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 2wop_1_A DATA FIRST_RESID 7 DATA SEQUENCE RPAPTTAGAG WDAGVGALVN PSRRRGGTLR LVSSADVDSL DPARTYYVWV DATA SEQUENCE WLLQRLLNRT LMAYPTDPGP AGLVPAPDLA EGPGEVSDGG RTWTYRLRRG DATA SEQUENCE LRYDDGTPIT SDDVRHAVQR VFAQDVLPGG PTYLIPLLDD PERPYPGPYR DATA SEQUENCE TDEPLRSVLT PDEHTIVFRL TRPFSDFDHL MAQPCAAPVP RRSDTGADYG DATA SEQUENCE RDPRSSGPYR VARHEPDTLL HLERNPHWDR ATDPIRPALP DRVELTIGLD DATA SEQUENCE VDVLDARLIA GEFDINLEGR GLQHAAQRRA TADEVLRSHT DNPRTSFLHF DATA SEQUENCE VAMQPHIPPF DNVHVRRAVQ YAADKILLQD ARGGPVNGGD LTTALFPPTL DATA SEQUENCE PAHQDLDLYP TGPDLRGDLD AARAELAAAG LPDGFRAVIG TQRGKFRLVA DATA SEQUENCE DAVVESLARV GIELTVKELD VATYFSLGAG HPETVREHGL GLLVTDWGAD DATA SEQUENCE FPTEYGFLAP LVDGRQIKRN GGNWNLPELD DPEVNALIDE TLHTTDPAAR DATA SEQUENCE AELWRAVERR VMEHAVLLPL VHDKTLHFRN PWVTNVYVHP AFGLYDIQAM DATA SEQUENCE GLAE 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.399 176.300 0.166 0.000 0.893 7 R CA 0.000 56.130 56.100 0.049 0.000 0.921 7 R CB 0.000 30.348 30.300 0.080 0.000 0.687 8 P HA 0.033 nan 4.420 nan 0.000 0.268 8 P C 0.522 177.959 177.300 0.229 0.000 1.208 8 P CA 0.032 63.282 63.100 0.250 0.000 0.777 8 P CB 0.719 32.502 31.700 0.138 0.000 0.875 9 A N 4.722 127.654 122.820 0.187 0.000 1.917 9 A HA -0.152 4.159 4.320 -0.014 0.000 0.219 9 A C -0.456 177.219 177.584 0.151 0.000 1.182 9 A CA 1.872 53.872 52.037 -0.061 0.000 0.633 9 A CB -2.455 16.437 19.000 -0.179 0.000 0.819 9 A HN 0.511 nan 8.150 nan 0.000 0.448 10 P HA -0.083 nan 4.420 nan 0.000 0.228 10 P C 1.206 178.604 177.300 0.163 0.000 1.151 10 P CA 1.775 64.985 63.100 0.183 0.000 0.770 10 P CB -0.183 31.586 31.700 0.115 0.000 0.786 11 T N -6.034 108.614 114.554 0.156 0.000 3.023 11 T HA 0.142 4.483 4.350 -0.014 0.000 0.253 11 T C 0.395 175.176 174.700 0.134 0.000 1.038 11 T CA 0.095 62.269 62.100 0.123 0.000 0.962 11 T CB -0.489 68.436 68.868 0.094 0.000 1.018 11 T HN 0.056 nan 8.240 nan 0.000 0.521 12 T N 0.357 115.025 114.554 0.191 0.000 3.032 12 T HA 0.773 5.114 4.350 -0.014 0.000 0.312 12 T C -0.357 174.488 174.700 0.243 0.000 1.078 12 T CA -0.767 61.442 62.100 0.180 0.000 1.028 12 T CB 1.518 70.486 68.868 0.166 0.000 1.091 12 T HN 0.369 nan 8.240 nan 0.000 0.457 13 A N 1.965 124.852 122.820 0.110 0.000 2.407 13 A HA 0.767 5.079 4.320 -0.014 0.000 0.248 13 A C 0.888 178.433 177.584 -0.065 0.000 1.082 13 A CA 0.136 52.154 52.037 -0.030 0.000 0.785 13 A CB -0.115 18.861 19.000 -0.040 0.000 1.020 13 A HN 1.265 nan 8.150 nan 0.000 0.489 14 G N -0.843 107.717 108.800 -0.400 0.000 2.857 14 G HA2 0.507 4.458 3.960 -0.014 0.000 0.217 14 G HA3 0.507 4.458 3.960 -0.014 0.000 0.217 14 G C 1.051 175.861 174.900 -0.150 0.000 1.357 14 G CA 0.206 45.166 45.100 -0.232 0.000 1.033 14 G HN 1.299 nan 8.290 nan 0.000 0.571 15 A N -1.851 120.908 122.820 -0.100 0.000 2.070 15 A HA 0.477 4.789 4.320 -0.014 0.000 0.220 15 A C 1.416 178.972 177.584 -0.047 0.000 1.159 15 A CA 1.897 53.899 52.037 -0.059 0.000 0.656 15 A CB -0.866 18.104 19.000 -0.049 0.000 0.800 15 A HN 2.471 nan 8.150 nan 0.000 0.453 16 G N -3.380 105.382 108.800 -0.063 0.000 2.525 16 G HA2 0.008 3.959 3.960 -0.014 0.000 0.685 16 G HA3 0.008 3.959 3.960 -0.014 0.000 0.685 16 G C -0.432 174.513 174.900 0.075 0.000 1.285 16 G CA -0.378 44.729 45.100 0.011 0.000 0.849 16 G HN 0.860 nan 8.290 nan 0.000 0.653 17 W N 2.611 123.878 121.300 -0.056 0.000 2.435 17 W HA 0.296 4.954 4.660 -0.003 0.000 0.337 17 W C 0.391 176.905 176.519 -0.008 0.000 1.300 17 W CA 1.907 59.236 57.345 -0.026 0.000 1.298 17 W CB 0.149 29.598 29.460 -0.018 0.000 1.217 17 W HN 0.909 nan 8.180 nan 0.000 0.565 18 D N 2.332 122.463 120.400 -0.449 0.000 3.079 18 D HA -0.243 4.388 4.640 -0.014 0.000 0.214 18 D C 1.396 177.629 176.300 -0.112 0.000 1.145 18 D CA 1.411 55.205 54.000 -0.344 0.000 0.958 18 D CB -1.339 39.282 40.800 -0.297 0.000 1.117 18 D HN 0.472 nan 8.370 nan 0.000 0.416 19 A N 0.094 122.875 122.820 -0.065 0.000 2.019 19 A HA 0.149 4.460 4.320 -0.014 0.000 0.219 19 A C 2.244 179.823 177.584 -0.009 0.000 1.164 19 A CA 1.974 53.996 52.037 -0.024 0.000 0.644 19 A CB -0.295 18.689 19.000 -0.026 0.000 0.805 19 A HN 0.403 nan 8.150 nan 0.000 0.449 20 G N -1.231 107.571 108.800 0.004 0.000 3.141 20 G HA2 0.381 4.332 3.960 -0.014 0.000 0.218 20 G HA3 0.381 4.332 3.960 -0.014 0.000 0.218 20 G C 0.002 174.971 174.900 0.114 0.000 1.170 20 G CA 0.200 45.346 45.100 0.078 0.000 0.769 20 G HN 0.208 nan 8.290 nan 0.000 0.546 21 V N 0.997 120.935 119.914 0.040 0.000 2.318 21 V HA 0.598 4.709 4.120 -0.014 0.000 0.271 21 V C 1.255 177.365 176.094 0.026 0.000 1.030 21 V CA 0.434 62.753 62.300 0.031 0.000 0.844 21 V CB 0.387 32.191 31.823 -0.033 0.000 1.015 21 V HN 0.542 nan 8.190 nan 0.000 0.460 22 G N 3.939 112.767 108.800 0.046 0.000 2.179 22 G HA2 0.026 3.978 3.960 -0.014 0.000 0.260 22 G HA3 0.026 3.978 3.960 -0.014 0.000 0.260 22 G C 0.179 175.079 174.900 0.001 0.000 0.977 22 G CA 0.342 45.452 45.100 0.017 0.000 0.641 22 G HN 1.621 nan 8.290 nan 0.000 0.533 23 A N -1.362 121.468 122.820 0.017 0.000 2.609 23 A HA 0.853 5.165 4.320 -0.014 0.000 0.291 23 A C -1.070 176.519 177.584 0.009 0.000 1.096 23 A CA -0.289 51.741 52.037 -0.012 0.000 0.684 23 A CB 1.483 20.477 19.000 -0.010 0.000 1.282 23 A HN 1.488 nan 8.150 nan 0.000 0.412 24 L N 1.272 122.474 121.223 -0.035 0.000 2.275 24 L HA 0.650 4.981 4.340 -0.014 0.000 0.288 24 L C -0.726 176.140 176.870 -0.006 0.000 1.046 24 L CA -0.251 54.581 54.840 -0.014 0.000 0.805 24 L CB 1.460 43.467 42.059 -0.088 0.000 1.193 24 L HN 0.470 nan 8.230 nan 0.000 0.426 25 V N 5.565 125.477 119.914 -0.003 0.000 2.465 25 V HA 0.310 4.422 4.120 -0.014 0.000 0.279 25 V C 0.365 176.436 176.094 -0.038 0.000 1.045 25 V CA -0.551 61.727 62.300 -0.036 0.000 0.938 25 V CB 1.115 32.891 31.823 -0.078 0.000 0.986 25 V HN 0.958 nan 8.190 nan 0.000 0.467 26 N N 3.296 121.979 118.700 -0.029 0.000 2.708 26 N HA -0.114 4.618 4.740 -0.014 0.000 0.255 26 N C -2.361 173.145 175.510 -0.007 0.000 1.046 26 N CA 0.203 53.242 53.050 -0.018 0.000 0.715 26 N CB -0.440 38.028 38.487 -0.031 0.000 0.895 26 N HN 0.493 nan 8.380 nan 0.000 0.545 27 P HA 0.247 nan 4.420 nan 0.000 0.268 27 P C -0.382 176.926 177.300 0.014 0.000 1.205 27 P CA 0.151 63.254 63.100 0.004 0.000 0.771 27 P CB 1.528 33.226 31.700 -0.003 0.000 0.858 28 S N 1.700 117.413 115.700 0.022 0.000 2.565 28 S HA 0.356 4.818 4.470 -0.014 0.000 0.274 28 S C 0.009 174.632 174.600 0.038 0.000 1.144 28 S CA -0.747 57.471 58.200 0.029 0.000 0.849 28 S CB 1.128 64.347 63.200 0.033 0.000 1.103 28 S HN 0.387 nan 8.310 nan 0.000 0.455 29 R N 0.972 121.496 120.500 0.039 0.000 2.472 29 R HA 0.248 4.579 4.340 -0.014 0.000 0.279 29 R C 0.494 176.825 176.300 0.052 0.000 0.953 29 R CA -0.507 55.622 56.100 0.049 0.000 1.088 29 R CB 0.360 30.686 30.300 0.043 0.000 1.197 29 R HN 0.360 nan 8.270 nan 0.000 0.536 30 R N 2.642 123.170 120.500 0.047 0.000 2.404 30 R HA 0.070 4.402 4.340 -0.014 0.000 0.315 30 R C -0.560 175.774 176.300 0.057 0.000 1.032 30 R CA 0.287 56.416 56.100 0.047 0.000 0.992 30 R CB 0.337 30.663 30.300 0.042 0.000 0.959 30 R HN 0.094 nan 8.270 nan 0.000 0.428 31 R N 2.066 122.601 120.500 0.059 0.000 2.500 31 R HA 0.540 4.871 4.340 -0.014 0.000 0.275 31 R C 0.148 176.483 176.300 0.059 0.000 1.051 31 R CA 0.148 56.289 56.100 0.069 0.000 1.088 31 R CB 1.247 31.592 30.300 0.075 0.000 1.063 31 R HN 0.923 nan 8.270 nan 0.000 0.511 32 G N -0.441 108.399 108.800 0.066 0.000 2.381 32 G HA2 0.346 4.298 3.960 -0.014 0.000 0.672 32 G HA3 0.346 4.298 3.960 -0.014 0.000 0.672 32 G C -0.293 174.637 174.900 0.050 0.000 1.324 32 G CA -0.383 44.750 45.100 0.054 0.000 0.975 32 G HN 1.013 nan 8.290 nan 0.000 0.593 33 G N -1.809 107.014 108.800 0.037 0.000 2.757 33 G HA2 0.444 4.396 3.960 -0.014 0.000 0.638 33 G HA3 0.444 4.396 3.960 -0.014 0.000 0.638 33 G C -0.246 174.669 174.900 0.025 0.000 1.344 33 G CA 0.504 45.620 45.100 0.026 0.000 0.855 33 G HN 1.976 nan 8.290 nan 0.000 0.537 34 T N 0.782 115.343 114.554 0.012 0.000 2.786 34 T HA 0.514 4.856 4.350 -0.014 0.000 0.283 34 T C -0.011 174.698 174.700 0.016 0.000 0.992 34 T CA -0.340 61.758 62.100 -0.002 0.000 0.954 34 T CB 1.539 70.390 68.868 -0.028 0.000 0.934 34 T HN 0.945 nan 8.240 nan 0.000 0.440 35 L N 4.717 125.941 121.223 0.002 0.000 2.315 35 L HA 0.412 4.743 4.340 -0.014 0.000 0.283 35 L C 0.134 177.027 176.870 0.040 0.000 1.089 35 L CA -0.008 54.846 54.840 0.023 0.000 0.833 35 L CB 0.082 42.124 42.059 -0.028 0.000 1.170 35 L HN 0.496 nan 8.230 nan 0.000 0.442 36 R N 6.324 126.887 120.500 0.106 0.000 2.204 36 R HA 0.494 4.825 4.340 -0.014 0.000 0.341 36 R C -0.966 175.454 176.300 0.202 0.000 1.035 36 R CA -0.385 55.817 56.100 0.170 0.000 0.887 36 R CB 0.498 30.924 30.300 0.210 0.000 1.114 36 R HN 0.619 nan 8.270 nan 0.000 0.473 37 L N 2.258 123.556 121.223 0.125 0.000 2.352 37 L HA 0.694 5.025 4.340 -0.014 0.000 0.269 37 L C -0.285 176.537 176.870 -0.079 0.000 1.034 37 L CA -1.137 53.725 54.840 0.037 0.000 0.806 37 L CB 1.795 43.853 42.059 -0.002 0.000 1.244 37 L HN 0.243 nan 8.230 nan 0.000 0.447 38 V N 0.518 120.293 119.914 -0.232 0.000 2.925 38 V HA 0.735 4.846 4.120 -0.014 0.000 0.311 38 V C -1.001 174.859 176.094 -0.390 0.000 1.104 38 V CA -0.093 61.918 62.300 -0.481 0.000 0.954 38 V CB 2.466 33.707 31.823 -0.969 0.000 1.022 38 V HN 0.821 nan 8.190 nan 0.000 0.427 39 S N 2.014 117.475 115.700 -0.397 0.000 2.541 39 S HA 0.444 4.905 4.470 -0.014 0.000 0.271 39 S C 0.758 175.161 174.600 -0.329 0.000 1.133 39 S CA 0.140 58.067 58.200 -0.455 0.000 0.876 39 S CB 2.020 64.844 63.200 -0.627 0.000 1.105 39 S HN 1.522 nan 8.310 nan 0.000 0.470 40 S N 2.284 117.798 115.700 -0.309 0.000 2.496 40 S HA 0.446 4.907 4.470 -0.014 0.000 0.224 40 S C 0.634 175.164 174.600 -0.116 0.000 0.996 40 S CA 0.359 58.445 58.200 -0.191 0.000 0.927 40 S CB -0.174 62.924 63.200 -0.170 0.000 0.774 40 S HN 1.168 nan 8.310 nan 0.000 0.524 41 A N 0.794 123.544 122.820 -0.117 0.000 2.401 41 A HA 0.643 4.955 4.320 -0.014 0.000 0.310 41 A C -0.762 176.968 177.584 0.243 0.000 1.075 41 A CA -0.670 51.416 52.037 0.080 0.000 0.746 41 A CB 1.058 20.150 19.000 0.154 0.000 1.277 41 A HN 0.225 nan 8.150 nan 0.000 0.425 42 D N 0.576 121.166 120.400 0.316 0.000 2.360 42 D HA 0.326 4.958 4.640 -0.014 0.000 0.242 42 D C 0.801 177.451 176.300 0.585 0.000 1.184 42 D CA 0.211 54.450 54.000 0.399 0.000 0.930 42 D CB 1.300 42.274 40.800 0.289 0.000 1.161 42 D HN 0.687 nan 8.370 nan 0.000 0.447 43 V N 0.733 120.911 119.914 0.440 0.000 3.032 43 V HA 0.053 4.164 4.120 -0.014 0.000 0.307 43 V C 1.162 177.246 176.094 -0.016 0.000 1.097 43 V CA 0.001 62.356 62.300 0.092 0.000 1.191 43 V CB 0.652 32.410 31.823 -0.108 0.000 0.964 43 V HN 0.613 nan 8.190 nan 0.000 0.494 44 D N 1.518 121.692 120.400 -0.377 0.000 2.149 44 D HA 0.058 4.690 4.640 -0.014 0.000 0.201 44 D C 0.907 177.080 176.300 -0.212 0.000 0.972 44 D CA 1.318 55.039 54.000 -0.464 0.000 0.835 44 D CB 0.098 40.266 40.800 -1.052 0.000 0.966 44 D HN 0.784 nan 8.370 nan 0.000 0.476 45 S N -1.693 113.891 115.700 -0.193 0.000 2.552 45 S HA 0.410 4.871 4.470 -0.014 0.000 0.272 45 S C -0.503 174.026 174.600 -0.118 0.000 1.150 45 S CA -0.793 57.345 58.200 -0.102 0.000 0.849 45 S CB 0.746 63.913 63.200 -0.055 0.000 1.113 45 S HN 0.101 nan 8.310 nan 0.000 0.458 46 L N 1.664 122.825 121.223 -0.105 0.000 2.640 46 L HA 0.337 4.668 4.340 -0.014 0.000 0.230 46 L C 0.344 177.176 176.870 -0.064 0.000 1.123 46 L CA 0.019 54.790 54.840 -0.116 0.000 0.900 46 L CB 0.118 42.078 42.059 -0.164 0.000 1.146 46 L HN 0.585 nan 8.230 nan 0.000 0.484 47 D N 1.847 122.246 120.400 -0.003 0.000 2.317 47 D HA 0.079 4.710 4.640 -0.014 0.000 0.252 47 D C -1.476 174.866 176.300 0.070 0.000 1.174 47 D CA -1.946 52.121 54.000 0.112 0.000 0.866 47 D CB 1.759 42.660 40.800 0.168 0.000 1.127 47 D HN -0.067 nan 8.370 nan 0.000 0.467 48 P HA -0.097 nan 4.420 nan 0.000 0.222 48 P C 0.762 178.026 177.300 -0.061 0.000 1.147 48 P CA 0.647 63.742 63.100 -0.008 0.000 0.790 48 P CB 0.235 31.944 31.700 0.014 0.000 0.780 49 A N -0.112 122.703 122.820 -0.008 0.000 2.169 49 A HA 0.036 4.348 4.320 -0.014 0.000 0.212 49 A C 2.022 179.598 177.584 -0.014 0.000 1.153 49 A CA 0.418 52.432 52.037 -0.038 0.000 0.756 49 A CB -0.531 18.459 19.000 -0.017 0.000 0.813 49 A HN 0.110 nan 8.150 nan 0.000 0.471 50 R N -0.868 119.640 120.500 0.014 0.000 2.509 50 R HA 0.125 4.456 4.340 -0.014 0.000 0.300 50 R C 0.010 176.332 176.300 0.037 0.000 0.985 50 R CA 0.241 56.363 56.100 0.037 0.000 1.092 50 R CB 0.452 30.779 30.300 0.044 0.000 1.237 50 R HN 0.278 nan 8.270 nan 0.000 0.546 51 T N -1.372 113.210 114.554 0.047 0.000 2.829 51 T HA 0.230 4.571 4.350 -0.014 0.000 0.282 51 T C -0.142 174.766 174.700 0.346 0.000 0.990 51 T CA -0.284 61.876 62.100 0.100 0.000 1.028 51 T CB 1.173 70.091 68.868 0.083 0.000 0.951 51 T HN 0.231 nan 8.240 nan 0.000 0.460 52 Y N 2.624 123.028 120.300 0.173 0.000 2.423 52 Y HA 0.348 4.889 4.550 -0.015 0.000 0.257 52 Y C -0.117 175.686 175.900 -0.162 0.000 1.087 52 Y CA -0.695 57.491 58.100 0.143 0.000 1.258 52 Y CB 0.642 39.170 38.460 0.115 0.000 1.237 52 Y HN 0.578 nan 8.280 nan 0.000 0.517 53 Y N 1.127 121.371 120.300 -0.094 0.000 2.632 53 Y HA -0.044 4.497 4.550 -0.014 0.000 0.329 53 Y C 1.497 177.135 175.900 -0.436 0.000 1.174 53 Y CA -0.424 57.503 58.100 -0.288 0.000 1.469 53 Y CB 0.329 38.426 38.460 -0.605 0.000 1.242 53 Y HN -0.134 nan 8.280 nan 0.000 0.540 54 V N 4.444 124.272 119.914 -0.142 0.000 2.324 54 V HA -0.347 3.765 4.120 -0.014 0.000 0.250 54 V C 2.162 178.353 176.094 0.163 0.000 1.060 54 V CA 2.219 64.474 62.300 -0.074 0.000 1.042 54 V CB -0.665 31.219 31.823 0.102 0.000 0.650 54 V HN 0.977 nan 8.190 nan 0.000 0.450 55 W N -0.276 121.079 121.300 0.093 0.000 2.467 55 W HA 0.017 4.667 4.660 -0.017 0.000 0.275 55 W C 1.686 178.281 176.519 0.127 0.000 1.239 55 W CA 1.008 58.392 57.345 0.066 0.000 1.266 55 W CB -1.124 28.336 29.460 -0.000 0.000 1.112 55 W HN 0.197 nan 8.180 nan 0.000 0.576 56 V N 0.420 120.131 119.914 -0.338 0.000 2.591 56 V HA -0.214 3.897 4.120 -0.014 0.000 0.249 56 V C 2.209 178.398 176.094 0.159 0.000 1.053 56 V CA 1.668 63.829 62.300 -0.231 0.000 1.068 56 V CB -0.940 30.632 31.823 -0.418 0.000 0.689 56 V HN 0.077 nan 8.190 nan 0.000 0.462 57 W N -0.388 120.888 121.300 -0.040 0.000 2.363 57 W HA -0.096 4.554 4.660 -0.017 0.000 0.296 57 W C 2.157 178.680 176.519 0.006 0.000 1.212 57 W CA 0.646 58.027 57.345 0.061 0.000 1.260 57 W CB -1.184 28.412 29.460 0.226 0.000 1.131 57 W HN 0.195 nan 8.180 nan 0.000 0.530 58 L N -0.181 121.126 121.223 0.140 0.000 2.046 58 L HA -0.162 4.169 4.340 -0.014 0.000 0.208 58 L C 2.351 179.173 176.870 -0.079 0.000 1.077 58 L CA 1.551 56.266 54.840 -0.208 0.000 0.747 58 L CB -1.373 40.545 42.059 -0.235 0.000 0.896 58 L HN -0.043 nan 8.230 nan 0.000 0.432 59 L N -0.959 120.281 121.223 0.028 0.000 2.083 59 L HA -0.191 4.140 4.340 -0.014 0.000 0.209 59 L C 2.398 179.266 176.870 -0.003 0.000 1.083 59 L CA 1.599 56.453 54.840 0.023 0.000 0.752 59 L CB -0.744 41.360 42.059 0.075 0.000 0.899 59 L HN 0.343 nan 8.230 nan 0.000 0.433 60 Q N -0.189 119.616 119.800 0.009 0.000 2.297 60 Q HA -0.195 4.136 4.340 -0.014 0.000 0.208 60 Q C 2.261 178.256 176.000 -0.008 0.000 0.981 60 Q CA 1.182 56.979 55.803 -0.009 0.000 0.876 60 Q CB -0.225 28.487 28.738 -0.043 0.000 0.921 60 Q HN 0.567 nan 8.270 nan 0.000 0.446 61 R N -0.307 120.185 120.500 -0.013 0.000 2.237 61 R HA -0.073 4.258 4.340 -0.014 0.000 0.219 61 R C 1.901 178.198 176.300 -0.005 0.000 1.080 61 R CA 0.552 56.649 56.100 -0.006 0.000 0.995 61 R CB -0.026 30.258 30.300 -0.027 0.000 0.875 61 R HN 0.120 nan 8.270 nan 0.000 0.462 62 L N -0.522 120.693 121.223 -0.015 0.000 2.270 62 L HA -0.014 4.317 4.340 -0.014 0.000 0.210 62 L C 1.834 178.738 176.870 0.058 0.000 1.104 62 L CA 1.179 56.031 54.840 0.020 0.000 0.804 62 L CB -0.003 42.012 42.059 -0.073 0.000 0.937 62 L HN 0.099 nan 8.230 nan 0.000 0.450 63 L N -1.807 119.434 121.223 0.030 0.000 2.357 63 L HA 0.165 4.496 4.340 -0.014 0.000 0.211 63 L C 0.111 177.008 176.870 0.045 0.000 1.075 63 L CA 0.339 55.204 54.840 0.042 0.000 0.830 63 L CB 0.140 42.215 42.059 0.026 0.000 0.996 63 L HN 0.217 nan 8.230 nan 0.000 0.467 64 N N -0.142 118.580 118.700 0.036 0.000 2.287 64 N HA 0.348 5.080 4.740 -0.014 0.000 0.289 64 N C -1.019 174.518 175.510 0.045 0.000 1.066 64 N CA -0.522 52.563 53.050 0.059 0.000 0.841 64 N CB 2.321 40.843 38.487 0.058 0.000 1.599 64 N HN -0.027 nan 8.380 nan 0.000 0.476 65 R N 0.008 120.549 120.500 0.068 0.000 2.546 65 R HA 0.633 4.964 4.340 -0.014 0.000 0.266 65 R C 0.304 176.614 176.300 0.017 0.000 1.086 65 R CA -0.394 55.741 56.100 0.058 0.000 1.160 65 R CB 0.830 31.188 30.300 0.097 0.000 1.138 65 R HN 0.628 nan 8.270 nan 0.000 0.567 66 T N -2.594 111.952 114.554 -0.014 0.000 2.865 66 T HA 0.288 4.630 4.350 -0.014 0.000 0.294 66 T C 1.157 175.807 174.700 -0.082 0.000 1.119 66 T CA -0.980 61.078 62.100 -0.070 0.000 1.007 66 T CB 0.885 69.677 68.868 -0.126 0.000 1.225 66 T HN 0.372 nan 8.240 nan 0.000 0.515 67 L N -0.555 120.580 121.223 -0.146 0.000 2.013 67 L HA 0.016 4.347 4.340 -0.014 0.000 0.212 67 L C 0.843 177.648 176.870 -0.110 0.000 1.073 67 L CA 1.385 56.127 54.840 -0.163 0.000 0.753 67 L CB -0.311 41.499 42.059 -0.415 0.000 0.890 67 L HN 0.475 nan 8.230 nan 0.000 0.432 68 M N -1.343 118.154 119.600 -0.172 0.000 2.530 68 M HA 0.609 5.080 4.480 -0.014 0.000 0.307 68 M C -0.705 175.474 176.300 -0.202 0.000 1.161 68 M CA -0.418 54.794 55.300 -0.147 0.000 0.903 68 M CB 1.854 34.348 32.600 -0.176 0.000 1.711 68 M HN -0.078 nan 8.290 nan 0.000 0.451 69 A N 1.490 124.199 122.820 -0.184 0.000 2.572 69 A HA 0.778 5.089 4.320 -0.014 0.000 0.295 69 A C -1.817 175.649 177.584 -0.196 0.000 1.072 69 A CA -0.665 51.271 52.037 -0.168 0.000 0.691 69 A CB 1.046 20.042 19.000 -0.007 0.000 1.291 69 A HN 0.696 nan 8.150 nan 0.000 0.404 70 Y N 1.892 122.258 120.300 0.111 0.000 2.526 70 Y HA 0.292 4.833 4.550 -0.016 0.000 0.330 70 Y C -1.582 174.481 175.900 0.272 0.000 1.156 70 Y CA -0.728 57.492 58.100 0.201 0.000 1.419 70 Y CB 0.115 38.720 38.460 0.243 0.000 1.250 70 Y HN 0.462 nan 8.280 nan 0.000 0.540 71 P HA 0.036 nan 4.420 nan 0.000 0.274 71 P C -0.543 176.995 177.300 0.397 0.000 1.246 71 P CA -0.503 62.772 63.100 0.292 0.000 0.795 71 P CB 0.635 32.444 31.700 0.182 0.000 1.006 72 T N 1.853 116.572 114.554 0.274 0.000 3.185 72 T HA 0.212 4.553 4.350 -0.014 0.000 0.287 72 T C -0.278 174.428 174.700 0.010 0.000 1.051 72 T CA 0.530 62.793 62.100 0.272 0.000 1.051 72 T CB -0.977 68.022 68.868 0.217 0.000 1.034 72 T HN 0.363 nan 8.240 nan 0.000 0.685 73 D N 3.194 123.543 120.400 -0.086 0.000 2.861 73 D HA 0.207 4.838 4.640 -0.014 0.000 0.216 73 D C -2.236 173.856 176.300 -0.346 0.000 1.323 73 D CA -1.834 52.013 54.000 -0.254 0.000 0.917 73 D CB 2.648 43.408 40.800 -0.067 0.000 1.582 73 D HN 0.047 nan 8.370 nan 0.000 0.576 74 P HA 0.159 nan 4.420 nan 0.000 0.241 74 P C 0.723 177.979 177.300 -0.073 0.000 1.191 74 P CA 0.167 63.168 63.100 -0.165 0.000 0.771 74 P CB 0.639 32.240 31.700 -0.164 0.000 0.929 75 G N 1.123 109.867 108.800 -0.093 0.000 2.537 75 G HA2 0.301 4.252 3.960 -0.014 0.000 0.297 75 G HA3 0.301 4.252 3.960 -0.014 0.000 0.297 75 G C -1.709 173.175 174.900 -0.028 0.000 1.310 75 G CA -1.342 43.729 45.100 -0.048 0.000 1.027 75 G HN -0.143 nan 8.290 nan 0.000 0.505 76 P HA -0.093 nan 4.420 nan 0.000 0.218 76 P C 1.916 179.235 177.300 0.033 0.000 1.146 76 P CA 1.832 64.934 63.100 0.003 0.000 0.813 76 P CB 0.123 31.822 31.700 -0.001 0.000 0.778 77 A N -0.142 122.696 122.820 0.030 0.000 2.070 77 A HA -0.057 4.254 4.320 -0.014 0.000 0.220 77 A C 2.395 180.044 177.584 0.108 0.000 1.159 77 A CA 1.699 53.771 52.037 0.058 0.000 0.656 77 A CB -1.773 17.250 19.000 0.038 0.000 0.800 77 A HN 0.293 nan 8.150 nan 0.000 0.453 78 G N -0.306 108.544 108.800 0.084 0.000 2.498 78 G HA2 -0.097 3.855 3.960 -0.014 0.000 0.219 78 G HA3 -0.097 3.855 3.960 -0.014 0.000 0.219 78 G C 1.284 176.397 174.900 0.355 0.000 1.119 78 G CA 0.897 46.088 45.100 0.152 0.000 0.766 78 G HN 0.498 nan 8.290 nan 0.000 0.552 79 L N 0.365 121.736 121.223 0.246 0.000 2.558 79 L HA 0.171 4.503 4.340 -0.014 0.000 0.225 79 L C 0.120 177.245 176.870 0.426 0.000 1.128 79 L CA -0.177 54.837 54.840 0.290 0.000 0.868 79 L CB 0.295 42.441 42.059 0.144 0.000 1.006 79 L HN -0.068 nan 8.230 nan 0.000 0.454 80 V N 0.922 121.019 119.914 0.306 0.000 2.347 80 V HA 0.289 4.400 4.120 -0.014 0.000 0.280 80 V C -2.164 173.951 176.094 0.035 0.000 1.021 80 V CA -1.805 60.595 62.300 0.166 0.000 0.847 80 V CB 0.975 32.865 31.823 0.112 0.000 0.990 80 V HN -0.042 nan 8.190 nan 0.000 0.444 81 P HA 0.265 nan 4.420 nan 0.000 0.265 81 P C -0.471 176.734 177.300 -0.159 0.000 1.193 81 P CA 0.352 63.198 63.100 -0.423 0.000 0.765 81 P CB 0.655 31.975 31.700 -0.633 0.000 0.823 82 A N 4.926 127.682 122.820 -0.106 0.000 2.354 82 A HA 0.717 5.029 4.320 -0.014 0.000 0.321 82 A C -2.631 174.951 177.584 -0.003 0.000 1.125 82 A CA -2.201 49.828 52.037 -0.013 0.000 0.799 82 A CB 0.379 19.398 19.000 0.031 0.000 1.293 82 A HN 0.310 nan 8.150 nan 0.000 0.452 83 P HA 0.113 nan 4.420 nan 0.000 0.267 83 P C -0.505 176.821 177.300 0.043 0.000 1.209 83 P CA 0.535 63.669 63.100 0.056 0.000 0.763 83 P CB 0.950 32.690 31.700 0.066 0.000 0.816 84 D N 2.478 122.899 120.400 0.035 0.000 3.013 84 D HA 0.075 4.706 4.640 -0.014 0.000 0.235 84 D C 1.595 177.920 176.300 0.043 0.000 1.540 84 D CA 0.341 54.365 54.000 0.041 0.000 1.303 84 D CB -0.422 40.393 40.800 0.024 0.000 0.980 84 D HN 0.108 nan 8.370 nan 0.000 0.250 85 L N 0.934 122.176 121.223 0.031 0.000 2.217 85 L HA 0.250 4.581 4.340 -0.014 0.000 0.211 85 L C 1.184 178.086 176.870 0.053 0.000 1.107 85 L CA 0.395 55.255 54.840 0.033 0.000 0.783 85 L CB -0.371 41.700 42.059 0.019 0.000 0.919 85 L HN 0.068 nan 8.230 nan 0.000 0.442 86 A N -0.016 122.849 122.820 0.075 0.000 2.351 86 A HA 0.087 4.398 4.320 -0.014 0.000 0.257 86 A C 1.088 178.734 177.584 0.103 0.000 1.087 86 A CA -0.281 51.838 52.037 0.137 0.000 0.798 86 A CB 0.380 19.538 19.000 0.264 0.000 1.033 86 A HN 0.276 nan 8.150 nan 0.000 0.488 87 E N 0.555 120.812 120.200 0.097 0.000 2.208 87 E HA 0.116 4.457 4.350 -0.014 0.000 0.193 87 E C 0.933 177.569 176.600 0.060 0.000 0.988 87 E CA 0.845 57.279 56.400 0.058 0.000 0.828 87 E CB 0.151 29.874 29.700 0.039 0.000 0.763 87 E HN 0.782 nan 8.360 nan 0.000 0.478 88 G N 0.713 109.566 108.800 0.087 0.000 2.708 88 G HA2 0.400 4.352 3.960 -0.014 0.000 0.289 88 G HA3 0.400 4.352 3.960 -0.014 0.000 0.289 88 G C -2.985 171.984 174.900 0.115 0.000 1.416 88 G CA -1.247 43.896 45.100 0.072 0.000 0.829 88 G HN -0.225 nan 8.290 nan 0.000 0.480 89 P HA 0.275 nan 4.420 nan 0.000 0.270 89 P C 0.741 178.067 177.300 0.045 0.000 1.223 89 P CA 0.062 63.237 63.100 0.125 0.000 0.785 89 P CB 0.464 32.212 31.700 0.081 0.000 0.923 90 G N 1.359 110.197 108.800 0.063 0.000 2.225 90 G HA2 -0.029 3.922 3.960 -0.014 0.000 0.245 90 G HA3 -0.029 3.922 3.960 -0.014 0.000 0.245 90 G C -0.354 174.364 174.900 -0.303 0.000 1.249 90 G CA -0.263 44.593 45.100 -0.407 0.000 0.919 90 G HN 0.454 nan 8.290 nan 0.000 0.486 91 E N 1.043 121.014 120.200 -0.381 0.000 2.152 91 E HA 0.264 4.605 4.350 -0.014 0.000 0.285 91 E C -0.219 176.096 176.600 -0.475 0.000 1.043 91 E CA -0.452 55.755 56.400 -0.323 0.000 0.839 91 E CB 1.571 31.144 29.700 -0.211 0.000 1.069 91 E HN 0.213 nan 8.360 nan 0.000 0.399 92 V N 3.243 122.806 119.914 -0.586 0.000 2.439 92 V HA 0.330 4.442 4.120 -0.014 0.000 0.282 92 V C 0.254 176.091 176.094 -0.429 0.000 1.039 92 V CA -0.368 61.458 62.300 -0.789 0.000 0.913 92 V CB 1.091 32.349 31.823 -0.941 0.000 0.983 92 V HN 0.777 nan 8.190 nan 0.000 0.460 93 S N 1.709 117.194 115.700 -0.358 0.000 2.697 93 S HA 0.613 5.075 4.470 -0.014 0.000 0.289 93 S C -0.656 173.856 174.600 -0.148 0.000 1.149 93 S CA -0.675 57.404 58.200 -0.202 0.000 0.850 93 S CB 1.957 65.070 63.200 -0.147 0.000 1.151 93 S HN 0.701 nan 8.310 nan 0.000 0.491 94 D N 0.274 120.619 120.400 -0.091 0.000 2.723 94 D HA -0.103 4.528 4.640 -0.014 0.000 0.236 94 D C 0.914 177.192 176.300 -0.037 0.000 1.138 94 D CA 1.716 55.684 54.000 -0.052 0.000 0.676 94 D CB -1.770 39.011 40.800 -0.032 0.000 1.069 94 D HN 1.841 nan 8.370 nan 0.000 0.430 95 G N -0.951 107.820 108.800 -0.048 0.000 2.273 95 G HA2 0.046 3.997 3.960 -0.014 0.000 0.280 95 G HA3 0.046 3.997 3.960 -0.014 0.000 0.280 95 G C 1.176 176.095 174.900 0.032 0.000 1.047 95 G CA 1.073 46.161 45.100 -0.020 0.000 0.869 95 G HN 1.627 nan 8.290 nan 0.000 0.502 96 G N -1.626 107.170 108.800 -0.007 0.000 2.157 96 G HA2 -0.272 3.679 3.960 -0.014 0.000 0.239 96 G HA3 -0.272 3.679 3.960 -0.014 0.000 0.239 96 G C 0.968 176.020 174.900 0.253 0.000 0.982 96 G CA 1.061 46.220 45.100 0.099 0.000 0.650 96 G HN 0.955 nan 8.290 nan 0.000 0.527 97 R N -0.366 120.209 120.500 0.125 0.000 2.237 97 R HA 0.206 4.538 4.340 -0.014 0.000 0.195 97 R C 0.250 176.640 176.300 0.149 0.000 0.956 97 R CA 1.142 57.333 56.100 0.153 0.000 1.029 97 R CB 0.421 30.771 30.300 0.084 0.000 0.972 97 R HN 0.330 nan 8.270 nan 0.000 0.493 98 T N 0.080 114.662 114.554 0.047 0.000 2.812 98 T HA 0.317 4.658 4.350 -0.014 0.000 0.282 98 T C -1.468 173.189 174.700 -0.072 0.000 0.990 98 T CA -0.447 61.678 62.100 0.042 0.000 0.960 98 T CB 1.244 70.101 68.868 -0.017 0.000 0.948 98 T HN 0.082 nan 8.240 nan 0.000 0.438 99 W N 2.103 123.356 121.300 -0.079 0.000 2.475 99 W HA 0.508 5.159 4.660 -0.015 0.000 0.320 99 W C -0.106 176.432 176.519 0.031 0.000 1.022 99 W CA -0.529 56.776 57.345 -0.067 0.000 1.240 99 W CB 1.509 30.913 29.460 -0.093 0.000 1.328 99 W HN 0.428 nan 8.180 nan 0.000 0.439 100 T N 3.310 117.859 114.554 -0.008 0.000 2.823 100 T HA 0.552 4.894 4.350 -0.014 0.000 0.279 100 T C -1.264 173.325 174.700 -0.186 0.000 0.998 100 T CA -0.489 61.613 62.100 0.003 0.000 0.994 100 T CB 0.897 69.744 68.868 -0.036 0.000 0.960 100 T HN 0.078 nan 8.240 nan 0.000 0.448 101 Y N 1.122 121.544 120.300 0.203 0.000 2.499 101 Y HA 0.588 5.129 4.550 -0.015 0.000 0.347 101 Y C 0.523 176.490 175.900 0.112 0.000 0.987 101 Y CA -1.292 56.914 58.100 0.177 0.000 1.044 101 Y CB 1.764 40.368 38.460 0.239 0.000 1.245 101 Y HN 0.336 nan 8.280 nan 0.000 0.461 102 R N 2.814 123.460 120.500 0.243 0.000 2.360 102 R HA 0.492 4.824 4.340 -0.014 0.000 0.318 102 R C -1.333 175.062 176.300 0.159 0.000 0.950 102 R CA -0.732 55.464 56.100 0.160 0.000 0.837 102 R CB 1.575 31.931 30.300 0.093 0.000 1.165 102 R HN 0.584 nan 8.270 nan 0.000 0.458 103 L N 3.323 124.646 121.223 0.167 0.000 2.397 103 L HA 0.295 4.626 4.340 -0.014 0.000 0.271 103 L C 0.694 177.617 176.870 0.088 0.000 1.148 103 L CA -0.338 54.593 54.840 0.151 0.000 0.825 103 L CB 0.634 42.812 42.059 0.198 0.000 1.117 103 L HN 0.391 nan 8.230 nan 0.000 0.456 104 R N 3.291 123.816 120.500 0.043 0.000 2.638 104 R HA 0.078 4.409 4.340 -0.014 0.000 0.268 104 R C -0.436 175.818 176.300 -0.077 0.000 1.006 104 R CA -0.149 55.933 56.100 -0.029 0.000 1.088 104 R CB 0.227 30.513 30.300 -0.023 0.000 0.950 104 R HN 0.484 nan 8.270 nan 0.000 0.419 105 R N 0.974 121.341 120.500 -0.220 0.000 2.500 105 R HA 0.255 4.586 4.340 -0.014 0.000 0.277 105 R C 0.818 177.048 176.300 -0.117 0.000 1.026 105 R CA 0.001 55.886 56.100 -0.358 0.000 1.058 105 R CB 1.006 31.010 30.300 -0.493 0.000 1.078 105 R HN 0.944 nan 8.270 nan 0.000 0.509 106 G N 0.956 109.746 108.800 -0.016 0.000 2.153 106 G HA2 -0.260 3.691 3.960 -0.014 0.000 0.252 106 G HA3 -0.260 3.691 3.960 -0.014 0.000 0.252 106 G C 0.088 174.978 174.900 -0.018 0.000 0.994 106 G CA 0.112 45.209 45.100 -0.004 0.000 0.698 106 G HN 0.400 nan 8.290 nan 0.000 0.521 107 L N -0.689 120.522 121.223 -0.021 0.000 2.418 107 L HA 0.695 5.027 4.340 -0.014 0.000 0.265 107 L C 1.064 177.877 176.870 -0.096 0.000 1.143 107 L CA -0.516 54.287 54.840 -0.061 0.000 0.809 107 L CB 0.934 42.951 42.059 -0.071 0.000 1.124 107 L HN 0.166 nan 8.230 nan 0.000 0.456 108 R N 0.636 121.073 120.500 -0.105 0.000 2.771 108 R HA 0.468 4.799 4.340 -0.014 0.000 0.274 108 R C -1.315 174.899 176.300 -0.144 0.000 0.987 108 R CA -0.849 55.182 56.100 -0.116 0.000 0.908 108 R CB 2.013 32.296 30.300 -0.028 0.000 1.213 108 R HN 0.304 nan 8.270 nan 0.000 0.468 109 Y N 0.763 121.086 120.300 0.038 0.000 2.289 109 Y HA -0.062 4.479 4.550 -0.014 0.000 0.332 109 Y C 1.870 177.815 175.900 0.075 0.000 1.324 109 Y CA 0.040 58.179 58.100 0.066 0.000 1.478 109 Y CB 0.552 39.041 38.460 0.048 0.000 1.378 109 Y HN 0.728 nan 8.280 nan 0.000 0.558 110 D N -0.130 120.459 120.400 0.316 0.000 2.263 110 D HA -0.191 4.440 4.640 -0.014 0.000 0.208 110 D C 0.669 177.119 176.300 0.251 0.000 0.971 110 D CA 1.424 55.591 54.000 0.279 0.000 0.867 110 D CB -0.394 40.525 40.800 0.199 0.000 0.929 110 D HN 0.759 nan 8.370 nan 0.000 0.492 111 D N -0.832 119.645 120.400 0.130 0.000 2.328 111 D HA 0.138 4.769 4.640 -0.014 0.000 0.221 111 D C 1.666 177.878 176.300 -0.146 0.000 1.072 111 D CA 0.590 54.614 54.000 0.041 0.000 0.850 111 D CB -0.093 40.729 40.800 0.037 0.000 0.922 111 D HN 0.351 nan 8.370 nan 0.000 0.516 112 G N 0.316 108.835 108.800 -0.468 0.000 2.176 112 G HA2 -0.281 3.670 3.960 -0.014 0.000 0.253 112 G HA3 -0.281 3.670 3.960 -0.014 0.000 0.253 112 G C 0.526 175.274 174.900 -0.252 0.000 0.979 112 G CA 0.581 45.190 45.100 -0.818 0.000 0.641 112 G HN 0.792 nan 8.290 nan 0.000 0.530 113 T N -0.312 114.215 114.554 -0.046 0.000 2.882 113 T HA 0.638 4.980 4.350 -0.014 0.000 0.287 113 T C -2.439 172.341 174.700 0.134 0.000 1.014 113 T CA -1.414 60.725 62.100 0.065 0.000 1.049 113 T CB 2.325 71.253 68.868 0.100 0.000 1.001 113 T HN 0.112 nan 8.240 nan 0.000 0.525 114 P HA 0.411 nan 4.420 nan 0.000 0.279 114 P C -0.536 176.800 177.300 0.061 0.000 1.239 114 P CA -0.634 62.495 63.100 0.048 0.000 0.789 114 P CB 0.356 32.080 31.700 0.041 0.000 0.933 115 I N 2.321 122.818 120.570 -0.122 0.000 2.352 115 I HA 0.280 4.441 4.170 -0.014 0.000 0.290 115 I C 1.028 177.132 176.117 -0.021 0.000 1.036 115 I CA 0.114 61.317 61.300 -0.162 0.000 1.336 115 I CB 0.728 38.510 38.000 -0.364 0.000 1.407 115 I HN 0.385 nan 8.210 nan 0.000 0.497 116 T N 0.379 114.943 114.554 0.016 0.000 2.907 116 T HA 0.241 4.582 4.350 -0.014 0.000 0.290 116 T C 1.014 175.701 174.700 -0.021 0.000 1.066 116 T CA -0.231 61.834 62.100 -0.058 0.000 1.012 116 T CB 1.685 70.494 68.868 -0.098 0.000 1.184 116 T HN 0.572 nan 8.240 nan 0.000 0.522 117 S N 0.231 115.894 115.700 -0.062 0.000 2.400 117 S HA -0.169 4.293 4.470 -0.014 0.000 0.232 117 S C 1.290 175.878 174.600 -0.020 0.000 1.025 117 S CA 1.420 59.604 58.200 -0.026 0.000 0.993 117 S CB -0.881 62.292 63.200 -0.045 0.000 0.808 117 S HN 0.737 nan 8.310 nan 0.000 0.478 118 D N 2.151 122.533 120.400 -0.030 0.000 2.221 118 D HA -0.075 4.556 4.640 -0.014 0.000 0.204 118 D C 1.338 177.663 176.300 0.041 0.000 0.982 118 D CA 1.260 55.252 54.000 -0.013 0.000 0.857 118 D CB -0.414 40.368 40.800 -0.030 0.000 0.934 118 D HN 0.500 nan 8.370 nan 0.000 0.475 119 D N -0.407 120.035 120.400 0.070 0.000 2.194 119 D HA -0.054 4.577 4.640 -0.014 0.000 0.204 119 D C 2.263 178.645 176.300 0.137 0.000 0.964 119 D CA 0.235 54.315 54.000 0.134 0.000 0.846 119 D CB -0.072 40.859 40.800 0.219 0.000 0.962 119 D HN 0.120 nan 8.370 nan 0.000 0.490 120 V N 0.990 120.963 119.914 0.099 0.000 2.379 120 V HA -0.170 3.942 4.120 -0.014 0.000 0.245 120 V C 2.553 178.708 176.094 0.103 0.000 1.044 120 V CA 1.342 63.700 62.300 0.095 0.000 1.036 120 V CB -0.434 31.445 31.823 0.093 0.000 0.664 120 V HN 0.082 nan 8.190 nan 0.000 0.453 121 R N -0.395 120.140 120.500 0.059 0.000 2.081 121 R HA -0.242 4.090 4.340 -0.014 0.000 0.235 121 R C 2.434 178.759 176.300 0.041 0.000 1.131 121 R CA 2.110 58.225 56.100 0.024 0.000 0.960 121 R CB -0.436 29.832 30.300 -0.054 0.000 0.856 121 R HN 0.665 nan 8.270 nan 0.000 0.436 122 H N 0.080 119.136 119.070 -0.023 0.000 2.352 122 H HA -0.043 4.505 4.556 -0.014 0.000 0.299 122 H C 1.743 177.055 175.328 -0.027 0.000 1.097 122 H CA 2.157 58.182 56.048 -0.039 0.000 1.311 122 H CB -0.273 29.459 29.762 -0.051 0.000 1.377 122 H HN 0.377 nan 8.280 nan 0.000 0.504 123 A N -0.173 122.617 122.820 -0.050 0.000 1.883 123 A HA -0.161 4.151 4.320 -0.014 0.000 0.217 123 A C 2.734 180.276 177.584 -0.070 0.000 1.186 123 A CA 1.971 53.955 52.037 -0.089 0.000 0.624 123 A CB -1.036 17.957 19.000 -0.012 0.000 0.822 123 A HN 0.335 nan 8.150 nan 0.000 0.444 124 V N -0.212 119.710 119.914 0.014 0.000 2.343 124 V HA -0.310 3.802 4.120 -0.014 0.000 0.247 124 V C 2.636 178.830 176.094 0.167 0.000 1.051 124 V CA 2.236 64.596 62.300 0.100 0.000 1.036 124 V CB -0.903 31.052 31.823 0.220 0.000 0.654 124 V HN 0.640 nan 8.190 nan 0.000 0.451 125 Q N -0.434 119.386 119.800 0.035 0.000 2.124 125 Q HA -0.215 4.116 4.340 -0.014 0.000 0.202 125 Q C 2.489 178.548 176.000 0.098 0.000 0.977 125 Q CA 1.570 57.407 55.803 0.057 0.000 0.850 125 Q CB -0.218 28.480 28.738 -0.065 0.000 0.901 125 Q HN 0.575 nan 8.270 nan 0.000 0.429 126 R N -0.190 120.212 120.500 -0.163 0.000 2.105 126 R HA -0.135 4.197 4.340 -0.014 0.000 0.239 126 R C 2.254 178.563 176.300 0.015 0.000 1.135 126 R CA 1.279 57.265 56.100 -0.190 0.000 0.967 126 R CB -0.403 29.746 30.300 -0.251 0.000 0.861 126 R HN 0.116 nan 8.270 nan 0.000 0.442 127 V N 0.505 120.464 119.914 0.076 0.000 2.453 127 V HA -0.252 3.859 4.120 -0.014 0.000 0.252 127 V C 1.751 177.870 176.094 0.043 0.000 1.068 127 V CA 1.712 64.035 62.300 0.040 0.000 1.070 127 V CB -0.546 31.264 31.823 -0.021 0.000 0.664 127 V HN 0.191 nan 8.190 nan 0.000 0.461 128 F N 0.553 120.516 119.950 0.021 0.000 2.407 128 F HA 0.158 4.676 4.527 -0.014 0.000 0.299 128 F C 1.886 177.675 175.800 -0.018 0.000 1.097 128 F CA 0.631 58.653 58.000 0.037 0.000 1.422 128 F CB -0.468 38.615 39.000 0.139 0.000 1.067 128 F HN 0.085 nan 8.300 nan 0.000 0.539 129 A N 0.543 123.445 122.820 0.136 0.000 3.077 129 A HA 0.097 4.408 4.320 -0.014 0.000 0.255 129 A C 1.469 179.120 177.584 0.110 0.000 1.728 129 A CA -0.192 51.912 52.037 0.112 0.000 1.383 129 A CB -0.496 18.605 19.000 0.168 0.000 1.097 129 A HN 0.162 nan 8.150 nan 0.000 0.634 130 Q N 0.858 120.701 119.800 0.072 0.000 2.437 130 Q HA -0.152 4.180 4.340 -0.014 0.000 0.210 130 Q C 1.005 177.039 176.000 0.057 0.000 0.972 130 Q CA 1.457 57.291 55.803 0.052 0.000 0.903 130 Q CB 0.021 28.773 28.738 0.024 0.000 0.967 130 Q HN 0.975 nan 8.270 nan 0.000 0.486 131 D N -1.016 119.423 120.400 0.064 0.000 2.277 131 D HA -0.072 4.559 4.640 -0.014 0.000 0.208 131 D C 1.625 177.958 176.300 0.055 0.000 0.962 131 D CA 0.510 54.542 54.000 0.054 0.000 0.865 131 D CB -0.101 40.728 40.800 0.048 0.000 0.939 131 D HN 0.076 nan 8.370 nan 0.000 0.510 132 V N -0.161 119.801 119.914 0.081 0.000 3.048 132 V HA 0.145 4.257 4.120 -0.014 0.000 0.241 132 V C 1.565 177.702 176.094 0.071 0.000 1.129 132 V CA 0.312 62.648 62.300 0.061 0.000 1.128 132 V CB 0.367 32.223 31.823 0.055 0.000 0.849 132 V HN 0.097 nan 8.190 nan 0.000 0.475 133 L N 2.461 123.745 121.223 0.102 0.000 3.168 133 L HA 0.339 4.671 4.340 -0.014 0.000 0.277 133 L C -2.380 174.533 176.870 0.073 0.000 1.308 133 L CA -1.158 53.738 54.840 0.093 0.000 0.976 133 L CB 0.512 42.643 42.059 0.119 0.000 1.383 133 L HN 0.234 nan 8.230 nan 0.000 0.572 134 P HA 0.228 nan 4.420 nan 0.000 0.272 134 P C 0.778 178.127 177.300 0.082 0.000 1.230 134 P CA 0.606 63.748 63.100 0.070 0.000 0.788 134 P CB 1.721 33.460 31.700 0.065 0.000 0.949 135 G N -0.306 108.564 108.800 0.117 0.000 2.421 135 G HA2 -0.034 3.918 3.960 -0.014 0.000 0.188 135 G HA3 -0.034 3.918 3.960 -0.014 0.000 0.188 135 G C 0.309 175.361 174.900 0.253 0.000 1.001 135 G CA -0.021 45.173 45.100 0.156 0.000 0.693 135 G HN 0.893 nan 8.290 nan 0.000 0.479 136 G N -0.009 108.892 108.800 0.169 0.000 2.705 136 G HA2 0.748 4.700 3.960 -0.014 0.000 0.299 136 G HA3 0.748 4.700 3.960 -0.014 0.000 0.299 136 G C -2.835 172.089 174.900 0.040 0.000 1.315 136 G CA -1.244 43.893 45.100 0.061 0.000 1.045 136 G HN 0.135 nan 8.290 nan 0.000 0.517 137 P HA 0.212 nan 4.420 nan 0.000 0.271 137 P C 0.398 177.688 177.300 -0.016 0.000 1.218 137 P CA -0.022 63.069 63.100 -0.015 0.000 0.780 137 P CB 1.027 32.794 31.700 0.111 0.000 0.901 138 T N -2.974 111.519 114.554 -0.102 0.000 3.288 138 T HA 0.180 4.521 4.350 -0.014 0.000 0.293 138 T C 0.892 175.476 174.700 -0.193 0.000 1.008 138 T CA -0.093 61.913 62.100 -0.156 0.000 0.929 138 T CB -1.050 67.731 68.868 -0.145 0.000 1.152 138 T HN 0.108 nan 8.240 nan 0.000 0.517 139 Y N 1.597 121.894 120.300 -0.005 0.000 2.181 139 Y HA -0.093 4.449 4.550 -0.013 0.000 0.284 139 Y C 2.185 177.979 175.900 -0.176 0.000 1.179 139 Y CA 1.213 59.285 58.100 -0.046 0.000 1.179 139 Y CB -0.632 37.810 38.460 -0.030 0.000 0.973 139 Y HN 0.258 nan 8.280 nan 0.000 0.519 140 L N -0.705 120.484 121.223 -0.056 0.000 2.191 140 L HA -0.220 4.112 4.340 -0.014 0.000 0.212 140 L C 2.141 178.953 176.870 -0.098 0.000 1.103 140 L CA 0.931 55.719 54.840 -0.086 0.000 0.769 140 L CB -0.496 41.523 42.059 -0.067 0.000 0.908 140 L HN 0.308 nan 8.230 nan 0.000 0.438 141 I N 0.302 120.699 120.570 -0.289 0.000 2.113 141 I HA -0.188 3.973 4.170 -0.014 0.000 0.238 141 I C -0.218 175.845 176.117 -0.091 0.000 1.070 141 I CA 1.388 62.389 61.300 -0.499 0.000 1.332 141 I CB -1.600 36.016 38.000 -0.640 0.000 1.044 141 I HN 0.219 nan 8.210 nan 0.000 0.402 142 P HA -0.128 nan 4.420 nan 0.000 0.220 142 P C 1.888 179.222 177.300 0.056 0.000 1.148 142 P CA 1.476 64.594 63.100 0.031 0.000 0.803 142 P CB -0.068 31.655 31.700 0.037 0.000 0.782 143 L N -1.679 119.557 121.223 0.022 0.000 2.291 143 L HA -0.006 4.325 4.340 -0.014 0.000 0.214 143 L C 2.281 179.208 176.870 0.094 0.000 1.120 143 L CA 0.967 55.818 54.840 0.018 0.000 0.799 143 L CB -0.381 41.629 42.059 -0.083 0.000 0.925 143 L HN -0.058 nan 8.230 nan 0.000 0.446 144 L N -2.201 119.131 121.223 0.183 0.000 2.749 144 L HA 0.204 4.535 4.340 -0.014 0.000 0.242 144 L C 0.172 177.185 176.870 0.238 0.000 1.103 144 L CA -0.260 54.722 54.840 0.237 0.000 0.906 144 L CB 0.383 42.648 42.059 0.343 0.000 1.228 144 L HN -0.006 nan 8.230 nan 0.000 0.517 145 D N 1.027 121.620 120.400 0.322 0.000 2.304 145 D HA 0.066 4.698 4.640 -0.014 0.000 0.250 145 D C -0.583 175.814 176.300 0.163 0.000 1.107 145 D CA -0.049 54.136 54.000 0.308 0.000 0.885 145 D CB 1.027 42.078 40.800 0.418 0.000 1.192 145 D HN -0.106 nan 8.370 nan 0.000 0.436 146 D N 3.575 124.047 120.400 0.120 0.000 2.347 146 D HA 0.210 4.841 4.640 -0.014 0.000 0.235 146 D C -1.885 174.469 176.300 0.089 0.000 1.149 146 D CA -2.173 51.877 54.000 0.083 0.000 0.850 146 D CB 1.648 42.480 40.800 0.053 0.000 1.061 146 D HN 0.101 nan 8.370 nan 0.000 0.487 147 P HA -0.103 nan 4.420 nan 0.000 0.219 147 P C 0.709 178.043 177.300 0.057 0.000 1.146 147 P CA 0.885 64.028 63.100 0.071 0.000 0.808 147 P CB 0.371 32.107 31.700 0.060 0.000 0.779 148 E N -1.088 119.142 120.200 0.050 0.000 2.371 148 E HA -0.017 4.324 4.350 -0.014 0.000 0.194 148 E C 1.018 177.642 176.600 0.040 0.000 1.012 148 E CA 0.465 56.888 56.400 0.039 0.000 0.860 148 E CB 0.173 29.892 29.700 0.032 0.000 0.811 148 E HN 0.249 nan 8.360 nan 0.000 0.502 149 R N 1.016 121.546 120.500 0.050 0.000 2.837 149 R HA 0.209 4.541 4.340 -0.014 0.000 0.245 149 R C -2.827 173.518 176.300 0.075 0.000 1.712 149 R CA -1.418 54.713 56.100 0.051 0.000 1.539 149 R CB 0.825 31.148 30.300 0.039 0.000 1.490 149 R HN -0.120 nan 8.270 nan 0.000 0.667 150 P HA -0.089 nan 4.420 nan 0.000 0.266 150 P C -1.367 176.013 177.300 0.134 0.000 1.195 150 P CA 0.058 63.230 63.100 0.121 0.000 0.768 150 P CB 0.267 32.025 31.700 0.097 0.000 0.838 151 Y N 6.269 126.578 120.300 0.016 0.000 2.350 151 Y HA 0.305 4.846 4.550 -0.014 0.000 0.340 151 Y C -1.537 174.364 175.900 0.001 0.000 1.006 151 Y CA -2.369 55.676 58.100 -0.091 0.000 1.166 151 Y CB 0.931 39.169 38.460 -0.371 0.000 1.168 151 Y HN 0.359 nan 8.280 nan 0.000 0.502 152 P HA 0.250 nan 4.420 nan 0.000 0.257 152 P C 0.084 177.083 177.300 -0.500 0.000 1.325 152 P CA 0.847 63.733 63.100 -0.357 0.000 0.850 152 P CB 0.087 31.652 31.700 -0.226 0.000 1.324 153 G N 2.343 110.473 108.800 -1.117 0.000 2.730 153 G HA2 -0.141 3.810 3.960 -0.014 0.000 0.686 153 G HA3 -0.141 3.810 3.960 -0.014 0.000 0.686 153 G C -2.364 172.167 174.900 -0.614 0.000 1.343 153 G CA -0.305 44.377 45.100 -0.697 0.000 0.826 153 G HN -0.026 nan 8.290 nan 0.000 0.582 154 P HA 0.080 nan 4.420 nan 0.000 0.249 154 P C 0.797 177.918 177.300 -0.297 0.000 1.229 154 P CA 0.980 63.903 63.100 -0.295 0.000 0.788 154 P CB 0.024 31.569 31.700 -0.258 0.000 1.072 155 Y N 0.171 120.462 120.300 -0.015 0.000 2.490 155 Y HA 0.202 4.743 4.550 -0.015 0.000 0.285 155 Y C 2.498 178.380 175.900 -0.030 0.000 1.117 155 Y CA 0.321 58.417 58.100 -0.007 0.000 1.262 155 Y CB -0.507 37.950 38.460 -0.005 0.000 1.043 155 Y HN -0.109 nan 8.280 nan 0.000 0.553 156 R N -1.132 119.380 120.500 0.018 0.000 2.282 156 R HA 0.174 4.505 4.340 -0.014 0.000 0.195 156 R C 0.262 176.535 176.300 -0.045 0.000 0.909 156 R CA 0.598 56.689 56.100 -0.015 0.000 1.039 156 R CB 0.642 30.909 30.300 -0.054 0.000 1.015 156 R HN 0.016 nan 8.270 nan 0.000 0.513 157 T N 0.166 114.678 114.554 -0.070 0.000 2.923 157 T HA 0.095 4.437 4.350 -0.014 0.000 0.311 157 T C -1.095 173.609 174.700 0.008 0.000 1.183 157 T CA -0.804 61.279 62.100 -0.030 0.000 1.020 157 T CB 1.767 70.615 68.868 -0.034 0.000 1.165 157 T HN 0.167 nan 8.240 nan 0.000 0.482 158 D N 1.566 121.981 120.400 0.026 0.000 2.349 158 D HA 0.126 4.758 4.640 -0.014 0.000 0.214 158 D C 0.491 176.815 176.300 0.040 0.000 1.063 158 D CA -0.162 53.858 54.000 0.034 0.000 0.847 158 D CB 0.143 40.956 40.800 0.021 0.000 0.933 158 D HN 0.617 nan 8.370 nan 0.000 0.513 159 E N 1.424 121.656 120.200 0.053 0.000 2.290 159 E HA 0.179 4.520 4.350 -0.014 0.000 0.277 159 E C -2.153 174.483 176.600 0.060 0.000 1.035 159 E CA -1.961 54.466 56.400 0.044 0.000 0.873 159 E CB 0.768 30.492 29.700 0.040 0.000 1.029 159 E HN -0.011 nan 8.360 nan 0.000 0.419 160 P HA -0.041 nan 4.420 nan 0.000 0.270 160 P C -0.670 176.469 177.300 -0.269 0.000 1.223 160 P CA -0.505 62.528 63.100 -0.113 0.000 0.785 160 P CB 0.378 32.009 31.700 -0.114 0.000 0.923 161 L N 2.920 123.777 121.223 -0.611 0.000 2.584 161 L HA -0.040 4.291 4.340 -0.014 0.000 0.272 161 L C 1.494 178.135 176.870 -0.382 0.000 1.195 161 L CA 0.741 55.088 54.840 -0.822 0.000 0.920 161 L CB -0.199 41.242 42.059 -1.031 0.000 1.173 161 L HN 0.291 nan 8.230 nan 0.000 0.489 162 R N 1.988 122.327 120.500 -0.269 0.000 2.148 162 R HA -0.070 4.261 4.340 -0.014 0.000 0.227 162 R C 1.619 177.848 176.300 -0.117 0.000 1.103 162 R CA 1.248 57.261 56.100 -0.146 0.000 0.983 162 R CB -0.328 29.920 30.300 -0.087 0.000 0.874 162 R HN 0.903 nan 8.270 nan 0.000 0.451 163 S N -0.515 115.112 115.700 -0.121 0.000 2.603 163 S HA 0.084 4.546 4.470 -0.014 0.000 0.220 163 S C 0.718 175.277 174.600 -0.069 0.000 0.967 163 S CA -0.295 57.871 58.200 -0.057 0.000 0.920 163 S CB 0.305 63.503 63.200 -0.002 0.000 0.773 163 S HN -0.108 nan 8.310 nan 0.000 0.529 164 V N 2.809 122.633 119.914 -0.150 0.000 2.376 164 V HA 0.461 4.572 4.120 -0.014 0.000 0.287 164 V C -0.448 175.507 176.094 -0.231 0.000 1.015 164 V CA -0.726 61.429 62.300 -0.242 0.000 0.834 164 V CB 1.258 32.925 31.823 -0.260 0.000 1.001 164 V HN 0.384 nan 8.190 nan 0.000 0.428 165 L N 4.224 125.310 121.223 -0.228 0.000 2.334 165 L HA 0.737 5.068 4.340 -0.014 0.000 0.275 165 L C 0.364 177.134 176.870 -0.167 0.000 1.036 165 L CA -0.418 54.326 54.840 -0.161 0.000 0.807 165 L CB 2.097 44.088 42.059 -0.112 0.000 1.231 165 L HN 0.730 nan 8.230 nan 0.000 0.438 166 T N -2.233 112.249 114.554 -0.120 0.000 3.241 166 T HA 0.312 4.654 4.350 -0.014 0.000 0.387 166 T C -2.068 172.591 174.700 -0.068 0.000 1.451 166 T CA -1.437 60.604 62.100 -0.097 0.000 1.363 166 T CB 0.913 69.724 68.868 -0.094 0.000 1.074 166 T HN 0.304 nan 8.240 nan 0.000 0.598 167 P HA 0.011 nan 4.420 nan 0.000 0.218 167 P C 0.128 177.409 177.300 -0.031 0.000 1.148 167 P CA 1.312 64.389 63.100 -0.038 0.000 0.822 167 P CB 0.106 31.790 31.700 -0.026 0.000 0.784 168 D N -3.315 117.067 120.400 -0.031 0.000 2.752 168 D HA 0.116 4.747 4.640 -0.014 0.000 0.313 168 D C 0.471 176.721 176.300 -0.083 0.000 1.225 168 D CA -0.789 53.188 54.000 -0.037 0.000 0.976 168 D CB -0.031 40.769 40.800 -0.000 0.000 1.443 168 D HN -0.206 nan 8.370 nan 0.000 0.515 169 E N -1.439 118.666 120.200 -0.158 0.000 2.409 169 E HA -0.109 4.233 4.350 -0.014 0.000 0.198 169 E C 0.233 176.514 176.600 -0.531 0.000 1.024 169 E CA 0.747 56.940 56.400 -0.345 0.000 0.861 169 E CB -0.070 29.369 29.700 -0.434 0.000 0.788 169 E HN 0.365 nan 8.360 nan 0.000 0.521 170 H N -0.728 118.346 119.070 0.006 0.000 2.567 170 H HA 0.255 4.802 4.556 -0.014 0.000 0.267 170 H C -0.345 175.000 175.328 0.029 0.000 1.148 170 H CA 0.112 56.169 56.048 0.016 0.000 1.031 170 H CB 0.867 30.635 29.762 0.011 0.000 1.691 170 H HN -0.098 nan 8.280 nan 0.000 0.588 171 T N 1.497 116.095 114.554 0.073 0.000 2.916 171 T HA 0.505 4.846 4.350 -0.014 0.000 0.298 171 T C -0.467 174.247 174.700 0.024 0.000 1.031 171 T CA -0.489 61.652 62.100 0.069 0.000 0.993 171 T CB 2.416 71.311 68.868 0.045 0.000 1.045 171 T HN 0.155 nan 8.240 nan 0.000 0.454 172 I N 2.421 123.023 120.570 0.054 0.000 2.656 172 I HA 0.693 4.854 4.170 -0.014 0.000 0.292 172 I C -1.643 174.448 176.117 -0.043 0.000 1.144 172 I CA -0.916 60.349 61.300 -0.059 0.000 1.038 172 I CB 1.480 39.423 38.000 -0.096 0.000 1.244 172 I HN 0.404 nan 8.210 nan 0.000 0.420 173 V N 7.466 127.254 119.914 -0.210 0.000 2.531 173 V HA 0.458 4.569 4.120 -0.014 0.000 0.301 173 V C -0.915 175.024 176.094 -0.258 0.000 1.034 173 V CA -0.439 61.799 62.300 -0.104 0.000 0.865 173 V CB 1.599 33.387 31.823 -0.058 0.000 0.995 173 V HN 0.447 nan 8.190 nan 0.000 0.424 174 F N 3.759 123.776 119.950 0.111 0.000 2.388 174 F HA 0.569 5.088 4.527 -0.014 0.000 0.358 174 F C 0.832 176.617 175.800 -0.025 0.000 1.122 174 F CA -0.573 57.446 58.000 0.031 0.000 1.056 174 F CB 1.384 40.370 39.000 -0.024 0.000 1.155 174 F HN 0.252 nan 8.300 nan 0.000 0.461 175 R N 5.048 125.616 120.500 0.114 0.000 2.233 175 R HA 0.447 4.778 4.340 -0.014 0.000 0.334 175 R C -0.756 175.582 176.300 0.063 0.000 1.037 175 R CA -0.486 55.654 56.100 0.066 0.000 0.920 175 R CB 0.720 31.035 30.300 0.025 0.000 1.137 175 R HN 0.610 nan 8.270 nan 0.000 0.492 176 L N 1.386 122.641 121.223 0.054 0.000 2.439 176 L HA 0.193 4.525 4.340 -0.014 0.000 0.261 176 L C 1.885 178.794 176.870 0.064 0.000 1.153 176 L CA -0.339 54.524 54.840 0.038 0.000 0.808 176 L CB 1.083 43.145 42.059 0.005 0.000 1.126 176 L HN 0.625 nan 8.230 nan 0.000 0.460 177 T N -1.692 112.903 114.554 0.069 0.000 3.085 177 T HA 0.035 4.377 4.350 -0.014 0.000 0.263 177 T C 0.548 175.300 174.700 0.087 0.000 1.127 177 T CA 0.141 62.286 62.100 0.074 0.000 1.103 177 T CB -0.148 68.767 68.868 0.079 0.000 0.921 177 T HN 0.762 nan 8.240 nan 0.000 0.510 178 R N -0.785 119.781 120.500 0.109 0.000 2.690 178 R HA 0.518 4.849 4.340 -0.014 0.000 0.269 178 R C -3.707 172.707 176.300 0.190 0.000 1.037 178 R CA -2.190 53.994 56.100 0.140 0.000 0.877 178 R CB -0.158 30.236 30.300 0.156 0.000 1.255 178 R HN -0.123 nan 8.270 nan 0.000 0.467 179 P HA 0.078 nan 4.420 nan 0.000 0.266 179 P C -1.351 176.154 177.300 0.343 0.000 1.195 179 P CA 0.141 63.401 63.100 0.265 0.000 0.768 179 P CB 0.153 32.006 31.700 0.254 0.000 0.838 180 F N 1.931 122.007 119.950 0.210 0.000 3.034 180 F HA 0.161 4.679 4.527 -0.015 0.000 0.371 180 F C 1.171 177.116 175.800 0.241 0.000 1.233 180 F CA -0.245 57.828 58.000 0.122 0.000 1.134 180 F CB 0.580 39.588 39.000 0.014 0.000 1.495 180 F HN 0.264 nan 8.300 nan 0.000 0.563 181 S N 0.786 116.411 115.700 -0.126 0.000 2.419 181 S HA -0.162 4.299 4.470 -0.014 0.000 0.235 181 S C 0.777 175.434 174.600 0.094 0.000 1.019 181 S CA 1.596 59.859 58.200 0.106 0.000 0.982 181 S CB -0.146 63.075 63.200 0.035 0.000 0.789 181 S HN 0.576 nan 8.310 nan 0.000 0.490 182 D N 0.123 120.308 120.400 -0.359 0.000 2.395 182 D HA 0.313 4.944 4.640 -0.014 0.000 0.226 182 D C 0.593 176.882 176.300 -0.018 0.000 1.146 182 D CA -0.289 53.648 54.000 -0.106 0.000 0.830 182 D CB -0.371 40.290 40.800 -0.231 0.000 0.958 182 D HN 0.351 nan 8.370 nan 0.000 0.501 183 F N 1.552 121.259 119.950 -0.405 0.000 2.171 183 F HA -0.178 4.341 4.527 -0.013 0.000 0.300 183 F C 1.659 177.113 175.800 -0.578 0.000 1.090 183 F CA 1.272 58.831 58.000 -0.735 0.000 1.293 183 F CB 0.300 38.205 39.000 -1.826 0.000 1.013 183 F HN -0.124 nan 8.300 nan 0.000 0.486 184 D N -0.873 119.333 120.400 -0.324 0.000 2.182 184 D HA -0.209 4.423 4.640 -0.014 0.000 0.201 184 D C 2.210 178.261 176.300 -0.414 0.000 0.986 184 D CA 1.353 55.241 54.000 -0.188 0.000 0.847 184 D CB -0.487 40.299 40.800 -0.023 0.000 0.942 184 D HN 0.460 nan 8.370 nan 0.000 0.467 185 H N 0.038 118.900 119.070 -0.346 0.000 2.389 185 H HA 0.000 4.547 4.556 -0.016 0.000 0.299 185 H C 2.368 177.376 175.328 -0.534 0.000 1.081 185 H CA 0.610 56.446 56.048 -0.354 0.000 1.345 185 H CB 0.001 29.592 29.762 -0.286 0.000 1.393 185 H HN 0.204 nan 8.280 nan 0.000 0.520 186 L N 0.121 120.955 121.223 -0.649 0.000 2.141 186 L HA -0.142 4.189 4.340 -0.014 0.000 0.209 186 L C 2.271 178.715 176.870 -0.711 0.000 1.094 186 L CA 0.548 54.938 54.840 -0.751 0.000 0.763 186 L CB -0.274 41.211 42.059 -0.956 0.000 0.908 186 L HN 0.202 nan 8.230 nan 0.000 0.437 187 M N -0.491 118.642 119.600 -0.777 0.000 2.557 187 M HA -0.007 4.465 4.480 -0.014 0.000 0.259 187 M C 2.072 178.107 176.300 -0.441 0.000 1.086 187 M CA 0.870 55.784 55.300 -0.644 0.000 1.096 187 M CB -0.930 31.249 32.600 -0.701 0.000 1.424 187 M HN 0.239 nan 8.290 nan 0.000 0.488 188 A N -0.537 122.041 122.820 -0.403 0.000 2.267 188 A HA 0.096 4.407 4.320 -0.014 0.000 0.213 188 A C 0.976 178.423 177.584 -0.229 0.000 1.192 188 A CA -0.107 51.743 52.037 -0.311 0.000 0.851 188 A CB -0.011 18.712 19.000 -0.462 0.000 0.881 188 A HN 0.450 nan 8.150 nan 0.000 0.494 189 Q N 0.367 119.970 119.800 -0.328 0.000 2.340 189 Q HA 0.166 4.497 4.340 -0.014 0.000 0.249 189 Q C -1.590 174.091 176.000 -0.531 0.000 0.957 189 Q CA -2.001 53.483 55.803 -0.531 0.000 0.882 189 Q CB 0.838 29.256 28.738 -0.533 0.000 1.235 189 Q HN 0.160 nan 8.270 nan 0.000 0.439 190 P HA -0.168 nan 4.420 nan 0.000 0.219 190 P C 1.121 178.228 177.300 -0.322 0.000 1.146 190 P CA 1.141 63.964 63.100 -0.462 0.000 0.808 190 P CB -0.208 31.169 31.700 -0.539 0.000 0.779 191 C N -1.765 117.320 119.300 -0.358 0.000 2.449 191 C HA 0.347 4.798 4.460 -0.014 0.000 0.283 191 C C 2.457 177.344 174.990 -0.171 0.000 1.453 191 C CA 0.255 59.144 59.018 -0.215 0.000 1.779 191 C CB -2.019 25.606 27.740 -0.191 0.000 1.779 191 C HN 0.205 nan 8.230 nan 0.000 0.546 192 A N 0.242 122.934 122.820 -0.214 0.000 2.348 192 A HA 0.688 4.999 4.320 -0.014 0.000 0.224 192 A C 1.288 178.802 177.584 -0.117 0.000 1.227 192 A CA 0.550 52.482 52.037 -0.176 0.000 0.885 192 A CB -0.607 18.225 19.000 -0.280 0.000 0.933 192 A HN 0.823 nan 8.150 nan 0.000 0.506 193 A N 2.025 124.786 122.820 -0.098 0.000 2.477 193 A HA 0.509 4.821 4.320 -0.014 0.000 0.246 193 A C -2.256 175.357 177.584 0.047 0.000 1.078 193 A CA -1.067 50.956 52.037 -0.023 0.000 0.770 193 A CB -0.309 18.686 19.000 -0.008 0.000 1.011 193 A HN 0.286 nan 8.150 nan 0.000 0.494 194 P HA 0.198 nan 4.420 nan 0.000 0.266 194 P C -0.776 176.661 177.300 0.228 0.000 1.195 194 P CA 0.158 63.364 63.100 0.176 0.000 0.768 194 P CB 0.698 32.532 31.700 0.224 0.000 0.838 195 V N 5.548 125.554 119.914 0.153 0.000 2.482 195 V HA 0.301 4.413 4.120 -0.014 0.000 0.295 195 V C -2.177 173.948 176.094 0.051 0.000 1.026 195 V CA -2.010 60.325 62.300 0.057 0.000 0.856 195 V CB 2.001 33.777 31.823 -0.080 0.000 1.001 195 V HN 0.523 nan 8.190 nan 0.000 0.424 196 P HA 0.255 nan 4.420 nan 0.000 0.281 196 P C 0.513 177.677 177.300 -0.227 0.000 1.252 196 P CA -0.337 62.681 63.100 -0.136 0.000 0.778 196 P CB 1.294 32.853 31.700 -0.234 0.000 0.895 197 R N 4.093 124.341 120.500 -0.419 0.000 2.117 197 R HA -0.195 4.136 4.340 -0.014 0.000 0.243 197 R C 2.265 178.411 176.300 -0.256 0.000 1.143 197 R CA 1.825 57.541 56.100 -0.639 0.000 0.968 197 R CB -0.157 29.718 30.300 -0.707 0.000 0.863 197 R HN 0.485 nan 8.270 nan 0.000 0.444 198 R N -0.931 119.468 120.500 -0.169 0.000 2.200 198 R HA -0.026 4.305 4.340 -0.014 0.000 0.234 198 R C 1.205 177.473 176.300 -0.053 0.000 1.127 198 R CA 1.850 57.897 56.100 -0.089 0.000 0.989 198 R CB -0.128 30.131 30.300 -0.068 0.000 0.869 198 R HN 0.013 nan 8.270 nan 0.000 0.459 199 S N 0.076 115.742 115.700 -0.056 0.000 2.559 199 S HA 0.022 4.483 4.470 -0.014 0.000 0.226 199 S C -0.422 174.249 174.600 0.118 0.000 1.000 199 S CA -0.426 57.792 58.200 0.030 0.000 0.948 199 S CB 0.437 63.652 63.200 0.025 0.000 0.870 199 S HN 0.252 nan 8.310 nan 0.000 0.497 200 D N 3.056 123.464 120.400 0.013 0.000 2.402 200 D HA 0.100 4.732 4.640 -0.014 0.000 0.235 200 D C 1.027 177.387 176.300 0.100 0.000 1.226 200 D CA 0.087 54.083 54.000 -0.007 0.000 0.918 200 D CB 0.620 41.457 40.800 0.062 0.000 1.043 200 D HN 0.199 nan 8.370 nan 0.000 0.506 201 T N 0.870 115.530 114.554 0.177 0.000 3.317 201 T HA 0.384 4.725 4.350 -0.014 0.000 0.250 201 T C 1.343 176.062 174.700 0.031 0.000 1.106 201 T CA -0.022 62.140 62.100 0.104 0.000 0.986 201 T CB -0.232 68.711 68.868 0.124 0.000 1.010 201 T HN 0.477 nan 8.240 nan 0.000 0.560 202 G N 1.942 110.746 108.800 0.007 0.000 2.596 202 G HA2 -0.300 3.652 3.960 -0.014 0.000 0.304 202 G HA3 -0.300 3.652 3.960 -0.014 0.000 0.304 202 G C 1.323 176.209 174.900 -0.024 0.000 1.189 202 G CA 0.538 45.541 45.100 -0.162 0.000 0.986 202 G HN 1.145 nan 8.290 nan 0.000 0.548 203 A N -0.702 122.068 122.820 -0.083 0.000 2.076 203 A HA 0.099 4.411 4.320 -0.014 0.000 0.220 203 A C 1.788 179.393 177.584 0.035 0.000 1.160 203 A CA 2.489 54.519 52.037 -0.012 0.000 0.653 203 A CB -0.306 18.672 19.000 -0.036 0.000 0.801 203 A HN 0.589 nan 8.150 nan 0.000 0.455 204 D N -2.452 117.974 120.400 0.043 0.000 2.340 204 D HA 0.054 4.686 4.640 -0.014 0.000 0.217 204 D C 1.027 177.386 176.300 0.098 0.000 1.081 204 D CA -0.015 54.018 54.000 0.055 0.000 0.842 204 D CB -0.098 40.721 40.800 0.032 0.000 0.934 204 D HN 0.543 nan 8.370 nan 0.000 0.511 205 Y N 2.034 122.336 120.300 0.004 0.000 2.207 205 Y HA -0.133 4.408 4.550 -0.015 0.000 0.287 205 Y C 2.305 178.213 175.900 0.012 0.000 1.156 205 Y CA 1.761 59.870 58.100 0.014 0.000 1.182 205 Y CB -0.384 38.096 38.460 0.033 0.000 0.979 205 Y HN 0.012 nan 8.280 nan 0.000 0.521 206 G N -0.285 108.508 108.800 -0.013 0.000 2.470 206 G HA2 -0.229 3.723 3.960 -0.014 0.000 0.220 206 G HA3 -0.229 3.723 3.960 -0.014 0.000 0.220 206 G C 1.750 176.596 174.900 -0.091 0.000 1.121 206 G CA 0.542 45.591 45.100 -0.086 0.000 0.766 206 G HN 0.377 nan 8.290 nan 0.000 0.553 207 R N -0.593 119.874 120.500 -0.055 0.000 2.189 207 R HA 0.042 4.373 4.340 -0.014 0.000 0.218 207 R C 0.118 176.379 176.300 -0.065 0.000 1.074 207 R CA 1.059 57.143 56.100 -0.027 0.000 0.991 207 R CB 0.249 30.548 30.300 -0.002 0.000 0.883 207 R HN 0.247 nan 8.270 nan 0.000 0.457 208 D N -0.270 120.038 120.400 -0.153 0.000 3.250 208 D HA 0.106 4.737 4.640 -0.014 0.000 0.252 208 D C -2.745 173.335 176.300 -0.366 0.000 1.342 208 D CA -1.549 52.351 54.000 -0.168 0.000 0.807 208 D CB 0.812 41.563 40.800 -0.080 0.000 1.449 208 D HN -0.107 nan 8.370 nan 0.000 0.610 209 P HA 0.311 nan 4.420 nan 0.000 0.278 209 P C -0.040 177.057 177.300 -0.338 0.000 1.238 209 P CA -0.589 61.978 63.100 -0.887 0.000 0.794 209 P CB 1.065 32.379 31.700 -0.643 0.000 0.955 210 R N 1.021 121.429 120.500 -0.154 0.000 2.641 210 R HA 0.406 4.738 4.340 -0.014 0.000 0.269 210 R C 0.212 176.580 176.300 0.113 0.000 1.074 210 R CA -0.108 55.996 56.100 0.006 0.000 1.133 210 R CB 0.179 30.411 30.300 -0.114 0.000 1.029 210 R HN 0.481 nan 8.270 nan 0.000 0.488 211 S N -0.005 115.811 115.700 0.193 0.000 2.502 211 S HA 0.156 4.618 4.470 -0.014 0.000 0.304 211 S C 0.668 175.456 174.600 0.313 0.000 1.097 211 S CA -0.667 57.658 58.200 0.208 0.000 1.045 211 S CB 1.694 64.970 63.200 0.127 0.000 1.019 211 S HN 0.648 nan 8.310 nan 0.000 0.481 212 S N 1.373 117.228 115.700 0.258 0.000 2.523 212 S HA 0.295 4.757 4.470 -0.014 0.000 0.217 212 S C 0.919 175.623 174.600 0.173 0.000 0.996 212 S CA -0.263 58.038 58.200 0.168 0.000 0.921 212 S CB 0.150 63.395 63.200 0.075 0.000 0.829 212 S HN 0.712 nan 8.310 nan 0.000 0.495 213 G N 2.228 111.083 108.800 0.092 0.000 2.537 213 G HA2 0.494 4.446 3.960 -0.014 0.000 0.297 213 G HA3 0.494 4.446 3.960 -0.014 0.000 0.297 213 G C -1.770 172.898 174.900 -0.387 0.000 1.310 213 G CA -1.616 43.442 45.100 -0.069 0.000 1.027 213 G HN 0.127 nan 8.290 nan 0.000 0.505 214 P HA 0.011 nan 4.420 nan 0.000 0.230 214 P C -0.653 176.013 177.300 -1.057 0.000 1.158 214 P CA 0.995 63.175 63.100 -1.533 0.000 0.769 214 P CB 0.080 30.544 31.700 -2.060 0.000 0.807 215 Y N 0.122 120.255 120.300 -0.279 0.000 2.570 215 Y HA 0.507 5.048 4.550 -0.015 0.000 0.345 215 Y C 1.086 176.956 175.900 -0.049 0.000 1.014 215 Y CA -1.150 56.876 58.100 -0.124 0.000 1.063 215 Y CB 1.754 40.149 38.460 -0.108 0.000 1.272 215 Y HN -0.228 nan 8.280 nan 0.000 0.477 216 R N -0.529 120.055 120.500 0.139 0.000 2.854 216 R HA 0.820 5.151 4.340 -0.014 0.000 0.271 216 R C -1.871 174.489 176.300 0.100 0.000 0.994 216 R CA -1.078 55.082 56.100 0.100 0.000 0.945 216 R CB 1.231 31.582 30.300 0.085 0.000 1.194 216 R HN 0.383 nan 8.270 nan 0.000 0.476 217 V N 2.221 122.172 119.914 0.062 0.000 2.485 217 V HA 0.099 4.210 4.120 -0.014 0.000 0.287 217 V C 1.147 177.285 176.094 0.074 0.000 1.022 217 V CA 0.795 63.130 62.300 0.059 0.000 1.067 217 V CB 0.517 32.350 31.823 0.017 0.000 0.967 217 V HN 1.035 nan 8.190 nan 0.000 0.479 218 A N 5.507 128.390 122.820 0.104 0.000 1.924 218 A HA 0.273 4.584 4.320 -0.014 0.000 0.211 218 A C 1.162 178.801 177.584 0.090 0.000 1.198 218 A CA 0.518 52.617 52.037 0.105 0.000 0.657 218 A CB 0.227 19.309 19.000 0.137 0.000 0.852 218 A HN 0.703 nan 8.150 nan 0.000 0.454 219 R N -1.169 119.388 120.500 0.096 0.000 2.561 219 R HA 0.395 4.726 4.340 -0.014 0.000 0.266 219 R C -2.147 174.201 176.300 0.080 0.000 1.091 219 R CA -0.583 55.548 56.100 0.051 0.000 0.927 219 R CB 1.107 31.401 30.300 -0.009 0.000 1.240 219 R HN 0.441 nan 8.270 nan 0.000 0.449 220 H N 2.485 121.533 119.070 -0.038 0.000 2.658 220 H HA 0.281 4.828 4.556 -0.014 0.000 0.337 220 H C -1.421 173.883 175.328 -0.040 0.000 1.009 220 H CA -0.700 55.328 56.048 -0.034 0.000 1.231 220 H CB 1.332 31.088 29.762 -0.009 0.000 1.508 220 H HN 0.632 nan 8.280 nan 0.000 0.517 221 E N 5.536 125.548 120.200 -0.313 0.000 2.145 221 E HA 0.416 4.757 4.350 -0.014 0.000 0.262 221 E C -2.919 173.404 176.600 -0.463 0.000 0.883 221 E CA -2.454 53.733 56.400 -0.355 0.000 0.748 221 E CB 1.700 31.294 29.700 -0.177 0.000 1.140 221 E HN 0.299 nan 8.360 nan 0.000 0.417 222 P HA -0.106 nan 4.420 nan 0.000 0.261 222 P C -0.449 176.784 177.300 -0.113 0.000 1.173 222 P CA 0.595 63.502 63.100 -0.322 0.000 0.760 222 P CB 0.296 31.895 31.700 -0.169 0.000 0.783 223 D N 0.669 121.068 120.400 -0.001 0.000 3.077 223 D HA -0.147 4.485 4.640 -0.014 0.000 0.217 223 D C 0.578 176.885 176.300 0.011 0.000 1.162 223 D CA 1.807 55.825 54.000 0.030 0.000 0.943 223 D CB -1.374 39.437 40.800 0.018 0.000 1.122 223 D HN 0.391 nan 8.370 nan 0.000 0.413 224 T N -1.757 112.794 114.554 -0.005 0.000 3.358 224 T HA 0.353 4.694 4.350 -0.014 0.000 0.263 224 T C 0.324 175.030 174.700 0.010 0.000 0.998 224 T CA 0.736 62.831 62.100 -0.010 0.000 1.130 224 T CB 0.818 69.661 68.868 -0.041 0.000 1.165 224 T HN 0.210 nan 8.240 nan 0.000 0.426 225 L N -0.475 120.748 121.223 -0.000 0.000 2.622 225 L HA 0.937 5.269 4.340 -0.014 0.000 0.258 225 L C -2.188 174.733 176.870 0.086 0.000 0.996 225 L CA -1.292 53.560 54.840 0.020 0.000 0.858 225 L CB 1.846 43.849 42.059 -0.093 0.000 1.449 225 L HN 0.078 nan 8.230 nan 0.000 0.411 226 L N 0.904 122.211 121.223 0.139 0.000 2.441 226 L HA 0.607 4.939 4.340 -0.014 0.000 0.270 226 L C -1.420 175.608 176.870 0.262 0.000 0.973 226 L CA 0.233 55.182 54.840 0.181 0.000 0.842 226 L CB 1.594 43.761 42.059 0.179 0.000 1.239 226 L HN 0.766 nan 8.230 nan 0.000 0.406 227 H N 5.480 124.604 119.070 0.091 0.000 2.466 227 H HA 0.658 5.205 4.556 -0.014 0.000 0.338 227 H C -1.004 174.360 175.328 0.060 0.000 1.091 227 H CA -1.036 55.052 56.048 0.066 0.000 1.207 227 H CB 1.819 31.620 29.762 0.065 0.000 1.466 227 H HN 0.455 nan 8.280 nan 0.000 0.493 228 L N 3.133 124.452 121.223 0.160 0.000 2.346 228 L HA 0.376 4.707 4.340 -0.014 0.000 0.276 228 L C -0.015 176.952 176.870 0.162 0.000 1.006 228 L CA -0.732 54.186 54.840 0.129 0.000 0.817 228 L CB 1.909 44.001 42.059 0.055 0.000 1.272 228 L HN 0.723 nan 8.230 nan 0.000 0.421 229 E N 2.178 122.497 120.200 0.198 0.000 2.339 229 E HA 0.537 4.878 4.350 -0.014 0.000 0.262 229 E C -0.931 175.786 176.600 0.196 0.000 0.934 229 E CA -1.165 55.350 56.400 0.192 0.000 0.802 229 E CB 1.600 31.369 29.700 0.114 0.000 1.275 229 E HN 0.402 nan 8.360 nan 0.000 0.427 230 R N 0.986 121.529 120.500 0.071 0.000 2.623 230 R HA 0.049 4.381 4.340 -0.014 0.000 0.271 230 R C 0.009 176.254 176.300 -0.092 0.000 1.043 230 R CA -0.311 55.686 56.100 -0.171 0.000 1.083 230 R CB 0.115 30.329 30.300 -0.142 0.000 0.974 230 R HN 0.475 nan 8.270 nan 0.000 0.436 231 N N 4.300 122.909 118.700 -0.151 0.000 2.402 231 N HA 0.058 4.790 4.740 -0.014 0.000 0.252 231 N C -1.758 173.779 175.510 0.045 0.000 1.118 231 N CA -2.061 50.991 53.050 0.004 0.000 0.945 231 N CB 0.994 39.502 38.487 0.035 0.000 1.147 231 N HN 0.316 nan 8.380 nan 0.000 0.495 232 P HA -0.069 nan 4.420 nan 0.000 0.226 232 P C 0.280 177.448 177.300 -0.220 0.000 1.153 232 P CA 1.171 64.194 63.100 -0.128 0.000 0.777 232 P CB 0.226 31.792 31.700 -0.223 0.000 0.794 233 H N -3.100 116.031 119.070 0.102 0.000 2.575 233 H HA 0.069 4.616 4.556 -0.014 0.000 0.267 233 H C 0.344 175.736 175.328 0.107 0.000 0.966 233 H CA -0.479 55.620 56.048 0.085 0.000 1.165 233 H CB -0.189 29.621 29.762 0.080 0.000 1.433 233 H HN 0.208 nan 8.280 nan 0.000 0.544 234 W N 3.304 124.623 121.300 0.031 0.000 2.210 234 W HA 0.097 4.747 4.660 -0.017 0.000 0.330 234 W C -0.255 176.248 176.519 -0.026 0.000 1.334 234 W CA -0.088 57.251 57.345 -0.010 0.000 1.227 234 W CB 0.530 29.959 29.460 -0.051 0.000 1.178 234 W HN -0.089 nan 8.180 nan 0.000 0.560 235 D N 5.821 125.769 120.400 -0.753 0.000 2.441 235 D HA 0.125 4.756 4.640 -0.014 0.000 0.231 235 D C 1.299 176.900 176.300 -1.166 0.000 1.073 235 D CA -0.356 53.216 54.000 -0.714 0.000 0.850 235 D CB 0.867 41.447 40.800 -0.367 0.000 1.062 235 D HN 0.670 nan 8.370 nan 0.000 0.524 236 R N 3.022 122.784 120.500 -1.230 0.000 2.117 236 R HA -0.213 4.118 4.340 -0.014 0.000 0.243 236 R C 1.608 177.620 176.300 -0.480 0.000 1.143 236 R CA 1.860 57.344 56.100 -1.027 0.000 0.968 236 R CB -0.002 30.025 30.300 -0.455 0.000 0.863 236 R HN 0.450 nan 8.270 nan 0.000 0.444 237 A N -0.278 122.333 122.820 -0.348 0.000 2.125 237 A HA -0.117 4.195 4.320 -0.014 0.000 0.219 237 A C 1.873 179.350 177.584 -0.179 0.000 1.156 237 A CA 1.766 53.682 52.037 -0.201 0.000 0.671 237 A CB -0.446 18.462 19.000 -0.153 0.000 0.794 237 A HN 0.625 nan 8.150 nan 0.000 0.459 238 T N -3.965 110.439 114.554 -0.249 0.000 3.054 238 T HA 0.172 4.514 4.350 -0.014 0.000 0.255 238 T C -0.025 174.604 174.700 -0.117 0.000 1.035 238 T CA 0.248 62.245 62.100 -0.171 0.000 0.941 238 T CB 0.099 68.857 68.868 -0.184 0.000 1.026 238 T HN 0.191 nan 8.240 nan 0.000 0.533 239 D N 2.440 122.769 120.400 -0.119 0.000 2.453 239 D HA 0.315 4.946 4.640 -0.014 0.000 0.238 239 D C -1.974 174.381 176.300 0.092 0.000 1.088 239 D CA -2.100 51.931 54.000 0.051 0.000 0.854 239 D CB 2.450 43.396 40.800 0.243 0.000 1.076 239 D HN 0.036 nan 8.370 nan 0.000 0.533 240 P HA 0.130 nan 4.420 nan 0.000 0.255 240 P C 0.995 178.363 177.300 0.113 0.000 1.248 240 P CA -0.023 63.125 63.100 0.080 0.000 0.807 240 P CB 0.844 32.578 31.700 0.057 0.000 1.150 241 I N -0.538 120.125 120.570 0.154 0.000 3.300 241 I HA 0.144 4.306 4.170 -0.014 0.000 0.279 241 I C 0.999 177.231 176.117 0.191 0.000 1.172 241 I CA 0.376 61.776 61.300 0.166 0.000 1.431 241 I CB -0.368 37.728 38.000 0.161 0.000 1.240 241 I HN -0.087 nan 8.210 nan 0.000 0.453 242 R N 2.472 123.120 120.500 0.246 0.000 2.310 242 R HA 0.287 4.619 4.340 -0.014 0.000 0.324 242 R C -1.699 174.772 176.300 0.285 0.000 0.955 242 R CA -1.375 54.864 56.100 0.232 0.000 0.830 242 R CB 1.411 31.816 30.300 0.175 0.000 1.154 242 R HN -0.019 nan 8.270 nan 0.000 0.458 243 P HA -0.065 nan 4.420 nan 0.000 0.225 243 P C 0.086 177.511 177.300 0.209 0.000 1.156 243 P CA 0.533 63.756 63.100 0.206 0.000 0.787 243 P CB 0.304 32.092 31.700 0.146 0.000 0.802 244 A N -0.405 122.499 122.820 0.140 0.000 2.415 244 A HA -0.192 4.120 4.320 -0.014 0.000 0.292 244 A C 1.089 178.782 177.584 0.183 0.000 1.452 244 A CA 0.655 52.759 52.037 0.113 0.000 0.750 244 A CB -2.341 16.475 19.000 -0.307 0.000 1.099 244 A HN 0.235 nan 8.150 nan 0.000 0.391 245 L N 0.229 121.554 121.223 0.170 0.000 2.049 245 L HA 0.065 4.397 4.340 -0.014 0.000 0.203 245 L C -1.101 175.854 176.870 0.141 0.000 1.074 245 L CA 0.673 55.593 54.840 0.134 0.000 0.749 245 L CB -1.120 40.997 42.059 0.096 0.000 0.907 245 L HN 0.435 nan 8.230 nan 0.000 0.439 246 P HA 0.020 nan 4.420 nan 0.000 0.272 246 P C -0.481 176.943 177.300 0.206 0.000 1.223 246 P CA 0.116 63.286 63.100 0.117 0.000 0.784 246 P CB 0.656 32.370 31.700 0.023 0.000 0.923 247 D N 0.498 120.981 120.400 0.139 0.000 2.277 247 D HA -0.016 4.615 4.640 -0.014 0.000 0.208 247 D C 0.879 177.288 176.300 0.182 0.000 0.962 247 D CA 1.298 55.386 54.000 0.146 0.000 0.865 247 D CB 0.395 41.242 40.800 0.079 0.000 0.939 247 D HN 0.371 nan 8.370 nan 0.000 0.510 248 R N -0.409 120.162 120.500 0.119 0.000 2.643 248 R HA 0.433 4.765 4.340 -0.014 0.000 0.269 248 R C -2.058 174.216 176.300 -0.044 0.000 1.037 248 R CA -0.508 55.627 56.100 0.058 0.000 0.894 248 R CB 1.848 32.153 30.300 0.008 0.000 1.238 248 R HN -0.266 nan 8.270 nan 0.000 0.459 249 V N 2.881 122.739 119.914 -0.093 0.000 2.487 249 V HA 0.419 4.530 4.120 -0.014 0.000 0.298 249 V C -0.777 175.285 176.094 -0.053 0.000 1.028 249 V CA -0.694 61.534 62.300 -0.121 0.000 0.860 249 V CB 1.771 33.448 31.823 -0.243 0.000 0.991 249 V HN 0.759 nan 8.190 nan 0.000 0.427 250 E N 3.886 124.065 120.200 -0.034 0.000 2.185 250 E HA 0.458 4.799 4.350 -0.014 0.000 0.261 250 E C -1.308 175.370 176.600 0.131 0.000 0.879 250 E CA -0.811 55.601 56.400 0.019 0.000 0.756 250 E CB 2.544 32.138 29.700 -0.177 0.000 1.152 250 E HN 0.477 nan 8.360 nan 0.000 0.416 251 L N 2.952 124.292 121.223 0.195 0.000 2.272 251 L HA 0.351 4.683 4.340 -0.014 0.000 0.289 251 L C -0.577 176.368 176.870 0.126 0.000 1.032 251 L CA 0.101 55.014 54.840 0.122 0.000 0.810 251 L CB 1.468 43.596 42.059 0.115 0.000 1.205 251 L HN 0.320 nan 8.230 nan 0.000 0.422 252 T N 6.718 121.290 114.554 0.029 0.000 2.799 252 T HA 0.583 4.924 4.350 -0.014 0.000 0.286 252 T C -0.009 174.622 174.700 -0.116 0.000 0.973 252 T CA -0.002 62.093 62.100 -0.009 0.000 1.035 252 T CB 0.442 69.304 68.868 -0.008 0.000 0.932 252 T HN 0.437 nan 8.240 nan 0.000 0.469 253 I N 1.674 122.220 120.570 -0.041 0.000 2.530 253 I HA 0.576 4.737 4.170 -0.014 0.000 0.297 253 I C 1.076 177.170 176.117 -0.039 0.000 1.011 253 I CA -0.467 60.812 61.300 -0.035 0.000 1.107 253 I CB 1.917 39.954 38.000 0.062 0.000 1.285 253 I HN 0.875 nan 8.210 nan 0.000 0.436 254 G N 4.775 113.540 108.800 -0.058 0.000 2.184 254 G HA2 -0.164 3.788 3.960 -0.014 0.000 0.206 254 G HA3 -0.164 3.788 3.960 -0.014 0.000 0.206 254 G C 0.028 174.898 174.900 -0.050 0.000 0.995 254 G CA -0.677 44.403 45.100 -0.033 0.000 0.651 254 G HN 0.419 nan 8.290 nan 0.000 0.511 255 L N 1.280 122.452 121.223 -0.086 0.000 2.456 255 L HA 0.332 4.663 4.340 -0.014 0.000 0.272 255 L C 1.010 177.837 176.870 -0.071 0.000 1.189 255 L CA -0.206 54.590 54.840 -0.073 0.000 0.846 255 L CB 0.397 42.396 42.059 -0.101 0.000 1.111 255 L HN 0.363 nan 8.230 nan 0.000 0.475 256 D N 0.763 121.134 120.400 -0.047 0.000 2.478 256 D HA -0.009 4.622 4.640 -0.014 0.000 0.234 256 D C 1.141 177.403 176.300 -0.063 0.000 1.154 256 D CA -0.063 53.907 54.000 -0.049 0.000 0.874 256 D CB 1.211 41.991 40.800 -0.032 0.000 1.198 256 D HN 0.345 nan 8.370 nan 0.000 0.455 257 V N 0.551 120.423 119.914 -0.070 0.000 2.407 257 V HA -0.158 3.953 4.120 -0.014 0.000 0.248 257 V C 1.403 177.460 176.094 -0.062 0.000 1.055 257 V CA 1.695 63.947 62.300 -0.080 0.000 1.049 257 V CB -0.492 31.280 31.823 -0.086 0.000 0.662 257 V HN 0.557 nan 8.190 nan 0.000 0.455 258 D N 0.591 120.964 120.400 -0.044 0.000 2.149 258 D HA -0.047 4.584 4.640 -0.014 0.000 0.201 258 D C 2.360 178.645 176.300 -0.026 0.000 0.972 258 D CA 1.487 55.468 54.000 -0.032 0.000 0.835 258 D CB 0.052 40.839 40.800 -0.022 0.000 0.966 258 D HN 0.448 nan 8.370 nan 0.000 0.476 259 V N 1.838 121.740 119.914 -0.020 0.000 2.287 259 V HA -0.231 3.880 4.120 -0.014 0.000 0.248 259 V C 2.638 178.739 176.094 0.013 0.000 1.053 259 V CA 1.187 63.488 62.300 0.001 0.000 1.027 259 V CB -0.508 31.318 31.823 0.004 0.000 0.646 259 V HN 0.176 nan 8.190 nan 0.000 0.447 260 L N -0.108 121.101 121.223 -0.025 0.000 1.990 260 L HA -0.260 4.071 4.340 -0.014 0.000 0.213 260 L C 2.381 179.243 176.870 -0.014 0.000 1.072 260 L CA 2.282 57.094 54.840 -0.047 0.000 0.755 260 L CB -0.553 41.432 42.059 -0.123 0.000 0.889 260 L HN 0.351 nan 8.230 nan 0.000 0.432 261 D N 0.027 120.401 120.400 -0.044 0.000 2.123 261 D HA -0.189 4.443 4.640 -0.014 0.000 0.196 261 D C 2.193 178.444 176.300 -0.082 0.000 0.992 261 D CA 1.526 55.484 54.000 -0.071 0.000 0.833 261 D CB -0.230 40.522 40.800 -0.079 0.000 0.954 261 D HN 0.537 nan 8.370 nan 0.000 0.455 262 A N 0.982 123.776 122.820 -0.044 0.000 1.883 262 A HA -0.196 4.115 4.320 -0.014 0.000 0.217 262 A C 2.185 179.764 177.584 -0.008 0.000 1.186 262 A CA 1.408 53.422 52.037 -0.039 0.000 0.624 262 A CB -0.417 18.574 19.000 -0.015 0.000 0.822 262 A HN 0.142 nan 8.150 nan 0.000 0.444 263 R N -1.302 119.238 120.500 0.067 0.000 2.115 263 R HA 0.002 4.334 4.340 -0.014 0.000 0.226 263 R C 2.103 178.501 176.300 0.165 0.000 1.100 263 R CA 1.084 57.261 56.100 0.128 0.000 0.980 263 R CB -0.486 29.986 30.300 0.287 0.000 0.875 263 R HN 0.491 nan 8.270 nan 0.000 0.445 264 L N 1.300 122.635 121.223 0.186 0.000 1.994 264 L HA -0.125 4.207 4.340 -0.014 0.000 0.208 264 L C 1.980 178.863 176.870 0.022 0.000 1.071 264 L CA 1.722 56.663 54.840 0.167 0.000 0.745 264 L CB -0.279 41.837 42.059 0.095 0.000 0.892 264 L HN 0.080 nan 8.230 nan 0.000 0.431 265 I N -0.270 120.169 120.570 -0.217 0.000 2.361 265 I HA -0.240 3.921 4.170 -0.014 0.000 0.251 265 I C 2.428 178.496 176.117 -0.082 0.000 1.133 265 I CA 1.046 62.084 61.300 -0.437 0.000 1.413 265 I CB -0.562 37.072 38.000 -0.609 0.000 1.073 265 I HN 0.372 nan 8.210 nan 0.000 0.424 266 A N 0.312 123.121 122.820 -0.019 0.000 2.172 266 A HA 0.116 4.427 4.320 -0.014 0.000 0.216 266 A C 1.959 179.608 177.584 0.109 0.000 1.154 266 A CA 1.111 53.169 52.037 0.035 0.000 0.701 266 A CB -0.704 18.299 19.000 0.004 0.000 0.789 266 A HN 0.597 nan 8.150 nan 0.000 0.465 267 G N -1.109 107.805 108.800 0.190 0.000 2.141 267 G HA2 -0.258 3.693 3.960 -0.014 0.000 0.231 267 G HA3 -0.258 3.693 3.960 -0.014 0.000 0.231 267 G C 0.492 175.495 174.900 0.172 0.000 0.984 267 G CA 0.606 45.939 45.100 0.389 0.000 0.660 267 G HN 0.571 nan 8.290 nan 0.000 0.525 268 E N -1.133 119.041 120.200 -0.043 0.000 2.274 268 E HA 0.204 4.546 4.350 -0.014 0.000 0.194 268 E C 0.367 176.577 176.600 -0.650 0.000 0.996 268 E CA 0.540 56.718 56.400 -0.370 0.000 0.840 268 E CB 0.103 29.485 29.700 -0.530 0.000 0.772 268 E HN 0.605 nan 8.360 nan 0.000 0.491 269 F N -0.453 119.574 119.950 0.129 0.000 2.577 269 F HA 0.220 4.737 4.527 -0.017 0.000 0.318 269 F C 0.876 176.784 175.800 0.181 0.000 1.065 269 F CA -1.109 56.963 58.000 0.121 0.000 0.929 269 F CB 1.542 40.579 39.000 0.061 0.000 1.237 269 F HN -0.281 nan 8.300 nan 0.000 0.468 270 D N 0.754 121.363 120.400 0.349 0.000 2.149 270 D HA 0.119 4.750 4.640 -0.014 0.000 0.206 270 D C 0.312 176.663 176.300 0.085 0.000 0.967 270 D CA 1.637 55.770 54.000 0.222 0.000 0.848 270 D CB 0.598 41.525 40.800 0.212 0.000 0.998 270 D HN 0.011 nan 8.370 nan 0.000 0.474 271 I N 0.593 121.229 120.570 0.110 0.000 2.752 271 I HA 0.095 4.257 4.170 -0.014 0.000 0.295 271 I C -0.554 175.587 176.117 0.041 0.000 1.219 271 I CA -0.860 60.481 61.300 0.069 0.000 1.030 271 I CB 1.993 40.002 38.000 0.015 0.000 1.259 271 I HN -0.207 nan 8.210 nan 0.000 0.423 272 N N 4.507 123.222 118.700 0.025 0.000 2.402 272 N HA 0.074 4.805 4.740 -0.014 0.000 0.252 272 N C 0.660 176.089 175.510 -0.135 0.000 1.118 272 N CA -0.158 52.840 53.050 -0.086 0.000 0.945 272 N CB 0.703 39.144 38.487 -0.077 0.000 1.147 272 N HN 0.637 nan 8.380 nan 0.000 0.495 273 L N 4.119 125.235 121.223 -0.178 0.000 2.046 273 L HA -0.020 4.311 4.340 -0.014 0.000 0.208 273 L C 1.936 178.636 176.870 -0.283 0.000 1.077 273 L CA 1.833 56.578 54.840 -0.160 0.000 0.747 273 L CB -0.599 41.399 42.059 -0.101 0.000 0.896 273 L HN 0.725 nan 8.230 nan 0.000 0.432 274 E N -0.227 119.600 120.200 -0.621 0.000 2.110 274 E HA -0.129 4.212 4.350 -0.014 0.000 0.193 274 E C 1.345 177.667 176.600 -0.462 0.000 0.988 274 E CA 0.894 56.666 56.400 -1.047 0.000 0.804 274 E CB -0.294 28.735 29.700 -1.118 0.000 0.745 274 E HN 0.661 nan 8.360 nan 0.000 0.458 275 G N 1.135 109.762 108.800 -0.288 0.000 2.198 275 G HA2 -0.324 3.628 3.960 -0.014 0.000 0.260 275 G HA3 -0.324 3.628 3.960 -0.014 0.000 0.260 275 G C 0.567 175.447 174.900 -0.034 0.000 1.025 275 G CA 0.526 45.539 45.100 -0.144 0.000 0.769 275 G HN 0.303 nan 8.290 nan 0.000 0.507 276 R N 0.176 120.604 120.500 -0.121 0.000 2.323 276 R HA 0.367 4.699 4.340 -0.014 0.000 0.198 276 R C 1.588 177.826 176.300 -0.104 0.000 0.988 276 R CA 0.729 56.755 56.100 -0.123 0.000 1.041 276 R CB -0.048 30.152 30.300 -0.167 0.000 0.926 276 R HN 1.581 nan 8.270 nan 0.000 0.476 277 G N 0.901 109.671 108.800 -0.050 0.000 2.707 277 G HA2 -0.229 3.723 3.960 -0.014 0.000 0.686 277 G HA3 -0.229 3.723 3.960 -0.014 0.000 0.686 277 G C -0.512 174.355 174.900 -0.055 0.000 1.315 277 G CA -1.068 43.981 45.100 -0.085 0.000 0.832 277 G HN 0.091 nan 8.290 nan 0.000 0.573 278 L N 1.352 122.551 121.223 -0.039 0.000 2.490 278 L HA 0.180 4.512 4.340 -0.014 0.000 0.274 278 L C 1.371 178.217 176.870 -0.041 0.000 1.201 278 L CA -0.474 54.349 54.840 -0.029 0.000 0.869 278 L CB 0.451 42.508 42.059 -0.003 0.000 1.123 278 L HN 0.562 nan 8.230 nan 0.000 0.484 279 Q N 1.475 121.254 119.800 -0.035 0.000 2.414 279 Q HA -0.006 4.325 4.340 -0.014 0.000 0.206 279 Q C 1.123 177.136 176.000 0.022 0.000 1.058 279 Q CA -0.250 55.547 55.803 -0.011 0.000 1.025 279 Q CB 0.363 29.093 28.738 -0.013 0.000 1.196 279 Q HN 0.540 nan 8.270 nan 0.000 0.586 280 H N 0.588 119.635 119.070 -0.037 0.000 2.319 280 H HA -0.169 4.379 4.556 -0.013 0.000 0.297 280 H C 1.518 176.834 175.328 -0.018 0.000 1.097 280 H CA 2.190 58.223 56.048 -0.024 0.000 1.285 280 H CB 0.229 29.976 29.762 -0.025 0.000 1.368 280 H HN 0.640 nan 8.280 nan 0.000 0.495 281 A N 1.078 123.984 122.820 0.144 0.000 1.883 281 A HA -0.102 4.210 4.320 -0.014 0.000 0.217 281 A C 2.734 180.310 177.584 -0.015 0.000 1.186 281 A CA 2.220 54.305 52.037 0.081 0.000 0.624 281 A CB -1.141 17.898 19.000 0.065 0.000 0.822 281 A HN 0.584 nan 8.150 nan 0.000 0.444 282 A N -1.134 121.668 122.820 -0.029 0.000 1.968 282 A HA -0.111 4.201 4.320 -0.014 0.000 0.217 282 A C 2.083 179.643 177.584 -0.041 0.000 1.169 282 A CA 1.390 53.396 52.037 -0.052 0.000 0.638 282 A CB -0.470 18.484 19.000 -0.077 0.000 0.812 282 A HN 0.655 nan 8.150 nan 0.000 0.446 283 Q N -0.597 119.169 119.800 -0.056 0.000 2.061 283 Q HA -0.193 4.139 4.340 -0.014 0.000 0.204 283 Q C 2.312 178.272 176.000 -0.068 0.000 0.984 283 Q CA 1.405 57.177 55.803 -0.051 0.000 0.846 283 Q CB -0.191 28.485 28.738 -0.105 0.000 0.902 283 Q HN 0.430 nan 8.270 nan 0.000 0.421 284 R N 0.454 120.864 120.500 -0.150 0.000 2.073 284 R HA -0.109 4.222 4.340 -0.014 0.000 0.234 284 R C 2.138 178.410 176.300 -0.046 0.000 1.134 284 R CA 1.304 57.330 56.100 -0.124 0.000 0.952 284 R CB -0.678 29.530 30.300 -0.154 0.000 0.850 284 R HN 0.282 nan 8.270 nan 0.000 0.433 285 R N 0.389 120.871 120.500 -0.030 0.000 2.070 285 R HA -0.079 4.253 4.340 -0.014 0.000 0.233 285 R C 2.113 178.432 176.300 0.031 0.000 1.137 285 R CA 1.677 57.775 56.100 -0.004 0.000 0.945 285 R CB -0.233 30.058 30.300 -0.015 0.000 0.845 285 R HN 0.217 nan 8.270 nan 0.000 0.430 286 A N 0.096 122.950 122.820 0.058 0.000 1.873 286 A HA -0.141 4.171 4.320 -0.014 0.000 0.215 286 A C 2.179 179.857 177.584 0.156 0.000 1.186 286 A CA 1.980 54.109 52.037 0.154 0.000 0.616 286 A CB -0.942 18.196 19.000 0.230 0.000 0.823 286 A HN 0.644 nan 8.150 nan 0.000 0.442 287 T N -2.923 111.695 114.554 0.107 0.000 3.035 287 T HA 0.299 4.640 4.350 -0.014 0.000 0.268 287 T C 1.568 176.234 174.700 -0.057 0.000 1.109 287 T CA 1.238 63.358 62.100 0.034 0.000 1.119 287 T CB -0.083 68.797 68.868 0.019 0.000 0.900 287 T HN 0.478 nan 8.240 nan 0.000 0.503 288 A N 0.896 123.704 122.820 -0.020 0.000 2.095 288 A HA 0.311 4.623 4.320 -0.014 0.000 0.212 288 A C 0.845 178.418 177.584 -0.017 0.000 1.162 288 A CA 0.149 52.166 52.037 -0.033 0.000 0.753 288 A CB -0.158 18.828 19.000 -0.023 0.000 0.840 288 A HN 0.563 nan 8.150 nan 0.000 0.468 289 D N -1.144 119.266 120.400 0.017 0.000 2.233 289 D HA 0.384 5.015 4.640 -0.014 0.000 0.240 289 D C 0.843 177.166 176.300 0.039 0.000 1.074 289 D CA -0.274 53.747 54.000 0.036 0.000 0.838 289 D CB 1.278 42.118 40.800 0.068 0.000 1.124 289 D HN 0.075 nan 8.370 nan 0.000 0.475 290 E N 2.338 122.548 120.200 0.017 0.000 2.118 290 E HA -0.139 4.203 4.350 -0.014 0.000 0.195 290 E C 1.588 178.203 176.600 0.025 0.000 0.992 290 E CA 1.113 57.515 56.400 0.004 0.000 0.804 290 E CB -0.042 29.653 29.700 -0.008 0.000 0.741 290 E HN 0.449 nan 8.360 nan 0.000 0.458 291 V N 0.370 120.316 119.914 0.054 0.000 2.323 291 V HA -0.211 3.900 4.120 -0.014 0.000 0.244 291 V C 2.404 178.575 176.094 0.129 0.000 1.041 291 V CA 1.539 63.881 62.300 0.069 0.000 1.025 291 V CB -0.453 31.447 31.823 0.128 0.000 0.656 291 V HN 0.297 nan 8.190 nan 0.000 0.451 292 L N -0.568 120.792 121.223 0.229 0.000 2.083 292 L HA -0.165 4.166 4.340 -0.014 0.000 0.209 292 L C 2.783 179.849 176.870 0.327 0.000 1.083 292 L CA 1.513 56.586 54.840 0.389 0.000 0.752 292 L CB -0.633 41.627 42.059 0.335 0.000 0.899 292 L HN 0.249 nan 8.230 nan 0.000 0.433 293 R N 0.080 120.716 120.500 0.228 0.000 2.117 293 R HA -0.177 4.154 4.340 -0.014 0.000 0.243 293 R C 2.519 178.982 176.300 0.271 0.000 1.143 293 R CA 1.763 58.053 56.100 0.317 0.000 0.968 293 R CB -0.461 29.916 30.300 0.128 0.000 0.863 293 R HN 0.475 nan 8.270 nan 0.000 0.444 294 S N -0.500 115.212 115.700 0.021 0.000 2.474 294 S HA -0.121 4.340 4.470 -0.014 0.000 0.235 294 S C 0.988 175.399 174.600 -0.314 0.000 0.997 294 S CA 0.938 59.045 58.200 -0.154 0.000 0.949 294 S CB -0.214 62.815 63.200 -0.285 0.000 0.766 294 S HN 0.500 nan 8.310 nan 0.000 0.517 295 H N 0.374 119.404 119.070 -0.067 0.000 2.542 295 H HA 0.378 4.924 4.556 -0.016 0.000 0.283 295 H C -0.381 174.718 175.328 -0.383 0.000 1.059 295 H CA -0.020 55.813 56.048 -0.359 0.000 1.162 295 H CB 0.631 29.966 29.762 -0.710 0.000 1.539 295 H HN 0.273 nan 8.280 nan 0.000 0.543 296 T N 0.940 115.475 114.554 -0.032 0.000 2.863 296 T HA 0.240 4.581 4.350 -0.014 0.000 0.285 296 T C -0.641 173.878 174.700 -0.302 0.000 1.009 296 T CA -0.956 61.119 62.100 -0.041 0.000 0.989 296 T CB 2.154 71.127 68.868 0.174 0.000 1.004 296 T HN 0.128 nan 8.240 nan 0.000 0.455 297 D N 2.143 122.381 120.400 -0.271 0.000 2.350 297 D HA 0.320 4.952 4.640 -0.014 0.000 0.245 297 D C -0.336 175.678 176.300 -0.477 0.000 1.036 297 D CA -0.534 53.238 54.000 -0.380 0.000 0.848 297 D CB 1.885 42.653 40.800 -0.052 0.000 1.307 297 D HN 0.391 nan 8.370 nan 0.000 0.469 298 N N 1.872 120.237 118.700 -0.558 0.000 2.757 298 N HA 0.218 4.949 4.740 -0.014 0.000 0.296 298 N C -2.745 172.628 175.510 -0.228 0.000 1.874 298 N CA -1.577 51.235 53.050 -0.396 0.000 0.885 298 N CB 0.794 39.053 38.487 -0.381 0.000 1.242 298 N HN 0.103 nan 8.380 nan 0.000 0.488 299 P HA 0.219 nan 4.420 nan 0.000 0.276 299 P C -0.328 176.925 177.300 -0.078 0.000 1.252 299 P CA -0.390 62.647 63.100 -0.105 0.000 0.802 299 P CB 1.014 32.681 31.700 -0.055 0.000 1.035 300 R N 0.635 121.113 120.500 -0.037 0.000 2.623 300 R HA 0.098 4.429 4.340 -0.014 0.000 0.271 300 R C 1.397 177.705 176.300 0.013 0.000 1.043 300 R CA 0.426 56.521 56.100 -0.008 0.000 1.083 300 R CB -0.586 29.696 30.300 -0.030 0.000 0.974 300 R HN 0.572 nan 8.270 nan 0.000 0.436 301 T N -2.461 112.132 114.554 0.066 0.000 3.081 301 T HA 0.000 4.342 4.350 -0.014 0.000 0.250 301 T C 0.786 175.610 174.700 0.207 0.000 1.100 301 T CA 0.231 62.422 62.100 0.151 0.000 1.038 301 T CB 0.127 69.105 68.868 0.183 0.000 0.962 301 T HN 0.549 nan 8.240 nan 0.000 0.516 302 S N -0.341 115.418 115.700 0.098 0.000 2.929 302 S HA -0.139 4.322 4.470 -0.014 0.000 0.271 302 S C -0.074 174.559 174.600 0.054 0.000 1.295 302 S CA 0.340 58.527 58.200 -0.022 0.000 1.277 302 S CB -2.113 61.007 63.200 -0.133 0.000 1.557 302 S HN 0.647 nan 8.310 nan 0.000 0.666 303 F N 1.021 121.014 119.950 0.071 0.000 2.429 303 F HA 0.570 5.087 4.527 -0.017 0.000 0.348 303 F C 0.306 176.318 175.800 0.353 0.000 1.109 303 F CA -0.585 57.510 58.000 0.158 0.000 1.232 303 F CB 0.641 39.701 39.000 0.101 0.000 1.157 303 F HN 0.192 nan 8.300 nan 0.000 0.564 304 L N 3.611 125.216 121.223 0.637 0.000 2.322 304 L HA 0.432 4.764 4.340 -0.014 0.000 0.281 304 L C -1.125 176.144 176.870 0.666 0.000 1.014 304 L CA -0.482 54.747 54.840 0.648 0.000 0.815 304 L CB 0.898 43.396 42.059 0.731 0.000 1.247 304 L HN 0.536 nan 8.230 nan 0.000 0.421 305 H N 4.831 124.117 119.070 0.360 0.000 2.488 305 H HA 0.654 5.202 4.556 -0.014 0.000 0.322 305 H C -1.226 174.257 175.328 0.259 0.000 1.078 305 H CA -0.502 55.683 56.048 0.228 0.000 1.260 305 H CB 0.757 30.582 29.762 0.106 0.000 1.425 305 H HN 0.545 nan 8.280 nan 0.000 0.471 306 F N 1.997 121.804 119.950 -0.239 0.000 2.711 306 F HA 0.645 5.162 4.527 -0.015 0.000 0.313 306 F C -2.007 173.624 175.800 -0.283 0.000 1.141 306 F CA -1.182 56.683 58.000 -0.224 0.000 0.941 306 F CB 0.620 39.586 39.000 -0.057 0.000 1.349 306 F HN 0.205 nan 8.300 nan 0.000 0.464 307 V N 1.938 121.840 119.914 -0.020 0.000 2.495 307 V HA 0.811 4.922 4.120 -0.014 0.000 0.298 307 V C -0.142 176.006 176.094 0.091 0.000 1.031 307 V CA -0.528 61.710 62.300 -0.104 0.000 0.871 307 V CB 1.182 32.939 31.823 -0.111 0.000 0.988 307 V HN 1.144 nan 8.190 nan 0.000 0.432 308 A N 6.281 129.118 122.820 0.029 0.000 2.312 308 A HA 0.913 5.224 4.320 -0.014 0.000 0.326 308 A C -0.493 177.037 177.584 -0.089 0.000 1.172 308 A CA -0.571 51.510 52.037 0.074 0.000 0.821 308 A CB 0.957 20.037 19.000 0.133 0.000 1.166 308 A HN 0.813 nan 8.150 nan 0.000 0.493 309 M N 1.378 120.918 119.600 -0.101 0.000 2.383 309 M HA 0.350 4.821 4.480 -0.014 0.000 0.325 309 M C -1.084 175.101 176.300 -0.190 0.000 1.092 309 M CA -0.565 54.594 55.300 -0.235 0.000 0.961 309 M CB 2.175 34.700 32.600 -0.125 0.000 1.672 309 M HN 0.684 nan 8.290 nan 0.000 0.438 310 Q N 3.169 122.775 119.800 -0.323 0.000 2.425 310 Q HA 0.318 4.650 4.340 -0.014 0.000 0.254 310 Q C -2.004 173.791 176.000 -0.343 0.000 1.032 310 Q CA -1.725 53.819 55.803 -0.432 0.000 0.798 310 Q CB 1.135 29.431 28.738 -0.736 0.000 1.210 310 Q HN 0.254 nan 8.270 nan 0.000 0.491 311 P HA -0.207 nan 4.420 nan 0.000 0.219 311 P C 0.545 177.848 177.300 0.005 0.000 1.146 311 P CA 1.245 64.343 63.100 -0.003 0.000 0.808 311 P CB 0.162 31.893 31.700 0.052 0.000 0.779 312 H N -1.726 117.357 119.070 0.020 0.000 2.561 312 H HA 0.020 4.567 4.556 -0.014 0.000 0.278 312 H C 0.383 175.731 175.328 0.032 0.000 1.014 312 H CA 0.523 56.580 56.048 0.015 0.000 1.211 312 H CB -0.529 29.231 29.762 -0.003 0.000 1.365 312 H HN 0.126 nan 8.280 nan 0.000 0.594 313 I N 3.112 123.617 120.570 -0.108 0.000 2.428 313 I HA 0.295 4.457 4.170 -0.014 0.000 0.279 313 I C -2.624 173.557 176.117 0.106 0.000 1.040 313 I CA -2.828 58.477 61.300 0.007 0.000 1.171 313 I CB 1.045 39.025 38.000 -0.033 0.000 1.312 313 I HN -0.194 nan 8.210 nan 0.000 0.470 314 P HA 0.055 nan 4.420 nan 0.000 0.265 314 P C -1.846 175.390 177.300 -0.106 0.000 1.187 314 P CA -0.454 62.617 63.100 -0.048 0.000 0.766 314 P CB 0.089 31.758 31.700 -0.051 0.000 0.820 315 P HA 0.149 nan 4.420 nan 0.000 0.254 315 P C 0.267 177.219 177.300 -0.579 0.000 1.494 315 P CA 0.128 62.890 63.100 -0.563 0.000 0.961 315 P CB -0.139 31.023 31.700 -0.896 0.000 1.493 316 F N 1.701 121.522 119.950 -0.214 0.000 2.802 316 F HA -0.062 4.457 4.527 -0.014 0.000 0.300 316 F C 2.017 177.746 175.800 -0.117 0.000 1.168 316 F CA 0.676 58.584 58.000 -0.153 0.000 1.433 316 F CB -0.492 38.433 39.000 -0.125 0.000 1.115 316 F HN 0.033 nan 8.300 nan 0.000 0.582 317 D N -0.637 119.763 120.400 -0.000 0.000 2.264 317 D HA -0.173 4.459 4.640 -0.014 0.000 0.208 317 D C 0.504 176.790 176.300 -0.023 0.000 0.966 317 D CA 0.482 54.481 54.000 -0.002 0.000 0.864 317 D CB -0.558 40.236 40.800 -0.010 0.000 0.933 317 D HN 0.228 nan 8.370 nan 0.000 0.499 318 N N 1.194 119.851 118.700 -0.072 0.000 2.422 318 N HA 0.001 4.732 4.740 -0.014 0.000 0.264 318 N C 1.000 176.465 175.510 -0.074 0.000 1.063 318 N CA -0.195 52.817 53.050 -0.064 0.000 0.959 318 N CB 2.255 40.691 38.487 -0.085 0.000 1.087 318 N HN -0.138 nan 8.380 nan 0.000 0.483 319 V N 4.977 124.821 119.914 -0.116 0.000 2.469 319 V HA -0.247 3.864 4.120 -0.014 0.000 0.251 319 V C 1.330 177.267 176.094 -0.262 0.000 1.064 319 V CA 1.995 64.175 62.300 -0.199 0.000 1.066 319 V CB -0.627 31.033 31.823 -0.271 0.000 0.667 319 V HN 0.718 nan 8.190 nan 0.000 0.461 320 H N -1.437 117.623 119.070 -0.017 0.000 2.395 320 H HA -0.043 4.504 4.556 -0.014 0.000 0.299 320 H C 2.217 177.537 175.328 -0.014 0.000 1.070 320 H CA 1.515 57.559 56.048 -0.007 0.000 1.356 320 H CB -0.185 29.579 29.762 0.004 0.000 1.401 320 H HN 0.342 nan 8.280 nan 0.000 0.524 321 V N 1.094 121.023 119.914 0.026 0.000 2.282 321 V HA -0.306 3.805 4.120 -0.014 0.000 0.249 321 V C 2.262 178.381 176.094 0.041 0.000 1.057 321 V CA 2.005 64.282 62.300 -0.037 0.000 1.032 321 V CB -0.350 31.265 31.823 -0.346 0.000 0.645 321 V HN 0.424 nan 8.190 nan 0.000 0.447 322 R N -0.390 120.123 120.500 0.020 0.000 2.075 322 R HA -0.099 4.233 4.340 -0.014 0.000 0.232 322 R C 2.507 178.740 176.300 -0.111 0.000 1.126 322 R CA 1.349 57.475 56.100 0.044 0.000 0.963 322 R CB -0.375 29.940 30.300 0.026 0.000 0.858 322 R HN 0.488 nan 8.270 nan 0.000 0.435 323 R N 0.510 120.886 120.500 -0.207 0.000 2.096 323 R HA -0.052 4.279 4.340 -0.014 0.000 0.235 323 R C 2.374 178.589 176.300 -0.141 0.000 1.127 323 R CA 1.218 57.057 56.100 -0.434 0.000 0.968 323 R CB -0.384 29.732 30.300 -0.307 0.000 0.861 323 R HN 0.203 nan 8.270 nan 0.000 0.440 324 A N 0.880 123.744 122.820 0.073 0.000 1.883 324 A HA -0.149 4.162 4.320 -0.014 0.000 0.217 324 A C 2.372 180.028 177.584 0.119 0.000 1.186 324 A CA 1.609 53.745 52.037 0.164 0.000 0.624 324 A CB -0.647 18.448 19.000 0.158 0.000 0.822 324 A HN 0.120 nan 8.150 nan 0.000 0.444 325 V N 0.284 120.251 119.914 0.089 0.000 2.295 325 V HA -0.309 3.802 4.120 -0.014 0.000 0.246 325 V C 2.742 178.844 176.094 0.014 0.000 1.049 325 V CA 2.163 64.513 62.300 0.084 0.000 1.024 325 V CB -0.871 31.045 31.823 0.154 0.000 0.648 325 V HN 0.608 nan 8.190 nan 0.000 0.447 326 Q N -0.985 118.752 119.800 -0.105 0.000 2.061 326 Q HA -0.230 4.101 4.340 -0.014 0.000 0.204 326 Q C 2.200 178.156 176.000 -0.073 0.000 0.984 326 Q CA 2.139 57.844 55.803 -0.163 0.000 0.846 326 Q CB -0.464 28.012 28.738 -0.437 0.000 0.902 326 Q HN 0.725 nan 8.270 nan 0.000 0.421 327 Y N 0.419 120.718 120.300 -0.002 0.000 2.224 327 Y HA -0.159 4.383 4.550 -0.014 0.000 0.289 327 Y C 2.296 178.219 175.900 0.037 0.000 1.146 327 Y CA 0.793 58.922 58.100 0.049 0.000 1.182 327 Y CB -0.014 38.473 38.460 0.045 0.000 0.983 327 Y HN 0.141 nan 8.280 nan 0.000 0.524 328 A N 0.005 122.930 122.820 0.176 0.000 2.251 328 A HA 0.437 4.748 4.320 -0.014 0.000 0.209 328 A C 1.077 178.703 177.584 0.069 0.000 1.187 328 A CA 0.291 52.390 52.037 0.104 0.000 0.823 328 A CB -0.695 18.349 19.000 0.073 0.000 0.846 328 A HN 0.201 nan 8.150 nan 0.000 0.486 329 A N 0.694 123.554 122.820 0.066 0.000 2.454 329 A HA 0.381 4.692 4.320 -0.014 0.000 0.260 329 A C -0.223 177.391 177.584 0.049 0.000 1.106 329 A CA -0.206 51.857 52.037 0.044 0.000 0.780 329 A CB 0.008 19.027 19.000 0.032 0.000 1.044 329 A HN 0.238 nan 8.150 nan 0.000 0.498 330 D N 2.849 123.272 120.400 0.038 0.000 2.422 330 D HA 0.135 4.767 4.640 -0.014 0.000 0.227 330 D C 0.805 177.127 176.300 0.037 0.000 1.190 330 D CA -0.249 53.774 54.000 0.038 0.000 0.905 330 D CB 0.596 41.414 40.800 0.030 0.000 1.034 330 D HN 0.380 nan 8.370 nan 0.000 0.507 331 K N 3.446 123.871 120.400 0.042 0.000 2.148 331 K HA -0.065 4.246 4.320 -0.014 0.000 0.204 331 K C 1.723 178.348 176.600 0.042 0.000 1.050 331 K CA 0.523 56.835 56.287 0.041 0.000 0.942 331 K CB 0.192 32.719 32.500 0.045 0.000 0.724 331 K HN 0.503 nan 8.250 nan 0.000 0.446 332 I N 0.947 121.541 120.570 0.040 0.000 2.163 332 I HA -0.220 3.941 4.170 -0.014 0.000 0.240 332 I C 2.427 178.567 176.117 0.037 0.000 1.081 332 I CA 0.764 62.087 61.300 0.039 0.000 1.353 332 I CB -1.140 36.880 38.000 0.034 0.000 1.054 332 I HN 0.045 nan 8.210 nan 0.000 0.407 333 L N 0.726 121.969 121.223 0.034 0.000 2.042 333 L HA -0.183 4.149 4.340 -0.014 0.000 0.210 333 L C 2.450 179.342 176.870 0.036 0.000 1.076 333 L CA 1.725 56.584 54.840 0.031 0.000 0.749 333 L CB -0.518 41.556 42.059 0.025 0.000 0.893 333 L HN 0.105 nan 8.230 nan 0.000 0.432 334 L N -1.071 120.175 121.223 0.039 0.000 2.056 334 L HA -0.235 4.097 4.340 -0.014 0.000 0.207 334 L C 2.654 179.566 176.870 0.069 0.000 1.078 334 L CA 1.701 56.570 54.840 0.047 0.000 0.749 334 L CB -0.553 41.526 42.059 0.034 0.000 0.901 334 L HN 0.451 nan 8.230 nan 0.000 0.433 335 Q N -0.011 119.828 119.800 0.065 0.000 2.079 335 Q HA -0.230 4.101 4.340 -0.014 0.000 0.200 335 Q C 1.672 177.709 176.000 0.061 0.000 0.974 335 Q CA 1.755 57.600 55.803 0.071 0.000 0.840 335 Q CB 0.097 28.872 28.738 0.062 0.000 0.898 335 Q HN 0.409 nan 8.270 nan 0.000 0.430 336 D N 0.304 120.734 120.400 0.051 0.000 2.149 336 D HA -0.146 4.486 4.640 -0.014 0.000 0.198 336 D C 1.678 178.005 176.300 0.045 0.000 0.990 336 D CA 1.393 55.419 54.000 0.044 0.000 0.839 336 D CB -0.268 40.553 40.800 0.036 0.000 0.948 336 D HN 0.428 nan 8.370 nan 0.000 0.460 337 A N 0.305 123.154 122.820 0.049 0.000 2.019 337 A HA -0.141 4.171 4.320 -0.014 0.000 0.219 337 A C 2.114 179.732 177.584 0.057 0.000 1.164 337 A CA 1.227 53.294 52.037 0.051 0.000 0.644 337 A CB -0.287 18.747 19.000 0.056 0.000 0.805 337 A HN 0.004 nan 8.150 nan 0.000 0.449 338 R N -1.084 119.455 120.500 0.065 0.000 2.310 338 R HA 0.209 4.540 4.340 -0.014 0.000 0.202 338 R C 1.021 177.341 176.300 0.033 0.000 0.933 338 R CA 0.854 56.981 56.100 0.046 0.000 1.054 338 R CB -0.298 30.045 30.300 0.073 0.000 0.985 338 R HN 0.765 nan 8.270 nan 0.000 0.489 339 G N -2.438 106.388 108.800 0.044 0.000 2.175 339 G HA2 -0.160 3.791 3.960 -0.014 0.000 0.182 339 G HA3 -0.160 3.791 3.960 -0.014 0.000 0.182 339 G C 0.548 175.476 174.900 0.047 0.000 1.003 339 G CA -0.181 44.948 45.100 0.048 0.000 0.666 339 G HN 0.424 nan 8.290 nan 0.000 0.506 340 G N 0.304 109.132 108.800 0.047 0.000 3.371 340 G HA2 0.528 4.479 3.960 -0.014 0.000 0.248 340 G HA3 0.528 4.479 3.960 -0.014 0.000 0.248 340 G C -0.279 174.646 174.900 0.041 0.000 1.161 340 G CA 0.413 45.541 45.100 0.046 0.000 0.796 340 G HN 0.408 nan 8.290 nan 0.000 0.539 341 P HA -0.109 nan 4.420 nan 0.000 0.214 341 P C 1.983 179.300 177.300 0.029 0.000 1.163 341 P CA 2.146 65.264 63.100 0.031 0.000 0.889 341 P CB 0.149 31.865 31.700 0.027 0.000 0.790 342 V N -6.295 113.635 119.914 0.028 0.000 3.539 342 V HA 0.335 4.447 4.120 -0.014 0.000 0.262 342 V C 0.494 176.612 176.094 0.041 0.000 1.381 342 V CA 0.417 62.733 62.300 0.027 0.000 1.060 342 V CB -0.669 31.160 31.823 0.010 0.000 0.842 342 V HN -0.095 nan 8.190 nan 0.000 0.445 343 N N 1.240 119.963 118.700 0.038 0.000 2.541 343 N HA 0.528 5.259 4.740 -0.014 0.000 0.297 343 N C 0.713 176.245 175.510 0.037 0.000 1.503 343 N CA 0.474 53.548 53.050 0.040 0.000 0.919 343 N CB 1.132 39.634 38.487 0.026 0.000 1.305 343 N HN 0.523 nan 8.380 nan 0.000 0.501 344 G N 0.088 108.915 108.800 0.045 0.000 4.098 344 G HA2 0.518 4.470 3.960 -0.014 0.000 0.300 344 G HA3 0.518 4.470 3.960 -0.014 0.000 0.300 344 G C 0.803 175.738 174.900 0.058 0.000 1.187 344 G CA -0.037 45.092 45.100 0.048 0.000 0.964 344 G HN 0.436 nan 8.290 nan 0.000 0.559 345 G N 0.306 109.140 108.800 0.056 0.000 2.645 345 G HA2 -0.235 3.716 3.960 -0.014 0.000 0.246 345 G HA3 -0.235 3.716 3.960 -0.014 0.000 0.246 345 G C -0.812 174.140 174.900 0.087 0.000 1.322 345 G CA -0.088 45.057 45.100 0.075 0.000 0.898 345 G HN 0.395 nan 8.290 nan 0.000 0.573 346 D N 0.313 120.780 120.400 0.112 0.000 2.425 346 D HA 0.472 5.104 4.640 -0.014 0.000 0.240 346 D C 0.867 177.230 176.300 0.104 0.000 1.080 346 D CA -0.431 53.637 54.000 0.113 0.000 0.836 346 D CB 1.043 41.926 40.800 0.138 0.000 1.125 346 D HN 0.450 nan 8.370 nan 0.000 0.525 347 L N 2.247 123.519 121.223 0.082 0.000 2.543 347 L HA 0.025 4.356 4.340 -0.014 0.000 0.285 347 L C 0.875 177.779 176.870 0.058 0.000 1.236 347 L CA 0.872 55.749 54.840 0.061 0.000 0.871 347 L CB 0.740 42.834 42.059 0.059 0.000 1.121 347 L HN 0.284 nan 8.230 nan 0.000 0.501 348 T N 0.165 114.723 114.554 0.007 0.000 2.933 348 T HA 0.359 4.701 4.350 -0.014 0.000 0.305 348 T C 0.404 175.101 174.700 -0.005 0.000 1.092 348 T CA -0.126 61.973 62.100 -0.003 0.000 1.008 348 T CB 1.446 70.209 68.868 -0.175 0.000 1.102 348 T HN 0.729 nan 8.240 nan 0.000 0.469 349 T N 0.722 115.287 114.554 0.018 0.000 3.054 349 T HA 0.697 5.038 4.350 -0.014 0.000 0.255 349 T C 0.579 175.274 174.700 -0.008 0.000 1.035 349 T CA 0.239 62.343 62.100 0.007 0.000 0.941 349 T CB 0.245 69.116 68.868 0.006 0.000 1.026 349 T HN 0.764 nan 8.240 nan 0.000 0.533 350 A N 0.241 123.063 122.820 0.004 0.000 2.475 350 A HA 0.859 5.170 4.320 -0.014 0.000 0.281 350 A C 0.432 178.024 177.584 0.013 0.000 1.263 350 A CA -0.826 51.206 52.037 -0.009 0.000 0.776 350 A CB 0.555 19.548 19.000 -0.011 0.000 1.347 350 A HN 0.206 nan 8.150 nan 0.000 0.443 351 L N -1.066 120.138 121.223 -0.031 0.000 2.262 351 L HA 0.265 4.596 4.340 -0.014 0.000 0.197 351 L C 0.232 177.170 176.870 0.114 0.000 1.073 351 L CA 0.249 55.101 54.840 0.021 0.000 0.800 351 L CB -0.380 41.594 42.059 -0.142 0.000 0.987 351 L HN 0.604 nan 8.230 nan 0.000 0.470 352 F N 1.948 121.907 119.950 0.014 0.000 2.608 352 F HA 0.061 4.579 4.527 -0.014 0.000 0.380 352 F C -1.769 173.818 175.800 -0.355 0.000 1.083 352 F CA -2.090 55.700 58.000 -0.350 0.000 1.266 352 F CB -0.231 38.673 39.000 -0.160 0.000 1.076 352 F HN -0.164 nan 8.300 nan 0.000 0.574 353 P HA -0.014 nan 4.420 nan 0.000 0.269 353 P C -1.956 174.990 177.300 -0.591 0.000 1.215 353 P CA -1.151 61.442 63.100 -0.845 0.000 0.780 353 P CB 0.119 31.381 31.700 -0.730 0.000 0.898 354 P HA -0.100 nan 4.420 nan 0.000 0.239 354 P C 0.903 177.944 177.300 -0.431 0.000 1.184 354 P CA 1.145 63.709 63.100 -0.894 0.000 0.760 354 P CB -0.560 30.661 31.700 -0.799 0.000 0.884 355 T N -2.981 111.364 114.554 -0.349 0.000 3.035 355 T HA 0.053 4.394 4.350 -0.014 0.000 0.268 355 T C 0.924 175.494 174.700 -0.217 0.000 1.109 355 T CA 0.269 62.229 62.100 -0.233 0.000 1.119 355 T CB -0.525 68.220 68.868 -0.205 0.000 0.900 355 T HN 0.025 nan 8.240 nan 0.000 0.503 356 L N 1.495 122.551 121.223 -0.278 0.000 2.307 356 L HA 0.344 4.675 4.340 -0.014 0.000 0.282 356 L C -1.460 175.268 176.870 -0.236 0.000 1.051 356 L CA -2.584 52.072 54.840 -0.306 0.000 0.804 356 L CB 1.516 43.274 42.059 -0.502 0.000 1.197 356 L HN -0.150 nan 8.230 nan 0.000 0.431 357 P HA -0.218 nan 4.420 nan 0.000 0.217 357 P C 1.121 178.347 177.300 -0.122 0.000 1.151 357 P CA 1.356 64.384 63.100 -0.120 0.000 0.849 357 P CB 0.270 31.916 31.700 -0.090 0.000 0.787 358 A N -1.638 121.014 122.820 -0.279 0.000 2.206 358 A HA -0.094 4.217 4.320 -0.014 0.000 0.211 358 A C 0.940 178.482 177.584 -0.070 0.000 1.158 358 A CA 0.122 52.023 52.037 -0.227 0.000 0.761 358 A CB -1.603 17.131 19.000 -0.444 0.000 0.801 358 A HN 0.233 nan 8.150 nan 0.000 0.473 359 H N 1.431 120.406 119.070 -0.159 0.000 3.140 359 H HA 0.234 4.783 4.556 -0.011 0.000 0.316 359 H C 0.294 175.658 175.328 0.060 0.000 0.986 359 H CA 1.553 57.614 56.048 0.021 0.000 1.397 359 H CB 0.143 29.875 29.762 -0.050 0.000 1.377 359 H HN 0.637 nan 8.280 nan 0.000 0.585 360 Q N 2.595 122.131 119.800 -0.440 0.000 2.511 360 Q HA 0.314 4.645 4.340 -0.014 0.000 0.289 360 Q C -1.449 174.367 176.000 -0.308 0.000 1.021 360 Q CA -1.298 54.342 55.803 -0.271 0.000 0.785 360 Q CB 1.337 30.041 28.738 -0.057 0.000 1.472 360 Q HN 0.477 nan 8.270 nan 0.000 0.411 361 D N 1.526 121.828 120.400 -0.164 0.000 2.358 361 D HA 0.391 5.022 4.640 -0.014 0.000 0.258 361 D C -1.082 175.172 176.300 -0.075 0.000 1.223 361 D CA 0.232 54.172 54.000 -0.100 0.000 0.886 361 D CB 0.826 41.594 40.800 -0.052 0.000 1.120 361 D HN 0.412 nan 8.370 nan 0.000 0.482 362 L N 3.074 124.254 121.223 -0.072 0.000 2.596 362 L HA 0.320 4.652 4.340 -0.014 0.000 0.265 362 L C -1.701 175.121 176.870 -0.080 0.000 0.962 362 L CA -0.372 54.424 54.840 -0.074 0.000 0.891 362 L CB 2.011 44.029 42.059 -0.068 0.000 1.248 362 L HN 0.062 nan 8.230 nan 0.000 0.410 363 D N 4.234 124.575 120.400 -0.098 0.000 2.429 363 D HA 0.283 4.914 4.640 -0.014 0.000 0.255 363 D C 0.632 176.817 176.300 -0.191 0.000 1.257 363 D CA -0.216 53.721 54.000 -0.106 0.000 0.890 363 D CB 0.571 41.346 40.800 -0.042 0.000 1.267 363 D HN 0.560 nan 8.370 nan 0.000 0.521 364 L N 1.097 122.085 121.223 -0.393 0.000 2.217 364 L HA 0.029 4.360 4.340 -0.014 0.000 0.211 364 L C 0.250 176.643 176.870 -0.796 0.000 1.107 364 L CA 0.781 55.208 54.840 -0.690 0.000 0.783 364 L CB -0.128 41.285 42.059 -1.077 0.000 0.919 364 L HN 0.374 nan 8.230 nan 0.000 0.442 365 Y N -0.882 119.325 120.300 -0.156 0.000 2.658 365 Y HA 0.358 4.899 4.550 -0.014 0.000 0.362 365 Y C -2.321 173.522 175.900 -0.094 0.000 1.017 365 Y CA -2.628 55.239 58.100 -0.388 0.000 1.134 365 Y CB 0.049 38.040 38.460 -0.781 0.000 1.144 365 Y HN -0.070 nan 8.280 nan 0.000 0.655 366 P HA 0.024 nan 4.420 nan 0.000 0.269 366 P C 0.721 178.167 177.300 0.243 0.000 1.209 366 P CA 0.082 63.283 63.100 0.168 0.000 0.776 366 P CB 0.853 32.636 31.700 0.138 0.000 0.876 367 T N -0.824 113.826 114.554 0.161 0.000 3.264 367 T HA 0.524 4.865 4.350 -0.014 0.000 0.257 367 T C 0.642 175.409 174.700 0.111 0.000 0.976 367 T CA -0.070 62.123 62.100 0.156 0.000 0.908 367 T CB -1.169 67.767 68.868 0.114 0.000 1.082 367 T HN 0.778 nan 8.240 nan 0.000 0.567 368 G N 2.775 111.637 108.800 0.103 0.000 2.756 368 G HA2 -0.088 3.864 3.960 -0.014 0.000 0.678 368 G HA3 -0.088 3.864 3.960 -0.014 0.000 0.678 368 G C -1.877 173.055 174.900 0.054 0.000 1.349 368 G CA -0.450 44.691 45.100 0.068 0.000 0.847 368 G HN 0.150 nan 8.290 nan 0.000 0.548 369 P HA 0.017 nan 4.420 nan 0.000 0.220 369 P C 0.914 178.234 177.300 0.033 0.000 1.148 369 P CA 2.042 65.162 63.100 0.034 0.000 0.803 369 P CB -0.006 31.709 31.700 0.026 0.000 0.782 370 D N -0.854 119.567 120.400 0.034 0.000 2.395 370 D HA 0.018 4.649 4.640 -0.014 0.000 0.213 370 D C 1.013 177.336 176.300 0.038 0.000 1.110 370 D CA -0.437 53.582 54.000 0.032 0.000 0.835 370 D CB -0.741 40.075 40.800 0.027 0.000 0.965 370 D HN 0.089 nan 8.370 nan 0.000 0.505 371 L N -0.794 120.457 121.223 0.046 0.000 4.496 371 L HA -0.271 4.061 4.340 -0.014 0.000 0.419 371 L C 1.252 178.153 176.870 0.052 0.000 1.139 371 L CA 0.472 55.343 54.840 0.052 0.000 0.975 371 L CB -1.413 40.674 42.059 0.047 0.000 2.099 371 L HN 0.158 nan 8.230 nan 0.000 0.818 372 R N 0.589 121.118 120.500 0.048 0.000 2.334 372 R HA 0.386 4.718 4.340 -0.014 0.000 0.216 372 R C 0.929 177.259 176.300 0.051 0.000 0.905 372 R CA 0.666 56.792 56.100 0.044 0.000 1.064 372 R CB 0.882 31.202 30.300 0.034 0.000 1.046 372 R HN 0.457 nan 8.270 nan 0.000 0.508 373 G N 1.356 110.196 108.800 0.067 0.000 2.653 373 G HA2 -0.157 3.795 3.960 -0.014 0.000 0.656 373 G HA3 -0.157 3.795 3.960 -0.014 0.000 0.656 373 G C -1.791 173.161 174.900 0.086 0.000 1.419 373 G CA -0.927 44.225 45.100 0.086 0.000 0.862 373 G HN 0.057 nan 8.290 nan 0.000 0.639 374 D N 2.074 122.550 120.400 0.125 0.000 2.485 374 D HA 0.367 4.999 4.640 -0.014 0.000 0.221 374 D C 1.791 178.104 176.300 0.022 0.000 1.112 374 D CA -0.622 53.418 54.000 0.067 0.000 0.911 374 D CB 0.569 41.409 40.800 0.068 0.000 1.019 374 D HN 0.308 nan 8.370 nan 0.000 0.516 375 L N 1.923 123.152 121.223 0.011 0.000 2.156 375 L HA -0.062 4.270 4.340 -0.014 0.000 0.208 375 L C 1.522 178.372 176.870 -0.033 0.000 1.095 375 L CA 0.490 55.331 54.840 0.002 0.000 0.770 375 L CB -0.046 42.015 42.059 0.004 0.000 0.914 375 L HN 0.232 nan 8.230 nan 0.000 0.439 376 D N 0.829 121.197 120.400 -0.053 0.000 2.097 376 D HA -0.163 4.469 4.640 -0.014 0.000 0.195 376 D C 2.276 178.496 176.300 -0.133 0.000 0.989 376 D CA 1.630 55.586 54.000 -0.075 0.000 0.827 376 D CB -0.014 40.745 40.800 -0.068 0.000 0.966 376 D HN 0.270 nan 8.370 nan 0.000 0.456 377 A N 0.956 123.631 122.820 -0.242 0.000 1.902 377 A HA -0.059 4.252 4.320 -0.014 0.000 0.217 377 A C 2.309 179.681 177.584 -0.354 0.000 1.181 377 A CA 2.355 54.092 52.037 -0.499 0.000 0.623 377 A CB -0.802 17.525 19.000 -1.122 0.000 0.818 377 A HN 0.237 nan 8.150 nan 0.000 0.443 378 A N -0.114 122.619 122.820 -0.145 0.000 1.883 378 A HA -0.191 4.120 4.320 -0.014 0.000 0.217 378 A C 2.244 179.846 177.584 0.030 0.000 1.186 378 A CA 1.648 53.720 52.037 0.058 0.000 0.624 378 A CB -0.484 18.578 19.000 0.103 0.000 0.822 378 A HN 0.560 nan 8.150 nan 0.000 0.444 379 R N -0.591 119.903 120.500 -0.011 0.000 2.096 379 R HA -0.040 4.291 4.340 -0.014 0.000 0.235 379 R C 2.435 178.728 176.300 -0.013 0.000 1.127 379 R CA 1.101 57.197 56.100 -0.007 0.000 0.968 379 R CB -0.435 29.855 30.300 -0.017 0.000 0.861 379 R HN 0.521 nan 8.270 nan 0.000 0.440 380 A N 1.309 124.106 122.820 -0.039 0.000 1.898 380 A HA -0.154 4.157 4.320 -0.014 0.000 0.216 380 A C 1.877 179.447 177.584 -0.022 0.000 1.181 380 A CA 1.189 53.200 52.037 -0.043 0.000 0.620 380 A CB -0.179 18.779 19.000 -0.069 0.000 0.819 380 A HN 0.149 nan 8.150 nan 0.000 0.442 381 E N 0.193 120.409 120.200 0.027 0.000 2.077 381 E HA -0.153 4.188 4.350 -0.014 0.000 0.193 381 E C 2.077 178.723 176.600 0.077 0.000 0.989 381 E CA 0.973 57.434 56.400 0.102 0.000 0.800 381 E CB -0.493 29.336 29.700 0.215 0.000 0.746 381 E HN 0.672 nan 8.360 nan 0.000 0.452 382 L N 0.581 121.846 121.223 0.070 0.000 2.042 382 L HA -0.194 4.138 4.340 -0.014 0.000 0.210 382 L C 2.585 179.470 176.870 0.025 0.000 1.076 382 L CA 1.202 56.085 54.840 0.071 0.000 0.749 382 L CB -0.564 41.542 42.059 0.078 0.000 0.893 382 L HN 0.077 nan 8.230 nan 0.000 0.432 383 A N 0.015 122.833 122.820 -0.003 0.000 1.908 383 A HA -0.208 4.103 4.320 -0.014 0.000 0.218 383 A C 2.526 180.072 177.584 -0.063 0.000 1.181 383 A CA 1.786 53.806 52.037 -0.028 0.000 0.627 383 A CB -0.734 18.245 19.000 -0.035 0.000 0.818 383 A HN 0.421 nan 8.150 nan 0.000 0.445 384 A N -0.304 122.447 122.820 -0.115 0.000 1.978 384 A HA 0.155 4.467 4.320 -0.014 0.000 0.220 384 A C 2.332 179.822 177.584 -0.157 0.000 1.170 384 A CA 1.934 53.821 52.037 -0.250 0.000 0.636 384 A CB -0.794 17.840 19.000 -0.609 0.000 0.810 384 A HN 1.127 nan 8.150 nan 0.000 0.448 385 A N -1.785 121.010 122.820 -0.041 0.000 2.206 385 A HA 0.384 4.695 4.320 -0.014 0.000 0.211 385 A C 1.866 179.431 177.584 -0.031 0.000 1.158 385 A CA 1.258 53.297 52.037 0.002 0.000 0.761 385 A CB -0.978 18.024 19.000 0.003 0.000 0.801 385 A HN 1.916 nan 8.150 nan 0.000 0.473 386 G N -1.383 107.398 108.800 -0.032 0.000 2.160 386 G HA2 -0.213 3.738 3.960 -0.014 0.000 0.251 386 G HA3 -0.213 3.738 3.960 -0.014 0.000 0.251 386 G C 0.118 175.009 174.900 -0.016 0.000 1.008 386 G CA 0.457 45.541 45.100 -0.027 0.000 0.724 386 G HN 0.646 nan 8.290 nan 0.000 0.514 387 L N 0.249 121.473 121.223 0.002 0.000 2.732 387 L HA 0.272 4.603 4.340 -0.014 0.000 0.246 387 L C -1.016 175.891 176.870 0.063 0.000 1.407 387 L CA -1.568 53.297 54.840 0.043 0.000 0.861 387 L CB 1.312 43.414 42.059 0.070 0.000 1.161 387 L HN -0.045 nan 8.230 nan 0.000 0.510 388 P HA -0.122 nan 4.420 nan 0.000 0.220 388 P C 0.399 177.712 177.300 0.022 0.000 1.148 388 P CA 1.171 64.284 63.100 0.020 0.000 0.803 388 P CB 0.385 32.087 31.700 0.003 0.000 0.782 389 D N -0.757 119.658 120.400 0.025 0.000 2.349 389 D HA 0.231 4.863 4.640 -0.014 0.000 0.214 389 D C 1.412 177.716 176.300 0.006 0.000 1.063 389 D CA 0.761 54.768 54.000 0.012 0.000 0.847 389 D CB 0.562 41.367 40.800 0.009 0.000 0.933 389 D HN 0.181 nan 8.370 nan 0.000 0.513 390 G N 1.008 109.834 108.800 0.043 0.000 2.548 390 G HA2 0.024 3.975 3.960 -0.014 0.000 0.208 390 G HA3 0.024 3.975 3.960 -0.014 0.000 0.208 390 G C -0.656 174.318 174.900 0.124 0.000 1.308 390 G CA -0.452 44.647 45.100 -0.002 0.000 0.924 390 G HN 0.285 nan 8.290 nan 0.000 0.540 391 F N -2.942 116.985 119.950 -0.038 0.000 2.858 391 F HA 0.846 5.365 4.527 -0.015 0.000 0.319 391 F C -0.619 175.170 175.800 -0.019 0.000 1.166 391 F CA -1.502 56.472 58.000 -0.043 0.000 0.899 391 F CB 0.757 39.704 39.000 -0.088 0.000 1.332 391 F HN 0.675 nan 8.300 nan 0.000 0.461 392 R N 1.155 121.785 120.500 0.217 0.000 2.604 392 R HA 0.936 5.267 4.340 -0.014 0.000 0.287 392 R C -0.941 175.540 176.300 0.302 0.000 0.970 392 R CA -0.880 55.300 56.100 0.132 0.000 0.946 392 R CB 1.860 32.216 30.300 0.093 0.000 1.127 392 R HN 1.054 nan 8.270 nan 0.000 0.473 393 A N 1.542 124.501 122.820 0.232 0.000 2.581 393 A HA 0.639 4.951 4.320 -0.014 0.000 0.290 393 A C -1.557 176.143 177.584 0.194 0.000 1.119 393 A CA -0.607 51.629 52.037 0.332 0.000 0.670 393 A CB 1.639 21.047 19.000 0.682 0.000 1.280 393 A HN 0.356 nan 8.150 nan 0.000 0.425 394 V N 0.888 120.906 119.914 0.173 0.000 2.540 394 V HA 0.545 4.657 4.120 -0.014 0.000 0.302 394 V C -0.551 175.562 176.094 0.032 0.000 1.035 394 V CA -0.311 62.040 62.300 0.085 0.000 0.873 394 V CB 1.588 33.456 31.823 0.075 0.000 0.992 394 V HN 0.782 nan 8.190 nan 0.000 0.428 395 I N 3.144 123.721 120.570 0.011 0.000 2.354 395 I HA 0.769 4.930 4.170 -0.014 0.000 0.292 395 I C 0.659 176.772 176.117 -0.006 0.000 0.989 395 I CA -0.092 61.194 61.300 -0.024 0.000 1.188 395 I CB 1.209 39.194 38.000 -0.025 0.000 1.342 395 I HN 0.751 nan 8.210 nan 0.000 0.457 396 G N 4.446 113.242 108.800 -0.006 0.000 2.377 396 G HA2 0.547 4.498 3.960 -0.014 0.000 0.299 396 G HA3 0.547 4.498 3.960 -0.014 0.000 0.299 396 G C -0.660 174.313 174.900 0.121 0.000 1.150 396 G CA -0.124 45.002 45.100 0.043 0.000 0.847 396 G HN 0.626 nan 8.290 nan 0.000 0.501 397 T N 0.074 114.733 114.554 0.175 0.000 2.665 397 T HA 0.507 4.848 4.350 -0.014 0.000 0.303 397 T C -1.121 173.639 174.700 0.101 0.000 1.334 397 T CA -0.552 61.662 62.100 0.191 0.000 1.011 397 T CB 1.263 70.189 68.868 0.098 0.000 1.573 397 T HN 0.530 nan 8.240 nan 0.000 0.492 398 Q N 0.652 120.411 119.800 -0.067 0.000 2.297 398 Q HA 0.587 4.919 4.340 -0.014 0.000 0.269 398 Q C -0.508 175.419 176.000 -0.123 0.000 1.051 398 Q CA -0.995 54.663 55.803 -0.243 0.000 0.869 398 Q CB 1.701 30.087 28.738 -0.586 0.000 1.346 398 Q HN 0.429 nan 8.270 nan 0.000 0.457 399 R N 0.206 120.623 120.500 -0.138 0.000 2.698 399 R HA 0.309 4.640 4.340 -0.014 0.000 0.266 399 R C 0.569 176.791 176.300 -0.130 0.000 1.026 399 R CA 1.231 57.267 56.100 -0.106 0.000 1.102 399 R CB 0.042 30.281 30.300 -0.101 0.000 0.978 399 R HN 0.905 nan 8.270 nan 0.000 0.436 400 G N 1.540 110.289 108.800 -0.084 0.000 2.516 400 G HA2 -0.306 3.646 3.960 -0.014 0.000 0.220 400 G HA3 -0.306 3.646 3.960 -0.014 0.000 0.220 400 G C 0.359 175.239 174.900 -0.032 0.000 1.165 400 G CA 0.169 45.218 45.100 -0.085 0.000 1.013 400 G HN 0.517 nan 8.290 nan 0.000 0.590 401 K N -0.174 120.205 120.400 -0.035 0.000 2.057 401 K HA 0.172 4.484 4.320 -0.014 0.000 0.207 401 K C 2.438 179.161 176.600 0.206 0.000 1.049 401 K CA 2.299 58.617 56.287 0.052 0.000 0.931 401 K CB -0.541 31.973 32.500 0.023 0.000 0.714 401 K HN 0.331 nan 8.250 nan 0.000 0.440 402 F N 0.706 120.611 119.950 -0.076 0.000 2.202 402 F HA -0.097 4.421 4.527 -0.015 0.000 0.301 402 F C 2.280 178.066 175.800 -0.024 0.000 1.082 402 F CA 1.138 59.120 58.000 -0.030 0.000 1.313 402 F CB -0.673 38.257 39.000 -0.117 0.000 1.024 402 F HN 0.060 nan 8.300 nan 0.000 0.495 403 R N 0.806 121.390 120.500 0.141 0.000 2.073 403 R HA -0.073 4.258 4.340 -0.014 0.000 0.229 403 R C 2.071 178.401 176.300 0.049 0.000 1.120 403 R CA 1.302 57.439 56.100 0.062 0.000 0.967 403 R CB -0.897 29.414 30.300 0.017 0.000 0.862 403 R HN 0.308 nan 8.270 nan 0.000 0.436 404 L N -0.263 120.991 121.223 0.051 0.000 2.042 404 L HA -0.161 4.171 4.340 -0.014 0.000 0.210 404 L C 2.286 179.186 176.870 0.050 0.000 1.076 404 L CA 1.155 56.019 54.840 0.040 0.000 0.749 404 L CB -0.567 41.513 42.059 0.035 0.000 0.893 404 L HN 0.046 nan 8.230 nan 0.000 0.432 405 V N 0.193 120.155 119.914 0.080 0.000 2.295 405 V HA -0.297 3.815 4.120 -0.014 0.000 0.246 405 V C 2.805 178.912 176.094 0.023 0.000 1.049 405 V CA 1.845 64.189 62.300 0.074 0.000 1.024 405 V CB -0.905 31.009 31.823 0.153 0.000 0.648 405 V HN 0.486 nan 8.190 nan 0.000 0.447 406 A N -0.084 122.747 122.820 0.019 0.000 1.908 406 A HA -0.277 4.034 4.320 -0.014 0.000 0.218 406 A C 1.989 179.575 177.584 0.003 0.000 1.181 406 A CA 2.129 54.166 52.037 -0.001 0.000 0.627 406 A CB -0.679 18.328 19.000 0.010 0.000 0.818 406 A HN 0.545 nan 8.150 nan 0.000 0.445 407 D N 0.027 120.434 120.400 0.011 0.000 2.144 407 D HA -0.066 4.566 4.640 -0.014 0.000 0.199 407 D C 2.190 178.494 176.300 0.006 0.000 0.984 407 D CA 1.510 55.514 54.000 0.007 0.000 0.834 407 D CB -0.421 40.384 40.800 0.008 0.000 0.955 407 D HN 0.444 nan 8.370 nan 0.000 0.465 408 A N 0.487 123.314 122.820 0.012 0.000 1.969 408 A HA -0.110 4.201 4.320 -0.014 0.000 0.218 408 A C 2.497 180.084 177.584 0.005 0.000 1.169 408 A CA 1.009 53.053 52.037 0.012 0.000 0.635 408 A CB -0.556 18.457 19.000 0.021 0.000 0.810 408 A HN 0.149 nan 8.150 nan 0.000 0.445 409 V N -0.406 119.506 119.914 -0.003 0.000 2.307 409 V HA -0.223 3.888 4.120 -0.014 0.000 0.245 409 V C 2.554 178.645 176.094 -0.006 0.000 1.045 409 V CA 1.893 64.189 62.300 -0.007 0.000 1.024 409 V CB -0.910 30.901 31.823 -0.020 0.000 0.651 409 V HN 0.362 nan 8.190 nan 0.000 0.449 410 V N 0.054 119.964 119.914 -0.006 0.000 2.252 410 V HA -0.350 3.762 4.120 -0.014 0.000 0.249 410 V C 2.483 178.569 176.094 -0.014 0.000 1.056 410 V CA 2.569 64.862 62.300 -0.011 0.000 1.022 410 V CB -0.605 31.213 31.823 -0.007 0.000 0.641 410 V HN 0.661 nan 8.190 nan 0.000 0.445 411 E N -0.122 120.074 120.200 -0.007 0.000 2.077 411 E HA -0.197 4.144 4.350 -0.014 0.000 0.193 411 E C 2.377 178.973 176.600 -0.006 0.000 0.989 411 E CA 1.534 57.931 56.400 -0.006 0.000 0.800 411 E CB -0.096 29.604 29.700 0.000 0.000 0.746 411 E HN 0.595 nan 8.360 nan 0.000 0.452 412 S N 0.629 116.329 115.700 -0.000 0.000 2.353 412 S HA -0.144 4.317 4.470 -0.014 0.000 0.222 412 S C 1.927 176.526 174.600 -0.002 0.000 1.035 412 S CA 1.126 59.329 58.200 0.005 0.000 1.025 412 S CB -0.189 63.018 63.200 0.012 0.000 0.902 412 S HN 0.293 nan 8.310 nan 0.000 0.440 413 L N 0.888 122.103 121.223 -0.014 0.000 2.270 413 L HA 0.078 4.410 4.340 -0.014 0.000 0.210 413 L C 2.674 179.506 176.870 -0.063 0.000 1.104 413 L CA 0.676 55.495 54.840 -0.035 0.000 0.804 413 L CB -0.707 41.327 42.059 -0.042 0.000 0.937 413 L HN 0.294 nan 8.230 nan 0.000 0.450 414 A N 0.727 123.515 122.820 -0.052 0.000 2.032 414 A HA -0.225 4.086 4.320 -0.014 0.000 0.221 414 A C 2.331 179.888 177.584 -0.045 0.000 1.165 414 A CA 1.456 53.460 52.037 -0.055 0.000 0.645 414 A CB -0.493 18.485 19.000 -0.037 0.000 0.807 414 A HN 0.377 nan 8.150 nan 0.000 0.453 415 R N -0.673 119.809 120.500 -0.030 0.000 2.193 415 R HA -0.065 4.267 4.340 -0.014 0.000 0.229 415 R C 1.196 177.482 176.300 -0.024 0.000 1.110 415 R CA 1.439 57.527 56.100 -0.020 0.000 0.988 415 R CB -0.317 29.979 30.300 -0.007 0.000 0.871 415 R HN 0.615 nan 8.270 nan 0.000 0.458 416 V N -4.164 115.729 119.914 -0.036 0.000 3.176 416 V HA 0.506 4.618 4.120 -0.014 0.000 0.332 416 V C 0.770 176.825 176.094 -0.065 0.000 1.414 416 V CA 0.159 62.438 62.300 -0.036 0.000 1.133 416 V CB 0.373 32.186 31.823 -0.017 0.000 1.088 416 V HN 0.322 nan 8.190 nan 0.000 0.473 417 G N 1.332 110.083 108.800 -0.082 0.000 2.143 417 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.249 417 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.249 417 G C -0.045 174.733 174.900 -0.204 0.000 0.981 417 G CA 0.350 45.387 45.100 -0.105 0.000 0.665 417 G HN 0.653 nan 8.290 nan 0.000 0.528 418 I N 1.522 121.926 120.570 -0.277 0.000 2.308 418 I HA 0.253 4.414 4.170 -0.014 0.000 0.293 418 I C 0.296 176.236 176.117 -0.296 0.000 1.078 418 I CA -0.039 60.958 61.300 -0.505 0.000 1.292 418 I CB 0.656 38.316 38.000 -0.565 0.000 1.423 418 I HN 0.133 nan 8.210 nan 0.000 0.493 419 E N 7.694 127.740 120.200 -0.258 0.000 2.055 419 E HA 0.461 4.802 4.350 -0.014 0.000 0.274 419 E C -0.908 175.650 176.600 -0.071 0.000 0.949 419 E CA -0.425 55.904 56.400 -0.119 0.000 0.775 419 E CB 1.393 31.048 29.700 -0.076 0.000 1.097 419 E HN 0.501 nan 8.360 nan 0.000 0.404 420 L N 2.745 123.944 121.223 -0.040 0.000 2.325 420 L HA 0.451 4.782 4.340 -0.014 0.000 0.278 420 L C 0.531 177.406 176.870 0.009 0.000 1.023 420 L CA -0.785 54.058 54.840 0.004 0.000 0.811 420 L CB 1.617 43.682 42.059 0.010 0.000 1.249 420 L HN 0.526 nan 8.230 nan 0.000 0.431 421 T N -0.567 114.002 114.554 0.025 0.000 2.952 421 T HA 0.679 5.021 4.350 -0.014 0.000 0.286 421 T C -0.317 174.394 174.700 0.018 0.000 1.024 421 T CA -0.762 61.349 62.100 0.019 0.000 1.029 421 T CB 2.119 71.001 68.868 0.023 0.000 1.094 421 T HN 0.191 nan 8.240 nan 0.000 0.515 422 V N 1.846 121.766 119.914 0.009 0.000 2.417 422 V HA 0.622 4.734 4.120 -0.014 0.000 0.291 422 V C -0.168 175.924 176.094 -0.003 0.000 1.024 422 V CA -0.877 61.426 62.300 0.005 0.000 0.861 422 V CB 1.427 33.252 31.823 0.003 0.000 0.985 422 V HN 0.981 nan 8.190 nan 0.000 0.436 423 K N 4.048 124.443 120.400 -0.008 0.000 2.339 423 K HA 0.437 4.748 4.320 -0.014 0.000 0.264 423 K C -0.231 176.348 176.600 -0.034 0.000 0.986 423 K CA -0.167 56.096 56.287 -0.041 0.000 0.866 423 K CB 0.989 33.450 32.500 -0.066 0.000 1.103 423 K HN 0.733 nan 8.250 nan 0.000 0.441 424 E N 4.068 124.243 120.200 -0.043 0.000 2.301 424 E HA 0.313 4.654 4.350 -0.014 0.000 0.275 424 E C -0.508 176.068 176.600 -0.039 0.000 1.030 424 E CA -0.555 55.830 56.400 -0.025 0.000 0.852 424 E CB 1.117 30.797 29.700 -0.034 0.000 1.060 424 E HN 0.456 nan 8.360 nan 0.000 0.401 425 L N 1.739 122.978 121.223 0.027 0.000 2.341 425 L HA 0.297 4.628 4.340 -0.014 0.000 0.267 425 L C -0.161 176.733 176.870 0.041 0.000 1.009 425 L CA -1.228 53.639 54.840 0.045 0.000 0.819 425 L CB 1.732 43.878 42.059 0.144 0.000 1.323 425 L HN 0.520 nan 8.230 nan 0.000 0.425 426 D N 0.518 120.925 120.400 0.012 0.000 2.583 426 D HA -0.014 4.617 4.640 -0.014 0.000 0.232 426 D C 0.814 177.095 176.300 -0.031 0.000 1.128 426 D CA 0.150 54.139 54.000 -0.019 0.000 0.859 426 D CB 1.274 42.064 40.800 -0.016 0.000 1.169 426 D HN 0.243 nan 8.370 nan 0.000 0.481 427 V N 4.586 124.430 119.914 -0.116 0.000 2.261 427 V HA -0.241 3.871 4.120 -0.014 0.000 0.246 427 V C 2.369 178.359 176.094 -0.173 0.000 1.047 427 V CA 2.175 64.346 62.300 -0.215 0.000 1.015 427 V CB -0.986 30.689 31.823 -0.246 0.000 0.642 427 V HN 0.808 nan 8.190 nan 0.000 0.446 428 A N 0.564 123.325 122.820 -0.099 0.000 1.917 428 A HA -0.232 4.080 4.320 -0.014 0.000 0.219 428 A C 2.182 179.740 177.584 -0.044 0.000 1.182 428 A CA 2.580 54.584 52.037 -0.055 0.000 0.633 428 A CB -0.799 18.191 19.000 -0.017 0.000 0.819 428 A HN 0.658 nan 8.150 nan 0.000 0.448 429 T N -5.221 109.311 114.554 -0.038 0.000 3.176 429 T HA 0.180 4.522 4.350 -0.014 0.000 0.263 429 T C 1.127 175.801 174.700 -0.044 0.000 1.021 429 T CA 0.207 62.296 62.100 -0.017 0.000 0.905 429 T CB -0.359 68.510 68.868 0.001 0.000 1.057 429 T HN 0.315 nan 8.240 nan 0.000 0.558 430 Y N 1.632 121.745 120.300 -0.313 0.000 2.207 430 Y HA -0.047 4.494 4.550 -0.014 0.000 0.287 430 Y C 1.309 177.029 175.900 -0.299 0.000 1.156 430 Y CA 0.946 58.819 58.100 -0.379 0.000 1.182 430 Y CB -0.431 37.672 38.460 -0.596 0.000 0.979 430 Y HN 0.433 nan 8.280 nan 0.000 0.521 431 F N -1.619 118.327 119.950 -0.008 0.000 2.374 431 F HA -0.063 4.455 4.527 -0.014 0.000 0.291 431 F C 2.547 178.253 175.800 -0.156 0.000 1.084 431 F CA 0.458 58.344 58.000 -0.190 0.000 1.413 431 F CB -0.483 38.467 39.000 -0.083 0.000 1.099 431 F HN -0.022 nan 8.300 nan 0.000 0.534 432 S N 0.507 116.267 115.700 0.101 0.000 2.377 432 S HA -0.005 4.457 4.470 -0.014 0.000 0.223 432 S C 1.487 176.142 174.600 0.091 0.000 1.030 432 S CA 0.858 59.106 58.200 0.080 0.000 0.970 432 S CB -0.454 62.798 63.200 0.087 0.000 0.830 432 S HN 0.406 nan 8.310 nan 0.000 0.473 433 L N -0.001 121.250 121.223 0.047 0.000 2.993 433 L HA 0.438 4.770 4.340 -0.014 0.000 0.264 433 L C 1.766 178.628 176.870 -0.014 0.000 1.154 433 L CA 0.203 55.067 54.840 0.041 0.000 0.972 433 L CB 0.210 42.270 42.059 0.001 0.000 1.373 433 L HN 0.434 nan 8.230 nan 0.000 0.564 434 G N -0.181 108.565 108.800 -0.090 0.000 3.380 434 G HA2 0.273 4.225 3.960 -0.014 0.000 0.188 434 G HA3 0.273 4.225 3.960 -0.014 0.000 0.188 434 G C 1.310 176.032 174.900 -0.296 0.000 1.892 434 G CA 0.574 45.560 45.100 -0.190 0.000 0.912 434 G HN 0.077 nan 8.290 nan 0.000 0.609 435 A N -0.135 122.274 122.820 -0.686 0.000 1.978 435 A HA 0.141 4.452 4.320 -0.014 0.000 0.220 435 A C 2.382 179.753 177.584 -0.354 0.000 1.170 435 A CA 2.136 53.840 52.037 -0.556 0.000 0.636 435 A CB -0.920 17.569 19.000 -0.852 0.000 0.810 435 A HN 0.900 nan 8.150 nan 0.000 0.448 436 G N -2.425 106.166 108.800 -0.348 0.000 2.848 436 G HA2 0.051 4.003 3.960 -0.014 0.000 0.208 436 G HA3 0.051 4.003 3.960 -0.014 0.000 0.208 436 G C 0.444 175.239 174.900 -0.175 0.000 1.152 436 G CA 0.229 45.150 45.100 -0.299 0.000 0.789 436 G HN 0.560 nan 8.290 nan 0.000 0.531 437 H N 0.095 119.061 119.070 -0.172 0.000 2.638 437 H HA 0.310 4.858 4.556 -0.014 0.000 0.317 437 H C -1.942 173.329 175.328 -0.094 0.000 1.006 437 H CA -1.962 54.018 56.048 -0.113 0.000 1.222 437 H CB 2.621 32.334 29.762 -0.082 0.000 1.419 437 H HN -0.102 nan 8.280 nan 0.000 0.489 438 P HA -0.158 nan 4.420 nan 0.000 0.217 438 P C 0.911 178.279 177.300 0.113 0.000 1.148 438 P CA 1.408 64.512 63.100 0.007 0.000 0.828 438 P CB 0.519 32.148 31.700 -0.119 0.000 0.783 439 E N -1.466 118.920 120.200 0.309 0.000 2.107 439 E HA -0.096 4.246 4.350 -0.014 0.000 0.191 439 E C 1.854 178.453 176.600 -0.001 0.000 0.982 439 E CA 1.291 57.755 56.400 0.107 0.000 0.809 439 E CB -0.592 29.139 29.700 0.051 0.000 0.756 439 E HN 0.238 nan 8.360 nan 0.000 0.459 440 T N 0.747 115.302 114.554 0.001 0.000 2.708 440 T HA -0.131 4.211 4.350 -0.014 0.000 0.266 440 T C 2.095 176.829 174.700 0.058 0.000 1.037 440 T CA 1.029 63.126 62.100 -0.005 0.000 1.146 440 T CB -0.219 68.658 68.868 0.016 0.000 0.865 440 T HN -0.023 nan 8.240 nan 0.000 0.435 441 V N 1.517 121.470 119.914 0.066 0.000 2.332 441 V HA -0.221 3.890 4.120 -0.014 0.000 0.248 441 V C 2.595 178.736 176.094 0.078 0.000 1.055 441 V CA 1.743 64.088 62.300 0.075 0.000 1.038 441 V CB -0.570 31.311 31.823 0.098 0.000 0.651 441 V HN 0.399 nan 8.190 nan 0.000 0.450 442 R N -0.368 120.175 120.500 0.070 0.000 2.073 442 R HA -0.142 4.189 4.340 -0.014 0.000 0.229 442 R C 2.411 178.696 176.300 -0.025 0.000 1.120 442 R CA 1.443 57.572 56.100 0.050 0.000 0.967 442 R CB -0.328 30.001 30.300 0.047 0.000 0.862 442 R HN 0.624 nan 8.270 nan 0.000 0.436 443 E N 0.271 120.406 120.200 -0.108 0.000 2.070 443 E HA -0.217 4.124 4.350 -0.014 0.000 0.197 443 E C 1.160 177.562 176.600 -0.331 0.000 1.004 443 E CA 1.267 57.506 56.400 -0.268 0.000 0.805 443 E CB 0.118 29.553 29.700 -0.441 0.000 0.744 443 E HN 0.491 nan 8.360 nan 0.000 0.451 444 H N -1.466 117.604 119.070 -0.001 0.000 2.551 444 H HA 0.191 4.739 4.556 -0.014 0.000 0.271 444 H C 0.806 176.141 175.328 0.011 0.000 0.984 444 H CA 0.688 56.737 56.048 0.003 0.000 1.164 444 H CB 0.931 30.691 29.762 -0.003 0.000 1.437 444 H HN 0.338 nan 8.280 nan 0.000 0.550 445 G N 1.916 110.766 108.800 0.084 0.000 2.333 445 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.296 445 G HA3 -0.262 3.690 3.960 -0.014 0.000 0.296 445 G C 0.026 174.963 174.900 0.061 0.000 1.059 445 G CA -0.101 45.040 45.100 0.068 0.000 1.050 445 G HN 0.347 nan 8.290 nan 0.000 0.508 446 L N 0.845 122.087 121.223 0.031 0.000 2.358 446 L HA 0.426 4.757 4.340 -0.014 0.000 0.274 446 L C 1.870 178.651 176.870 -0.148 0.000 1.136 446 L CA 0.025 54.849 54.840 -0.027 0.000 0.970 446 L CB 0.490 42.541 42.059 -0.012 0.000 1.314 446 L HN 0.302 nan 8.230 nan 0.000 0.427 447 G N 3.594 112.272 108.800 -0.202 0.000 2.448 447 G HA2 0.071 4.023 3.960 -0.014 0.000 0.218 447 G HA3 0.071 4.023 3.960 -0.014 0.000 0.218 447 G C 0.457 174.784 174.900 -0.954 0.000 1.135 447 G CA 0.359 45.108 45.100 -0.586 0.000 0.784 447 G HN 0.328 nan 8.290 nan 0.000 0.543 448 L N -0.407 120.488 121.223 -0.548 0.000 2.370 448 L HA 0.686 5.018 4.340 -0.014 0.000 0.266 448 L C -0.656 176.093 176.870 -0.202 0.000 1.002 448 L CA -0.579 54.031 54.840 -0.384 0.000 0.818 448 L CB 2.542 44.432 42.059 -0.281 0.000 1.325 448 L HN -0.143 nan 8.230 nan 0.000 0.418 449 L N 2.196 123.320 121.223 -0.164 0.000 2.436 449 L HA 0.610 4.942 4.340 -0.014 0.000 0.268 449 L C -1.009 175.772 176.870 -0.147 0.000 0.974 449 L CA -0.809 53.968 54.840 -0.105 0.000 0.826 449 L CB 2.420 44.418 42.059 -0.102 0.000 1.291 449 L HN 0.229 nan 8.230 nan 0.000 0.406 450 V N 1.869 121.714 119.914 -0.114 0.000 2.465 450 V HA 0.669 4.781 4.120 -0.014 0.000 0.279 450 V C 0.183 176.062 176.094 -0.360 0.000 1.045 450 V CA 0.020 62.131 62.300 -0.315 0.000 0.938 450 V CB 1.486 33.127 31.823 -0.304 0.000 0.986 450 V HN 0.873 nan 8.190 nan 0.000 0.467 451 T N 2.809 116.989 114.554 -0.623 0.000 2.711 451 T HA 0.540 4.881 4.350 -0.014 0.000 0.302 451 T C -2.182 172.375 174.700 -0.238 0.000 1.373 451 T CA -0.543 61.372 62.100 -0.309 0.000 1.000 451 T CB 1.946 70.858 68.868 0.073 0.000 1.483 451 T HN 0.895 nan 8.240 nan 0.000 0.499 452 D N -0.118 120.528 120.400 0.411 0.000 2.559 452 D HA 0.540 5.171 4.640 -0.014 0.000 0.250 452 D C -1.401 175.355 176.300 0.760 0.000 1.135 452 D CA -0.689 53.665 54.000 0.590 0.000 0.955 452 D CB 1.345 42.536 40.800 0.652 0.000 1.442 452 D HN 0.699 nan 8.370 nan 0.000 0.471 453 W N 0.610 122.160 121.300 0.418 0.000 3.573 453 W HA 0.550 5.203 4.660 -0.011 0.000 0.306 453 W C -1.977 174.295 176.519 -0.412 0.000 1.227 453 W CA -0.826 56.444 57.345 -0.126 0.000 1.212 453 W CB 2.134 31.479 29.460 -0.192 0.000 1.331 453 W HN 0.709 nan 8.180 nan 0.000 0.524 454 G N 2.303 109.945 108.800 -1.930 0.000 2.591 454 G HA2 0.621 4.572 3.960 -0.014 0.000 0.306 454 G HA3 0.621 4.572 3.960 -0.014 0.000 0.306 454 G C -0.998 172.574 174.900 -2.213 0.000 1.334 454 G CA -0.580 43.181 45.100 -2.232 0.000 0.981 454 G HN 0.743 nan 8.290 nan 0.000 0.491 455 A N 1.217 123.219 122.820 -1.363 0.000 2.445 455 A HA 0.402 4.713 4.320 -0.014 0.000 0.242 455 A C 0.800 177.930 177.584 -0.757 0.000 1.075 455 A CA -0.162 51.311 52.037 -0.940 0.000 0.777 455 A CB 0.353 19.103 19.000 -0.417 0.000 1.013 455 A HN 0.573 nan 8.150 nan 0.000 0.493 456 D N -0.024 120.061 120.400 -0.525 0.000 2.355 456 D HA 0.180 4.811 4.640 -0.014 0.000 0.218 456 D C -0.253 176.127 176.300 0.132 0.000 1.004 456 D CA 1.237 55.159 54.000 -0.131 0.000 0.880 456 D CB -0.212 40.786 40.800 0.329 0.000 0.911 456 D HN 0.525 nan 8.370 nan 0.000 0.528 457 F N -2.221 117.637 119.950 -0.152 0.000 2.650 457 F HA 0.399 4.916 4.527 -0.016 0.000 0.310 457 F C -2.829 172.838 175.800 -0.222 0.000 1.112 457 F CA -2.405 55.517 58.000 -0.130 0.000 0.986 457 F CB 1.177 40.155 39.000 -0.036 0.000 1.285 457 F HN -0.384 nan 8.300 nan 0.000 0.440 458 P HA 0.170 nan 4.420 nan 0.000 0.225 458 P C -0.604 176.575 177.300 -0.201 0.000 1.813 458 P CA 0.217 63.203 63.100 -0.189 0.000 1.013 458 P CB 0.114 31.722 31.700 -0.153 0.000 1.961 459 T N -2.760 111.625 114.554 -0.282 0.000 2.865 459 T HA 0.353 4.695 4.350 -0.014 0.000 0.294 459 T C 1.045 175.521 174.700 -0.372 0.000 1.119 459 T CA -0.637 61.289 62.100 -0.290 0.000 1.007 459 T CB 1.666 70.405 68.868 -0.214 0.000 1.225 459 T HN -0.183 nan 8.240 nan 0.000 0.515 460 E N -0.213 119.634 120.200 -0.588 0.000 2.085 460 E HA -0.062 4.280 4.350 -0.014 0.000 0.194 460 E C 1.473 177.507 176.600 -0.943 0.000 0.994 460 E CA 1.540 57.344 56.400 -0.993 0.000 0.801 460 E CB -0.484 28.018 29.700 -1.997 0.000 0.743 460 E HN 0.676 nan 8.360 nan 0.000 0.453 461 Y N 0.642 120.523 120.300 -0.699 0.000 2.114 461 Y HA -0.174 4.367 4.550 -0.015 0.000 0.284 461 Y C 2.374 178.150 175.900 -0.206 0.000 1.143 461 Y CA 1.976 59.977 58.100 -0.165 0.000 1.135 461 Y CB -0.679 37.907 38.460 0.210 0.000 0.980 461 Y HN 0.075 nan 8.280 nan 0.000 0.499 462 G N -0.650 107.922 108.800 -0.380 0.000 2.440 462 G HA2 -0.342 3.609 3.960 -0.014 0.000 0.218 462 G HA3 -0.342 3.609 3.960 -0.014 0.000 0.218 462 G C 1.610 176.253 174.900 -0.428 0.000 1.154 462 G CA 1.013 45.483 45.100 -1.050 0.000 0.767 462 G HN 0.518 nan 8.290 nan 0.000 0.552 463 F N 0.072 119.804 119.950 -0.362 0.000 2.118 463 F HA 0.207 4.726 4.527 -0.013 0.000 0.293 463 F C 2.194 177.997 175.800 0.004 0.000 1.102 463 F CA 1.099 59.062 58.000 -0.063 0.000 1.247 463 F CB -0.028 38.935 39.000 -0.062 0.000 1.017 463 F HN 0.093 nan 8.300 nan 0.000 0.475 464 L N -0.145 121.030 121.223 -0.080 0.000 2.357 464 L HA 0.360 4.692 4.340 -0.014 0.000 0.211 464 L C 2.313 179.024 176.870 -0.266 0.000 1.075 464 L CA 1.392 56.124 54.840 -0.180 0.000 0.830 464 L CB -1.018 41.073 42.059 0.052 0.000 0.996 464 L HN 0.125 nan 8.230 nan 0.000 0.467 465 A N 0.752 123.378 122.820 -0.324 0.000 1.883 465 A HA -0.105 4.207 4.320 -0.014 0.000 0.217 465 A C -0.164 177.242 177.584 -0.297 0.000 1.186 465 A CA 2.009 53.833 52.037 -0.354 0.000 0.624 465 A CB -1.982 16.446 19.000 -0.954 0.000 0.822 465 A HN 0.401 nan 8.150 nan 0.000 0.444 466 P HA -0.080 nan 4.420 nan 0.000 0.222 466 P C 1.183 178.227 177.300 -0.427 0.000 1.147 466 P CA 0.761 63.667 63.100 -0.322 0.000 0.790 466 P CB -0.063 31.398 31.700 -0.400 0.000 0.780 467 L N -1.619 119.255 121.223 -0.583 0.000 2.307 467 L HA 0.019 4.350 4.340 -0.014 0.000 0.211 467 L C 1.861 178.555 176.870 -0.294 0.000 1.099 467 L CA 0.949 55.475 54.840 -0.523 0.000 0.816 467 L CB -0.218 41.394 42.059 -0.746 0.000 0.952 467 L HN -0.024 nan 8.230 nan 0.000 0.455 468 V N -6.554 113.224 119.914 -0.226 0.000 3.380 468 V HA 0.251 4.362 4.120 -0.014 0.000 0.277 468 V C 0.351 176.394 176.094 -0.084 0.000 1.590 468 V CA -0.425 61.789 62.300 -0.143 0.000 1.019 468 V CB 0.478 32.230 31.823 -0.119 0.000 0.828 468 V HN 0.069 nan 8.190 nan 0.000 0.427 469 D N 2.019 122.380 120.400 -0.066 0.000 2.348 469 D HA 0.321 4.952 4.640 -0.014 0.000 0.253 469 D C 1.500 177.793 176.300 -0.012 0.000 1.161 469 D CA 0.976 54.971 54.000 -0.009 0.000 0.876 469 D CB 1.810 42.628 40.800 0.030 0.000 1.160 469 D HN 0.238 nan 8.370 nan 0.000 0.459 470 G N 4.098 112.894 108.800 -0.006 0.000 2.450 470 G HA2 -0.272 3.680 3.960 -0.014 0.000 0.220 470 G HA3 -0.272 3.680 3.960 -0.014 0.000 0.220 470 G C 1.466 176.369 174.900 0.005 0.000 1.130 470 G CA 0.397 45.490 45.100 -0.013 0.000 0.760 470 G HN 0.448 nan 8.290 nan 0.000 0.557 471 R N -0.077 120.446 120.500 0.038 0.000 2.280 471 R HA 0.113 4.444 4.340 -0.014 0.000 0.207 471 R C 1.874 178.206 176.300 0.054 0.000 1.043 471 R CA 0.542 56.676 56.100 0.056 0.000 1.006 471 R CB 0.088 30.446 30.300 0.097 0.000 0.885 471 R HN 0.243 nan 8.270 nan 0.000 0.467 472 Q N -0.069 119.754 119.800 0.039 0.000 2.220 472 Q HA 0.213 4.544 4.340 -0.014 0.000 0.205 472 Q C -0.162 175.832 176.000 -0.009 0.000 0.865 472 Q CA 0.058 55.880 55.803 0.032 0.000 0.960 472 Q CB 0.495 29.252 28.738 0.031 0.000 1.097 472 Q HN 0.331 nan 8.270 nan 0.000 0.493 473 I N 2.555 123.108 120.570 -0.028 0.000 2.505 473 I HA -0.009 4.152 4.170 -0.014 0.000 0.287 473 I C 0.299 176.375 176.117 -0.069 0.000 1.104 473 I CA 0.091 61.354 61.300 -0.062 0.000 1.387 473 I CB 0.390 38.345 38.000 -0.075 0.000 1.404 473 I HN -0.394 nan 8.210 nan 0.000 0.528 474 K N 8.234 128.578 120.400 -0.093 0.000 2.257 474 K HA 0.265 4.576 4.320 -0.014 0.000 0.270 474 K C 0.804 177.294 176.600 -0.183 0.000 1.098 474 K CA -0.465 55.755 56.287 -0.111 0.000 0.943 474 K CB 0.922 33.364 32.500 -0.097 0.000 1.316 474 K HN 0.463 nan 8.250 nan 0.000 0.447 475 R N 0.933 121.336 120.500 -0.161 0.000 2.148 475 R HA -0.038 4.293 4.340 -0.014 0.000 0.227 475 R C 0.350 176.461 176.300 -0.315 0.000 1.103 475 R CA 0.730 56.714 56.100 -0.193 0.000 0.983 475 R CB 0.064 30.298 30.300 -0.111 0.000 0.874 475 R HN 0.413 nan 8.270 nan 0.000 0.451 476 N N 0.249 118.783 118.700 -0.277 0.000 2.268 476 N HA 0.124 4.856 4.740 -0.014 0.000 0.204 476 N C 0.453 175.722 175.510 -0.403 0.000 1.124 476 N CA 0.758 53.646 53.050 -0.271 0.000 0.838 476 N CB 1.040 39.483 38.487 -0.074 0.000 0.994 476 N HN 0.321 nan 8.380 nan 0.000 0.489 477 G N -0.989 107.463 108.800 -0.580 0.000 2.555 477 G HA2 0.261 4.212 3.960 -0.014 0.000 0.686 477 G HA3 0.261 4.212 3.960 -0.014 0.000 0.686 477 G C 0.345 175.150 174.900 -0.158 0.000 1.275 477 G CA -0.110 44.798 45.100 -0.321 0.000 0.871 477 G HN 0.547 nan 8.290 nan 0.000 0.603 478 G N -0.814 107.920 108.800 -0.110 0.000 2.198 478 G HA2 -0.278 3.674 3.960 -0.014 0.000 0.260 478 G HA3 -0.278 3.674 3.960 -0.014 0.000 0.260 478 G C 0.430 175.217 174.900 -0.189 0.000 1.025 478 G CA 1.276 46.319 45.100 -0.094 0.000 0.769 478 G HN 1.653 nan 8.290 nan 0.000 0.507 479 N N -0.819 117.713 118.700 -0.279 0.000 2.497 479 N HA 0.283 5.015 4.740 -0.014 0.000 0.271 479 N C 0.717 175.948 175.510 -0.466 0.000 1.142 479 N CA -0.339 52.554 53.050 -0.262 0.000 0.965 479 N CB 0.427 38.778 38.487 -0.226 0.000 1.077 479 N HN 0.319 nan 8.380 nan 0.000 0.462 480 W N 1.389 122.588 121.300 -0.168 0.000 2.998 480 W HA 0.217 4.870 4.660 -0.012 0.000 0.336 480 W C 0.614 176.964 176.519 -0.281 0.000 1.112 480 W CA -0.538 56.646 57.345 -0.268 0.000 1.682 480 W CB 0.389 29.545 29.460 -0.507 0.000 1.065 480 W HN 0.475 nan 8.180 nan 0.000 0.570 481 N N 2.167 120.839 118.700 -0.048 0.000 3.034 481 N HA 0.096 4.828 4.740 -0.014 0.000 0.265 481 N C 0.817 176.299 175.510 -0.048 0.000 1.166 481 N CA 0.265 53.269 53.050 -0.076 0.000 1.081 481 N CB 0.003 38.438 38.487 -0.086 0.000 1.378 481 N HN 0.148 nan 8.380 nan 0.000 0.520 482 L N 1.824 123.041 121.223 -0.010 0.000 2.046 482 L HA -0.019 4.312 4.340 -0.014 0.000 0.208 482 L C -0.637 176.277 176.870 0.073 0.000 1.077 482 L CA 1.105 55.950 54.840 0.007 0.000 0.747 482 L CB -1.320 40.748 42.059 0.015 0.000 0.896 482 L HN 0.307 nan 8.230 nan 0.000 0.432 483 P HA -0.120 nan 4.420 nan 0.000 0.234 483 P C -0.163 177.229 177.300 0.154 0.000 1.167 483 P CA 0.531 63.681 63.100 0.085 0.000 0.763 483 P CB -0.012 31.687 31.700 -0.002 0.000 0.835 484 E N -2.055 118.176 120.200 0.051 0.000 2.297 484 E HA -0.220 4.122 4.350 -0.014 0.000 0.228 484 E C -0.232 176.344 176.600 -0.040 0.000 1.213 484 E CA -0.195 56.185 56.400 -0.033 0.000 0.712 484 E CB -1.821 27.797 29.700 -0.136 0.000 1.202 484 E HN 0.196 nan 8.360 nan 0.000 0.376 485 L N 1.275 122.458 121.223 -0.067 0.000 2.455 485 L HA 0.185 4.517 4.340 -0.014 0.000 0.272 485 L C 0.138 176.946 176.870 -0.103 0.000 1.174 485 L CA 0.826 55.591 54.840 -0.125 0.000 0.869 485 L CB 0.836 42.786 42.059 -0.183 0.000 1.130 485 L HN 0.101 nan 8.230 nan 0.000 0.474 486 D N 2.868 123.208 120.400 -0.100 0.000 2.735 486 D HA 0.130 4.761 4.640 -0.014 0.000 0.291 486 D C -1.247 175.024 176.300 -0.048 0.000 1.205 486 D CA -0.365 53.601 54.000 -0.058 0.000 0.777 486 D CB 0.162 40.940 40.800 -0.038 0.000 1.234 486 D HN 0.502 nan 8.370 nan 0.000 0.520 487 D N 1.948 122.312 120.400 -0.059 0.000 2.347 487 D HA 0.180 4.811 4.640 -0.014 0.000 0.235 487 D C -1.423 174.889 176.300 0.021 0.000 1.149 487 D CA -2.088 51.907 54.000 -0.007 0.000 0.850 487 D CB 2.059 42.871 40.800 0.020 0.000 1.061 487 D HN 0.107 nan 8.370 nan 0.000 0.487 488 P HA -0.138 nan 4.420 nan 0.000 0.219 488 P C 0.789 178.107 177.300 0.031 0.000 1.146 488 P CA 0.985 64.103 63.100 0.029 0.000 0.808 488 P CB 0.564 32.282 31.700 0.028 0.000 0.779 489 E N -0.325 119.899 120.200 0.039 0.000 2.072 489 E HA -0.070 4.271 4.350 -0.014 0.000 0.190 489 E C 2.144 178.758 176.600 0.023 0.000 0.982 489 E CA 0.739 57.158 56.400 0.032 0.000 0.803 489 E CB -0.419 29.305 29.700 0.040 0.000 0.755 489 E HN 0.045 nan 8.360 nan 0.000 0.453 490 V N 2.350 122.287 119.914 0.038 0.000 2.261 490 V HA -0.273 3.838 4.120 -0.014 0.000 0.246 490 V C 1.839 177.935 176.094 0.004 0.000 1.047 490 V CA 1.815 64.129 62.300 0.024 0.000 1.015 490 V CB -0.557 31.288 31.823 0.037 0.000 0.642 490 V HN 0.259 nan 8.190 nan 0.000 0.446 491 N N 0.872 119.583 118.700 0.019 0.000 2.069 491 N HA -0.170 4.562 4.740 -0.014 0.000 0.191 491 N C 1.860 177.384 175.510 0.023 0.000 1.031 491 N CA 1.855 54.925 53.050 0.033 0.000 0.852 491 N CB -0.711 37.801 38.487 0.042 0.000 1.018 491 N HN 0.504 nan 8.380 nan 0.000 0.423 492 A N 1.106 123.935 122.820 0.013 0.000 1.902 492 A HA -0.038 4.274 4.320 -0.014 0.000 0.217 492 A C 2.417 179.979 177.584 -0.038 0.000 1.181 492 A CA 0.910 52.952 52.037 0.008 0.000 0.623 492 A CB -0.753 18.256 19.000 0.015 0.000 0.818 492 A HN 0.217 nan 8.150 nan 0.000 0.443 493 L N -0.604 120.576 121.223 -0.073 0.000 2.046 493 L HA -0.182 4.149 4.340 -0.014 0.000 0.208 493 L C 2.487 179.185 176.870 -0.287 0.000 1.077 493 L CA 1.252 55.996 54.840 -0.159 0.000 0.747 493 L CB -0.467 41.503 42.059 -0.149 0.000 0.896 493 L HN 0.388 nan 8.230 nan 0.000 0.432 494 I N -0.244 120.180 120.570 -0.244 0.000 2.163 494 I HA -0.320 3.841 4.170 -0.014 0.000 0.243 494 I C 2.111 178.155 176.117 -0.123 0.000 1.085 494 I CA 1.262 62.394 61.300 -0.280 0.000 1.347 494 I CB -0.424 37.573 38.000 -0.005 0.000 1.044 494 I HN 0.280 nan 8.210 nan 0.000 0.408 495 D N 0.519 120.903 120.400 -0.028 0.000 2.123 495 D HA -0.245 4.386 4.640 -0.014 0.000 0.196 495 D C 2.008 178.234 176.300 -0.122 0.000 0.992 495 D CA 1.277 55.289 54.000 0.021 0.000 0.833 495 D CB -0.255 40.594 40.800 0.082 0.000 0.954 495 D HN 0.420 nan 8.370 nan 0.000 0.455 496 E N 0.014 120.079 120.200 -0.224 0.000 2.077 496 E HA -0.183 4.159 4.350 -0.014 0.000 0.193 496 E C 1.957 178.186 176.600 -0.619 0.000 0.989 496 E CA 1.875 57.974 56.400 -0.502 0.000 0.800 496 E CB 0.034 29.584 29.700 -0.250 0.000 0.746 496 E HN 0.366 nan 8.360 nan 0.000 0.452 497 T N -0.469 113.828 114.554 -0.429 0.000 2.759 497 T HA -0.180 4.162 4.350 -0.014 0.000 0.269 497 T C 1.952 176.547 174.700 -0.176 0.000 1.042 497 T CA 1.311 63.211 62.100 -0.334 0.000 1.140 497 T CB -0.485 68.070 68.868 -0.521 0.000 0.864 497 T HN 0.183 nan 8.240 nan 0.000 0.455 498 L N 1.323 122.455 121.223 -0.152 0.000 2.275 498 L HA -0.001 4.330 4.340 -0.014 0.000 0.215 498 L C 2.656 179.544 176.870 0.030 0.000 1.119 498 L CA 1.492 56.299 54.840 -0.055 0.000 0.790 498 L CB -0.630 41.425 42.059 -0.005 0.000 0.919 498 L HN 0.683 nan 8.230 nan 0.000 0.443 499 H N -3.361 115.734 119.070 0.042 0.000 2.755 499 H HA 0.197 4.745 4.556 -0.014 0.000 0.273 499 H C -0.026 175.320 175.328 0.030 0.000 1.055 499 H CA -0.345 55.731 56.048 0.047 0.000 1.191 499 H CB -0.055 29.732 29.762 0.041 0.000 1.536 499 H HN -0.019 nan 8.280 nan 0.000 0.529 500 T N 2.659 117.187 114.554 -0.043 0.000 2.723 500 T HA 0.050 4.391 4.350 -0.014 0.000 0.297 500 T C 1.510 176.241 174.700 0.051 0.000 0.925 500 T CA 0.383 62.492 62.100 0.014 0.000 1.030 500 T CB 1.534 70.359 68.868 -0.072 0.000 0.905 500 T HN 0.513 nan 8.240 nan 0.000 0.502 501 T N 0.262 114.854 114.554 0.064 0.000 2.851 501 T HA -0.061 4.281 4.350 -0.014 0.000 0.262 501 T C 0.811 175.538 174.700 0.045 0.000 1.043 501 T CA 0.264 62.393 62.100 0.050 0.000 1.140 501 T CB -0.285 68.599 68.868 0.028 0.000 0.872 501 T HN 0.480 nan 8.240 nan 0.000 0.446 502 D N 3.572 123.995 120.400 0.038 0.000 2.363 502 D HA 0.173 4.804 4.640 -0.014 0.000 0.263 502 D C -1.663 174.663 176.300 0.044 0.000 1.258 502 D CA -2.169 51.852 54.000 0.035 0.000 0.907 502 D CB 1.354 42.171 40.800 0.028 0.000 1.107 502 D HN 0.096 nan 8.370 nan 0.000 0.495 503 P HA -0.062 nan 4.420 nan 0.000 0.220 503 P C 0.776 178.109 177.300 0.054 0.000 1.148 503 P CA 0.926 64.062 63.100 0.060 0.000 0.803 503 P CB 0.206 31.939 31.700 0.055 0.000 0.782 504 A N 0.334 123.178 122.820 0.040 0.000 1.872 504 A HA 0.013 4.324 4.320 -0.014 0.000 0.214 504 A C 2.347 179.954 177.584 0.037 0.000 1.187 504 A CA 1.777 53.836 52.037 0.035 0.000 0.614 504 A CB -1.557 17.459 19.000 0.026 0.000 0.826 504 A HN 0.174 nan 8.150 nan 0.000 0.442 505 A N -0.318 122.521 122.820 0.030 0.000 1.940 505 A HA -0.188 4.124 4.320 -0.014 0.000 0.219 505 A C 2.219 179.815 177.584 0.019 0.000 1.176 505 A CA 1.866 53.916 52.037 0.021 0.000 0.631 505 A CB -0.483 18.525 19.000 0.014 0.000 0.814 505 A HN 0.537 nan 8.150 nan 0.000 0.446 506 R N -0.510 120.014 120.500 0.040 0.000 2.073 506 R HA -0.110 4.222 4.340 -0.014 0.000 0.234 506 R C 2.387 178.785 176.300 0.163 0.000 1.134 506 R CA 1.508 57.651 56.100 0.071 0.000 0.952 506 R CB -0.444 29.932 30.300 0.125 0.000 0.850 506 R HN 0.463 nan 8.270 nan 0.000 0.433 507 A N 0.931 123.840 122.820 0.148 0.000 1.883 507 A HA -0.195 4.117 4.320 -0.014 0.000 0.217 507 A C 1.939 179.607 177.584 0.139 0.000 1.186 507 A CA 1.681 53.804 52.037 0.144 0.000 0.624 507 A CB -0.495 18.539 19.000 0.058 0.000 0.822 507 A HN 0.320 nan 8.150 nan 0.000 0.444 508 E N -0.008 120.241 120.200 0.081 0.000 2.077 508 E HA -0.147 4.194 4.350 -0.014 0.000 0.193 508 E C 2.051 178.685 176.600 0.056 0.000 0.989 508 E CA 0.979 57.416 56.400 0.063 0.000 0.800 508 E CB -0.488 29.232 29.700 0.033 0.000 0.746 508 E HN 0.689 nan 8.360 nan 0.000 0.452 509 L N -1.138 120.087 121.223 0.003 0.000 2.046 509 L HA -0.153 4.178 4.340 -0.014 0.000 0.208 509 L C 2.420 179.258 176.870 -0.053 0.000 1.077 509 L CA 1.240 56.027 54.840 -0.089 0.000 0.747 509 L CB -0.454 41.467 42.059 -0.229 0.000 0.896 509 L HN 0.206 nan 8.230 nan 0.000 0.432 510 W N 0.148 121.491 121.300 0.071 0.000 2.374 510 W HA -0.129 4.524 4.660 -0.012 0.000 0.288 510 W C 2.770 179.443 176.519 0.258 0.000 1.218 510 W CA 0.493 57.935 57.345 0.162 0.000 1.245 510 W CB -0.071 29.434 29.460 0.076 0.000 1.126 510 W HN -0.005 nan 8.180 nan 0.000 0.545 511 R N -0.056 120.675 120.500 0.385 0.000 2.096 511 R HA -0.128 4.204 4.340 -0.014 0.000 0.235 511 R C 2.353 178.765 176.300 0.186 0.000 1.127 511 R CA 1.444 57.717 56.100 0.288 0.000 0.968 511 R CB -0.800 29.599 30.300 0.165 0.000 0.861 511 R HN 0.145 nan 8.270 nan 0.000 0.440 512 A N 0.655 123.550 122.820 0.125 0.000 1.902 512 A HA -0.110 4.202 4.320 -0.014 0.000 0.217 512 A C 2.340 179.969 177.584 0.075 0.000 1.181 512 A CA 1.320 53.397 52.037 0.065 0.000 0.623 512 A CB -0.548 18.465 19.000 0.021 0.000 0.818 512 A HN 0.105 nan 8.150 nan 0.000 0.443 513 V N 0.129 120.108 119.914 0.109 0.000 2.255 513 V HA -0.318 3.794 4.120 -0.014 0.000 0.247 513 V C 2.565 178.735 176.094 0.126 0.000 1.051 513 V CA 2.470 64.846 62.300 0.125 0.000 1.018 513 V CB -0.770 31.169 31.823 0.193 0.000 0.641 513 V HN 0.774 nan 8.190 nan 0.000 0.445 514 E N 0.042 120.336 120.200 0.155 0.000 2.077 514 E HA -0.278 4.064 4.350 -0.014 0.000 0.193 514 E C 2.454 179.047 176.600 -0.011 0.000 0.989 514 E CA 1.460 57.851 56.400 -0.016 0.000 0.800 514 E CB -0.099 29.524 29.700 -0.127 0.000 0.746 514 E HN 0.488 nan 8.360 nan 0.000 0.452 515 R N 0.337 120.852 120.500 0.024 0.000 2.083 515 R HA -0.197 4.135 4.340 -0.014 0.000 0.237 515 R C 2.492 178.788 176.300 -0.006 0.000 1.137 515 R CA 1.810 57.906 56.100 -0.006 0.000 0.951 515 R CB -0.168 30.132 30.300 -0.001 0.000 0.851 515 R HN -0.049 nan 8.270 nan 0.000 0.434 516 R N 0.291 120.803 120.500 0.020 0.000 2.091 516 R HA -0.084 4.247 4.340 -0.014 0.000 0.238 516 R C 2.029 178.392 176.300 0.106 0.000 1.136 516 R CA 1.751 57.870 56.100 0.031 0.000 0.959 516 R CB -0.784 29.552 30.300 0.060 0.000 0.856 516 R HN 0.183 nan 8.270 nan 0.000 0.437 517 V N 0.413 120.391 119.914 0.107 0.000 2.332 517 V HA -0.282 3.830 4.120 -0.014 0.000 0.248 517 V C 2.288 178.439 176.094 0.096 0.000 1.055 517 V CA 1.889 64.257 62.300 0.113 0.000 1.038 517 V CB -0.447 31.376 31.823 0.001 0.000 0.651 517 V HN 0.293 nan 8.190 nan 0.000 0.450 518 M N -0.622 118.999 119.600 0.035 0.000 2.175 518 M HA -0.121 4.350 4.480 -0.014 0.000 0.264 518 M C 2.124 178.489 176.300 0.109 0.000 1.063 518 M CA 1.362 56.693 55.300 0.052 0.000 1.119 518 M CB -1.249 31.328 32.600 -0.038 0.000 1.377 518 M HN 0.449 nan 8.290 nan 0.000 0.415 519 E N -0.697 119.517 120.200 0.023 0.000 2.085 519 E HA -0.221 4.120 4.350 -0.014 0.000 0.194 519 E C 1.954 178.551 176.600 -0.004 0.000 0.994 519 E CA 1.032 57.430 56.400 -0.004 0.000 0.801 519 E CB -0.215 29.417 29.700 -0.114 0.000 0.743 519 E HN 0.567 nan 8.360 nan 0.000 0.453 520 H N -0.339 118.756 119.070 0.042 0.000 2.456 520 H HA 0.004 4.552 4.556 -0.015 0.000 0.296 520 H C 1.380 176.713 175.328 0.009 0.000 1.079 520 H CA 1.194 57.250 56.048 0.014 0.000 1.322 520 H CB 0.109 29.871 29.762 -0.001 0.000 1.388 520 H HN 0.227 nan 8.280 nan 0.000 0.538 521 A N 0.027 122.942 122.820 0.158 0.000 2.861 521 A HA -0.238 4.073 4.320 -0.014 0.000 0.261 521 A C 2.104 179.705 177.584 0.028 0.000 1.351 521 A CA 0.959 53.032 52.037 0.061 0.000 0.904 521 A CB -2.439 16.474 19.000 -0.144 0.000 1.076 521 A HN 0.391 nan 8.150 nan 0.000 0.729 522 V N -3.095 116.851 119.914 0.054 0.000 3.041 522 V HA 0.380 4.492 4.120 -0.014 0.000 0.260 522 V C 0.838 176.937 176.094 0.009 0.000 1.105 522 V CA 1.522 63.834 62.300 0.019 0.000 1.125 522 V CB -0.481 31.339 31.823 -0.005 0.000 0.730 522 V HN 0.618 nan 8.190 nan 0.000 0.479 523 L N 1.480 122.705 121.223 0.004 0.000 2.356 523 L HA 0.582 4.914 4.340 -0.014 0.000 0.277 523 L C -0.985 175.899 176.870 0.023 0.000 0.996 523 L CA -0.772 54.070 54.840 0.002 0.000 0.822 523 L CB 2.186 44.160 42.059 -0.143 0.000 1.256 523 L HN 0.134 nan 8.230 nan 0.000 0.413 524 L N 6.512 127.774 121.223 0.065 0.000 2.283 524 L HA 0.602 4.933 4.340 -0.014 0.000 0.281 524 L C -2.480 174.431 176.870 0.068 0.000 1.033 524 L CA -1.836 53.032 54.840 0.046 0.000 0.848 524 L CB 0.825 42.895 42.059 0.020 0.000 1.226 524 L HN 0.208 nan 8.230 nan 0.000 0.429 525 P HA 0.236 nan 4.420 nan 0.000 0.275 525 P C 0.065 177.376 177.300 0.019 0.000 1.227 525 P CA -0.153 62.970 63.100 0.037 0.000 0.781 525 P CB 1.307 32.994 31.700 -0.022 0.000 0.906 526 L N 2.181 123.417 121.223 0.022 0.000 2.630 526 L HA 0.316 4.647 4.340 -0.014 0.000 0.180 526 L C 0.862 177.750 176.870 0.030 0.000 1.221 526 L CA 0.317 55.168 54.840 0.019 0.000 0.853 526 L CB -0.233 41.821 42.059 -0.008 0.000 1.172 526 L HN 0.212 nan 8.230 nan 0.000 0.508 527 V N -4.017 115.936 119.914 0.066 0.000 3.114 527 V HA 0.501 4.613 4.120 -0.014 0.000 0.308 527 V C -1.138 174.973 176.094 0.029 0.000 1.168 527 V CA -0.904 61.423 62.300 0.044 0.000 1.015 527 V CB 1.940 33.833 31.823 0.116 0.000 1.050 527 V HN 0.128 nan 8.190 nan 0.000 0.433 528 H N 1.805 120.969 119.070 0.158 0.000 2.562 528 H HA 0.480 5.029 4.556 -0.013 0.000 0.314 528 H C -0.603 174.805 175.328 0.133 0.000 1.079 528 H CA -0.193 55.950 56.048 0.157 0.000 1.349 528 H CB 1.317 31.133 29.762 0.090 0.000 1.432 528 H HN 0.788 nan 8.280 nan 0.000 0.479 529 D N 2.615 123.185 120.400 0.283 0.000 2.362 529 D HA 0.161 4.793 4.640 -0.014 0.000 0.242 529 D C 0.285 176.646 176.300 0.100 0.000 1.132 529 D CA 0.284 54.380 54.000 0.160 0.000 0.907 529 D CB 1.518 42.394 40.800 0.128 0.000 1.195 529 D HN 0.415 nan 8.370 nan 0.000 0.429 530 K N -0.074 120.345 120.400 0.033 0.000 2.444 530 K HA 0.612 4.923 4.320 -0.014 0.000 0.252 530 K C -0.430 176.116 176.600 -0.091 0.000 0.993 530 K CA -0.754 55.520 56.287 -0.022 0.000 0.847 530 K CB 2.480 34.978 32.500 -0.003 0.000 1.340 530 K HN 0.236 nan 8.250 nan 0.000 0.446 531 T N 0.463 114.909 114.554 -0.181 0.000 2.843 531 T HA 0.537 4.878 4.350 -0.014 0.000 0.302 531 T C -1.840 172.635 174.700 -0.375 0.000 1.232 531 T CA -0.701 61.229 62.100 -0.284 0.000 1.009 531 T CB 0.841 69.474 68.868 -0.392 0.000 1.254 531 T HN 0.341 nan 8.240 nan 0.000 0.504 532 L N 4.294 125.317 121.223 -0.333 0.000 2.298 532 L HA 0.522 4.853 4.340 -0.014 0.000 0.284 532 L C -0.363 176.343 176.870 -0.274 0.000 1.013 532 L CA -0.926 53.752 54.840 -0.270 0.000 0.824 532 L CB 1.039 43.054 42.059 -0.072 0.000 1.221 532 L HN 0.615 nan 8.230 nan 0.000 0.418 533 H N 2.990 121.972 119.070 -0.145 0.000 2.463 533 H HA 0.330 4.874 4.556 -0.020 0.000 0.332 533 H C -1.064 174.314 175.328 0.084 0.000 1.127 533 H CA -0.520 55.448 56.048 -0.133 0.000 1.238 533 H CB 2.208 31.649 29.762 -0.535 0.000 1.478 533 H HN 0.351 nan 8.280 nan 0.000 0.499 534 F N 3.356 123.405 119.950 0.165 0.000 2.436 534 F HA 0.376 4.904 4.527 0.001 0.000 0.340 534 F C -0.081 175.812 175.800 0.155 0.000 1.113 534 F CA -0.886 57.196 58.000 0.137 0.000 1.022 534 F CB 0.820 39.861 39.000 0.069 0.000 1.128 534 F HN 0.485 nan 8.300 nan 0.000 0.466 535 R N 4.337 124.569 120.500 -0.446 0.000 2.439 535 R HA 0.463 4.794 4.340 -0.014 0.000 0.310 535 R C -1.119 174.762 176.300 -0.698 0.000 0.955 535 R CA -0.961 54.890 56.100 -0.414 0.000 0.853 535 R CB 0.857 30.900 30.300 -0.428 0.000 1.171 535 R HN 0.459 nan 8.270 nan 0.000 0.449 536 N N 4.240 122.565 118.700 -0.625 0.000 2.518 536 N HA 0.052 4.783 4.740 -0.014 0.000 0.266 536 N C -1.562 173.353 175.510 -0.992 0.000 1.196 536 N CA -1.456 50.994 53.050 -1.001 0.000 0.947 536 N CB 1.151 38.771 38.487 -1.445 0.000 1.098 536 N HN 0.520 nan 8.380 nan 0.000 0.450 537 P HA -0.063 nan 4.420 nan 0.000 0.226 537 P C 0.731 177.945 177.300 -0.142 0.000 1.153 537 P CA 0.995 63.918 63.100 -0.294 0.000 0.777 537 P CB -0.091 31.598 31.700 -0.020 0.000 0.794 538 W N -0.452 120.826 121.300 -0.038 0.000 3.256 538 W HA 0.348 5.006 4.660 -0.004 0.000 0.269 538 W C -0.211 176.288 176.519 -0.034 0.000 1.310 538 W CA -0.417 56.912 57.345 -0.027 0.000 1.673 538 W CB -1.169 28.277 29.460 -0.022 0.000 1.115 538 W HN -0.391 nan 8.180 nan 0.000 0.686 539 V N 3.314 123.087 119.914 -0.236 0.000 2.498 539 V HA 0.312 4.423 4.120 -0.014 0.000 0.279 539 V C 0.848 176.879 176.094 -0.105 0.000 1.048 539 V CA -0.298 61.914 62.300 -0.146 0.000 0.967 539 V CB 0.599 32.258 31.823 -0.273 0.000 0.988 539 V HN 0.209 nan 8.190 nan 0.000 0.473 540 T N 1.547 116.078 114.554 -0.037 0.000 2.928 540 T HA 0.387 4.728 4.350 -0.014 0.000 0.284 540 T C 0.275 174.958 174.700 -0.027 0.000 1.008 540 T CA -0.658 61.429 62.100 -0.021 0.000 1.057 540 T CB 0.877 69.756 68.868 0.019 0.000 1.018 540 T HN 0.721 nan 8.240 nan 0.000 0.493 541 N N -0.366 118.330 118.700 -0.007 0.000 2.738 541 N HA -0.124 4.608 4.740 -0.014 0.000 0.249 541 N C -0.702 174.842 175.510 0.056 0.000 1.047 541 N CA 0.332 53.407 53.050 0.042 0.000 0.707 541 N CB -1.668 36.865 38.487 0.076 0.000 0.937 541 N HN 0.598 nan 8.380 nan 0.000 0.545 542 V N 1.568 121.449 119.914 -0.055 0.000 2.432 542 V HA 0.522 4.634 4.120 -0.014 0.000 0.275 542 V C 0.161 176.238 176.094 -0.029 0.000 1.043 542 V CA -0.289 61.877 62.300 -0.222 0.000 0.925 542 V CB 0.403 31.922 31.823 -0.508 0.000 0.985 542 V HN 0.342 nan 8.190 nan 0.000 0.466 543 Y N 2.171 122.400 120.300 -0.118 0.000 2.552 543 Y HA 0.739 5.276 4.550 -0.022 0.000 0.337 543 Y C -0.944 175.102 175.900 0.242 0.000 1.094 543 Y CA -1.531 56.596 58.100 0.045 0.000 1.028 543 Y CB 1.303 39.771 38.460 0.012 0.000 1.321 543 Y HN 0.192 nan 8.280 nan 0.000 0.456 544 V N 4.363 124.438 119.914 0.268 0.000 2.439 544 V HA 0.035 4.147 4.120 -0.014 0.000 0.271 544 V C 0.350 176.524 176.094 0.134 0.000 1.040 544 V CA -0.083 62.306 62.300 0.148 0.000 1.002 544 V CB -0.228 31.672 31.823 0.130 0.000 1.000 544 V HN 0.825 nan 8.190 nan 0.000 0.477 545 H N 9.521 128.567 119.070 -0.041 0.000 2.899 545 H HA 0.147 4.701 4.556 -0.004 0.000 0.303 545 H C -1.505 173.946 175.328 0.206 0.000 1.042 545 H CA -1.825 54.315 56.048 0.153 0.000 1.479 545 H CB 1.915 31.769 29.762 0.152 0.000 1.493 545 H HN 0.404 nan 8.280 nan 0.000 0.534 546 P HA -0.103 nan 4.420 nan 0.000 0.220 546 P C 0.910 178.293 177.300 0.139 0.000 1.148 546 P CA 1.148 64.310 63.100 0.105 0.000 0.803 546 P CB 0.157 31.864 31.700 0.011 0.000 0.782 547 A N -2.192 120.832 122.820 0.339 0.000 2.167 547 A HA 0.082 4.394 4.320 -0.014 0.000 0.214 547 A C 1.486 178.813 177.584 -0.428 0.000 1.151 547 A CA 0.688 52.619 52.037 -0.177 0.000 0.735 547 A CB -1.038 17.580 19.000 -0.637 0.000 0.802 547 A HN 0.124 nan 8.150 nan 0.000 0.467 548 F N -2.279 117.686 119.950 0.026 0.000 2.699 548 F HA 0.353 4.869 4.527 -0.019 0.000 0.295 548 F C 1.883 177.702 175.800 0.031 0.000 1.052 548 F CA 0.511 58.505 58.000 -0.010 0.000 1.239 548 F CB 0.217 39.204 39.000 -0.021 0.000 1.018 548 F HN 0.287 nan 8.300 nan 0.000 0.627 549 G N 1.652 110.584 108.800 0.221 0.000 2.168 549 G HA2 -0.285 3.666 3.960 -0.014 0.000 0.263 549 G HA3 -0.285 3.666 3.960 -0.014 0.000 0.263 549 G C -0.014 174.988 174.900 0.169 0.000 0.977 549 G CA 0.507 45.705 45.100 0.162 0.000 0.659 549 G HN 0.274 nan 8.290 nan 0.000 0.533 550 L N -1.180 120.104 121.223 0.101 0.000 2.333 550 L HA 0.553 4.885 4.340 -0.014 0.000 0.263 550 L C 0.562 177.303 176.870 -0.216 0.000 1.014 550 L CA -1.700 53.032 54.840 -0.180 0.000 0.820 550 L CB 1.293 43.292 42.059 -0.100 0.000 1.352 550 L HN 0.104 nan 8.230 nan 0.000 0.421 551 Y N -0.067 120.012 120.300 -0.368 0.000 2.702 551 Y HA -0.101 4.438 4.550 -0.019 0.000 0.336 551 Y C 0.561 176.230 175.900 -0.385 0.000 1.235 551 Y CA -0.273 57.607 58.100 -0.366 0.000 1.492 551 Y CB 0.436 38.693 38.460 -0.339 0.000 1.308 551 Y HN 0.467 nan 8.280 nan 0.000 0.589 552 D N 3.929 124.107 120.400 -0.369 0.000 2.470 552 D HA 0.048 4.680 4.640 -0.014 0.000 0.226 552 D C 0.929 177.104 176.300 -0.209 0.000 1.196 552 D CA 0.080 53.869 54.000 -0.351 0.000 0.979 552 D CB 0.118 40.670 40.800 -0.413 0.000 1.059 552 D HN 0.343 nan 8.370 nan 0.000 0.515 553 I N 2.899 123.371 120.570 -0.163 0.000 2.194 553 I HA -0.329 3.832 4.170 -0.014 0.000 0.246 553 I C 2.254 178.313 176.117 -0.096 0.000 1.093 553 I CA 1.322 62.554 61.300 -0.114 0.000 1.355 553 I CB -1.234 36.709 38.000 -0.095 0.000 1.046 553 I HN 0.534 nan 8.210 nan 0.000 0.413 554 Q N 1.781 121.530 119.800 -0.086 0.000 2.291 554 Q HA -0.080 4.252 4.340 -0.014 0.000 0.206 554 Q C 1.942 177.953 176.000 0.019 0.000 0.976 554 Q CA 2.003 57.778 55.803 -0.046 0.000 0.875 554 Q CB -0.824 27.903 28.738 -0.020 0.000 0.927 554 Q HN 0.427 nan 8.270 nan 0.000 0.450 555 A N 0.047 122.898 122.820 0.052 0.000 2.169 555 A HA 0.229 4.540 4.320 -0.014 0.000 0.212 555 A C 0.792 178.421 177.584 0.075 0.000 1.153 555 A CA 0.036 52.148 52.037 0.125 0.000 0.756 555 A CB -0.274 18.902 19.000 0.293 0.000 0.813 555 A HN 0.420 nan 8.150 nan 0.000 0.471 556 M N -0.281 119.326 119.600 0.011 0.000 2.242 556 M HA 0.436 4.908 4.480 -0.014 0.000 0.344 556 M C 0.736 177.041 176.300 0.008 0.000 1.140 556 M CA 0.284 55.575 55.300 -0.015 0.000 1.160 556 M CB 1.121 33.681 32.600 -0.067 0.000 1.491 556 M HN 0.268 nan 8.290 nan 0.000 0.459 557 G N 1.724 110.533 108.800 0.017 0.000 3.176 557 G HA2 0.755 4.706 3.960 -0.014 0.000 0.272 557 G HA3 0.755 4.706 3.960 -0.014 0.000 0.272 557 G C -1.670 173.261 174.900 0.052 0.000 1.349 557 G CA -0.673 44.450 45.100 0.039 0.000 0.953 557 G HN 0.445 nan 8.290 nan 0.000 0.559 558 L N 0.548 121.816 121.223 0.074 0.000 2.365 558 L HA 0.685 5.016 4.340 -0.014 0.000 0.273 558 L C 0.791 177.722 176.870 0.101 0.000 1.000 558 L CA -0.962 53.947 54.840 0.115 0.000 0.819 558 L CB 1.031 43.156 42.059 0.109 0.000 1.284 558 L HN 0.746 nan 8.230 nan 0.000 0.418 559 A N 2.314 125.215 122.820 0.136 0.000 2.407 559 A HA 0.289 4.601 4.320 -0.014 0.000 0.248 559 A C 0.521 178.147 177.584 0.069 0.000 1.082 559 A CA -0.157 51.943 52.037 0.104 0.000 0.785 559 A CB 0.136 19.219 19.000 0.138 0.000 1.020 559 A HN 0.787 nan 8.150 nan 0.000 0.489 560 E N 0.000 120.228 120.200 0.047 0.000 2.725 560 E HA 0.000 4.341 4.350 -0.014 0.000 0.291 560 E CA 0.000 56.415 56.400 0.026 0.000 0.976 560 E CB 0.000 29.714 29.700 0.023 0.000 0.812 560 E HN 0.000 nan 8.360 nan 0.000 0.440