan 0.000 0.424 239 V N 3.996 123.951 119.914 0.067 0.000 2.925 239 V HA 0.561 4.660 4.120 -0.034 0.000 0.311 239 V C -0.624 175.527 176.094 0.095 0.000 1.104 239 V CA -0.895 61.474 62.300 0.115 0.000 0.954 239 V CB 2.424 34.369 31.823 0.203 0.000 1.022 239 V HN 0.650 nan 8.190 nan 0.000 0.427 240 I N 2.780 123.390 120.570 0.067 0.000 2.582 240 I HA 0.576 4.726 4.170 -0.034 0.000 0.292 240 I C -0.980 175.168 176.117 0.051 0.000 1.066 240 I CA -0.952 60.378 61.300 0.051 0.000 1.053 240 I CB 2.372 40.360 38.000 -0.020 0.000 1.241 240 I HN 0.246 nan 8.210 nan 0.000 0.421 241 V N 6.463 126.438 119.914 0.103 0.000 2.513 241 V HA 0.526 4.626 4.120 -0.034 0.000 0.299 241 V C -0.483 175.571 176.094 -0.067 0.000 1.035 241 V CA -0.611 61.760 62.300 0.119 0.000 0.889 241 V CB 2.125 34.146 31.823 0.331 0.000 0.988 241 V HN 0.489 nan 8.190 nan 0.000 0.440 242 L N 4.550 125.709 121.223 -0.107 0.000 2.436 242 L HA 0.548 4.867 4.340 -0.034 0.000 0.268 242 L C -1.139 175.634 176.870 -0.162 0.000 0.974 242 L CA -0.382 54.339 54.840 -0.197 0.000 0.826 242 L CB 1.812 43.793 42.059 -0.130 0.000 1.291 242 L HN 0.823 nan 8.230 nan 0.000 0.406 243 W N 5.405 126.470 121.300 -0.392 0.000 2.388 243 W HA 0.288 4.926 4.660 -0.037 0.000 0.308 243 W C -0.551 175.871 176.519 -0.162 0.000 1.263 243 W CA -0.154 57.028 57.345 -0.272 0.000 1.286 243 W CB 1.436 30.756 29.460 -0.233 0.000 1.294 243 W HN 0.624 nan 8.180 nan 0.000 0.493 244 T N 4.678 118.953 114.554 -0.465 0.000 3.633 244 T HA 0.483 4.813 4.350 -0.034 0.000 0.278 244 T C -0.218 174.197 174.700 -0.475 0.000 0.991 244 T CA -0.068 61.854 62.100 -0.296 0.000 1.036 244 T CB -0.802 67.967 68.868 -0.165 0.000 1.148 244 T HN 0.446 nan 8.240 nan 0.000 0.501 245 A N 1.355 123.593 122.820 -0.970 0.000 2.284 245 A HA 0.807 5.107 4.320 -0.034 0.000 0.317 245 A C 0.060 177.519 177.584 -0.208 0.000 1.120 245 A CA -0.815 50.764 52.037 -0.764 0.000 0.900 245 A CB 0.389 18.568 19.000 -1.368 0.000 1.319 245 A HN 0.525 nan 8.150 nan 0.000 0.494 246 N N 0.871 119.541 118.700 -0.051 0.000 2.225 246 N HA 0.076 4.796 4.740 -0.034 0.000 0.257 246 N C -0.075 175.629 175.510 0.323 0.000 1.252 246 N CA 0.822 53.952 53.050 0.133 0.000 0.833 246 N CB -0.018 38.545 38.487 0.126 0.000 1.068 246 N HN 0.538 nan 8.380 nan 0.000 0.468 247 T N 2.480 117.189 114.554 0.257 0.000 2.902 247 T HA 0.039 4.369 4.350 -0.034 0.000 0.301 247 T C 0.496 175.339 174.700 0.238 0.000 1.012 247 T CA 0.122 62.375 62.100 0.255 0.000 1.151 247 T CB 0.150 69.123 68.868 0.174 0.000 0.946 247 T HN 0.335 nan 8.240 nan 0.000 0.542 248 E N 1.574 121.906 120.200 0.219 0.000 2.250 248 E HA 0.382 4.712 4.350 -0.034 0.000 0.265 248 E C 0.413 177.136 176.600 0.205 0.000 1.033 248 E CA -1.026 55.510 56.400 0.226 0.000 0.888 248 E CB 1.140 30.951 29.700 0.186 0.000 1.151 248 E HN 0.576 nan 8.360 nan 0.000 0.412 249 R N 0.399 121.032 120.500 0.221 0.000 2.637 249 R HA 0.218 4.538 4.340 -0.034 0.000 0.269 249 R C -0.453 176.020 176.300 0.287 0.000 1.089 249 R CA -0.449 55.763 56.100 0.187 0.000 1.177 249 R CB 0.344 30.698 30.300 0.091 0.000 1.091 249 R HN 0.508 nan 8.270 nan 0.000 0.540 250 Y N 0.127 120.446 120.300 0.031 0.000 2.330 250 Y HA 0.218 4.756 4.550 -0.021 0.000 0.341 250 Y C 0.814 176.751 175.900 0.061 0.000 1.278 250 Y CA -0.885 57.233 58.100 0.029 0.000 1.453 250 Y CB 1.442 39.904 38.460 0.003 0.000 1.342 250 Y HN 0.425 nan 8.280 nan 0.000 0.590 251 V N -0.445 119.575 119.914 0.176 0.000 2.881 251 V HA 0.451 4.551 4.120 -0.034 0.000 0.316 251 V C -0.610 175.551 176.094 0.112 0.000 1.070 251 V CA -1.131 61.264 62.300 0.158 0.000 0.976 251 V CB 1.759 33.677 31.823 0.159 0.000 1.038 251 V HN 0.807 nan 8.190 nan 0.000 0.446 252 E N 1.491 121.749 120.200 0.097 0.000 2.301 252 E HA 0.499 4.829 4.350 -0.034 0.000 0.275 252 E C -1.266 175.358 176.600 0.040 0.000 1.030 252 E CA -0.684 55.761 56.400 0.074 0.000 0.852 252 E CB 1.877 31.617 29.700 0.067 0.000 1.060 252 E HN 0.680 nan 8.360 nan 0.000 0.401 253 V N 3.952 123.884 119.914 0.029 0.000 2.348 253 V HA 0.230 4.330 4.120 -0.034 0.000 0.270 253 V C -0.457 175.639 176.094 0.003 0.000 1.037 253 V CA -0.299 62.004 62.300 0.004 0.000 0.872 253 V CB 1.120 32.948 31.823 0.008 0.000 1.002 253 V HN 0.599 nan 8.190 nan 0.000 0.464 254 S N 6.739 122.427 115.700 -0.019 0.000 2.513 254 S HA 0.590 5.040 4.470 -0.034 0.000 0.299 254 S C -2.719 171.866 174.600 -0.026 0.000 1.087 254 S CA -1.252 56.940 58.200 -0.013 0.000 1.012 254 S CB 2.168 65.365 63.200 -0.005 0.000 1.044 254 S HN 0.471 nan 8.310 nan 0.000 0.485 255 P HA 0.247 nan 4.420 nan 0.000 0.268 255 P C 0.948 178.237 177.300 -0.019 0.000 1.204 255 P CA 0.865 63.958 63.100 -0.011 0.000 0.768 255 P CB 0.358 32.057 31.700 -0.001 0.000 0.842 256 G N 0.999 109.784 108.800 -0.026 0.000 2.205 256 G HA2 -0.279 3.661 3.960 -0.034 0.000 0.261 256 G HA3 -0.279 3.661 3.960 -0.034 0.000 0.261 256 G C 0.710 175.577 174.900 -0.056 0.000 0.980 256 G CA 0.445 45.527 45.100 -0.029 0.000 0.632 256 G HN 0.418 nan 8.290 nan 0.000 0.533 257 V N 0.518 120.375 119.914 -0.095 0.000 2.784 257 V HA 0.203 4.303 4.120 -0.034 0.000 0.231 257 V C 1.555 177.549 176.094 -0.167 0.000 1.128 257 V CA 1.791 63.971 62.300 -0.200 0.000 1.178 257 V CB -0.016 31.588 31.823 -0.366 0.000 0.943 257 V HN 0.710 nan 8.190 nan 0.000 0.500 258 N N -0.082 118.542 118.700 -0.127 0.000 2.377 258 N HA 0.040 4.760 4.740 -0.034 0.000 0.259 258 N C 0.167 175.651 175.510 -0.043 0.000 1.332 258 N CA 0.394 53.395 53.050 -0.083 0.000 0.877 258 N CB 0.371 38.806 38.487 -0.087 0.000 1.299 258 N HN 0.480 nan 8.380 nan 0.000 0.501 259 D N 0.537 120.916 120.400 -0.036 0.000 2.305 259 D HA -0.058 4.562 4.640 -0.034 0.000 0.206 259 D C 0.753 177.050 176.300 -0.004 0.000 0.974 259 D CA 0.889 54.882 54.000 -0.013 0.000 0.871 259 D CB -0.055 40.739 40.800 -0.011 0.000 0.947 259 D HN 0.297 nan 8.370 nan 0.000 0.516 260 T N -4.101 110.444 114.554 -0.014 0.000 2.906 260 T HA 0.382 4.712 4.350 -0.034 0.000 0.295 260 T C 1.023 175.713 174.700 -0.017 0.000 1.075 260 T CA -0.818 61.276 62.100 -0.010 0.000 1.005 260 T CB 2.042 70.901 68.868 -0.014 0.000 1.136 260 T HN -0.073 nan 8.240 nan 0.000 0.498 261 M N 0.662 120.251 119.600 -0.019 0.000 2.082 261 M HA -0.152 4.308 4.480 -0.034 0.000 0.258 261 M C 1.662 177.936 176.300 -0.044 0.000 1.069 261 M CA 2.183 57.464 55.300 -0.031 0.000 1.102 261 M CB -0.419 32.145 32.600 -0.061 0.000 1.336 261 M HN 0.811 nan 8.290 nan 0.000 0.404 262 E N 0.786 120.952 120.200 -0.057 0.000 2.047 262 E HA -0.133 4.197 4.350 -0.034 0.000 0.191 262 E C 1.741 178.310 176.600 -0.052 0.000 0.987 262 E CA 1.576 57.939 56.400 -0.061 0.000 0.799 262 E CB -0.372 29.291 29.700 -0.062 0.000 0.752 262 E HN 0.575 nan 8.360 nan 0.000 0.449 263 N N 0.352 119.025 118.700 -0.045 0.000 2.188 263 N HA -0.129 4.591 4.740 -0.034 0.000 0.184 263 N C 1.781 177.263 175.510 -0.047 0.000 1.018 263 N CA 0.584 53.605 53.050 -0.047 0.000 0.858 263 N CB -0.272 38.187 38.487 -0.046 0.000 0.989 263 N HN 0.108 nan 8.380 nan 0.000 0.426 264 L N 1.365 122.567 121.223 -0.035 0.000 1.989 264 L HA -0.067 4.253 4.340 -0.034 0.000 0.211 264 L C 2.059 178.938 176.870 0.015 0.000 1.071 264 L CA 1.383 56.210 54.840 -0.021 0.000 0.749 264 L CB -0.659 41.394 42.059 -0.011 0.000 0.890 264 L HN 0.081 nan 8.230 nan 0.000 0.431 265 L N -0.972 120.268 121.223 0.028 0.000 2.083 265 L HA -0.217 4.103 4.340 -0.034 0.000 0.209 265 L C 2.630 179.486 176.870 -0.024 0.000 1.083 265 L CA 1.352 56.242 54.840 0.083 0.000 0.752 265 L CB -0.631 41.466 42.059 0.063 0.000 0.899 265 L HN 0.395 nan 8.230 nan 0.000 0.433 266 Q N -0.066 119.690 119.800 -0.073 0.000 2.119 266 Q HA -0.131 4.189 4.340 -0.034 0.000 0.201 266 Q C 2.284 178.259 176.000 -0.043 0.000 0.972 266 Q CA 1.819 57.559 55.803 -0.104 0.000 0.847 266 Q CB -0.095 28.590 28.738 -0.088 0.000 0.903 266 Q HN 0.302 nan 8.270 nan 0.000 0.433 267 S N -0.189 115.505 115.700 -0.009 0.000 2.382 267 S HA -0.058 4.392 4.470 -0.034 0.000 0.228 267 S C 1.778 176.430 174.600 0.087 0.000 1.027 267 S CA 1.129 59.349 58.200 0.034 0.000 0.991 267 S CB -0.251 62.919 63.200 -0.050 0.000 0.823 267 S HN 0.412 nan 8.310 nan 0.000 0.469 268 I N 1.373 122.004 120.570 0.102 0.000 2.202 268 I HA -0.209 3.941 4.170 -0.034 0.000 0.242 268 I C 2.259 178.482 176.117 0.176 0.000 1.091 268 I CA 1.212 62.617 61.300 0.174 0.000 1.368 268 I CB -0.291 37.883 38.000 0.289 0.000 1.058 268 I HN 0.214 nan 8.210 nan 0.000 0.410 269 K N 0.768 121.227 120.400 0.098 0.000 2.147 269 K HA -0.140 4.160 4.320 -0.034 0.000 0.205 269 K C 1.314 177.905 176.600 -0.015 0.000 1.049 269 K CA 1.426 57.698 56.287 -0.025 0.000 0.936 269 K CB -0.347 31.965 32.500 -0.314 0.000 0.722 269 K HN 0.473 nan 8.250 nan 0.000 0.446 270 N N 0.835 119.538 118.700 0.004 0.000 2.398 270 N HA -0.050 4.669 4.740 -0.034 0.000 0.188 270 N C -0.813 174.710 175.510 0.021 0.000 1.122 270 N CA -0.104 52.951 53.050 0.009 0.000 0.866 270 N CB 0.387 38.891 38.487 0.029 0.000 0.970 270 N HN 0.042 nan 8.380 nan 0.000 0.462 271 D N 0.410 120.833 120.400 0.038 0.000 2.837 271 D HA -0.222 4.398 4.640 -0.034 0.000 0.230 271 D C -0.139 176.174 176.300 0.021 0.000 1.152 271 D CA 0.898 54.906 54.000 0.013 0.000 0.736 271 D CB -1.751 39.029 40.800 -0.032 0.000 1.084 271 D HN 0.480 nan 8.370 nan 0.000 0.429 272 H N 0.990 120.056 119.070 -0.007 0.000 2.972 272 H HA -0.002 4.533 4.556 -0.035 0.000 0.343 272 H C 1.301 176.643 175.328 0.023 0.000 1.054 272 H CA 1.017 57.068 56.048 0.004 0.000 1.412 272 H CB 0.709 30.478 29.762 0.013 0.000 1.385 272 H HN 0.242 nan 8.280 nan 0.000 0.600 273 E N 2.869 123.055 120.200 -0.023 0.000 2.409 273 E HA -0.129 4.201 4.350 -0.034 0.000 0.198 273 E C 0.860 177.672 176.600 0.354 0.000 1.024 273 E CA 0.572 57.041 56.400 0.114 0.000 0.861 273 E CB 0.236 29.907 29.700 -0.047 0.000 0.788 273 E HN 0.681 nan 8.360 nan 0.000 0.521 274 E N 0.275 120.808 120.200 0.555 0.000 2.476 274 E HA 0.014 4.343 4.350 -0.034 0.000 0.191 274 E C -0.140 176.603 176.600 0.238 0.000 1.064 274 E CA -0.064 56.538 56.400 0.337 0.000 0.866 274 E CB 0.471 30.255 29.700 0.140 0.000 0.952 274 E HN 0.102 nan 8.360 nan 0.000 0.492 275 I N 1.856 122.568 120.570 0.236 0.000 2.291 275 I HA 0.247 4.397 4.170 -0.034 0.000 0.290 275 I C 0.469 176.557 176.117 -0.048 0.000 1.050 275 I CA -0.481 60.872 61.300 0.088 0.000 1.245 275 I CB 0.274 38.335 38.000 0.101 0.000 1.405 275 I HN -0.116 nan 8.210 nan 0.000 0.478 276 A N 8.982 131.619 122.820 -0.306 0.000 2.257 276 A HA 0.628 4.928 4.320 -0.034 0.000 0.289 276 A C -1.599 175.710 177.584 -0.458 0.000 1.095 276 A CA -1.225 50.268 52.037 -0.906 0.000 0.836 276 A CB 0.185 18.722 19.000 -0.773 0.000 1.111 276 A HN 0.461 nan 8.150 nan 0.000 0.497 277 P HA -0.161 nan 4.420 nan 0.000 0.216 277 P C 1.769 179.057 177.300 -0.021 0.000 1.150 277 P CA 2.271 65.188 63.100 -0.305 0.000 0.837 277 P CB 0.046 31.642 31.700 -0.172 0.000 0.786 278 S N -1.799 113.757 115.700 -0.241 0.000 2.399 278 S HA -0.152 4.298 4.470 -0.034 0.000 0.231 278 S C 1.848 176.247 174.600 -0.335 0.000 1.022 278 S CA 1.930 59.857 58.200 -0.456 0.000 0.983 278 S CB -1.988 60.498 63.200 -1.190 0.000 0.803 278 S HN 0.115 nan 8.310 nan 0.000 0.480 279 T N 2.959 117.318 114.554 -0.325 0.000 2.720 279 T HA 0.060 4.390 4.350 -0.034 0.000 0.268 279 T C 1.754 176.317 174.700 -0.230 0.000 1.037 279 T CA 1.596 63.533 62.100 -0.272 0.000 1.144 279 T CB -0.505 68.250 68.868 -0.188 0.000 0.864 279 T HN 0.418 nan 8.240 nan 0.000 0.444 280 I N -0.166 120.282 120.570 -0.203 0.000 2.252 280 I HA -0.093 4.057 4.170 -0.034 0.000 0.245 280 I C 2.063 177.978 176.117 -0.337 0.000 1.102 280 I CA 1.377 62.524 61.300 -0.255 0.000 1.385 280 I CB -0.389 37.438 38.000 -0.288 0.000 1.064 280 I HN 0.152 nan 8.210 nan 0.000 0.414 281 F N 0.985 120.768 119.950 -0.277 0.000 2.171 281 F HA -0.212 4.294 4.527 -0.034 0.000 0.300 281 F C 2.623 178.177 175.800 -0.411 0.000 1.090 281 F CA 1.430 59.272 58.000 -0.265 0.000 1.293 281 F CB -0.500 38.472 39.000 -0.047 0.000 1.013 281 F HN 0.004 nan 8.300 nan 0.000 0.486 282 A N -0.085 122.390 122.820 -0.575 0.000 1.873 282 A HA -0.077 4.223 4.320 -0.034 0.000 0.215 282 A C 2.379 179.744 177.584 -0.364 0.000 1.186 282 A CA 1.665 53.124 52.037 -0.962 0.000 0.616 282 A CB -1.293 17.165 19.000 -0.903 0.000 0.823 282 A HN 0.307 nan 8.150 nan 0.000 0.442 283 A N -0.087 122.582 122.820 -0.251 0.000 1.877 283 A HA 0.155 4.455 4.320 -0.034 0.000 0.216 283 A C 2.516 180.022 177.584 -0.130 0.000 1.186 283 A CA 2.151 54.103 52.037 -0.142 0.000 0.620 283 A CB -1.065 17.863 19.000 -0.120 0.000 0.822 283 A HN 1.074 nan 8.150 nan 0.000 0.443 284 A N -0.605 122.107 122.820 -0.181 0.000 1.933 284 A HA -0.070 4.230 4.320 -0.034 0.000 0.218 284 A C 2.446 180.006 177.584 -0.039 0.000 1.175 284 A CA 2.122 54.066 52.037 -0.154 0.000 0.628 284 A CB -0.800 18.058 19.000 -0.236 0.000 0.814 284 A HN 0.458 nan 8.150 nan 0.000 0.444 285 S N -0.214 115.492 115.700 0.009 0.000 2.355 285 S HA -0.073 4.377 4.470 -0.034 0.000 0.222 285 S C 1.815 176.467 174.600 0.086 0.000 1.031 285 S CA 1.357 59.631 58.200 0.123 0.000 0.993 285 S CB -0.467 62.900 63.200 0.278 0.000 0.859 285 S HN 0.540 nan 8.310 nan 0.000 0.453 286 I N 1.478 122.074 120.570 0.044 0.000 2.208 286 I HA -0.191 3.959 4.170 -0.034 0.000 0.245 286 I C 1.951 178.089 176.117 0.035 0.000 1.097 286 I CA 1.156 62.483 61.300 0.045 0.000 1.363 286 I CB -0.356 37.664 38.000 0.032 0.000 1.051 286 I HN 0.226 nan 8.210 nan 0.000 0.413 287 L N 0.041 121.275 121.223 0.019 0.000 2.275 287 L HA -0.139 4.181 4.340 -0.034 0.000 0.215 287 L C 2.096 178.980 176.870 0.024 0.000 1.119 287 L CA 0.861 55.715 54.840 0.023 0.000 0.790 287 L CB -0.363 41.694 42.059 -0.003 0.000 0.919 287 L HN 0.229 nan 8.230 nan 0.000 0.443 288 E N -0.019 120.200 120.200 0.032 0.000 2.479 288 E HA 0.067 4.397 4.350 -0.034 0.000 0.193 288 E C 1.408 178.032 176.600 0.040 0.000 1.049 288 E CA 0.671 57.096 56.400 0.043 0.000 0.870 288 E CB 0.423 30.165 29.700 0.070 0.000 0.944 288 E HN 0.416 nan 8.360 nan 0.000 0.492 289 G N 1.585 110.403 108.800 0.030 0.000 2.160 289 G HA2 -0.274 3.666 3.960 -0.034 0.000 0.251 289 G HA3 -0.274 3.666 3.960 -0.034 0.000 0.251 289 G C 0.439 175.347 174.900 0.013 0.000 1.008 289 G CA 0.560 45.662 45.100 0.003 0.000 0.724 289 G HN 0.240 nan 8.290 nan 0.000 0.514 290 V N -2.639 117.315 119.914 0.067 0.000 2.435 290 V HA 0.806 4.906 4.120 -0.034 0.000 0.290 290 V C -1.782 174.399 176.094 0.145 0.000 1.030 290 V CA -3.110 59.251 62.300 0.100 0.000 0.881 290 V CB 1.887 33.799 31.823 0.147 0.000 0.983 290 V HN 0.023 nan 8.190 nan 0.000 0.445 291 P HA 0.140 nan 4.420 nan 0.000 0.265 291 P C -1.441 176.021 177.300 0.269 0.000 1.187 291 P CA 0.513 63.743 63.100 0.217 0.000 0.766 291 P CB 0.015 31.855 31.700 0.234 0.000 0.820 292 Y N 3.610 124.016 120.300 0.176 0.000 2.338 292 Y HA 0.576 5.106 4.550 -0.035 0.000 0.333 292 Y C -0.930 175.121 175.900 0.251 0.000 0.968 292 Y CA -0.758 57.469 58.100 0.212 0.000 1.123 292 Y CB 0.942 39.551 38.460 0.248 0.000 1.165 292 Y HN 0.188 nan 8.280 nan 0.000 0.452 293 I N 5.708 126.131 120.570 -0.245 0.000 2.406 293 I HA 0.269 4.418 4.170 -0.034 0.000 0.290 293 I C -0.762 175.255 176.117 -0.167 0.000 0.999 293 I CA -0.897 60.362 61.300 -0.068 0.000 1.124 293 I CB 1.563 39.535 38.000 -0.047 0.000 1.289 293 I HN 0.578 nan 8.210 nan 0.000 0.441 294 N N 4.594 123.375 118.700 0.135 0.000 2.500 294 N HA 0.261 4.981 4.740 -0.034 0.000 0.236 294 N C 0.725 176.317 175.510 0.137 0.000 1.022 294 N CA -0.291 52.821 53.050 0.104 0.000 0.935 294 N CB 1.501 40.045 38.487 0.096 0.000 1.147 294 N HN 0.759 nan 8.380 nan 0.000 0.512 295 G N 1.337 110.241 108.800 0.173 0.000 3.088 295 G HA2 0.039 3.979 3.960 -0.034 0.000 0.212 295 G HA3 0.039 3.979 3.960 -0.034 0.000 0.212 295 G C 0.017 175.033 174.900 0.193 0.000 1.173 295 G CA -0.050 45.148 45.100 0.163 0.000 0.779 295 G HN 0.493 nan 8.290 nan 0.000 0.540 296 S N -0.091 115.738 115.700 0.214 0.000 2.689 296 S HA 0.504 4.954 4.470 -0.034 0.000 0.306 296 S C -1.811 172.835 174.600 0.076 0.000 1.104 296 S CA -1.046 57.261 58.200 0.177 0.000 0.973 296 S CB 2.711 66.087 63.200 0.293 0.000 1.121 296 S HN -0.010 nan 8.310 nan 0.000 0.523 297 P HA 0.011 nan 4.420 nan 0.000 0.251 297 P C 0.005 177.360 177.300 0.091 0.000 1.223 297 P CA 0.220 63.372 63.100 0.086 0.000 0.796 297 P CB 0.058 31.815 31.700 0.095 0.000 1.068 298 Q N 2.129 121.938 119.800 0.014 0.000 2.428 298 Q HA -0.060 4.260 4.340 -0.034 0.000 0.276 298 Q C 0.037 175.821 176.000 -0.359 0.000 1.059 298 Q CA 0.418 56.178 55.803 -0.070 0.000 0.923 298 Q CB -0.502 28.173 28.738 -0.105 0.000 1.283 298 Q HN 0.303 nan 8.270 nan 0.000 0.447 299 N N 0.750 118.998 118.700 -0.753 0.000 3.243 299 N HA 0.017 4.737 4.740 -0.034 0.000 0.310 299 N C -0.047 175.199 175.510 -0.440 0.000 1.313 299 N CA -0.128 52.519 53.050 -0.671 0.000 1.204 299 N CB 0.191 38.082 38.487 -0.993 0.000 1.483 299 N HN 0.471 nan 8.380 nan 0.000 0.553 300 T N 0.358 114.613 114.554 -0.499 0.000 2.665 300 T HA -0.187 4.143 4.350 -0.034 0.000 0.268 300 T C 0.368 174.770 174.700 -0.496 0.000 1.035 300 T CA 1.238 62.976 62.100 -0.602 0.000 1.151 300 T CB -0.405 67.909 68.868 -0.924 0.000 0.862 300 T HN 0.448 nan 8.240 nan 0.000 0.438 301 F N 3.571 123.446 119.950 -0.125 0.000 2.662 301 F HA 0.261 4.768 4.527 -0.033 0.000 0.365 301 F C 0.929 176.686 175.800 -0.072 0.000 1.222 301 F CA -1.166 56.786 58.000 -0.079 0.000 1.315 301 F CB -0.900 38.083 39.000 -0.028 0.000 1.711 301 F HN -0.033 nan 8.300 nan 0.000 0.651 302 V N -0.431 119.501 119.914 0.030 0.000 3.237 302 V HA 0.088 4.187 4.120 -0.034 0.000 0.305 302 V C -1.545 174.579 176.094 0.050 0.000 1.096 302 V CA -1.505 60.801 62.300 0.010 0.000 1.130 302 V CB 0.395 32.199 31.823 -0.033 0.000 1.048 302 V HN 0.170 nan 8.190 nan 0.000 0.484 303 P HA -0.125 nan 4.420 nan 0.000 0.216 303 P C 1.667 178.993 177.300 0.043 0.000 1.157 303 P CA 2.306 65.435 63.100 0.049 0.000 0.880 303 P CB -0.185 31.536 31.700 0.035 0.000 0.791 304 G N -0.910 107.903 108.800 0.021 0.000 2.448 304 G HA2 -0.235 3.705 3.960 -0.034 0.000 0.219 304 G HA3 -0.235 3.705 3.960 -0.034 0.000 0.219 304 G C 1.415 176.331 174.900 0.026 0.000 1.127 304 G CA 0.394 45.502 45.100 0.013 0.000 0.766 304 G HN 0.196 nan 8.290 nan 0.000 0.552 305 L N 0.477 121.725 121.223 0.040 0.000 2.131 305 L HA 0.166 4.486 4.340 -0.034 0.000 0.206 305 L C 2.922 179.844 176.870 0.086 0.000 1.087 305 L CA 0.898 55.775 54.840 0.063 0.000 0.767 305 L CB -0.267 41.841 42.059 0.081 0.000 0.917 305 L HN 0.082 nan 8.230 nan 0.000 0.441 306 V N -0.802 119.166 119.914 0.090 0.000 2.427 306 V HA -0.304 3.796 4.120 -0.034 0.000 0.248 306 V C 2.489 178.616 176.094 0.054 0.000 1.051 306 V CA 1.609 63.945 62.300 0.060 0.000 1.048 306 V CB -0.562 31.309 31.823 0.081 0.000 0.666 306 V HN 0.509 nan 8.190 nan 0.000 0.456 307 Q N -0.808 119.032 119.800 0.065 0.000 2.050 307 Q HA -0.234 4.086 4.340 -0.034 0.000 0.202 307 Q C 2.314 178.361 176.000 0.078 0.000 0.980 307 Q CA 1.838 57.683 55.803 0.071 0.000 0.840 307 Q CB -0.292 28.476 28.738 0.050 0.000 0.898 307 Q HN 0.523 nan 8.270 nan 0.000 0.424 308 L N 0.523 121.782 121.223 0.060 0.000 2.042 308 L HA -0.176 4.144 4.340 -0.034 0.000 0.210 308 L C 2.142 179.069 176.870 0.094 0.000 1.076 308 L CA 2.156 57.040 54.840 0.073 0.000 0.749 308 L CB -0.699 41.388 42.059 0.047 0.000 0.893 308 L HN 0.141 nan 8.230 nan 0.000 0.432 309 A N -1.047 121.806 122.820 0.054 0.000 1.902 309 A HA -0.214 4.086 4.320 -0.034 0.000 0.217 309 A C 2.172 179.756 177.584 -0.001 0.000 1.181 309 A CA 1.738 53.788 52.037 0.022 0.000 0.623 309 A CB -0.600 18.393 19.000 -0.013 0.000 0.818 309 A HN 0.602 nan 8.150 nan 0.000 0.443 310 E N -1.380 118.821 120.200 0.002 0.000 2.077 310 E HA -0.213 4.117 4.350 -0.034 0.000 0.193 310 E C 2.056 178.687 176.600 0.053 0.000 0.989 310 E CA 1.090 57.489 56.400 -0.002 0.000 0.800 310 E CB -0.323 29.413 29.700 0.059 0.000 0.746 310 E HN 0.817 nan 8.360 nan 0.000 0.452 311 H N 0.843 119.917 119.070 0.007 0.000 2.326 311 H HA -0.065 4.471 4.556 -0.034 0.000 0.301 311 H C 1.603 176.932 175.328 0.003 0.000 1.081 311 H CA 1.157 57.212 56.048 0.013 0.000 1.334 311 H CB 0.461 30.234 29.762 0.018 0.000 1.385 311 H HN 0.062 nan 8.280 nan 0.000 0.504 312 E N 0.096 120.313 120.200 0.028 0.000 2.358 312 E HA 0.015 4.345 4.350 -0.034 0.000 0.195 312 E C 1.246 177.799 176.600 -0.077 0.000 1.010 312 E CA 0.731 57.112 56.400 -0.032 0.000 0.856 312 E CB -0.139 29.591 29.700 0.049 0.000 0.795 312 E HN 0.716 nan 8.360 nan 0.000 0.504 313 G N 2.004 110.765 108.800 -0.065 0.000 2.246 313 G HA2 -0.248 3.692 3.960 -0.034 0.000 0.273 313 G HA3 -0.248 3.692 3.960 -0.034 0.000 0.273 313 G C 0.107 174.929 174.900 -0.130 0.000 1.055 313 G CA 0.791 45.844 45.100 -0.079 0.000 0.851 313 G HN 0.195 nan 8.290 nan 0.000 0.500 314 T N 0.492 114.992 114.554 -0.090 0.000 2.855 314 T HA 0.627 4.957 4.350 -0.034 0.000 0.281 314 T C 0.064 174.779 174.700 0.025 0.000 1.007 314 T CA -0.585 61.440 62.100 -0.125 0.000 1.009 314 T CB 1.265 70.110 68.868 -0.039 0.000 0.983 314 T HN 0.171 nan 8.240 nan 0.000 0.455 315 F N 3.141 123.100 119.950 0.016 0.000 2.484 315 F HA 0.484 4.991 4.527 -0.034 0.000 0.360 315 F C 0.798 176.599 175.800 0.001 0.000 1.101 315 F CA -1.742 56.255 58.000 -0.005 0.000 1.251 315 F CB -0.201 38.819 39.000 0.033 0.000 1.132 315 F HN 0.390 nan 8.300 nan 0.000 0.570 316 I N 0.020 120.654 120.570 0.107 0.000 2.865 316 I HA 0.999 5.148 4.170 -0.034 0.000 0.302 316 I C -0.903 175.085 176.117 -0.215 0.000 1.140 316 I CA -1.036 60.231 61.300 -0.056 0.000 1.021 316 I CB 2.266 40.069 38.000 -0.330 0.000 1.233 316 I HN 0.616 nan 8.210 nan 0.000 0.427 317 A N 2.452 125.156 122.820 -0.194 0.000 2.544 317 A HA 0.958 5.258 4.320 -0.034 0.000 0.291 317 A C -0.284 177.374 177.584 0.123 0.000 1.055 317 A CA -0.019 51.950 52.037 -0.114 0.000 0.651 317 A CB 0.712 19.695 19.000 -0.029 0.000 1.296 317 A HN 2.323 nan 8.150 nan 0.000 0.431 318 G N -0.443 108.443 108.800 0.144 0.000 2.255 318 G HA2 0.503 4.443 3.960 -0.034 0.000 0.216 318 G HA3 0.503 4.443 3.960 -0.034 0.000 0.216 318 G C -1.322 173.714 174.900 0.226 0.000 1.307 318 G CA 0.955 46.193 45.100 0.230 0.000 1.162 318 G HN 2.204 nan 8.290 nan 0.000 0.494 319 D N 0.160 120.687 120.400 0.212 0.000 3.826 319 D HA 0.340 4.960 4.640 -0.034 0.000 0.233 319 D C -0.447 175.923 176.300 0.117 0.000 1.047 319 D CA 1.912 55.998 54.000 0.144 0.000 1.052 319 D CB -1.046 39.842 40.800 0.147 0.000 0.840 319 D HN 1.319 nan 8.370 nan 0.000 0.389 320 D N 0.048 120.516 120.400 0.113 0.000 5.989 320 D HA -0.156 4.463 4.640 -0.034 0.000 0.236 320 D C -0.185 176.180 176.300 0.108 0.000 1.693 320 D CA 0.208 54.271 54.000 0.106 0.000 1.470 320 D CB 0.056 40.907 40.800 0.085 0.000 0.653 320 D HN 0.430 nan 8.370 nan 0.000 0.358 321 L N 2.502 123.793 121.223 0.112 0.000 2.490 321 L HA 0.033 4.353 4.340 -0.034 0.000 0.274 321 L C 1.391 178.317 176.870 0.093 0.000 1.201 321 L CA 0.488 55.401 54.840 0.120 0.000 0.869 321 L CB 0.335 42.462 42.059 0.113 0.000 1.123 321 L HN 0.303 nan 8.230 nan 0.000 0.484 322 K N 1.874 122.325 120.400 0.084 0.000 2.290 322 K HA 0.145 4.444 4.320 -0.034 0.000 0.250 322 K C 0.719 177.328 176.600 0.014 0.000 1.092 322 K CA -0.162 56.138 56.287 0.021 0.000 1.006 322 K CB 0.583 33.056 32.500 -0.045 0.000 1.549 322 K HN 0.735 nan 8.250 nan 0.000 0.436 323 S N 1.280 117.002 115.700 0.038 0.000 2.527 323 S HA 0.211 4.661 4.470 -0.034 0.000 0.227 323 S C 1.122 175.739 174.600 0.029 0.000 1.059 323 S CA 0.287 58.515 58.200 0.047 0.000 0.919 323 S CB 0.721 63.962 63.200 0.068 0.000 0.805 323 S HN 0.539 nan 8.310 nan 0.000 0.500 324 G N 0.805 109.620 108.800 0.024 0.000 2.506 324 G HA2 0.194 4.133 3.960 -0.034 0.000 0.188 324 G HA3 0.194 4.133 3.960 -0.034 0.000 0.188 324 G C 0.913 175.827 174.900 0.023 0.000 1.780 324 G CA 0.485 45.598 45.100 0.020 0.000 0.727 324 G HN 0.324 nan 8.290 nan 0.000 0.784 325 Q N -0.075 119.744 119.800 0.032 0.000 2.096 325 Q HA -0.120 4.200 4.340 -0.034 0.000 0.204 325 Q C 2.366 178.405 176.000 0.066 0.000 0.982 325 Q CA 2.366 58.201 55.803 0.052 0.000 0.850 325 Q CB -0.296 28.471 28.738 0.048 0.000 0.901 325 Q HN 0.444 nan 8.270 nan 0.000 0.422 326 T N 0.491 115.074 114.554 0.047 0.000 2.904 326 T HA -0.084 4.245 4.350 -0.034 0.000 0.267 326 T C 1.576 176.285 174.700 0.016 0.000 1.059 326 T CA 1.210 63.337 62.100 0.045 0.000 1.137 326 T CB -0.065 68.822 68.868 0.032 0.000 0.879 326 T HN 0.283 nan 8.240 nan 0.000 0.467 327 K N 0.654 121.046 120.400 -0.013 0.000 2.025 327 K HA -0.043 4.257 4.320 -0.034 0.000 0.207 327 K C 2.205 178.780 176.600 -0.042 0.000 1.049 327 K CA 0.958 57.203 56.287 -0.071 0.000 0.933 327 K CB -0.300 32.146 32.500 -0.090 0.000 0.714 327 K HN 0.139 nan 8.250 nan 0.000 0.438 328 L N 1.942 123.165 121.223 -0.001 0.000 2.083 328 L HA -0.156 4.164 4.340 -0.034 0.000 0.209 328 L C 2.168 179.066 176.870 0.047 0.000 1.083 328 L CA 1.835 56.682 54.840 0.012 0.000 0.752 328 L CB -0.488 41.589 42.059 0.031 0.000 0.899 328 L HN 0.133 nan 8.230 nan 0.000 0.433 329 K N -0.734 119.733 120.400 0.112 0.000 2.097 329 K HA -0.144 4.156 4.320 -0.034 0.000 0.206 329 K C 2.015 178.680 176.600 0.107 0.000 1.049 329 K CA 1.403 57.806 56.287 0.193 0.000 0.933 329 K CB -0.180 32.444 32.500 0.207 0.000 0.717 329 K HN 0.571 nan 8.250 nan 0.000 0.442 330 S N -0.603 115.123 115.700 0.043 0.000 2.595 330 S HA -0.028 4.422 4.470 -0.034 0.000 0.235 330 S C 1.547 176.153 174.600 0.009 0.000 0.974 330 S CA 0.672 58.879 58.200 0.011 0.000 0.942 330 S CB 0.278 63.454 63.200 -0.039 0.000 0.766 330 S HN 0.116 nan 8.310 nan 0.000 0.536 331 V N 0.715 120.639 119.914 0.016 0.000 2.743 331 V HA 0.210 4.309 4.120 -0.034 0.000 0.237 331 V C 2.309 178.448 176.094 0.074 0.000 1.113 331 V CA 0.544 62.857 62.300 0.021 0.000 1.141 331 V CB -0.474 31.339 31.823 -0.016 0.000 0.873 331 V HN 0.384 nan 8.190 nan 0.000 0.486 332 L N 0.610 121.861 121.223 0.046 0.000 2.027 332 L HA -0.099 4.221 4.340 -0.034 0.000 0.206 332 L C 2.765 179.678 176.870 0.072 0.000 1.074 332 L CA 1.740 56.611 54.840 0.051 0.000 0.745 332 L CB -0.804 41.084 42.059 -0.285 0.000 0.898 332 L HN 0.382 nan 8.230 nan 0.000 0.433 333 A N -0.369 122.514 122.820 0.105 0.000 1.933 333 A HA -0.284 4.016 4.320 -0.034 0.000 0.218 333 A C 2.205 179.823 177.584 0.056 0.000 1.175 333 A CA 1.903 54.006 52.037 0.110 0.000 0.628 333 A CB -0.509 18.560 19.000 0.114 0.000 0.814 333 A HN 0.399 nan 8.150 nan 0.000 0.444 334 Q N -0.735 119.110 119.800 0.075 0.000 2.084 334 Q HA -0.145 4.175 4.340 -0.034 0.000 0.202 334 Q C 1.754 177.817 176.000 0.105 0.000 0.978 334 Q CA 2.131 57.979 55.803 0.074 0.000 0.844 334 Q CB -0.580 28.202 28.738 0.073 0.000 0.898 334 Q HN 0.723 nan 8.270 nan 0.000 0.426 335 F N -0.211 119.734 119.950 -0.008 0.000 2.095 335 F HA -0.216 4.291 4.527 -0.034 0.000 0.298 335 F C 1.439 177.236 175.800 -0.006 0.000 1.104 335 F CA 1.292 59.283 58.000 -0.015 0.000 1.232 335 F CB -0.126 38.851 39.000 -0.038 0.000 0.987 335 F HN 0.101 nan 8.300 nan 0.000 0.475 336 L N 0.239 121.112 121.223 -0.583 0.000 2.017 336 L HA -0.217 4.103 4.340 -0.034 0.000 0.208 336 L C 2.449 179.156 176.870 -0.271 0.000 1.073 336 L CA 1.179 55.638 54.840 -0.635 0.000 0.745 336 L CB -0.916 40.914 42.059 -0.381 0.000 0.894 336 L HN 0.103 nan 8.230 nan 0.000 0.432 337 V N -0.386 119.467 119.914 -0.101 0.000 2.427 337 V HA -0.256 3.844 4.120 -0.034 0.000 0.248 337 V C 1.958 178.044 176.094 -0.013 0.000 1.051 337 V CA 1.721 64.016 62.300 -0.009 0.000 1.048 337 V CB -0.554 31.314 31.823 0.075 0.000 0.666 337 V HN 0.407 nan 8.190 nan 0.000 0.456 338 D N 0.600 120.999 120.400 -0.002 0.000 2.219 338 D HA -0.062 4.558 4.640 -0.034 0.000 0.205 338 D C 1.989 178.296 176.300 0.012 0.000 0.970 338 D CA 1.410 55.426 54.000 0.026 0.000 0.851 338 D CB -0.133 40.710 40.800 0.072 0.000 0.943 338 D HN 0.475 nan 8.370 nan 0.000 0.488 339 A N -0.587 122.211 122.820 -0.036 0.000 2.218 339 A HA 0.434 4.734 4.320 -0.034 0.000 0.209 339 A C 1.757 179.304 177.584 -0.061 0.000 1.168 339 A CA 0.967 52.980 52.037 -0.040 0.000 0.804 339 A CB -0.068 18.869 19.000 -0.104 0.000 0.834 339 A HN 0.222 nan 8.150 nan 0.000 0.482 340 G N -0.982 107.777 108.800 -0.069 0.000 2.141 340 G HA2 -0.203 3.737 3.960 -0.034 0.000 0.242 340 G HA3 -0.203 3.737 3.960 -0.034 0.000 0.242 340 G C 0.049 174.884 174.900 -0.108 0.000 0.982 340 G CA 0.262 45.319 45.100 -0.073 0.000 0.662 340 G HN 0.437 nan 8.290 nan 0.000 0.527 341 I N 0.245 120.734 120.570 -0.135 0.000 2.428 341 I HA 0.393 4.543 4.170 -0.034 0.000 0.296 341 I C 0.570 176.605 176.117 -0.137 0.000 0.985 341 I CA -0.671 60.536 61.300 -0.155 0.000 1.260 341 I CB 1.728 39.607 38.000 -0.202 0.000 1.389 341 I HN 0.004 nan 8.210 nan 0.000 0.484 342 K N 7.697 128.006 120.400 -0.150 0.000 2.354 342 K HA 0.415 4.715 4.320 -0.034 0.000 0.257 342 K C -2.574 174.007 176.600 -0.032 0.000 1.062 342 K CA -1.714 54.487 56.287 -0.144 0.000 0.971 342 K CB 0.966 33.287 32.500 -0.298 0.000 1.305 342 K HN 0.155 nan 8.250 nan 0.000 0.449 343 P HA -0.077 nan 4.420 nan 0.000 0.268 343 P C 0.228 177.621 177.300 0.155 0.000 1.204 343 P CA -0.206 62.958 63.100 0.106 0.000 0.768 343 P CB 1.075 32.850 31.700 0.124 0.000 0.842 344 V N -0.216 119.769 119.914 0.118 0.000 3.562 344 V HA 0.318 4.418 4.120 -0.034 0.000 0.270 344 V C 0.372 176.549 176.094 0.138 0.000 1.418 344 V CA 0.274 62.661 62.300 0.146 0.000 1.033 344 V CB 0.402 32.304 31.823 0.132 0.000 0.820 344 V HN 0.481 nan 8.190 nan 0.000 0.441 345 S N 0.242 116.029 115.700 0.145 0.000 2.614 345 S HA 0.779 5.228 4.470 -0.034 0.000 0.275 345 S C -1.243 173.368 174.600 0.019 0.000 1.161 345 S CA -0.432 57.833 58.200 0.108 0.000 0.969 345 S CB 1.432 64.741 63.200 0.181 0.000 1.059 345 S HN 0.351 nan 8.310 nan 0.000 0.482 346 I N 3.967 124.484 120.570 -0.089 0.000 2.476 346 I HA 0.498 4.648 4.170 -0.034 0.000 0.281 346 I C -0.073 175.959 176.117 -0.143 0.000 1.040 346 I CA -0.667 60.471 61.300 -0.271 0.000 1.094 346 I CB 1.568 39.259 38.000 -0.516 0.000 1.219 346 I HN 0.715 nan 8.210 nan 0.000 0.450 347 A N 4.394 127.096 122.820 -0.197 0.000 2.276 347 A HA 0.786 5.086 4.320 -0.034 0.000 0.316 347 A C -0.309 177.020 177.584 -0.424 0.000 1.229 347 A CA -0.349 51.513 52.037 -0.291 0.000 0.851 347 A CB 0.794 19.674 19.000 -0.201 0.000 1.165 347 A HN 0.569 nan 8.150 nan 0.000 0.513 348 S N 1.739 117.126 115.700 -0.521 0.000 2.707 348 S HA 0.584 5.034 4.470 -0.034 0.000 0.312 348 S C -1.346 172.998 174.600 -0.427 0.000 1.116 348 S CA -0.205 57.783 58.200 -0.354 0.000 1.078 348 S CB 0.279 63.397 63.200 -0.137 0.000 0.997 348 S HN 0.530 nan 8.310 nan 0.000 0.477 349 Y N 1.794 122.125 120.300 0.051 0.000 2.446 349 Y HA 0.576 5.097 4.550 -0.048 0.000 0.338 349 Y C 0.673 176.607 175.900 0.056 0.000 1.055 349 Y CA -1.024 57.115 58.100 0.065 0.000 1.101 349 Y CB 1.328 39.835 38.460 0.078 0.000 1.221 349 Y HN 0.511 nan 8.280 nan 0.000 0.460 350 N N 1.016 119.856 118.700 0.234 0.000 2.324 350 N HA 0.291 5.011 4.740 -0.034 0.000 0.285 350 N C -1.856 173.753 175.510 0.165 0.000 1.076 350 N CA -0.856 52.262 53.050 0.113 0.000 0.864 350 N CB 2.489 41.033 38.487 0.096 0.000 1.632 350 N HN 0.844 nan 8.380 nan 0.000 0.478 351 H N -0.377 118.733 119.070 0.068 0.000 2.894 351 H HA 0.776 5.310 4.556 -0.037 0.000 0.367 351 H C -0.895 174.455 175.328 0.035 0.000 1.144 351 H CA -0.931 55.145 56.048 0.048 0.000 1.180 351 H CB 1.664 31.436 29.762 0.018 0.000 1.758 351 H HN 0.502 nan 8.280 nan 0.000 0.541 352 L N -0.575 120.730 121.223 0.138 0.000 2.568 352 L HA 0.864 5.184 4.340 -0.034 0.000 0.257 352 L C -0.595 176.309 176.870 0.057 0.000 1.024 352 L CA -0.990 53.898 54.840 0.080 0.000 0.854 352 L CB 2.252 44.362 42.059 0.085 0.000 1.460 352 L HN 0.907 nan 8.230 nan 0.000 0.409 353 G N 0.311 109.121 108.800 0.017 0.000 3.863 353 G HA2 0.199 4.139 3.960 -0.034 0.000 0.290 353 G HA3 0.199 4.139 3.960 -0.034 0.000 0.290 353 G C -0.189 174.793 174.900 0.137 0.000 1.018 353 G CA -0.091 44.966 45.100 -0.073 0.000 0.824 353 G HN 0.762 nan 8.290 nan 0.000 0.507 354 N N -0.749 118.067 118.700 0.193 0.000 2.538 354 N HA 0.095 4.815 4.740 -0.034 0.000 0.292 354 N C 0.985 176.632 175.510 0.228 0.000 1.262 354 N CA -0.976 52.171 53.050 0.162 0.000 0.976 354 N CB 0.347 38.893 38.487 0.098 0.000 1.161 354 N HN -0.093 nan 8.380 nan 0.000 0.598 355 N N -0.999 117.786 118.700 0.142 0.000 2.309 355 N HA -0.197 4.523 4.740 -0.034 0.000 0.182 355 N C 0.405 176.013 175.510 0.163 0.000 1.018 355 N CA 0.805 53.949 53.050 0.157 0.000 0.876 355 N CB -0.055 38.487 38.487 0.093 0.000 0.972 355 N HN 0.595 nan 8.380 nan 0.000 0.434 356 D N 0.091 120.574 120.400 0.138 0.000 2.097 356 D HA -0.090 4.530 4.640 -0.034 0.000 0.195 356 D C 1.897 178.297 176.300 0.168 0.000 0.989 356 D CA 1.618 55.696 54.000 0.130 0.000 0.827 356 D CB -0.684 40.182 40.800 0.111 0.000 0.966 356 D HN 0.332 nan 8.370 nan 0.000 0.456 357 G N -1.227 107.712 108.800 0.233 0.000 2.422 357 G HA2 -0.291 3.649 3.960 -0.034 0.000 0.218 357 G HA3 -0.291 3.649 3.960 -0.034 0.000 0.218 357 G C 1.723 176.778 174.900 0.259 0.000 1.146 357 G CA 0.819 46.109 45.100 0.317 0.000 0.769 357 G HN 0.449 nan 8.290 nan 0.000 0.547 358 Y N 1.083 121.335 120.300 -0.079 0.000 2.181 358 Y HA -0.166 4.365 4.550 -0.031 0.000 0.288 358 Y C 2.825 178.582 175.900 -0.238 0.000 1.146 358 Y CA 1.529 59.298 58.100 -0.552 0.000 1.164 358 Y CB -0.012 38.177 38.460 -0.451 0.000 0.982 358 Y HN 0.282 nan 8.280 nan 0.000 0.515 359 N N 0.533 119.203 118.700 -0.049 0.000 2.142 359 N HA -0.175 4.545 4.740 -0.034 0.000 0.186 359 N C 1.588 177.090 175.510 -0.015 0.000 1.023 359 N CA 1.240 54.249 53.050 -0.067 0.000 0.852 359 N CB -0.236 38.273 38.487 0.037 0.000 0.998 359 N HN 0.425 nan 8.380 nan 0.000 0.424 360 L N 1.251 122.513 121.223 0.064 0.000 2.551 360 L HA -0.026 4.293 4.340 -0.034 0.000 0.228 360 L C 2.269 179.207 176.870 0.113 0.000 1.153 360 L CA 0.479 55.401 54.840 0.136 0.000 0.851 360 L CB -0.278 41.903 42.059 0.203 0.000 0.959 360 L HN 0.251 nan 8.230 nan 0.000 0.451 361 S N -0.313 115.394 115.700 0.012 0.000 2.515 361 S HA 0.060 4.510 4.470 -0.034 0.000 0.231 361 S C 1.072 175.650 174.600 -0.036 0.000 0.987 361 S CA 0.192 58.383 58.200 -0.016 0.000 0.936 361 S CB -0.230 62.929 63.200 -0.069 0.000 0.766 361 S HN 0.254 nan 8.310 nan 0.000 0.528 362 A N 2.557 125.360 122.820 -0.028 0.000 2.328 362 A HA 0.638 4.937 4.320 -0.034 0.000 0.284 362 A C -1.185 176.437 177.584 0.064 0.000 1.160 362 A CA -1.850 50.179 52.037 -0.012 0.000 0.818 362 A CB 0.462 19.441 19.000 -0.035 0.000 1.087 362 A HN 0.178 nan 8.150 nan 0.000 0.504 363 P HA -0.242 nan 4.420 nan 0.000 0.217 363 P C 1.144 178.520 177.300 0.126 0.000 1.162 363 P CA 1.856 65.025 63.100 0.115 0.000 0.901 363 P CB 0.130 31.863 31.700 0.055 0.000 0.793 364 K N -1.092 119.343 120.400 0.059 0.000 2.097 364 K HA -0.176 4.124 4.320 -0.034 0.000 0.206 364 K C 2.232 178.859 176.600 0.045 0.000 1.049 364 K CA 1.357 57.662 56.287 0.031 0.000 0.933 364 K CB -0.297 32.208 32.500 0.009 0.000 0.717 364 K HN 0.124 nan 8.250 nan 0.000 0.442 365 Q N -0.118 119.730 119.800 0.080 0.000 2.096 365 Q HA -0.065 4.255 4.340 -0.034 0.000 0.197 365 Q C 1.760 177.818 176.000 0.097 0.000 0.964 365 Q CA 1.073 56.934 55.803 0.097 0.000 0.838 365 Q CB -0.311 28.490 28.738 0.105 0.000 0.906 365 Q HN 0.276 nan 8.270 nan 0.000 0.444 366 F N 1.364 121.319 119.950 0.007 0.000 2.126 366 F HA -0.218 4.311 4.527 0.003 0.000 0.299 366 F C 2.172 177.958 175.800 -0.023 0.000 1.096 366 F CA 1.445 59.447 58.000 0.004 0.000 1.255 366 F CB -0.096 38.905 39.000 0.002 0.000 0.997 366 F HN -0.052 nan 8.300 nan 0.000 0.479 367 R N 0.914 121.261 120.500 -0.256 0.000 2.103 367 R HA -0.165 4.155 4.340 -0.034 0.000 0.242 367 R C 2.238 178.269 176.300 -0.448 0.000 1.142 367 R CA 2.109 57.968 56.100 -0.401 0.000 0.960 367 R CB -1.238 28.931 30.300 -0.218 0.000 0.858 367 R HN 0.356 nan 8.270 nan 0.000 0.439 368 S N 0.185 115.714 115.700 -0.285 0.000 2.359 368 S HA -0.175 4.275 4.470 -0.034 0.000 0.224 368 S C 1.797 176.316 174.600 -0.136 0.000 1.035 368 S CA 1.764 59.872 58.200 -0.153 0.000 1.018 368 S CB -0.314 62.952 63.200 0.109 0.000 0.876 368 S HN 0.402 nan 8.310 nan 0.000 0.448 369 K N 1.250 121.532 120.400 -0.197 0.000 2.217 369 K HA -0.004 4.295 4.320 -0.034 0.000 0.202 369 K C 2.114 178.535 176.600 -0.298 0.000 1.051 369 K CA 0.988 57.171 56.287 -0.172 0.000 0.952 369 K CB -0.060 32.386 32.500 -0.090 0.000 0.736 369 K HN 0.389 nan 8.250 nan 0.000 0.453 370 E N 0.430 120.273 120.200 -0.595 0.000 2.110 370 E HA -0.190 4.140 4.350 -0.034 0.000 0.193 370 E C 1.745 178.161 176.600 -0.307 0.000 0.988 370 E CA 1.324 57.388 56.400 -0.560 0.000 0.804 370 E CB -0.022 29.204 29.700 -0.790 0.000 0.745 370 E HN 0.360 nan 8.360 nan 0.000 0.458 371 I N 0.866 121.277 120.570 -0.265 0.000 2.202 371 I HA -0.258 3.892 4.170 -0.034 0.000 0.242 371 I C 2.714 178.789 176.117 -0.070 0.000 1.091 371 I CA 1.266 62.474 61.300 -0.153 0.000 1.368 371 I CB -0.380 37.537 38.000 -0.138 0.000 1.058 371 I HN 0.184 nan 8.210 nan 0.000 0.410 372 S N 1.033 116.709 115.700 -0.040 0.000 2.368 372 S HA -0.178 4.271 4.470 -0.034 0.000 0.224 372 S C 1.951 176.545 174.600 -0.009 0.000 1.029 372 S CA 0.941 59.144 58.200 0.005 0.000 0.988 372 S CB -0.404 62.815 63.200 0.032 0.000 0.838 372 S HN 0.388 nan 8.310 nan 0.000 0.462 373 K N 1.111 121.484 120.400 -0.046 0.000 2.217 373 K HA 0.161 4.461 4.320 -0.034 0.000 0.202 373 K C 2.329 178.900 176.600 -0.048 0.000 1.051 373 K CA 1.156 57.422 56.287 -0.035 0.000 0.952 373 K CB -0.161 32.307 32.500 -0.053 0.000 0.736 373 K HN 0.345 nan 8.250 nan 0.000 0.453 374 S N 0.648 116.271 115.700 -0.128 0.000 2.414 374 S HA -0.084 4.365 4.470 -0.034 0.000 0.227 374 S C 1.966 176.594 174.600 0.048 0.000 1.022 374 S CA 1.256 59.347 58.200 -0.181 0.000 0.958 374 S CB -0.009 63.046 63.200 -0.243 0.000 0.797 374 S HN 0.403 nan 8.310 nan 0.000 0.493 375 S N 1.167 116.879 115.700 0.020 0.000 2.515 375 S HA 0.067 4.517 4.470 -0.034 0.000 0.231 375 S C 1.662 176.289 174.600 0.044 0.000 0.987 375 S CA 0.446 58.666 58.200 0.032 0.000 0.936 375 S CB -0.497 62.713 63.200 0.017 0.000 0.766 375 S HN 0.237 nan 8.310 nan 0.000 0.528 376 V N 2.567 122.519 119.914 0.063 0.000 2.828 376 V HA -0.052 4.048 4.120 -0.034 0.000 0.260 376 V C 1.782 177.895 176.094 0.031 0.000 1.101 376 V CA 1.828 64.157 62.300 0.048 0.000 1.123 376 V CB -0.600 31.256 31.823 0.055 0.000 0.704 376 V HN 0.824 nan 8.190 nan 0.000 0.493 377 I N -4.669 115.915 120.570 0.023 0.000 4.057 377 I HA 0.197 4.347 4.170 -0.034 0.000 0.334 377 I C 1.578 177.657 176.117 -0.062 0.000 1.308 377 I CA 0.252 61.529 61.300 -0.037 0.000 1.125 377 I CB -0.337 37.588 38.000 -0.125 0.000 1.034 377 I HN 0.038 nan 8.210 nan 0.000 0.401 378 D N 3.199 123.576 120.400 -0.038 0.000 2.104 378 D HA -0.234 4.386 4.640 -0.034 0.000 0.194 378 D C 1.707 177.969 176.300 -0.064 0.000 0.994 378 D CA 2.134 56.097 54.000 -0.061 0.000 0.830 378 D CB -0.288 40.485 40.800 -0.046 0.000 0.959 378 D HN 0.648 nan 8.370 nan 0.000 0.452 379 D N 1.026 121.408 120.400 -0.031 0.000 2.144 379 D HA -0.137 4.482 4.640 -0.034 0.000 0.200 379 D C 2.354 178.647 176.300 -0.011 0.000 0.978 379 D CA 0.415 54.411 54.000 -0.006 0.000 0.833 379 D CB -0.679 40.136 40.800 0.025 0.000 0.961 379 D HN 0.290 nan 8.370 nan 0.000 0.470 380 I N 0.679 121.234 120.570 -0.024 0.000 2.179 380 I HA -0.237 3.913 4.170 -0.034 0.000 0.242 380 I C 2.369 178.454 176.117 -0.053 0.000 1.088 380 I CA 0.723 62.011 61.300 -0.020 0.000 1.357 380 I CB -0.208 37.781 38.000 -0.018 0.000 1.051 380 I HN -0.044 nan 8.210 nan 0.000 0.409 381 I N 1.152 121.626 120.570 -0.160 0.000 2.394 381 I HA -0.179 3.971 4.170 -0.034 0.000 0.251 381 I C 2.703 178.705 176.117 -0.191 0.000 1.136 381 I CA 1.362 62.441 61.300 -0.368 0.000 1.425 381 I CB -1.611 36.049 38.000 -0.567 0.000 1.079 381 I HN 0.161 nan 8.210 nan 0.000 0.425 382 A N 0.676 123.444 122.820 -0.087 0.000 2.119 382 A HA -0.076 4.224 4.320 -0.034 0.000 0.216 382 A C 2.331 179.941 177.584 0.043 0.000 1.152 382 A CA 1.245 53.276 52.037 -0.010 0.000 0.708 382 A CB -0.528 18.470 19.000 -0.002 0.000 0.805 382 A HN 0.521 nan 8.150 nan 0.000 0.460 383 S N -0.541 115.185 115.700 0.043 0.000 2.562 383 S HA 0.030 4.480 4.470 -0.034 0.000 0.221 383 S C 0.518 175.165 174.600 0.078 0.000 0.975 383 S CA 0.324 58.559 58.200 0.058 0.000 0.918 383 S CB -0.196 63.031 63.200 0.045 0.000 0.772 383 S HN 0.406 nan 8.310 nan 0.000 0.531 384 N N 1.875 120.651 118.700 0.127 0.000 2.617 384 N HA 0.184 4.904 4.740 -0.034 0.000 0.263 384 N C -1.046 174.567 175.510 0.172 0.000 1.074 384 N CA -0.227 52.908 53.050 0.142 0.000 0.841 384 N CB 1.734 40.317 38.487 0.161 0.000 1.221 384 N HN 0.302 nan 8.380 nan 0.000 0.529 385 D N 2.936 123.407 120.400 0.118 0.000 2.328 385 D HA 0.069 4.689 4.640 -0.034 0.000 0.221 385 D C 1.428 177.763 176.300 0.058 0.000 1.072 385 D CA 0.051 54.116 54.000 0.107 0.000 0.850 385 D CB 0.253 41.114 40.800 0.102 0.000 0.922 385 D HN 0.510 nan 8.370 nan 0.000 0.516 386 I N -0.197 120.390 120.570 0.029 0.000 2.400 386 I HA -0.096 4.054 4.170 -0.034 0.000 0.248 386 I C 2.189 178.261 176.117 -0.076 0.000 1.109 386 I CA 0.597 61.890 61.300 -0.012 0.000 1.425 386 I CB 0.065 38.055 38.000 -0.018 0.000 1.094 386 I HN -0.006 nan 8.210 nan 0.000 0.425 387 L N -0.861 120.277 121.223 -0.142 0.000 2.168 387 L HA -0.021 4.299 4.340 -0.034 0.000 0.203 387 L C 0.144 176.720 176.870 -0.490 0.000 1.078 387 L CA 0.654 55.268 54.840 -0.377 0.000 0.780 387 L CB -0.213 41.496 42.059 -0.584 0.000 0.939 387 L HN 0.117 nan 8.230 nan 0.000 0.451 388 Y N 1.432 121.730 120.300 -0.003 0.000 2.417 388 Y HA 0.328 4.858 4.550 -0.033 0.000 0.336 388 Y C -0.155 175.750 175.900 0.009 0.000 0.961 388 Y CA -1.059 57.042 58.100 0.002 0.000 1.215 388 Y CB 0.520 38.981 38.460 0.001 0.000 1.120 388 Y HN 0.206 nan 8.280 nan 0.000 0.499 389 N N -1.107 117.659 118.700 0.111 0.000 3.106 389 N HA 0.226 4.946 4.740 -0.034 0.000 0.253 389 N C -0.364 175.180 175.510 0.057 0.000 1.506 389 N CA -0.824 52.271 53.050 0.076 0.000 0.876 389 N CB 0.697 39.211 38.487 0.045 0.000 1.452 389 N HN 0.128 nan 8.380 nan 0.000 0.542 390 D N -0.256 120.169 120.400 0.043 0.000 2.178 390 D HA -0.152 4.468 4.640 -0.034 0.000 0.201 390 D C 1.133 177.447 176.300 0.025 0.000 0.980 390 D CA 1.262 55.282 54.000 0.034 0.000 0.842 390 D CB 0.123 40.939 40.800 0.026 0.000 0.948 390 D HN 0.610 nan 8.370 nan 0.000 0.472 391 K N 0.479 120.889 120.400 0.017 0.000 2.062 391 K HA -0.018 4.282 4.320 -0.034 0.000 0.205 391 K C 1.947 178.549 176.600 0.005 0.000 1.051 391 K CA 0.631 56.923 56.287 0.009 0.000 0.941 391 K CB 0.109 32.611 32.500 0.003 0.000 0.719 391 K HN 0.100 nan 8.250 nan 0.000 0.440 392 L N -0.171 121.052 121.223 -0.001 0.000 2.585 392 L HA 0.282 4.602 4.340 -0.034 0.000 0.226 392 L C 0.375 177.248 176.870 0.004 0.000 1.113 392 L CA 0.026 54.857 54.840 -0.015 0.000 0.876 392 L CB 0.597 42.624 42.059 -0.053 0.000 1.072 392 L HN 0.382 nan 8.230 nan 0.000 0.468 393 G N 1.892 110.712 108.800 0.033 0.000 3.055 393 G HA2 -0.162 3.778 3.960 -0.034 0.000 0.686 393 G HA3 -0.162 3.778 3.960 -0.034 0.000 0.686 393 G C -0.057 174.921 174.900 0.130 0.000 1.087 393 G CA -0.250 44.890 45.100 0.068 0.000 0.779 393 G HN 0.381 nan 8.290 nan 0.000 0.599 394 K N 0.435 120.927 120.400 0.153 0.000 2.537 394 K HA 0.402 4.702 4.320 -0.034 0.000 0.206 394 K C 0.440 177.133 176.600 0.155 0.000 1.041 394 K CA -0.464 55.964 56.287 0.236 0.000 1.090 394 K CB 1.145 33.733 32.500 0.147 0.000 0.833 394 K HN 0.502 nan 8.250 nan 0.000 0.493 395 K N 1.200 121.689 120.400 0.148 0.000 2.267 395 K HA 0.382 4.682 4.320 -0.034 0.000 0.246 395 K C -1.334 175.316 176.600 0.084 0.000 0.954 395 K CA -0.790 55.533 56.287 0.061 0.000 0.824 395 K CB 2.113 34.644 32.500 0.051 0.000 1.167 395 K HN -0.037 nan 8.250 nan 0.000 0.431 396 V N 3.226 123.142 119.914 0.003 0.000 2.376 396 V HA 0.138 4.238 4.120 -0.034 0.000 0.287 396 V C -1.119 174.989 176.094 0.023 0.000 1.015 396 V CA -0.961 61.348 62.300 0.016 0.000 0.834 396 V CB 1.383 33.152 31.823 -0.089 0.000 1.001 396 V HN 0.845 nan 8.190 nan 0.000 0.428 397 D N 3.050 123.483 120.400 0.054 0.000 2.458 397 D HA 0.236 4.856 4.640 -0.034 0.000 0.243 397 D C -0.133 176.219 176.300 0.087 0.000 1.146 397 D CA 0.880 54.919 54.000 0.064 0.000 0.877 397 D CB 0.209 41.047 40.800 0.063 0.000 1.176 397 D HN 0.697 nan 8.370 nan 0.000 0.461 398 H N 0.949 119.992 119.070 -0.045 0.000 2.966 398 H HA 0.455 4.995 4.556 -0.026 0.000 0.347 398 H C -1.217 174.065 175.328 -0.078 0.000 1.048 398 H CA -1.075 54.924 56.048 -0.080 0.000 1.295 398 H CB 0.760 30.475 29.762 -0.079 0.000 1.744 398 H HN 0.643 nan 8.280 nan 0.000 0.513 399 C N 5.438 124.703 119.300 -0.060 0.000 2.563 399 C HA 0.708 5.147 4.460 -0.034 0.000 0.314 399 C C -0.941 173.903 174.990 -0.244 0.000 1.199 399 C CA -0.854 58.074 59.018 -0.150 0.000 1.564 399 C CB 0.625 28.315 27.740 -0.084 0.000 2.173 399 C HN 0.580 nan 8.230 nan 0.000 0.485 400 I N 3.370 123.841 120.570 -0.165 0.000 2.436 400 I HA 0.625 4.775 4.170 -0.034 0.000 0.289 400 I C -0.449 175.751 176.117 0.138 0.000 1.010 400 I CA -0.494 60.754 61.300 -0.087 0.000 1.098 400 I CB 1.595 39.525 38.000 -0.117 0.000 1.266 400 I HN 0.670 nan 8.210 nan 0.000 0.434 401 V N 7.392 127.384 119.914 0.129 0.000 2.638 401 V HA 0.563 4.663 4.120 -0.034 0.000 0.306 401 V C -0.282 175.928 176.094 0.194 0.000 1.052 401 V CA -0.481 61.925 62.300 0.177 0.000 0.885 401 V CB 2.954 34.932 31.823 0.258 0.000 0.999 401 V HN 0.471 nan 8.190 nan 0.000 0.424 402 I N 4.948 125.579 120.570 0.102 0.000 2.468 402 I HA 0.516 4.666 4.170 -0.034 0.000 0.285 402 I C -0.594 175.541 176.117 0.030 0.000 1.039 402 I CA -0.633 60.754 61.300 0.145 0.000 1.074 402 I CB 1.913 40.097 38.000 0.308 0.000 1.228 402 I HN 0.365 nan 8.210 nan 0.000 0.436 403 K N 5.159 125.625 120.400 0.111 0.000 2.316 403 K HA 0.373 4.673 4.320 -0.034 0.000 0.251 403 K C -1.213 175.504 176.600 0.195 0.000 0.934 403 K CA -0.853 55.497 56.287 0.106 0.000 0.802 403 K CB 2.739 35.281 32.500 0.071 0.000 1.171 403 K HN 0.475 nan 8.250 nan 0.000 0.426 404 Y N 3.443 123.786 120.300 0.071 0.000 2.404 404 Y HA 0.220 4.746 4.550 -0.041 0.000 0.344 404 Y C -0.544 175.404 175.900 0.081 0.000 0.995 404 Y CA -0.240 57.922 58.100 0.103 0.000 1.201 404 Y CB 0.630 39.171 38.460 0.136 0.000 1.151 404 Y HN 0.301 nan 8.280 nan 0.000 0.517 405 M N 7.606 126.973 119.600 -0.389 0.000 2.031 405 M HA 0.156 4.616 4.480 -0.034 0.000 0.273 405 M C 0.650 176.664 176.300 -0.477 0.000 0.904 405 M CA -0.519 54.568 55.300 -0.356 0.000 0.963 405 M CB 1.626 34.146 32.600 -0.134 0.000 1.707 405 M HN 0.792 nan 8.290 nan 0.000 0.427 406 K N 2.604 122.584 120.400 -0.701 0.000 2.089 406 K HA -0.142 4.158 4.320 -0.034 0.000 0.210 406 K C -0.966 175.515 176.600 -0.199 0.000 1.048 406 K CA 2.017 58.019 56.287 -0.475 0.000 0.926 406 K CB -0.285 32.026 32.500 -0.314 0.000 0.714 406 K HN 0.319 nan 8.250 nan 0.000 0.448 407 P HA -0.167 nan 4.420 nan 0.000 0.217 407 P C 1.149 178.429 177.300 -0.033 0.000 1.148 407 P CA 1.382 64.440 63.100 -0.069 0.000 0.828 407 P CB -0.039 31.627 31.700 -0.056 0.000 0.783 408 V N -4.890 115.014 119.914 -0.017 0.000 3.461 408 V HA 0.230 4.330 4.120 -0.034 0.000 0.267 408 V C 1.437 177.534 176.094 0.006 0.000 1.186 408 V CA 0.742 63.055 62.300 0.021 0.000 1.154 408 V CB -1.451 30.418 31.823 0.077 0.000 0.802 408 V HN 0.310 nan 8.190 nan 0.000 0.474 409 G N 1.154 109.945 108.800 -0.015 0.000 2.634 409 G HA2 -0.513 3.427 3.960 -0.034 0.000 0.309 409 G HA3 -0.513 3.427 3.960 -0.034 0.000 0.309 409 G C 0.522 175.434 174.900 0.020 0.000 1.265 409 G CA 0.998 46.098 45.100 0.000 0.000 0.998 409 G HN 0.609 nan 8.290 nan 0.000 0.551 410 D N 0.524 120.937 120.400 0.020 0.000 2.347 410 D HA 0.189 4.809 4.640 -0.034 0.000 0.215 410 D C 1.578 177.890 176.300 0.019 0.000 0.976 410 D CA 1.152 55.167 54.000 0.025 0.000 0.884 410 D CB -0.166 40.646 40.800 0.019 0.000 0.915 410 D HN 0.289 nan 8.370 nan 0.000 0.526 411 S N 1.324 117.031 115.700 0.013 0.000 3.919 411 S HA 0.028 4.478 4.470 -0.034 0.000 0.245 411 S C 0.042 174.628 174.600 -0.022 0.000 1.344 411 S CA -0.481 57.721 58.200 0.004 0.000 0.896 411 S CB 0.173 63.381 63.200 0.013 0.000 1.557 411 S HN 0.143 nan 8.310 nan 0.000 0.468 412 K N 2.623 123.006 120.400 -0.029 0.000 2.489 412 K HA 0.062 4.362 4.320 -0.034 0.000 0.278 412 K C -0.707 175.797 176.600 -0.161 0.000 1.000 412 K CA 0.218 56.461 56.287 -0.074 0.000 1.012 412 K CB 0.426 32.908 32.500 -0.030 0.000 0.903 412 K HN 0.211 nan 8.250 nan 0.000 0.485 413 V N 3.517 123.230 119.914 -0.335 0.000 2.370 413 V HA 0.405 4.505 4.120 -0.034 0.000 0.283 413 V C -0.086 175.780 176.094 -0.381 0.000 1.023 413 V CA -0.870 61.155 62.300 -0.459 0.000 0.857 413 V CB 1.075 32.477 31.823 -0.702 0.000 0.985 413 V HN 0.842 nan 8.190 nan 0.000 0.443 414 A N 7.029 129.696 122.820 -0.255 0.000 2.288 414 A HA 0.910 5.210 4.320 -0.034 0.000 0.320 414 A C -0.476 177.066 177.584 -0.069 0.000 1.217 414 A CA -0.535 51.439 52.037 -0.105 0.000 0.840 414 A CB 0.764 19.737 19.000 -0.045 0.000 1.179 414 A HN 0.814 nan 8.150 nan 0.000 0.504 415 M N 2.606 122.251 119.600 0.074 0.000 2.197 415 M HA 0.390 4.850 4.480 -0.034 0.000 0.301 415 M C -1.612 174.825 176.300 0.228 0.000 0.987 415 M CA -0.362 55.043 55.300 0.175 0.000 0.921 415 M CB 2.046 34.798 32.600 0.252 0.000 1.569 415 M HN 0.681 nan 8.290 nan 0.000 0.431 416 D N 1.342 121.859 120.400 0.196 0.000 2.547 416 D HA 0.488 5.108 4.640 -0.034 0.000 0.231 416 D C -1.261 175.154 176.300 0.191 0.000 1.099 416 D CA -0.529 53.559 54.000 0.147 0.000 0.901 416 D CB 1.989 42.899 40.800 0.182 0.000 1.478 416 D HN 0.494 nan 8.370 nan 0.000 0.471 417 E N 0.858 121.113 120.200 0.092 0.000 2.260 417 E HA 0.285 4.614 4.350 -0.034 0.000 0.266 417 E C -1.466 175.175 176.600 0.068 0.000 0.887 417 E CA -0.727 55.767 56.400 0.157 0.000 0.777 417 E CB 0.939 30.717 29.700 0.130 0.000 1.205 417 E HN 0.360 nan 8.360 nan 0.000 0.414 418 Y N 3.309 123.680 120.300 0.119 0.000 2.369 418 Y HA 0.255 4.788 4.550 -0.029 0.000 0.337 418 Y C -0.886 175.125 175.900 0.185 0.000 0.961 418 Y CA -0.607 57.561 58.100 0.113 0.000 1.186 418 Y CB 0.898 39.403 38.460 0.076 0.000 1.139 418 Y HN 0.455 nan 8.280 nan 0.000 0.494 419 Y N 2.668 123.043 120.300 0.125 0.000 2.342 419 Y HA 0.607 5.137 4.550 -0.033 0.000 0.338 419 Y C -0.319 175.656 175.900 0.125 0.000 0.965 419 Y CA -0.322 57.845 58.100 0.111 0.000 1.159 419 Y CB 0.780 39.278 38.460 0.062 0.000 1.157 419 Y HN 0.557 nan 8.280 nan 0.000 0.486 420 S N 4.138 119.738 115.700 -0.167 0.000 2.599 420 S HA 0.396 4.846 4.470 -0.034 0.000 0.294 420 S C -1.240 173.211 174.600 -0.247 0.000 1.094 420 S CA -1.099 57.011 58.200 -0.151 0.000 0.931 420 S CB 1.782 64.938 63.200 -0.073 0.000 1.093 420 S HN 0.652 nan 8.310 nan 0.000 0.488 421 E N 1.035 121.104 120.200 -0.219 0.000 2.216 421 E HA 0.518 4.848 4.350 -0.034 0.000 0.279 421 E C -0.827 175.609 176.600 -0.273 0.000 0.997 421 E CA -0.352 55.848 56.400 -0.333 0.000 0.817 421 E CB 0.986 30.522 29.700 -0.273 0.000 1.096 421 E HN 0.352 nan 8.360 nan 0.000 0.393 422 L N 2.145 123.183 121.223 -0.308 0.000 2.260 422 L HA 0.504 4.824 4.340 -0.034 0.000 0.265 422 L C 0.348 177.105 176.870 -0.190 0.000 1.015 422 L CA -1.384 53.335 54.840 -0.201 0.000 0.826 422 L CB 1.052 43.019 42.059 -0.154 0.000 1.373 422 L HN 0.545 nan 8.230 nan 0.000 0.450 423 M N 0.019 119.540 119.600 -0.130 0.000 2.232 423 M HA 0.272 4.732 4.480 -0.034 0.000 0.321 423 M C 0.200 176.439 176.300 -0.102 0.000 1.101 423 M CA -0.015 55.221 55.300 -0.106 0.000 1.181 423 M CB 0.146 32.702 32.600 -0.074 0.000 1.432 423 M HN 0.446 nan 8.290 nan 0.000 0.457 424 L N 1.287 122.460 121.223 -0.083 0.000 3.678 424 L HA -0.278 4.042 4.340 -0.034 0.000 0.425 424 L C 0.952 177.780 176.870 -0.071 0.000 1.240 424 L CA 0.746 55.548 54.840 -0.063 0.000 0.876 424 L CB -2.760 39.273 42.059 -0.042 0.000 1.766 424 L HN 1.349 nan 8.230 nan 0.000 0.917 425 G N -1.850 106.883 108.800 -0.112 0.000 2.179 425 G HA2 -0.192 3.748 3.960 -0.034 0.000 0.260 425 G HA3 -0.192 3.748 3.960 -0.034 0.000 0.260 425 G C 0.606 175.387 174.900 -0.198 0.000 0.977 425 G CA 0.211 45.237 45.100 -0.123 0.000 0.641 425 G HN 1.077 nan 8.290 nan 0.000 0.533 426 G N -1.150 107.518 108.800 -0.221 0.000 2.616 426 G HA2 0.585 4.525 3.960 -0.034 0.000 0.268 426 G HA3 0.585 4.525 3.960 -0.034 0.000 0.268 426 G C -0.348 174.259 174.900 -0.487 0.000 1.213 426 G CA -0.191 44.793 45.100 -0.193 0.000 0.926 426 G HN 0.492 nan 8.290 nan 0.000 0.523 427 H N -0.904 118.116 119.070 -0.084 0.000 3.008 427 H HA 0.337 4.874 4.556 -0.033 0.000 0.354 427 H C -0.978 174.287 175.328 -0.105 0.000 1.252 427 H CA -0.664 55.273 56.048 -0.184 0.000 1.117 427 H CB 2.388 31.989 29.762 -0.267 0.000 1.857 427 H HN 0.574 nan 8.280 nan 0.000 0.547 428 N N 1.118 119.814 118.700 -0.006 0.000 2.296 428 N HA 0.225 4.945 4.740 -0.034 0.000 0.294 428 N C -1.194 174.387 175.510 0.118 0.000 1.033 428 N CA -0.413 52.665 53.050 0.046 0.000 0.839 428 N CB 2.651 41.139 38.487 0.002 0.000 1.395 428 N HN 0.530 nan 8.380 nan 0.000 0.479 429 R N 5.054 125.670 120.500 0.194 0.000 2.435 429 R HA 0.424 4.744 4.340 -0.034 0.000 0.308 429 R C -1.161 175.262 176.300 0.206 0.000 0.975 429 R CA -0.474 55.797 56.100 0.285 0.000 0.867 429 R CB 0.742 31.238 30.300 0.327 0.000 1.171 429 R HN 0.556 nan 8.270 nan 0.000 0.470 430 I N 3.228 123.934 120.570 0.226 0.000 2.355 430 I HA 0.246 4.396 4.170 -0.034 0.000 0.288 430 I C -0.340 175.918 176.117 0.236 0.000 0.999 430 I CA -0.462 60.951 61.300 0.189 0.000 1.163 430 I CB 2.043 40.124 38.000 0.135 0.000 1.316 430 I HN 0.476 nan 8.210 nan 0.000 0.454 431 S N 7.238 123.048 115.700 0.183 0.000 2.451 431 S HA 0.700 5.150 4.470 -0.034 0.000 0.301 431 S C -0.315 174.390 174.600 0.176 0.000 1.116 431 S CA -0.519 57.793 58.200 0.186 0.000 1.093 431 S CB 1.469 64.755 63.200 0.144 0.000 1.017 431 S HN 0.355 nan 8.310 nan 0.000 0.482 432 I N 2.670 123.361 120.570 0.202 0.000 2.647 432 I HA 0.381 4.530 4.170 -0.034 0.000 0.295 432 I C -0.530 175.709 176.117 0.204 0.000 1.078 432 I CA -0.653 60.757 61.300 0.183 0.000 1.048 432 I CB 2.030 40.135 38.000 0.174 0.000 1.239 432 I HN 0.610 nan 8.210 nan 0.000 0.421 433 H N 5.549 124.673 119.070 0.089 0.000 2.727 433 H HA 0.402 4.937 4.556 -0.034 0.000 0.330 433 H C -1.785 173.578 175.328 0.058 0.000 0.986 433 H CA -0.502 55.592 56.048 0.076 0.000 1.251 433 H CB 1.630 31.431 29.762 0.065 0.000 1.493 433 H HN 0.550 nan 8.280 nan 0.000 0.515 434 N N 5.069 123.629 118.700 -0.232 0.000 2.483 434 N HA 0.142 4.862 4.740 -0.034 0.000 0.267 434 N C -1.350 174.034 175.510 -0.210 0.000 0.998 434 N CA -0.440 52.536 53.050 -0.123 0.000 0.918 434 N CB 1.552 40.014 38.487 -0.041 0.000 1.215 434 N HN 0.253 nan 8.380 nan 0.000 0.500 435 V N 3.780 123.625 119.914 -0.115 0.000 2.372 435 V HA 0.236 4.336 4.120 -0.034 0.000 0.261 435 V C 0.037 176.111 176.094 -0.034 0.000 1.055 435 V CA -0.615 61.635 62.300 -0.083 0.000 0.930 435 V CB 0.064 31.898 31.823 0.019 0.000 1.031 435 V HN 0.684 nan 8.190 nan 0.000 0.479 436 C N 4.874 124.146 119.300 -0.046 0.000 2.223 436 C HA 0.325 4.765 4.460 -0.034 0.000 0.324 436 C C 0.859 175.850 174.990 0.002 0.000 1.196 436 C CA -0.997 58.014 59.018 -0.012 0.000 1.628 436 C CB -0.602 27.131 27.740 -0.013 0.000 2.229 436 C HN 0.812 nan 8.230 nan 0.000 0.486 437 E N 2.068 122.280 120.200 0.020 0.000 1.791 437 E HA -0.010 4.319 4.350 -0.034 0.000 0.263 437 E C 0.336 176.955 176.600 0.031 0.000 1.213 437 E CA -0.103 56.312 56.400 0.025 0.000 0.991 437 E CB 0.309 30.029 29.700 0.034 0.000 1.068 437 E HN 0.546 nan 8.360 nan 0.000 0.417 438 D N 1.126 121.543 120.400 0.028 0.000 2.157 438 D HA -0.197 4.423 4.640 -0.034 0.000 0.191 438 D C 1.545 177.869 176.300 0.041 0.000 1.004 438 D CA 1.517 55.539 54.000 0.036 0.000 0.854 438 D CB 0.075 40.898 40.800 0.038 0.000 0.936 438 D HN 0.204 nan 8.370 nan 0.000 0.446 439 S N -0.568 115.152 115.700 0.033 0.000 2.383 439 S HA 0.001 4.451 4.470 -0.034 0.000 0.227 439 S C 2.073 176.697 174.600 0.040 0.000 1.026 439 S CA 0.323 58.541 58.200 0.031 0.000 0.981 439 S CB -0.012 63.197 63.200 0.015 0.000 0.818 439 S HN 0.264 nan 8.310 nan 0.000 0.472 440 L N 0.663 121.911 121.223 0.041 0.000 2.291 440 L HA 0.044 4.364 4.340 -0.034 0.000 0.214 440 L C 1.961 178.877 176.870 0.078 0.000 1.120 440 L CA 0.654 55.527 54.840 0.055 0.000 0.799 440 L CB -0.356 41.734 42.059 0.051 0.000 0.925 440 L HN 0.288 nan 8.230 nan 0.000 0.446 441 L N -0.706 120.560 121.223 0.072 0.000 2.127 441 L HA -0.020 4.300 4.340 -0.034 0.000 0.203 441 L C 2.784 179.711 176.870 0.095 0.000 1.080 441 L CA 0.883 55.774 54.840 0.084 0.000 0.768 441 L CB -0.415 41.684 42.059 0.067 0.000 0.924 441 L HN 0.174 nan 8.230 nan 0.000 0.444 442 A N -0.622 122.246 122.820 0.080 0.000 1.929 442 A HA -0.143 4.157 4.320 -0.034 0.000 0.216 442 A C 2.303 179.935 177.584 0.079 0.000 1.176 442 A CA 1.945 54.032 52.037 0.082 0.000 0.628 442 A CB -0.797 18.241 19.000 0.064 0.000 0.816 442 A HN 0.324 nan 8.150 nan 0.000 0.444 443 T N 0.989 115.587 114.554 0.072 0.000 2.665 443 T HA -0.103 4.226 4.350 -0.034 0.000 0.268 443 T C -0.286 174.469 174.700 0.091 0.000 1.035 443 T CA 1.873 64.017 62.100 0.074 0.000 1.151 443 T CB -1.085 67.827 68.868 0.072 0.000 0.862 443 T HN 0.502 nan 8.240 nan 0.000 0.438 444 P HA 0.050 nan 4.420 nan 0.000 0.223 444 P C 1.446 178.793 177.300 0.079 0.000 1.151 444 P CA 0.836 64.009 63.100 0.122 0.000 0.787 444 P CB -0.241 31.561 31.700 0.169 0.000 0.788 445 L N -1.111 120.174 121.223 0.104 0.000 2.131 445 L HA -0.042 4.278 4.340 -0.034 0.000 0.206 445 L C 2.749 179.552 176.870 -0.110 0.000 1.087 445 L CA 0.963 55.858 54.840 0.091 0.000 0.767 445 L CB -0.760 41.449 42.059 0.249 0.000 0.917 445 L HN -0.144 nan 8.230 nan 0.000 0.441 446 I N 0.209 120.761 120.570 -0.031 0.000 2.226 446 I HA -0.315 3.835 4.170 -0.034 0.000 0.245 446 I C 2.478 178.550 176.117 -0.076 0.000 1.100 446 I CA 1.523 62.790 61.300 -0.055 0.000 1.374 446 I CB -0.150 37.846 38.000 -0.006 0.000 1.057 446 I HN 0.165 nan 8.210 nan 0.000 0.413 447 I N 0.625 121.187 120.570 -0.013 0.000 2.127 447 I HA -0.338 3.812 4.170 -0.034 0.000 0.241 447 I C 2.139 178.197 176.117 -0.098 0.000 1.075 447 I CA 1.494 62.823 61.300 0.049 0.000 1.334 447 I CB -0.529 37.456 38.000 -0.026 0.000 1.040 447 I HN 0.248 nan 8.210 nan 0.000 0.405 448 D N 0.855 121.086 120.400 -0.281 0.000 2.104 448 D HA -0.168 4.451 4.640 -0.034 0.000 0.194 448 D C 2.316 178.124 176.300 -0.821 0.000 0.994 448 D CA 1.297 54.956 54.000 -0.569 0.000 0.830 448 D CB -0.367 39.942 40.800 -0.819 0.000 0.959 448 D HN 0.288 nan 8.370 nan 0.000 0.452 449 L N 0.162 120.904 121.223 -0.802 0.000 2.083 449 L HA -0.157 4.163 4.340 -0.034 0.000 0.209 449 L C 2.529 179.232 176.870 -0.278 0.000 1.083 449 L CA 0.693 55.192 54.840 -0.568 0.000 0.752 449 L CB -0.267 41.597 42.059 -0.325 0.000 0.899 449 L HN 0.057 nan 8.230 nan 0.000 0.433 450 L N -1.526 119.582 121.223 -0.191 0.000 2.044 450 L HA -0.163 4.157 4.340 -0.034 0.000 0.205 450 L C 2.502 179.360 176.870 -0.020 0.000 1.075 450 L CA 0.705 55.468 54.840 -0.128 0.000 0.747 450 L CB -0.579 41.331 42.059 -0.248 0.000 0.903 450 L HN 0.022 nan 8.230 nan 0.000 0.435 451 V N -0.477 119.468 119.914 0.052 0.000 2.295 451 V HA -0.321 3.779 4.120 -0.034 0.000 0.246 451 V C 2.460 178.610 176.094 0.094 0.000 1.049 451 V CA 1.926 64.294 62.300 0.113 0.000 1.024 451 V CB -0.384 31.471 31.823 0.053 0.000 0.648 451 V HN 0.370 nan 8.190 nan 0.000 0.447 452 M N -0.235 119.355 119.600 -0.018 0.000 2.254 452 M HA -0.102 4.358 4.480 -0.034 0.000 0.265 452 M C 2.088 178.478 176.300 0.150 0.000 1.066 452 M CA 1.836 57.178 55.300 0.070 0.000 1.123 452 M CB -0.801 31.772 32.600 -0.046 0.000 1.388 452 M HN 0.345 nan 8.290 nan 0.000 0.425 453 T N -0.089 114.507 114.554 0.071 0.000 2.777 453 T HA -0.136 4.193 4.350 -0.034 0.000 0.266 453 T C 1.736 176.570 174.700 0.223 0.000 1.040 453 T CA 1.450 63.624 62.100 0.123 0.000 1.141 453 T CB -0.251 68.665 68.868 0.080 0.000 0.868 453 T HN 0.392 nan 8.240 nan 0.000 0.444 454 E N 0.690 121.001 120.200 0.186 0.000 2.077 454 E HA -0.133 4.196 4.350 -0.034 0.000 0.193 454 E C 1.969 178.719 176.600 0.250 0.000 0.989 454 E CA 1.081 57.598 56.400 0.196 0.000 0.800 454 E CB -0.385 29.412 29.700 0.160 0.000 0.746 454 E HN 0.493 nan 8.360 nan 0.000 0.452 455 F N 1.064 121.103 119.950 0.149 0.000 2.095 455 F HA -0.243 4.264 4.527 -0.034 0.000 0.298 455 F C 2.582 178.538 175.800 0.261 0.000 1.104 455 F CA 1.712 59.812 58.000 0.166 0.000 1.232 455 F CB -0.581 38.503 39.000 0.139 0.000 0.987 455 F HN 0.104 nan 8.300 nan 0.000 0.475 456 C N 0.247 119.778 119.300 0.385 0.000 2.419 456 C HA -0.168 4.272 4.460 -0.034 0.000 0.281 456 C C 2.815 178.155 174.990 0.583 0.000 1.336 456 C CA 1.697 60.989 59.018 0.457 0.000 1.770 456 C CB -1.796 26.068 27.740 0.206 0.000 1.929 456 C HN 0.710 nan 8.230 nan 0.000 0.509 457 T N -1.595 113.265 114.554 0.509 0.000 3.072 457 T HA -0.065 4.265 4.350 -0.034 0.000 0.266 457 T C 1.510 176.305 174.700 0.159 0.000 1.127 457 T CA 0.884 63.222 62.100 0.397 0.000 1.107 457 T CB -0.372 68.613 68.868 0.196 0.000 0.910 457 T HN 0.591 nan 8.240 nan 0.000 0.513 458 R N 0.337 120.875 120.500 0.063 0.000 2.393 458 R HA 0.370 4.690 4.340 -0.034 0.000 0.244 458 R C -0.550 175.693 176.300 -0.095 0.000 0.920 458 R CA -0.153 55.911 56.100 -0.060 0.000 1.076 458 R CB 0.677 30.895 30.300 -0.136 0.000 1.119 458 R HN 0.287 nan 8.270 nan 0.000 0.524 459 V N 1.305 121.231 119.914 0.020 0.000 2.435 459 V HA 0.327 4.427 4.120 -0.034 0.000 0.290 459 V C 0.018 176.142 176.094 0.050 0.000 1.030 459 V CA -0.519 61.814 62.300 0.055 0.000 0.881 459 V CB 1.701 33.669 31.823 0.241 0.000 0.983 459 V HN 0.251 nan 8.190 nan 0.000 0.445 460 S N 4.220 119.942 115.700 0.036 0.000 2.661 460 S HA 0.970 5.420 4.470 -0.034 0.000 0.285 460 S C -1.173 173.499 174.600 0.119 0.000 1.138 460 S CA -0.771 57.408 58.200 -0.036 0.000 0.855 460 S CB 2.410 65.544 63.200 -0.110 0.000 1.136 460 S HN 1.024 nan 8.310 nan 0.000 0.484 461 Y N -1.690 118.673 120.300 0.104 0.000 2.713 461 Y HA 0.803 5.332 4.550 -0.034 0.000 0.335 461 Y C -1.532 174.327 175.900 -0.069 0.000 1.222 461 Y CA -1.234 56.835 58.100 -0.051 0.000 1.061 461 Y CB 0.846 38.800 38.460 -0.843 0.000 1.314 461 Y HN 1.061 nan 8.280 nan 0.000 0.453 462 K N 0.618 120.965 120.400 -0.087 0.000 2.551 462 K HA 0.585 4.885 4.320 -0.034 0.000 0.269 462 K C -1.844 174.729 176.600 -0.045 0.000 0.949 462 K CA -1.208 54.945 56.287 -0.223 0.000 0.849 462 K CB 2.747 34.821 32.500 -0.710 0.000 1.411 462 K HN 0.663 nan 8.250 nan 0.000 0.432 463 K N 1.259 121.605 120.400 -0.092 0.000 2.237 463 K HA 0.381 4.681 4.320 -0.034 0.000 0.270 463 K C 0.054 176.534 176.600 -0.199 0.000 1.015 463 K CA -0.655 55.484 56.287 -0.248 0.000 0.949 463 K CB 1.352 33.707 32.500 -0.240 0.000 0.976 463 K HN 0.556 nan 8.250 nan 0.000 0.472 474 F N 1.990 121.859 119.950 -0.134 0.000 2.418 474 F HA 0.305 4.812 4.527 -0.034 0.000 0.341 474 F C 0.616 176.249 175.800 -0.279 0.000 1.120 474 F CA 0.515 58.386 58.000 -0.215 0.000 1.232 474 F CB 1.060 39.955 39.000 -0.174 0.000 1.175 474 F HN 0.497 nan 8.300 nan 0.000 0.569 475 E N 1.346 121.359 120.200 -0.313 0.000 2.369 475 E HA 0.332 4.662 4.350 -0.034 0.000 0.270 475 E C -0.965 175.318 176.600 -0.529 0.000 0.909 475 E CA -1.219 54.953 56.400 -0.379 0.000 0.775 475 E CB 1.654 31.132 29.700 -0.371 0.000 1.270 475 E HN 0.465 nan 8.360 nan 0.000 0.445 476 N N 0.417 119.000 118.700 -0.196 0.000 2.458 476 N HA 0.306 5.026 4.740 -0.034 0.000 0.271 476 N C -0.347 175.340 175.510 0.294 0.000 1.210 476 N CA -0.272 52.797 53.050 0.032 0.000 0.978 476 N CB 0.397 38.964 38.487 0.133 0.000 1.206 476 N HN 0.266 nan 8.380 nan 0.000 0.536 477 F N 0.367 120.650 119.950 0.556 0.000 2.586 477 F HA -0.083 4.424 4.527 -0.033 0.000 0.344 477 F C 1.106 177.111 175.800 0.341 0.000 1.188 477 F CA -0.138 58.120 58.000 0.431 0.000 1.359 477 F CB 0.202 39.259 39.000 0.094 0.000 1.129 477 F HN 0.373 nan 8.300 nan 0.000 0.609 478 Y N 5.091 125.608 120.300 0.362 0.000 2.620 478 Y HA 0.075 4.605 4.550 -0.034 0.000 0.330 478 Y C -1.680 174.326 175.900 0.177 0.000 1.186 478 Y CA -2.323 55.891 58.100 0.191 0.000 1.467 478 Y CB 0.344 38.832 38.460 0.045 0.000 1.262 478 Y HN 0.351 nan 8.280 nan 0.000 0.550 479 P HA -0.277 nan 4.420 nan 0.000 0.222 479 P C -0.324 176.834 177.300 -0.238 0.000 1.157 479 P CA 1.898 64.856 63.100 -0.236 0.000 0.905 479 P CB -0.089 31.360 31.700 -0.417 0.000 0.792 480 V N 0.998 120.668 119.914 -0.407 0.000 2.397 480 V HA -0.023 4.077 4.120 -0.034 0.000 0.262 480 V C 0.837 176.833 176.094 -0.163 0.000 1.047 480 V CA 0.178 62.374 62.300 -0.173 0.000 1.003 480 V CB -0.328 31.509 31.823 0.025 0.000 1.037 480 V HN 0.031 nan 8.190 nan 0.000 0.480 481 L N 5.994 127.065 121.223 -0.254 0.000 2.384 481 L HA 0.086 4.406 4.340 -0.034 0.000 0.258 481 L C 1.941 178.678 176.870 -0.222 0.000 1.266 481 L CA -0.063 54.566 54.840 -0.351 0.000 1.162 481 L CB -0.004 41.811 42.059 -0.407 0.000 1.375 481 L HN 0.879 nan 8.230 nan 0.000 0.420 482 T N -2.977 111.427 114.554 -0.251 0.000 3.051 482 T HA -0.161 4.169 4.350 -0.034 0.000 0.269 482 T C 1.449 176.074 174.700 -0.126 0.000 1.127 482 T CA 0.773 62.762 62.100 -0.185 0.000 1.107 482 T CB -0.342 68.382 68.868 -0.241 0.000 0.898 482 T HN 0.414 nan 8.240 nan 0.000 0.517 483 F N 0.869 120.669 119.950 -0.250 0.000 2.408 483 F HA 0.212 4.719 4.527 -0.034 0.000 0.300 483 F C 1.710 177.521 175.800 0.018 0.000 1.090 483 F CA 0.290 58.172 58.000 -0.197 0.000 1.427 483 F CB -0.088 38.684 39.000 -0.379 0.000 1.070 483 F HN 0.185 nan 8.300 nan 0.000 0.549 484 L N -1.413 119.962 121.223 0.252 0.000 2.612 484 L HA -0.008 4.312 4.340 -0.034 0.000 0.230 484 L C 1.995 179.099 176.870 0.391 0.000 1.140 484 L CA -0.078 55.027 54.840 0.442 0.000 0.896 484 L CB -0.468 41.762 42.059 0.284 0.000 1.065 484 L HN -0.035 nan 8.230 nan 0.000 0.447 485 S N -0.058 115.760 115.700 0.197 0.000 2.402 485 S HA -0.268 4.182 4.470 -0.034 0.000 0.233 485 S C 1.831 176.467 174.600 0.061 0.000 1.030 485 S CA 1.399 59.667 58.200 0.113 0.000 1.003 485 S CB -0.373 62.859 63.200 0.053 0.000 0.813 485 S HN 0.546 nan 8.310 nan 0.000 0.477 486 Y N 0.686 120.880 120.300 -0.176 0.000 2.241 486 Y HA -0.187 4.344 4.550 -0.032 0.000 0.286 486 Y C 1.608 177.249 175.900 -0.432 0.000 1.166 486 Y CA 1.577 59.400 58.100 -0.462 0.000 1.203 486 Y CB -0.142 37.723 38.460 -0.992 0.000 0.977 486 Y HN 0.364 nan 8.280 nan 0.000 0.529 487 W N 0.277 121.649 121.300 0.119 0.000 3.278 487 W HA 0.314 4.953 4.660 -0.035 0.000 0.308 487 W C -0.789 175.736 176.519 0.011 0.000 1.253 487 W CA -0.012 57.364 57.345 0.052 0.000 1.759 487 W CB -0.112 29.425 29.460 0.128 0.000 1.093 487 W HN -0.064 nan 8.180 nan 0.000 0.648 488 L N 0.130 121.454 121.223 0.169 0.000 2.362 488 L HA 0.316 4.636 4.340 -0.034 0.000 0.271 488 L C 1.382 178.287 176.870 0.059 0.000 1.002 488 L CA -0.689 54.227 54.840 0.126 0.000 0.818 488 L CB 2.295 44.444 42.059 0.150 0.000 1.298 488 L HN -0.338 nan 8.230 nan 0.000 0.420 489 K N 1.718 122.154 120.400 0.059 0.000 2.025 489 K HA 0.077 4.377 4.320 -0.034 0.000 0.207 489 K C 0.545 177.171 176.600 0.044 0.000 1.049 489 K CA 1.307 57.617 56.287 0.039 0.000 0.933 489 K CB 0.087 32.613 32.500 0.043 0.000 0.714 489 K HN 0.634 nan 8.250 nan 0.000 0.438 490 A N 2.551 125.409 122.820 0.063 0.000 2.664 490 A HA 0.348 4.648 4.320 -0.034 0.000 0.338 490 A C -2.636 174.995 177.584 0.078 0.000 1.280 490 A CA -1.630 50.446 52.037 0.066 0.000 0.809 490 A CB 0.385 19.429 19.000 0.074 0.000 1.114 490 A HN -0.071 nan 8.150 nan 0.000 0.479 491 P HA -0.021 nan 4.420 nan 0.000 0.260 491 P C 0.143 177.482 177.300 0.065 0.000 1.185 491 P CA -0.001 63.137 63.100 0.063 0.000 0.763 491 P CB 0.425 32.152 31.700 0.044 0.000 0.776 492 L N 4.861 126.121 121.223 0.062 0.000 2.456 492 L HA 0.269 4.589 4.340 -0.034 0.000 0.272 492 L C 0.337 177.229 176.870 0.036 0.000 1.189 492 L CA 0.965 55.837 54.840 0.055 0.000 0.846 492 L CB 0.267 42.324 42.059 -0.003 0.000 1.111 492 L HN 0.488 nan 8.230 nan 0.000 0.475 493 T N 2.832 117.427 114.554 0.068 0.000 2.887 493 T HA 0.470 4.800 4.350 -0.034 0.000 0.292 493 T C -0.101 174.670 174.700 0.118 0.000 1.087 493 T CA -0.974 61.171 62.100 0.076 0.000 1.009 493 T CB 1.617 70.558 68.868 0.121 0.000 1.203 493 T HN 0.710 nan 8.240 nan 0.000 0.518 494 R N 1.112 121.657 120.500 0.076 0.000 2.491 494 R HA 0.344 4.664 4.340 -0.034 0.000 0.283 494 R C -2.464 173.990 176.300 0.257 0.000 1.072 494 R CA -1.564 54.576 56.100 0.065 0.000 1.048 494 R CB -0.149 29.898 30.300 -0.422 0.000 0.983 494 R HN 0.400 nan 8.270 nan 0.000 0.450 495 P HA -0.094 nan 4.420 nan 0.000 0.259 495 P C 0.240 177.606 177.300 0.111 0.000 1.163 495 P CA 1.610 64.802 63.100 0.152 0.000 0.760 495 P CB 0.563 32.333 31.700 0.117 0.000 0.762 496 G N 2.080 110.906 108.800 0.042 0.000 2.299 496 G HA2 -0.263 3.677 3.960 -0.034 0.000 0.237 496 G HA3 -0.263 3.677 3.960 -0.034 0.000 0.237 496 G C 0.015 174.765 174.900 -0.250 0.000 1.027 496 G CA -0.521 44.499 45.100 -0.133 0.000 0.619 496 G HN 0.421 nan 8.290 nan 0.000 0.513 497 F N 2.200 122.127 119.950 -0.038 0.000 2.396 497 F HA 0.585 5.091 4.527 -0.034 0.000 0.343 497 F C 1.192 177.044 175.800 0.087 0.000 1.104 497 F CA -0.431 57.531 58.000 -0.064 0.000 1.161 497 F CB 0.665 39.620 39.000 -0.076 0.000 1.146 497 F HN 0.126 nan 8.300 nan 0.000 0.522 498 H N 2.968 122.130 119.070 0.154 0.000 2.487 498 H HA 0.284 4.821 4.556 -0.032 0.000 0.333 498 H C -1.893 173.489 175.328 0.090 0.000 1.114 498 H CA -2.048 54.055 56.048 0.092 0.000 1.310 498 H CB 0.894 30.688 29.762 0.054 0.000 1.462 498 H HN 0.388 nan 8.280 nan 0.000 0.516 499 P HA 0.078 nan 4.420 nan 0.000 0.276 499 P C -0.780 176.573 177.300 0.087 0.000 1.244 499 P CA -0.423 62.740 63.100 0.105 0.000 0.801 499 P CB 1.404 33.148 31.700 0.074 0.000 1.006 500 V N 2.985 122.934 119.914 0.057 0.000 2.407 500 V HA 0.206 4.306 4.120 -0.034 0.000 0.291 500 V C 0.985 177.097 176.094 0.029 0.000 1.018 500 V CA -0.460 61.868 62.300 0.046 0.000 0.842 500 V CB 1.006 32.855 31.823 0.043 0.000 0.996 500 V HN 0.535 nan 8.190 nan 0.000 0.426 501 N N 3.172 121.886 118.700 0.023 0.000 2.325 501 N HA 0.040 4.760 4.740 -0.034 0.000 0.182 501 N C 1.180 176.686 175.510 -0.006 0.000 1.088 501 N CA 0.325 53.379 53.050 0.007 0.000 0.879 501 N CB 0.775 39.268 38.487 0.011 0.000 0.983 501 N HN 0.782 nan 8.380 nan 0.000 0.471 502 G N 1.660 110.464 108.800 0.007 0.000 2.248 502 G HA2 0.055 3.995 3.960 -0.034 0.000 0.260 502 G HA3 0.055 3.995 3.960 -0.034 0.000 0.260 502 G C 1.180 176.075 174.900 -0.008 0.000 1.214 502 G CA -0.297 44.807 45.100 0.007 0.000 0.979 502 G HN 0.098 nan 8.290 nan 0.000 0.454 503 L N 3.251 124.450 121.223 -0.040 0.000 2.012 503 L HA -0.161 4.159 4.340 -0.034 0.000 0.210 503 L C 2.539 179.429 176.870 0.034 0.000 1.073 503 L CA 2.138 56.931 54.840 -0.079 0.000 0.748 503 L CB -0.554 41.412 42.059 -0.154 0.000 0.891 503 L HN 0.733 nan 8.230 nan 0.000 0.431 504 N N -1.098 117.624 118.700 0.037 0.000 2.104 504 N HA -0.214 4.506 4.740 -0.034 0.000 0.190 504 N C 1.670 177.214 175.510 0.056 0.000 1.024 504 N CA 1.290 54.373 53.050 0.054 0.000 0.853 504 N CB -0.102 38.408 38.487 0.038 0.000 1.008 504 N HN 0.365 nan 8.380 nan 0.000 0.424 505 K N 0.922 121.351 120.400 0.049 0.000 2.148 505 K HA -0.113 4.187 4.320 -0.034 0.000 0.204 505 K C 1.974 178.612 176.600 0.064 0.000 1.050 505 K CA 0.969 57.288 56.287 0.052 0.000 0.942 505 K CB -0.001 32.527 32.500 0.046 0.000 0.724 505 K HN 0.298 nan 8.250 nan 0.000 0.446 506 Q N 0.116 119.956 119.800 0.067 0.000 2.119 506 Q HA -0.133 4.187 4.340 -0.034 0.000 0.201 506 Q C 2.149 178.195 176.000 0.077 0.000 0.972 506 Q CA 1.175 57.027 55.803 0.083 0.000 0.847 506 Q CB -0.009 28.770 28.738 0.068 0.000 0.903 506 Q HN 0.204 nan 8.270 nan 0.000 0.433 507 R N -0.060 120.489 120.500 0.081 0.000 2.093 507 R HA -0.065 4.255 4.340 -0.034 0.000 0.224 507 R C 2.010 178.308 176.300 -0.003 0.000 1.101 507 R CA 1.431 57.492 56.100 -0.064 0.000 0.979 507 R CB 0.010 30.253 30.300 -0.095 0.000 0.877 507 R HN 0.107 nan 8.270 nan 0.000 0.441 508 T N 0.666 115.242 114.554 0.035 0.000 2.720 508 T HA -0.142 4.188 4.350 -0.034 0.000 0.268 508 T C 1.758 176.496 174.700 0.063 0.000 1.037 508 T CA 1.393 63.519 62.100 0.043 0.000 1.144 508 T CB -0.288 68.609 68.868 0.048 0.000 0.864 508 T HN 0.459 nan 8.240 nan 0.000 0.444 509 A N 1.191 124.071 122.820 0.100 0.000 1.883 509 A HA -0.050 4.250 4.320 -0.034 0.000 0.217 509 A C 2.300 179.966 177.584 0.138 0.000 1.186 509 A CA 1.391 53.542 52.037 0.190 0.000 0.624 509 A CB -0.894 18.263 19.000 0.261 0.000 0.822 509 A HN 0.486 nan 8.150 nan 0.000 0.444 510 L N -0.971 120.270 121.223 0.030 0.000 2.046 510 L HA -0.202 4.118 4.340 -0.034 0.000 0.208 510 L C 2.688 179.508 176.870 -0.084 0.000 1.077 510 L CA 1.829 56.605 54.840 -0.107 0.000 0.747 510 L CB -0.518 41.553 42.059 0.021 0.000 0.896 510 L HN 0.623 nan 8.230 nan 0.000 0.432 511 E N 0.412 120.596 120.200 -0.027 0.000 2.058 511 E HA -0.249 4.080 4.350 -0.034 0.000 0.194 511 E C 1.873 178.403 176.600 -0.116 0.000 0.997 511 E CA 1.483 57.831 56.400 -0.086 0.000 0.801 511 E CB 0.074 29.759 29.700 -0.025 0.000 0.746 511 E HN 0.429 nan 8.360 nan 0.000 0.450 512 N N -0.087 118.588 118.700 -0.042 0.000 2.309 512 N HA -0.136 4.584 4.740 -0.034 0.000 0.182 512 N C 1.524 176.986 175.510 -0.079 0.000 1.018 512 N CA 0.756 53.783 53.050 -0.038 0.000 0.876 512 N CB -0.343 38.168 38.487 0.040 0.000 0.972 512 N HN 0.276 nan 8.380 nan 0.000 0.434 513 F N 1.414 121.209 119.950 -0.258 0.000 2.113 513 F HA -0.034 4.473 4.527 -0.033 0.000 0.297 513 F C 2.022 177.613 175.800 -0.350 0.000 1.103 513 F CA 0.798 58.583 58.000 -0.358 0.000 1.248 513 F CB -0.006 38.635 39.000 -0.599 0.000 0.999 513 F HN -0.089 nan 8.300 nan 0.000 0.475 514 L N 0.138 121.083 121.223 -0.463 0.000 2.046 514 L HA -0.208 4.112 4.340 -0.034 0.000 0.208 514 L C 2.583 179.204 176.870 -0.416 0.000 1.077 514 L CA 1.352 55.870 54.840 -0.537 0.000 0.747 514 L CB -0.720 41.001 42.059 -0.563 0.000 0.896 514 L HN 0.106 nan 8.230 nan 0.000 0.432 515 R N 0.273 120.584 120.500 -0.316 0.000 2.073 515 R HA -0.188 4.132 4.340 -0.034 0.000 0.234 515 R C 2.281 178.448 176.300 -0.223 0.000 1.134 515 R CA 1.703 57.668 56.100 -0.225 0.000 0.952 515 R CB -0.596 29.612 30.300 -0.154 0.000 0.850 515 R HN 0.310 nan 8.270 nan 0.000 0.433 516 L N -0.710 120.332 121.223 -0.303 0.000 2.201 516 L HA -0.053 4.267 4.340 -0.034 0.000 0.212 516 L C 1.823 178.496 176.870 -0.328 0.000 1.105 516 L CA 1.630 56.270 54.840 -0.332 0.000 0.775 516 L CB -0.635 40.984 42.059 -0.733 0.000 0.913 516 L HN 0.050 nan 8.230 nan 0.000 0.440 517 L N 0.481 121.433 121.223 -0.452 0.000 2.275 517 L HA -0.050 4.269 4.340 -0.034 0.000 0.215 517 L C 2.098 178.854 176.870 -0.190 0.000 1.119 517 L CA 1.163 55.783 54.840 -0.366 0.000 0.790 517 L CB -0.395 41.387 42.059 -0.461 0.000 0.919 517 L HN 0.533 nan 8.230 nan 0.000 0.443 518 I N -3.974 116.499 120.570 -0.162 0.000 3.914 518 I HA 0.427 4.577 4.170 -0.034 0.000 0.333 518 I C 1.089 177.184 176.117 -0.038 0.000 1.449 518 I CA 0.278 61.530 61.300 -0.080 0.000 1.135 518 I CB -0.005 37.949 38.000 -0.076 0.000 1.073 518 I HN 0.142 nan 8.210 nan 0.000 0.401 519 G N 1.906 110.689 108.800 -0.029 0.000 2.136 519 G HA2 -0.224 3.716 3.960 -0.034 0.000 0.242 519 G HA3 -0.224 3.716 3.960 -0.034 0.000 0.242 519 G C -0.126 174.792 174.900 0.029 0.000 0.989 519 G CA 0.087 45.204 45.100 0.028 0.000 0.682 519 G HN 0.426 nan 8.290 nan 0.000 0.522 520 L N 1.642 122.861 121.223 -0.006 0.000 2.322 520 L HA 0.537 4.857 4.340 -0.034 0.000 0.279 520 L C -1.259 175.629 176.870 0.029 0.000 1.036 520 L CA -2.337 52.500 54.840 -0.004 0.000 0.807 520 L CB 1.758 43.788 42.059 -0.048 0.000 1.226 520 L HN -0.023 nan 8.230 nan 0.000 0.433 521 P HA 0.141 nan 4.420 nan 0.000 0.279 521 P C -0.601 176.729 177.300 0.050 0.000 1.282 521 P CA -0.506 62.647 63.100 0.090 0.000 0.788 521 P CB 0.693 32.430 31.700 0.061 0.000 1.139 522 S N 0.216 115.962 115.700 0.077 0.000 2.573 522 S HA 0.045 4.495 4.470 -0.034 0.000 0.277 522 S C 0.566 175.166 174.600 -0.000 0.000 1.346 522 S CA -0.423 57.804 58.200 0.045 0.000 1.034 522 S CB -0.202 63.044 63.200 0.076 0.000 0.879 522 S HN 0.336 nan 8.310 nan 0.000 0.528 523 Q N 2.114 121.904 119.800 -0.017 0.000 2.337 523 Q HA 0.072 4.391 4.340 -0.034 0.000 0.270 523 Q C 0.575 176.552 176.000 -0.038 0.000 1.002 523 Q CA 0.145 55.924 55.803 -0.040 0.000 0.888 523 Q CB 0.421 29.135 28.738 -0.040 0.000 1.222 523 Q HN 0.856 nan 8.270 nan 0.000 0.400 524 N N 0.120 118.780 118.700 -0.066 0.000 2.239 524 N HA -0.032 4.688 4.740 -0.034 0.000 0.208 524 N C -0.302 175.149 175.510 -0.098 0.000 1.200 524 N CA -0.104 52.897 53.050 -0.082 0.000 0.895 524 N CB 0.546 38.962 38.487 -0.118 0.000 1.085 524 N HN 0.332 nan 8.380 nan 0.000 0.500 525 E N -0.245 119.898 120.200 -0.095 0.000 3.065 525 E HA -0.202 4.128 4.350 -0.034 0.000 0.277 525 E C 0.569 177.101 176.600 -0.113 0.000 1.008 525 E CA 0.470 56.822 56.400 -0.080 0.000 0.864 525 E CB -1.717 27.958 29.700 -0.041 0.000 1.439 525 E HN 0.550 nan 8.360 nan 0.000 0.445 526 L N -0.326 120.763 121.223 -0.224 0.000 2.217 526 L HA 0.002 4.322 4.340 -0.034 0.000 0.211 526 L C 1.143 177.864 176.870 -0.250 0.000 1.107 526 L CA 0.885 55.502 54.840 -0.372 0.000 0.783 526 L CB -0.195 41.328 42.059 -0.893 0.000 0.919 526 L HN 0.124 nan 8.230 nan 0.000 0.442 527 R N -0.810 119.586 120.500 -0.174 0.000 3.225 527 R HA -0.232 4.088 4.340 -0.034 0.000 0.245 527 R C 0.779 177.162 176.300 0.139 0.000 0.928 527 R CA 0.259 56.346 56.100 -0.022 0.000 0.632 527 R CB -2.316 27.991 30.300 0.013 0.000 1.038 527 R HN 0.342 nan 8.270 nan 0.000 0.461 528 F N 0.104 120.055 119.950 0.001 0.000 2.408 528 F HA -0.178 4.329 4.527 -0.033 0.000 0.300 528 F C 2.086 177.887 175.800 0.002 0.000 1.090 528 F CA 0.538 58.539 58.000 0.002 0.000 1.427 528 F CB 0.125 39.126 39.000 0.002 0.000 1.070 528 F HN 0.238 nan 8.300 nan 0.000 0.549 529 E N 0.386 120.695 120.200 0.183 0.000 2.153 529 E HA -0.236 4.094 4.350 -0.034 0.000 0.194 529 E C 1.842 178.490 176.600 0.079 0.000 0.988 529 E CA 1.269 57.730 56.400 0.101 0.000 0.811 529 E CB -0.123 29.615 29.700 0.063 0.000 0.746 529 E HN 0.513 nan 8.360 nan 0.000 0.466 530 E N 0.059 120.312 120.200 0.089 0.000 2.162 530 E HA 0.015 4.345 4.350 -0.034 0.000 0.193 530 E C 1.838 178.480 176.600 0.069 0.000 0.953 530 E CA 0.034 56.473 56.400 0.065 0.000 0.849 530 E CB 0.171 29.904 29.700 0.055 0.000 0.810 530 E HN 0.040 nan 8.360 nan 0.000 0.470 531 R N 0.215 120.782 120.500 0.111 0.000 2.148 531 R HA 0.111 4.431 4.340 -0.034 0.000 0.223 531 R C 0.661 176.975 176.300 0.024 0.000 1.088 531 R CA 0.477 56.633 56.100 0.094 0.000 0.985 531 R CB -0.016 30.390 30.300 0.178 0.000 0.880 531 R HN 0.179 nan 8.270 nan 0.000 0.451 532 L N 1.273 122.494 121.223 -0.002 0.000 2.352 532 L HA 0.322 4.642 4.340 -0.034 0.000 0.269 532 L C 0.614 177.461 176.870 -0.038 0.000 1.034 532 L CA -0.906 53.883 54.840 -0.085 0.000 0.806 532 L CB 1.030 42.966 42.059 -0.204 0.000 1.244 532 L HN -0.056 nan 8.230 nan 0.000 0.447 533 L N 0.000 121.195 121.223 -0.047 0.000 2.949 533 L HA 0.000 4.320 4.340 -0.034 0.000 0.249 533 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 533 L CB 0.000 42.041 42.059 -0.029 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502