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 2wox_1_C DATA FIRST_RESID 2 DATA SEQUENCE ARFEEQKLYI GGRYVEASSG ATFETINPAN GEVLAKVQRA SREDVERAVQ DATA SEQUENCE SAVEGQKVWA AMTAMQRSRI LRRAVDILRE RNDELAALET LDTGKPLAET DATA SEQUENCE RSVDIVTGAD VLEYYAGLVP AIEGEQIPLR ETSFVYTRRE PLGVVAGIGA DATA SEQUENCE WNYPVQIALW KSAPALAAGN AMIFKPSEVT PLTALKLAEI YTEAGVPDGV DATA SEQUENCE FNVLTGSGRE VGQWLTEHPL IEKISFTGGT STGKKVMASA SSSSLKEVTM DATA SEQUENCE ELGGKSPLII FPDADLDRAA DIAVMANFFS SGQVCTNGTR VFIHRSQQAR DATA SEQUENCE FEAKVLERVQ RIRLGDPQDE NTNFGPLVSF PHMESVLGYI ESGKAQKARL DATA SEQUENCE LCGGERVTDG AFGKGAYVAP TVFTDCRDDM TIVREEIFGP VMSILVYDDE DATA SEQUENCE DEAIRRANDT EYGLAAGVVT QDLARAHRAI HRLEAGICWI NTWGESPAEM DATA SEQUENCE PVGGYKQSGV GRENGLTTLA HYTRIKSVQV ELGDYASVF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.500 177.584 -0.140 0.000 1.274 2 A CA 0.000 51.986 52.037 -0.085 0.000 0.836 2 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 3 R N -0.524 119.818 120.500 -0.263 0.000 2.075 3 R HA 0.024 4.365 4.340 0.001 0.000 0.232 3 R C -0.338 175.677 176.300 -0.475 0.000 1.126 3 R CA 1.602 57.421 56.100 -0.468 0.000 0.963 3 R CB -0.185 29.642 30.300 -0.788 0.000 0.858 3 R HN 0.570 nan 8.270 nan 0.000 0.435 4 F N 0.650 120.583 119.950 -0.028 0.000 2.541 4 F HA 0.245 4.773 4.527 0.001 0.000 0.331 4 F C 0.134 175.905 175.800 -0.048 0.000 1.057 4 F CA -1.559 56.419 58.000 -0.036 0.000 0.975 4 F CB 0.923 39.901 39.000 -0.037 0.000 1.246 4 F HN 0.037 nan 8.300 nan 0.000 0.484 5 E N -0.510 119.788 120.200 0.163 0.000 2.409 5 E HA 0.097 4.448 4.350 0.001 0.000 0.257 5 E C -0.532 176.078 176.600 0.016 0.000 1.150 5 E CA -0.729 55.700 56.400 0.047 0.000 0.942 5 E CB 0.520 30.223 29.700 0.005 0.000 0.979 5 E HN 0.634 nan 8.360 nan 0.000 0.447 6 E N 0.868 121.054 120.200 -0.023 0.000 2.465 6 E HA -0.097 4.254 4.350 0.001 0.000 0.260 6 E C -0.538 176.014 176.600 -0.080 0.000 0.980 6 E CA -0.180 56.191 56.400 -0.049 0.000 0.927 6 E CB 0.515 30.187 29.700 -0.047 0.000 0.934 6 E HN 0.290 nan 8.360 nan 0.000 0.459 7 Q N 3.476 123.226 119.800 -0.083 0.000 2.296 7 Q HA 0.236 4.576 4.340 0.001 0.000 0.257 7 Q C -0.693 175.295 176.000 -0.021 0.000 0.942 7 Q CA -0.091 55.665 55.803 -0.079 0.000 0.939 7 Q CB 1.520 30.233 28.738 -0.041 0.000 1.198 7 Q HN 0.352 nan 8.270 nan 0.000 0.429 8 K N 1.024 121.440 120.400 0.027 0.000 2.210 8 K HA 0.528 4.849 4.320 0.001 0.000 0.236 8 K C 0.041 176.829 176.600 0.313 0.000 1.016 8 K CA -0.649 55.726 56.287 0.147 0.000 0.913 8 K CB 0.944 33.530 32.500 0.143 0.000 1.141 8 K HN 0.370 nan 8.250 nan 0.000 0.462 9 L N 1.102 122.469 121.223 0.241 0.000 2.464 9 L HA 0.172 4.512 4.340 0.001 0.000 0.264 9 L C -0.388 176.623 176.870 0.235 0.000 1.199 9 L CA -0.150 54.822 54.840 0.219 0.000 0.818 9 L CB 0.039 42.178 42.059 0.133 0.000 1.102 9 L HN 0.516 nan 8.230 nan 0.000 0.473 10 Y N 2.991 123.292 120.300 0.000 0.000 2.464 10 Y HA 0.580 5.131 4.550 0.001 0.000 0.326 10 Y C -0.508 175.323 175.900 -0.116 0.000 0.969 10 Y CA -0.429 57.566 58.100 -0.175 0.000 1.270 10 Y CB 0.717 38.995 38.460 -0.305 0.000 1.103 10 Y HN 0.307 nan 8.280 nan 0.000 0.491 11 I N 4.492 124.902 120.570 -0.266 0.000 2.533 11 I HA 0.426 4.596 4.170 0.001 0.000 0.290 11 I C 0.585 176.557 176.117 -0.242 0.000 1.056 11 I CA -0.993 60.210 61.300 -0.162 0.000 1.057 11 I CB 2.181 40.131 38.000 -0.083 0.000 1.240 11 I HN 0.809 nan 8.210 nan 0.000 0.423 12 G N 4.003 112.712 108.800 -0.151 0.000 2.295 12 G HA2 -0.049 3.912 3.960 0.001 0.000 0.287 12 G HA3 -0.049 3.912 3.960 0.001 0.000 0.287 12 G C 0.876 175.668 174.900 -0.180 0.000 1.055 12 G CA 0.601 45.626 45.100 -0.125 0.000 0.922 12 G HN 1.684 nan 8.290 nan 0.000 0.503 13 G N -1.302 107.351 108.800 -0.245 0.000 2.141 13 G HA2 0.041 4.002 3.960 0.001 0.000 0.242 13 G HA3 0.041 4.002 3.960 0.001 0.000 0.242 13 G C 0.263 174.922 174.900 -0.400 0.000 0.982 13 G CA 1.277 46.275 45.100 -0.170 0.000 0.662 13 G HN 2.274 nan 8.290 nan 0.000 0.527 14 R N -1.957 117.990 120.500 -0.922 0.000 2.741 14 R HA 0.464 4.805 4.340 0.001 0.000 0.276 14 R C -1.406 174.353 176.300 -0.901 0.000 1.028 14 R CA -1.028 54.631 56.100 -0.736 0.000 0.865 14 R CB 0.408 30.555 30.300 -0.255 0.000 1.268 14 R HN 0.183 nan 8.270 nan 0.000 0.475 15 Y N 0.673 120.801 120.300 -0.287 0.000 2.335 15 Y HA 0.377 4.927 4.550 0.001 0.000 0.331 15 Y C 0.669 176.516 175.900 -0.089 0.000 1.094 15 Y CA 0.224 58.260 58.100 -0.107 0.000 1.253 15 Y CB 1.575 40.053 38.460 0.030 0.000 1.203 15 Y HN 0.460 nan 8.280 nan 0.000 0.508 16 V N 0.185 120.152 119.914 0.088 0.000 2.876 16 V HA 0.544 4.665 4.120 0.001 0.000 0.312 16 V C -0.521 175.618 176.094 0.075 0.000 1.085 16 V CA -1.383 60.947 62.300 0.050 0.000 0.945 16 V CB 2.010 33.830 31.823 -0.005 0.000 1.017 16 V HN 0.571 nan 8.190 nan 0.000 0.428 17 E N 2.387 122.619 120.200 0.053 0.000 2.376 17 E HA 0.434 4.784 4.350 0.001 0.000 0.266 17 E C 0.589 177.220 176.600 0.051 0.000 1.009 17 E CA 0.340 56.770 56.400 0.050 0.000 0.902 17 E CB 1.549 31.269 29.700 0.033 0.000 0.972 17 E HN 1.085 nan 8.360 nan 0.000 0.439 18 A N 2.589 125.446 122.820 0.063 0.000 2.366 18 A HA 0.156 4.476 4.320 0.001 0.000 0.250 18 A C 0.731 178.347 177.584 0.054 0.000 1.099 18 A CA 0.119 52.197 52.037 0.069 0.000 0.794 18 A CB 0.292 19.347 19.000 0.092 0.000 1.056 18 A HN 0.616 nan 8.150 nan 0.000 0.499 19 S N -1.219 114.513 115.700 0.053 0.000 2.661 19 S HA 0.236 4.706 4.470 0.001 0.000 0.245 19 S C 0.654 175.282 174.600 0.046 0.000 1.117 19 S CA 0.313 58.536 58.200 0.038 0.000 1.091 19 S CB -0.197 63.015 63.200 0.019 0.000 0.887 19 S HN 1.254 nan 8.310 nan 0.000 0.491 20 S N 0.432 116.174 115.700 0.070 0.000 2.497 20 S HA 0.469 4.940 4.470 0.001 0.000 0.221 20 S C 1.759 176.404 174.600 0.075 0.000 1.037 20 S CA 0.579 58.832 58.200 0.089 0.000 0.920 20 S CB -0.518 62.764 63.200 0.136 0.000 0.800 20 S HN 1.603 nan 8.310 nan 0.000 0.505 21 G N 1.024 109.861 108.800 0.063 0.000 2.162 21 G HA2 -0.018 3.942 3.960 0.001 0.000 0.260 21 G HA3 -0.018 3.942 3.960 0.001 0.000 0.260 21 G C 0.147 175.083 174.900 0.060 0.000 0.976 21 G CA 0.173 45.304 45.100 0.052 0.000 0.655 21 G HN 1.411 nan 8.290 nan 0.000 0.533 22 A N -0.823 122.045 122.820 0.080 0.000 2.413 22 A HA 1.046 5.367 4.320 0.001 0.000 0.307 22 A C 0.133 177.778 177.584 0.101 0.000 1.087 22 A CA 0.597 52.689 52.037 0.092 0.000 0.750 22 A CB 1.782 20.850 19.000 0.114 0.000 1.296 22 A HN 1.806 nan 8.150 nan 0.000 0.423 23 T N -1.507 113.105 114.554 0.097 0.000 2.865 23 T HA 0.849 5.199 4.350 0.001 0.000 0.294 23 T C -0.530 174.266 174.700 0.160 0.000 1.119 23 T CA -0.509 61.629 62.100 0.062 0.000 1.007 23 T CB 1.205 70.052 68.868 -0.035 0.000 1.225 23 T HN 1.467 nan 8.240 nan 0.000 0.515 24 F N -1.209 118.763 119.950 0.036 0.000 2.664 24 F HA 0.900 5.427 4.527 0.001 0.000 0.329 24 F C -0.654 175.163 175.800 0.028 0.000 1.090 24 F CA -1.324 56.692 58.000 0.027 0.000 0.978 24 F CB 1.204 40.220 39.000 0.026 0.000 1.378 24 F HN 0.623 nan 8.300 nan 0.000 0.495 25 E N 0.175 120.486 120.200 0.186 0.000 2.202 25 E HA 0.407 4.757 4.350 0.001 0.000 0.272 25 E C -1.188 175.524 176.600 0.186 0.000 0.951 25 E CA -1.118 55.322 56.400 0.068 0.000 0.813 25 E CB 2.134 31.863 29.700 0.048 0.000 1.151 25 E HN 0.703 nan 8.360 nan 0.000 0.398 26 T N 2.413 117.029 114.554 0.103 0.000 2.824 26 T HA 0.464 4.815 4.350 0.001 0.000 0.280 26 T C -0.685 174.064 174.700 0.080 0.000 0.995 26 T CA -0.724 61.462 62.100 0.143 0.000 1.009 26 T CB 0.360 69.327 68.868 0.165 0.000 0.955 26 T HN 0.214 nan 8.240 nan 0.000 0.452 27 I N 4.794 125.405 120.570 0.069 0.000 2.474 27 I HA 0.371 4.541 4.170 0.001 0.000 0.294 27 I C 0.336 176.479 176.117 0.043 0.000 1.005 27 I CA -1.147 60.178 61.300 0.041 0.000 1.113 27 I CB 1.539 39.560 38.000 0.035 0.000 1.289 27 I HN 0.679 nan 8.210 nan 0.000 0.436 28 N N 8.494 127.214 118.700 0.033 0.000 2.431 28 N HA 0.159 4.900 4.740 0.001 0.000 0.265 28 N C -1.895 173.652 175.510 0.061 0.000 1.184 28 N CA -1.555 51.516 53.050 0.034 0.000 0.943 28 N CB 1.309 39.808 38.487 0.021 0.000 1.080 28 N HN 0.244 nan 8.380 nan 0.000 0.477 29 P HA -0.007 nan 4.420 nan 0.000 0.226 29 P C 0.577 177.867 177.300 -0.017 0.000 1.153 29 P CA 0.657 63.771 63.100 0.024 0.000 0.777 29 P CB 0.194 31.821 31.700 -0.123 0.000 0.794 30 A N 0.954 123.773 122.820 -0.003 0.000 1.970 30 A HA -0.104 4.216 4.320 0.001 0.000 0.216 30 A C 1.643 179.344 177.584 0.195 0.000 1.170 30 A CA 1.672 53.739 52.037 0.051 0.000 0.645 30 A CB -0.779 18.272 19.000 0.085 0.000 0.816 30 A HN 0.341 nan 8.150 nan 0.000 0.447 31 N N -3.724 115.073 118.700 0.163 0.000 2.036 31 N HA 0.208 4.948 4.740 0.001 0.000 0.228 31 N C 0.820 176.408 175.510 0.130 0.000 1.368 31 N CA 0.987 54.133 53.050 0.160 0.000 0.846 31 N CB -0.330 38.214 38.487 0.095 0.000 1.145 31 N HN 0.764 nan 8.380 nan 0.000 0.502 32 G N 0.912 109.800 108.800 0.146 0.000 2.168 32 G HA2 -0.388 3.572 3.960 0.001 0.000 0.263 32 G HA3 -0.388 3.572 3.960 0.001 0.000 0.263 32 G C -0.176 174.717 174.900 -0.011 0.000 0.977 32 G CA 0.562 45.685 45.100 0.039 0.000 0.659 32 G HN 0.812 nan 8.290 nan 0.000 0.533 33 E N 0.400 120.603 120.200 0.004 0.000 2.413 33 E HA 0.307 4.658 4.350 0.001 0.000 0.263 33 E C 0.351 176.930 176.600 -0.035 0.000 1.015 33 E CA -0.386 55.998 56.400 -0.027 0.000 0.916 33 E CB 0.660 30.338 29.700 -0.036 0.000 0.947 33 E HN 0.191 nan 8.360 nan 0.000 0.440 34 V N 7.173 127.058 119.914 -0.049 0.000 2.405 34 V HA -0.012 4.108 4.120 0.001 0.000 0.264 34 V C 1.283 177.333 176.094 -0.074 0.000 1.048 34 V CA 0.098 62.371 62.300 -0.045 0.000 0.966 34 V CB 0.473 32.270 31.823 -0.043 0.000 1.015 34 V HN 0.765 nan 8.190 nan 0.000 0.477 35 L N 4.063 125.258 121.223 -0.046 0.000 2.095 35 L HA 0.309 4.650 4.340 0.001 0.000 0.204 35 L C 1.016 177.884 176.870 -0.004 0.000 1.080 35 L CA 1.361 56.157 54.840 -0.074 0.000 0.759 35 L CB -0.067 42.029 42.059 0.061 0.000 0.914 35 L HN 0.774 nan 8.230 nan 0.000 0.439 36 A N -1.134 121.708 122.820 0.037 0.000 2.594 36 A HA 0.455 4.776 4.320 0.001 0.000 0.296 36 A C -1.206 176.350 177.584 -0.046 0.000 1.056 36 A CA -0.833 51.228 52.037 0.040 0.000 0.693 36 A CB 1.102 20.179 19.000 0.129 0.000 1.278 36 A HN -0.171 nan 8.150 nan 0.000 0.408 37 K N 0.754 121.112 120.400 -0.070 0.000 2.270 37 K HA 0.556 4.876 4.320 0.001 0.000 0.276 37 K C -0.711 175.754 176.600 -0.226 0.000 1.023 37 K CA -0.138 56.066 56.287 -0.138 0.000 0.955 37 K CB 1.466 33.914 32.500 -0.087 0.000 0.975 37 K HN 0.498 nan 8.250 nan 0.000 0.471 38 V N 3.024 122.665 119.914 -0.456 0.000 2.638 38 V HA 0.184 4.305 4.120 0.001 0.000 0.306 38 V C -0.133 175.672 176.094 -0.481 0.000 1.052 38 V CA -1.038 60.922 62.300 -0.566 0.000 0.885 38 V CB 1.938 33.150 31.823 -1.018 0.000 0.999 38 V HN 0.658 nan 8.190 nan 0.000 0.424 39 Q N 3.017 122.718 119.800 -0.165 0.000 2.352 39 Q HA 0.403 4.743 4.340 0.001 0.000 0.260 39 Q C -0.371 175.717 176.000 0.147 0.000 0.976 39 Q CA -0.192 55.611 55.803 0.000 0.000 0.881 39 Q CB 1.253 30.018 28.738 0.046 0.000 1.235 39 Q HN 0.516 nan 8.270 nan 0.000 0.419 40 R N 0.903 121.529 120.500 0.210 0.000 2.265 40 R HA 0.416 4.757 4.340 0.001 0.000 0.319 40 R C -0.555 175.879 176.300 0.222 0.000 1.006 40 R CA -0.433 55.835 56.100 0.279 0.000 0.880 40 R CB 1.136 31.593 30.300 0.263 0.000 1.077 40 R HN 0.588 nan 8.270 nan 0.000 0.454 41 A N 2.416 125.377 122.820 0.235 0.000 2.440 41 A HA 0.200 4.521 4.320 0.001 0.000 0.251 41 A C 0.562 178.344 177.584 0.329 0.000 1.089 41 A CA -0.306 51.870 52.037 0.231 0.000 0.779 41 A CB 0.384 19.516 19.000 0.220 0.000 1.022 41 A HN 0.820 nan 8.150 nan 0.000 0.492 42 S N 2.483 118.315 115.700 0.221 0.000 2.681 42 S HA 0.333 4.803 4.470 0.001 0.000 0.270 42 S C 1.205 175.755 174.600 -0.083 0.000 1.209 42 S CA -0.510 57.777 58.200 0.145 0.000 0.988 42 S CB 0.727 63.943 63.200 0.028 0.000 1.006 42 S HN 0.699 nan 8.310 nan 0.000 0.558 43 R N 0.286 120.398 120.500 -0.647 0.000 2.105 43 R HA -0.115 4.225 4.340 0.001 0.000 0.239 43 R C 1.815 177.918 176.300 -0.329 0.000 1.135 43 R CA 1.905 57.488 56.100 -0.862 0.000 0.967 43 R CB -0.553 29.112 30.300 -1.059 0.000 0.861 43 R HN 0.741 nan 8.270 nan 0.000 0.442 44 E N 0.131 120.205 120.200 -0.209 0.000 2.107 44 E HA -0.122 4.228 4.350 0.001 0.000 0.191 44 E C 1.540 178.113 176.600 -0.045 0.000 0.982 44 E CA 1.009 57.348 56.400 -0.102 0.000 0.809 44 E CB -0.132 29.523 29.700 -0.075 0.000 0.756 44 E HN 0.260 nan 8.360 nan 0.000 0.459 45 D N 0.006 120.395 120.400 -0.019 0.000 2.144 45 D HA -0.114 4.526 4.640 0.001 0.000 0.199 45 D C 1.958 178.274 176.300 0.028 0.000 0.984 45 D CA 0.785 54.798 54.000 0.022 0.000 0.834 45 D CB -0.172 40.667 40.800 0.065 0.000 0.955 45 D HN 0.043 nan 8.370 nan 0.000 0.465 46 V N 1.095 121.034 119.914 0.042 0.000 2.287 46 V HA -0.249 3.871 4.120 0.001 0.000 0.248 46 V C 2.498 178.591 176.094 -0.002 0.000 1.053 46 V CA 1.832 64.165 62.300 0.055 0.000 1.027 46 V CB -0.463 31.443 31.823 0.138 0.000 0.646 46 V HN 0.098 nan 8.190 nan 0.000 0.447 47 E N 0.548 120.754 120.200 0.010 0.000 2.118 47 E HA -0.246 4.104 4.350 0.001 0.000 0.195 47 E C 2.328 178.923 176.600 -0.009 0.000 0.992 47 E CA 1.620 58.038 56.400 0.030 0.000 0.804 47 E CB -0.350 29.375 29.700 0.041 0.000 0.741 47 E HN 0.473 nan 8.360 nan 0.000 0.458 48 R N -0.437 120.056 120.500 -0.012 0.000 2.075 48 R HA -0.061 4.279 4.340 0.001 0.000 0.232 48 R C 2.124 178.407 176.300 -0.028 0.000 1.126 48 R CA 1.349 57.440 56.100 -0.016 0.000 0.963 48 R CB -0.344 29.949 30.300 -0.011 0.000 0.858 48 R HN 0.238 nan 8.270 nan 0.000 0.435 49 A N 0.200 123.001 122.820 -0.032 0.000 1.969 49 A HA -0.047 4.274 4.320 0.001 0.000 0.218 49 A C 2.202 179.744 177.584 -0.071 0.000 1.169 49 A CA 1.182 53.194 52.037 -0.043 0.000 0.635 49 A CB -0.292 18.691 19.000 -0.029 0.000 0.810 49 A HN 0.219 nan 8.150 nan 0.000 0.445 50 V N -0.036 119.809 119.914 -0.115 0.000 2.307 50 V HA -0.238 3.883 4.120 0.001 0.000 0.245 50 V C 2.730 178.773 176.094 -0.085 0.000 1.045 50 V CA 1.975 64.173 62.300 -0.170 0.000 1.024 50 V CB -0.674 30.894 31.823 -0.425 0.000 0.651 50 V HN 0.520 nan 8.190 nan 0.000 0.449 51 Q N -0.350 119.419 119.800 -0.051 0.000 2.084 51 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 51 Q C 2.580 178.570 176.000 -0.017 0.000 0.978 51 Q CA 1.951 57.744 55.803 -0.017 0.000 0.844 51 Q CB -0.819 27.917 28.738 -0.004 0.000 0.898 51 Q HN 0.630 nan 8.270 nan 0.000 0.426 52 S N 0.507 116.191 115.700 -0.026 0.000 2.359 52 S HA -0.168 4.302 4.470 0.001 0.000 0.224 52 S C 1.988 176.575 174.600 -0.021 0.000 1.035 52 S CA 1.458 59.643 58.200 -0.025 0.000 1.018 52 S CB -0.145 63.034 63.200 -0.037 0.000 0.876 52 S HN 0.424 nan 8.310 nan 0.000 0.448 53 A N 0.736 123.538 122.820 -0.029 0.000 1.902 53 A HA 0.001 4.322 4.320 0.001 0.000 0.217 53 A C 2.375 179.959 177.584 0.001 0.000 1.181 53 A CA 1.766 53.791 52.037 -0.022 0.000 0.623 53 A CB -1.087 17.893 19.000 -0.033 0.000 0.818 53 A HN 0.468 nan 8.150 nan 0.000 0.443 54 V N 0.291 120.206 119.914 0.001 0.000 2.332 54 V HA -0.226 3.894 4.120 0.001 0.000 0.248 54 V C 2.613 178.725 176.094 0.029 0.000 1.055 54 V CA 2.247 64.559 62.300 0.019 0.000 1.038 54 V CB -0.653 31.180 31.823 0.018 0.000 0.651 54 V HN 0.520 nan 8.190 nan 0.000 0.450 55 E N 0.470 120.682 120.200 0.020 0.000 2.072 55 E HA -0.088 4.262 4.350 0.001 0.000 0.190 55 E C 2.364 178.987 176.600 0.039 0.000 0.982 55 E CA 1.343 57.759 56.400 0.027 0.000 0.803 55 E CB -0.864 28.846 29.700 0.016 0.000 0.755 55 E HN 0.584 nan 8.360 nan 0.000 0.453 56 G N 1.506 110.324 108.800 0.030 0.000 2.418 56 G HA2 -0.303 3.657 3.960 0.001 0.000 0.217 56 G HA3 -0.303 3.657 3.960 0.001 0.000 0.217 56 G C 1.508 176.462 174.900 0.090 0.000 1.158 56 G CA 0.627 45.751 45.100 0.040 0.000 0.771 56 G HN 0.179 nan 8.290 nan 0.000 0.545 57 Q N 0.716 120.567 119.800 0.086 0.000 2.135 57 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 57 Q C 2.440 178.536 176.000 0.161 0.000 0.981 57 Q CA 1.573 57.465 55.803 0.148 0.000 0.856 57 Q CB -0.226 28.578 28.738 0.109 0.000 0.902 57 Q HN 0.494 nan 8.270 nan 0.000 0.425 58 K N -0.560 119.903 120.400 0.104 0.000 2.026 58 K HA -0.112 4.209 4.320 0.001 0.000 0.208 58 K C 2.203 178.859 176.600 0.094 0.000 1.048 58 K CA 1.547 57.883 56.287 0.082 0.000 0.929 58 K CB -0.076 32.458 32.500 0.056 0.000 0.713 58 K HN 0.040 nan 8.250 nan 0.000 0.439 59 V N 0.735 120.716 119.914 0.112 0.000 2.295 59 V HA -0.266 3.855 4.120 0.001 0.000 0.246 59 V C 1.962 178.167 176.094 0.184 0.000 1.049 59 V CA 1.641 64.014 62.300 0.122 0.000 1.024 59 V CB -0.611 31.283 31.823 0.118 0.000 0.648 59 V HN 0.542 nan 8.190 nan 0.000 0.447 60 W N 0.828 122.126 121.300 -0.003 0.000 2.358 60 W HA -0.218 4.443 4.660 0.001 0.000 0.303 60 W C 2.356 178.869 176.519 -0.009 0.000 1.208 60 W CA 1.533 58.872 57.345 -0.010 0.000 1.274 60 W CB -0.034 29.416 29.460 -0.018 0.000 1.138 60 W HN 0.296 nan 8.180 nan 0.000 0.515 61 A N 0.262 123.106 122.820 0.039 0.000 2.119 61 A HA 0.088 4.408 4.320 0.001 0.000 0.217 61 A C 1.935 179.464 177.584 -0.092 0.000 1.153 61 A CA 1.536 53.519 52.037 -0.090 0.000 0.692 61 A CB -0.914 18.088 19.000 0.003 0.000 0.799 61 A HN 0.283 nan 8.150 nan 0.000 0.458 62 A N -0.752 122.044 122.820 -0.040 0.000 2.072 62 A HA 0.293 4.613 4.320 0.001 0.000 0.216 62 A C 1.308 178.854 177.584 -0.064 0.000 1.156 62 A CA 0.178 52.194 52.037 -0.035 0.000 0.701 62 A CB -0.369 18.632 19.000 0.001 0.000 0.816 62 A HN 0.528 nan 8.150 nan 0.000 0.458 63 M N 0.784 120.325 119.600 -0.098 0.000 2.228 63 M HA 0.099 4.579 4.480 0.001 0.000 0.303 63 M C 1.211 177.415 176.300 -0.161 0.000 1.099 63 M CA 0.372 55.596 55.300 -0.126 0.000 1.171 63 M CB 0.373 32.859 32.600 -0.190 0.000 1.412 63 M HN 0.495 nan 8.290 nan 0.000 0.447 64 T N -0.894 113.579 114.554 -0.135 0.000 2.754 64 T HA 0.413 4.763 4.350 0.001 0.000 0.286 64 T C 1.022 175.612 174.700 -0.182 0.000 0.997 64 T CA -0.355 61.666 62.100 -0.132 0.000 0.982 64 T CB 0.916 69.732 68.868 -0.087 0.000 1.027 64 T HN 0.676 nan 8.240 nan 0.000 0.529 65 A N 0.806 123.537 122.820 -0.148 0.000 1.877 65 A HA -0.019 4.301 4.320 0.001 0.000 0.216 65 A C 2.295 179.798 177.584 -0.135 0.000 1.186 65 A CA 1.955 53.899 52.037 -0.155 0.000 0.620 65 A CB -1.022 17.914 19.000 -0.106 0.000 0.822 65 A HN 0.819 nan 8.150 nan 0.000 0.443 66 M N -0.127 119.416 119.600 -0.094 0.000 2.229 66 M HA -0.116 4.365 4.480 0.001 0.000 0.264 66 M C 2.052 178.314 176.300 -0.064 0.000 1.063 66 M CA 1.554 56.814 55.300 -0.065 0.000 1.114 66 M CB -0.687 31.887 32.600 -0.045 0.000 1.387 66 M HN 0.538 nan 8.290 nan 0.000 0.420 67 Q N -0.778 118.971 119.800 -0.086 0.000 2.084 67 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 67 Q C 2.225 178.173 176.000 -0.087 0.000 0.978 67 Q CA 1.677 57.437 55.803 -0.071 0.000 0.844 67 Q CB -0.206 28.486 28.738 -0.076 0.000 0.898 67 Q HN 0.519 nan 8.270 nan 0.000 0.426 68 R N -0.095 120.259 120.500 -0.244 0.000 2.073 68 R HA -0.109 4.231 4.340 0.001 0.000 0.234 68 R C 2.605 178.891 176.300 -0.023 0.000 1.134 68 R CA 1.387 57.268 56.100 -0.365 0.000 0.952 68 R CB -0.501 29.309 30.300 -0.816 0.000 0.850 68 R HN 0.144 nan 8.270 nan 0.000 0.433 69 S N 0.652 116.324 115.700 -0.047 0.000 2.374 69 S HA -0.187 4.284 4.470 0.001 0.000 0.227 69 S C 1.950 176.581 174.600 0.051 0.000 1.037 69 S CA 1.394 59.603 58.200 0.015 0.000 1.024 69 S CB -0.035 63.156 63.200 -0.016 0.000 0.861 69 S HN 0.271 nan 8.310 nan 0.000 0.456 70 R N -0.031 120.492 120.500 0.039 0.000 2.092 70 R HA 0.104 4.445 4.340 0.001 0.000 0.231 70 R C 2.322 178.676 176.300 0.090 0.000 1.119 70 R CA 1.626 57.758 56.100 0.053 0.000 0.970 70 R CB -0.384 29.938 30.300 0.036 0.000 0.864 70 R HN 0.475 nan 8.270 nan 0.000 0.440 71 I N 0.669 121.321 120.570 0.138 0.000 2.252 71 I HA -0.259 3.911 4.170 0.001 0.000 0.245 71 I C 2.064 178.291 176.117 0.184 0.000 1.102 71 I CA 1.165 62.575 61.300 0.183 0.000 1.385 71 I CB -0.154 38.022 38.000 0.293 0.000 1.064 71 I HN 0.130 nan 8.210 nan 0.000 0.414 72 L N 0.046 121.399 121.223 0.216 0.000 2.083 72 L HA -0.208 4.132 4.340 0.001 0.000 0.209 72 L C 2.691 179.642 176.870 0.135 0.000 1.083 72 L CA 1.358 56.313 54.840 0.192 0.000 0.752 72 L CB -0.597 41.583 42.059 0.203 0.000 0.899 72 L HN 0.170 nan 8.230 nan 0.000 0.433 73 R N -0.289 120.274 120.500 0.104 0.000 2.092 73 R HA -0.170 4.170 4.340 0.001 0.000 0.231 73 R C 2.428 178.765 176.300 0.063 0.000 1.119 73 R CA 1.082 57.226 56.100 0.073 0.000 0.970 73 R CB -0.200 30.133 30.300 0.055 0.000 0.864 73 R HN 0.094 nan 8.270 nan 0.000 0.440 74 R N 0.843 121.385 120.500 0.069 0.000 2.096 74 R HA -0.028 4.313 4.340 0.001 0.000 0.235 74 R C 1.838 178.166 176.300 0.047 0.000 1.127 74 R CA 1.851 57.984 56.100 0.056 0.000 0.968 74 R CB -0.674 29.664 30.300 0.064 0.000 0.861 74 R HN 0.230 nan 8.270 nan 0.000 0.440 75 A N -0.201 122.659 122.820 0.067 0.000 1.902 75 A HA -0.089 4.232 4.320 0.001 0.000 0.217 75 A C 2.335 179.914 177.584 -0.008 0.000 1.181 75 A CA 1.724 53.780 52.037 0.031 0.000 0.623 75 A CB -0.744 18.320 19.000 0.106 0.000 0.818 75 A HN 0.176 nan 8.150 nan 0.000 0.443 76 V N 0.857 120.787 119.914 0.027 0.000 2.287 76 V HA -0.290 3.830 4.120 0.001 0.000 0.248 76 V C 2.212 178.310 176.094 0.008 0.000 1.053 76 V CA 2.392 64.703 62.300 0.019 0.000 1.027 76 V CB -0.897 30.951 31.823 0.043 0.000 0.646 76 V HN 0.520 nan 8.190 nan 0.000 0.447 77 D N 0.006 120.415 120.400 0.015 0.000 2.123 77 D HA -0.158 4.483 4.640 0.001 0.000 0.196 77 D C 2.028 178.327 176.300 -0.001 0.000 0.992 77 D CA 1.495 55.502 54.000 0.011 0.000 0.833 77 D CB -0.265 40.545 40.800 0.017 0.000 0.954 77 D HN 0.434 nan 8.370 nan 0.000 0.455 78 I N 0.383 120.947 120.570 -0.010 0.000 2.252 78 I HA -0.219 3.952 4.170 0.001 0.000 0.245 78 I C 2.412 178.506 176.117 -0.038 0.000 1.102 78 I CA 0.569 61.855 61.300 -0.024 0.000 1.385 78 I CB -0.162 37.818 38.000 -0.033 0.000 1.064 78 I HN -0.035 nan 8.210 nan 0.000 0.414 79 L N 0.209 121.401 121.223 -0.052 0.000 2.042 79 L HA -0.209 4.131 4.340 0.001 0.000 0.210 79 L C 2.829 179.684 176.870 -0.026 0.000 1.076 79 L CA 1.186 55.993 54.840 -0.056 0.000 0.749 79 L CB -0.623 41.395 42.059 -0.069 0.000 0.893 79 L HN 0.214 nan 8.230 nan 0.000 0.432 80 R N 0.288 120.782 120.500 -0.010 0.000 2.081 80 R HA -0.149 4.191 4.340 0.001 0.000 0.235 80 R C 2.037 178.337 176.300 -0.000 0.000 1.131 80 R CA 1.257 57.358 56.100 0.001 0.000 0.960 80 R CB -0.697 29.609 30.300 0.009 0.000 0.856 80 R HN 0.517 nan 8.270 nan 0.000 0.436 81 E N 0.499 120.696 120.200 -0.004 0.000 2.085 81 E HA -0.137 4.213 4.350 0.001 0.000 0.194 81 E C 1.600 178.196 176.600 -0.006 0.000 0.994 81 E CA 1.042 57.441 56.400 -0.003 0.000 0.801 81 E CB -0.013 29.685 29.700 -0.003 0.000 0.743 81 E HN 0.289 nan 8.360 nan 0.000 0.453 82 R N 0.715 121.206 120.500 -0.015 0.000 2.427 82 R HA 0.115 4.455 4.340 0.001 0.000 0.262 82 R C 1.662 177.951 176.300 -0.018 0.000 0.943 82 R CA -0.196 55.893 56.100 -0.019 0.000 1.081 82 R CB -0.100 30.181 30.300 -0.031 0.000 1.166 82 R HN 0.196 nan 8.270 nan 0.000 0.534 83 N N 2.155 120.849 118.700 -0.011 0.000 2.064 83 N HA -0.253 4.487 4.740 0.001 0.000 0.200 83 N C 0.578 176.087 175.510 -0.001 0.000 1.028 83 N CA 2.197 55.244 53.050 -0.004 0.000 0.880 83 N CB 0.094 38.585 38.487 0.007 0.000 1.062 83 N HN 0.142 nan 8.380 nan 0.000 0.454 84 D N 0.293 120.695 120.400 0.003 0.000 2.117 84 D HA -0.148 4.493 4.640 0.001 0.000 0.198 84 D C 1.861 178.164 176.300 0.004 0.000 0.982 84 D CA 0.842 54.846 54.000 0.007 0.000 0.828 84 D CB -0.462 40.344 40.800 0.010 0.000 0.967 84 D HN 0.586 nan 8.370 nan 0.000 0.464 85 E N 0.513 120.713 120.200 -0.000 0.000 2.072 85 E HA -0.147 4.204 4.350 0.001 0.000 0.191 85 E C 2.120 178.713 176.600 -0.011 0.000 0.985 85 E CA 0.610 57.008 56.400 -0.002 0.000 0.801 85 E CB -0.139 29.556 29.700 -0.008 0.000 0.750 85 E HN 0.242 nan 8.360 nan 0.000 0.452 86 L N 0.594 121.805 121.223 -0.020 0.000 2.109 86 L HA -0.077 4.264 4.340 0.001 0.000 0.207 86 L C 2.784 179.644 176.870 -0.017 0.000 1.086 86 L CA 0.925 55.747 54.840 -0.029 0.000 0.760 86 L CB -0.464 41.570 42.059 -0.042 0.000 0.910 86 L HN 0.208 nan 8.230 nan 0.000 0.437 87 A N 0.310 123.124 122.820 -0.009 0.000 1.883 87 A HA -0.221 4.099 4.320 0.001 0.000 0.217 87 A C 2.562 180.145 177.584 -0.001 0.000 1.186 87 A CA 1.862 53.896 52.037 -0.006 0.000 0.624 87 A CB -0.805 18.195 19.000 0.001 0.000 0.822 87 A HN 0.392 nan 8.150 nan 0.000 0.444 88 A N -0.674 122.153 122.820 0.010 0.000 1.908 88 A HA -0.102 4.218 4.320 0.001 0.000 0.218 88 A C 2.152 179.762 177.584 0.043 0.000 1.181 88 A CA 1.901 53.954 52.037 0.027 0.000 0.627 88 A CB -0.602 18.420 19.000 0.037 0.000 0.818 88 A HN 0.700 nan 8.150 nan 0.000 0.445 89 L N -0.457 120.786 121.223 0.033 0.000 2.072 89 L HA -0.057 4.283 4.340 0.001 0.000 0.205 89 L C 2.210 179.105 176.870 0.042 0.000 1.079 89 L CA 2.591 57.459 54.840 0.046 0.000 0.752 89 L CB -0.623 41.425 42.059 -0.017 0.000 0.906 89 L HN 0.466 nan 8.230 nan 0.000 0.436 90 E N -1.046 119.160 120.200 0.011 0.000 2.077 90 E HA -0.181 4.169 4.350 0.001 0.000 0.193 90 E C 2.029 178.622 176.600 -0.012 0.000 0.989 90 E CA 1.821 58.220 56.400 -0.002 0.000 0.800 90 E CB -0.269 29.414 29.700 -0.028 0.000 0.746 90 E HN 0.483 nan 8.360 nan 0.000 0.452 91 T N 0.822 115.367 114.554 -0.015 0.000 2.684 91 T HA -0.155 4.196 4.350 0.001 0.000 0.267 91 T C 1.784 176.484 174.700 -0.001 0.000 1.036 91 T CA 1.408 63.494 62.100 -0.024 0.000 1.148 91 T CB -0.298 68.561 68.868 -0.015 0.000 0.863 91 T HN 0.133 nan 8.240 nan 0.000 0.436 92 L N 0.669 121.915 121.223 0.038 0.000 2.012 92 L HA -0.150 4.191 4.340 0.001 0.000 0.210 92 L C 2.528 179.430 176.870 0.053 0.000 1.073 92 L CA 1.447 56.322 54.840 0.058 0.000 0.748 92 L CB -0.501 41.632 42.059 0.123 0.000 0.891 92 L HN 0.193 nan 8.230 nan 0.000 0.431 93 D N -1.055 119.383 120.400 0.063 0.000 2.234 93 D HA -0.109 4.531 4.640 0.001 0.000 0.205 93 D C 2.001 178.320 176.300 0.031 0.000 0.962 93 D CA 1.513 55.553 54.000 0.068 0.000 0.855 93 D CB 0.284 41.137 40.800 0.088 0.000 0.951 93 D HN 0.376 nan 8.370 nan 0.000 0.500 94 T N -5.157 109.396 114.554 -0.001 0.000 2.969 94 T HA 0.348 4.699 4.350 0.001 0.000 0.250 94 T C 1.713 176.362 174.700 -0.085 0.000 1.021 94 T CA 0.708 62.793 62.100 -0.024 0.000 1.003 94 T CB 0.829 69.679 68.868 -0.030 0.000 1.040 94 T HN 0.081 nan 8.240 nan 0.000 0.492 95 G N 2.006 110.753 108.800 -0.089 0.000 2.199 95 G HA2 -0.248 3.713 3.960 0.001 0.000 0.254 95 G HA3 -0.248 3.713 3.960 0.001 0.000 0.254 95 G C 0.036 174.835 174.900 -0.168 0.000 0.982 95 G CA 0.128 45.146 45.100 -0.136 0.000 0.632 95 G HN 0.677 nan 8.290 nan 0.000 0.529 96 K N 1.374 121.673 120.400 -0.168 0.000 2.382 96 K HA 0.333 4.654 4.320 0.001 0.000 0.275 96 K C -2.356 174.145 176.600 -0.164 0.000 1.009 96 K CA -1.390 54.768 56.287 -0.216 0.000 0.970 96 K CB 0.521 32.863 32.500 -0.262 0.000 0.934 96 K HN 0.077 nan 8.250 nan 0.000 0.479 97 P HA -0.085 nan 4.420 nan 0.000 0.266 97 P C 0.662 177.914 177.300 -0.080 0.000 1.195 97 P CA -0.187 62.850 63.100 -0.106 0.000 0.768 97 P CB 0.413 32.044 31.700 -0.116 0.000 0.838 98 L N 4.071 125.273 121.223 -0.036 0.000 2.043 98 L HA -0.250 4.090 4.340 0.001 0.000 0.212 98 L C 2.284 179.150 176.870 -0.007 0.000 1.075 98 L CA 2.273 57.104 54.840 -0.015 0.000 0.752 98 L CB -1.848 40.213 42.059 0.003 0.000 0.891 98 L HN 0.452 nan 8.230 nan 0.000 0.432 99 A N -1.464 121.353 122.820 -0.005 0.000 2.024 99 A HA -0.215 4.106 4.320 0.001 0.000 0.220 99 A C 2.187 179.791 177.584 0.035 0.000 1.164 99 A CA 1.809 53.858 52.037 0.019 0.000 0.643 99 A CB -0.359 18.656 19.000 0.024 0.000 0.806 99 A HN 0.598 nan 8.150 nan 0.000 0.451 100 E N -0.975 119.215 120.200 -0.017 0.000 2.075 100 E HA -0.092 4.259 4.350 0.001 0.000 0.190 100 E C 2.303 178.925 176.600 0.038 0.000 0.969 100 E CA 1.295 57.705 56.400 0.016 0.000 0.815 100 E CB -0.302 29.279 29.700 -0.197 0.000 0.776 100 E HN 0.792 nan 8.360 nan 0.000 0.457 101 T N -0.040 114.499 114.554 -0.025 0.000 2.833 101 T HA -0.095 4.256 4.350 0.001 0.000 0.269 101 T C 1.841 176.551 174.700 0.017 0.000 1.054 101 T CA 0.691 62.779 62.100 -0.019 0.000 1.135 101 T CB -0.191 68.649 68.868 -0.046 0.000 0.869 101 T HN -0.002 nan 8.240 nan 0.000 0.466 102 R N 1.295 121.810 120.500 0.024 0.000 2.236 102 R HA 0.085 4.426 4.340 0.001 0.000 0.208 102 R C 2.464 178.792 176.300 0.047 0.000 1.036 102 R CA 1.366 57.484 56.100 0.030 0.000 1.001 102 R CB -0.132 30.184 30.300 0.027 0.000 0.896 102 R HN 0.696 nan 8.270 nan 0.000 0.464 103 S N -1.838 113.904 115.700 0.070 0.000 2.589 103 S HA 0.139 4.609 4.470 0.001 0.000 0.235 103 S C 1.470 176.135 174.600 0.108 0.000 1.051 103 S CA -0.381 57.869 58.200 0.084 0.000 0.978 103 S CB 0.626 63.882 63.200 0.093 0.000 0.929 103 S HN -0.020 nan 8.310 nan 0.000 0.523 104 V N 1.712 121.708 119.914 0.137 0.000 3.001 104 V HA 0.142 4.262 4.120 0.001 0.000 0.228 104 V C 1.746 177.936 176.094 0.160 0.000 1.204 104 V CA 1.143 63.550 62.300 0.177 0.000 1.247 104 V CB -0.590 31.414 31.823 0.301 0.000 1.093 104 V HN 0.254 nan 8.190 nan 0.000 0.504 105 D N 0.864 121.350 120.400 0.143 0.000 2.103 105 D HA -0.188 4.453 4.640 0.001 0.000 0.190 105 D C 1.821 178.160 176.300 0.065 0.000 0.997 105 D CA 1.842 55.911 54.000 0.114 0.000 0.833 105 D CB -0.129 40.687 40.800 0.028 0.000 0.961 105 D HN 0.373 nan 8.370 nan 0.000 0.447 106 I N -0.274 120.323 120.570 0.044 0.000 2.480 106 I HA -0.125 4.045 4.170 0.001 0.000 0.251 106 I C 2.203 178.353 176.117 0.054 0.000 1.124 106 I CA 0.355 61.672 61.300 0.027 0.000 1.444 106 I CB -0.086 37.915 38.000 0.002 0.000 1.098 106 I HN -0.088 nan 8.210 nan 0.000 0.428 107 V N 0.776 120.730 119.914 0.067 0.000 2.287 107 V HA -0.325 3.796 4.120 0.001 0.000 0.248 107 V C 2.619 178.779 176.094 0.109 0.000 1.053 107 V CA 2.649 64.994 62.300 0.076 0.000 1.027 107 V CB -1.294 30.573 31.823 0.074 0.000 0.646 107 V HN 0.665 nan 8.190 nan 0.000 0.447 108 T N -2.552 112.093 114.554 0.151 0.000 3.054 108 T HA 0.082 4.432 4.350 0.001 0.000 0.259 108 T C 1.897 176.842 174.700 0.409 0.000 1.092 108 T CA 1.003 63.251 62.100 0.247 0.000 1.121 108 T CB -0.101 68.935 68.868 0.280 0.000 0.912 108 T HN 0.439 nan 8.240 nan 0.000 0.489 109 G N 1.547 110.512 108.800 0.275 0.000 2.414 109 G HA2 0.067 4.028 3.960 0.001 0.000 0.215 109 G HA3 0.067 4.028 3.960 0.001 0.000 0.215 109 G C 1.898 176.944 174.900 0.243 0.000 1.188 109 G CA 0.729 46.006 45.100 0.294 0.000 0.783 109 G HN 0.687 nan 8.290 nan 0.000 0.537 110 A N 1.030 123.929 122.820 0.132 0.000 1.933 110 A HA -0.038 4.282 4.320 0.001 0.000 0.218 110 A C 2.071 179.716 177.584 0.101 0.000 1.175 110 A CA 2.064 54.153 52.037 0.087 0.000 0.628 110 A CB -0.468 18.559 19.000 0.044 0.000 0.814 110 A HN 0.274 nan 8.150 nan 0.000 0.444 111 D N -0.236 120.229 120.400 0.108 0.000 2.149 111 D HA -0.140 4.500 4.640 0.001 0.000 0.194 111 D C 1.943 178.266 176.300 0.038 0.000 1.001 111 D CA 1.574 55.614 54.000 0.067 0.000 0.849 111 D CB -0.335 40.498 40.800 0.055 0.000 0.939 111 D HN 0.247 nan 8.370 nan 0.000 0.449 112 V N 0.572 120.522 119.914 0.060 0.000 2.488 112 V HA -0.141 3.979 4.120 0.001 0.000 0.246 112 V C 2.310 178.483 176.094 0.132 0.000 1.046 112 V CA 0.708 62.988 62.300 -0.032 0.000 1.053 112 V CB -0.241 31.466 31.823 -0.193 0.000 0.679 112 V HN 0.129 nan 8.190 nan 0.000 0.458 113 L N 0.491 121.822 121.223 0.180 0.000 2.046 113 L HA -0.153 4.188 4.340 0.001 0.000 0.208 113 L C 2.342 179.309 176.870 0.161 0.000 1.077 113 L CA 2.223 57.184 54.840 0.201 0.000 0.747 113 L CB -0.695 41.456 42.059 0.153 0.000 0.896 113 L HN 0.428 nan 8.230 nan 0.000 0.432 114 E N -1.761 118.507 120.200 0.115 0.000 2.077 114 E HA -0.306 4.045 4.350 0.001 0.000 0.193 114 E C 2.198 178.849 176.600 0.085 0.000 0.989 114 E CA 1.418 57.871 56.400 0.088 0.000 0.800 114 E CB -0.379 29.362 29.700 0.069 0.000 0.746 114 E HN 0.615 nan 8.360 nan 0.000 0.452 115 Y N -0.022 120.218 120.300 -0.099 0.000 2.097 115 Y HA -0.300 4.250 4.550 0.001 0.000 0.282 115 Y C 1.772 177.565 175.900 -0.179 0.000 1.152 115 Y CA 2.024 60.000 58.100 -0.207 0.000 1.136 115 Y CB -0.535 37.685 38.460 -0.400 0.000 0.975 115 Y HN 0.137 nan 8.280 nan 0.000 0.498 116 Y N -0.277 120.024 120.300 0.001 0.000 2.263 116 Y HA -0.050 4.500 4.550 0.001 0.000 0.292 116 Y C 2.669 178.527 175.900 -0.070 0.000 1.130 116 Y CA 0.825 58.864 58.100 -0.101 0.000 1.179 116 Y CB -1.282 37.180 38.460 0.003 0.000 0.998 116 Y HN 0.240 nan 8.280 nan 0.000 0.532 117 A N 0.271 123.172 122.820 0.134 0.000 1.903 117 A HA -0.223 4.098 4.320 0.001 0.000 0.219 117 A C 2.612 180.210 177.584 0.023 0.000 1.191 117 A CA 2.086 54.176 52.037 0.088 0.000 0.638 117 A CB -1.510 17.545 19.000 0.091 0.000 0.823 117 A HN 0.470 nan 8.150 nan 0.000 0.451 118 G N -0.924 107.864 108.800 -0.020 0.000 2.471 118 G HA2 0.015 3.975 3.960 0.001 0.000 0.219 118 G HA3 0.015 3.975 3.960 0.001 0.000 0.219 118 G C 1.312 176.161 174.900 -0.084 0.000 1.125 118 G CA 0.893 45.961 45.100 -0.054 0.000 0.775 118 G HN 0.466 nan 8.290 nan 0.000 0.548 119 L N 0.561 121.720 121.223 -0.107 0.000 2.607 119 L HA 0.125 4.466 4.340 0.001 0.000 0.228 119 L C 2.461 179.303 176.870 -0.046 0.000 1.123 119 L CA -0.325 54.451 54.840 -0.106 0.000 0.890 119 L CB 0.303 42.261 42.059 -0.168 0.000 1.103 119 L HN -0.004 nan 8.230 nan 0.000 0.468 120 V N 0.801 120.697 119.914 -0.030 0.000 2.324 120 V HA -0.191 3.930 4.120 0.001 0.000 0.250 120 V C -0.329 175.732 176.094 -0.055 0.000 1.060 120 V CA 1.923 64.198 62.300 -0.041 0.000 1.042 120 V CB -1.481 30.306 31.823 -0.059 0.000 0.650 120 V HN 0.404 nan 8.190 nan 0.000 0.450 121 P HA 0.090 nan 4.420 nan 0.000 0.241 121 P C 0.931 178.206 177.300 -0.042 0.000 1.191 121 P CA 1.145 64.215 63.100 -0.051 0.000 0.771 121 P CB -0.001 31.671 31.700 -0.047 0.000 0.929 122 A N -0.804 121.992 122.820 -0.040 0.000 2.308 122 A HA 0.167 4.488 4.320 0.001 0.000 0.217 122 A C 0.838 178.407 177.584 -0.024 0.000 1.216 122 A CA -0.157 51.860 52.037 -0.033 0.000 0.864 122 A CB -0.744 18.231 19.000 -0.041 0.000 0.902 122 A HN 0.099 nan 8.150 nan 0.000 0.499 123 I N 1.662 122.218 120.570 -0.024 0.000 2.421 123 I HA 0.123 4.293 4.170 0.001 0.000 0.291 123 I C -0.111 175.999 176.117 -0.012 0.000 1.089 123 I CA 0.474 61.765 61.300 -0.015 0.000 1.354 123 I CB 0.376 38.366 38.000 -0.016 0.000 1.413 123 I HN 0.301 nan 8.210 nan 0.000 0.513 124 E N 3.932 124.129 120.200 -0.005 0.000 2.343 124 E HA 0.551 4.902 4.350 0.001 0.000 0.270 124 E C -0.055 176.554 176.600 0.014 0.000 0.895 124 E CA -0.807 55.595 56.400 0.004 0.000 0.767 124 E CB 2.199 31.899 29.700 0.001 0.000 1.248 124 E HN 0.633 nan 8.360 nan 0.000 0.440 125 G N 0.971 109.792 108.800 0.034 0.000 2.531 125 G HA2 0.390 4.351 3.960 0.001 0.000 0.281 125 G HA3 0.390 4.351 3.960 0.001 0.000 0.281 125 G C -0.490 174.444 174.900 0.058 0.000 1.382 125 G CA -0.306 44.824 45.100 0.050 0.000 1.045 125 G HN 0.452 nan 8.290 nan 0.000 0.533 126 E N -1.014 119.231 120.200 0.075 0.000 2.281 126 E HA 0.467 4.817 4.350 0.001 0.000 0.262 126 E C -0.884 175.795 176.600 0.133 0.000 0.933 126 E CA -0.744 55.702 56.400 0.077 0.000 0.809 126 E CB 2.074 31.806 29.700 0.052 0.000 1.242 126 E HN 0.256 nan 8.360 nan 0.000 0.418 127 Q N 1.795 121.670 119.800 0.125 0.000 2.304 127 Q HA 0.426 4.766 4.340 0.001 0.000 0.270 127 Q C -1.780 174.309 176.000 0.148 0.000 1.035 127 Q CA -0.640 55.275 55.803 0.188 0.000 0.781 127 Q CB 1.436 30.273 28.738 0.165 0.000 1.261 127 Q HN 0.577 nan 8.270 nan 0.000 0.444 128 I N 5.684 126.364 120.570 0.185 0.000 2.468 128 I HA 0.370 4.541 4.170 0.001 0.000 0.285 128 I C -2.400 173.823 176.117 0.178 0.000 1.039 128 I CA -1.967 59.413 61.300 0.132 0.000 1.074 128 I CB 2.216 40.268 38.000 0.086 0.000 1.228 128 I HN 0.325 nan 8.210 nan 0.000 0.436 129 P HA 0.294 nan 4.420 nan 0.000 0.281 129 P C 0.177 177.542 177.300 0.108 0.000 1.252 129 P CA -0.241 62.947 63.100 0.145 0.000 0.778 129 P CB 1.093 32.834 31.700 0.069 0.000 0.895 130 L N 2.573 123.867 121.223 0.119 0.000 2.269 130 L HA 0.290 4.630 4.340 0.001 0.000 0.200 130 L C 1.301 178.207 176.870 0.060 0.000 1.069 130 L CA 0.647 55.532 54.840 0.074 0.000 0.804 130 L CB -0.212 41.885 42.059 0.064 0.000 0.987 130 L HN 0.481 nan 8.230 nan 0.000 0.468 131 R N -1.413 119.131 120.500 0.074 0.000 2.764 131 R HA 0.149 4.489 4.340 0.001 0.000 0.276 131 R C 0.221 176.560 176.300 0.066 0.000 1.021 131 R CA -0.708 55.425 56.100 0.055 0.000 0.870 131 R CB 0.908 31.234 30.300 0.043 0.000 1.293 131 R HN -0.213 nan 8.270 nan 0.000 0.469 132 E N 0.404 120.632 120.200 0.047 0.000 2.160 132 E HA -0.123 4.227 4.350 0.001 0.000 0.195 132 E C 0.616 177.257 176.600 0.068 0.000 0.991 132 E CA 2.146 58.573 56.400 0.044 0.000 0.810 132 E CB 0.135 29.851 29.700 0.027 0.000 0.742 132 E HN 0.676 nan 8.360 nan 0.000 0.466 133 T N -2.150 112.449 114.554 0.075 0.000 3.145 133 T HA 0.241 4.592 4.350 0.001 0.000 0.255 133 T C 0.303 175.077 174.700 0.123 0.000 1.039 133 T CA -0.293 61.861 62.100 0.090 0.000 0.928 133 T CB 0.540 69.447 68.868 0.065 0.000 1.029 133 T HN -0.045 nan 8.240 nan 0.000 0.554 134 S N 0.545 116.339 115.700 0.158 0.000 2.542 134 S HA 0.666 5.136 4.470 0.001 0.000 0.276 134 S C -1.758 173.006 174.600 0.274 0.000 1.148 134 S CA -1.095 57.209 58.200 0.172 0.000 0.886 134 S CB 0.906 64.153 63.200 0.078 0.000 1.109 134 S HN 0.527 nan 8.310 nan 0.000 0.458 135 F N 2.177 122.156 119.950 0.049 0.000 2.662 135 F HA 0.885 5.412 4.527 0.001 0.000 0.312 135 F C -0.856 174.984 175.800 0.067 0.000 1.113 135 F CA -1.128 56.906 58.000 0.056 0.000 0.951 135 F CB 1.153 40.193 39.000 0.066 0.000 1.344 135 F HN 0.489 nan 8.300 nan 0.000 0.462 136 V N 1.433 121.379 119.914 0.054 0.000 2.864 136 V HA 0.846 4.966 4.120 0.001 0.000 0.314 136 V C -1.762 174.420 176.094 0.147 0.000 1.073 136 V CA -0.877 61.370 62.300 -0.089 0.000 0.956 136 V CB 1.731 33.500 31.823 -0.089 0.000 1.023 136 V HN 1.184 nan 8.190 nan 0.000 0.435 137 Y N 1.174 121.459 120.300 -0.024 0.000 2.545 137 Y HA 0.906 5.457 4.550 0.001 0.000 0.348 137 Y C -0.137 175.766 175.900 0.004 0.000 1.002 137 Y CA -0.357 57.772 58.100 0.049 0.000 1.039 137 Y CB 1.560 40.087 38.460 0.110 0.000 1.271 137 Y HN 0.943 nan 8.280 nan 0.000 0.467 138 T N 0.254 114.877 114.554 0.114 0.000 2.925 138 T HA 0.733 5.083 4.350 0.001 0.000 0.285 138 T C -0.652 174.113 174.700 0.108 0.000 1.021 138 T CA -1.069 61.042 62.100 0.017 0.000 1.042 138 T CB 1.731 70.605 68.868 0.010 0.000 1.037 138 T HN 0.832 nan 8.240 nan 0.000 0.481 139 R N 0.530 121.060 120.500 0.050 0.000 2.637 139 R HA 0.514 4.854 4.340 0.001 0.000 0.291 139 R C -0.166 176.151 176.300 0.028 0.000 0.963 139 R CA -0.861 55.281 56.100 0.070 0.000 0.901 139 R CB 1.733 32.079 30.300 0.076 0.000 1.160 139 R HN 0.528 nan 8.270 nan 0.000 0.457 140 R N 2.371 122.887 120.500 0.025 0.000 2.369 140 R HA 0.150 4.491 4.340 0.001 0.000 0.310 140 R C -0.579 175.730 176.300 0.015 0.000 1.141 140 R CA -0.279 55.828 56.100 0.010 0.000 1.116 140 R CB 0.949 31.250 30.300 0.001 0.000 1.135 140 R HN 0.546 nan 8.270 nan 0.000 0.529 141 E N 2.995 123.205 120.200 0.018 0.000 2.283 141 E HA 0.247 4.597 4.350 0.001 0.000 0.267 141 E C -2.321 174.300 176.600 0.035 0.000 1.045 141 E CA -2.165 54.248 56.400 0.022 0.000 0.884 141 E CB 0.864 30.577 29.700 0.022 0.000 1.106 141 E HN 0.162 nan 8.360 nan 0.000 0.408 142 P HA -0.038 nan 4.420 nan 0.000 0.269 142 P C 0.292 177.637 177.300 0.076 0.000 1.209 142 P CA 0.242 63.384 63.100 0.071 0.000 0.776 142 P CB 0.534 32.280 31.700 0.076 0.000 0.876 143 L N 1.333 122.617 121.223 0.102 0.000 2.083 143 L HA -0.061 4.279 4.340 0.001 0.000 0.209 143 L C 1.709 178.631 176.870 0.087 0.000 1.083 143 L CA 2.077 56.973 54.840 0.093 0.000 0.752 143 L CB -0.879 41.252 42.059 0.119 0.000 0.899 143 L HN 0.800 nan 8.230 nan 0.000 0.433 144 G N -1.363 107.498 108.800 0.101 0.000 2.433 144 G HA2 -0.196 3.765 3.960 0.001 0.000 0.211 144 G HA3 -0.196 3.765 3.960 0.001 0.000 0.211 144 G C -0.629 174.328 174.900 0.095 0.000 1.214 144 G CA -0.293 44.861 45.100 0.090 0.000 1.271 144 G HN -0.124 nan 8.290 nan 0.000 0.503 145 V N 2.079 122.040 119.914 0.078 0.000 2.394 145 V HA 0.644 4.765 4.120 0.001 0.000 0.282 145 V C 0.779 176.927 176.094 0.089 0.000 1.031 145 V CA 0.118 62.457 62.300 0.066 0.000 0.881 145 V CB 0.841 32.681 31.823 0.027 0.000 0.982 145 V HN 1.544 nan 8.190 nan 0.000 0.451 146 V N 2.326 122.306 119.914 0.111 0.000 3.074 146 V HA 1.062 5.182 4.120 0.001 0.000 0.314 146 V C -0.195 175.982 176.094 0.138 0.000 1.117 146 V CA -0.870 61.522 62.300 0.153 0.000 1.014 146 V CB 2.003 33.981 31.823 0.258 0.000 1.057 146 V HN 1.046 nan 8.190 nan 0.000 0.438 147 A N 1.266 124.177 122.820 0.151 0.000 2.355 147 A HA 0.953 5.274 4.320 0.001 0.000 0.317 147 A C 0.050 177.744 177.584 0.183 0.000 1.094 147 A CA -0.182 51.934 52.037 0.131 0.000 0.764 147 A CB 1.435 20.483 19.000 0.081 0.000 1.230 147 A HN 1.970 nan 8.150 nan 0.000 0.448 148 G N 0.843 109.766 108.800 0.205 0.000 2.416 148 G HA2 0.580 4.540 3.960 0.001 0.000 0.324 148 G HA3 0.580 4.540 3.960 0.001 0.000 0.324 148 G C -0.849 173.943 174.900 -0.181 0.000 1.194 148 G CA -0.389 44.858 45.100 0.246 0.000 0.922 148 G HN 0.635 nan 8.290 nan 0.000 0.467 149 I N 2.320 122.818 120.570 -0.120 0.000 2.382 149 I HA 0.434 4.605 4.170 0.001 0.000 0.286 149 I C 0.869 176.797 176.117 -0.315 0.000 1.002 149 I CA -0.587 60.548 61.300 -0.274 0.000 1.135 149 I CB 2.007 40.037 38.000 0.050 0.000 1.288 149 I HN 0.548 nan 8.210 nan 0.000 0.448 150 G N 3.955 112.492 108.800 -0.438 0.000 2.511 150 G HA2 0.809 4.769 3.960 0.001 0.000 0.316 150 G HA3 0.809 4.769 3.960 0.001 0.000 0.316 150 G C -0.834 173.972 174.900 -0.157 0.000 1.210 150 G CA -0.429 44.610 45.100 -0.103 0.000 0.969 150 G HN 0.703 nan 8.290 nan 0.000 0.492 151 A N -0.632 122.120 122.820 -0.115 0.000 2.344 151 A HA 0.688 5.008 4.320 0.001 0.000 0.307 151 A C 0.506 178.054 177.584 -0.058 0.000 1.151 151 A CA -0.716 51.191 52.037 -0.217 0.000 0.842 151 A CB 0.813 19.569 19.000 -0.407 0.000 1.350 151 A HN 1.091 nan 8.150 nan 0.000 0.459 152 W N 0.569 121.875 121.300 0.009 0.000 3.197 152 W HA 0.034 4.694 4.660 0.001 0.000 0.274 152 W C 0.749 177.292 176.519 0.040 0.000 1.297 152 W CA 0.670 58.030 57.345 0.026 0.000 1.662 152 W CB -0.353 29.107 29.460 0.000 0.000 1.106 152 W HN 0.839 nan 8.180 nan 0.000 0.663 153 N N 1.340 120.043 118.700 0.005 0.000 2.290 153 N HA -0.161 4.579 4.740 0.001 0.000 0.179 153 N C -0.231 175.309 175.510 0.051 0.000 1.016 153 N CA 0.777 53.903 53.050 0.126 0.000 0.871 153 N CB -1.104 37.385 38.487 0.003 0.000 0.987 153 N HN 0.223 nan 8.380 nan 0.000 0.431 154 Y N 0.168 120.444 120.300 -0.040 0.000 2.584 154 Y HA 0.416 4.966 4.550 0.001 0.000 0.358 154 Y C -1.774 174.093 175.900 -0.055 0.000 1.028 154 Y CA -2.022 56.038 58.100 -0.068 0.000 1.148 154 Y CB 2.032 40.393 38.460 -0.165 0.000 1.126 154 Y HN 0.003 nan 8.280 nan 0.000 0.658 155 P HA -0.223 nan 4.420 nan 0.000 0.213 155 P C 1.834 179.178 177.300 0.073 0.000 1.170 155 P CA 1.216 64.388 63.100 0.120 0.000 0.898 155 P CB 0.505 32.283 31.700 0.129 0.000 0.787 156 V N -0.508 119.416 119.914 0.016 0.000 2.591 156 V HA -0.182 3.938 4.120 0.001 0.000 0.249 156 V C 2.539 178.584 176.094 -0.081 0.000 1.053 156 V CA 1.611 63.883 62.300 -0.046 0.000 1.068 156 V CB -0.937 30.852 31.823 -0.057 0.000 0.689 156 V HN 0.100 nan 8.190 nan 0.000 0.462 157 Q N -0.273 119.484 119.800 -0.072 0.000 2.084 157 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 157 Q C 2.170 177.984 176.000 -0.310 0.000 0.978 157 Q CA 2.426 58.107 55.803 -0.204 0.000 0.844 157 Q CB -0.183 28.405 28.738 -0.251 0.000 0.898 157 Q HN 0.705 nan 8.270 nan 0.000 0.426 158 I N 0.647 121.110 120.570 -0.178 0.000 2.252 158 I HA -0.240 3.930 4.170 0.001 0.000 0.245 158 I C 2.484 178.621 176.117 0.033 0.000 1.102 158 I CA 0.902 62.172 61.300 -0.051 0.000 1.385 158 I CB -0.427 37.603 38.000 0.051 0.000 1.064 158 I HN 0.218 nan 8.210 nan 0.000 0.414 159 A N 0.871 123.611 122.820 -0.133 0.000 1.940 159 A HA -0.184 4.137 4.320 0.001 0.000 0.219 159 A C 2.298 179.726 177.584 -0.260 0.000 1.176 159 A CA 1.580 53.272 52.037 -0.574 0.000 0.631 159 A CB -0.798 17.763 19.000 -0.732 0.000 0.814 159 A HN 0.385 nan 8.150 nan 0.000 0.446 160 L N -2.608 118.557 121.223 -0.098 0.000 2.072 160 L HA -0.154 4.186 4.340 0.001 0.000 0.205 160 L C 2.487 179.521 176.870 0.273 0.000 1.079 160 L CA 0.843 55.711 54.840 0.047 0.000 0.752 160 L CB -0.427 41.680 42.059 0.080 0.000 0.906 160 L HN 0.550 nan 8.230 nan 0.000 0.436 161 W N 0.698 122.022 121.300 0.040 0.000 2.421 161 W HA -0.121 4.539 4.660 0.001 0.000 0.270 161 W C 2.414 179.004 176.519 0.117 0.000 1.233 161 W CA 0.710 58.119 57.345 0.107 0.000 1.226 161 W CB -0.388 29.133 29.460 0.102 0.000 1.121 161 W HN 0.106 nan 8.180 nan 0.000 0.579 162 K N -0.490 120.093 120.400 0.304 0.000 2.168 162 K HA -0.030 4.290 4.320 0.001 0.000 0.201 162 K C 2.220 178.860 176.600 0.066 0.000 1.049 162 K CA 1.406 57.841 56.287 0.247 0.000 0.974 162 K CB -0.421 32.295 32.500 0.361 0.000 0.792 162 K HN 0.015 nan 8.250 nan 0.000 0.463 163 S N 1.091 116.826 115.700 0.059 0.000 2.428 163 S HA 0.007 4.477 4.470 0.001 0.000 0.230 163 S C 2.241 176.774 174.600 -0.111 0.000 1.014 163 S CA 0.686 58.874 58.200 -0.020 0.000 0.957 163 S CB -0.055 63.108 63.200 -0.062 0.000 0.784 163 S HN 0.241 nan 8.310 nan 0.000 0.499 164 A N 3.648 126.458 122.820 -0.015 0.000 1.845 164 A HA 0.063 4.383 4.320 0.001 0.000 0.215 164 A C 0.471 177.942 177.584 -0.189 0.000 1.195 164 A CA 1.540 53.596 52.037 0.032 0.000 0.616 164 A CB -1.738 17.416 19.000 0.257 0.000 0.832 164 A HN 0.601 nan 8.150 nan 0.000 0.443 165 P HA -0.095 nan 4.420 nan 0.000 0.217 165 P C 1.613 178.510 177.300 -0.672 0.000 1.150 165 P CA 1.940 64.537 63.100 -0.837 0.000 0.832 165 P CB -0.200 31.022 31.700 -0.796 0.000 0.787 166 A N -0.010 122.273 122.820 -0.894 0.000 1.865 166 A HA -0.170 4.151 4.320 0.001 0.000 0.217 166 A C 2.233 179.688 177.584 -0.216 0.000 1.191 166 A CA 1.727 53.306 52.037 -0.764 0.000 0.623 166 A CB -1.639 17.015 19.000 -0.576 0.000 0.826 166 A HN 0.092 nan 8.150 nan 0.000 0.444 167 L N -0.505 120.634 121.223 -0.141 0.000 2.093 167 L HA -0.034 4.306 4.340 0.001 0.000 0.208 167 L C 2.964 180.020 176.870 0.310 0.000 1.085 167 L CA 1.720 56.609 54.840 0.082 0.000 0.755 167 L CB -0.866 41.082 42.059 -0.184 0.000 0.904 167 L HN 0.391 nan 8.230 nan 0.000 0.435 168 A N -0.625 122.245 122.820 0.083 0.000 1.972 168 A HA -0.102 4.218 4.320 0.001 0.000 0.219 168 A C 2.263 179.857 177.584 0.016 0.000 1.169 168 A CA 1.581 53.658 52.037 0.066 0.000 0.635 168 A CB -0.744 18.259 19.000 0.006 0.000 0.810 168 A HN 0.351 nan 8.150 nan 0.000 0.446 169 A N -1.876 120.942 122.820 -0.003 0.000 2.238 169 A HA 0.426 4.746 4.320 0.001 0.000 0.208 169 A C 1.647 179.260 177.584 0.048 0.000 1.177 169 A CA 1.111 53.159 52.037 0.018 0.000 0.804 169 A CB -0.925 18.110 19.000 0.058 0.000 0.823 169 A HN 1.884 nan 8.150 nan 0.000 0.482 170 G N -0.617 108.248 108.800 0.110 0.000 2.131 170 G HA2 -0.214 3.747 3.960 0.001 0.000 0.223 170 G HA3 -0.214 3.747 3.960 0.001 0.000 0.223 170 G C -0.093 174.991 174.900 0.308 0.000 0.990 170 G CA 0.051 45.217 45.100 0.109 0.000 0.671 170 G HN 0.510 nan 8.290 nan 0.000 0.521 171 N N 0.322 119.186 118.700 0.273 0.000 2.458 171 N HA 0.657 5.397 4.740 0.001 0.000 0.271 171 N C 0.286 175.883 175.510 0.145 0.000 1.210 171 N CA 0.407 53.575 53.050 0.196 0.000 0.978 171 N CB 1.429 40.002 38.487 0.144 0.000 1.206 171 N HN 0.642 nan 8.380 nan 0.000 0.536 172 A N 0.572 123.441 122.820 0.081 0.000 2.312 172 A HA 0.572 4.893 4.320 0.001 0.000 0.326 172 A C -0.343 177.258 177.584 0.029 0.000 1.172 172 A CA -0.564 51.472 52.037 -0.003 0.000 0.821 172 A CB 0.698 19.698 19.000 0.001 0.000 1.166 172 A HN 0.713 nan 8.150 nan 0.000 0.493 173 M N 3.377 122.996 119.600 0.032 0.000 2.311 173 M HA 0.593 5.073 4.480 0.001 0.000 0.325 173 M C -1.690 174.601 176.300 -0.016 0.000 1.061 173 M CA -0.513 54.838 55.300 0.085 0.000 0.957 173 M CB 0.891 33.614 32.600 0.206 0.000 1.646 173 M HN 0.595 nan 8.290 nan 0.000 0.434 174 I N 5.068 125.633 120.570 -0.008 0.000 2.315 174 I HA 0.295 4.465 4.170 0.001 0.000 0.291 174 I C -1.180 174.937 176.117 0.000 0.000 1.006 174 I CA -0.384 60.875 61.300 -0.068 0.000 1.265 174 I CB 0.820 38.795 38.000 -0.041 0.000 1.387 174 I HN 0.613 nan 8.210 nan 0.000 0.475 175 F N 7.488 127.279 119.950 -0.265 0.000 2.458 175 F HA 0.410 4.937 4.527 0.001 0.000 0.336 175 F C -0.072 175.697 175.800 -0.053 0.000 1.114 175 F CA -0.645 57.281 58.000 -0.123 0.000 0.987 175 F CB 1.151 40.077 39.000 -0.123 0.000 1.130 175 F HN 0.292 nan 8.300 nan 0.000 0.458 176 K N 8.614 128.634 120.400 -0.634 0.000 2.404 176 K HA 0.420 4.740 4.320 0.001 0.000 0.257 176 K C -2.825 173.416 176.600 -0.598 0.000 1.026 176 K CA -2.136 53.909 56.287 -0.404 0.000 0.951 176 K CB 1.164 33.531 32.500 -0.222 0.000 1.203 176 K HN 0.297 nan 8.250 nan 0.000 0.446 177 P HA -0.006 nan 4.420 nan 0.000 0.274 177 P C -0.430 176.879 177.300 0.015 0.000 1.246 177 P CA -0.433 62.684 63.100 0.028 0.000 0.795 177 P CB 0.830 32.721 31.700 0.319 0.000 1.006 178 S N -0.068 115.674 115.700 0.069 0.000 2.552 178 S HA -0.069 4.401 4.470 0.001 0.000 0.289 178 S C 1.421 176.071 174.600 0.084 0.000 1.304 178 S CA -0.089 58.160 58.200 0.082 0.000 1.063 178 S CB -0.394 62.919 63.200 0.189 0.000 0.848 178 S HN 0.573 nan 8.310 nan 0.000 0.499 179 E N 3.047 123.224 120.200 -0.038 0.000 2.171 179 E HA -0.133 4.218 4.350 0.001 0.000 0.197 179 E C 1.467 178.068 176.600 0.001 0.000 0.997 179 E CA 1.491 57.757 56.400 -0.222 0.000 0.810 179 E CB -0.064 29.321 29.700 -0.526 0.000 0.738 179 E HN 0.683 nan 8.360 nan 0.000 0.467 180 V N 0.271 120.213 119.914 0.047 0.000 2.626 180 V HA -0.119 4.002 4.120 0.001 0.000 0.252 180 V C 1.304 177.478 176.094 0.133 0.000 1.067 180 V CA 1.742 64.075 62.300 0.056 0.000 1.081 180 V CB -0.151 31.630 31.823 -0.070 0.000 0.686 180 V HN 0.447 nan 8.190 nan 0.000 0.468 181 T N -3.030 111.640 114.554 0.193 0.000 3.446 181 T HA 0.309 4.659 4.350 0.001 0.000 0.289 181 T C -2.114 172.712 174.700 0.210 0.000 1.203 181 T CA -0.950 61.266 62.100 0.194 0.000 1.645 181 T CB 1.396 70.386 68.868 0.205 0.000 0.841 181 T HN 0.208 nan 8.240 nan 0.000 0.617 182 P HA 0.239 nan 4.420 nan 0.000 0.240 182 P C 1.509 178.917 177.300 0.180 0.000 1.190 182 P CA -0.088 63.156 63.100 0.240 0.000 0.781 182 P CB 0.258 32.137 31.700 0.299 0.000 0.931 183 L N 0.067 121.372 121.223 0.137 0.000 2.027 183 L HA -0.105 4.235 4.340 0.001 0.000 0.206 183 L C 2.576 179.475 176.870 0.048 0.000 1.074 183 L CA 2.356 57.242 54.840 0.076 0.000 0.745 183 L CB -1.840 40.251 42.059 0.053 0.000 0.898 183 L HN 0.089 nan 8.230 nan 0.000 0.433 184 T N -2.580 112.005 114.554 0.052 0.000 2.951 184 T HA -0.012 4.338 4.350 0.001 0.000 0.268 184 T C 1.957 176.667 174.700 0.017 0.000 1.073 184 T CA 0.731 62.839 62.100 0.012 0.000 1.134 184 T CB -0.272 68.595 68.868 -0.001 0.000 0.884 184 T HN 0.281 nan 8.240 nan 0.000 0.479 185 A N 1.885 124.761 122.820 0.092 0.000 1.940 185 A HA 0.092 4.413 4.320 0.001 0.000 0.219 185 A C 2.379 180.030 177.584 0.111 0.000 1.176 185 A CA 1.414 53.532 52.037 0.135 0.000 0.631 185 A CB -0.929 18.267 19.000 0.327 0.000 0.814 185 A HN 0.556 nan 8.150 nan 0.000 0.446 186 L N -0.839 120.442 121.223 0.098 0.000 2.093 186 L HA -0.158 4.182 4.340 0.001 0.000 0.208 186 L C 2.475 179.318 176.870 -0.045 0.000 1.085 186 L CA 1.128 56.004 54.840 0.060 0.000 0.755 186 L CB -0.400 41.793 42.059 0.223 0.000 0.904 186 L HN 0.190 nan 8.230 nan 0.000 0.435 187 K N 0.093 120.475 120.400 -0.030 0.000 2.057 187 K HA -0.162 4.158 4.320 0.001 0.000 0.207 187 K C 2.067 178.565 176.600 -0.169 0.000 1.049 187 K CA 1.177 57.417 56.287 -0.080 0.000 0.931 187 K CB -0.710 31.743 32.500 -0.078 0.000 0.714 187 K HN 0.140 nan 8.250 nan 0.000 0.440 188 L N 1.280 122.384 121.223 -0.198 0.000 2.042 188 L HA -0.114 4.226 4.340 0.001 0.000 0.210 188 L C 2.182 178.814 176.870 -0.397 0.000 1.076 188 L CA 2.007 56.621 54.840 -0.375 0.000 0.749 188 L CB -0.872 40.933 42.059 -0.424 0.000 0.893 188 L HN 0.164 nan 8.230 nan 0.000 0.432 189 A N -0.889 121.810 122.820 -0.202 0.000 1.933 189 A HA -0.227 4.093 4.320 0.001 0.000 0.218 189 A C 2.155 179.430 177.584 -0.514 0.000 1.175 189 A CA 1.786 53.674 52.037 -0.247 0.000 0.628 189 A CB -0.616 17.982 19.000 -0.670 0.000 0.814 189 A HN 0.625 nan 8.150 nan 0.000 0.444 190 E N -0.387 119.510 120.200 -0.505 0.000 2.077 190 E HA -0.159 4.191 4.350 0.001 0.000 0.193 190 E C 1.867 178.419 176.600 -0.081 0.000 0.989 190 E CA 1.290 57.577 56.400 -0.188 0.000 0.800 190 E CB -0.279 29.390 29.700 -0.052 0.000 0.746 190 E HN 0.709 nan 8.360 nan 0.000 0.452 191 I N 0.165 120.640 120.570 -0.159 0.000 2.252 191 I HA -0.262 3.908 4.170 0.001 0.000 0.245 191 I C 2.048 178.106 176.117 -0.098 0.000 1.102 191 I CA 0.871 62.080 61.300 -0.152 0.000 1.385 191 I CB -0.218 37.634 38.000 -0.247 0.000 1.064 191 I HN 0.098 nan 8.210 nan 0.000 0.414 192 Y N 1.260 121.473 120.300 -0.147 0.000 2.114 192 Y HA -0.294 4.257 4.550 0.001 0.000 0.282 192 Y C 2.939 178.798 175.900 -0.069 0.000 1.165 192 Y CA 1.706 59.719 58.100 -0.146 0.000 1.148 192 Y CB -1.453 36.878 38.460 -0.215 0.000 0.972 192 Y HN 0.145 nan 8.280 nan 0.000 0.504 193 T N -0.531 114.114 114.554 0.151 0.000 2.708 193 T HA -0.240 4.111 4.350 0.001 0.000 0.266 193 T C 1.846 176.600 174.700 0.091 0.000 1.037 193 T CA 1.639 63.818 62.100 0.131 0.000 1.146 193 T CB -0.282 68.707 68.868 0.202 0.000 0.865 193 T HN 0.435 nan 8.240 nan 0.000 0.435 194 E N 0.712 120.955 120.200 0.072 0.000 2.153 194 E HA -0.105 4.245 4.350 0.001 0.000 0.194 194 E C 2.194 178.826 176.600 0.054 0.000 0.988 194 E CA 0.938 57.371 56.400 0.054 0.000 0.811 194 E CB -0.167 29.553 29.700 0.033 0.000 0.746 194 E HN 0.489 nan 8.360 nan 0.000 0.466 195 A N -0.123 122.735 122.820 0.062 0.000 2.119 195 A HA 0.129 4.449 4.320 0.001 0.000 0.217 195 A C 1.776 179.412 177.584 0.086 0.000 1.153 195 A CA 1.204 53.285 52.037 0.074 0.000 0.692 195 A CB -0.261 18.796 19.000 0.096 0.000 0.799 195 A HN 0.501 nan 8.150 nan 0.000 0.458 196 G N -2.118 106.731 108.800 0.082 0.000 2.159 196 G HA2 -0.125 3.835 3.960 0.001 0.000 0.170 196 G HA3 -0.125 3.835 3.960 0.001 0.000 0.170 196 G C 0.053 175.004 174.900 0.084 0.000 1.007 196 G CA -0.119 45.034 45.100 0.088 0.000 0.672 196 G HN 0.681 nan 8.290 nan 0.000 0.507 197 V N 2.357 122.279 119.914 0.012 0.000 2.485 197 V HA 0.271 4.392 4.120 0.001 0.000 0.287 197 V C -1.065 174.978 176.094 -0.086 0.000 1.022 197 V CA -0.640 61.556 62.300 -0.173 0.000 1.067 197 V CB 0.824 32.434 31.823 -0.354 0.000 0.967 197 V HN 0.189 nan 8.190 nan 0.000 0.479 198 P HA 0.038 nan 4.420 nan 0.000 0.266 198 P C -0.441 176.845 177.300 -0.022 0.000 1.193 198 P CA -0.192 62.918 63.100 0.017 0.000 0.770 198 P CB 0.314 32.070 31.700 0.094 0.000 0.836 199 D N 1.271 121.674 120.400 0.006 0.000 2.488 199 D HA 0.233 4.873 4.640 0.001 0.000 0.238 199 D C 1.645 177.936 176.300 -0.015 0.000 1.138 199 D CA 1.816 55.814 54.000 -0.003 0.000 0.873 199 D CB -0.009 40.783 40.800 -0.013 0.000 1.183 199 D HN 0.665 nan 8.370 nan 0.000 0.458 200 G N 0.805 109.595 108.800 -0.017 0.000 2.234 200 G HA2 -0.323 3.637 3.960 0.001 0.000 0.235 200 G HA3 -0.323 3.637 3.960 0.001 0.000 0.235 200 G C 1.168 176.042 174.900 -0.044 0.000 0.997 200 G CA 0.199 45.283 45.100 -0.026 0.000 0.623 200 G HN 0.449 nan 8.290 nan 0.000 0.514 201 V N -0.507 119.355 119.914 -0.087 0.000 2.591 201 V HA 0.359 4.480 4.120 0.001 0.000 0.249 201 V C 0.888 176.914 176.094 -0.113 0.000 1.053 201 V CA 1.863 64.048 62.300 -0.191 0.000 1.068 201 V CB -0.099 31.434 31.823 -0.484 0.000 0.689 201 V HN 0.468 nan 8.190 nan 0.000 0.462 202 F N 1.600 121.434 119.950 -0.193 0.000 2.610 202 F HA 0.545 5.073 4.527 0.001 0.000 0.355 202 F C -0.377 175.459 175.800 0.061 0.000 1.140 202 F CA -1.031 56.912 58.000 -0.096 0.000 1.037 202 F CB 0.596 39.506 39.000 -0.150 0.000 1.287 202 F HN -0.026 nan 8.300 nan 0.000 0.457 203 N N 3.858 122.369 118.700 -0.315 0.000 2.417 203 N HA 0.604 5.345 4.740 0.001 0.000 0.300 203 N C -1.336 173.983 175.510 -0.317 0.000 1.102 203 N CA -0.467 52.485 53.050 -0.163 0.000 0.886 203 N CB 2.630 41.069 38.487 -0.080 0.000 1.203 203 N HN 0.258 nan 8.380 nan 0.000 0.496 204 V N 2.518 122.375 119.914 -0.095 0.000 2.444 204 V HA 0.455 4.576 4.120 0.001 0.000 0.294 204 V C -0.265 175.872 176.094 0.071 0.000 1.022 204 V CA -0.698 61.584 62.300 -0.030 0.000 0.850 204 V CB 1.521 33.371 31.823 0.045 0.000 0.992 204 V HN 0.402 nan 8.190 nan 0.000 0.426 205 L N 4.995 126.256 121.223 0.063 0.000 2.313 205 L HA 0.650 4.991 4.340 0.001 0.000 0.283 205 L C 0.456 177.399 176.870 0.122 0.000 1.013 205 L CA -0.345 54.554 54.840 0.097 0.000 0.816 205 L CB 2.190 44.297 42.059 0.080 0.000 1.236 205 L HN 0.766 nan 8.230 nan 0.000 0.419 206 T N -0.506 114.157 114.554 0.182 0.000 2.943 206 T HA 0.927 5.277 4.350 0.001 0.000 0.284 206 T C 0.236 175.100 174.700 0.274 0.000 1.015 206 T CA -0.200 62.053 62.100 0.255 0.000 1.042 206 T CB 2.356 71.430 68.868 0.344 0.000 1.055 206 T HN 0.945 nan 8.240 nan 0.000 0.500 207 G N 0.701 109.640 108.800 0.231 0.000 2.320 207 G HA2 0.389 4.350 3.960 0.001 0.000 0.274 207 G HA3 0.389 4.350 3.960 0.001 0.000 0.274 207 G C -0.523 174.248 174.900 -0.215 0.000 1.324 207 G CA -0.338 44.785 45.100 0.038 0.000 0.957 207 G HN 1.485 nan 8.290 nan 0.000 0.481 208 S N -0.716 114.845 115.700 -0.231 0.000 2.713 208 S HA 0.657 5.128 4.470 0.001 0.000 0.283 208 S C 1.588 176.069 174.600 -0.198 0.000 1.161 208 S CA 0.734 58.789 58.200 -0.242 0.000 0.999 208 S CB 1.457 64.519 63.200 -0.231 0.000 1.039 208 S HN 2.127 nan 8.310 nan 0.000 0.548 209 G N 0.467 109.179 108.800 -0.147 0.000 2.403 209 G HA2 -0.102 3.858 3.960 0.001 0.000 0.216 209 G HA3 -0.102 3.858 3.960 0.001 0.000 0.216 209 G C 1.479 176.272 174.900 -0.177 0.000 1.154 209 G CA 0.109 45.139 45.100 -0.115 0.000 0.784 209 G HN 0.751 nan 8.290 nan 0.000 0.538 210 R N 0.163 120.553 120.500 -0.185 0.000 2.117 210 R HA -0.075 4.265 4.340 0.001 0.000 0.243 210 R C 2.370 178.445 176.300 -0.376 0.000 1.143 210 R CA 1.855 57.827 56.100 -0.213 0.000 0.968 210 R CB -0.055 30.144 30.300 -0.168 0.000 0.863 210 R HN 0.509 nan 8.270 nan 0.000 0.444 211 E N -1.173 118.709 120.200 -0.529 0.000 2.098 211 E HA -0.055 4.296 4.350 0.001 0.000 0.196 211 E C 1.792 177.544 176.600 -1.414 0.000 0.955 211 E CA 0.553 56.287 56.400 -1.111 0.000 0.936 211 E CB -0.252 28.865 29.700 -0.972 0.000 1.054 211 E HN 0.061 nan 8.360 nan 0.000 0.482 212 V N 1.316 120.758 119.914 -0.786 0.000 2.427 212 V HA -0.088 4.032 4.120 0.001 0.000 0.248 212 V C 1.946 177.969 176.094 -0.118 0.000 1.051 212 V CA 2.494 64.647 62.300 -0.246 0.000 1.048 212 V CB -0.814 31.032 31.823 0.038 0.000 0.666 212 V HN 0.427 nan 8.190 nan 0.000 0.456 213 G N -0.791 107.909 108.800 -0.167 0.000 2.476 213 G HA2 -0.403 3.558 3.960 0.001 0.000 0.218 213 G HA3 -0.403 3.558 3.960 0.001 0.000 0.218 213 G C 1.534 176.391 174.900 -0.071 0.000 1.164 213 G CA 1.181 46.230 45.100 -0.086 0.000 0.768 213 G HN 0.631 nan 8.290 nan 0.000 0.560 214 Q N -1.033 118.663 119.800 -0.174 0.000 2.119 214 Q HA -0.101 4.240 4.340 0.001 0.000 0.201 214 Q C 2.332 178.361 176.000 0.048 0.000 0.972 214 Q CA 1.360 57.096 55.803 -0.112 0.000 0.847 214 Q CB -0.189 28.434 28.738 -0.192 0.000 0.903 214 Q HN 0.630 nan 8.270 nan 0.000 0.433 215 W N 0.510 121.826 121.300 0.027 0.000 2.363 215 W HA -0.106 4.554 4.660 0.001 0.000 0.296 215 W C 1.826 178.390 176.519 0.075 0.000 1.212 215 W CA 0.567 57.942 57.345 0.049 0.000 1.260 215 W CB -0.767 28.724 29.460 0.052 0.000 1.131 215 W HN 0.266 nan 8.180 nan 0.000 0.530 216 L N 0.200 121.571 121.223 0.246 0.000 2.027 216 L HA -0.202 4.139 4.340 0.001 0.000 0.206 216 L C 2.693 179.649 176.870 0.145 0.000 1.074 216 L CA 2.169 57.108 54.840 0.165 0.000 0.745 216 L CB -1.353 40.761 42.059 0.092 0.000 0.898 216 L HN -0.003 nan 8.230 nan 0.000 0.433 217 T N -3.679 110.937 114.554 0.103 0.000 3.007 217 T HA -0.135 4.216 4.350 0.001 0.000 0.270 217 T C 1.460 176.212 174.700 0.086 0.000 1.107 217 T CA 1.057 63.200 62.100 0.072 0.000 1.118 217 T CB -0.142 68.737 68.868 0.018 0.000 0.889 217 T HN 0.387 nan 8.240 nan 0.000 0.506 218 E N -0.352 119.922 120.200 0.124 0.000 2.415 218 E HA 0.108 4.459 4.350 0.001 0.000 0.197 218 E C 0.227 176.892 176.600 0.109 0.000 1.007 218 E CA -0.246 56.218 56.400 0.106 0.000 0.890 218 E CB 0.077 29.849 29.700 0.121 0.000 0.891 218 E HN 0.708 nan 8.360 nan 0.000 0.496 219 H N 1.619 120.733 119.070 0.074 0.000 2.929 219 H HA 0.002 4.559 4.556 0.001 0.000 0.317 219 H C -1.702 173.651 175.328 0.040 0.000 1.031 219 H CA -1.500 54.582 56.048 0.056 0.000 1.466 219 H CB 1.123 30.921 29.762 0.060 0.000 1.482 219 H HN -0.113 nan 8.280 nan 0.000 0.561 220 P HA -0.117 nan 4.420 nan 0.000 0.226 220 P C 0.752 178.141 177.300 0.148 0.000 1.153 220 P CA 1.052 64.160 63.100 0.013 0.000 0.777 220 P CB 0.345 31.985 31.700 -0.100 0.000 0.794 221 L N -1.809 119.654 121.223 0.399 0.000 2.585 221 L HA 0.200 4.540 4.340 0.001 0.000 0.226 221 L C 1.035 178.000 176.870 0.159 0.000 1.113 221 L CA -0.135 54.858 54.840 0.255 0.000 0.876 221 L CB -0.099 42.114 42.059 0.256 0.000 1.072 221 L HN -0.119 nan 8.230 nan 0.000 0.468 222 I N 0.617 121.293 120.570 0.176 0.000 2.371 222 I HA 0.027 4.197 4.170 0.001 0.000 0.290 222 I C 1.123 177.298 176.117 0.097 0.000 1.028 222 I CA -0.059 61.302 61.300 0.101 0.000 1.345 222 I CB 1.268 39.322 38.000 0.090 0.000 1.407 222 I HN 0.077 nan 8.210 nan 0.000 0.501 223 E N 4.907 125.159 120.200 0.086 0.000 2.400 223 E HA 0.077 4.427 4.350 0.001 0.000 0.195 223 E C 0.197 176.839 176.600 0.069 0.000 1.012 223 E CA 0.449 56.894 56.400 0.075 0.000 0.875 223 E CB 0.521 30.264 29.700 0.073 0.000 0.859 223 E HN 0.492 nan 8.360 nan 0.000 0.498 224 K N 0.608 121.060 120.400 0.086 0.000 2.542 224 K HA 0.325 4.645 4.320 0.001 0.000 0.259 224 K C -1.537 175.124 176.600 0.103 0.000 0.932 224 K CA -0.501 55.832 56.287 0.076 0.000 0.820 224 K CB 1.601 34.140 32.500 0.066 0.000 1.345 224 K HN -0.212 nan 8.250 nan 0.000 0.432 225 I N 2.365 122.985 120.570 0.084 0.000 2.433 225 I HA 0.276 4.447 4.170 0.001 0.000 0.292 225 I C -0.462 175.735 176.117 0.134 0.000 1.001 225 I CA -0.574 60.794 61.300 0.113 0.000 1.119 225 I CB 1.511 39.563 38.000 0.087 0.000 1.289 225 I HN 0.603 nan 8.210 nan 0.000 0.438 226 S N 7.134 122.953 115.700 0.199 0.000 2.552 226 S HA 0.642 5.112 4.470 0.001 0.000 0.314 226 S C -1.164 173.595 174.600 0.265 0.000 1.099 226 S CA -0.425 57.913 58.200 0.229 0.000 1.070 226 S CB 0.641 64.028 63.200 0.311 0.000 0.998 226 S HN 0.399 nan 8.310 nan 0.000 0.474 227 F N 3.701 123.699 119.950 0.079 0.000 2.532 227 F HA 0.701 5.228 4.527 0.001 0.000 0.321 227 F C -0.545 175.286 175.800 0.051 0.000 1.089 227 F CA -0.183 57.844 58.000 0.045 0.000 0.926 227 F CB 2.154 41.161 39.000 0.011 0.000 1.168 227 F HN 0.443 nan 8.300 nan 0.000 0.459 228 T N 4.208 118.283 114.554 -0.800 0.000 2.841 228 T HA 0.793 5.143 4.350 0.001 0.000 0.285 228 T C -0.274 173.749 174.700 -1.128 0.000 0.991 228 T CA -0.313 61.406 62.100 -0.635 0.000 0.966 228 T CB 1.240 69.949 68.868 -0.266 0.000 0.962 228 T HN 1.121 nan 8.240 nan 0.000 0.438 229 G N 1.433 109.840 108.800 -0.656 0.000 2.335 229 G HA2 0.543 4.504 3.960 0.001 0.000 0.291 229 G HA3 0.543 4.504 3.960 0.001 0.000 0.291 229 G C -0.364 174.525 174.900 -0.019 0.000 1.261 229 G CA -0.270 44.594 45.100 -0.393 0.000 0.871 229 G HN 0.841 nan 8.290 nan 0.000 0.491 230 G N -0.878 107.956 108.800 0.057 0.000 2.503 230 G HA2 0.451 4.412 3.960 0.001 0.000 0.257 230 G HA3 0.451 4.412 3.960 0.001 0.000 0.257 230 G C 1.092 176.090 174.900 0.164 0.000 1.214 230 G CA 0.939 46.075 45.100 0.059 0.000 0.839 230 G HN 0.737 nan 8.290 nan 0.000 0.559 231 T N 1.095 115.745 114.554 0.161 0.000 2.720 231 T HA -0.228 4.122 4.350 0.001 0.000 0.268 231 T C 2.769 177.514 174.700 0.074 0.000 1.037 231 T CA 2.007 64.197 62.100 0.151 0.000 1.144 231 T CB -0.203 68.791 68.868 0.209 0.000 0.864 231 T HN 0.576 nan 8.240 nan 0.000 0.444 232 S N 0.484 116.227 115.700 0.073 0.000 2.370 232 S HA -0.164 4.306 4.470 0.001 0.000 0.226 232 S C 2.170 176.765 174.600 -0.009 0.000 1.033 232 S CA 2.058 60.277 58.200 0.032 0.000 1.011 232 S CB -0.760 62.470 63.200 0.050 0.000 0.852 232 S HN 0.570 nan 8.310 nan 0.000 0.457 233 T N 0.840 115.399 114.554 0.008 0.000 2.821 233 T HA 0.053 4.403 4.350 0.001 0.000 0.267 233 T C 1.948 176.471 174.700 -0.294 0.000 1.046 233 T CA 1.186 63.245 62.100 -0.069 0.000 1.139 233 T CB -1.099 67.814 68.868 0.075 0.000 0.871 233 T HN 0.570 nan 8.240 nan 0.000 0.454 234 G N 1.864 110.512 108.800 -0.252 0.000 2.442 234 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 234 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 234 G C 1.594 176.336 174.900 -0.263 0.000 1.141 234 G CA 0.787 45.648 45.100 -0.399 0.000 0.763 234 G HN 0.438 nan 8.290 nan 0.000 0.554 235 K N 0.436 120.751 120.400 -0.141 0.000 2.032 235 K HA -0.078 4.243 4.320 0.001 0.000 0.209 235 K C 2.592 179.118 176.600 -0.124 0.000 1.048 235 K CA 1.429 57.654 56.287 -0.103 0.000 0.927 235 K CB -0.145 32.318 32.500 -0.063 0.000 0.712 235 K HN 0.231 nan 8.250 nan 0.000 0.441 236 K N 0.493 120.808 120.400 -0.142 0.000 2.026 236 K HA -0.123 4.198 4.320 0.001 0.000 0.208 236 K C 2.113 178.611 176.600 -0.170 0.000 1.048 236 K CA 1.434 57.641 56.287 -0.133 0.000 0.929 236 K CB -0.247 32.180 32.500 -0.122 0.000 0.713 236 K HN -0.071 nan 8.250 nan 0.000 0.439 237 V N 1.660 121.403 119.914 -0.284 0.000 2.343 237 V HA -0.271 3.849 4.120 0.001 0.000 0.247 237 V C 2.350 178.328 176.094 -0.193 0.000 1.051 237 V CA 1.738 63.857 62.300 -0.302 0.000 1.036 237 V CB -0.354 31.103 31.823 -0.611 0.000 0.654 237 V HN 0.385 nan 8.190 nan 0.000 0.451 238 M N -0.298 119.190 119.600 -0.187 0.000 2.132 238 M HA -0.136 4.344 4.480 0.001 0.000 0.263 238 M C 2.211 178.468 176.300 -0.072 0.000 1.065 238 M CA 2.010 57.247 55.300 -0.105 0.000 1.122 238 M CB -0.278 32.270 32.600 -0.087 0.000 1.365 238 M HN 0.370 nan 8.290 nan 0.000 0.411 239 A N -0.803 121.971 122.820 -0.076 0.000 1.908 239 A HA -0.203 4.117 4.320 0.001 0.000 0.218 239 A C 2.180 179.739 177.584 -0.042 0.000 1.181 239 A CA 2.313 54.319 52.037 -0.052 0.000 0.627 239 A CB -1.088 17.881 19.000 -0.052 0.000 0.818 239 A HN 0.587 nan 8.150 nan 0.000 0.445 240 S N -0.580 115.089 115.700 -0.051 0.000 2.371 240 S HA 0.035 4.506 4.470 0.001 0.000 0.224 240 S C 2.174 176.766 174.600 -0.013 0.000 1.029 240 S CA 1.400 59.582 58.200 -0.030 0.000 0.978 240 S CB -0.483 62.694 63.200 -0.038 0.000 0.833 240 S HN 0.837 nan 8.310 nan 0.000 0.466 241 A N 0.618 123.426 122.820 -0.019 0.000 1.972 241 A HA -0.006 4.315 4.320 0.001 0.000 0.219 241 A C 2.371 179.956 177.584 0.002 0.000 1.169 241 A CA 2.012 54.050 52.037 0.001 0.000 0.635 241 A CB -0.878 18.121 19.000 -0.002 0.000 0.810 241 A HN 0.570 nan 8.150 nan 0.000 0.446 242 S N 0.139 115.833 115.700 -0.010 0.000 2.348 242 S HA -0.107 4.364 4.470 0.001 0.000 0.219 242 S C 2.363 176.960 174.600 -0.005 0.000 1.033 242 S CA 1.510 59.704 58.200 -0.009 0.000 0.974 242 S CB -0.361 62.828 63.200 -0.017 0.000 0.868 242 S HN 0.877 nan 8.310 nan 0.000 0.459 243 S N 2.138 117.834 115.700 -0.008 0.000 2.436 243 S HA -0.051 4.419 4.470 0.001 0.000 0.228 243 S C 1.988 176.588 174.600 -0.001 0.000 1.014 243 S CA 1.048 59.245 58.200 -0.006 0.000 0.950 243 S CB -0.535 62.660 63.200 -0.008 0.000 0.784 243 S HN 0.561 nan 8.310 nan 0.000 0.504 244 S N 2.474 118.177 115.700 0.004 0.000 2.335 244 S HA -0.009 4.462 4.470 0.001 0.000 0.217 244 S C 1.655 176.259 174.600 0.007 0.000 1.032 244 S CA 1.019 59.224 58.200 0.008 0.000 0.985 244 S CB -0.659 62.553 63.200 0.021 0.000 0.896 244 S HN 0.971 nan 8.310 nan 0.000 0.445 245 S N -0.532 115.176 115.700 0.013 0.000 3.051 245 S HA 0.426 4.897 4.470 0.001 0.000 0.250 245 S C 0.133 174.742 174.600 0.016 0.000 0.906 245 S CA -0.261 57.947 58.200 0.015 0.000 1.234 245 S CB -0.766 62.449 63.200 0.025 0.000 1.175 245 S HN 0.483 nan 8.310 nan 0.000 0.635 246 L N 0.778 122.008 121.223 0.011 0.000 3.601 246 L HA -0.192 4.148 4.340 0.001 0.000 0.469 246 L C -0.068 176.810 176.870 0.013 0.000 1.294 246 L CA 0.461 55.305 54.840 0.008 0.000 0.829 246 L CB -1.494 40.569 42.059 0.005 0.000 1.628 246 L HN 0.416 nan 8.230 nan 0.000 0.868 247 K N 0.673 121.084 120.400 0.018 0.000 2.258 247 K HA 0.281 4.601 4.320 0.001 0.000 0.264 247 K C 0.691 177.298 176.600 0.012 0.000 1.007 247 K CA -0.787 55.515 56.287 0.025 0.000 0.941 247 K CB 0.598 33.120 32.500 0.037 0.000 0.966 247 K HN 0.072 nan 8.250 nan 0.000 0.480 248 E N 1.298 121.505 120.200 0.011 0.000 2.404 248 E HA 0.092 4.442 4.350 0.001 0.000 0.261 248 E C -0.250 176.344 176.600 -0.011 0.000 1.074 248 E CA -0.105 56.291 56.400 -0.007 0.000 0.917 248 E CB 1.012 30.702 29.700 -0.017 0.000 0.965 248 E HN 0.383 nan 8.360 nan 0.000 0.433 249 V N -1.002 118.896 119.914 -0.026 0.000 2.925 249 V HA 0.656 4.776 4.120 0.001 0.000 0.311 249 V C -0.379 175.696 176.094 -0.032 0.000 1.104 249 V CA -0.759 61.533 62.300 -0.013 0.000 0.954 249 V CB 2.240 34.061 31.823 -0.003 0.000 1.022 249 V HN 0.512 nan 8.190 nan 0.000 0.427 250 T N 6.290 120.847 114.554 0.006 0.000 2.824 250 T HA 0.704 5.055 4.350 0.001 0.000 0.282 250 T C -0.543 174.222 174.700 0.108 0.000 0.993 250 T CA -0.433 61.681 62.100 0.023 0.000 0.967 250 T CB 1.304 70.186 68.868 0.023 0.000 0.960 250 T HN 0.728 nan 8.240 nan 0.000 0.441 251 M N 3.235 122.899 119.600 0.107 0.000 2.197 251 M HA 0.377 4.857 4.480 0.001 0.000 0.301 251 M C -0.597 175.796 176.300 0.155 0.000 0.987 251 M CA -0.673 54.737 55.300 0.183 0.000 0.921 251 M CB 2.024 34.709 32.600 0.142 0.000 1.569 251 M HN 0.444 nan 8.290 nan 0.000 0.431 252 E N 5.014 125.311 120.200 0.162 0.000 2.073 252 E HA 0.603 4.953 4.350 0.001 0.000 0.269 252 E C -0.560 176.095 176.600 0.093 0.000 0.917 252 E CA -0.194 56.271 56.400 0.109 0.000 0.757 252 E CB 1.907 31.660 29.700 0.089 0.000 1.111 252 E HN 0.657 nan 8.360 nan 0.000 0.410 253 L N 0.293 121.583 121.223 0.112 0.000 2.535 253 L HA 0.646 4.987 4.340 0.001 0.000 0.259 253 L C 1.181 178.090 176.870 0.066 0.000 1.263 253 L CA -1.175 53.735 54.840 0.116 0.000 1.282 253 L CB 0.287 42.453 42.059 0.177 0.000 1.901 253 L HN 0.423 nan 8.230 nan 0.000 0.572 254 G N -1.601 107.243 108.800 0.074 0.000 2.535 254 G HA2 0.596 4.557 3.960 0.001 0.000 0.282 254 G HA3 0.596 4.557 3.960 0.001 0.000 0.282 254 G C -0.614 174.197 174.900 -0.149 0.000 1.350 254 G CA 0.121 45.192 45.100 -0.047 0.000 1.039 254 G HN 0.838 nan 8.290 nan 0.000 0.509 255 G N -1.803 106.698 108.800 -0.498 0.000 2.550 255 G HA2 0.481 4.442 3.960 0.001 0.000 0.293 255 G HA3 0.481 4.442 3.960 0.001 0.000 0.293 255 G C -1.507 172.994 174.900 -0.663 0.000 1.402 255 G CA -0.601 44.110 45.100 -0.648 0.000 0.784 255 G HN 0.590 nan 8.290 nan 0.000 0.482 256 K N 0.648 120.859 120.400 -0.314 0.000 3.029 256 K HA 0.496 4.816 4.320 0.001 0.000 0.169 256 K C -0.183 176.470 176.600 0.088 0.000 1.090 256 K CA -0.309 55.934 56.287 -0.074 0.000 0.883 256 K CB 0.326 32.852 32.500 0.044 0.000 1.080 256 K HN 0.420 nan 8.250 nan 0.000 0.613 257 S N 3.386 119.164 115.700 0.130 0.000 2.531 257 S HA 0.266 4.736 4.470 0.001 0.000 0.279 257 S C -2.410 172.362 174.600 0.286 0.000 1.305 257 S CA -0.846 57.504 58.200 0.250 0.000 1.058 257 S CB 0.523 63.958 63.200 0.391 0.000 0.899 257 S HN 0.369 nan 8.310 nan 0.000 0.493 258 P HA 0.328 nan 4.420 nan 0.000 0.286 258 P C -1.014 176.505 177.300 0.365 0.000 1.269 258 P CA -0.706 62.598 63.100 0.341 0.000 0.787 258 P CB 0.640 32.501 31.700 0.268 0.000 0.920 259 L N 5.063 126.440 121.223 0.257 0.000 2.298 259 L HA 0.484 4.824 4.340 0.001 0.000 0.284 259 L C -0.862 176.096 176.870 0.146 0.000 1.013 259 L CA -0.504 54.454 54.840 0.198 0.000 0.824 259 L CB 0.397 42.395 42.059 -0.102 0.000 1.221 259 L HN 0.235 nan 8.230 nan 0.000 0.418 260 I N 6.479 127.064 120.570 0.026 0.000 2.312 260 I HA 0.321 4.492 4.170 0.001 0.000 0.290 260 I C -0.493 175.433 176.117 -0.319 0.000 1.008 260 I CA -0.553 60.602 61.300 -0.243 0.000 1.226 260 I CB 1.228 38.862 38.000 -0.610 0.000 1.371 260 I HN 0.406 nan 8.210 nan 0.000 0.468 261 I N 7.025 127.448 120.570 -0.246 0.000 2.291 261 I HA 0.266 4.437 4.170 0.001 0.000 0.290 261 I C 0.039 176.080 176.117 -0.126 0.000 1.050 261 I CA -0.272 60.919 61.300 -0.181 0.000 1.245 261 I CB -0.207 37.623 38.000 -0.283 0.000 1.405 261 I HN 0.310 nan 8.210 nan 0.000 0.478 262 F N 7.689 127.696 119.950 0.094 0.000 2.406 262 F HA 0.270 4.798 4.527 0.001 0.000 0.327 262 F C -0.984 174.846 175.800 0.050 0.000 1.153 262 F CA -1.572 56.502 58.000 0.123 0.000 1.218 262 F CB -0.104 38.928 39.000 0.053 0.000 1.215 262 F HN 0.332 nan 8.300 nan 0.000 0.570 263 P HA -0.149 nan 4.420 nan 0.000 0.223 263 P C 0.543 177.864 177.300 0.035 0.000 1.144 263 P CA 1.319 64.433 63.100 0.023 0.000 0.783 263 P CB -0.029 31.576 31.700 -0.158 0.000 0.771 264 D N -1.270 119.172 120.400 0.069 0.000 2.325 264 D HA 0.101 4.742 4.640 0.001 0.000 0.225 264 D C 0.338 176.672 176.300 0.057 0.000 1.096 264 D CA -0.345 53.680 54.000 0.042 0.000 0.844 264 D CB -0.485 40.327 40.800 0.020 0.000 0.925 264 D HN -0.031 nan 8.370 nan 0.000 0.513 265 A N 0.599 123.467 122.820 0.079 0.000 2.388 265 A HA 0.199 4.519 4.320 0.001 0.000 0.257 265 A C 0.199 177.821 177.584 0.062 0.000 1.095 265 A CA -0.519 51.563 52.037 0.075 0.000 0.791 265 A CB 0.431 19.479 19.000 0.079 0.000 1.029 265 A HN 0.153 nan 8.150 nan 0.000 0.489 266 D N 2.181 122.618 120.400 0.061 0.000 2.401 266 D HA 0.049 4.689 4.640 0.001 0.000 0.254 266 D C 0.836 177.186 176.300 0.085 0.000 1.192 266 D CA 0.162 54.200 54.000 0.062 0.000 0.885 266 D CB 0.515 41.347 40.800 0.053 0.000 1.147 266 D HN 0.475 nan 8.370 nan 0.000 0.478 267 L N 3.205 124.487 121.223 0.099 0.000 2.313 267 L HA -0.078 4.263 4.340 0.001 0.000 0.214 267 L C 1.782 178.747 176.870 0.159 0.000 1.119 267 L CA 0.395 55.331 54.840 0.161 0.000 0.809 267 L CB -0.064 42.102 42.059 0.178 0.000 0.933 267 L HN 0.413 nan 8.230 nan 0.000 0.449 268 D N 0.229 120.688 120.400 0.097 0.000 2.097 268 D HA -0.196 4.444 4.640 0.001 0.000 0.197 268 D C 2.173 178.521 176.300 0.079 0.000 0.984 268 D CA 1.045 55.088 54.000 0.072 0.000 0.826 268 D CB -0.004 40.823 40.800 0.046 0.000 0.973 268 D HN 0.236 nan 8.370 nan 0.000 0.460 269 R N 0.994 121.540 120.500 0.077 0.000 2.081 269 R HA -0.097 4.243 4.340 0.001 0.000 0.235 269 R C 2.170 178.531 176.300 0.102 0.000 1.131 269 R CA 1.398 57.542 56.100 0.074 0.000 0.960 269 R CB -0.137 30.201 30.300 0.063 0.000 0.856 269 R HN 0.052 nan 8.270 nan 0.000 0.436 270 A N 0.804 123.705 122.820 0.136 0.000 1.902 270 A HA -0.114 4.206 4.320 0.001 0.000 0.217 270 A C 2.352 180.119 177.584 0.304 0.000 1.181 270 A CA 1.760 53.907 52.037 0.183 0.000 0.623 270 A CB -0.716 18.373 19.000 0.148 0.000 0.818 270 A HN 0.556 nan 8.150 nan 0.000 0.443 271 A N -0.177 122.821 122.820 0.297 0.000 1.897 271 A HA -0.124 4.196 4.320 0.001 0.000 0.215 271 A C 1.776 179.400 177.584 0.067 0.000 1.181 271 A CA 1.721 53.849 52.037 0.153 0.000 0.620 271 A CB -0.539 18.449 19.000 -0.020 0.000 0.821 271 A HN 0.443 nan 8.150 nan 0.000 0.443 272 D N 0.252 120.689 120.400 0.062 0.000 2.104 272 D HA -0.153 4.487 4.640 0.001 0.000 0.194 272 D C 1.847 178.164 176.300 0.029 0.000 0.994 272 D CA 1.316 55.340 54.000 0.040 0.000 0.830 272 D CB -0.366 40.457 40.800 0.038 0.000 0.959 272 D HN 0.516 nan 8.370 nan 0.000 0.452 273 I N 1.080 121.675 120.570 0.042 0.000 2.179 273 I HA -0.270 3.900 4.170 0.001 0.000 0.242 273 I C 2.495 178.561 176.117 -0.086 0.000 1.088 273 I CA 1.128 62.434 61.300 0.011 0.000 1.357 273 I CB -0.222 37.819 38.000 0.068 0.000 1.051 273 I HN -0.070 nan 8.210 nan 0.000 0.409 274 A N 0.591 123.393 122.820 -0.030 0.000 1.908 274 A HA -0.187 4.133 4.320 0.001 0.000 0.218 274 A C 2.399 179.875 177.584 -0.179 0.000 1.181 274 A CA 2.268 54.244 52.037 -0.102 0.000 0.627 274 A CB -1.081 18.008 19.000 0.148 0.000 0.818 274 A HN 0.389 nan 8.150 nan 0.000 0.445 275 V N -3.394 116.485 119.914 -0.057 0.000 2.379 275 V HA -0.193 3.928 4.120 0.001 0.000 0.245 275 V C 2.282 178.390 176.094 0.023 0.000 1.044 275 V CA 1.731 64.055 62.300 0.041 0.000 1.036 275 V CB -0.950 30.979 31.823 0.176 0.000 0.664 275 V HN 0.378 nan 8.190 nan 0.000 0.453 276 M N 1.268 120.868 119.600 -0.001 0.000 2.149 276 M HA -0.022 4.459 4.480 0.001 0.000 0.261 276 M C 2.295 178.530 176.300 -0.108 0.000 1.064 276 M CA 2.239 57.545 55.300 0.010 0.000 1.102 276 M CB -1.379 31.204 32.600 -0.028 0.000 1.369 276 M HN 0.576 nan 8.290 nan 0.000 0.408 277 A N -0.553 122.059 122.820 -0.346 0.000 2.235 277 A HA -0.026 4.295 4.320 0.001 0.000 0.208 277 A C 1.766 179.049 177.584 -0.501 0.000 1.172 277 A CA 0.879 52.510 52.037 -0.677 0.000 0.786 277 A CB -0.407 17.672 19.000 -1.533 0.000 0.804 277 A HN 0.549 nan 8.150 nan 0.000 0.479 278 N N -2.227 116.184 118.700 -0.480 0.000 2.325 278 N HA 0.152 4.893 4.740 0.001 0.000 0.220 278 N C -0.093 175.055 175.510 -0.602 0.000 1.176 278 N CA 0.489 53.124 53.050 -0.693 0.000 0.861 278 N CB 0.506 38.286 38.487 -1.179 0.000 1.230 278 N HN 0.410 nan 8.380 nan 0.000 0.479 279 F N -0.219 119.782 119.950 0.085 0.000 2.767 279 F HA 0.354 4.881 4.527 0.001 0.000 0.323 279 F C 0.405 176.345 175.800 0.235 0.000 1.091 279 F CA -0.964 57.155 58.000 0.199 0.000 1.192 279 F CB -0.273 38.819 39.000 0.153 0.000 1.056 279 F HN -0.181 nan 8.300 nan 0.000 0.571 280 F N 1.465 121.519 119.950 0.173 0.000 2.563 280 F HA 0.209 4.736 4.527 0.001 0.000 0.363 280 F C 1.513 177.348 175.800 0.060 0.000 1.123 280 F CA 0.400 58.471 58.000 0.119 0.000 1.307 280 F CB 0.488 39.540 39.000 0.086 0.000 1.115 280 F HN 0.036 nan 8.300 nan 0.000 0.592 281 S N 2.580 118.016 115.700 -0.441 0.000 3.521 281 S HA -0.270 4.201 4.470 0.001 0.000 0.362 281 S C 0.547 174.982 174.600 -0.276 0.000 1.044 281 S CA 0.885 58.889 58.200 -0.327 0.000 1.091 281 S CB -1.893 61.241 63.200 -0.110 0.000 0.908 281 S HN 0.974 nan 8.310 nan 0.000 0.473 282 S N -1.729 113.758 115.700 -0.355 0.000 3.587 282 S HA -0.142 4.328 4.470 0.001 0.000 0.337 282 S C 1.432 175.990 174.600 -0.069 0.000 1.119 282 S CA 1.051 58.959 58.200 -0.487 0.000 0.976 282 S CB -1.800 60.941 63.200 -0.766 0.000 0.922 282 S HN 2.463 nan 8.310 nan 0.000 0.503 283 G N 0.069 108.889 108.800 0.033 0.000 2.148 283 G HA2 -0.314 3.647 3.960 0.001 0.000 0.254 283 G HA3 -0.314 3.647 3.960 0.001 0.000 0.254 283 G C -0.117 174.629 174.900 -0.256 0.000 0.981 283 G CA 0.478 45.563 45.100 -0.025 0.000 0.670 283 G HN 0.689 nan 8.290 nan 0.000 0.528 284 Q N 0.009 119.613 119.800 -0.327 0.000 2.735 284 Q HA 0.493 4.834 4.340 0.001 0.000 0.380 284 Q C -0.273 175.332 176.000 -0.659 0.000 1.060 284 Q CA -0.187 55.131 55.803 -0.809 0.000 1.025 284 Q CB 1.315 29.885 28.738 -0.280 0.000 1.350 284 Q HN 0.319 nan 8.270 nan 0.000 0.424 285 V N 0.058 119.701 119.914 -0.452 0.000 2.531 285 V HA 0.059 4.179 4.120 0.001 0.000 0.301 285 V C 1.328 177.483 176.094 0.101 0.000 1.034 285 V CA -0.921 61.360 62.300 -0.032 0.000 0.865 285 V CB 1.104 32.996 31.823 0.117 0.000 0.995 285 V HN 0.722 nan 8.190 nan 0.000 0.424 286 C N 1.675 121.148 119.300 0.289 0.000 2.376 286 C HA -0.167 4.293 4.460 0.001 0.000 0.275 286 C C 2.551 177.669 174.990 0.214 0.000 1.200 286 C CA 1.729 60.929 59.018 0.304 0.000 1.756 286 C CB -1.797 26.036 27.740 0.154 0.000 2.050 286 C HN 0.965 nan 8.230 nan 0.000 0.460 287 T N -1.656 113.034 114.554 0.228 0.000 3.215 287 T HA 0.064 4.415 4.350 0.001 0.000 0.254 287 T C 0.307 175.324 174.700 0.528 0.000 1.149 287 T CA 0.021 62.319 62.100 0.330 0.000 1.042 287 T CB -1.065 68.041 68.868 0.397 0.000 0.966 287 T HN 0.511 nan 8.240 nan 0.000 0.534 288 N N 2.346 121.251 118.700 0.343 0.000 2.353 288 N HA 0.260 5.001 4.740 0.001 0.000 0.248 288 N C 0.607 176.224 175.510 0.179 0.000 1.240 288 N CA 0.383 53.573 53.050 0.234 0.000 0.862 288 N CB 0.493 38.988 38.487 0.014 0.000 1.086 288 N HN 0.509 nan 8.380 nan 0.000 0.453 289 G N 0.123 108.788 108.800 -0.226 0.000 3.161 289 G HA2 0.143 4.103 3.960 0.001 0.000 0.293 289 G HA3 0.143 4.103 3.960 0.001 0.000 0.293 289 G C 1.013 175.729 174.900 -0.306 0.000 0.893 289 G CA -0.413 44.439 45.100 -0.414 0.000 1.756 289 G HN 0.615 nan 8.290 nan 0.000 0.549 290 T N -1.527 112.950 114.554 -0.129 0.000 3.100 290 T HA 0.168 4.518 4.350 0.001 0.000 0.253 290 T C 1.040 175.674 174.700 -0.109 0.000 1.118 290 T CA -0.001 62.018 62.100 -0.134 0.000 1.058 290 T CB 0.313 69.129 68.868 -0.085 0.000 0.953 290 T HN 0.295 nan 8.240 nan 0.000 0.515 291 R N 1.174 121.626 120.500 -0.079 0.000 2.288 291 R HA 0.594 4.934 4.340 0.001 0.000 0.326 291 R C -1.551 174.650 176.300 -0.165 0.000 0.959 291 R CA -0.500 55.514 56.100 -0.144 0.000 0.834 291 R CB 2.005 32.262 30.300 -0.071 0.000 1.157 291 R HN 0.114 nan 8.270 nan 0.000 0.470 292 V N 5.170 124.939 119.914 -0.241 0.000 2.334 292 V HA 0.358 4.479 4.120 0.001 0.000 0.281 292 V C -0.499 175.472 176.094 -0.204 0.000 1.016 292 V CA -0.659 61.564 62.300 -0.129 0.000 0.832 292 V CB 0.861 32.666 31.823 -0.029 0.000 0.999 292 V HN 0.548 nan 8.190 nan 0.000 0.439 293 F N 5.505 125.421 119.950 -0.056 0.000 2.411 293 F HA 0.613 5.141 4.527 0.001 0.000 0.355 293 F C 0.037 175.867 175.800 0.050 0.000 1.117 293 F CA -0.361 57.650 58.000 0.018 0.000 1.139 293 F CB 1.408 40.344 39.000 -0.107 0.000 1.120 293 F HN 0.339 nan 8.300 nan 0.000 0.493 294 I N 3.006 123.698 120.570 0.202 0.000 2.509 294 I HA 0.316 4.487 4.170 0.001 0.000 0.293 294 I C -0.435 175.550 176.117 -0.220 0.000 1.020 294 I CA -0.642 60.639 61.300 -0.032 0.000 1.088 294 I CB 1.077 38.946 38.000 -0.219 0.000 1.267 294 I HN 0.528 nan 8.210 nan 0.000 0.430 295 H N 5.234 123.981 119.070 -0.538 0.000 2.897 295 H HA 0.191 4.747 4.556 0.001 0.000 0.347 295 H C 1.319 176.419 175.328 -0.380 0.000 1.068 295 H CA 0.783 56.330 56.048 -0.836 0.000 1.426 295 H CB 0.817 30.265 29.762 -0.524 0.000 1.410 295 H HN 0.597 nan 8.280 nan 0.000 0.597 296 R N 1.920 121.894 120.500 -0.876 0.000 2.117 296 R HA -0.190 4.151 4.340 0.001 0.000 0.243 296 R C 1.928 178.116 176.300 -0.187 0.000 1.143 296 R CA 1.802 57.639 56.100 -0.438 0.000 0.968 296 R CB -0.271 29.769 30.300 -0.432 0.000 0.863 296 R HN 0.768 nan 8.270 nan 0.000 0.444 297 S N -0.727 114.953 115.700 -0.033 0.000 2.481 297 S HA -0.084 4.387 4.470 0.001 0.000 0.231 297 S C 1.416 176.068 174.600 0.086 0.000 0.996 297 S CA 0.693 58.964 58.200 0.119 0.000 0.942 297 S CB 0.213 63.569 63.200 0.260 0.000 0.768 297 S HN 0.481 nan 8.310 nan 0.000 0.520 298 Q N -0.151 119.692 119.800 0.072 0.000 2.217 298 Q HA 0.209 4.549 4.340 0.001 0.000 0.217 298 Q C 1.880 177.934 176.000 0.090 0.000 0.844 298 Q CA -0.121 55.724 55.803 0.071 0.000 0.957 298 Q CB 0.109 28.884 28.738 0.061 0.000 1.127 298 Q HN 0.717 nan 8.270 nan 0.000 0.503 299 Q N 1.208 121.039 119.800 0.051 0.000 2.045 299 Q HA -0.234 4.107 4.340 0.001 0.000 0.206 299 Q C 1.871 177.941 176.000 0.117 0.000 0.991 299 Q CA 1.919 57.775 55.803 0.087 0.000 0.851 299 Q CB -0.032 28.721 28.738 0.025 0.000 0.911 299 Q HN 0.387 nan 8.270 nan 0.000 0.418 300 A N 0.691 123.552 122.820 0.068 0.000 1.902 300 A HA -0.178 4.143 4.320 0.001 0.000 0.217 300 A C 2.072 179.689 177.584 0.055 0.000 1.181 300 A CA 1.531 53.597 52.037 0.048 0.000 0.623 300 A CB -0.457 18.559 19.000 0.028 0.000 0.818 300 A HN 0.380 nan 8.150 nan 0.000 0.443 301 R N -2.027 118.520 120.500 0.078 0.000 2.092 301 R HA -0.054 4.287 4.340 0.001 0.000 0.231 301 R C 1.950 178.316 176.300 0.110 0.000 1.119 301 R CA 1.458 57.604 56.100 0.078 0.000 0.970 301 R CB -0.439 29.911 30.300 0.083 0.000 0.864 301 R HN 0.574 nan 8.270 nan 0.000 0.440 302 F N 2.061 122.013 119.950 0.005 0.000 2.134 302 F HA -0.145 4.382 4.527 0.001 0.000 0.299 302 F C 1.782 177.581 175.800 -0.002 0.000 1.097 302 F CA 1.559 59.562 58.000 0.005 0.000 1.264 302 F CB -0.097 38.909 39.000 0.010 0.000 1.001 302 F HN -0.029 nan 8.300 nan 0.000 0.479 303 E N 0.128 120.280 120.200 -0.080 0.000 2.077 303 E HA -0.209 4.141 4.350 0.001 0.000 0.193 303 E C 2.376 178.870 176.600 -0.177 0.000 0.989 303 E CA 1.077 57.373 56.400 -0.173 0.000 0.800 303 E CB -0.454 29.220 29.700 -0.043 0.000 0.746 303 E HN 0.484 nan 8.360 nan 0.000 0.452 304 A N 1.572 124.331 122.820 -0.101 0.000 1.933 304 A HA -0.229 4.091 4.320 0.001 0.000 0.218 304 A C 1.951 179.467 177.584 -0.114 0.000 1.175 304 A CA 1.490 53.476 52.037 -0.086 0.000 0.628 304 A CB -0.259 18.716 19.000 -0.042 0.000 0.814 304 A HN 0.048 nan 8.150 nan 0.000 0.444 305 K N -0.600 119.717 120.400 -0.138 0.000 2.103 305 K HA -0.002 4.318 4.320 0.001 0.000 0.204 305 K C 1.884 178.363 176.600 -0.202 0.000 1.052 305 K CA 1.172 57.378 56.287 -0.135 0.000 0.945 305 K CB -0.238 32.215 32.500 -0.078 0.000 0.722 305 K HN 0.313 nan 8.250 nan 0.000 0.443 306 V N 2.016 121.716 119.914 -0.356 0.000 2.270 306 V HA -0.236 3.884 4.120 0.001 0.000 0.245 306 V C 2.245 178.219 176.094 -0.199 0.000 1.043 306 V CA 1.539 63.639 62.300 -0.334 0.000 1.014 306 V CB -0.428 31.092 31.823 -0.506 0.000 0.645 306 V HN 0.259 nan 8.190 nan 0.000 0.447 307 L N 0.011 121.119 121.223 -0.192 0.000 2.013 307 L HA -0.285 4.055 4.340 0.001 0.000 0.212 307 L C 2.644 179.432 176.870 -0.136 0.000 1.073 307 L CA 2.372 57.121 54.840 -0.153 0.000 0.753 307 L CB -0.721 41.259 42.059 -0.131 0.000 0.890 307 L HN 0.469 nan 8.230 nan 0.000 0.432 308 E N 0.420 120.549 120.200 -0.117 0.000 2.085 308 E HA -0.261 4.090 4.350 0.001 0.000 0.194 308 E C 2.325 178.868 176.600 -0.096 0.000 0.994 308 E CA 1.388 57.732 56.400 -0.094 0.000 0.801 308 E CB 0.094 29.749 29.700 -0.074 0.000 0.743 308 E HN 0.410 nan 8.360 nan 0.000 0.453 309 R N -0.266 120.175 120.500 -0.098 0.000 2.073 309 R HA -0.038 4.303 4.340 0.001 0.000 0.229 309 R C 2.485 178.709 176.300 -0.125 0.000 1.120 309 R CA 1.081 57.130 56.100 -0.085 0.000 0.967 309 R CB -0.106 30.160 30.300 -0.055 0.000 0.862 309 R HN 0.073 nan 8.270 nan 0.000 0.436 310 V N 1.292 121.107 119.914 -0.166 0.000 2.358 310 V HA -0.252 3.868 4.120 0.001 0.000 0.246 310 V C 2.193 178.120 176.094 -0.279 0.000 1.047 310 V CA 1.689 63.821 62.300 -0.281 0.000 1.035 310 V CB -0.467 31.170 31.823 -0.310 0.000 0.658 310 V HN 0.359 nan 8.190 nan 0.000 0.452 311 Q N 0.037 119.715 119.800 -0.203 0.000 2.248 311 Q HA -0.224 4.116 4.340 0.001 0.000 0.208 311 Q C 2.132 178.036 176.000 -0.160 0.000 0.984 311 Q CA 1.671 57.368 55.803 -0.176 0.000 0.875 311 Q CB -0.155 28.505 28.738 -0.131 0.000 0.910 311 Q HN 0.731 nan 8.270 nan 0.000 0.433 312 R N -0.145 120.269 120.500 -0.143 0.000 2.427 312 R HA 0.226 4.567 4.340 0.001 0.000 0.262 312 R C 0.129 176.356 176.300 -0.121 0.000 0.943 312 R CA -0.194 55.840 56.100 -0.110 0.000 1.081 312 R CB -0.000 30.255 30.300 -0.075 0.000 1.166 312 R HN 0.060 nan 8.270 nan 0.000 0.534 313 I N 2.630 123.087 120.570 -0.189 0.000 2.648 313 I HA 0.007 4.177 4.170 0.001 0.000 0.284 313 I C 0.423 176.439 176.117 -0.169 0.000 1.153 313 I CA 0.051 61.225 61.300 -0.210 0.000 1.426 313 I CB 0.680 38.432 38.000 -0.414 0.000 1.381 313 I HN 0.116 nan 8.210 nan 0.000 0.571 314 R N 6.811 127.266 120.500 -0.075 0.000 2.825 314 R HA 0.314 4.655 4.340 0.001 0.000 0.261 314 R C -0.494 175.821 176.300 0.024 0.000 1.341 314 R CA -0.575 55.509 56.100 -0.028 0.000 1.353 314 R CB 0.371 30.674 30.300 0.005 0.000 1.191 314 R HN 0.529 nan 8.270 nan 0.000 0.590 315 L N 1.881 123.088 121.223 -0.027 0.000 2.410 315 L HA 0.425 4.766 4.340 0.001 0.000 0.273 315 L C 0.204 177.055 176.870 -0.031 0.000 1.152 315 L CA 0.623 55.488 54.840 0.043 0.000 0.855 315 L CB 0.562 42.564 42.059 -0.096 0.000 1.129 315 L HN 0.666 nan 8.230 nan 0.000 0.463 316 G N 3.082 111.913 108.800 0.052 0.000 2.342 316 G HA2 0.081 4.041 3.960 0.001 0.000 0.297 316 G HA3 0.081 4.041 3.960 0.001 0.000 0.297 316 G C -1.829 173.270 174.900 0.331 0.000 1.313 316 G CA -0.744 44.474 45.100 0.196 0.000 0.830 316 G HN 0.559 nan 8.290 nan 0.000 0.506 317 D N 0.442 121.056 120.400 0.356 0.000 2.472 317 D HA 0.203 4.844 4.640 0.001 0.000 0.248 317 D C -0.967 175.434 176.300 0.169 0.000 1.174 317 D CA -1.400 52.767 54.000 0.280 0.000 0.883 317 D CB 1.590 42.488 40.800 0.163 0.000 1.149 317 D HN -0.026 nan 8.370 nan 0.000 0.488 318 P HA -0.115 nan 4.420 nan 0.000 0.225 318 P C 0.966 178.288 177.300 0.037 0.000 1.148 318 P CA 0.903 64.033 63.100 0.049 0.000 0.779 318 P CB 0.240 31.942 31.700 0.003 0.000 0.780 319 Q N -0.759 119.072 119.800 0.052 0.000 2.311 319 Q HA -0.037 4.303 4.340 0.001 0.000 0.203 319 Q C 0.569 176.590 176.000 0.034 0.000 0.954 319 Q CA 0.686 56.511 55.803 0.037 0.000 0.885 319 Q CB -0.476 28.284 28.738 0.037 0.000 0.963 319 Q HN 0.313 nan 8.270 nan 0.000 0.471 320 D N 1.494 121.921 120.400 0.045 0.000 2.343 320 D HA -0.001 4.639 4.640 0.001 0.000 0.255 320 D C 0.563 176.883 176.300 0.033 0.000 1.187 320 D CA 0.154 54.178 54.000 0.039 0.000 0.875 320 D CB 0.902 41.731 40.800 0.049 0.000 1.136 320 D HN 0.032 nan 8.370 nan 0.000 0.469 321 E N 2.496 122.711 120.200 0.026 0.000 2.209 321 E HA -0.219 4.132 4.350 0.001 0.000 0.196 321 E C 0.953 177.569 176.600 0.026 0.000 0.993 321 E CA 0.983 57.398 56.400 0.024 0.000 0.819 321 E CB 0.018 29.731 29.700 0.022 0.000 0.745 321 E HN 0.536 nan 8.360 nan 0.000 0.477 322 N N -0.168 118.549 118.700 0.028 0.000 2.515 322 N HA -0.029 4.712 4.740 0.001 0.000 0.185 322 N C -0.303 175.228 175.510 0.035 0.000 1.109 322 N CA 0.362 53.429 53.050 0.029 0.000 0.903 322 N CB 0.416 38.918 38.487 0.025 0.000 0.969 322 N HN -0.075 nan 8.380 nan 0.000 0.450 323 T N 0.920 115.498 114.554 0.041 0.000 2.884 323 T HA 0.075 4.425 4.350 0.001 0.000 0.298 323 T C 0.829 175.551 174.700 0.036 0.000 0.998 323 T CA -0.197 61.934 62.100 0.052 0.000 1.124 323 T CB 0.597 69.505 68.868 0.067 0.000 0.931 323 T HN 0.395 nan 8.240 nan 0.000 0.531 324 N N 1.361 120.093 118.700 0.053 0.000 2.194 324 N HA 0.157 4.897 4.740 0.001 0.000 0.231 324 N C -0.772 174.791 175.510 0.088 0.000 1.247 324 N CA -0.448 52.626 53.050 0.040 0.000 0.884 324 N CB 0.263 38.785 38.487 0.059 0.000 1.146 324 N HN 0.501 nan 8.380 nan 0.000 0.516 325 F N 0.412 120.306 119.950 -0.093 0.000 2.787 325 F HA 0.687 5.214 4.527 0.001 0.000 0.340 325 F C -0.049 175.708 175.800 -0.073 0.000 1.232 325 F CA -0.788 57.148 58.000 -0.107 0.000 1.051 325 F CB 1.147 40.079 39.000 -0.113 0.000 1.330 325 F HN 0.049 nan 8.300 nan 0.000 0.522 326 G N 4.470 113.008 108.800 -0.437 0.000 2.642 326 G HA2 0.681 4.641 3.960 0.001 0.000 0.291 326 G HA3 0.681 4.641 3.960 0.001 0.000 0.291 326 G C -2.946 171.651 174.900 -0.505 0.000 1.345 326 G CA -1.765 43.163 45.100 -0.287 0.000 1.043 326 G HN 0.364 nan 8.290 nan 0.000 0.528 327 P HA 0.234 nan 4.420 nan 0.000 0.274 327 P C 0.108 177.081 177.300 -0.545 0.000 1.256 327 P CA -0.379 62.152 63.100 -0.948 0.000 0.795 327 P CB 1.013 31.942 31.700 -1.285 0.000 1.038 328 L N 0.545 121.514 121.223 -0.424 0.000 2.476 328 L HA 0.083 4.423 4.340 0.001 0.000 0.255 328 L C 2.256 178.973 176.870 -0.254 0.000 1.218 328 L CA -0.337 54.361 54.840 -0.236 0.000 0.819 328 L CB 0.027 42.025 42.059 -0.102 0.000 1.119 328 L HN 0.130 nan 8.230 nan 0.000 0.485 329 V N -0.032 119.738 119.914 -0.240 0.000 2.759 329 V HA -0.095 4.025 4.120 0.001 0.000 0.256 329 V C 0.850 176.751 176.094 -0.323 0.000 1.080 329 V CA 1.592 63.676 62.300 -0.360 0.000 1.101 329 V CB 0.166 31.522 31.823 -0.778 0.000 0.698 329 V HN 0.925 nan 8.190 nan 0.000 0.477 330 S N -3.391 112.154 115.700 -0.259 0.000 2.567 330 S HA 0.377 4.848 4.470 0.001 0.000 0.270 330 S C -0.076 174.499 174.600 -0.042 0.000 1.152 330 S CA -0.436 57.697 58.200 -0.111 0.000 0.835 330 S CB 0.499 63.594 63.200 -0.174 0.000 1.115 330 S HN 0.037 nan 8.310 nan 0.000 0.459 331 F N 1.062 120.970 119.950 -0.070 0.000 2.146 331 F HA 0.152 4.680 4.527 0.001 0.000 0.298 331 F C -0.788 175.002 175.800 -0.017 0.000 1.096 331 F CA 1.367 59.346 58.000 -0.035 0.000 1.275 331 F CB -1.201 37.786 39.000 -0.022 0.000 1.008 331 F HN 0.451 nan 8.300 nan 0.000 0.480 332 P HA -0.183 nan 4.420 nan 0.000 0.217 332 P C 1.148 178.506 177.300 0.097 0.000 1.150 332 P CA 1.624 64.784 63.100 0.101 0.000 0.832 332 P CB -0.115 31.630 31.700 0.076 0.000 0.787 333 H N -0.756 118.296 119.070 -0.029 0.000 2.389 333 H HA -0.062 4.494 4.556 0.001 0.000 0.299 333 H C 1.960 177.303 175.328 0.026 0.000 1.081 333 H CA 1.589 57.638 56.048 0.001 0.000 1.345 333 H CB -0.754 28.948 29.762 -0.100 0.000 1.393 333 H HN -0.052 nan 8.280 nan 0.000 0.520 334 M N -0.059 119.483 119.600 -0.095 0.000 2.108 334 M HA -0.165 4.316 4.480 0.001 0.000 0.261 334 M C 1.709 177.962 176.300 -0.079 0.000 1.066 334 M CA 1.883 57.097 55.300 -0.143 0.000 1.107 334 M CB 0.094 32.581 32.600 -0.188 0.000 1.356 334 M HN 0.183 nan 8.290 nan 0.000 0.406 335 E N 0.140 120.327 120.200 -0.023 0.000 2.085 335 E HA -0.189 4.161 4.350 0.001 0.000 0.194 335 E C 2.125 178.723 176.600 -0.004 0.000 0.994 335 E CA 1.615 58.019 56.400 0.006 0.000 0.801 335 E CB -0.698 29.023 29.700 0.036 0.000 0.743 335 E HN 0.601 nan 8.360 nan 0.000 0.453 336 S N 0.224 115.923 115.700 -0.002 0.000 2.359 336 S HA -0.131 4.340 4.470 0.001 0.000 0.224 336 S C 2.164 176.807 174.600 0.072 0.000 1.035 336 S CA 1.377 59.592 58.200 0.025 0.000 1.018 336 S CB -0.163 63.100 63.200 0.106 0.000 0.876 336 S HN 0.076 nan 8.310 nan 0.000 0.448 337 V N 2.127 122.042 119.914 0.002 0.000 2.343 337 V HA -0.129 3.992 4.120 0.001 0.000 0.247 337 V C 2.411 178.581 176.094 0.127 0.000 1.051 337 V CA 1.802 64.155 62.300 0.088 0.000 1.036 337 V CB -0.716 31.069 31.823 -0.063 0.000 0.654 337 V HN 0.482 nan 8.190 nan 0.000 0.451 338 L N 0.388 121.643 121.223 0.053 0.000 2.131 338 L HA -0.095 4.246 4.340 0.001 0.000 0.210 338 L C 2.619 179.525 176.870 0.061 0.000 1.092 338 L CA 1.578 56.454 54.840 0.061 0.000 0.759 338 L CB -1.109 40.968 42.059 0.030 0.000 0.903 338 L HN 0.481 nan 8.230 nan 0.000 0.435 339 G N -0.957 107.851 108.800 0.014 0.000 2.418 339 G HA2 -0.291 3.669 3.960 0.001 0.000 0.217 339 G HA3 -0.291 3.669 3.960 0.001 0.000 0.217 339 G C 1.304 176.166 174.900 -0.065 0.000 1.158 339 G CA 0.559 45.624 45.100 -0.059 0.000 0.771 339 G HN 0.237 nan 8.290 nan 0.000 0.545 340 Y N 0.573 120.900 120.300 0.045 0.000 2.200 340 Y HA 0.042 4.592 4.550 0.001 0.000 0.290 340 Y C 2.773 178.713 175.900 0.067 0.000 1.137 340 Y CA 0.696 58.825 58.100 0.048 0.000 1.163 340 Y CB -0.256 38.243 38.460 0.066 0.000 0.988 340 Y HN 0.113 nan 8.280 nan 0.000 0.518 341 I N -0.375 120.371 120.570 0.293 0.000 2.208 341 I HA -0.293 3.877 4.170 0.001 0.000 0.245 341 I C 2.350 178.622 176.117 0.258 0.000 1.097 341 I CA 1.315 62.827 61.300 0.352 0.000 1.363 341 I CB -0.270 37.897 38.000 0.279 0.000 1.051 341 I HN 0.220 nan 8.210 nan 0.000 0.413 342 E N 0.295 120.580 120.200 0.141 0.000 2.051 342 E HA -0.228 4.122 4.350 0.001 0.000 0.192 342 E C 2.279 178.903 176.600 0.039 0.000 0.991 342 E CA 1.529 57.980 56.400 0.084 0.000 0.799 342 E CB -0.422 29.302 29.700 0.040 0.000 0.748 342 E HN 0.333 nan 8.360 nan 0.000 0.449 343 S N -0.061 115.646 115.700 0.012 0.000 2.372 343 S HA -0.182 4.289 4.470 0.001 0.000 0.227 343 S C 2.086 176.632 174.600 -0.092 0.000 1.044 343 S CA 1.923 60.108 58.200 -0.025 0.000 1.050 343 S CB -0.545 62.654 63.200 -0.002 0.000 0.901 343 S HN 0.393 nan 8.310 nan 0.000 0.447 344 G N 0.896 109.575 108.800 -0.201 0.000 2.418 344 G HA2 -0.184 3.777 3.960 0.001 0.000 0.217 344 G HA3 -0.184 3.777 3.960 0.001 0.000 0.217 344 G C 1.538 176.212 174.900 -0.378 0.000 1.158 344 G CA 0.912 45.650 45.100 -0.604 0.000 0.771 344 G HN 0.585 nan 8.290 nan 0.000 0.545 345 K N 0.615 120.982 120.400 -0.054 0.000 2.026 345 K HA 0.078 4.398 4.320 0.001 0.000 0.208 345 K C 2.951 179.562 176.600 0.017 0.000 1.048 345 K CA 1.035 57.375 56.287 0.088 0.000 0.929 345 K CB -0.282 32.311 32.500 0.155 0.000 0.713 345 K HN 0.242 nan 8.250 nan 0.000 0.439 346 A N 1.426 124.245 122.820 -0.002 0.000 1.978 346 A HA -0.216 4.104 4.320 0.001 0.000 0.220 346 A C 1.778 179.350 177.584 -0.021 0.000 1.170 346 A CA 1.432 53.465 52.037 -0.006 0.000 0.636 346 A CB -0.350 18.645 19.000 -0.008 0.000 0.810 346 A HN 0.346 nan 8.150 nan 0.000 0.448 347 Q N -2.059 117.711 119.800 -0.050 0.000 2.320 347 Q HA 0.139 4.479 4.340 0.001 0.000 0.201 347 Q C -0.304 175.668 176.000 -0.048 0.000 0.910 347 Q CA 0.141 55.914 55.803 -0.050 0.000 0.946 347 Q CB 0.405 29.104 28.738 -0.065 0.000 1.062 347 Q HN 0.447 nan 8.270 nan 0.000 0.503 348 K N -1.307 119.071 120.400 -0.037 0.000 3.379 348 K HA -0.147 4.174 4.320 0.001 0.000 0.300 348 K C -0.505 176.092 176.600 -0.004 0.000 1.302 348 K CA 0.704 56.988 56.287 -0.006 0.000 0.877 348 K CB -1.979 30.522 32.500 0.001 0.000 1.343 348 K HN 0.397 nan 8.250 nan 0.000 0.488 349 A N 1.051 123.839 122.820 -0.053 0.000 2.483 349 A HA 0.320 4.641 4.320 0.001 0.000 0.238 349 A C 0.383 178.069 177.584 0.169 0.000 1.070 349 A CA 0.282 52.317 52.037 -0.004 0.000 0.770 349 A CB 0.215 19.092 19.000 -0.205 0.000 1.008 349 A HN 0.330 nan 8.150 nan 0.000 0.497 350 R N 1.996 122.607 120.500 0.185 0.000 2.267 350 R HA 0.362 4.703 4.340 0.001 0.000 0.319 350 R C -0.781 175.648 176.300 0.216 0.000 1.067 350 R CA -0.568 55.632 56.100 0.166 0.000 0.936 350 R CB 0.259 30.610 30.300 0.086 0.000 1.006 350 R HN 0.609 nan 8.270 nan 0.000 0.452 351 L N 5.868 127.180 121.223 0.148 0.000 2.369 351 L HA 0.120 4.460 4.340 0.001 0.000 0.279 351 L C 0.167 176.977 176.870 -0.099 0.000 1.108 351 L CA 0.288 55.087 54.840 -0.069 0.000 0.852 351 L CB 1.048 43.044 42.059 -0.104 0.000 1.169 351 L HN 0.862 nan 8.230 nan 0.000 0.452 352 L N 4.686 125.823 121.223 -0.143 0.000 2.253 352 L HA 0.290 4.630 4.340 0.001 0.000 0.205 352 L C -0.013 176.766 176.870 -0.152 0.000 1.078 352 L CA 0.900 55.672 54.840 -0.114 0.000 0.805 352 L CB 0.363 42.369 42.059 -0.088 0.000 0.963 352 L HN 0.697 nan 8.230 nan 0.000 0.459 353 C N -1.051 118.122 119.300 -0.211 0.000 2.880 353 C HA 0.745 5.205 4.460 0.001 0.000 0.320 353 C C 0.745 175.577 174.990 -0.264 0.000 1.176 353 C CA -0.862 58.024 59.018 -0.220 0.000 1.390 353 C CB 0.641 28.245 27.740 -0.226 0.000 1.846 353 C HN 0.813 nan 8.230 nan 0.000 0.478 354 G N 1.413 110.074 108.800 -0.233 0.000 2.531 354 G HA2 0.292 4.253 3.960 0.001 0.000 0.274 354 G HA3 0.292 4.253 3.960 0.001 0.000 0.274 354 G C 0.872 175.655 174.900 -0.195 0.000 1.159 354 G CA 1.089 46.058 45.100 -0.219 0.000 0.969 354 G HN 2.718 nan 8.290 nan 0.000 0.554 355 G N -0.682 108.012 108.800 -0.177 0.000 2.131 355 G HA2 0.309 4.269 3.960 0.001 0.000 0.223 355 G HA3 0.309 4.269 3.960 0.001 0.000 0.223 355 G C 0.054 174.930 174.900 -0.040 0.000 0.990 355 G CA 1.641 46.662 45.100 -0.132 0.000 0.671 355 G HN 2.226 nan 8.290 nan 0.000 0.521 356 E N -1.487 118.688 120.200 -0.041 0.000 2.423 356 E HA 0.602 4.953 4.350 0.001 0.000 0.280 356 E C -0.210 176.385 176.600 -0.009 0.000 1.030 356 E CA -1.324 55.068 56.400 -0.013 0.000 0.812 356 E CB 1.120 30.811 29.700 -0.017 0.000 1.313 356 E HN 0.269 nan 8.360 nan 0.000 0.456 357 R N 0.845 121.348 120.500 0.006 0.000 2.643 357 R HA 0.246 4.587 4.340 0.001 0.000 0.270 357 R C -0.877 175.429 176.300 0.011 0.000 1.061 357 R CA -0.223 55.885 56.100 0.014 0.000 1.107 357 R CB 0.746 31.059 30.300 0.022 0.000 0.999 357 R HN 0.385 nan 8.270 nan 0.000 0.460 358 V N 4.375 124.298 119.914 0.016 0.000 2.347 358 V HA 0.170 4.290 4.120 0.001 0.000 0.280 358 V C 0.865 176.999 176.094 0.068 0.000 1.021 358 V CA -0.172 62.126 62.300 -0.004 0.000 0.847 358 V CB 1.308 33.053 31.823 -0.129 0.000 0.990 358 V HN 1.090 nan 8.190 nan 0.000 0.444 359 T N -0.921 113.686 114.554 0.089 0.000 3.040 359 T HA 0.152 4.503 4.350 0.001 0.000 0.266 359 T C 0.290 175.054 174.700 0.107 0.000 1.005 359 T CA -0.425 61.745 62.100 0.117 0.000 0.906 359 T CB -0.000 68.918 68.868 0.083 0.000 1.082 359 T HN 0.518 nan 8.240 nan 0.000 0.531 360 D N 2.571 123.038 120.400 0.113 0.000 2.506 360 D HA 0.349 4.989 4.640 0.001 0.000 0.234 360 D C 1.503 177.774 176.300 -0.047 0.000 1.143 360 D CA 1.683 55.716 54.000 0.054 0.000 0.871 360 D CB 0.387 41.233 40.800 0.077 0.000 1.190 360 D HN 0.492 nan 8.370 nan 0.000 0.459 361 G N 2.010 110.745 108.800 -0.107 0.000 2.634 361 G HA2 -0.340 3.621 3.960 0.001 0.000 0.309 361 G HA3 -0.340 3.621 3.960 0.001 0.000 0.309 361 G C 1.049 175.805 174.900 -0.239 0.000 1.265 361 G CA 1.270 46.246 45.100 -0.207 0.000 0.998 361 G HN 0.768 nan 8.290 nan 0.000 0.551 362 A N -1.096 121.477 122.820 -0.412 0.000 2.168 362 A HA 0.408 4.729 4.320 0.001 0.000 0.215 362 A C 2.066 179.523 177.584 -0.212 0.000 1.152 362 A CA 2.070 53.922 52.037 -0.309 0.000 0.716 362 A CB -0.412 18.390 19.000 -0.330 0.000 0.794 362 A HN 0.690 nan 8.150 nan 0.000 0.465 363 F N 0.208 120.070 119.950 -0.146 0.000 2.365 363 F HA 0.043 4.570 4.527 0.001 0.000 0.300 363 F C 2.443 178.257 175.800 0.023 0.000 1.090 363 F CA 0.276 58.134 58.000 -0.237 0.000 1.408 363 F CB -1.124 37.594 39.000 -0.471 0.000 1.060 363 F HN 0.279 nan 8.300 nan 0.000 0.534 364 G N 0.023 108.926 108.800 0.173 0.000 2.470 364 G HA2 -0.231 3.729 3.960 0.001 0.000 0.220 364 G HA3 -0.231 3.729 3.960 0.001 0.000 0.220 364 G C 1.748 176.781 174.900 0.221 0.000 1.121 364 G CA 0.461 45.662 45.100 0.169 0.000 0.766 364 G HN 0.300 nan 8.290 nan 0.000 0.553 365 K N 0.065 120.596 120.400 0.218 0.000 2.296 365 K HA 0.107 4.427 4.320 0.001 0.000 0.200 365 K C 1.445 178.299 176.600 0.424 0.000 1.048 365 K CA 0.453 56.889 56.287 0.248 0.000 0.966 365 K CB 0.282 32.882 32.500 0.165 0.000 0.754 365 K HN 0.289 nan 8.250 nan 0.000 0.466 366 G N 0.002 109.062 108.800 0.433 0.000 3.108 366 G HA2 0.530 4.490 3.960 0.001 0.000 0.268 366 G HA3 0.530 4.490 3.960 0.001 0.000 0.268 366 G C -1.335 173.460 174.900 -0.175 0.000 1.361 366 G CA -0.662 44.611 45.100 0.288 0.000 1.047 366 G HN 0.078 nan 8.290 nan 0.000 0.540 367 A N 0.008 122.434 122.820 -0.657 0.000 3.095 367 A HA 0.620 4.940 4.320 0.001 0.000 0.301 367 A C -1.179 176.119 177.584 -0.476 0.000 1.432 367 A CA -0.486 51.083 52.037 -0.779 0.000 1.140 367 A CB -0.626 17.765 19.000 -1.015 0.000 1.174 367 A HN 0.447 nan 8.150 nan 0.000 0.546 368 Y N 0.469 120.633 120.300 -0.226 0.000 2.353 368 Y HA 0.446 4.997 4.550 0.001 0.000 0.340 368 Y C 0.106 175.935 175.900 -0.118 0.000 0.972 368 Y CA -0.415 57.580 58.100 -0.176 0.000 1.157 368 Y CB 1.728 40.053 38.460 -0.225 0.000 1.157 368 Y HN 0.231 nan 8.280 nan 0.000 0.495 369 V N 3.922 123.871 119.914 0.059 0.000 2.417 369 V HA 0.600 4.721 4.120 0.001 0.000 0.291 369 V C 0.191 176.375 176.094 0.149 0.000 1.024 369 V CA -1.286 61.057 62.300 0.071 0.000 0.861 369 V CB 1.274 33.123 31.823 0.043 0.000 0.985 369 V HN 0.917 nan 8.190 nan 0.000 0.436 370 A N 7.474 130.306 122.820 0.021 0.000 2.531 370 A HA 0.453 4.773 4.320 0.001 0.000 0.236 370 A C -2.333 175.133 177.584 -0.198 0.000 1.062 370 A CA -0.763 51.202 52.037 -0.120 0.000 0.760 370 A CB -0.391 18.509 19.000 -0.167 0.000 0.995 370 A HN 0.668 nan 8.150 nan 0.000 0.501 371 P HA 0.171 nan 4.420 nan 0.000 0.263 371 P C -0.451 176.566 177.300 -0.471 0.000 1.195 371 P CA 0.591 63.224 63.100 -0.778 0.000 0.762 371 P CB 0.517 31.279 31.700 -1.564 0.000 0.799 372 T N 2.856 117.339 114.554 -0.120 0.000 2.824 372 T HA 0.462 4.812 4.350 0.001 0.000 0.282 372 T C -0.479 174.224 174.700 0.006 0.000 0.993 372 T CA -0.434 61.599 62.100 -0.111 0.000 0.967 372 T CB 1.016 69.825 68.868 -0.099 0.000 0.960 372 T HN -0.026 nan 8.240 nan 0.000 0.441 373 V N 4.041 123.857 119.914 -0.162 0.000 2.483 373 V HA 0.545 4.665 4.120 0.001 0.000 0.297 373 V C -1.059 174.903 176.094 -0.220 0.000 1.027 373 V CA -0.879 61.376 62.300 -0.076 0.000 0.855 373 V CB 1.106 32.916 31.823 -0.023 0.000 0.995 373 V HN 0.775 nan 8.190 nan 0.000 0.424 374 F N 2.434 122.394 119.950 0.018 0.000 2.450 374 F HA 0.745 5.272 4.527 0.001 0.000 0.332 374 F C 0.635 176.431 175.800 -0.005 0.000 1.093 374 F CA -0.082 57.920 58.000 0.004 0.000 1.003 374 F CB 2.219 41.223 39.000 0.006 0.000 1.151 374 F HN 0.488 nan 8.300 nan 0.000 0.474 375 T N -0.154 114.518 114.554 0.196 0.000 2.773 375 T HA 0.347 4.697 4.350 0.001 0.000 0.278 375 T C -0.945 173.807 174.700 0.086 0.000 1.011 375 T CA -0.450 61.714 62.100 0.107 0.000 1.014 375 T CB 0.856 69.765 68.868 0.067 0.000 1.293 375 T HN 0.593 nan 8.240 nan 0.000 0.554 376 D N 0.130 120.558 120.400 0.047 0.000 2.837 376 D HA -0.139 4.502 4.640 0.001 0.000 0.230 376 D C 0.087 176.396 176.300 0.015 0.000 1.152 376 D CA 0.440 54.457 54.000 0.028 0.000 0.736 376 D CB -2.154 38.665 40.800 0.033 0.000 1.084 376 D HN 0.534 nan 8.370 nan 0.000 0.429 377 C N 0.154 119.455 119.300 0.001 0.000 2.580 377 C HA 0.566 5.026 4.460 0.001 0.000 0.371 377 C C 1.288 176.261 174.990 -0.028 0.000 1.308 377 C CA -0.521 58.481 59.018 -0.027 0.000 2.428 377 C CB 0.663 28.375 27.740 -0.048 0.000 2.529 377 C HN 0.181 nan 8.230 nan 0.000 0.657 378 R N 0.693 121.176 120.500 -0.028 0.000 2.807 378 R HA 0.273 4.613 4.340 0.001 0.000 0.276 378 R C -0.119 176.181 176.300 0.000 0.000 0.979 378 R CA -0.776 55.321 56.100 -0.006 0.000 0.928 378 R CB 1.092 31.393 30.300 0.002 0.000 1.191 378 R HN 0.566 nan 8.270 nan 0.000 0.471 379 D N 1.131 121.549 120.400 0.030 0.000 2.221 379 D HA -0.170 4.471 4.640 0.001 0.000 0.204 379 D C 1.135 177.460 176.300 0.041 0.000 0.982 379 D CA 1.521 55.551 54.000 0.050 0.000 0.857 379 D CB 0.056 40.907 40.800 0.085 0.000 0.934 379 D HN 0.596 nan 8.370 nan 0.000 0.475 380 D N -0.569 119.849 120.400 0.029 0.000 2.349 380 D HA -0.089 4.552 4.640 0.001 0.000 0.215 380 D C 0.757 177.068 176.300 0.018 0.000 1.016 380 D CA -0.088 53.928 54.000 0.027 0.000 0.870 380 D CB -0.209 40.605 40.800 0.023 0.000 0.917 380 D HN 0.173 nan 8.370 nan 0.000 0.524 381 M N 1.078 120.679 119.600 0.002 0.000 2.249 381 M HA 0.008 4.488 4.480 0.001 0.000 0.340 381 M C 1.392 177.699 176.300 0.011 0.000 1.166 381 M CA 0.089 55.380 55.300 -0.015 0.000 1.115 381 M CB 0.934 33.500 32.600 -0.057 0.000 1.606 381 M HN -0.190 nan 8.290 nan 0.000 0.448 382 T N 3.089 117.659 114.554 0.027 0.000 2.699 382 T HA -0.169 4.182 4.350 0.001 0.000 0.268 382 T C 1.538 176.300 174.700 0.104 0.000 1.036 382 T CA 2.007 64.161 62.100 0.091 0.000 1.147 382 T CB -0.534 68.403 68.868 0.114 0.000 0.862 382 T HN 0.774 nan 8.240 nan 0.000 0.446 383 I N -0.306 120.287 120.570 0.038 0.000 2.614 383 I HA -0.017 4.153 4.170 0.001 0.000 0.258 383 I C 2.051 178.148 176.117 -0.033 0.000 1.189 383 I CA 0.863 62.159 61.300 -0.007 0.000 1.462 383 I CB -0.564 37.381 38.000 -0.091 0.000 1.092 383 I HN 0.023 nan 8.210 nan 0.000 0.442 384 V N 1.043 120.946 119.914 -0.019 0.000 2.725 384 V HA 0.038 4.159 4.120 0.001 0.000 0.247 384 V C 2.637 178.754 176.094 0.039 0.000 1.058 384 V CA 1.180 63.474 62.300 -0.010 0.000 1.080 384 V CB -0.614 31.195 31.823 -0.023 0.000 0.713 384 V HN 0.373 nan 8.190 nan 0.000 0.465 385 R N 0.180 120.718 120.500 0.063 0.000 2.127 385 R HA 0.115 4.456 4.340 0.001 0.000 0.217 385 R C 0.447 176.841 176.300 0.156 0.000 1.074 385 R CA 0.519 56.684 56.100 0.109 0.000 0.991 385 R CB 0.208 30.567 30.300 0.098 0.000 0.895 385 R HN 0.539 nan 8.270 nan 0.000 0.450 386 E N 1.109 121.375 120.200 0.110 0.000 2.183 386 E HA 0.102 4.453 4.350 0.001 0.000 0.271 386 E C -1.047 175.529 176.600 -0.039 0.000 0.919 386 E CA -0.415 56.059 56.400 0.124 0.000 0.781 386 E CB 2.045 31.865 29.700 0.200 0.000 1.140 386 E HN 0.042 nan 8.360 nan 0.000 0.402 387 E N 3.197 123.397 120.200 -0.001 0.000 2.415 387 E HA -0.038 4.312 4.350 0.001 0.000 0.260 387 E C 0.231 176.712 176.600 -0.198 0.000 1.016 387 E CA 0.154 56.489 56.400 -0.108 0.000 0.924 387 E CB 0.444 30.068 29.700 -0.127 0.000 0.961 387 E HN 0.533 nan 8.360 nan 0.000 0.459 388 I N 4.410 124.835 120.570 -0.242 0.000 2.731 388 I HA -0.018 4.153 4.170 0.001 0.000 0.260 388 I C 0.531 176.747 176.117 0.164 0.000 1.138 388 I CA -0.071 61.028 61.300 -0.335 0.000 1.461 388 I CB 0.151 37.958 38.000 -0.322 0.000 1.128 388 I HN 0.693 nan 8.210 nan 0.000 0.438 389 F N 1.902 121.867 119.950 0.026 0.000 3.080 389 F HA -0.193 4.335 4.527 0.001 0.000 0.292 389 F C 0.361 176.345 175.800 0.308 0.000 0.891 389 F CA 0.568 58.676 58.000 0.180 0.000 1.086 389 F CB -1.259 37.906 39.000 0.275 0.000 1.095 389 F HN 0.145 nan 8.300 nan 0.000 0.633 390 G N -0.620 108.262 108.800 0.136 0.000 2.788 390 G HA2 0.663 4.623 3.960 0.001 0.000 0.293 390 G HA3 0.663 4.623 3.960 0.001 0.000 0.293 390 G C -3.124 171.843 174.900 0.110 0.000 1.392 390 G CA -0.814 44.354 45.100 0.112 0.000 0.810 390 G HN -0.162 nan 8.290 nan 0.000 0.508 391 P HA 0.350 nan 4.420 nan 0.000 0.225 391 P C -0.684 176.849 177.300 0.389 0.000 1.813 391 P CA -0.245 63.105 63.100 0.417 0.000 1.013 391 P CB 0.432 32.517 31.700 0.641 0.000 1.961 392 V N 3.434 123.460 119.914 0.186 0.000 2.419 392 V HA 0.331 4.451 4.120 0.001 0.000 0.287 392 V C 0.149 176.275 176.094 0.054 0.000 1.017 392 V CA -0.595 61.810 62.300 0.174 0.000 0.844 392 V CB 1.906 33.847 31.823 0.196 0.000 1.011 392 V HN 0.348 nan 8.190 nan 0.000 0.429 393 M N 3.491 123.115 119.600 0.040 0.000 2.188 393 M HA 0.484 4.965 4.480 0.001 0.000 0.357 393 M C -0.293 176.044 176.300 0.061 0.000 1.204 393 M CA 0.233 55.500 55.300 -0.055 0.000 1.095 393 M CB 1.215 33.744 32.600 -0.118 0.000 1.604 393 M HN 0.592 nan 8.290 nan 0.000 0.464 394 S N 6.312 122.016 115.700 0.007 0.000 2.474 394 S HA 0.526 4.996 4.470 0.001 0.000 0.321 394 S C -0.405 174.165 174.600 -0.050 0.000 1.080 394 S CA -0.667 57.544 58.200 0.018 0.000 1.106 394 S CB 0.526 63.709 63.200 -0.028 0.000 0.984 394 S HN 0.650 nan 8.310 nan 0.000 0.464 395 I N 4.061 124.634 120.570 0.003 0.000 2.342 395 I HA 0.352 4.522 4.170 0.001 0.000 0.291 395 I C -0.760 175.315 176.117 -0.071 0.000 1.010 395 I CA -0.431 60.867 61.300 -0.004 0.000 1.308 395 I CB 0.830 38.894 38.000 0.106 0.000 1.400 395 I HN 0.347 nan 8.210 nan 0.000 0.488 396 L N 6.877 127.992 121.223 -0.180 0.000 2.362 396 L HA 0.517 4.857 4.340 0.001 0.000 0.275 396 L C -0.462 176.387 176.870 -0.035 0.000 0.998 396 L CA -0.761 53.963 54.840 -0.194 0.000 0.820 396 L CB 2.048 43.796 42.059 -0.519 0.000 1.270 396 L HN 0.229 nan 8.230 nan 0.000 0.415 397 V N 2.869 122.796 119.914 0.023 0.000 2.509 397 V HA 0.379 4.500 4.120 0.001 0.000 0.284 397 V C -0.603 175.572 176.094 0.136 0.000 1.047 397 V CA -0.364 61.951 62.300 0.025 0.000 0.952 397 V CB 1.063 32.860 31.823 -0.042 0.000 0.988 397 V HN 0.648 nan 8.190 nan 0.000 0.469 398 Y N 1.093 121.405 120.300 0.019 0.000 2.633 398 Y HA 0.642 5.192 4.550 0.001 0.000 0.339 398 Y C 0.229 176.073 175.900 -0.094 0.000 1.045 398 Y CA -1.338 56.782 58.100 0.035 0.000 1.098 398 Y CB 1.432 39.965 38.460 0.122 0.000 1.296 398 Y HN 0.461 nan 8.280 nan 0.000 0.494 399 D N 0.244 120.692 120.400 0.080 0.000 2.463 399 D HA 0.064 4.704 4.640 0.001 0.000 0.237 399 D C -0.777 175.703 176.300 0.301 0.000 1.013 399 D CA 1.034 55.020 54.000 -0.023 0.000 0.910 399 D CB 0.558 41.360 40.800 0.004 0.000 1.080 399 D HN 0.815 nan 8.370 nan 0.000 0.498 400 D N -0.978 119.675 120.400 0.422 0.000 2.581 400 D HA 0.104 4.744 4.640 0.001 0.000 0.232 400 D C 0.737 177.253 176.300 0.360 0.000 1.143 400 D CA -0.735 53.502 54.000 0.395 0.000 0.881 400 D CB 1.968 42.898 40.800 0.217 0.000 1.500 400 D HN -0.223 nan 8.370 nan 0.000 0.458 401 E N 0.272 120.655 120.200 0.305 0.000 2.070 401 E HA -0.305 4.046 4.350 0.001 0.000 0.197 401 E C 0.576 177.227 176.600 0.086 0.000 1.004 401 E CA 1.714 58.265 56.400 0.253 0.000 0.805 401 E CB 0.008 29.836 29.700 0.214 0.000 0.744 401 E HN 0.501 nan 8.360 nan 0.000 0.451 402 D N 0.287 120.728 120.400 0.069 0.000 2.144 402 D HA -0.169 4.472 4.640 0.001 0.000 0.200 402 D C 1.787 178.082 176.300 -0.009 0.000 0.978 402 D CA 0.944 54.958 54.000 0.023 0.000 0.833 402 D CB -0.313 40.505 40.800 0.031 0.000 0.961 402 D HN 0.383 nan 8.370 nan 0.000 0.470 403 E N 0.838 121.050 120.200 0.021 0.000 2.038 403 E HA -0.213 4.138 4.350 0.001 0.000 0.195 403 E C 1.995 178.529 176.600 -0.110 0.000 1.000 403 E CA 1.227 57.633 56.400 0.010 0.000 0.803 403 E CB -0.016 29.741 29.700 0.095 0.000 0.750 403 E HN 0.132 nan 8.360 nan 0.000 0.448 404 A N 1.197 123.866 122.820 -0.251 0.000 1.892 404 A HA -0.205 4.116 4.320 0.001 0.000 0.218 404 A C 2.241 179.453 177.584 -0.620 0.000 1.188 404 A CA 1.731 53.370 52.037 -0.663 0.000 0.631 404 A CB -0.742 17.533 19.000 -1.208 0.000 0.822 404 A HN 0.373 nan 8.150 nan 0.000 0.447 405 I N -1.085 119.282 120.570 -0.338 0.000 2.252 405 I HA -0.255 3.915 4.170 0.001 0.000 0.245 405 I C 2.794 178.807 176.117 -0.174 0.000 1.102 405 I CA 1.282 62.447 61.300 -0.225 0.000 1.385 405 I CB -0.304 37.645 38.000 -0.085 0.000 1.064 405 I HN 0.287 nan 8.210 nan 0.000 0.414 406 R N 0.385 120.813 120.500 -0.120 0.000 2.083 406 R HA -0.154 4.186 4.340 0.001 0.000 0.237 406 R C 2.438 178.699 176.300 -0.065 0.000 1.137 406 R CA 1.368 57.430 56.100 -0.063 0.000 0.951 406 R CB -0.338 29.945 30.300 -0.027 0.000 0.851 406 R HN 0.388 nan 8.270 nan 0.000 0.434 407 R N 0.068 120.501 120.500 -0.112 0.000 2.090 407 R HA -0.003 4.337 4.340 0.001 0.000 0.228 407 R C 2.307 178.580 176.300 -0.045 0.000 1.110 407 R CA 1.112 57.192 56.100 -0.034 0.000 0.973 407 R CB -0.316 30.015 30.300 0.052 0.000 0.869 407 R HN 0.195 nan 8.270 nan 0.000 0.440 408 A N 1.820 124.455 122.820 -0.308 0.000 1.933 408 A HA -0.163 4.157 4.320 0.001 0.000 0.218 408 A C 1.645 179.221 177.584 -0.012 0.000 1.175 408 A CA 1.452 53.371 52.037 -0.197 0.000 0.628 408 A CB -0.317 18.466 19.000 -0.362 0.000 0.814 408 A HN 0.233 nan 8.150 nan 0.000 0.444 409 N N 0.104 118.786 118.700 -0.030 0.000 2.463 409 N HA -0.024 4.716 4.740 0.001 0.000 0.181 409 N C -0.141 175.398 175.510 0.048 0.000 1.078 409 N CA 0.535 53.598 53.050 0.020 0.000 0.902 409 N CB -0.176 38.317 38.487 0.010 0.000 0.970 409 N HN 0.413 nan 8.380 nan 0.000 0.451 410 D N 0.727 121.159 120.400 0.052 0.000 2.551 410 D HA 0.112 4.752 4.640 0.001 0.000 0.223 410 D C -0.710 175.640 176.300 0.084 0.000 1.144 410 D CA 0.243 54.280 54.000 0.062 0.000 1.025 410 D CB -0.180 40.657 40.800 0.062 0.000 1.085 410 D HN -0.070 nan 8.370 nan 0.000 0.506 411 T N 0.546 115.147 114.554 0.078 0.000 2.893 411 T HA 0.140 4.490 4.350 0.001 0.000 0.337 411 T C 0.414 175.138 174.700 0.041 0.000 1.587 411 T CA -0.554 61.600 62.100 0.090 0.000 1.066 411 T CB 1.089 70.063 68.868 0.177 0.000 1.414 411 T HN 0.116 nan 8.240 nan 0.000 0.488 412 E N 0.961 121.129 120.200 -0.054 0.000 2.427 412 E HA 0.076 4.427 4.350 0.001 0.000 0.196 412 E C -0.269 176.247 176.600 -0.139 0.000 1.028 412 E CA 0.421 56.740 56.400 -0.135 0.000 0.864 412 E CB 0.154 29.709 29.700 -0.242 0.000 0.813 412 E HN 0.486 nan 8.360 nan 0.000 0.514 413 Y N -0.313 120.026 120.300 0.065 0.000 2.260 413 Y HA 0.398 4.949 4.550 0.001 0.000 0.339 413 Y C 1.416 177.362 175.900 0.078 0.000 1.317 413 Y CA 0.202 58.345 58.100 0.072 0.000 1.514 413 Y CB 1.070 39.576 38.460 0.076 0.000 1.382 413 Y HN -0.115 nan 8.280 nan 0.000 0.581 414 G N 0.203 109.169 108.800 0.276 0.000 5.473 414 G HA2 0.110 4.070 3.960 0.001 0.000 0.206 414 G HA3 0.110 4.070 3.960 0.001 0.000 0.206 414 G C -0.071 174.876 174.900 0.077 0.000 0.904 414 G CA -0.232 44.964 45.100 0.160 0.000 0.697 414 G HN 0.511 nan 8.290 nan 0.000 0.279 415 L N 0.787 122.057 121.223 0.078 0.000 2.062 415 L HA 0.815 5.155 4.340 0.001 0.000 0.202 415 L C 1.217 178.027 176.870 -0.099 0.000 1.079 415 L CA 2.123 56.974 54.840 0.018 0.000 0.755 415 L CB -0.188 41.905 42.059 0.056 0.000 0.913 415 L HN 0.370 nan 8.230 nan 0.000 0.445 416 A N -1.560 121.224 122.820 -0.059 0.000 2.435 416 A HA 0.917 5.237 4.320 0.001 0.000 0.296 416 A C -1.234 176.311 177.584 -0.064 0.000 1.147 416 A CA -0.061 51.862 52.037 -0.190 0.000 0.775 416 A CB 1.326 20.239 19.000 -0.146 0.000 1.340 416 A HN 0.614 nan 8.150 nan 0.000 0.427 417 A N -1.041 121.673 122.820 -0.177 0.000 2.599 417 A HA 0.833 5.154 4.320 0.001 0.000 0.294 417 A C -0.415 177.156 177.584 -0.022 0.000 1.055 417 A CA 0.082 52.142 52.037 0.037 0.000 0.683 417 A CB 0.975 19.957 19.000 -0.029 0.000 1.278 417 A HN 2.469 nan 8.150 nan 0.000 0.412 418 G N -0.742 108.231 108.800 0.287 0.000 2.698 418 G HA2 0.787 4.747 3.960 0.001 0.000 0.293 418 G HA3 0.787 4.747 3.960 0.001 0.000 0.293 418 G C -0.985 174.094 174.900 0.298 0.000 1.437 418 G CA 0.161 45.456 45.100 0.324 0.000 0.852 418 G HN 2.112 nan 8.290 nan 0.000 0.499 419 V N -1.637 118.414 119.914 0.228 0.000 2.823 419 V HA 0.888 5.009 4.120 0.001 0.000 0.312 419 V C -0.718 175.497 176.094 0.202 0.000 1.072 419 V CA -1.121 61.301 62.300 0.204 0.000 0.937 419 V CB 1.734 33.738 31.823 0.300 0.000 1.013 419 V HN 0.740 nan 8.190 nan 0.000 0.430 420 V N 2.997 123.019 119.914 0.181 0.000 2.378 420 V HA 0.821 4.941 4.120 0.001 0.000 0.288 420 V C 0.112 176.335 176.094 0.216 0.000 1.016 420 V CA 0.244 62.639 62.300 0.158 0.000 0.840 420 V CB 0.880 32.765 31.823 0.104 0.000 0.994 420 V HN 1.269 nan 8.190 nan 0.000 0.431 421 T N 3.106 117.755 114.554 0.159 0.000 2.886 421 T HA 0.312 4.662 4.350 0.001 0.000 0.330 421 T C -0.133 174.590 174.700 0.039 0.000 1.488 421 T CA -0.338 61.837 62.100 0.125 0.000 1.054 421 T CB 2.263 71.195 68.868 0.106 0.000 1.348 421 T HN 0.638 nan 8.240 nan 0.000 0.489 422 Q N 0.826 120.638 119.800 0.020 0.000 2.319 422 Q HA 0.184 4.524 4.340 0.001 0.000 0.209 422 Q C -0.469 175.517 176.000 -0.023 0.000 0.884 422 Q CA -0.036 55.768 55.803 0.002 0.000 0.938 422 Q CB 0.459 29.204 28.738 0.012 0.000 1.098 422 Q HN 0.598 nan 8.270 nan 0.000 0.517 423 D N 0.384 120.755 120.400 -0.049 0.000 2.277 423 D HA 0.052 4.692 4.640 0.001 0.000 0.249 423 D C 0.652 176.901 176.300 -0.085 0.000 1.134 423 D CA -0.240 53.718 54.000 -0.069 0.000 0.863 423 D CB 1.136 41.875 40.800 -0.102 0.000 1.143 423 D HN -0.065 nan 8.370 nan 0.000 0.458 424 L N 5.176 126.371 121.223 -0.046 0.000 1.970 424 L HA -0.102 4.238 4.340 0.001 0.000 0.212 424 L C 1.976 178.844 176.870 -0.003 0.000 1.071 424 L CA 2.496 57.331 54.840 -0.008 0.000 0.751 424 L CB -0.693 41.389 42.059 0.037 0.000 0.889 424 L HN 0.582 nan 8.230 nan 0.000 0.432 425 A N -0.435 122.370 122.820 -0.025 0.000 1.877 425 A HA -0.258 4.062 4.320 0.001 0.000 0.216 425 A C 2.541 180.059 177.584 -0.109 0.000 1.186 425 A CA 1.907 53.922 52.037 -0.037 0.000 0.620 425 A CB -0.770 18.202 19.000 -0.046 0.000 0.822 425 A HN 0.545 nan 8.150 nan 0.000 0.443 426 R N -0.387 120.004 120.500 -0.182 0.000 2.091 426 R HA -0.146 4.194 4.340 0.001 0.000 0.238 426 R C 2.308 178.420 176.300 -0.313 0.000 1.136 426 R CA 1.571 57.482 56.100 -0.315 0.000 0.959 426 R CB -0.449 29.569 30.300 -0.469 0.000 0.856 426 R HN 0.455 nan 8.270 nan 0.000 0.437 427 A N 0.689 123.348 122.820 -0.269 0.000 1.865 427 A HA -0.209 4.111 4.320 0.001 0.000 0.217 427 A C 1.959 179.334 177.584 -0.349 0.000 1.191 427 A CA 1.676 53.541 52.037 -0.287 0.000 0.623 427 A CB -0.872 17.917 19.000 -0.351 0.000 0.826 427 A HN 0.476 nan 8.150 nan 0.000 0.444 428 H N -1.112 117.820 119.070 -0.230 0.000 2.363 428 H HA -0.053 4.504 4.556 0.001 0.000 0.301 428 H C 2.280 177.240 175.328 -0.614 0.000 1.074 428 H CA 1.543 57.320 56.048 -0.451 0.000 1.354 428 H CB -0.296 29.228 29.762 -0.396 0.000 1.397 428 H HN 0.585 nan 8.280 nan 0.000 0.516 429 R N 1.131 121.494 120.500 -0.228 0.000 2.083 429 R HA -0.130 4.211 4.340 0.001 0.000 0.237 429 R C 2.395 178.633 176.300 -0.104 0.000 1.137 429 R CA 1.517 57.529 56.100 -0.146 0.000 0.951 429 R CB -0.190 30.049 30.300 -0.101 0.000 0.851 429 R HN 0.231 nan 8.270 nan 0.000 0.434 430 A N 0.955 123.706 122.820 -0.116 0.000 1.858 430 A HA -0.153 4.168 4.320 0.001 0.000 0.216 430 A C 2.106 179.693 177.584 0.005 0.000 1.190 430 A CA 1.375 53.399 52.037 -0.021 0.000 0.617 430 A CB -0.588 18.445 19.000 0.056 0.000 0.827 430 A HN 0.378 nan 8.150 nan 0.000 0.443 431 I N -0.055 120.496 120.570 -0.033 0.000 2.264 431 I HA -0.262 3.908 4.170 0.001 0.000 0.248 431 I C 2.183 178.356 176.117 0.094 0.000 1.111 431 I CA 1.690 62.993 61.300 0.004 0.000 1.382 431 I CB -0.549 37.440 38.000 -0.018 0.000 1.060 431 I HN 0.497 nan 8.210 nan 0.000 0.418 432 H N -1.076 118.001 119.070 0.013 0.000 2.491 432 H HA -0.035 4.521 4.556 0.001 0.000 0.290 432 H C 1.904 177.239 175.328 0.011 0.000 1.050 432 H CA 0.509 56.565 56.048 0.014 0.000 1.309 432 H CB 0.096 29.873 29.762 0.025 0.000 1.392 432 H HN 0.258 nan 8.280 nan 0.000 0.554 433 R N 0.266 120.839 120.500 0.122 0.000 2.280 433 R HA 0.150 4.490 4.340 0.001 0.000 0.195 433 R C -0.110 176.214 176.300 0.041 0.000 0.935 433 R CA -0.129 56.013 56.100 0.071 0.000 1.033 433 R CB 0.487 30.814 30.300 0.045 0.000 0.964 433 R HN 0.118 nan 8.270 nan 0.000 0.489 434 L N 1.601 122.836 121.223 0.021 0.000 2.331 434 L HA 0.122 4.463 4.340 0.001 0.000 0.278 434 L C 0.112 176.952 176.870 -0.049 0.000 1.106 434 L CA 0.078 54.906 54.840 -0.019 0.000 0.824 434 L CB 1.168 43.204 42.059 -0.038 0.000 1.142 434 L HN -0.004 nan 8.230 nan 0.000 0.443 435 E N 3.593 123.780 120.200 -0.022 0.000 2.028 435 E HA 0.440 4.790 4.350 0.001 0.000 0.275 435 E C -0.499 175.987 176.600 -0.191 0.000 1.171 435 E CA -0.293 56.123 56.400 0.026 0.000 1.186 435 E CB 0.614 30.414 29.700 0.166 0.000 1.256 435 E HN 0.615 nan 8.360 nan 0.000 0.474 436 A N -0.066 122.378 122.820 -0.627 0.000 2.572 436 A HA 0.629 4.949 4.320 0.001 0.000 0.295 436 A C 0.876 177.826 177.584 -1.056 0.000 1.072 436 A CA -0.523 51.108 52.037 -0.677 0.000 0.691 436 A CB 1.407 20.217 19.000 -0.316 0.000 1.291 436 A HN 0.418 nan 8.150 nan 0.000 0.404 437 G N -0.164 108.220 108.800 -0.694 0.000 2.551 437 G HA2 0.315 4.275 3.960 0.001 0.000 0.216 437 G HA3 0.315 4.275 3.960 0.001 0.000 0.216 437 G C 0.293 174.971 174.900 -0.371 0.000 1.137 437 G CA 0.600 45.449 45.100 -0.419 0.000 0.798 437 G HN 0.575 nan 8.290 nan 0.000 0.536 438 I N 0.972 121.260 120.570 -0.469 0.000 2.420 438 I HA 0.329 4.499 4.170 0.001 0.000 0.282 438 I C -0.970 174.597 176.117 -0.917 0.000 1.019 438 I CA -0.729 60.155 61.300 -0.693 0.000 1.130 438 I CB 1.888 39.437 38.000 -0.752 0.000 1.262 438 I HN -0.162 nan 8.210 nan 0.000 0.454 439 C N 5.931 124.734 119.300 -0.828 0.000 2.369 439 C HA 0.546 5.006 4.460 0.001 0.000 0.322 439 C C -0.627 174.004 174.990 -0.600 0.000 1.258 439 C CA -0.554 58.094 59.018 -0.617 0.000 1.487 439 C CB 1.355 28.909 27.740 -0.311 0.000 2.165 439 C HN 0.670 nan 8.230 nan 0.000 0.483 440 W N 3.333 124.474 121.300 -0.266 0.000 2.587 440 W HA 0.608 5.268 4.660 0.001 0.000 0.324 440 W C -0.629 175.841 176.519 -0.082 0.000 1.040 440 W CA -1.055 56.166 57.345 -0.207 0.000 1.222 440 W CB 1.123 30.378 29.460 -0.340 0.000 1.381 440 W HN 0.438 nan 8.180 nan 0.000 0.483 441 I N 4.941 125.610 120.570 0.166 0.000 2.328 441 I HA 0.103 4.273 4.170 0.001 0.000 0.287 441 I C 0.085 176.266 176.117 0.107 0.000 1.012 441 I CA -0.449 60.908 61.300 0.095 0.000 1.195 441 I CB 0.756 38.747 38.000 -0.014 0.000 1.350 441 I HN 0.435 nan 8.210 nan 0.000 0.464 442 N N 2.213 120.989 118.700 0.126 0.000 2.782 442 N HA -0.170 4.570 4.740 0.001 0.000 0.251 442 N C -0.169 175.395 175.510 0.090 0.000 1.101 442 N CA 1.385 54.496 53.050 0.101 0.000 0.764 442 N CB -0.853 37.670 38.487 0.061 0.000 1.122 442 N HN 0.794 nan 8.380 nan 0.000 0.561 443 T N -2.157 112.464 114.554 0.112 0.000 2.693 443 T HA 0.580 4.930 4.350 0.001 0.000 0.304 443 T C -2.279 172.413 174.700 -0.014 0.000 1.471 443 T CA -0.497 61.616 62.100 0.021 0.000 0.993 443 T CB 1.462 70.306 68.868 -0.040 0.000 1.554 443 T HN 0.240 nan 8.240 nan 0.000 0.496 444 W N 0.067 121.047 121.300 -0.534 0.000 3.707 444 W HA 0.444 5.104 4.660 0.001 0.000 0.294 444 W C 0.543 176.328 176.519 -1.224 0.000 1.248 444 W CA 0.236 56.987 57.345 -0.989 0.000 1.217 444 W CB 1.077 30.242 29.460 -0.491 0.000 1.306 444 W HN 1.437 nan 8.180 nan 0.000 0.532 445 G N 2.426 109.911 108.800 -2.190 0.000 2.258 445 G HA2 -0.292 3.669 3.960 0.001 0.000 0.233 445 G HA3 -0.292 3.669 3.960 0.001 0.000 0.233 445 G C 0.153 174.762 174.900 -0.486 0.000 1.006 445 G CA 0.366 44.889 45.100 -0.963 0.000 0.620 445 G HN 0.503 nan 8.290 nan 0.000 0.511 446 E N 0.897 120.823 120.200 -0.456 0.000 2.360 446 E HA 0.513 4.863 4.350 0.001 0.000 0.269 446 E C -0.251 176.460 176.600 0.185 0.000 1.022 446 E CA 0.446 56.795 56.400 -0.085 0.000 0.887 446 E CB 0.516 30.172 29.700 -0.073 0.000 0.990 446 E HN 0.131 nan 8.360 nan 0.000 0.426 447 S N 5.354 121.146 115.700 0.154 0.000 2.204 447 S HA 0.311 4.781 4.470 0.001 0.000 0.147 447 S C -2.565 172.052 174.600 0.028 0.000 1.711 447 S CA -1.382 56.922 58.200 0.175 0.000 1.274 447 S CB 0.403 63.795 63.200 0.321 0.000 1.257 447 S HN 0.404 nan 8.310 nan 0.000 0.404 448 P HA 0.153 nan 4.420 nan 0.000 0.266 448 P C 0.802 177.911 177.300 -0.317 0.000 1.193 448 P CA -0.017 62.998 63.100 -0.141 0.000 0.770 448 P CB 0.540 32.165 31.700 -0.125 0.000 0.836 449 A N 2.763 125.323 122.820 -0.433 0.000 1.978 449 A HA -0.230 4.090 4.320 0.001 0.000 0.220 449 A C 1.684 178.638 177.584 -1.051 0.000 1.170 449 A CA 1.697 53.286 52.037 -0.747 0.000 0.636 449 A CB -0.916 17.630 19.000 -0.758 0.000 0.810 449 A HN 0.613 nan 8.150 nan 0.000 0.448 450 E N -1.221 118.477 120.200 -0.837 0.000 2.418 450 E HA 0.068 4.419 4.350 0.001 0.000 0.197 450 E C 0.813 177.241 176.600 -0.287 0.000 1.026 450 E CA 0.314 56.352 56.400 -0.604 0.000 0.862 450 E CB -0.081 29.438 29.700 -0.302 0.000 0.799 450 E HN 0.700 nan 8.360 nan 0.000 0.518 451 M N 1.877 121.315 119.600 -0.271 0.000 2.061 451 M HA 0.286 4.766 4.480 0.001 0.000 0.346 451 M C -2.576 173.637 176.300 -0.145 0.000 1.112 451 M CA -2.638 52.565 55.300 -0.162 0.000 1.021 451 M CB 1.045 33.565 32.600 -0.133 0.000 1.530 451 M HN -0.267 nan 8.290 nan 0.000 0.437 452 P HA 0.057 nan 4.420 nan 0.000 0.263 452 P C -1.230 176.031 177.300 -0.065 0.000 1.195 452 P CA -0.138 62.937 63.100 -0.041 0.000 0.762 452 P CB 0.234 31.936 31.700 0.004 0.000 0.799 453 V N 1.280 121.167 119.914 -0.046 0.000 2.735 453 V HA 1.035 5.156 4.120 0.001 0.000 0.310 453 V C 0.048 176.149 176.094 0.012 0.000 1.061 453 V CA -0.486 61.788 62.300 -0.042 0.000 0.913 453 V CB 1.751 33.563 31.823 -0.018 0.000 1.005 453 V HN 0.819 nan 8.190 nan 0.000 0.428 454 G N 1.407 110.206 108.800 -0.001 0.000 2.322 454 G HA2 0.634 4.594 3.960 0.001 0.000 0.295 454 G HA3 0.634 4.594 3.960 0.001 0.000 0.295 454 G C -0.557 174.370 174.900 0.045 0.000 1.369 454 G CA -0.164 44.959 45.100 0.039 0.000 0.821 454 G HN 1.368 nan 8.290 nan 0.000 0.536 455 G N -1.188 107.665 108.800 0.089 0.000 2.389 455 G HA2 0.578 4.538 3.960 0.001 0.000 0.328 455 G HA3 0.578 4.538 3.960 0.001 0.000 0.328 455 G C -0.956 174.092 174.900 0.247 0.000 1.133 455 G CA -0.436 44.742 45.100 0.129 0.000 0.891 455 G HN 0.422 nan 8.290 nan 0.000 0.485 456 Y N 1.084 121.388 120.300 0.007 0.000 2.300 456 Y HA 0.312 4.862 4.550 0.001 0.000 0.328 456 Y C 1.526 177.441 175.900 0.025 0.000 1.270 456 Y CA -0.625 57.478 58.100 0.006 0.000 1.352 456 Y CB 0.885 39.346 38.460 0.002 0.000 1.286 456 Y HN 0.820 nan 8.280 nan 0.000 0.536 457 K N -0.420 120.053 120.400 0.120 0.000 1.882 457 K HA -0.335 3.986 4.320 0.001 0.000 0.199 457 K C 0.665 177.299 176.600 0.057 0.000 1.562 457 K CA 1.609 57.938 56.287 0.069 0.000 0.515 457 K CB -0.874 31.683 32.500 0.094 0.000 0.682 457 K HN 0.748 nan 8.250 nan 0.000 0.843 458 Q N 0.581 120.402 119.800 0.035 0.000 2.373 458 Q HA 0.093 4.434 4.340 0.001 0.000 0.206 458 Q C 0.865 176.934 176.000 0.116 0.000 0.942 458 Q CA 0.332 56.145 55.803 0.017 0.000 0.953 458 Q CB 0.309 28.991 28.738 -0.093 0.000 1.022 458 Q HN 0.310 nan 8.270 nan 0.000 0.502 459 S N -0.194 115.614 115.700 0.180 0.000 2.548 459 S HA 0.235 4.705 4.470 0.001 0.000 0.215 459 S C 0.498 175.189 174.600 0.152 0.000 0.976 459 S CA 0.364 58.699 58.200 0.226 0.000 0.908 459 S CB 0.730 64.072 63.200 0.237 0.000 0.781 459 S HN 0.546 nan 8.310 nan 0.000 0.519 460 G N -0.075 108.796 108.800 0.119 0.000 2.322 460 G HA2 0.454 4.415 3.960 0.001 0.000 0.295 460 G HA3 0.454 4.415 3.960 0.001 0.000 0.295 460 G C -2.117 172.819 174.900 0.059 0.000 1.369 460 G CA -0.549 44.609 45.100 0.096 0.000 0.821 460 G HN 0.050 nan 8.290 nan 0.000 0.536 461 V N 0.414 120.353 119.914 0.042 0.000 2.733 461 V HA 0.840 4.960 4.120 0.001 0.000 0.306 461 V C 0.926 177.006 176.094 -0.023 0.000 1.084 461 V CA 0.868 63.168 62.300 -0.000 0.000 0.905 461 V CB 1.005 32.824 31.823 -0.007 0.000 1.010 461 V HN 2.737 nan 8.190 nan 0.000 0.424 462 G N 4.672 113.427 108.800 -0.075 0.000 2.698 462 G HA2 -0.095 3.866 3.960 0.001 0.000 0.233 462 G HA3 -0.095 3.866 3.960 0.001 0.000 0.233 462 G C -0.702 174.159 174.900 -0.065 0.000 1.352 462 G CA -0.228 44.788 45.100 -0.139 0.000 0.879 462 G HN 0.745 nan 8.290 nan 0.000 0.567 463 R N -0.164 120.297 120.500 -0.065 0.000 2.817 463 R HA 0.672 5.012 4.340 0.001 0.000 0.268 463 R C -0.564 175.780 176.300 0.072 0.000 1.027 463 R CA -0.739 55.369 56.100 0.013 0.000 0.928 463 R CB 1.510 31.817 30.300 0.011 0.000 1.228 463 R HN 0.758 nan 8.270 nan 0.000 0.469 464 E N 1.016 121.273 120.200 0.096 0.000 2.336 464 E HA 0.407 4.757 4.350 0.001 0.000 0.267 464 E C -0.922 175.708 176.600 0.050 0.000 0.906 464 E CA -0.898 55.583 56.400 0.135 0.000 0.781 464 E CB 1.672 31.497 29.700 0.208 0.000 1.261 464 E HN 0.451 nan 8.360 nan 0.000 0.436 465 N N -0.074 118.679 118.700 0.088 0.000 5.971 465 N HA -0.159 4.582 4.740 0.001 0.000 0.390 465 N C -0.094 175.476 175.510 0.100 0.000 1.130 465 N CA 1.345 54.386 53.050 -0.015 0.000 2.259 465 N CB -0.767 37.478 38.487 -0.403 0.000 0.654 465 N HN 0.966 nan 8.380 nan 0.000 0.614 466 G N -1.418 107.393 108.800 0.017 0.000 2.829 466 G HA2 -0.189 3.772 3.960 0.001 0.000 0.628 466 G HA3 -0.189 3.772 3.960 0.001 0.000 0.628 466 G C 0.983 176.100 174.900 0.362 0.000 1.412 466 G CA -0.017 45.165 45.100 0.136 0.000 0.864 466 G HN 0.646 nan 8.290 nan 0.000 0.544 467 L N -0.222 121.167 121.223 0.277 0.000 2.046 467 L HA -0.087 4.254 4.340 0.001 0.000 0.208 467 L C 3.301 180.295 176.870 0.206 0.000 1.077 467 L CA 2.309 57.284 54.840 0.226 0.000 0.747 467 L CB -0.821 41.316 42.059 0.130 0.000 0.896 467 L HN 0.866 nan 8.230 nan 0.000 0.432 468 T N -1.062 113.604 114.554 0.187 0.000 2.720 468 T HA -0.206 4.144 4.350 0.001 0.000 0.268 468 T C 1.839 176.718 174.700 0.298 0.000 1.037 468 T CA 2.219 64.439 62.100 0.199 0.000 1.144 468 T CB -0.132 68.862 68.868 0.211 0.000 0.864 468 T HN 0.341 nan 8.240 nan 0.000 0.444 469 T N 2.192 116.930 114.554 0.306 0.000 2.746 469 T HA -0.034 4.316 4.350 0.001 0.000 0.267 469 T C 1.771 176.628 174.700 0.263 0.000 1.039 469 T CA 1.254 63.540 62.100 0.311 0.000 1.142 469 T CB -0.495 68.554 68.868 0.302 0.000 0.866 469 T HN 0.233 nan 8.240 nan 0.000 0.444 470 L N 1.624 122.965 121.223 0.196 0.000 2.042 470 L HA -0.025 4.316 4.340 0.001 0.000 0.210 470 L C 2.573 179.497 176.870 0.089 0.000 1.076 470 L CA 1.953 56.833 54.840 0.065 0.000 0.749 470 L CB -1.065 41.059 42.059 0.110 0.000 0.893 470 L HN 0.235 nan 8.230 nan 0.000 0.432 471 A N -1.523 121.324 122.820 0.045 0.000 1.933 471 A HA -0.247 4.074 4.320 0.001 0.000 0.218 471 A C 1.968 179.463 177.584 -0.147 0.000 1.175 471 A CA 1.760 53.748 52.037 -0.082 0.000 0.628 471 A CB -1.072 17.821 19.000 -0.179 0.000 0.814 471 A HN 0.703 nan 8.150 nan 0.000 0.444 472 H N -3.274 115.811 119.070 0.024 0.000 2.556 472 H HA 0.063 4.619 4.556 0.001 0.000 0.268 472 H C 0.321 175.552 175.328 -0.161 0.000 0.996 472 H CA 0.798 56.806 56.048 -0.068 0.000 1.157 472 H CB -0.090 29.608 29.762 -0.106 0.000 1.355 472 H HN 0.618 nan 8.280 nan 0.000 0.597 473 Y N 0.243 120.579 120.300 0.059 0.000 2.607 473 Y HA 0.119 4.669 4.550 0.001 0.000 0.266 473 Y C 0.826 176.738 175.900 0.021 0.000 1.178 473 Y CA -0.294 57.829 58.100 0.039 0.000 1.226 473 Y CB 0.472 38.937 38.460 0.007 0.000 1.144 473 Y HN 0.074 nan 8.280 nan 0.000 0.528 474 T N -1.601 113.014 114.554 0.103 0.000 2.930 474 T HA 0.771 5.121 4.350 0.001 0.000 0.290 474 T C -0.488 174.227 174.700 0.024 0.000 1.052 474 T CA -1.139 60.996 62.100 0.058 0.000 1.017 474 T CB 2.221 71.105 68.868 0.027 0.000 1.137 474 T HN 0.200 nan 8.240 nan 0.000 0.511 475 R N 0.818 121.331 120.500 0.021 0.000 2.637 475 R HA 0.733 5.074 4.340 0.001 0.000 0.291 475 R C -0.756 175.543 176.300 -0.002 0.000 0.963 475 R CA -0.953 55.153 56.100 0.009 0.000 0.901 475 R CB 1.078 31.388 30.300 0.017 0.000 1.160 475 R HN 0.588 nan 8.270 nan 0.000 0.457 476 I N 2.165 122.728 120.570 -0.013 0.000 2.371 476 I HA 0.190 4.360 4.170 0.001 0.000 0.290 476 I C 0.127 176.229 176.117 -0.025 0.000 1.028 476 I CA -0.279 61.009 61.300 -0.019 0.000 1.345 476 I CB 1.062 39.047 38.000 -0.025 0.000 1.407 476 I HN 0.519 nan 8.210 nan 0.000 0.501 477 K N 5.335 125.716 120.400 -0.031 0.000 2.265 477 K HA 0.428 4.748 4.320 0.001 0.000 0.267 477 K C -0.819 175.724 176.600 -0.096 0.000 0.994 477 K CA -0.389 55.864 56.287 -0.056 0.000 0.860 477 K CB 1.222 33.691 32.500 -0.051 0.000 1.099 477 K HN 0.542 nan 8.250 nan 0.000 0.448 478 S N 2.491 118.124 115.700 -0.113 0.000 2.499 478 S HA 0.320 4.791 4.470 0.001 0.000 0.279 478 S C -0.793 173.657 174.600 -0.250 0.000 1.219 478 S CA -0.710 57.393 58.200 -0.161 0.000 1.062 478 S CB 1.305 64.439 63.200 -0.110 0.000 0.978 478 S HN 0.403 nan 8.310 nan 0.000 0.489 479 V N 4.452 124.106 119.914 -0.433 0.000 2.378 479 V HA 0.391 4.511 4.120 0.001 0.000 0.288 479 V C -0.036 175.759 176.094 -0.499 0.000 1.016 479 V CA -0.689 61.278 62.300 -0.554 0.000 0.840 479 V CB 1.424 32.618 31.823 -1.047 0.000 0.994 479 V HN 0.807 nan 8.190 nan 0.000 0.431 480 Q N 3.656 123.266 119.800 -0.317 0.000 2.303 480 Q HA 0.546 4.887 4.340 0.001 0.000 0.257 480 Q C -1.303 174.533 176.000 -0.272 0.000 0.941 480 Q CA -0.446 55.195 55.803 -0.270 0.000 0.931 480 Q CB 1.866 30.511 28.738 -0.154 0.000 1.215 480 Q HN 0.625 nan 8.270 nan 0.000 0.437 481 V N 4.043 123.726 119.914 -0.385 0.000 2.350 481 V HA 0.182 4.303 4.120 0.001 0.000 0.276 481 V C -0.223 175.779 176.094 -0.155 0.000 1.028 481 V CA -0.667 61.451 62.300 -0.302 0.000 0.860 481 V CB 1.173 32.696 31.823 -0.501 0.000 0.990 481 V HN 0.724 nan 8.190 nan 0.000 0.453 482 E N 4.219 124.384 120.200 -0.059 0.000 2.130 482 E HA 0.373 4.724 4.350 0.001 0.000 0.284 482 E C 0.207 176.834 176.600 0.044 0.000 1.018 482 E CA -0.073 56.336 56.400 0.014 0.000 0.817 482 E CB 1.094 30.818 29.700 0.039 0.000 1.078 482 E HN 0.617 nan 8.360 nan 0.000 0.396 483 L N 3.013 124.283 121.223 0.078 0.000 2.616 483 L HA 0.418 4.758 4.340 0.001 0.000 0.229 483 L C 1.137 178.051 176.870 0.072 0.000 1.110 483 L CA 0.148 55.042 54.840 0.089 0.000 0.884 483 L CB 0.326 42.462 42.059 0.128 0.000 1.115 483 L HN 0.563 nan 8.230 nan 0.000 0.481 484 G N -1.265 107.578 108.800 0.071 0.000 3.122 484 G HA2 0.265 4.225 3.960 0.001 0.000 0.180 484 G HA3 0.265 4.225 3.960 0.001 0.000 0.180 484 G C -1.111 173.832 174.900 0.072 0.000 1.279 484 G CA -0.444 44.694 45.100 0.063 0.000 0.987 484 G HN -0.136 nan 8.290 nan 0.000 0.589 485 D N -0.424 120.015 120.400 0.064 0.000 2.341 485 D HA 0.299 4.939 4.640 0.001 0.000 0.245 485 D C -1.105 175.265 176.300 0.117 0.000 1.106 485 D CA 0.332 54.377 54.000 0.076 0.000 0.905 485 D CB 1.569 42.393 40.800 0.040 0.000 1.202 485 D HN 0.169 nan 8.370 nan 0.000 0.426 486 Y N 0.600 120.904 120.300 0.007 0.000 2.341 486 Y HA 0.470 5.021 4.550 0.001 0.000 0.337 486 Y C -0.667 175.236 175.900 0.005 0.000 1.014 486 Y CA -0.967 57.136 58.100 0.005 0.000 1.111 486 Y CB 1.169 39.634 38.460 0.007 0.000 1.194 486 Y HN 0.373 nan 8.280 nan 0.000 0.462 487 A N 4.102 126.529 122.820 -0.654 0.000 2.330 487 A HA 0.659 4.980 4.320 0.001 0.000 0.327 487 A C -0.857 176.381 177.584 -0.576 0.000 1.155 487 A CA -0.546 51.224 52.037 -0.445 0.000 0.803 487 A CB 1.063 19.893 19.000 -0.284 0.000 1.208 487 A HN 0.646 nan 8.150 nan 0.000 0.477 488 S N 0.891 116.444 115.700 -0.245 0.000 2.503 488 S HA 0.419 4.889 4.470 0.001 0.000 0.301 488 S C 0.773 175.281 174.600 -0.153 0.000 1.087 488 S CA -0.039 58.088 58.200 -0.122 0.000 1.042 488 S CB 1.437 64.696 63.200 0.099 0.000 1.043 488 S HN 1.701 nan 8.310 nan 0.000 0.489 489 V N 2.620 122.359 119.914 -0.292 0.000 3.510 489 V HA 0.389 4.510 4.120 0.001 0.000 0.270 489 V C 0.076 175.909 176.094 -0.436 0.000 1.201 489 V CA 0.546 62.594 62.300 -0.420 0.000 1.166 489 V CB -1.355 30.110 31.823 -0.598 0.000 0.825 489 V HN 0.589 nan 8.190 nan 0.000 0.484 490 F N 0.000 119.946 119.950 -0.007 0.000 2.286 490 F HA 0.000 4.527 4.527 0.001 0.000 0.279 490 F CA 0.000 58.002 58.000 0.003 0.000 1.383 490 F CB 0.000 39.008 39.000 0.014 0.000 1.145 490 F HN 0.000 nan 8.300 nan 0.000 0.574