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 2zxg_1_A DATA FIRST_RESID 5 DATA SEQUENCE PQAKYRHDYR APDYQITDID LTFDLDAQKT VVTAVSQAVR HGASDAPLRL DATA SEQUENCE NGEDLKLVSV HINDEPWTAW KEEEGALVIS NLPERFTLKI INEISPAANT DATA SEQUENCE ALEGLYQSGD ALCTQCEAEG FRHITYYLDR PDVLARFTTK IIADKIKYPF DATA SEQUENCE LLSNGNRVAQ GELENGRHWV QWQDPFPKPC YLFALVAGDF DVLRDTFTTR DATA SEQUENCE SGREVALELY VDRGNLDRAP WAMTSLKNSM KWDEERFGLE YDLDIYMIVA DATA SEQUENCE VDFFNMGAME NKGLNIFNSK YVLARTDTAT DKDYLDIERV IGHEYFHNWT DATA SEQUENCE GNRVTCRDWF QLSLKEGLTV FRDQEFSSDL GSRAVNRINN VRTMRGLQFA DATA SEQUENCE EDASPMAHPI RPDMVIEMNN FYTLTVYEKG AEVIRMIHTL LGEENFQKGM DATA SEQUENCE QLYFERHDGS AATCDDFVQA MEDASNVDLS HFRRWYSQSG TPIVTVKDDY DATA SEQUENCE NPETEQYTLT ISQRTPATPD QAEKQPLHIP FAIELYDNEG KVIPLQKGGH DATA SEQUENCE PVNSVLNVTQ AEQTFVFDNV YFQPVPALLC EFSAPVKLEY KWSDQQLTFL DATA SEQUENCE MRHARNDFSR WDAAQSLLAT YIKLNVARHQ QGQPLSLPVH VADAFRAVLL DATA SEQUENCE DEKIDPALAA EILTLPSVNE MAELFDIIDP IAIAEVREAL TRTLATELAD DATA SEQUENCE ELLAIYNANY QSEYRVEHED IAKRTLRNAC LRFLAFGETH LADVLVSKQF DATA SEQUENCE HEANNMTDAL AALSAAVAAQ LPCRDALMQE YDDKWHQNGL VMDKWFILQA DATA SEQUENCE TSPAANVLET VRGLLQHRSF TMSNPNRIRS LIGAFAGSNP AAFHAEDGSG DATA SEQUENCE YLFLVEMLTD LNSRNPQVAS RLIEPLIRLK RYDAKRQEKM RAALEQLKGL DATA SEQUENCE ENLSGDLYEK ITKALA 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.317 177.300 0.029 0.000 1.155 5 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 5 P CB 0.000 31.710 31.700 0.016 0.000 0.726 6 Q N 0.263 120.098 119.800 0.060 0.000 2.312 6 Q HA 0.645 4.986 4.340 0.001 0.000 0.236 6 Q C 0.166 176.219 176.000 0.088 0.000 0.965 6 Q CA -0.205 55.656 55.803 0.098 0.000 0.894 6 Q CB 1.465 30.271 28.738 0.113 0.000 1.225 6 Q HN 0.671 nan 8.270 nan 0.000 0.478 7 A N 2.053 124.922 122.820 0.082 0.000 2.445 7 A HA 0.216 4.537 4.320 0.001 0.000 0.242 7 A C -0.170 177.334 177.584 -0.132 0.000 1.075 7 A CA 0.096 52.091 52.037 -0.070 0.000 0.777 7 A CB 0.195 19.083 19.000 -0.187 0.000 1.013 7 A HN 0.555 nan 8.150 nan 0.000 0.493 8 K N 0.354 120.639 120.400 -0.192 0.000 2.203 8 K HA 0.565 4.886 4.320 0.001 0.000 0.251 8 K C -1.706 174.766 176.600 -0.213 0.000 0.944 8 K CA -0.145 56.121 56.287 -0.034 0.000 0.829 8 K CB 1.617 34.211 32.500 0.157 0.000 1.125 8 K HN 0.648 nan 8.250 nan 0.000 0.430 9 Y N 0.563 120.870 120.300 0.011 0.000 2.409 9 Y HA 0.278 4.829 4.550 0.001 0.000 0.343 9 Y C 1.234 176.634 175.900 -0.834 0.000 0.973 9 Y CA -0.820 57.010 58.100 -0.449 0.000 1.064 9 Y CB 1.833 39.879 38.460 -0.691 0.000 1.207 9 Y HN 0.560 nan 8.280 nan 0.000 0.452 10 R N 0.791 120.495 120.500 -1.327 0.000 2.105 10 R HA -0.226 4.115 4.340 0.001 0.000 0.239 10 R C 1.377 177.428 176.300 -0.415 0.000 1.135 10 R CA 2.362 57.678 56.100 -1.307 0.000 0.967 10 R CB -0.203 29.475 30.300 -1.037 0.000 0.861 10 R HN 0.978 nan 8.270 nan 0.000 0.442 11 H N -1.380 117.600 119.070 -0.151 0.000 2.559 11 H HA 0.069 4.625 4.556 0.001 0.000 0.273 11 H C 0.607 175.946 175.328 0.019 0.000 1.000 11 H CA 0.878 56.903 56.048 -0.039 0.000 1.195 11 H CB -0.170 29.571 29.762 -0.034 0.000 1.368 11 H HN 0.206 nan 8.280 nan 0.000 0.592 12 D N -0.146 120.336 120.400 0.136 0.000 2.339 12 D HA -0.044 4.597 4.640 0.001 0.000 0.217 12 D C -0.201 176.179 176.300 0.134 0.000 1.050 12 D CA -0.111 53.994 54.000 0.175 0.000 0.856 12 D CB -0.566 40.338 40.800 0.174 0.000 0.922 12 D HN 0.438 nan 8.370 nan 0.000 0.518 13 Y N 2.329 122.662 120.300 0.055 0.000 2.810 13 Y HA -0.038 4.512 4.550 0.001 0.000 0.332 13 Y C 0.356 176.294 175.900 0.064 0.000 1.243 13 Y CA 0.347 58.490 58.100 0.071 0.000 1.537 13 Y CB 0.291 38.785 38.460 0.056 0.000 1.265 13 Y HN -0.225 nan 8.280 nan 0.000 0.572 14 R N 4.899 124.870 120.500 -0.883 0.000 2.604 14 R HA 0.691 5.032 4.340 0.001 0.000 0.281 14 R C -1.093 174.690 176.300 -0.863 0.000 1.020 14 R CA -0.635 55.079 56.100 -0.645 0.000 0.899 14 R CB 1.243 31.392 30.300 -0.251 0.000 1.205 14 R HN 0.872 nan 8.270 nan 0.000 0.450 15 A N 5.041 127.573 122.820 -0.481 0.000 2.555 15 A HA 0.241 4.562 4.320 0.001 0.000 0.233 15 A C -2.010 175.478 177.584 -0.160 0.000 1.060 15 A CA -0.753 51.158 52.037 -0.209 0.000 0.759 15 A CB -0.330 18.652 19.000 -0.029 0.000 0.995 15 A HN 0.544 nan 8.150 nan 0.000 0.506 16 P HA 0.117 nan 4.420 nan 0.000 0.271 16 P C -0.296 176.982 177.300 -0.036 0.000 1.216 16 P CA -0.216 62.852 63.100 -0.053 0.000 0.776 16 P CB 0.734 32.414 31.700 -0.033 0.000 0.881 17 D N 0.645 121.054 120.400 0.015 0.000 2.219 17 D HA -0.080 4.560 4.640 0.001 0.000 0.205 17 D C 0.087 176.270 176.300 -0.195 0.000 0.970 17 D CA 1.788 55.760 54.000 -0.047 0.000 0.851 17 D CB -0.116 40.707 40.800 0.038 0.000 0.943 17 D HN 0.449 nan 8.370 nan 0.000 0.488 18 Y N -0.189 120.133 120.300 0.036 0.000 2.477 18 Y HA 0.347 4.898 4.550 0.001 0.000 0.347 18 Y C 0.336 176.216 175.900 -0.033 0.000 0.981 18 Y CA -0.993 57.137 58.100 0.049 0.000 1.033 18 Y CB 1.581 40.062 38.460 0.036 0.000 1.245 18 Y HN -0.366 nan 8.280 nan 0.000 0.455 19 Q N 2.423 122.305 119.800 0.136 0.000 2.257 19 Q HA 0.573 4.914 4.340 0.001 0.000 0.262 19 Q C -1.068 174.925 176.000 -0.012 0.000 0.997 19 Q CA -0.748 55.056 55.803 0.003 0.000 0.873 19 Q CB 2.995 31.704 28.738 -0.048 0.000 1.312 19 Q HN 0.695 nan 8.270 nan 0.000 0.450 20 I N 1.104 121.633 120.570 -0.068 0.000 2.389 20 I HA 0.152 4.323 4.170 0.001 0.000 0.288 20 I C 1.245 177.340 176.117 -0.036 0.000 0.999 20 I CA -0.138 61.108 61.300 -0.090 0.000 1.129 20 I CB 1.899 39.813 38.000 -0.142 0.000 1.288 20 I HN 0.713 nan 8.210 nan 0.000 0.444 21 T N 0.016 114.544 114.554 -0.043 0.000 3.044 21 T HA 0.215 4.566 4.350 0.001 0.000 0.255 21 T C 0.161 174.846 174.700 -0.026 0.000 1.073 21 T CA 0.354 62.444 62.100 -0.017 0.000 1.125 21 T CB -0.064 68.794 68.868 -0.016 0.000 0.908 21 T HN 0.515 nan 8.240 nan 0.000 0.480 22 D N -0.162 120.200 120.400 -0.064 0.000 2.927 22 D HA 0.620 5.261 4.640 0.001 0.000 0.219 22 D C -1.742 174.470 176.300 -0.146 0.000 1.248 22 D CA -0.464 53.484 54.000 -0.086 0.000 0.861 22 D CB 2.528 43.292 40.800 -0.060 0.000 1.677 22 D HN 0.315 nan 8.370 nan 0.000 0.511 23 I N 1.106 121.526 120.570 -0.249 0.000 2.569 23 I HA 0.353 4.524 4.170 0.001 0.000 0.290 23 I C -1.619 174.365 176.117 -0.222 0.000 1.088 23 I CA -0.618 60.502 61.300 -0.299 0.000 1.047 23 I CB 1.505 39.186 38.000 -0.532 0.000 1.237 23 I HN 0.224 nan 8.210 nan 0.000 0.421 24 D N 8.738 129.064 120.400 -0.123 0.000 2.349 24 D HA 0.447 5.087 4.640 0.001 0.000 0.232 24 D C -0.642 175.625 176.300 -0.055 0.000 1.071 24 D CA 0.005 53.975 54.000 -0.049 0.000 0.832 24 D CB 2.244 43.023 40.800 -0.035 0.000 1.086 24 D HN 0.385 nan 8.370 nan 0.000 0.504 25 L N 1.480 122.710 121.223 0.012 0.000 2.325 25 L HA 0.463 4.804 4.340 0.001 0.000 0.278 25 L C 0.333 177.215 176.870 0.020 0.000 1.023 25 L CA -0.378 54.444 54.840 -0.030 0.000 0.811 25 L CB 1.816 43.922 42.059 0.078 0.000 1.249 25 L HN 0.143 nan 8.230 nan 0.000 0.431 26 T N 2.193 116.669 114.554 -0.131 0.000 2.841 26 T HA 0.542 4.892 4.350 0.001 0.000 0.285 26 T C -0.824 173.760 174.700 -0.192 0.000 0.991 26 T CA -0.325 61.744 62.100 -0.051 0.000 0.966 26 T CB 0.790 69.609 68.868 -0.082 0.000 0.962 26 T HN 0.095 nan 8.240 nan 0.000 0.438 27 F N 2.027 121.996 119.950 0.033 0.000 2.402 27 F HA 0.308 4.835 4.527 0.001 0.000 0.355 27 F C 0.581 176.386 175.800 0.009 0.000 1.123 27 F CA -0.938 57.074 58.000 0.020 0.000 1.021 27 F CB 1.214 40.242 39.000 0.047 0.000 1.160 27 F HN 0.440 nan 8.300 nan 0.000 0.451 28 D N 5.791 126.265 120.400 0.124 0.000 2.468 28 D HA 0.188 4.829 4.640 0.001 0.000 0.218 28 D C -0.056 176.307 176.300 0.106 0.000 1.155 28 D CA 0.096 54.152 54.000 0.093 0.000 0.924 28 D CB 1.080 41.904 40.800 0.040 0.000 1.029 28 D HN 0.368 nan 8.370 nan 0.000 0.515 29 L N 2.188 123.471 121.223 0.099 0.000 2.331 29 L HA 0.244 4.584 4.340 0.001 0.000 0.278 29 L C 0.170 177.056 176.870 0.027 0.000 1.106 29 L CA 0.161 55.018 54.840 0.028 0.000 0.824 29 L CB 0.893 42.881 42.059 -0.118 0.000 1.142 29 L HN 0.329 nan 8.230 nan 0.000 0.443 30 D N 1.470 121.888 120.400 0.030 0.000 2.769 30 D HA 0.362 5.003 4.640 0.001 0.000 0.219 30 D C 0.263 176.605 176.300 0.071 0.000 1.245 30 D CA -0.221 53.830 54.000 0.084 0.000 0.801 30 D CB 1.607 42.461 40.800 0.090 0.000 1.598 30 D HN 0.436 nan 8.370 nan 0.000 0.485 31 A N 2.072 124.961 122.820 0.115 0.000 1.933 31 A HA -0.175 4.145 4.320 0.001 0.000 0.218 31 A C 1.723 179.345 177.584 0.062 0.000 1.175 31 A CA 1.373 53.464 52.037 0.090 0.000 0.628 31 A CB -0.311 18.760 19.000 0.118 0.000 0.814 31 A HN 0.598 nan 8.150 nan 0.000 0.444 32 Q N -0.904 118.932 119.800 0.061 0.000 2.123 32 Q HA 0.088 4.428 4.340 0.001 0.000 0.196 32 Q C 0.767 176.791 176.000 0.040 0.000 0.958 32 Q CA 1.114 56.944 55.803 0.045 0.000 0.841 32 Q CB 0.073 28.836 28.738 0.041 0.000 0.915 32 Q HN 0.659 nan 8.270 nan 0.000 0.455 33 K N 0.671 121.097 120.400 0.044 0.000 2.687 33 K HA 0.281 4.601 4.320 0.001 0.000 0.249 33 K C -1.388 175.237 176.600 0.042 0.000 0.994 33 K CA 0.056 56.365 56.287 0.037 0.000 0.913 33 K CB 1.335 33.853 32.500 0.031 0.000 1.202 33 K HN -0.162 nan 8.250 nan 0.000 0.460 34 T N 2.783 117.363 114.554 0.044 0.000 2.795 34 T HA 0.311 4.662 4.350 0.001 0.000 0.282 34 T C -0.568 174.151 174.700 0.030 0.000 0.980 34 T CA -0.451 61.686 62.100 0.061 0.000 1.012 34 T CB 1.306 70.237 68.868 0.105 0.000 0.936 34 T HN 0.242 nan 8.240 nan 0.000 0.457 35 V N 4.491 124.415 119.914 0.017 0.000 2.370 35 V HA 0.410 4.531 4.120 0.001 0.000 0.283 35 V C -0.046 175.983 176.094 -0.109 0.000 1.023 35 V CA -0.727 61.550 62.300 -0.038 0.000 0.857 35 V CB 1.471 33.276 31.823 -0.028 0.000 0.985 35 V HN 0.664 nan 8.190 nan 0.000 0.443 36 V N 4.042 123.838 119.914 -0.197 0.000 2.398 36 V HA 0.480 4.601 4.120 0.001 0.000 0.286 36 V C 0.264 176.182 176.094 -0.294 0.000 1.026 36 V CA -0.258 61.802 62.300 -0.400 0.000 0.868 36 V CB 1.871 33.400 31.823 -0.491 0.000 0.982 36 V HN 0.927 nan 8.190 nan 0.000 0.443 37 T N 4.339 118.712 114.554 -0.303 0.000 2.786 37 T HA 0.715 5.066 4.350 0.001 0.000 0.283 37 T C -0.124 174.447 174.700 -0.215 0.000 0.992 37 T CA -0.310 61.669 62.100 -0.202 0.000 0.954 37 T CB 1.473 70.250 68.868 -0.151 0.000 0.934 37 T HN 0.903 nan 8.240 nan 0.000 0.440 38 A N 3.134 125.857 122.820 -0.161 0.000 2.332 38 A HA 0.706 5.027 4.320 0.001 0.000 0.300 38 A C -0.617 176.919 177.584 -0.081 0.000 1.153 38 A CA -0.639 51.318 52.037 -0.134 0.000 0.764 38 A CB 0.927 19.858 19.000 -0.116 0.000 1.174 38 A HN 0.666 nan 8.150 nan 0.000 0.467 39 V N 2.817 122.682 119.914 -0.082 0.000 2.313 39 V HA 0.432 4.553 4.120 0.001 0.000 0.278 39 V C 0.107 176.160 176.094 -0.068 0.000 1.017 39 V CA -0.246 62.015 62.300 -0.065 0.000 0.823 39 V CB 1.087 32.870 31.823 -0.067 0.000 1.010 39 V HN 0.843 nan 8.190 nan 0.000 0.443 40 S N 4.337 120.004 115.700 -0.054 0.000 2.472 40 S HA 0.510 4.981 4.470 0.001 0.000 0.303 40 S C -0.549 173.978 174.600 -0.122 0.000 1.099 40 S CA -0.776 57.382 58.200 -0.070 0.000 1.077 40 S CB 1.576 64.765 63.200 -0.019 0.000 1.031 40 S HN 0.654 nan 8.310 nan 0.000 0.487 41 Q N 1.993 121.710 119.800 -0.139 0.000 2.360 41 Q HA 0.577 4.918 4.340 0.001 0.000 0.254 41 Q C -0.412 175.433 176.000 -0.257 0.000 0.975 41 Q CA -0.255 55.436 55.803 -0.186 0.000 0.912 41 Q CB 1.272 29.937 28.738 -0.122 0.000 1.212 41 Q HN 0.714 nan 8.270 nan 0.000 0.452 42 A N 2.228 124.753 122.820 -0.491 0.000 2.325 42 A HA 0.806 5.126 4.320 0.001 0.000 0.333 42 A C -0.646 176.658 177.584 -0.465 0.000 1.155 42 A CA -0.611 51.088 52.037 -0.562 0.000 0.814 42 A CB 1.325 19.750 19.000 -0.959 0.000 1.206 42 A HN 0.423 nan 8.150 nan 0.000 0.482 43 V N 1.953 121.783 119.914 -0.139 0.000 2.569 43 V HA 0.405 4.525 4.120 0.001 0.000 0.301 43 V C 0.063 176.217 176.094 0.101 0.000 1.044 43 V CA -0.631 61.652 62.300 -0.029 0.000 0.874 43 V CB 1.579 33.397 31.823 -0.009 0.000 1.002 43 V HN 1.008 nan 8.190 nan 0.000 0.424 44 R N 2.754 123.257 120.500 0.005 0.000 2.389 44 R HA 0.347 4.687 4.340 0.001 0.000 0.295 44 R C 0.471 176.626 176.300 -0.241 0.000 1.075 44 R CA -0.052 55.879 56.100 -0.282 0.000 1.005 44 R CB 0.416 30.515 30.300 -0.335 0.000 0.987 44 R HN 0.852 nan 8.270 nan 0.000 0.452 45 H N 1.942 120.848 119.070 -0.273 0.000 2.788 45 H HA 0.136 4.693 4.556 0.001 0.000 0.262 45 H C 0.932 176.168 175.328 -0.153 0.000 0.968 45 H CA 0.415 56.370 56.048 -0.154 0.000 1.218 45 H CB 1.159 30.862 29.762 -0.098 0.000 1.443 45 H HN 0.745 nan 8.280 nan 0.000 0.478 46 G N 0.733 109.468 108.800 -0.108 0.000 2.531 46 G HA2 0.430 4.390 3.960 0.001 0.000 0.253 46 G HA3 0.430 4.390 3.960 0.001 0.000 0.253 46 G C -0.192 174.648 174.900 -0.099 0.000 1.439 46 G CA 0.047 45.091 45.100 -0.093 0.000 1.056 46 G HN 0.298 nan 8.290 nan 0.000 0.555 47 A N -0.695 122.089 122.820 -0.059 0.000 2.498 47 A HA 0.405 4.726 4.320 0.001 0.000 0.239 47 A C 1.806 179.371 177.584 -0.033 0.000 1.068 47 A CA 0.706 52.723 52.037 -0.032 0.000 0.766 47 A CB 0.250 19.246 19.000 -0.006 0.000 1.003 47 A HN 1.408 nan 8.150 nan 0.000 0.497 48 S N 0.719 116.411 115.700 -0.014 0.000 2.442 48 S HA -0.150 4.321 4.470 0.001 0.000 0.236 48 S C 0.877 175.502 174.600 0.043 0.000 1.007 48 S CA 1.249 59.452 58.200 0.006 0.000 0.965 48 S CB -0.295 62.911 63.200 0.011 0.000 0.773 48 S HN 0.844 nan 8.310 nan 0.000 0.504 49 D N 1.701 122.126 120.400 0.042 0.000 2.339 49 D HA 0.310 4.951 4.640 0.001 0.000 0.217 49 D C 0.493 176.844 176.300 0.086 0.000 1.050 49 D CA 0.122 54.159 54.000 0.060 0.000 0.856 49 D CB -0.314 40.512 40.800 0.042 0.000 0.922 49 D HN 0.491 nan 8.370 nan 0.000 0.518 50 A N 1.985 124.863 122.820 0.097 0.000 2.450 50 A HA 0.465 4.786 4.320 0.001 0.000 0.255 50 A C -2.138 175.605 177.584 0.265 0.000 1.096 50 A CA -1.008 51.116 52.037 0.144 0.000 0.778 50 A CB 0.148 19.210 19.000 0.104 0.000 1.031 50 A HN 0.120 nan 8.150 nan 0.000 0.494 51 P HA 0.294 nan 4.420 nan 0.000 0.276 51 P C -0.711 176.695 177.300 0.177 0.000 1.244 51 P CA -0.531 62.669 63.100 0.166 0.000 0.801 51 P CB 0.838 32.596 31.700 0.098 0.000 1.006 52 L N 2.823 123.975 121.223 -0.118 0.000 2.281 52 L HA 0.290 4.631 4.340 0.001 0.000 0.285 52 L C 0.162 176.961 176.870 -0.119 0.000 1.074 52 L CA 0.035 54.667 54.840 -0.346 0.000 0.817 52 L CB -0.083 41.559 42.059 -0.694 0.000 1.168 52 L HN 0.245 nan 8.230 nan 0.000 0.434 53 R N 6.520 127.002 120.500 -0.030 0.000 2.246 53 R HA 0.518 4.859 4.340 0.001 0.000 0.332 53 R C -1.213 175.089 176.300 0.004 0.000 0.974 53 R CA -0.586 55.516 56.100 0.004 0.000 0.837 53 R CB 0.851 31.181 30.300 0.050 0.000 1.145 53 R HN 0.615 nan 8.270 nan 0.000 0.467 54 L N 3.033 124.253 121.223 -0.005 0.000 2.309 54 L HA 0.371 4.712 4.340 0.001 0.000 0.282 54 L C -0.093 176.880 176.870 0.173 0.000 1.036 54 L CA -0.919 53.957 54.840 0.060 0.000 0.806 54 L CB 1.553 43.638 42.059 0.043 0.000 1.220 54 L HN 0.526 nan 8.230 nan 0.000 0.429 55 N N 1.136 119.959 118.700 0.206 0.000 2.529 55 N HA 0.607 5.347 4.740 0.001 0.000 0.278 55 N C -0.178 175.471 175.510 0.232 0.000 1.146 55 N CA -0.195 52.981 53.050 0.210 0.000 0.980 55 N CB 1.304 39.900 38.487 0.181 0.000 1.124 55 N HN 0.753 nan 8.380 nan 0.000 0.458 56 G N 0.432 109.309 108.800 0.128 0.000 2.759 56 G HA2 0.408 4.369 3.960 0.001 0.000 0.297 56 G HA3 0.408 4.369 3.960 0.001 0.000 0.297 56 G C -1.607 173.138 174.900 -0.258 0.000 1.434 56 G CA -0.533 44.416 45.100 -0.253 0.000 0.980 56 G HN 0.326 nan 8.290 nan 0.000 0.531 57 E N 1.804 121.744 120.200 -0.434 0.000 2.260 57 E HA 0.319 4.669 4.350 0.001 0.000 0.266 57 E C -0.989 175.386 176.600 -0.375 0.000 0.887 57 E CA -0.570 55.557 56.400 -0.455 0.000 0.777 57 E CB 2.068 31.252 29.700 -0.860 0.000 1.205 57 E HN 0.595 nan 8.360 nan 0.000 0.414 58 D N 1.862 122.144 120.400 -0.196 0.000 2.699 58 D HA -0.188 4.452 4.640 0.001 0.000 0.239 58 D C -0.448 175.777 176.300 -0.125 0.000 1.136 58 D CA 0.899 54.837 54.000 -0.102 0.000 0.668 58 D CB -1.131 39.655 40.800 -0.023 0.000 1.060 58 D HN 0.325 nan 8.370 nan 0.000 0.429 59 L N -0.428 120.684 121.223 -0.184 0.000 2.334 59 L HA 0.429 4.769 4.340 0.001 0.000 0.273 59 L C 0.773 177.588 176.870 -0.093 0.000 1.013 59 L CA -0.875 53.841 54.840 -0.207 0.000 0.816 59 L CB 2.101 43.885 42.059 -0.459 0.000 1.278 59 L HN -0.168 nan 8.230 nan 0.000 0.431 60 K N 3.040 123.405 120.400 -0.058 0.000 2.299 60 K HA 0.330 4.651 4.320 0.001 0.000 0.268 60 K C -0.897 175.706 176.600 0.005 0.000 1.075 60 K CA -0.788 55.496 56.287 -0.006 0.000 0.936 60 K CB 0.980 33.480 32.500 -0.001 0.000 1.228 60 K HN 0.386 nan 8.250 nan 0.000 0.454 61 L N 5.488 126.743 121.223 0.052 0.000 2.462 61 L HA 0.035 4.375 4.340 0.001 0.000 0.272 61 L C 0.353 177.228 176.870 0.009 0.000 1.166 61 L CA 0.554 55.420 54.840 0.044 0.000 0.880 61 L CB 1.332 43.418 42.059 0.044 0.000 1.142 61 L HN 0.592 nan 8.230 nan 0.000 0.473 62 V N 2.688 122.595 119.914 -0.012 0.000 2.690 62 V HA 0.288 4.409 4.120 0.001 0.000 0.240 62 V C 0.604 176.698 176.094 -0.001 0.000 1.078 62 V CA 1.068 63.370 62.300 0.003 0.000 1.102 62 V CB 0.195 32.019 31.823 0.002 0.000 0.800 62 V HN 0.941 nan 8.190 nan 0.000 0.479 63 S N -1.393 114.287 115.700 -0.033 0.000 2.567 63 S HA 0.694 5.164 4.470 0.001 0.000 0.270 63 S C -1.436 173.094 174.600 -0.116 0.000 1.152 63 S CA -0.637 57.537 58.200 -0.044 0.000 0.835 63 S CB 2.247 65.508 63.200 0.102 0.000 1.115 63 S HN -0.014 nan 8.310 nan 0.000 0.459 64 V N 2.813 122.596 119.914 -0.219 0.000 2.525 64 V HA 0.581 4.701 4.120 0.001 0.000 0.299 64 V C -0.913 175.060 176.094 -0.202 0.000 1.034 64 V CA -0.410 61.749 62.300 -0.235 0.000 0.863 64 V CB 1.362 32.874 31.823 -0.520 0.000 0.999 64 V HN 0.989 nan 8.190 nan 0.000 0.423 65 H N 4.866 123.921 119.070 -0.026 0.000 2.690 65 H HA 0.594 5.151 4.556 0.001 0.000 0.368 65 H C -1.277 174.020 175.328 -0.051 0.000 1.150 65 H CA -0.799 55.270 56.048 0.034 0.000 1.174 65 H CB 3.030 32.810 29.762 0.030 0.000 1.684 65 H HN 0.343 nan 8.280 nan 0.000 0.538 66 I N 2.624 123.228 120.570 0.056 0.000 2.410 66 I HA 0.038 4.208 4.170 0.001 0.000 0.286 66 I C 0.166 176.302 176.117 0.030 0.000 1.009 66 I CA -0.658 60.553 61.300 -0.149 0.000 1.111 66 I CB 1.008 38.526 38.000 -0.804 0.000 1.262 66 I HN 0.680 nan 8.210 nan 0.000 0.443 67 N N 5.195 123.932 118.700 0.062 0.000 2.727 67 N HA -0.216 4.525 4.740 0.001 0.000 0.249 67 N C 0.207 175.772 175.510 0.092 0.000 1.048 67 N CA 1.174 54.270 53.050 0.077 0.000 0.714 67 N CB -0.761 37.776 38.487 0.083 0.000 0.959 67 N HN 0.698 nan 8.380 nan 0.000 0.544 68 D N -2.480 117.980 120.400 0.100 0.000 2.978 68 D HA -0.232 4.409 4.640 0.001 0.000 0.205 68 D C 0.179 176.628 176.300 0.249 0.000 1.093 68 D CA 1.743 55.803 54.000 0.101 0.000 1.006 68 D CB -0.768 40.047 40.800 0.025 0.000 1.116 68 D HN 0.751 nan 8.370 nan 0.000 0.419 69 E N 1.435 121.794 120.200 0.266 0.000 2.194 69 E HA 0.377 4.727 4.350 0.001 0.000 0.284 69 E C -2.658 174.117 176.600 0.293 0.000 1.035 69 E CA -1.942 54.626 56.400 0.281 0.000 0.836 69 E CB 0.998 30.862 29.700 0.273 0.000 1.070 69 E HN -0.109 nan 8.360 nan 0.000 0.401 70 P HA -0.056 nan 4.420 nan 0.000 0.261 70 P C -1.014 176.344 177.300 0.098 0.000 1.183 70 P CA 0.223 63.239 63.100 -0.141 0.000 0.761 70 P CB 0.236 31.885 31.700 -0.085 0.000 0.785 71 W N 3.989 125.228 121.300 -0.102 0.000 2.390 71 W HA 0.151 4.811 4.660 0.001 0.000 0.312 71 W C 0.622 177.267 176.519 0.210 0.000 1.123 71 W CA -0.309 57.064 57.345 0.047 0.000 1.202 71 W CB 1.564 31.048 29.460 0.041 0.000 1.251 71 W HN 0.378 nan 8.180 nan 0.000 0.511 72 T N 1.025 115.368 114.554 -0.352 0.000 3.014 72 T HA 0.183 4.533 4.350 0.001 0.000 0.250 72 T C 0.791 175.215 174.700 -0.461 0.000 1.060 72 T CA 0.133 62.034 62.100 -0.332 0.000 1.040 72 T CB 0.374 69.037 68.868 -0.342 0.000 0.971 72 T HN 0.386 nan 8.240 nan 0.000 0.497 73 A N 2.788 125.255 122.820 -0.589 0.000 3.126 73 A HA 0.565 4.886 4.320 0.001 0.000 0.268 73 A C -0.094 177.614 177.584 0.207 0.000 1.605 73 A CA -1.096 50.789 52.037 -0.254 0.000 1.305 73 A CB -0.946 17.904 19.000 -0.250 0.000 1.160 73 A HN 0.697 nan 8.150 nan 0.000 0.609 74 W N -0.147 121.172 121.300 0.030 0.000 3.118 74 W HA 0.737 5.397 4.660 0.001 0.000 0.328 74 W C -1.482 175.025 176.519 -0.020 0.000 1.239 74 W CA -1.021 56.351 57.345 0.045 0.000 1.176 74 W CB 0.905 30.409 29.460 0.074 0.000 1.433 74 W HN 0.232 nan 8.180 nan 0.000 0.562 75 K N 1.398 121.968 120.400 0.282 0.000 2.498 75 K HA 0.296 4.616 4.320 0.001 0.000 0.254 75 K C -1.056 175.713 176.600 0.282 0.000 0.933 75 K CA -0.420 55.955 56.287 0.147 0.000 0.806 75 K CB 2.930 35.430 32.500 0.000 0.000 1.301 75 K HN 0.569 nan 8.250 nan 0.000 0.432 76 E N 2.186 122.561 120.200 0.292 0.000 2.249 76 E HA 0.176 4.526 4.350 0.001 0.000 0.280 76 E C -0.780 175.889 176.600 0.115 0.000 1.016 76 E CA -0.230 56.280 56.400 0.183 0.000 0.830 76 E CB 1.563 31.400 29.700 0.229 0.000 1.081 76 E HN 0.417 nan 8.360 nan 0.000 0.395 77 E N 1.300 121.556 120.200 0.094 0.000 2.431 77 E HA 0.137 4.487 4.350 0.001 0.000 0.268 77 E C -1.081 175.569 176.600 0.083 0.000 0.953 77 E CA -1.036 55.409 56.400 0.075 0.000 0.810 77 E CB 1.119 30.855 29.700 0.060 0.000 1.369 77 E HN 0.273 nan 8.360 nan 0.000 0.440 78 E N 0.218 120.456 120.200 0.064 0.000 2.606 78 E HA 0.076 4.426 4.350 0.001 0.000 0.248 78 E C 0.580 177.222 176.600 0.070 0.000 1.005 78 E CA 1.504 57.940 56.400 0.059 0.000 0.946 78 E CB -0.318 29.407 29.700 0.042 0.000 0.928 78 E HN 0.711 nan 8.360 nan 0.000 0.494 79 G N 2.554 111.399 108.800 0.075 0.000 2.155 79 G HA2 -0.132 3.829 3.960 0.001 0.000 0.257 79 G HA3 -0.132 3.829 3.960 0.001 0.000 0.257 79 G C 0.183 175.167 174.900 0.140 0.000 0.983 79 G CA 0.390 45.535 45.100 0.075 0.000 0.676 79 G HN 1.113 nan 8.290 nan 0.000 0.528 80 A N -1.375 121.555 122.820 0.183 0.000 2.594 80 A HA 0.863 5.183 4.320 0.001 0.000 0.295 80 A C -1.261 176.359 177.584 0.060 0.000 1.071 80 A CA -0.273 51.866 52.037 0.169 0.000 0.685 80 A CB 1.795 20.852 19.000 0.096 0.000 1.285 80 A HN 1.601 nan 8.150 nan 0.000 0.405 81 L N 1.703 122.831 121.223 -0.158 0.000 2.343 81 L HA 0.733 5.073 4.340 0.001 0.000 0.278 81 L C -1.343 175.436 176.870 -0.152 0.000 0.996 81 L CA -0.381 54.230 54.840 -0.380 0.000 0.831 81 L CB 1.676 43.065 42.059 -1.118 0.000 1.232 81 L HN 0.450 nan 8.230 nan 0.000 0.413 82 V N 6.841 126.745 119.914 -0.017 0.000 2.384 82 V HA 0.490 4.610 4.120 0.001 0.000 0.287 82 V C 0.077 176.221 176.094 0.083 0.000 1.020 82 V CA -0.360 61.955 62.300 0.025 0.000 0.850 82 V CB 1.362 33.216 31.823 0.051 0.000 0.987 82 V HN 0.605 nan 8.190 nan 0.000 0.436 83 I N 3.850 124.437 120.570 0.029 0.000 2.362 83 I HA 0.451 4.622 4.170 0.001 0.000 0.289 83 I C 0.261 176.424 176.117 0.078 0.000 0.994 83 I CA 0.058 61.404 61.300 0.078 0.000 1.158 83 I CB 1.807 39.735 38.000 -0.120 0.000 1.315 83 I HN 0.527 nan 8.210 nan 0.000 0.451 84 S N 4.631 120.466 115.700 0.225 0.000 2.690 84 S HA 0.395 4.866 4.470 0.001 0.000 0.291 84 S C 0.121 174.890 174.600 0.281 0.000 1.138 84 S CA -0.579 57.734 58.200 0.187 0.000 1.013 84 S CB 1.023 64.302 63.200 0.132 0.000 1.053 84 S HN 0.759 nan 8.310 nan 0.000 0.539 85 N N 0.497 119.310 118.700 0.189 0.000 2.746 85 N HA -0.136 4.604 4.740 0.001 0.000 0.250 85 N C -1.220 174.440 175.510 0.249 0.000 1.055 85 N CA 0.399 53.571 53.050 0.203 0.000 0.699 85 N CB -1.689 36.903 38.487 0.175 0.000 0.919 85 N HN 0.467 nan 8.380 nan 0.000 0.548 86 L N 0.161 121.424 121.223 0.066 0.000 2.360 86 L HA 0.575 4.916 4.340 0.001 0.000 0.271 86 L C -1.382 175.459 176.870 -0.049 0.000 1.057 86 L CA -1.700 53.017 54.840 -0.203 0.000 0.803 86 L CB 0.604 42.346 42.059 -0.528 0.000 1.207 86 L HN -0.086 nan 8.230 nan 0.000 0.445 87 P HA 0.023 nan 4.420 nan 0.000 0.273 87 P C 0.235 177.696 177.300 0.269 0.000 1.250 87 P CA -0.386 62.775 63.100 0.101 0.000 0.793 87 P CB 0.596 32.371 31.700 0.125 0.000 1.011 88 E N 0.030 120.354 120.200 0.208 0.000 2.150 88 E HA -0.117 4.234 4.350 0.001 0.000 0.193 88 E C -0.055 176.674 176.600 0.214 0.000 0.985 88 E CA 0.879 57.385 56.400 0.178 0.000 0.814 88 E CB 0.226 29.963 29.700 0.063 0.000 0.752 88 E HN 0.289 nan 8.360 nan 0.000 0.466 89 R N -0.511 120.122 120.500 0.223 0.000 2.574 89 R HA 0.419 4.760 4.340 0.001 0.000 0.288 89 R C -1.322 175.088 176.300 0.183 0.000 1.004 89 R CA -0.590 55.558 56.100 0.079 0.000 0.895 89 R CB 1.542 31.846 30.300 0.007 0.000 1.191 89 R HN 0.014 nan 8.270 nan 0.000 0.444 90 F N -2.332 117.607 119.950 -0.019 0.000 2.773 90 F HA 0.467 4.994 4.527 0.001 0.000 0.314 90 F C -1.168 174.592 175.800 -0.067 0.000 1.160 90 F CA -1.080 56.887 58.000 -0.055 0.000 0.920 90 F CB 1.439 40.374 39.000 -0.109 0.000 1.323 90 F HN 0.133 nan 8.300 nan 0.000 0.457 91 T N 3.247 117.870 114.554 0.116 0.000 2.743 91 T HA 0.526 4.876 4.350 0.001 0.000 0.292 91 T C -0.898 173.874 174.700 0.120 0.000 0.972 91 T CA -0.299 61.820 62.100 0.031 0.000 0.967 91 T CB 0.939 69.814 68.868 0.012 0.000 0.926 91 T HN 0.711 nan 8.240 nan 0.000 0.459 92 L N 3.883 125.151 121.223 0.076 0.000 2.276 92 L HA 0.580 4.921 4.340 0.001 0.000 0.286 92 L C -0.080 176.795 176.870 0.007 0.000 1.061 92 L CA -0.147 54.731 54.840 0.064 0.000 0.807 92 L CB 0.677 42.775 42.059 0.064 0.000 1.177 92 L HN 0.471 nan 8.230 nan 0.000 0.429 93 K N 6.094 126.502 120.400 0.013 0.000 2.450 93 K HA 0.521 4.841 4.320 0.001 0.000 0.257 93 K C -1.545 175.061 176.600 0.010 0.000 0.953 93 K CA -0.655 55.634 56.287 0.003 0.000 0.844 93 K CB 0.940 33.435 32.500 -0.008 0.000 1.103 93 K HN 0.572 nan 8.250 nan 0.000 0.429 94 I N 6.162 126.719 120.570 -0.022 0.000 2.404 94 I HA 0.389 4.559 4.170 0.001 0.000 0.293 94 I C -0.098 175.990 176.117 -0.048 0.000 0.992 94 I CA -0.838 60.441 61.300 -0.034 0.000 1.149 94 I CB 1.530 39.522 38.000 -0.012 0.000 1.315 94 I HN 0.618 nan 8.210 nan 0.000 0.446 95 I N 7.164 127.711 120.570 -0.037 0.000 2.433 95 I HA 0.394 4.565 4.170 0.001 0.000 0.292 95 I C -0.218 175.867 176.117 -0.053 0.000 1.001 95 I CA -0.489 60.777 61.300 -0.056 0.000 1.119 95 I CB 1.682 39.662 38.000 -0.033 0.000 1.289 95 I HN 0.628 nan 8.210 nan 0.000 0.438 96 N N 4.682 123.333 118.700 -0.081 0.000 2.610 96 N HA 0.455 5.196 4.740 0.001 0.000 0.264 96 N C -1.500 173.961 175.510 -0.082 0.000 1.348 96 N CA -0.899 52.108 53.050 -0.072 0.000 0.819 96 N CB 2.351 40.784 38.487 -0.091 0.000 1.521 96 N HN 0.473 nan 8.380 nan 0.000 0.497 97 E N 0.488 120.652 120.200 -0.060 0.000 2.221 97 E HA 0.646 4.997 4.350 0.001 0.000 0.268 97 E C -0.422 176.151 176.600 -0.045 0.000 0.933 97 E CA -0.884 55.491 56.400 -0.042 0.000 0.809 97 E CB 2.525 32.215 29.700 -0.017 0.000 1.190 97 E HN 0.574 nan 8.360 nan 0.000 0.406 98 I N -2.343 118.215 120.570 -0.021 0.000 3.191 98 I HA 0.620 4.790 4.170 0.001 0.000 0.313 98 I C -0.762 175.367 176.117 0.021 0.000 1.193 98 I CA -0.904 60.392 61.300 -0.005 0.000 0.968 98 I CB 2.389 40.389 38.000 -0.000 0.000 1.262 98 I HN 0.323 nan 8.210 nan 0.000 0.456 99 S N 2.578 118.295 115.700 0.029 0.000 2.395 99 S HA 0.506 4.976 4.470 0.001 0.000 0.207 99 S C -2.059 172.569 174.600 0.046 0.000 1.454 99 S CA -1.297 56.924 58.200 0.035 0.000 1.211 99 S CB 0.706 63.922 63.200 0.027 0.000 1.093 99 S HN 0.551 nan 8.310 nan 0.000 0.472 100 P HA -0.095 nan 4.420 nan 0.000 0.216 100 P C 1.445 178.785 177.300 0.066 0.000 1.150 100 P CA 1.333 64.474 63.100 0.069 0.000 0.843 100 P CB 0.150 31.877 31.700 0.046 0.000 0.787 101 A N -0.175 122.673 122.820 0.046 0.000 2.019 101 A HA -0.076 4.244 4.320 0.001 0.000 0.219 101 A C 2.179 179.774 177.584 0.018 0.000 1.164 101 A CA 1.878 53.933 52.037 0.030 0.000 0.644 101 A CB -1.415 17.601 19.000 0.027 0.000 0.805 101 A HN 0.227 nan 8.150 nan 0.000 0.449 102 A N -0.690 122.143 122.820 0.023 0.000 2.251 102 A HA 0.083 4.404 4.320 0.001 0.000 0.209 102 A C 1.048 178.637 177.584 0.008 0.000 1.187 102 A CA 0.231 52.276 52.037 0.013 0.000 0.823 102 A CB -0.358 18.651 19.000 0.016 0.000 0.846 102 A HN 0.376 nan 8.150 nan 0.000 0.486 103 N N 1.363 120.076 118.700 0.021 0.000 2.807 103 N HA 0.034 4.774 4.740 0.001 0.000 0.259 103 N C 1.105 176.584 175.510 -0.050 0.000 1.149 103 N CA 0.796 53.850 53.050 0.006 0.000 1.042 103 N CB 0.438 38.963 38.487 0.064 0.000 1.367 103 N HN 0.370 nan 8.380 nan 0.000 0.516 104 T N -1.270 113.244 114.554 -0.068 0.000 3.067 104 T HA 0.062 4.412 4.350 0.001 0.000 0.261 104 T C 1.624 176.234 174.700 -0.150 0.000 1.110 104 T CA 0.611 62.653 62.100 -0.096 0.000 1.113 104 T CB 0.061 68.891 68.868 -0.063 0.000 0.917 104 T HN 0.249 nan 8.240 nan 0.000 0.499 105 A N 1.893 124.614 122.820 -0.165 0.000 2.119 105 A HA 0.402 4.723 4.320 0.001 0.000 0.217 105 A C 1.444 178.819 177.584 -0.347 0.000 1.153 105 A CA 0.519 52.429 52.037 -0.211 0.000 0.692 105 A CB -0.824 18.068 19.000 -0.180 0.000 0.799 105 A HN 0.741 nan 8.150 nan 0.000 0.458 106 L N -1.470 119.450 121.223 -0.506 0.000 3.608 106 L HA -0.203 4.138 4.340 0.001 0.000 0.422 106 L C -0.016 176.447 176.870 -0.678 0.000 1.260 106 L CA 0.769 54.968 54.840 -1.068 0.000 0.889 106 L CB -2.141 39.282 42.059 -1.060 0.000 1.821 106 L HN 0.693 nan 8.230 nan 0.000 0.884 107 E N 0.434 120.403 120.200 -0.385 0.000 2.244 107 E HA 0.560 4.911 4.350 0.001 0.000 0.260 107 E C 0.661 177.153 176.600 -0.180 0.000 0.884 107 E CA 0.281 56.501 56.400 -0.300 0.000 0.777 107 E CB 1.723 31.143 29.700 -0.468 0.000 1.197 107 E HN 0.317 nan 8.360 nan 0.000 0.416 108 G N 2.886 111.697 108.800 0.019 0.000 2.475 108 G HA2 -0.220 3.741 3.960 0.001 0.000 0.223 108 G HA3 -0.220 3.741 3.960 0.001 0.000 0.223 108 G C -1.294 173.747 174.900 0.234 0.000 1.201 108 G CA -0.275 44.909 45.100 0.140 0.000 0.962 108 G HN 0.613 nan 8.290 nan 0.000 0.586 109 L N 1.994 123.331 121.223 0.191 0.000 2.275 109 L HA 0.822 5.163 4.340 0.001 0.000 0.288 109 L C -0.020 176.958 176.870 0.180 0.000 1.046 109 L CA -0.688 54.231 54.840 0.133 0.000 0.805 109 L CB 0.436 42.554 42.059 0.098 0.000 1.193 109 L HN 1.161 nan 8.230 nan 0.000 0.426 110 Y N 1.671 121.978 120.300 0.011 0.000 2.728 110 Y HA 0.608 5.159 4.550 0.001 0.000 0.330 110 Y C -1.056 174.845 175.900 0.002 0.000 1.234 110 Y CA -1.266 56.833 58.100 -0.001 0.000 1.070 110 Y CB 0.969 39.422 38.460 -0.013 0.000 1.300 110 Y HN 0.606 nan 8.280 nan 0.000 0.467 111 Q N 1.388 121.275 119.800 0.145 0.000 2.290 111 Q HA 0.516 4.856 4.340 0.001 0.000 0.259 111 Q C -1.254 174.772 176.000 0.044 0.000 0.941 111 Q CA -0.686 55.132 55.803 0.024 0.000 0.912 111 Q CB 1.489 30.235 28.738 0.014 0.000 1.244 111 Q HN 0.721 nan 8.270 nan 0.000 0.441 112 S N 3.292 118.997 115.700 0.007 0.000 2.667 112 S HA 0.609 5.080 4.470 0.001 0.000 0.304 112 S C 0.363 175.039 174.600 0.126 0.000 1.135 112 S CA 0.397 58.675 58.200 0.129 0.000 1.125 112 S CB 0.218 63.595 63.200 0.295 0.000 0.996 112 S HN 1.050 nan 8.310 nan 0.000 0.474 113 G N 5.008 113.802 108.800 -0.010 0.000 2.596 113 G HA2 -0.302 3.658 3.960 0.001 0.000 0.304 113 G HA3 -0.302 3.658 3.960 0.001 0.000 0.304 113 G C 0.302 175.214 174.900 0.020 0.000 1.189 113 G CA 0.736 45.879 45.100 0.071 0.000 0.986 113 G HN 0.636 nan 8.290 nan 0.000 0.548 114 D N 1.968 122.387 120.400 0.031 0.000 2.350 114 D HA 0.452 5.092 4.640 0.001 0.000 0.213 114 D C 1.414 177.749 176.300 0.058 0.000 1.031 114 D CA 0.958 54.961 54.000 0.005 0.000 0.861 114 D CB 0.076 40.844 40.800 -0.054 0.000 0.926 114 D HN 0.776 nan 8.370 nan 0.000 0.520 115 A N 0.549 123.414 122.820 0.076 0.000 2.286 115 A HA 0.576 4.897 4.320 0.001 0.000 0.286 115 A C -0.109 177.538 177.584 0.105 0.000 1.097 115 A CA -0.346 51.772 52.037 0.136 0.000 0.821 115 A CB 0.600 19.707 19.000 0.179 0.000 1.076 115 A HN 0.110 nan 8.150 nan 0.000 0.490 116 L N 0.915 122.180 121.223 0.071 0.000 2.317 116 L HA 0.617 4.957 4.340 0.001 0.000 0.281 116 L C -0.114 176.650 176.870 -0.177 0.000 1.024 116 L CA -0.539 54.241 54.840 -0.101 0.000 0.810 116 L CB 1.363 43.310 42.059 -0.185 0.000 1.240 116 L HN 1.020 nan 8.230 nan 0.000 0.427 117 C N -0.372 118.721 119.300 -0.344 0.000 3.332 117 C HA 0.897 5.358 4.460 0.001 0.000 0.329 117 C C -0.027 174.708 174.990 -0.426 0.000 1.434 117 C CA -0.653 58.149 59.018 -0.360 0.000 1.314 117 C CB 1.559 29.120 27.740 -0.299 0.000 1.664 117 C HN 0.865 nan 8.230 nan 0.000 0.457 118 T N -0.740 113.690 114.554 -0.206 0.000 2.924 118 T HA 0.747 5.098 4.350 0.001 0.000 0.291 118 T C -1.068 173.752 174.700 0.202 0.000 1.045 118 T CA -0.180 61.924 62.100 0.007 0.000 1.015 118 T CB 1.817 70.707 68.868 0.037 0.000 1.103 118 T HN 1.198 nan 8.240 nan 0.000 0.496 119 Q N 0.239 120.212 119.800 0.287 0.000 2.275 119 Q HA 0.535 4.876 4.340 0.001 0.000 0.266 119 Q C -0.786 175.296 176.000 0.137 0.000 1.002 119 Q CA -0.662 55.255 55.803 0.189 0.000 0.761 119 Q CB 1.081 29.844 28.738 0.043 0.000 1.255 119 Q HN 0.842 nan 8.270 nan 0.000 0.446 120 C N 2.637 122.038 119.300 0.168 0.000 3.188 120 C HA 0.319 4.780 4.460 0.001 0.000 0.315 120 C C 0.568 175.679 174.990 0.202 0.000 1.285 120 C CA -0.154 59.009 59.018 0.243 0.000 1.729 120 C CB -0.035 27.933 27.740 0.381 0.000 2.257 120 C HN 0.840 nan 8.230 nan 0.000 0.645 121 E N 0.886 121.160 120.200 0.123 0.000 2.313 121 E HA 0.443 4.794 4.350 0.001 0.000 0.276 121 E C 0.745 177.166 176.600 -0.298 0.000 1.031 121 E CA 0.074 56.464 56.400 -0.017 0.000 0.857 121 E CB 1.180 30.898 29.700 0.031 0.000 1.040 121 E HN 0.365 nan 8.360 nan 0.000 0.408 122 A N 4.533 127.074 122.820 -0.466 0.000 1.903 122 A HA -0.013 4.308 4.320 0.001 0.000 0.213 122 A C 0.892 178.354 177.584 -0.203 0.000 1.185 122 A CA 0.780 52.383 52.037 -0.722 0.000 0.628 122 A CB 0.141 18.401 19.000 -1.233 0.000 0.830 122 A HN 0.740 nan 8.150 nan 0.000 0.446 123 E N -0.869 119.285 120.200 -0.076 0.000 3.646 123 E HA 0.258 4.609 4.350 0.001 0.000 0.211 123 E C 0.853 177.590 176.600 0.227 0.000 1.034 123 E CA 0.130 56.618 56.400 0.147 0.000 1.341 123 E CB 0.634 30.404 29.700 0.116 0.000 1.202 123 E HN 0.461 nan 8.360 nan 0.000 0.447 124 G N 0.157 109.082 108.800 0.208 0.000 2.603 124 G HA2 -0.170 3.790 3.960 0.001 0.000 0.214 124 G HA3 -0.170 3.790 3.960 0.001 0.000 0.214 124 G C 1.088 176.191 174.900 0.338 0.000 1.140 124 G CA -0.134 45.089 45.100 0.205 0.000 0.800 124 G HN 0.300 nan 8.290 nan 0.000 0.533 125 F N 2.767 122.854 119.950 0.230 0.000 2.216 125 F HA -0.042 4.485 4.527 0.001 0.000 0.300 125 F C 2.778 178.672 175.800 0.157 0.000 1.085 125 F CA 1.385 59.499 58.000 0.190 0.000 1.326 125 F CB 0.105 39.208 39.000 0.171 0.000 1.027 125 F HN 0.201 nan 8.300 nan 0.000 0.497 126 R N -0.814 119.832 120.500 0.244 0.000 2.285 126 R HA -0.131 4.209 4.340 0.001 0.000 0.213 126 R C 1.246 177.449 176.300 -0.161 0.000 1.068 126 R CA 1.635 57.760 56.100 0.043 0.000 1.004 126 R CB -1.257 29.098 30.300 0.092 0.000 0.873 126 R HN 0.425 nan 8.270 nan 0.000 0.467 127 H N -0.016 119.002 119.070 -0.087 0.000 2.539 127 H HA 0.167 4.723 4.556 0.001 0.000 0.267 127 H C 1.488 176.723 175.328 -0.156 0.000 0.982 127 H CA 0.707 56.692 56.048 -0.105 0.000 1.146 127 H CB 0.402 30.142 29.762 -0.036 0.000 1.382 127 H HN 0.303 nan 8.280 nan 0.000 0.577 128 I N -0.853 119.608 120.570 -0.181 0.000 3.300 128 I HA 0.003 4.174 4.170 0.001 0.000 0.279 128 I C 0.844 176.715 176.117 -0.409 0.000 1.172 128 I CA 0.501 61.636 61.300 -0.276 0.000 1.431 128 I CB 0.898 38.670 38.000 -0.380 0.000 1.240 128 I HN -0.049 nan 8.210 nan 0.000 0.453 129 T N -1.530 112.696 114.554 -0.546 0.000 2.769 129 T HA 0.380 4.730 4.350 0.001 0.000 0.306 129 T C -1.750 172.794 174.700 -0.260 0.000 1.400 129 T CA -0.430 61.427 62.100 -0.405 0.000 1.007 129 T CB 0.843 69.485 68.868 -0.377 0.000 1.392 129 T HN -0.126 nan 8.240 nan 0.000 0.500 130 Y N 2.232 122.486 120.300 -0.077 0.000 2.496 130 Y HA 0.537 5.088 4.550 0.001 0.000 0.334 130 Y C -0.169 175.824 175.900 0.154 0.000 1.080 130 Y CA 0.366 58.468 58.100 0.005 0.000 1.355 130 Y CB 0.225 38.654 38.460 -0.052 0.000 1.193 130 Y HN 0.554 nan 8.280 nan 0.000 0.523 131 Y N 1.429 121.850 120.300 0.201 0.000 2.670 131 Y HA 0.428 4.978 4.550 0.001 0.000 0.334 131 Y C -1.270 174.746 175.900 0.193 0.000 1.185 131 Y CA -1.718 56.509 58.100 0.211 0.000 1.053 131 Y CB 1.230 39.927 38.460 0.396 0.000 1.298 131 Y HN 0.353 nan 8.280 nan 0.000 0.459 132 L N 3.591 124.502 121.223 -0.520 0.000 2.415 132 L HA 0.149 4.490 4.340 0.001 0.000 0.269 132 L C -0.300 176.615 176.870 0.075 0.000 1.244 132 L CA 0.223 54.917 54.840 -0.243 0.000 1.113 132 L CB -0.402 41.446 42.059 -0.351 0.000 1.352 132 L HN 0.468 nan 8.230 nan 0.000 0.433 133 D N 4.519 125.098 120.400 0.298 0.000 2.608 133 D HA 0.106 4.747 4.640 0.001 0.000 0.224 133 D C 0.042 176.562 176.300 0.366 0.000 1.123 133 D CA -0.184 54.083 54.000 0.445 0.000 1.030 133 D CB 0.129 41.199 40.800 0.449 0.000 1.093 133 D HN 0.447 nan 8.370 nan 0.000 0.497 134 R N 0.762 121.444 120.500 0.303 0.000 2.584 134 R HA 0.423 4.763 4.340 0.001 0.000 0.276 134 R C -2.576 173.813 176.300 0.148 0.000 1.046 134 R CA -1.433 54.798 56.100 0.219 0.000 0.906 134 R CB 1.372 31.763 30.300 0.152 0.000 1.215 134 R HN -0.198 nan 8.270 nan 0.000 0.449 135 P HA -0.078 nan 4.420 nan 0.000 0.242 135 P C -0.206 177.088 177.300 -0.011 0.000 1.197 135 P CA 0.740 63.824 63.100 -0.027 0.000 0.765 135 P CB 0.196 31.620 31.700 -0.460 0.000 0.936 136 D N -0.814 119.590 120.400 0.007 0.000 2.339 136 D HA 0.010 4.651 4.640 0.001 0.000 0.217 136 D C 0.333 176.657 176.300 0.040 0.000 1.050 136 D CA -0.207 53.813 54.000 0.034 0.000 0.856 136 D CB -0.476 40.379 40.800 0.092 0.000 0.922 136 D HN -0.020 nan 8.370 nan 0.000 0.518 137 V N 1.377 121.325 119.914 0.057 0.000 2.333 137 V HA 0.254 4.374 4.120 0.001 0.000 0.274 137 V C -0.535 175.619 176.094 0.100 0.000 1.028 137 V CA -0.696 61.632 62.300 0.047 0.000 0.851 137 V CB 1.168 32.999 31.823 0.013 0.000 1.000 137 V HN 0.026 nan 8.190 nan 0.000 0.456 138 L N 5.365 126.636 121.223 0.080 0.000 2.298 138 L HA 0.822 5.163 4.340 0.001 0.000 0.284 138 L C 0.239 177.182 176.870 0.121 0.000 1.013 138 L CA 0.126 55.030 54.840 0.107 0.000 0.824 138 L CB 1.559 43.660 42.059 0.071 0.000 1.221 138 L HN 0.720 nan 8.230 nan 0.000 0.418 139 A N 3.863 126.803 122.820 0.200 0.000 2.413 139 A HA 0.828 5.149 4.320 0.001 0.000 0.307 139 A C -0.481 177.238 177.584 0.225 0.000 1.087 139 A CA -0.804 51.318 52.037 0.141 0.000 0.750 139 A CB 1.128 20.152 19.000 0.041 0.000 1.296 139 A HN 0.623 nan 8.150 nan 0.000 0.423 140 R N 0.768 121.338 120.500 0.117 0.000 2.216 140 R HA 0.399 4.740 4.340 0.001 0.000 0.332 140 R C -1.504 174.889 176.300 0.155 0.000 1.056 140 R CA 0.130 56.327 56.100 0.162 0.000 0.901 140 R CB 0.348 30.688 30.300 0.066 0.000 1.039 140 R HN 0.530 nan 8.270 nan 0.000 0.456 141 F N 0.860 120.834 119.950 0.041 0.000 2.404 141 F HA 0.295 4.822 4.527 0.001 0.000 0.339 141 F C 0.744 176.609 175.800 0.107 0.000 1.105 141 F CA -0.205 57.836 58.000 0.068 0.000 1.087 141 F CB 1.933 40.995 39.000 0.105 0.000 1.143 141 F HN 0.302 nan 8.300 nan 0.000 0.491 142 T N 1.593 116.300 114.554 0.255 0.000 2.848 142 T HA 0.536 4.887 4.350 0.001 0.000 0.285 142 T C -0.669 174.213 174.700 0.304 0.000 0.995 142 T CA -0.740 61.512 62.100 0.252 0.000 0.970 142 T CB 1.426 70.383 68.868 0.147 0.000 0.976 142 T HN 0.459 nan 8.240 nan 0.000 0.441 143 T N 3.226 118.017 114.554 0.394 0.000 2.847 143 T HA 0.434 4.784 4.350 0.001 0.000 0.291 143 T C -0.511 174.456 174.700 0.446 0.000 0.998 143 T CA -0.775 61.607 62.100 0.471 0.000 0.967 143 T CB 1.281 70.502 68.868 0.589 0.000 0.954 143 T HN 0.431 nan 8.240 nan 0.000 0.441 144 K N 4.175 124.793 120.400 0.364 0.000 2.213 144 K HA 0.624 4.944 4.320 0.001 0.000 0.270 144 K C -1.023 175.791 176.600 0.356 0.000 1.002 144 K CA -0.694 55.783 56.287 0.317 0.000 0.868 144 K CB 0.677 33.256 32.500 0.133 0.000 1.093 144 K HN 0.567 nan 8.250 nan 0.000 0.454 145 I N 6.139 126.920 120.570 0.350 0.000 2.406 145 I HA 0.369 4.540 4.170 0.001 0.000 0.290 145 I C -0.521 175.730 176.117 0.224 0.000 0.999 145 I CA -0.859 60.606 61.300 0.274 0.000 1.124 145 I CB 1.634 39.749 38.000 0.191 0.000 1.289 145 I HN 0.463 nan 8.210 nan 0.000 0.441 146 I N 5.652 126.332 120.570 0.183 0.000 2.436 146 I HA 0.835 5.006 4.170 0.001 0.000 0.289 146 I C -0.108 176.093 176.117 0.140 0.000 1.010 146 I CA -0.332 61.071 61.300 0.172 0.000 1.098 146 I CB 1.895 39.972 38.000 0.129 0.000 1.266 146 I HN 0.711 nan 8.210 nan 0.000 0.434 147 A N 3.774 126.701 122.820 0.178 0.000 2.601 147 A HA 0.437 4.757 4.320 0.001 0.000 0.291 147 A C -1.501 176.302 177.584 0.365 0.000 1.075 147 A CA -0.710 51.470 52.037 0.238 0.000 0.671 147 A CB 1.306 20.413 19.000 0.178 0.000 1.277 147 A HN 0.711 nan 8.150 nan 0.000 0.417 148 D N 0.510 121.133 120.400 0.372 0.000 2.487 148 D HA 0.110 4.750 4.640 0.001 0.000 0.243 148 D C 1.089 177.544 176.300 0.258 0.000 1.154 148 D CA 0.646 54.807 54.000 0.268 0.000 0.876 148 D CB 0.725 41.636 40.800 0.185 0.000 1.161 148 D HN 0.522 nan 8.370 nan 0.000 0.478 149 K N 3.331 123.798 120.400 0.111 0.000 2.097 149 K HA -0.095 4.226 4.320 0.001 0.000 0.205 149 K C 1.713 178.225 176.600 -0.146 0.000 1.050 149 K CA 0.835 57.016 56.287 -0.176 0.000 0.938 149 K CB 0.045 32.307 32.500 -0.396 0.000 0.718 149 K HN 0.597 nan 8.250 nan 0.000 0.442 150 I N 0.777 121.288 120.570 -0.099 0.000 2.252 150 I HA -0.245 3.925 4.170 0.001 0.000 0.245 150 I C 2.493 178.519 176.117 -0.152 0.000 1.102 150 I CA 1.165 62.397 61.300 -0.113 0.000 1.385 150 I CB -0.081 37.865 38.000 -0.089 0.000 1.064 150 I HN 0.152 nan 8.210 nan 0.000 0.414 151 K N 0.197 120.464 120.400 -0.221 0.000 2.116 151 K HA -0.088 4.232 4.320 0.001 0.000 0.203 151 K C -0.184 176.050 176.600 -0.610 0.000 1.052 151 K CA 1.045 57.033 56.287 -0.499 0.000 0.952 151 K CB 0.285 32.341 32.500 -0.739 0.000 0.729 151 K HN 0.197 nan 8.250 nan 0.000 0.446 152 Y N 0.144 120.479 120.300 0.058 0.000 2.562 152 Y HA 0.266 4.817 4.550 0.001 0.000 0.363 152 Y C -2.134 173.887 175.900 0.202 0.000 0.991 152 Y CA -2.504 55.669 58.100 0.121 0.000 1.121 152 Y CB 1.291 39.837 38.460 0.144 0.000 1.159 152 Y HN 0.095 nan 8.280 nan 0.000 0.651 153 P HA -0.102 nan 4.420 nan 0.000 0.223 153 P C -0.210 177.066 177.300 -0.040 0.000 1.151 153 P CA 1.108 64.186 63.100 -0.037 0.000 0.787 153 P CB 0.259 31.824 31.700 -0.224 0.000 0.788 154 F N 0.325 120.475 119.950 0.333 0.000 2.411 154 F HA 0.389 4.916 4.527 0.001 0.000 0.352 154 F C 0.575 176.547 175.800 0.288 0.000 1.123 154 F CA -0.823 57.388 58.000 0.352 0.000 1.044 154 F CB 1.260 40.534 39.000 0.456 0.000 1.135 154 F HN -0.353 nan 8.300 nan 0.000 0.461 155 L N 5.859 127.311 121.223 0.382 0.000 2.345 155 L HA 0.548 4.889 4.340 0.001 0.000 0.274 155 L C -0.995 176.064 176.870 0.314 0.000 0.999 155 L CA -0.409 54.580 54.840 0.248 0.000 0.849 155 L CB 1.242 43.395 42.059 0.157 0.000 1.220 155 L HN 0.516 nan 8.230 nan 0.000 0.422 156 L N 2.049 123.233 121.223 -0.065 0.000 2.346 156 L HA 0.749 5.089 4.340 0.001 0.000 0.274 156 L C -0.039 176.248 176.870 -0.972 0.000 1.007 156 L CA -0.290 54.193 54.840 -0.596 0.000 0.818 156 L CB 2.090 43.757 42.059 -0.653 0.000 1.284 156 L HN 0.554 nan 8.230 nan 0.000 0.424 157 S N 0.767 115.372 115.700 -1.825 0.000 2.776 157 S HA 0.481 4.951 4.470 0.001 0.000 0.292 157 S C -1.049 172.947 174.600 -1.006 0.000 1.187 157 S CA -0.806 56.718 58.200 -1.127 0.000 0.834 157 S CB 1.476 64.323 63.200 -0.589 0.000 1.199 157 S HN 0.714 nan 8.310 nan 0.000 0.514 158 N N 0.938 119.310 118.700 -0.547 0.000 2.454 158 N HA 0.503 5.244 4.740 0.001 0.000 0.254 158 N C 0.707 176.192 175.510 -0.043 0.000 1.228 158 N CA 1.232 54.089 53.050 -0.321 0.000 0.900 158 N CB 0.449 38.782 38.487 -0.257 0.000 1.089 158 N HN 1.059 nan 8.380 nan 0.000 0.449 159 G N 1.255 110.081 108.800 0.042 0.000 2.513 159 G HA2 -0.234 3.727 3.960 0.001 0.000 0.227 159 G HA3 -0.234 3.727 3.960 0.001 0.000 0.227 159 G C -1.048 174.113 174.900 0.435 0.000 1.176 159 G CA -0.643 44.589 45.100 0.219 0.000 0.967 159 G HN 0.613 nan 8.290 nan 0.000 0.587 160 N N 0.764 119.704 118.700 0.401 0.000 2.361 160 N HA 0.496 5.236 4.740 0.001 0.000 0.302 160 N C -0.103 175.422 175.510 0.024 0.000 1.074 160 N CA -0.634 52.574 53.050 0.264 0.000 0.850 160 N CB 1.742 40.303 38.487 0.123 0.000 1.228 160 N HN 0.563 nan 8.380 nan 0.000 0.491 161 R N 0.936 121.190 120.500 -0.410 0.000 2.370 161 R HA 0.099 4.440 4.340 0.001 0.000 0.309 161 R C 1.130 177.232 176.300 -0.330 0.000 1.059 161 R CA -0.021 55.619 56.100 -0.767 0.000 0.981 161 R CB 0.434 30.259 30.300 -0.792 0.000 0.972 161 R HN 0.476 nan 8.270 nan 0.000 0.437 162 V N -0.323 119.442 119.914 -0.248 0.000 3.604 162 V HA 0.520 4.641 4.120 0.001 0.000 0.277 162 V C 0.265 176.317 176.094 -0.070 0.000 1.399 162 V CA 0.417 62.657 62.300 -0.100 0.000 1.034 162 V CB 0.513 32.326 31.823 -0.017 0.000 0.824 162 V HN 0.646 nan 8.190 nan 0.000 0.439 163 A N 0.813 123.571 122.820 -0.105 0.000 2.612 163 A HA 0.828 5.149 4.320 0.001 0.000 0.293 163 A C -1.351 176.046 177.584 -0.311 0.000 1.075 163 A CA -0.342 51.655 52.037 -0.067 0.000 0.680 163 A CB 1.656 20.796 19.000 0.233 0.000 1.279 163 A HN 0.694 nan 8.150 nan 0.000 0.411 164 Q N 0.313 119.725 119.800 -0.646 0.000 2.527 164 Q HA 0.684 5.024 4.340 0.001 0.000 0.280 164 Q C -0.482 174.720 176.000 -1.330 0.000 0.977 164 Q CA -0.631 54.541 55.803 -1.052 0.000 0.837 164 Q CB 1.672 30.084 28.738 -0.543 0.000 1.454 164 Q HN 2.019 nan 8.270 nan 0.000 0.387 165 G N 0.695 108.467 108.800 -1.713 0.000 2.623 165 G HA2 0.516 4.477 3.960 0.001 0.000 0.290 165 G HA3 0.516 4.477 3.960 0.001 0.000 0.290 165 G C -1.626 172.943 174.900 -0.552 0.000 1.437 165 G CA -0.592 43.892 45.100 -1.026 0.000 0.798 165 G HN 0.446 nan 8.290 nan 0.000 0.488 166 E N -0.379 119.764 120.200 -0.094 0.000 2.244 166 E HA 0.669 5.020 4.350 0.001 0.000 0.266 166 E C -0.744 175.969 176.600 0.188 0.000 0.914 166 E CA -0.580 55.859 56.400 0.066 0.000 0.794 166 E CB 2.723 32.437 29.700 0.023 0.000 1.210 166 E HN 0.321 nan 8.360 nan 0.000 0.414 167 L N 0.526 121.868 121.223 0.198 0.000 2.303 167 L HA 0.337 4.677 4.340 0.001 0.000 0.256 167 L C 0.420 177.360 176.870 0.117 0.000 1.034 167 L CA -1.072 53.878 54.840 0.183 0.000 0.832 167 L CB 1.662 43.855 42.059 0.222 0.000 1.403 167 L HN 0.562 nan 8.230 nan 0.000 0.419 168 E N -0.316 119.940 120.200 0.093 0.000 2.409 168 E HA 0.080 4.431 4.350 0.001 0.000 0.257 168 E C -0.483 176.157 176.600 0.068 0.000 1.150 168 E CA -0.488 55.952 56.400 0.067 0.000 0.942 168 E CB 0.139 29.871 29.700 0.053 0.000 0.979 168 E HN 0.573 nan 8.360 nan 0.000 0.447 169 N N 0.334 119.065 118.700 0.051 0.000 2.747 169 N HA -0.200 4.541 4.740 0.001 0.000 0.249 169 N C 0.602 176.144 175.510 0.054 0.000 1.107 169 N CA 1.333 54.412 53.050 0.048 0.000 0.707 169 N CB -1.645 36.872 38.487 0.049 0.000 1.054 169 N HN 1.052 nan 8.380 nan 0.000 0.555 170 G N -0.752 108.079 108.800 0.050 0.000 2.160 170 G HA2 -0.372 3.588 3.960 0.001 0.000 0.251 170 G HA3 -0.372 3.588 3.960 0.001 0.000 0.251 170 G C 0.155 175.102 174.900 0.078 0.000 1.008 170 G CA 0.734 45.859 45.100 0.041 0.000 0.724 170 G HN 0.607 nan 8.290 nan 0.000 0.514 171 R N -0.323 120.253 120.500 0.126 0.000 2.536 171 R HA 0.722 5.063 4.340 0.001 0.000 0.279 171 R C 0.537 177.013 176.300 0.293 0.000 1.001 171 R CA -0.169 56.058 56.100 0.211 0.000 1.027 171 R CB 0.914 31.330 30.300 0.194 0.000 1.096 171 R HN 0.796 nan 8.270 nan 0.000 0.502 172 H N -1.213 117.948 119.070 0.151 0.000 2.960 172 H HA 0.627 5.183 4.556 0.001 0.000 0.338 172 H C -1.466 174.017 175.328 0.259 0.000 1.261 172 H CA -1.187 54.942 56.048 0.135 0.000 1.136 172 H CB 1.725 31.494 29.762 0.012 0.000 1.875 172 H HN 0.686 nan 8.280 nan 0.000 0.550 173 W N 0.502 121.727 121.300 -0.125 0.000 3.167 173 W HA 0.655 5.315 4.660 0.001 0.000 0.324 173 W C -2.477 173.954 176.519 -0.147 0.000 1.230 173 W CA -1.208 56.038 57.345 -0.165 0.000 1.184 173 W CB 0.846 30.286 29.460 -0.033 0.000 1.414 173 W HN 0.536 nan 8.180 nan 0.000 0.551 174 V N 1.819 121.820 119.914 0.144 0.000 2.841 174 V HA 0.371 4.492 4.120 0.001 0.000 0.310 174 V C -0.641 175.594 176.094 0.235 0.000 1.090 174 V CA -0.706 61.596 62.300 0.004 0.000 0.930 174 V CB 1.817 33.616 31.823 -0.039 0.000 1.014 174 V HN 0.631 nan 8.190 nan 0.000 0.425 175 Q N 2.000 121.857 119.800 0.095 0.000 2.337 175 Q HA 0.530 4.870 4.340 0.001 0.000 0.266 175 Q C -2.066 173.865 176.000 -0.115 0.000 1.023 175 Q CA -0.563 55.345 55.803 0.174 0.000 0.829 175 Q CB 2.109 31.025 28.738 0.296 0.000 1.306 175 Q HN 0.718 nan 8.270 nan 0.000 0.449 176 W N 2.000 123.386 121.300 0.143 0.000 2.666 176 W HA 0.424 5.085 4.660 0.001 0.000 0.334 176 W C -0.532 176.058 176.519 0.118 0.000 1.051 176 W CA -0.516 56.893 57.345 0.107 0.000 1.224 176 W CB 1.773 31.283 29.460 0.083 0.000 1.405 176 W HN 0.473 nan 8.180 nan 0.000 0.513 177 Q N 2.558 122.542 119.800 0.307 0.000 2.321 177 Q HA 0.204 4.544 4.340 0.001 0.000 0.270 177 Q C -1.629 174.497 176.000 0.209 0.000 1.032 177 Q CA -0.579 55.356 55.803 0.221 0.000 0.784 177 Q CB 1.882 30.696 28.738 0.127 0.000 1.264 177 Q HN 0.398 nan 8.270 nan 0.000 0.448 178 D N 5.686 126.204 120.400 0.196 0.000 2.414 178 D HA 0.265 4.906 4.640 0.001 0.000 0.232 178 D C -1.758 174.604 176.300 0.104 0.000 1.070 178 D CA -2.162 51.930 54.000 0.153 0.000 0.839 178 D CB 1.768 42.644 40.800 0.126 0.000 1.079 178 D HN 0.368 nan 8.370 nan 0.000 0.521 179 P HA -0.003 nan 4.420 nan 0.000 0.229 179 P C 0.123 177.274 177.300 -0.247 0.000 1.160 179 P CA 0.180 63.181 63.100 -0.165 0.000 0.777 179 P CB 0.056 31.556 31.700 -0.334 0.000 0.814 180 F N 1.962 121.896 119.950 -0.026 0.000 2.424 180 F HA 0.338 4.866 4.527 0.001 0.000 0.356 180 F C -1.752 174.037 175.800 -0.018 0.000 1.110 180 F CA -2.628 55.340 58.000 -0.053 0.000 1.161 180 F CB -0.123 38.802 39.000 -0.125 0.000 1.115 180 F HN -0.216 nan 8.300 nan 0.000 0.507 181 P HA 0.060 nan 4.420 nan 0.000 0.265 181 P C -1.118 176.248 177.300 0.109 0.000 1.193 181 P CA -0.060 63.120 63.100 0.133 0.000 0.765 181 P CB 0.388 32.145 31.700 0.094 0.000 0.823 182 K N 3.164 123.636 120.400 0.120 0.000 2.508 182 K HA 0.648 4.969 4.320 0.001 0.000 0.260 182 K C -3.139 173.492 176.600 0.051 0.000 0.949 182 K CA -2.501 53.783 56.287 -0.004 0.000 0.834 182 K CB 1.849 34.245 32.500 -0.172 0.000 1.365 182 K HN 0.084 nan 8.250 nan 0.000 0.437 183 P HA 0.002 nan 4.420 nan 0.000 0.274 183 P C 0.988 178.246 177.300 -0.070 0.000 1.231 183 P CA -0.548 62.579 63.100 0.045 0.000 0.790 183 P CB 0.803 32.555 31.700 0.087 0.000 0.951 184 C N 0.636 119.983 119.300 0.079 0.000 2.437 184 C HA -0.100 4.360 4.460 0.001 0.000 0.283 184 C C 2.581 177.521 174.990 -0.084 0.000 1.424 184 C CA 0.259 59.146 59.018 -0.218 0.000 1.782 184 C CB -2.650 24.765 27.740 -0.541 0.000 1.833 184 C HN 0.642 nan 8.230 nan 0.000 0.532 185 Y N 0.989 121.365 120.300 0.127 0.000 2.483 185 Y HA 0.204 4.755 4.550 0.001 0.000 0.291 185 Y C 1.750 177.701 175.900 0.086 0.000 1.143 185 Y CA 0.747 58.967 58.100 0.200 0.000 1.289 185 Y CB -0.786 37.917 38.460 0.405 0.000 0.983 185 Y HN 0.282 nan 8.280 nan 0.000 0.556 186 L N -0.225 120.689 121.223 -0.516 0.000 2.607 186 L HA 0.148 4.489 4.340 0.001 0.000 0.228 186 L C 0.261 176.910 176.870 -0.368 0.000 1.123 186 L CA -0.447 54.104 54.840 -0.483 0.000 0.890 186 L CB -0.214 41.465 42.059 -0.633 0.000 1.103 186 L HN 0.197 nan 8.230 nan 0.000 0.468 187 F N 1.785 121.445 119.950 -0.483 0.000 2.484 187 F HA 0.455 4.982 4.527 0.001 0.000 0.360 187 F C 0.373 176.046 175.800 -0.211 0.000 1.101 187 F CA -0.695 57.025 58.000 -0.467 0.000 1.251 187 F CB 0.503 39.229 39.000 -0.457 0.000 1.132 187 F HN -0.106 nan 8.300 nan 0.000 0.570 188 A N 6.998 129.050 122.820 -1.280 0.000 2.515 188 A HA 0.747 5.068 4.320 0.001 0.000 0.298 188 A C -2.073 174.739 177.584 -1.286 0.000 1.059 188 A CA -0.767 50.668 52.037 -1.004 0.000 0.698 188 A CB 1.526 20.190 19.000 -0.561 0.000 1.289 188 A HN 1.003 nan 8.150 nan 0.000 0.404 189 L N 1.834 122.562 121.223 -0.825 0.000 2.431 189 L HA 0.841 5.181 4.340 0.001 0.000 0.266 189 L C -1.802 174.802 176.870 -0.443 0.000 0.978 189 L CA -0.647 53.809 54.840 -0.640 0.000 0.822 189 L CB 2.128 43.832 42.059 -0.591 0.000 1.310 189 L HN 0.545 nan 8.230 nan 0.000 0.409 190 V N 3.549 123.226 119.914 -0.395 0.000 2.760 190 V HA 0.900 5.021 4.120 0.001 0.000 0.309 190 V C -0.520 175.504 176.094 -0.116 0.000 1.077 190 V CA -0.288 61.857 62.300 -0.258 0.000 0.910 190 V CB 1.771 33.394 31.823 -0.333 0.000 1.008 190 V HN 0.881 nan 8.190 nan 0.000 0.424 191 A N 2.845 125.668 122.820 0.005 0.000 2.398 191 A HA 1.050 5.371 4.320 0.001 0.000 0.301 191 A C -0.047 177.764 177.584 0.377 0.000 1.041 191 A CA 0.130 52.245 52.037 0.130 0.000 0.711 191 A CB 1.887 20.760 19.000 -0.211 0.000 1.240 191 A HN 1.760 nan 8.150 nan 0.000 0.420 192 G N 0.382 109.464 108.800 0.471 0.000 2.323 192 G HA2 0.447 4.407 3.960 0.001 0.000 0.291 192 G HA3 0.447 4.407 3.960 0.001 0.000 0.291 192 G C -2.142 172.659 174.900 -0.166 0.000 1.278 192 G CA -0.177 44.967 45.100 0.073 0.000 0.860 192 G HN 0.865 nan 8.290 nan 0.000 0.504 193 D N -0.540 119.519 120.400 -0.569 0.000 2.344 193 D HA 0.723 5.364 4.640 0.001 0.000 0.239 193 D C -0.985 174.963 176.300 -0.586 0.000 1.064 193 D CA -0.229 53.623 54.000 -0.245 0.000 0.829 193 D CB 0.802 41.528 40.800 -0.124 0.000 1.129 193 D HN 0.249 nan 8.370 nan 0.000 0.506 194 F N 1.157 121.210 119.950 0.171 0.000 2.613 194 F HA 0.363 4.890 4.527 0.001 0.000 0.314 194 F C 0.260 176.013 175.800 -0.079 0.000 1.075 194 F CA -1.105 56.870 58.000 -0.040 0.000 0.945 194 F CB 1.496 40.406 39.000 -0.151 0.000 1.310 194 F HN 0.106 nan 8.300 nan 0.000 0.467 195 D N 1.165 121.640 120.400 0.125 0.000 2.304 195 D HA 0.520 5.160 4.640 0.001 0.000 0.247 195 D C -0.814 175.410 176.300 -0.127 0.000 1.089 195 D CA 0.160 54.170 54.000 0.017 0.000 0.910 195 D CB 1.967 42.778 40.800 0.017 0.000 1.199 195 D HN 0.149 nan 8.370 nan 0.000 0.426 196 V N 2.838 122.627 119.914 -0.208 0.000 2.483 196 V HA 0.228 4.349 4.120 0.001 0.000 0.297 196 V C -0.370 175.568 176.094 -0.259 0.000 1.027 196 V CA -0.956 61.092 62.300 -0.419 0.000 0.855 196 V CB 1.819 33.270 31.823 -0.621 0.000 0.995 196 V HN 0.299 nan 8.190 nan 0.000 0.424 197 L N 6.278 127.346 121.223 -0.258 0.000 2.264 197 L HA 0.635 4.975 4.340 0.001 0.000 0.289 197 L C 0.036 176.802 176.870 -0.174 0.000 1.044 197 L CA 0.205 54.945 54.840 -0.166 0.000 0.807 197 L CB 0.764 42.745 42.059 -0.130 0.000 1.192 197 L HN 0.625 nan 8.230 nan 0.000 0.425 198 R N 3.849 124.280 120.500 -0.114 0.000 2.562 198 R HA 0.631 4.971 4.340 0.001 0.000 0.298 198 R C -1.162 175.111 176.300 -0.047 0.000 0.961 198 R CA -0.801 55.250 56.100 -0.082 0.000 0.881 198 R CB 1.765 32.033 30.300 -0.054 0.000 1.159 198 R HN 0.627 nan 8.270 nan 0.000 0.450 199 D N 0.086 120.467 120.400 -0.032 0.000 2.825 199 D HA 0.351 4.992 4.640 0.001 0.000 0.327 199 D C -1.328 174.981 176.300 0.015 0.000 1.277 199 D CA -0.166 53.826 54.000 -0.013 0.000 0.950 199 D CB 2.361 43.143 40.800 -0.029 0.000 1.438 199 D HN 0.510 nan 8.370 nan 0.000 0.526 200 T N -1.650 112.924 114.554 0.032 0.000 2.916 200 T HA 0.670 5.021 4.350 0.001 0.000 0.305 200 T C -1.378 173.389 174.700 0.112 0.000 1.119 200 T CA -0.727 61.412 62.100 0.065 0.000 1.008 200 T CB 1.068 69.960 68.868 0.040 0.000 1.129 200 T HN 0.237 nan 8.240 nan 0.000 0.480 201 F N 1.719 121.654 119.950 -0.025 0.000 2.529 201 F HA 0.632 5.159 4.527 0.001 0.000 0.320 201 F C -0.518 175.292 175.800 0.016 0.000 1.118 201 F CA -0.378 57.604 58.000 -0.030 0.000 0.915 201 F CB 2.253 41.201 39.000 -0.086 0.000 1.161 201 F HN 0.737 nan 8.300 nan 0.000 0.445 202 T N 4.339 118.507 114.554 -0.644 0.000 2.743 202 T HA 0.313 4.664 4.350 0.001 0.000 0.292 202 T C 0.182 174.530 174.700 -0.586 0.000 0.972 202 T CA -0.495 61.364 62.100 -0.402 0.000 0.967 202 T CB 0.768 69.477 68.868 -0.264 0.000 0.926 202 T HN 0.764 nan 8.240 nan 0.000 0.459 203 T N 0.843 115.337 114.554 -0.100 0.000 2.748 203 T HA 0.130 4.480 4.350 0.001 0.000 0.304 203 T C 1.598 176.309 174.700 0.018 0.000 1.041 203 T CA -0.643 61.527 62.100 0.117 0.000 1.033 203 T CB 0.600 69.636 68.868 0.281 0.000 0.995 203 T HN 0.717 nan 8.240 nan 0.000 0.536 204 R N 0.512 121.064 120.500 0.086 0.000 2.189 204 R HA -0.021 4.319 4.340 0.001 0.000 0.223 204 R C 2.021 178.341 176.300 0.034 0.000 1.092 204 R CA 1.413 57.538 56.100 0.042 0.000 0.989 204 R CB -0.589 29.750 30.300 0.065 0.000 0.876 204 R HN 0.668 nan 8.270 nan 0.000 0.457 205 S N -1.070 114.664 115.700 0.057 0.000 2.575 205 S HA 0.281 4.752 4.470 0.001 0.000 0.215 205 S C 1.314 175.938 174.600 0.040 0.000 0.966 205 S CA -0.031 58.198 58.200 0.048 0.000 0.911 205 S CB 0.725 63.963 63.200 0.063 0.000 0.780 205 S HN 0.647 nan 8.310 nan 0.000 0.514 206 G N 1.521 110.339 108.800 0.031 0.000 2.179 206 G HA2 -0.240 3.721 3.960 0.001 0.000 0.220 206 G HA3 -0.240 3.721 3.960 0.001 0.000 0.220 206 G C 0.035 174.957 174.900 0.036 0.000 0.990 206 G CA -0.189 44.920 45.100 0.016 0.000 0.646 206 G HN 0.670 nan 8.290 nan 0.000 0.517 207 R N 1.236 121.781 120.500 0.075 0.000 2.421 207 R HA 0.345 4.685 4.340 0.001 0.000 0.305 207 R C -0.070 176.298 176.300 0.112 0.000 1.039 207 R CA -0.038 56.127 56.100 0.108 0.000 1.003 207 R CB 0.251 30.646 30.300 0.157 0.000 0.959 207 R HN 0.409 nan 8.270 nan 0.000 0.427 208 E N 4.091 124.349 120.200 0.097 0.000 2.130 208 E HA 0.162 4.513 4.350 0.001 0.000 0.284 208 E C -1.173 175.521 176.600 0.156 0.000 1.018 208 E CA -0.615 55.841 56.400 0.092 0.000 0.817 208 E CB 1.135 30.870 29.700 0.058 0.000 1.078 208 E HN 0.335 nan 8.360 nan 0.000 0.396 209 V N 3.809 123.848 119.914 0.208 0.000 2.370 209 V HA 0.429 4.550 4.120 0.001 0.000 0.283 209 V C 0.205 176.417 176.094 0.196 0.000 1.023 209 V CA -0.842 61.618 62.300 0.267 0.000 0.857 209 V CB 1.248 33.297 31.823 0.378 0.000 0.985 209 V HN 0.818 nan 8.190 nan 0.000 0.443 210 A N 6.793 129.722 122.820 0.182 0.000 2.409 210 A HA 0.664 4.985 4.320 0.001 0.000 0.267 210 A C -0.337 177.328 177.584 0.135 0.000 1.127 210 A CA -0.158 51.961 52.037 0.137 0.000 0.795 210 A CB -0.087 18.995 19.000 0.136 0.000 1.061 210 A HN 0.820 nan 8.150 nan 0.000 0.502 211 L N 2.698 123.966 121.223 0.075 0.000 2.307 211 L HA 0.523 4.864 4.340 0.001 0.000 0.284 211 L C -0.067 176.802 176.870 -0.002 0.000 1.023 211 L CA -0.188 54.672 54.840 0.032 0.000 0.810 211 L CB 1.416 43.446 42.059 -0.048 0.000 1.231 211 L HN 0.730 nan 8.230 nan 0.000 0.423 212 E N 3.727 123.930 120.200 0.006 0.000 2.260 212 E HA 0.404 4.754 4.350 0.001 0.000 0.266 212 E C -1.507 175.008 176.600 -0.142 0.000 0.887 212 E CA -0.775 55.564 56.400 -0.102 0.000 0.777 212 E CB 3.073 32.766 29.700 -0.012 0.000 1.205 212 E HN 0.235 nan 8.360 nan 0.000 0.414 213 L N 3.986 125.039 121.223 -0.282 0.000 2.294 213 L HA 0.395 4.735 4.340 0.001 0.000 0.283 213 L C -1.769 174.878 176.870 -0.372 0.000 1.015 213 L CA -0.524 54.168 54.840 -0.246 0.000 0.831 213 L CB 0.220 42.147 42.059 -0.219 0.000 1.217 213 L HN 0.426 nan 8.230 nan 0.000 0.420 214 Y N 4.921 125.026 120.300 -0.325 0.000 2.326 214 Y HA 0.609 5.159 4.550 0.001 0.000 0.337 214 Y C 0.384 176.087 175.900 -0.329 0.000 1.023 214 Y CA -0.439 57.398 58.100 -0.437 0.000 1.143 214 Y CB 1.526 39.486 38.460 -0.834 0.000 1.183 214 Y HN 0.524 nan 8.280 nan 0.000 0.485 215 V N -0.915 118.989 119.914 -0.016 0.000 3.102 215 V HA 0.551 4.671 4.120 0.001 0.000 0.312 215 V C -0.611 175.635 176.094 0.253 0.000 1.135 215 V CA -1.312 61.035 62.300 0.078 0.000 1.022 215 V CB 1.951 33.775 31.823 0.001 0.000 1.056 215 V HN 0.489 nan 8.190 nan 0.000 0.436 216 D N 1.957 122.487 120.400 0.216 0.000 2.449 216 D HA 0.164 4.805 4.640 0.001 0.000 0.236 216 D C 0.389 176.745 176.300 0.094 0.000 1.149 216 D CA 0.180 54.279 54.000 0.165 0.000 0.878 216 D CB 0.387 41.251 40.800 0.107 0.000 1.198 216 D HN 0.436 nan 8.370 nan 0.000 0.446 217 R N 0.878 121.412 120.500 0.057 0.000 2.537 217 R HA 0.239 4.579 4.340 0.001 0.000 0.281 217 R C 1.326 177.643 176.300 0.029 0.000 0.988 217 R CA 0.740 56.863 56.100 0.038 0.000 1.077 217 R CB -0.310 30.001 30.300 0.019 0.000 0.932 217 R HN 0.805 nan 8.270 nan 0.000 0.409 218 G N 2.568 111.382 108.800 0.024 0.000 2.194 218 G HA2 -0.260 3.701 3.960 0.001 0.000 0.236 218 G HA3 -0.260 3.701 3.960 0.001 0.000 0.236 218 G C 0.573 175.482 174.900 0.015 0.000 0.987 218 G CA 0.047 45.156 45.100 0.016 0.000 0.635 218 G HN 0.552 nan 8.290 nan 0.000 0.520 219 N N 0.205 118.916 118.700 0.018 0.000 2.270 219 N HA 0.278 5.018 4.740 0.001 0.000 0.198 219 N C 2.184 177.693 175.510 -0.001 0.000 1.117 219 N CA 0.140 53.196 53.050 0.010 0.000 0.845 219 N CB -0.007 38.489 38.487 0.014 0.000 0.980 219 N HN 0.471 nan 8.380 nan 0.000 0.486 220 L N 0.971 122.193 121.223 -0.002 0.000 2.127 220 L HA -0.206 4.135 4.340 0.001 0.000 0.211 220 L C 1.697 178.565 176.870 -0.004 0.000 1.089 220 L CA 1.228 56.061 54.840 -0.012 0.000 0.757 220 L CB -0.318 41.733 42.059 -0.013 0.000 0.899 220 L HN 0.171 nan 8.230 nan 0.000 0.434 221 D N -0.187 120.216 120.400 0.005 0.000 2.378 221 D HA -0.210 4.430 4.640 0.001 0.000 0.222 221 D C 1.669 177.981 176.300 0.020 0.000 0.980 221 D CA 0.937 54.946 54.000 0.015 0.000 0.907 221 D CB -0.113 40.697 40.800 0.017 0.000 0.899 221 D HN 0.269 nan 8.370 nan 0.000 0.527 222 R N -0.793 119.712 120.500 0.008 0.000 2.543 222 R HA 0.463 4.804 4.340 0.001 0.000 0.323 222 R C 1.406 177.708 176.300 0.003 0.000 1.002 222 R CA 0.393 56.495 56.100 0.003 0.000 1.106 222 R CB 0.898 31.185 30.300 -0.021 0.000 1.280 222 R HN 0.171 nan 8.270 nan 0.000 0.549 223 A N 1.157 123.977 122.820 -0.001 0.000 1.997 223 A HA 0.190 4.510 4.320 0.001 0.000 0.212 223 A C -0.865 176.715 177.584 -0.007 0.000 1.178 223 A CA 0.274 52.294 52.037 -0.028 0.000 0.698 223 A CB -0.461 18.503 19.000 -0.061 0.000 0.842 223 A HN 0.041 nan 8.150 nan 0.000 0.458 224 P HA -0.201 nan 4.420 nan 0.000 0.218 224 P C 1.507 178.878 177.300 0.118 0.000 1.148 224 P CA 1.047 64.183 63.100 0.060 0.000 0.822 224 P CB -0.214 31.540 31.700 0.090 0.000 0.784 225 W N 0.695 122.002 121.300 0.011 0.000 2.381 225 W HA -0.155 4.505 4.660 0.001 0.000 0.301 225 W C 1.935 178.450 176.519 -0.008 0.000 1.205 225 W CA 1.307 58.681 57.345 0.049 0.000 1.285 225 W CB -0.462 29.085 29.460 0.146 0.000 1.133 225 W HN -0.084 nan 8.180 nan 0.000 0.521 226 A N 0.993 123.704 122.820 -0.181 0.000 1.902 226 A HA -0.286 4.035 4.320 0.001 0.000 0.217 226 A C 1.875 179.236 177.584 -0.371 0.000 1.181 226 A CA 2.242 54.077 52.037 -0.338 0.000 0.623 226 A CB -1.006 17.848 19.000 -0.244 0.000 0.818 226 A HN 0.400 nan 8.150 nan 0.000 0.443 227 M N -0.054 119.390 119.600 -0.260 0.000 2.117 227 M HA -0.088 4.393 4.480 0.001 0.000 0.262 227 M C 1.977 178.121 176.300 -0.260 0.000 1.065 227 M CA 2.468 57.624 55.300 -0.240 0.000 1.114 227 M CB -0.985 31.525 32.600 -0.151 0.000 1.361 227 M HN 0.348 nan 8.290 nan 0.000 0.408 228 T N -0.147 114.256 114.554 -0.250 0.000 2.720 228 T HA -0.110 4.241 4.350 0.001 0.000 0.268 228 T C 1.898 176.361 174.700 -0.395 0.000 1.037 228 T CA 1.855 63.804 62.100 -0.252 0.000 1.144 228 T CB -0.442 68.327 68.868 -0.165 0.000 0.864 228 T HN 0.446 nan 8.240 nan 0.000 0.444 229 S N 1.147 116.461 115.700 -0.643 0.000 2.383 229 S HA -0.011 4.460 4.470 0.001 0.000 0.227 229 S C 1.902 176.269 174.600 -0.388 0.000 1.026 229 S CA 0.514 58.378 58.200 -0.560 0.000 0.981 229 S CB -0.423 62.354 63.200 -0.705 0.000 0.818 229 S HN 0.258 nan 8.310 nan 0.000 0.472 230 L N 2.137 123.088 121.223 -0.452 0.000 2.017 230 L HA -0.052 4.289 4.340 0.001 0.000 0.208 230 L C 1.930 178.415 176.870 -0.641 0.000 1.073 230 L CA 1.841 56.335 54.840 -0.577 0.000 0.745 230 L CB -0.588 41.123 42.059 -0.580 0.000 0.894 230 L HN 0.107 nan 8.230 nan 0.000 0.432 231 K N -0.552 119.580 120.400 -0.447 0.000 2.057 231 K HA -0.150 4.170 4.320 0.001 0.000 0.207 231 K C 1.884 178.313 176.600 -0.283 0.000 1.049 231 K CA 1.439 57.506 56.287 -0.366 0.000 0.931 231 K CB -0.370 32.104 32.500 -0.044 0.000 0.714 231 K HN 0.376 nan 8.250 nan 0.000 0.440 232 N N 0.758 119.371 118.700 -0.147 0.000 2.166 232 N HA -0.140 4.601 4.740 0.001 0.000 0.186 232 N C 1.929 177.497 175.510 0.096 0.000 1.019 232 N CA 1.747 54.834 53.050 0.062 0.000 0.856 232 N CB -0.338 38.236 38.487 0.146 0.000 0.993 232 N HN 0.243 nan 8.380 nan 0.000 0.426 233 S N 0.288 115.841 115.700 -0.244 0.000 2.387 233 S HA -0.033 4.438 4.470 0.001 0.000 0.226 233 S C 2.047 176.423 174.600 -0.373 0.000 1.026 233 S CA 0.665 58.538 58.200 -0.545 0.000 0.972 233 S CB -0.281 62.348 63.200 -0.952 0.000 0.814 233 S HN 0.178 nan 8.310 nan 0.000 0.477 234 M N 1.056 120.135 119.600 -0.869 0.000 2.086 234 M HA -0.038 4.442 4.480 0.001 0.000 0.261 234 M C 2.483 178.595 176.300 -0.313 0.000 1.067 234 M CA 1.848 56.555 55.300 -0.988 0.000 1.116 234 M CB -0.387 31.111 32.600 -1.836 0.000 1.348 234 M HN 0.262 nan 8.290 nan 0.000 0.407 235 K N -0.099 120.216 120.400 -0.143 0.000 2.057 235 K HA -0.213 4.107 4.320 0.001 0.000 0.207 235 K C 1.630 178.394 176.600 0.273 0.000 1.049 235 K CA 1.681 58.120 56.287 0.254 0.000 0.931 235 K CB -0.589 32.106 32.500 0.324 0.000 0.714 235 K HN 0.463 nan 8.250 nan 0.000 0.440 236 W N 1.299 122.683 121.300 0.139 0.000 2.358 236 W HA -0.147 4.514 4.660 0.001 0.000 0.303 236 W C 1.574 178.197 176.519 0.173 0.000 1.208 236 W CA 1.793 59.259 57.345 0.203 0.000 1.274 236 W CB -0.357 29.326 29.460 0.373 0.000 1.138 236 W HN 0.178 nan 8.180 nan 0.000 0.515 237 D N 0.177 120.773 120.400 0.327 0.000 2.178 237 D HA -0.183 4.458 4.640 0.001 0.000 0.201 237 D C 1.871 178.182 176.300 0.018 0.000 0.980 237 D CA 1.533 55.599 54.000 0.110 0.000 0.842 237 D CB -0.161 40.909 40.800 0.450 0.000 0.948 237 D HN 0.380 nan 8.370 nan 0.000 0.472 238 E N 0.217 120.474 120.200 0.094 0.000 2.031 238 E HA -0.165 4.186 4.350 0.001 0.000 0.193 238 E C 2.101 178.686 176.600 -0.025 0.000 0.994 238 E CA 0.903 57.343 56.400 0.066 0.000 0.800 238 E CB -0.050 29.741 29.700 0.151 0.000 0.752 238 E HN 0.422 nan 8.360 nan 0.000 0.447 239 E N 0.286 120.455 120.200 -0.051 0.000 2.051 239 E HA -0.204 4.147 4.350 0.001 0.000 0.192 239 E C 2.215 178.678 176.600 -0.228 0.000 0.991 239 E CA 0.974 57.314 56.400 -0.100 0.000 0.799 239 E CB -0.007 29.664 29.700 -0.048 0.000 0.748 239 E HN -0.047 nan 8.360 nan 0.000 0.449 240 R N -0.253 119.967 120.500 -0.466 0.000 2.090 240 R HA 0.015 4.355 4.340 0.001 0.000 0.219 240 R C 1.298 177.297 176.300 -0.501 0.000 1.100 240 R CA 1.135 56.881 56.100 -0.591 0.000 0.991 240 R CB -0.003 29.601 30.300 -1.160 0.000 0.893 240 R HN 0.080 nan 8.270 nan 0.000 0.443 241 F N -0.972 118.730 119.950 -0.413 0.000 2.706 241 F HA 0.371 4.898 4.527 0.001 0.000 0.308 241 F C 1.188 176.888 175.800 -0.167 0.000 1.095 241 F CA 0.427 58.300 58.000 -0.213 0.000 1.244 241 F CB 1.126 40.014 39.000 -0.187 0.000 1.063 241 F HN 0.266 nan 8.300 nan 0.000 0.582 242 G N 1.699 110.475 108.800 -0.039 0.000 2.198 242 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 242 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 242 G C -0.142 174.683 174.900 -0.125 0.000 1.025 242 G CA -0.038 45.024 45.100 -0.063 0.000 0.769 242 G HN 0.274 nan 8.290 nan 0.000 0.507 243 L N -0.057 121.086 121.223 -0.134 0.000 2.307 243 L HA 0.618 4.958 4.340 0.001 0.000 0.284 243 L C 0.423 177.311 176.870 0.031 0.000 1.023 243 L CA -0.768 53.889 54.840 -0.305 0.000 0.810 243 L CB 1.511 43.243 42.059 -0.546 0.000 1.231 243 L HN 0.172 nan 8.230 nan 0.000 0.423 244 E N 1.167 121.452 120.200 0.143 0.000 2.221 244 E HA 0.273 4.624 4.350 0.001 0.000 0.268 244 E C -1.334 175.598 176.600 0.554 0.000 0.933 244 E CA -0.927 55.684 56.400 0.351 0.000 0.809 244 E CB 2.371 32.235 29.700 0.274 0.000 1.190 244 E HN 0.306 nan 8.360 nan 0.000 0.406 245 Y N 2.366 122.918 120.300 0.419 0.000 2.457 245 Y HA -0.053 4.497 4.550 0.001 0.000 0.341 245 Y C 0.798 176.853 175.900 0.259 0.000 1.240 245 Y CA 0.345 58.660 58.100 0.359 0.000 1.437 245 Y CB 0.595 39.294 38.460 0.397 0.000 1.328 245 Y HN 0.535 nan 8.280 nan 0.000 0.588 246 D N 2.111 122.179 120.400 -0.553 0.000 2.469 246 D HA 0.142 4.783 4.640 0.001 0.000 0.213 246 D C -0.327 175.796 176.300 -0.295 0.000 1.135 246 D CA 0.259 54.069 54.000 -0.318 0.000 0.834 246 D CB -0.110 40.451 40.800 -0.399 0.000 1.009 246 D HN 0.397 nan 8.370 nan 0.000 0.507 247 L N -0.170 120.636 121.223 -0.695 0.000 2.235 247 L HA 0.386 4.727 4.340 0.001 0.000 0.260 247 L C 0.199 177.122 176.870 0.089 0.000 1.025 247 L CA -0.824 53.887 54.840 -0.215 0.000 0.836 247 L CB 1.842 43.800 42.059 -0.169 0.000 1.395 247 L HN -0.345 nan 8.230 nan 0.000 0.443 248 D N -0.234 120.282 120.400 0.193 0.000 2.305 248 D HA 0.225 4.866 4.640 0.001 0.000 0.206 248 D C -0.251 176.228 176.300 0.297 0.000 0.974 248 D CA 0.895 55.032 54.000 0.228 0.000 0.871 248 D CB 0.472 41.369 40.800 0.162 0.000 0.947 248 D HN 0.146 nan 8.370 nan 0.000 0.516 249 I N -0.690 120.097 120.570 0.362 0.000 2.686 249 I HA 0.326 4.496 4.170 0.001 0.000 0.295 249 I C -1.588 174.762 176.117 0.388 0.000 1.114 249 I CA -1.252 60.247 61.300 0.330 0.000 1.038 249 I CB 2.451 40.613 38.000 0.270 0.000 1.238 249 I HN -0.204 nan 8.210 nan 0.000 0.420 250 Y N 5.759 126.135 120.300 0.127 0.000 2.363 250 Y HA 0.592 5.142 4.550 0.001 0.000 0.325 250 Y C -0.812 175.074 175.900 -0.023 0.000 0.984 250 Y CA -0.640 57.441 58.100 -0.031 0.000 1.248 250 Y CB 1.457 39.720 38.460 -0.329 0.000 1.116 250 Y HN 0.461 nan 8.280 nan 0.000 0.470 251 M N 6.854 126.425 119.600 -0.048 0.000 2.363 251 M HA 0.538 5.019 4.480 0.001 0.000 0.343 251 M C -1.168 175.110 176.300 -0.038 0.000 1.165 251 M CA -0.447 54.867 55.300 0.023 0.000 1.046 251 M CB 1.813 34.381 32.600 -0.053 0.000 1.648 251 M HN 0.477 nan 8.290 nan 0.000 0.452 252 I N 2.409 122.986 120.570 0.011 0.000 2.498 252 I HA 0.499 4.670 4.170 0.001 0.000 0.290 252 I C -1.038 175.008 176.117 -0.118 0.000 1.032 252 I CA -0.994 60.253 61.300 -0.087 0.000 1.073 252 I CB 2.278 40.130 38.000 -0.246 0.000 1.251 252 I HN 0.321 nan 8.210 nan 0.000 0.426 253 V N 4.992 124.795 119.914 -0.184 0.000 2.409 253 V HA 0.597 4.717 4.120 0.001 0.000 0.291 253 V C 0.214 176.193 176.094 -0.193 0.000 1.020 253 V CA -0.664 61.473 62.300 -0.272 0.000 0.848 253 V CB 1.625 33.175 31.823 -0.456 0.000 0.990 253 V HN 0.808 nan 8.190 nan 0.000 0.430 254 A N 5.201 127.927 122.820 -0.156 0.000 2.269 254 A HA 0.772 5.093 4.320 0.001 0.000 0.302 254 A C -0.194 177.368 177.584 -0.037 0.000 1.266 254 A CA -0.392 51.597 52.037 -0.079 0.000 0.894 254 A CB 0.743 19.706 19.000 -0.062 0.000 1.147 254 A HN 1.322 nan 8.150 nan 0.000 0.537 255 V N 0.187 120.069 119.914 -0.054 0.000 2.815 255 V HA 0.559 4.679 4.120 0.001 0.000 0.314 255 V C 0.021 176.158 176.094 0.073 0.000 1.064 255 V CA -0.635 61.690 62.300 0.042 0.000 0.952 255 V CB 1.915 33.762 31.823 0.041 0.000 1.020 255 V HN 0.659 nan 8.190 nan 0.000 0.439 256 D N 1.480 121.960 120.400 0.133 0.000 2.249 256 D HA 0.166 4.806 4.640 0.001 0.000 0.205 256 D C 0.033 176.234 176.300 -0.165 0.000 0.962 256 D CA 1.466 55.445 54.000 -0.034 0.000 0.860 256 D CB 0.014 40.759 40.800 -0.091 0.000 0.955 256 D HN 0.593 nan 8.370 nan 0.000 0.505 257 F N 0.310 120.377 119.950 0.194 0.000 2.347 257 F HA 0.391 4.918 4.527 0.001 0.000 0.366 257 F C -0.478 175.572 175.800 0.415 0.000 1.107 257 F CA -0.873 57.270 58.000 0.238 0.000 1.058 257 F CB 0.873 40.019 39.000 0.244 0.000 1.236 257 F HN -0.337 nan 8.300 nan 0.000 0.456 258 F N 2.733 122.785 119.950 0.170 0.000 2.623 258 F HA 0.326 4.853 4.527 0.001 0.000 0.323 258 F C 0.191 176.001 175.800 0.016 0.000 1.158 258 F CA -1.079 56.998 58.000 0.129 0.000 1.030 258 F CB 1.368 40.441 39.000 0.121 0.000 1.280 258 F HN 0.206 nan 8.300 nan 0.000 0.474 259 N N 4.761 123.236 118.700 -0.375 0.000 2.461 259 N HA 0.095 4.836 4.740 0.001 0.000 0.188 259 N C -0.189 175.146 175.510 -0.292 0.000 1.134 259 N CA 0.663 53.528 53.050 -0.308 0.000 0.878 259 N CB -0.033 38.235 38.487 -0.366 0.000 0.972 259 N HN 0.683 nan 8.380 nan 0.000 0.456 260 M N -4.853 114.572 119.600 -0.292 0.000 2.948 260 M HA 0.556 5.037 4.480 0.001 0.000 0.278 260 M C 0.991 177.417 176.300 0.211 0.000 1.293 260 M CA -0.953 54.292 55.300 -0.092 0.000 0.777 260 M CB 0.772 33.260 32.600 -0.186 0.000 1.713 260 M HN -0.250 nan 8.290 nan 0.000 0.444 261 G N 0.182 109.094 108.800 0.187 0.000 2.394 261 G HA2 0.471 4.431 3.960 0.001 0.000 0.215 261 G HA3 0.471 4.431 3.960 0.001 0.000 0.215 261 G C 0.288 175.323 174.900 0.225 0.000 1.165 261 G CA 0.794 46.093 45.100 0.331 0.000 0.784 261 G HN 1.183 nan 8.290 nan 0.000 0.535 262 A N -2.039 120.829 122.820 0.079 0.000 2.515 262 A HA 0.686 5.006 4.320 0.001 0.000 0.292 262 A C -1.788 175.800 177.584 0.006 0.000 1.065 262 A CA -0.369 51.531 52.037 -0.229 0.000 0.641 262 A CB 1.073 19.352 19.000 -1.201 0.000 1.306 262 A HN 0.595 nan 8.150 nan 0.000 0.441 263 M N 1.033 120.602 119.600 -0.052 0.000 2.322 263 M HA 0.427 4.907 4.480 0.001 0.000 0.286 263 M C -0.211 176.117 176.300 0.047 0.000 1.111 263 M CA -0.242 55.120 55.300 0.104 0.000 0.941 263 M CB 1.988 34.752 32.600 0.274 0.000 1.671 263 M HN 0.760 nan 8.290 nan 0.000 0.470 264 E N 2.530 122.765 120.200 0.058 0.000 2.301 264 E HA 0.065 4.415 4.350 0.001 0.000 0.195 264 E C -0.956 175.607 176.600 -0.062 0.000 1.171 264 E CA -0.089 56.333 56.400 0.035 0.000 1.142 264 E CB -0.823 28.904 29.700 0.045 0.000 1.218 264 E HN 0.694 nan 8.360 nan 0.000 0.448 265 N N 2.318 120.965 118.700 -0.089 0.000 2.357 265 N HA -0.083 4.658 4.740 0.001 0.000 0.257 265 N C 0.079 175.444 175.510 -0.243 0.000 1.250 265 N CA 0.352 53.286 53.050 -0.193 0.000 0.862 265 N CB 0.533 38.884 38.487 -0.227 0.000 1.066 265 N HN 0.134 nan 8.380 nan 0.000 0.468 266 K N 1.315 121.550 120.400 -0.275 0.000 2.430 266 K HA 0.053 4.373 4.320 0.001 0.000 0.280 266 K C 1.155 177.601 176.600 -0.257 0.000 1.063 266 K CA 0.869 57.002 56.287 -0.258 0.000 1.071 266 K CB -0.547 31.803 32.500 -0.250 0.000 0.899 266 K HN 0.719 nan 8.250 nan 0.000 0.473 267 G N 3.155 111.789 108.800 -0.277 0.000 2.196 267 G HA2 -0.272 3.688 3.960 0.001 0.000 0.268 267 G HA3 -0.272 3.688 3.960 0.001 0.000 0.268 267 G C -0.148 174.519 174.900 -0.388 0.000 0.975 267 G CA 0.605 45.529 45.100 -0.294 0.000 0.648 267 G HN 0.647 nan 8.290 nan 0.000 0.538 268 L N 1.002 121.991 121.223 -0.389 0.000 2.448 268 L HA 0.434 4.775 4.340 0.001 0.000 0.257 268 L C -0.111 176.593 176.870 -0.276 0.000 1.504 268 L CA -1.081 53.538 54.840 -0.368 0.000 0.852 268 L CB -0.238 41.545 42.059 -0.460 0.000 1.051 268 L HN 0.256 nan 8.230 nan 0.000 0.518 269 N N 2.938 121.529 118.700 -0.183 0.000 2.492 269 N HA 0.436 5.177 4.740 0.001 0.000 0.260 269 N C -0.719 174.810 175.510 0.030 0.000 1.215 269 N CA -0.068 52.992 53.050 0.016 0.000 0.923 269 N CB 1.137 39.824 38.487 0.333 0.000 1.092 269 N HN 0.389 nan 8.380 nan 0.000 0.448 270 I N 2.422 122.990 120.570 -0.002 0.000 2.406 270 I HA 0.336 4.507 4.170 0.001 0.000 0.290 270 I C -0.961 174.984 176.117 -0.288 0.000 0.999 270 I CA -0.527 60.674 61.300 -0.164 0.000 1.124 270 I CB 0.887 38.731 38.000 -0.259 0.000 1.289 270 I HN 0.303 nan 8.210 nan 0.000 0.441 271 F N 4.333 123.982 119.950 -0.503 0.000 2.508 271 F HA 0.347 4.874 4.527 0.001 0.000 0.325 271 F C 0.622 176.157 175.800 -0.443 0.000 1.090 271 F CA -0.868 56.917 58.000 -0.358 0.000 0.945 271 F CB 1.317 40.238 39.000 -0.132 0.000 1.156 271 F HN 0.399 nan 8.300 nan 0.000 0.463 272 N N 1.380 120.019 118.700 -0.101 0.000 2.412 272 N HA -0.071 4.669 4.740 0.001 0.000 0.258 272 N C 0.876 176.429 175.510 0.073 0.000 1.236 272 N CA 0.476 53.561 53.050 0.058 0.000 0.882 272 N CB 1.128 39.742 38.487 0.211 0.000 1.066 272 N HN 0.631 nan 8.380 nan 0.000 0.465 273 S N 3.425 119.129 115.700 0.007 0.000 2.420 273 S HA -0.193 4.278 4.470 0.001 0.000 0.237 273 S C 1.647 176.216 174.600 -0.052 0.000 1.023 273 S CA 1.069 59.261 58.200 -0.012 0.000 0.991 273 S CB -0.085 63.096 63.200 -0.033 0.000 0.792 273 S HN 0.692 nan 8.310 nan 0.000 0.488 274 K N 0.077 120.393 120.400 -0.140 0.000 2.218 274 K HA -0.152 4.168 4.320 0.001 0.000 0.205 274 K C 0.439 176.843 176.600 -0.328 0.000 1.046 274 K CA 1.277 57.377 56.287 -0.312 0.000 0.933 274 K CB -0.123 32.061 32.500 -0.527 0.000 0.728 274 K HN 0.405 nan 8.250 nan 0.000 0.454 275 Y N -0.620 119.740 120.300 0.100 0.000 2.658 275 Y HA 0.142 4.692 4.550 0.001 0.000 0.276 275 Y C 1.006 177.017 175.900 0.185 0.000 1.167 275 Y CA -0.406 57.794 58.100 0.167 0.000 1.230 275 Y CB 0.865 39.452 38.460 0.212 0.000 1.144 275 Y HN -0.145 nan 8.280 nan 0.000 0.529 276 V N -1.617 118.387 119.914 0.150 0.000 3.102 276 V HA 0.113 4.234 4.120 0.001 0.000 0.225 276 V C 0.492 176.574 176.094 -0.021 0.000 1.301 276 V CA -0.081 62.219 62.300 -0.001 0.000 1.308 276 V CB 0.386 32.154 31.823 -0.092 0.000 1.129 276 V HN -0.067 nan 8.190 nan 0.000 0.502 277 L N 1.975 123.173 121.223 -0.041 0.000 2.313 277 L HA 0.684 5.024 4.340 0.001 0.000 0.282 277 L C -0.164 176.638 176.870 -0.114 0.000 1.092 277 L CA 0.135 54.937 54.840 -0.064 0.000 0.831 277 L CB 0.696 42.717 42.059 -0.063 0.000 1.159 277 L HN 0.320 nan 8.230 nan 0.000 0.442 278 A N 5.166 127.913 122.820 -0.122 0.000 2.459 278 A HA 0.823 5.143 4.320 0.001 0.000 0.296 278 A C -0.799 176.710 177.584 -0.124 0.000 1.039 278 A CA -0.764 51.113 52.037 -0.266 0.000 0.698 278 A CB 1.692 20.305 19.000 -0.646 0.000 1.261 278 A HN 0.841 nan 8.150 nan 0.000 0.405 279 R N -0.174 120.270 120.500 -0.093 0.000 2.799 279 R HA 0.672 5.012 4.340 0.001 0.000 0.270 279 R C 0.550 176.888 176.300 0.063 0.000 1.010 279 R CA -0.092 56.035 56.100 0.044 0.000 0.916 279 R CB 0.869 31.187 30.300 0.030 0.000 1.228 279 R HN 0.644 nan 8.270 nan 0.000 0.469 280 T N -2.838 111.769 114.554 0.089 0.000 2.962 280 T HA -0.149 4.201 4.350 0.001 0.000 0.270 280 T C 1.026 175.636 174.700 -0.150 0.000 1.088 280 T CA 1.432 63.518 62.100 -0.023 0.000 1.127 280 T CB -0.417 68.376 68.868 -0.124 0.000 0.883 280 T HN 0.744 nan 8.240 nan 0.000 0.493 281 D N 1.558 121.910 120.400 -0.079 0.000 2.349 281 D HA -0.033 4.608 4.640 0.001 0.000 0.215 281 D C 1.835 178.011 176.300 -0.206 0.000 1.016 281 D CA 1.111 55.075 54.000 -0.061 0.000 0.870 281 D CB -0.483 40.377 40.800 0.100 0.000 0.917 281 D HN 0.633 nan 8.370 nan 0.000 0.524 282 T N -3.355 111.042 114.554 -0.262 0.000 2.969 282 T HA 0.532 4.883 4.350 0.001 0.000 0.250 282 T C 0.801 175.296 174.700 -0.341 0.000 1.021 282 T CA 0.122 61.939 62.100 -0.472 0.000 1.003 282 T CB 0.351 69.001 68.868 -0.362 0.000 1.040 282 T HN 0.224 nan 8.240 nan 0.000 0.492 283 A N 2.056 124.746 122.820 -0.217 0.000 2.365 283 A HA 0.738 5.059 4.320 0.001 0.000 0.318 283 A C 0.319 177.883 177.584 -0.033 0.000 1.091 283 A CA -0.618 51.311 52.037 -0.180 0.000 0.763 283 A CB 1.350 20.131 19.000 -0.364 0.000 1.248 283 A HN 0.483 nan 8.150 nan 0.000 0.442 284 T N -1.041 113.510 114.554 -0.004 0.000 2.881 284 T HA 0.336 4.686 4.350 0.001 0.000 0.278 284 T C 0.312 175.135 174.700 0.206 0.000 0.982 284 T CA -0.209 61.933 62.100 0.070 0.000 0.989 284 T CB 0.716 69.601 68.868 0.028 0.000 1.058 284 T HN 0.461 nan 8.240 nan 0.000 0.529 285 D N 0.096 120.597 120.400 0.168 0.000 2.149 285 D HA -0.156 4.484 4.640 0.001 0.000 0.194 285 D C 1.828 178.202 176.300 0.123 0.000 1.001 285 D CA 1.477 55.550 54.000 0.121 0.000 0.849 285 D CB -0.148 40.673 40.800 0.034 0.000 0.939 285 D HN 0.735 nan 8.370 nan 0.000 0.449 286 K N 0.612 121.067 120.400 0.091 0.000 2.057 286 K HA -0.161 4.160 4.320 0.001 0.000 0.207 286 K C 1.470 178.134 176.600 0.107 0.000 1.049 286 K CA 1.370 57.707 56.287 0.084 0.000 0.931 286 K CB 0.125 32.659 32.500 0.056 0.000 0.714 286 K HN -0.040 nan 8.250 nan 0.000 0.440 287 D N -0.043 120.402 120.400 0.075 0.000 2.104 287 D HA -0.185 4.455 4.640 0.001 0.000 0.194 287 D C 1.911 178.250 176.300 0.065 0.000 0.994 287 D CA 1.357 55.375 54.000 0.029 0.000 0.830 287 D CB -0.444 40.295 40.800 -0.100 0.000 0.959 287 D HN 0.297 nan 8.370 nan 0.000 0.452 288 Y N 0.996 121.305 120.300 0.014 0.000 2.128 288 Y HA -0.131 4.420 4.550 0.001 0.000 0.284 288 Y C 2.573 178.638 175.900 0.276 0.000 1.154 288 Y CA 0.865 58.956 58.100 -0.015 0.000 1.149 288 Y CB -0.345 37.847 38.460 -0.447 0.000 0.976 288 Y HN -0.052 nan 8.280 nan 0.000 0.505 289 L N -0.739 120.666 121.223 0.304 0.000 2.217 289 L HA -0.176 4.164 4.340 0.001 0.000 0.211 289 L C 1.649 178.658 176.870 0.233 0.000 1.107 289 L CA 0.897 55.894 54.840 0.261 0.000 0.783 289 L CB -0.407 41.745 42.059 0.156 0.000 0.919 289 L HN 0.191 nan 8.230 nan 0.000 0.442 290 D N 0.407 120.946 120.400 0.232 0.000 2.123 290 D HA -0.091 4.550 4.640 0.001 0.000 0.200 290 D C 2.303 178.773 176.300 0.283 0.000 0.976 290 D CA 1.078 55.221 54.000 0.238 0.000 0.831 290 D CB 0.049 41.048 40.800 0.331 0.000 0.974 290 D HN 0.246 nan 8.370 nan 0.000 0.469 291 I N 1.069 121.852 120.570 0.355 0.000 2.179 291 I HA -0.249 3.921 4.170 0.001 0.000 0.242 291 I C 2.463 178.714 176.117 0.224 0.000 1.088 291 I CA 1.138 62.639 61.300 0.335 0.000 1.357 291 I CB -0.187 38.021 38.000 0.348 0.000 1.051 291 I HN 0.028 nan 8.210 nan 0.000 0.409 292 E N 1.667 122.037 120.200 0.284 0.000 2.070 292 E HA -0.317 4.033 4.350 0.001 0.000 0.197 292 E C 2.373 179.110 176.600 0.228 0.000 1.004 292 E CA 1.886 58.391 56.400 0.174 0.000 0.805 292 E CB -0.114 29.728 29.700 0.237 0.000 0.744 292 E HN 0.484 nan 8.360 nan 0.000 0.451 293 R N 0.026 120.635 120.500 0.182 0.000 2.115 293 R HA -0.060 4.281 4.340 0.001 0.000 0.226 293 R C 2.101 178.464 176.300 0.104 0.000 1.100 293 R CA 1.416 57.621 56.100 0.175 0.000 0.980 293 R CB -0.310 30.047 30.300 0.093 0.000 0.875 293 R HN 0.098 nan 8.270 nan 0.000 0.445 294 V N 1.524 121.451 119.914 0.022 0.000 2.407 294 V HA -0.143 3.977 4.120 0.001 0.000 0.245 294 V C 2.561 178.734 176.094 0.132 0.000 1.041 294 V CA 1.031 63.291 62.300 -0.066 0.000 1.040 294 V CB -0.305 31.295 31.823 -0.372 0.000 0.671 294 V HN 0.260 nan 8.190 nan 0.000 0.455 295 I N 1.320 122.031 120.570 0.234 0.000 2.151 295 I HA -0.232 3.939 4.170 0.001 0.000 0.243 295 I C 2.618 178.664 176.117 -0.119 0.000 1.080 295 I CA 2.232 63.635 61.300 0.170 0.000 1.339 295 I CB -1.685 36.265 38.000 -0.084 0.000 1.039 295 I HN 0.416 nan 8.210 nan 0.000 0.409 296 G N -0.340 108.290 108.800 -0.283 0.000 2.459 296 G HA2 -0.339 3.621 3.960 0.001 0.000 0.217 296 G HA3 -0.339 3.621 3.960 0.001 0.000 0.217 296 G C 1.603 175.825 174.900 -1.131 0.000 1.183 296 G CA 1.366 45.855 45.100 -1.019 0.000 0.776 296 G HN 0.457 nan 8.290 nan 0.000 0.552 297 H N 0.655 119.476 119.070 -0.415 0.000 2.289 297 H HA -0.101 4.455 4.556 0.001 0.000 0.294 297 H C 2.578 177.792 175.328 -0.190 0.000 1.095 297 H CA 2.200 58.129 56.048 -0.198 0.000 1.256 297 H CB 0.172 29.886 29.762 -0.080 0.000 1.359 297 H HN 0.258 nan 8.280 nan 0.000 0.487 298 E N -0.289 119.962 120.200 0.085 0.000 2.077 298 E HA -0.204 4.146 4.350 0.001 0.000 0.193 298 E C 2.117 178.789 176.600 0.119 0.000 0.989 298 E CA 1.084 57.598 56.400 0.191 0.000 0.800 298 E CB -0.786 29.053 29.700 0.231 0.000 0.746 298 E HN 0.623 nan 8.360 nan 0.000 0.452 299 Y N 0.808 121.013 120.300 -0.158 0.000 2.181 299 Y HA -0.205 4.345 4.550 0.001 0.000 0.288 299 Y C 2.089 177.962 175.900 -0.046 0.000 1.146 299 Y CA 1.527 59.517 58.100 -0.183 0.000 1.164 299 Y CB -0.609 37.527 38.460 -0.541 0.000 0.982 299 Y HN -0.034 nan 8.280 nan 0.000 0.515 300 F N -1.535 118.341 119.950 -0.122 0.000 2.293 300 F HA -0.245 4.283 4.527 0.001 0.000 0.300 300 F C 2.353 178.068 175.800 -0.142 0.000 1.086 300 F CA 0.759 58.656 58.000 -0.172 0.000 1.375 300 F CB -0.428 38.473 39.000 -0.165 0.000 1.045 300 F HN 0.154 nan 8.300 nan 0.000 0.516 301 H N 0.263 119.328 119.070 -0.008 0.000 2.489 301 H HA -0.152 4.404 4.556 0.001 0.000 0.295 301 H C 1.859 177.160 175.328 -0.045 0.000 1.082 301 H CA 1.111 57.154 56.048 -0.009 0.000 1.295 301 H CB -0.584 29.177 29.762 -0.001 0.000 1.380 301 H HN 0.262 nan 8.280 nan 0.000 0.548 302 N N -0.045 118.641 118.700 -0.025 0.000 2.137 302 N HA -0.190 4.550 4.740 0.001 0.000 0.190 302 N C 1.570 176.856 175.510 -0.374 0.000 1.017 302 N CA 1.553 54.471 53.050 -0.219 0.000 0.859 302 N CB -0.137 38.179 38.487 -0.285 0.000 1.002 302 N HN 0.284 nan 8.380 nan 0.000 0.428 303 W N -0.449 120.791 121.300 -0.099 0.000 2.644 303 W HA 0.219 4.879 4.660 0.001 0.000 0.279 303 W C 0.726 177.363 176.519 0.197 0.000 1.164 303 W CA 0.734 58.032 57.345 -0.079 0.000 1.457 303 W CB -0.538 28.757 29.460 -0.275 0.000 1.087 303 W HN -0.044 nan 8.180 nan 0.000 0.573 304 T N -1.238 113.584 114.554 0.446 0.000 3.579 304 T HA 0.637 4.988 4.350 0.001 0.000 0.328 304 T C 0.620 175.542 174.700 0.370 0.000 1.481 304 T CA 0.257 62.613 62.100 0.426 0.000 1.144 304 T CB 0.054 69.102 68.868 0.301 0.000 1.205 304 T HN 0.316 nan 8.240 nan 0.000 0.812 305 G N 3.072 112.053 108.800 0.300 0.000 3.967 305 G HA2 -0.170 3.791 3.960 0.001 0.000 0.210 305 G HA3 -0.170 3.791 3.960 0.001 0.000 0.210 305 G C 0.789 175.757 174.900 0.113 0.000 1.127 305 G CA -0.151 45.093 45.100 0.240 0.000 0.887 305 G HN 0.484 nan 8.290 nan 0.000 0.367 306 N N 0.464 119.165 118.700 0.002 0.000 2.517 306 N HA 0.171 4.912 4.740 0.001 0.000 0.202 306 N C 2.060 177.449 175.510 -0.201 0.000 1.042 306 N CA 0.607 53.567 53.050 -0.151 0.000 0.952 306 N CB -0.303 38.030 38.487 -0.256 0.000 1.211 306 N HN 0.073 nan 8.380 nan 0.000 0.458 307 R N 0.674 120.975 120.500 -0.333 0.000 2.096 307 R HA 0.062 4.402 4.340 0.001 0.000 0.235 307 R C -0.028 176.241 176.300 -0.052 0.000 1.127 307 R CA 0.586 56.470 56.100 -0.359 0.000 0.968 307 R CB -0.411 29.391 30.300 -0.830 0.000 0.861 307 R HN 0.102 nan 8.270 nan 0.000 0.440 308 V N 0.964 120.932 119.914 0.090 0.000 2.378 308 V HA 0.212 4.333 4.120 0.001 0.000 0.288 308 V C 0.393 176.559 176.094 0.119 0.000 1.016 308 V CA -0.473 61.892 62.300 0.109 0.000 0.840 308 V CB 1.835 33.702 31.823 0.074 0.000 0.994 308 V HN 0.110 nan 8.190 nan 0.000 0.431 309 T N 3.519 118.118 114.554 0.075 0.000 2.855 309 T HA 0.433 4.784 4.350 0.001 0.000 0.275 309 T C -0.315 174.407 174.700 0.037 0.000 1.022 309 T CA -0.287 61.867 62.100 0.090 0.000 0.977 309 T CB 1.358 70.282 68.868 0.093 0.000 1.559 309 T HN 0.700 nan 8.240 nan 0.000 0.600 310 C N 2.095 121.372 119.300 -0.038 0.000 2.329 310 C HA 0.526 4.987 4.460 0.001 0.000 0.329 310 C C 1.928 176.785 174.990 -0.222 0.000 1.275 310 C CA -0.741 58.181 59.018 -0.160 0.000 1.726 310 C CB 0.659 28.213 27.740 -0.310 0.000 2.291 310 C HN 1.038 nan 8.230 nan 0.000 0.514 311 R N 1.293 121.679 120.500 -0.190 0.000 2.096 311 R HA -0.092 4.249 4.340 0.001 0.000 0.235 311 R C 0.025 176.193 176.300 -0.220 0.000 1.127 311 R CA 2.052 58.030 56.100 -0.203 0.000 0.968 311 R CB 0.152 30.274 30.300 -0.296 0.000 0.861 311 R HN 1.001 nan 8.270 nan 0.000 0.440 312 D N -4.852 115.385 120.400 -0.271 0.000 2.639 312 D HA 0.052 4.693 4.640 0.001 0.000 0.271 312 D C -0.354 175.751 176.300 -0.324 0.000 1.254 312 D CA -0.796 53.064 54.000 -0.234 0.000 0.810 312 D CB -0.485 40.373 40.800 0.096 0.000 1.351 312 D HN -0.046 nan 8.370 nan 0.000 0.427 313 W N -0.880 120.341 121.300 -0.131 0.000 2.595 313 W HA 0.121 4.782 4.660 0.001 0.000 0.257 313 W C 1.186 177.505 176.519 -0.333 0.000 1.267 313 W CA -0.351 56.830 57.345 -0.273 0.000 1.300 313 W CB -0.220 29.045 29.460 -0.324 0.000 1.120 313 W HN 0.299 nan 8.180 nan 0.000 0.618 314 F N 0.300 120.298 119.950 0.079 0.000 2.408 314 F HA -0.183 4.345 4.527 0.001 0.000 0.300 314 F C 2.103 177.914 175.800 0.018 0.000 1.090 314 F CA 0.914 58.919 58.000 0.009 0.000 1.427 314 F CB -0.683 38.306 39.000 -0.018 0.000 1.070 314 F HN -0.080 nan 8.300 nan 0.000 0.549 315 Q N 0.325 120.201 119.800 0.126 0.000 2.247 315 Q HA 0.075 4.415 4.340 0.001 0.000 0.205 315 Q C 2.051 178.077 176.000 0.044 0.000 0.896 315 Q CA 0.038 55.878 55.803 0.063 0.000 0.950 315 Q CB -0.400 28.325 28.738 -0.022 0.000 1.054 315 Q HN 0.415 nan 8.270 nan 0.000 0.482 316 L N 0.783 122.047 121.223 0.068 0.000 2.051 316 L HA -0.221 4.120 4.340 0.001 0.000 0.214 316 L C 2.161 179.027 176.870 -0.008 0.000 1.076 316 L CA 1.980 56.848 54.840 0.047 0.000 0.758 316 L CB -0.845 41.190 42.059 -0.041 0.000 0.890 316 L HN 0.139 nan 8.230 nan 0.000 0.433 317 S N -1.347 114.361 115.700 0.013 0.000 2.442 317 S HA -0.148 4.322 4.470 0.001 0.000 0.236 317 S C 1.936 176.519 174.600 -0.027 0.000 1.007 317 S CA 1.066 59.259 58.200 -0.011 0.000 0.965 317 S CB -0.546 62.684 63.200 0.050 0.000 0.773 317 S HN 0.472 nan 8.310 nan 0.000 0.504 318 L N 2.420 123.639 121.223 -0.006 0.000 2.043 318 L HA -0.178 4.163 4.340 0.001 0.000 0.212 318 L C 2.132 178.938 176.870 -0.107 0.000 1.075 318 L CA 2.426 57.212 54.840 -0.090 0.000 0.752 318 L CB -0.569 41.472 42.059 -0.029 0.000 0.891 318 L HN 0.473 nan 8.230 nan 0.000 0.432 319 K N -2.650 117.750 120.400 -0.000 0.000 2.202 319 K HA 0.039 4.359 4.320 0.001 0.000 0.201 319 K C 1.694 178.332 176.600 0.064 0.000 1.051 319 K CA 0.553 56.895 56.287 0.092 0.000 0.977 319 K CB -0.284 32.343 32.500 0.212 0.000 0.792 319 K HN 0.181 nan 8.250 nan 0.000 0.469 320 E N 1.410 121.583 120.200 -0.044 0.000 2.086 320 E HA -0.018 4.332 4.350 0.001 0.000 0.190 320 E C 2.274 178.756 176.600 -0.197 0.000 0.975 320 E CA 1.320 57.582 56.400 -0.230 0.000 0.813 320 E CB -0.408 28.847 29.700 -0.742 0.000 0.768 320 E HN 0.517 nan 8.360 nan 0.000 0.457 321 G N 1.727 110.444 108.800 -0.137 0.000 2.418 321 G HA2 -0.238 3.723 3.960 0.001 0.000 0.217 321 G HA3 -0.238 3.723 3.960 0.001 0.000 0.217 321 G C 1.614 176.509 174.900 -0.008 0.000 1.158 321 G CA 0.831 45.900 45.100 -0.053 0.000 0.771 321 G HN 0.220 nan 8.290 nan 0.000 0.545 322 L N 0.821 121.991 121.223 -0.089 0.000 2.109 322 L HA 0.081 4.422 4.340 0.001 0.000 0.207 322 L C 2.801 179.699 176.870 0.048 0.000 1.086 322 L CA 2.374 57.184 54.840 -0.051 0.000 0.760 322 L CB -0.808 41.090 42.059 -0.270 0.000 0.910 322 L HN 0.162 nan 8.230 nan 0.000 0.437 323 T N -1.421 113.086 114.554 -0.079 0.000 2.904 323 T HA -0.085 4.265 4.350 0.001 0.000 0.267 323 T C 1.976 176.621 174.700 -0.091 0.000 1.059 323 T CA 1.322 63.275 62.100 -0.245 0.000 1.137 323 T CB -0.200 68.168 68.868 -0.834 0.000 0.879 323 T HN 0.166 nan 8.240 nan 0.000 0.467 324 V N 1.291 121.257 119.914 0.087 0.000 2.358 324 V HA -0.111 4.010 4.120 0.001 0.000 0.246 324 V C 1.980 178.190 176.094 0.194 0.000 1.047 324 V CA 1.482 63.926 62.300 0.240 0.000 1.035 324 V CB -0.720 31.256 31.823 0.254 0.000 0.658 324 V HN 0.446 nan 8.190 nan 0.000 0.452 325 F N 1.411 121.392 119.950 0.052 0.000 2.126 325 F HA -0.233 4.295 4.527 0.001 0.000 0.299 325 F C 2.530 178.376 175.800 0.076 0.000 1.096 325 F CA 1.900 59.931 58.000 0.052 0.000 1.255 325 F CB -0.265 38.774 39.000 0.065 0.000 0.997 325 F HN -0.016 nan 8.300 nan 0.000 0.479 326 R N 0.260 120.808 120.500 0.080 0.000 2.081 326 R HA -0.177 4.164 4.340 0.001 0.000 0.235 326 R C 2.014 178.235 176.300 -0.132 0.000 1.131 326 R CA 1.740 57.793 56.100 -0.079 0.000 0.960 326 R CB -0.800 29.364 30.300 -0.227 0.000 0.856 326 R HN 0.550 nan 8.270 nan 0.000 0.436 327 D N 0.084 120.561 120.400 0.129 0.000 2.178 327 D HA -0.187 4.453 4.640 0.001 0.000 0.202 327 D C 1.622 177.960 176.300 0.063 0.000 0.974 327 D CA 1.225 55.389 54.000 0.273 0.000 0.841 327 D CB -0.200 40.819 40.800 0.365 0.000 0.953 327 D HN 0.246 nan 8.370 nan 0.000 0.478 328 Q N -0.320 119.452 119.800 -0.047 0.000 2.079 328 Q HA -0.109 4.232 4.340 0.001 0.000 0.200 328 Q C 2.007 177.863 176.000 -0.239 0.000 0.974 328 Q CA 1.175 56.899 55.803 -0.132 0.000 0.840 328 Q CB -0.012 28.645 28.738 -0.135 0.000 0.898 328 Q HN 0.348 nan 8.270 nan 0.000 0.430 329 E N 0.272 120.268 120.200 -0.341 0.000 2.106 329 E HA -0.155 4.195 4.350 0.001 0.000 0.192 329 E C 1.693 178.134 176.600 -0.266 0.000 0.984 329 E CA 0.667 56.913 56.400 -0.257 0.000 0.806 329 E CB -0.233 29.356 29.700 -0.183 0.000 0.750 329 E HN 0.271 nan 8.360 nan 0.000 0.458 330 F N 2.093 121.489 119.950 -0.923 0.000 2.075 330 F HA -0.188 4.340 4.527 0.001 0.000 0.297 330 F C 2.386 177.815 175.800 -0.618 0.000 1.113 330 F CA 1.605 58.747 58.000 -1.429 0.000 1.218 330 F CB -0.523 37.749 39.000 -1.214 0.000 0.984 330 F HN -0.134 nan 8.300 nan 0.000 0.472 331 S N -0.200 115.191 115.700 -0.515 0.000 2.368 331 S HA -0.173 4.298 4.470 0.001 0.000 0.225 331 S C 2.193 176.569 174.600 -0.374 0.000 1.030 331 S CA 1.395 59.316 58.200 -0.466 0.000 0.999 331 S CB -0.546 62.520 63.200 -0.223 0.000 0.844 331 S HN 0.445 nan 8.310 nan 0.000 0.459 332 S N 1.557 117.086 115.700 -0.286 0.000 2.368 332 S HA -0.095 4.376 4.470 0.001 0.000 0.224 332 S C 1.520 176.003 174.600 -0.194 0.000 1.029 332 S CA 1.099 59.168 58.200 -0.218 0.000 0.988 332 S CB -0.416 62.680 63.200 -0.174 0.000 0.838 332 S HN 0.430 nan 8.310 nan 0.000 0.462 333 D N 1.073 121.380 120.400 -0.154 0.000 2.144 333 D HA 0.004 4.644 4.640 0.001 0.000 0.200 333 D C 1.697 177.930 176.300 -0.112 0.000 0.978 333 D CA 0.699 54.678 54.000 -0.035 0.000 0.833 333 D CB -0.230 40.711 40.800 0.235 0.000 0.961 333 D HN 0.188 nan 8.370 nan 0.000 0.470 334 L N -0.368 120.696 121.223 -0.264 0.000 2.240 334 L HA 0.173 4.513 4.340 0.001 0.000 0.211 334 L C 1.651 178.256 176.870 -0.441 0.000 1.106 334 L CA 0.870 55.552 54.840 -0.264 0.000 0.793 334 L CB -0.333 41.505 42.059 -0.368 0.000 0.927 334 L HN -0.006 nan 8.230 nan 0.000 0.446 335 G N -2.646 105.774 108.800 -0.633 0.000 3.286 335 G HA2 0.294 4.255 3.960 0.001 0.000 0.166 335 G HA3 0.294 4.255 3.960 0.001 0.000 0.166 335 G C -0.774 173.810 174.900 -0.525 0.000 1.155 335 G CA -0.006 44.405 45.100 -1.147 0.000 0.871 335 G HN -0.066 nan 8.290 nan 0.000 0.637 336 S N -0.475 115.007 115.700 -0.364 0.000 2.411 336 S HA 0.239 4.709 4.470 0.001 0.000 0.294 336 S C 1.399 175.905 174.600 -0.157 0.000 1.115 336 S CA -0.310 57.779 58.200 -0.186 0.000 1.071 336 S CB 1.045 64.177 63.200 -0.113 0.000 0.967 336 S HN 0.578 nan 8.310 nan 0.000 0.488 337 R N 4.328 124.751 120.500 -0.127 0.000 2.081 337 R HA -0.073 4.268 4.340 0.001 0.000 0.235 337 R C 2.177 178.429 176.300 -0.080 0.000 1.131 337 R CA 1.787 57.823 56.100 -0.106 0.000 0.960 337 R CB -0.651 29.601 30.300 -0.080 0.000 0.856 337 R HN 0.763 nan 8.270 nan 0.000 0.436 338 A N 0.238 123.027 122.820 -0.051 0.000 1.883 338 A HA -0.124 4.196 4.320 0.001 0.000 0.217 338 A C 2.271 179.811 177.584 -0.073 0.000 1.186 338 A CA 1.752 53.780 52.037 -0.015 0.000 0.624 338 A CB -0.655 18.345 19.000 0.001 0.000 0.822 338 A HN 0.237 nan 8.150 nan 0.000 0.444 339 V N 0.978 120.829 119.914 -0.106 0.000 2.343 339 V HA -0.261 3.860 4.120 0.001 0.000 0.247 339 V C 2.338 178.340 176.094 -0.154 0.000 1.051 339 V CA 2.056 64.269 62.300 -0.146 0.000 1.036 339 V CB -0.929 30.831 31.823 -0.105 0.000 0.654 339 V HN 0.573 nan 8.190 nan 0.000 0.451 340 N N 0.128 118.752 118.700 -0.128 0.000 2.120 340 N HA -0.209 4.532 4.740 0.001 0.000 0.188 340 N C 2.064 177.497 175.510 -0.129 0.000 1.024 340 N CA 1.557 54.532 53.050 -0.124 0.000 0.852 340 N CB -0.236 38.173 38.487 -0.130 0.000 1.003 340 N HN 0.305 nan 8.380 nan 0.000 0.424 341 R N 1.458 121.888 120.500 -0.117 0.000 2.073 341 R HA 0.066 4.406 4.340 0.001 0.000 0.234 341 R C 2.238 178.474 176.300 -0.105 0.000 1.134 341 R CA 0.899 56.927 56.100 -0.119 0.000 0.952 341 R CB -0.656 29.562 30.300 -0.137 0.000 0.850 341 R HN 0.210 nan 8.270 nan 0.000 0.433 342 I N 0.694 121.175 120.570 -0.149 0.000 2.163 342 I HA -0.351 3.819 4.170 0.001 0.000 0.243 342 I C 1.991 177.810 176.117 -0.498 0.000 1.085 342 I CA 1.536 62.504 61.300 -0.554 0.000 1.347 342 I CB -0.431 36.973 38.000 -0.993 0.000 1.044 342 I HN 0.304 nan 8.210 nan 0.000 0.408 343 N N 0.883 119.394 118.700 -0.316 0.000 2.120 343 N HA -0.158 4.582 4.740 0.001 0.000 0.188 343 N C 1.530 176.950 175.510 -0.150 0.000 1.024 343 N CA 1.281 54.208 53.050 -0.205 0.000 0.852 343 N CB -0.386 38.020 38.487 -0.135 0.000 1.003 343 N HN 0.404 nan 8.380 nan 0.000 0.424 344 N N 0.679 119.298 118.700 -0.134 0.000 2.244 344 N HA -0.067 4.674 4.740 0.001 0.000 0.183 344 N C 1.829 177.250 175.510 -0.147 0.000 1.016 344 N CA 0.472 53.463 53.050 -0.099 0.000 0.866 344 N CB -0.270 38.179 38.487 -0.062 0.000 0.980 344 N HN 0.069 nan 8.380 nan 0.000 0.430 345 V N 1.500 121.287 119.914 -0.211 0.000 2.453 345 V HA -0.089 4.031 4.120 0.001 0.000 0.247 345 V C 2.299 178.230 176.094 -0.271 0.000 1.048 345 V CA 1.112 63.183 62.300 -0.382 0.000 1.049 345 V CB -0.314 31.340 31.823 -0.282 0.000 0.672 345 V HN 0.230 nan 8.190 nan 0.000 0.457 346 R N -0.081 120.344 120.500 -0.125 0.000 2.091 346 R HA -0.156 4.185 4.340 0.001 0.000 0.238 346 R C 2.388 178.631 176.300 -0.094 0.000 1.136 346 R CA 1.976 58.056 56.100 -0.034 0.000 0.959 346 R CB -0.733 29.572 30.300 0.009 0.000 0.856 346 R HN 0.480 nan 8.270 nan 0.000 0.437 347 T N 1.024 115.516 114.554 -0.103 0.000 2.777 347 T HA -0.094 4.256 4.350 0.001 0.000 0.266 347 T C 1.884 176.516 174.700 -0.114 0.000 1.040 347 T CA 1.022 63.077 62.100 -0.076 0.000 1.141 347 T CB -0.018 68.825 68.868 -0.042 0.000 0.868 347 T HN 0.066 nan 8.240 nan 0.000 0.444 348 M N 1.023 120.512 119.600 -0.185 0.000 2.067 348 M HA -0.006 4.474 4.480 0.001 0.000 0.260 348 M C 2.372 178.285 176.300 -0.644 0.000 1.069 348 M CA 1.665 56.811 55.300 -0.257 0.000 1.117 348 M CB -0.945 31.546 32.600 -0.180 0.000 1.334 348 M HN 0.174 nan 8.290 nan 0.000 0.407 349 R N -0.850 119.185 120.500 -0.775 0.000 2.092 349 R HA -0.045 4.295 4.340 0.001 0.000 0.231 349 R C 2.295 178.392 176.300 -0.338 0.000 1.119 349 R CA 1.304 56.849 56.100 -0.926 0.000 0.970 349 R CB -0.576 29.442 30.300 -0.470 0.000 0.864 349 R HN 0.506 nan 8.270 nan 0.000 0.440 350 G N -0.360 108.338 108.800 -0.170 0.000 2.539 350 G HA2 -0.021 3.940 3.960 0.001 0.000 0.215 350 G HA3 -0.021 3.940 3.960 0.001 0.000 0.215 350 G C 1.241 176.151 174.900 0.017 0.000 1.141 350 G CA 0.139 45.222 45.100 -0.029 0.000 0.806 350 G HN 0.089 nan 8.290 nan 0.000 0.533 351 L N -1.501 119.721 121.223 -0.002 0.000 2.641 351 L HA 0.220 4.561 4.340 0.001 0.000 0.207 351 L C 2.499 179.418 176.870 0.082 0.000 1.049 351 L CA 0.107 54.972 54.840 0.042 0.000 0.866 351 L CB -0.275 41.798 42.059 0.024 0.000 1.264 351 L HN 0.020 nan 8.230 nan 0.000 0.483 352 Q N 0.484 120.331 119.800 0.078 0.000 2.123 352 Q HA -0.125 4.216 4.340 0.001 0.000 0.199 352 Q C 2.218 178.407 176.000 0.316 0.000 0.966 352 Q CA 1.708 57.610 55.803 0.165 0.000 0.845 352 Q CB 0.033 28.872 28.738 0.168 0.000 0.907 352 Q HN 0.289 nan 8.270 nan 0.000 0.439 353 F N 0.711 120.720 119.950 0.097 0.000 2.161 353 F HA -0.114 4.414 4.527 0.001 0.000 0.300 353 F C 2.484 178.331 175.800 0.078 0.000 1.089 353 F CA 0.827 58.887 58.000 0.100 0.000 1.282 353 F CB -1.336 37.734 39.000 0.117 0.000 1.010 353 F HN 0.143 nan 8.300 nan 0.000 0.485 354 A N -0.362 122.620 122.820 0.270 0.000 1.902 354 A HA -0.240 4.081 4.320 0.001 0.000 0.217 354 A C 2.250 179.917 177.584 0.139 0.000 1.181 354 A CA 1.773 53.914 52.037 0.173 0.000 0.623 354 A CB -0.891 18.195 19.000 0.143 0.000 0.818 354 A HN 0.422 nan 8.150 nan 0.000 0.443 355 E N -0.507 119.773 120.200 0.134 0.000 2.077 355 E HA -0.234 4.117 4.350 0.001 0.000 0.193 355 E C 1.205 177.857 176.600 0.086 0.000 0.989 355 E CA 1.239 57.701 56.400 0.103 0.000 0.800 355 E CB -0.138 29.618 29.700 0.093 0.000 0.746 355 E HN 0.465 nan 8.360 nan 0.000 0.452 356 D N -0.604 119.851 120.400 0.092 0.000 2.310 356 D HA -0.038 4.603 4.640 0.001 0.000 0.212 356 D C 0.863 177.193 176.300 0.049 0.000 0.965 356 D CA 0.822 54.853 54.000 0.053 0.000 0.879 356 D CB 0.207 41.037 40.800 0.050 0.000 0.921 356 D HN 0.246 nan 8.370 nan 0.000 0.510 357 A N -0.045 122.817 122.820 0.070 0.000 2.423 357 A HA 0.261 4.581 4.320 0.001 0.000 0.246 357 A C 0.866 178.490 177.584 0.067 0.000 1.278 357 A CA -0.100 51.973 52.037 0.059 0.000 0.903 357 A CB 0.043 19.083 19.000 0.067 0.000 0.997 357 A HN 0.154 nan 8.150 nan 0.000 0.510 358 S N -1.470 114.275 115.700 0.076 0.000 2.689 358 S HA 0.609 5.079 4.470 0.001 0.000 0.306 358 S C -2.322 172.324 174.600 0.077 0.000 1.104 358 S CA -1.259 56.989 58.200 0.080 0.000 0.973 358 S CB 1.415 64.668 63.200 0.088 0.000 1.121 358 S HN -0.064 nan 8.310 nan 0.000 0.523 359 P HA 0.040 nan 4.420 nan 0.000 0.225 359 P C 1.001 178.350 177.300 0.081 0.000 1.148 359 P CA 0.964 64.104 63.100 0.066 0.000 0.779 359 P CB 0.050 31.778 31.700 0.048 0.000 0.780 360 M N -1.339 118.312 119.600 0.086 0.000 2.563 360 M HA 0.178 4.658 4.480 0.001 0.000 0.231 360 M C 0.571 177.020 176.300 0.249 0.000 1.136 360 M CA -0.553 54.813 55.300 0.110 0.000 1.026 360 M CB -1.120 31.502 32.600 0.036 0.000 1.597 360 M HN -0.203 nan 8.290 nan 0.000 0.495 361 A N 2.255 125.186 122.820 0.185 0.000 2.587 361 A HA 0.169 4.489 4.320 0.001 0.000 0.235 361 A C 0.097 177.849 177.584 0.280 0.000 1.044 361 A CA 0.634 52.768 52.037 0.161 0.000 0.754 361 A CB -0.310 18.746 19.000 0.092 0.000 0.968 361 A HN 0.673 nan 8.150 nan 0.000 0.509 362 H N -0.126 119.041 119.070 0.162 0.000 3.046 362 H HA 0.608 5.165 4.556 0.001 0.000 0.361 362 H C -3.428 172.004 175.328 0.172 0.000 1.235 362 H CA -2.390 53.781 56.048 0.206 0.000 1.146 362 H CB 0.655 30.627 29.762 0.350 0.000 1.859 362 H HN 0.353 nan 8.280 nan 0.000 0.548 363 P HA 0.099 nan 4.420 nan 0.000 0.272 363 P C 1.707 179.122 177.300 0.192 0.000 1.240 363 P CA -0.453 62.736 63.100 0.148 0.000 0.791 363 P CB 1.085 32.882 31.700 0.162 0.000 0.978 364 I N -1.566 119.074 120.570 0.117 0.000 2.454 364 I HA -0.083 4.087 4.170 0.001 0.000 0.254 364 I C 1.099 177.339 176.117 0.204 0.000 1.156 364 I CA 1.172 62.545 61.300 0.123 0.000 1.433 364 I CB -0.329 37.655 38.000 -0.026 0.000 1.082 364 I HN 0.146 nan 8.210 nan 0.000 0.432 365 R N 2.810 123.454 120.500 0.240 0.000 2.278 365 R HA 0.443 4.783 4.340 0.001 0.000 0.322 365 R C -2.614 173.834 176.300 0.247 0.000 1.058 365 R CA -2.044 54.215 56.100 0.265 0.000 0.991 365 R CB 0.729 31.216 30.300 0.311 0.000 1.140 365 R HN 0.060 nan 8.270 nan 0.000 0.518 366 P HA 0.037 nan 4.420 nan 0.000 0.269 366 P C -0.520 176.890 177.300 0.184 0.000 1.215 366 P CA -0.048 63.183 63.100 0.217 0.000 0.780 366 P CB 0.829 32.533 31.700 0.007 0.000 0.898 367 D N 0.180 120.635 120.400 0.092 0.000 2.388 367 D HA 0.129 4.769 4.640 0.001 0.000 0.208 367 D C 0.497 176.733 176.300 -0.106 0.000 1.035 367 D CA 0.966 54.937 54.000 -0.047 0.000 0.875 367 D CB 0.358 41.191 40.800 0.055 0.000 0.984 367 D HN 0.292 nan 8.370 nan 0.000 0.508 368 M N 1.177 120.761 119.600 -0.027 0.000 2.277 368 M HA 0.356 4.836 4.480 0.001 0.000 0.282 368 M C -2.347 173.823 176.300 -0.216 0.000 1.074 368 M CA -0.443 54.740 55.300 -0.195 0.000 0.954 368 M CB 2.339 34.856 32.600 -0.138 0.000 1.672 368 M HN -0.401 nan 8.290 nan 0.000 0.471 369 V N 6.025 125.805 119.914 -0.225 0.000 2.686 369 V HA 0.417 4.538 4.120 0.001 0.000 0.306 369 V C 0.255 176.284 176.094 -0.109 0.000 1.065 369 V CA -0.382 61.712 62.300 -0.343 0.000 0.894 369 V CB 2.181 33.630 31.823 -0.625 0.000 1.004 369 V HN 0.981 nan 8.190 nan 0.000 0.424 370 I N 1.675 122.280 120.570 0.059 0.000 2.512 370 I HA 0.198 4.369 4.170 0.001 0.000 0.247 370 I C 0.757 176.930 176.117 0.092 0.000 1.094 370 I CA 0.650 62.003 61.300 0.089 0.000 1.427 370 I CB 0.413 38.513 38.000 0.167 0.000 1.149 370 I HN 0.590 nan 8.210 nan 0.000 0.438 371 E N 0.922 121.213 120.200 0.152 0.000 2.141 371 E HA 0.170 4.520 4.350 0.001 0.000 0.259 371 E C 0.440 177.139 176.600 0.164 0.000 0.883 371 E CA -0.404 56.064 56.400 0.114 0.000 0.744 371 E CB 1.338 31.095 29.700 0.095 0.000 1.150 371 E HN 0.093 nan 8.360 nan 0.000 0.420 372 M N 3.930 123.562 119.600 0.053 0.000 2.267 372 M HA -0.042 4.439 4.480 0.001 0.000 0.263 372 M C 0.566 176.971 176.300 0.175 0.000 1.063 372 M CA 1.503 56.830 55.300 0.045 0.000 1.090 372 M CB -0.239 32.247 32.600 -0.191 0.000 1.392 372 M HN 0.437 nan 8.290 nan 0.000 0.422 373 N N 0.470 119.206 118.700 0.061 0.000 2.519 373 N HA -0.091 4.649 4.740 0.001 0.000 0.186 373 N C 0.730 176.295 175.510 0.093 0.000 1.062 373 N CA 0.709 53.772 53.050 0.022 0.000 0.910 373 N CB -0.597 37.805 38.487 -0.142 0.000 0.958 373 N HN 0.459 nan 8.380 nan 0.000 0.445 374 N N -0.227 118.523 118.700 0.083 0.000 2.461 374 N HA 0.025 4.765 4.740 0.001 0.000 0.188 374 N C 0.042 175.326 175.510 -0.376 0.000 1.134 374 N CA 0.264 53.233 53.050 -0.136 0.000 0.878 374 N CB -0.029 38.312 38.487 -0.244 0.000 0.972 374 N HN 0.233 nan 8.380 nan 0.000 0.456 375 F N -0.889 119.067 119.950 0.010 0.000 2.708 375 F HA 0.242 4.769 4.527 0.001 0.000 0.300 375 F C -0.227 175.519 175.800 -0.090 0.000 1.118 375 F CA -0.528 57.405 58.000 -0.110 0.000 1.307 375 F CB 0.049 38.918 39.000 -0.219 0.000 0.986 375 F HN -0.115 nan 8.300 nan 0.000 0.522 376 Y N 1.273 121.629 120.300 0.094 0.000 2.736 376 Y HA 0.241 4.792 4.550 0.001 0.000 0.339 376 Y C 0.971 176.899 175.900 0.046 0.000 1.301 376 Y CA -0.924 57.275 58.100 0.166 0.000 1.676 376 Y CB -0.613 37.871 38.460 0.041 0.000 1.725 376 Y HN -0.012 nan 8.280 nan 0.000 0.466 377 T N -3.497 111.206 114.554 0.249 0.000 2.942 377 T HA 0.381 4.732 4.350 0.001 0.000 0.289 377 T C 1.088 175.914 174.700 0.210 0.000 1.044 377 T CA -0.885 61.326 62.100 0.185 0.000 1.023 377 T CB 1.227 70.278 68.868 0.306 0.000 1.123 377 T HN 0.365 nan 8.240 nan 0.000 0.512 378 L N 0.347 121.646 121.223 0.127 0.000 2.081 378 L HA -0.135 4.205 4.340 0.001 0.000 0.212 378 L C 2.980 179.954 176.870 0.173 0.000 1.080 378 L CA 1.642 56.559 54.840 0.129 0.000 0.754 378 L CB -1.063 41.049 42.059 0.089 0.000 0.893 378 L HN 0.848 nan 8.230 nan 0.000 0.433 379 T N -0.951 113.695 114.554 0.153 0.000 2.701 379 T HA -0.155 4.195 4.350 0.001 0.000 0.263 379 T C 1.966 176.765 174.700 0.165 0.000 1.040 379 T CA 1.479 63.631 62.100 0.087 0.000 1.147 379 T CB -0.240 68.505 68.868 -0.205 0.000 0.865 379 T HN 0.052 nan 8.240 nan 0.000 0.426 380 V N 0.034 120.119 119.914 0.285 0.000 2.407 380 V HA -0.142 3.979 4.120 0.001 0.000 0.248 380 V C 2.064 178.255 176.094 0.161 0.000 1.055 380 V CA 1.547 63.988 62.300 0.234 0.000 1.049 380 V CB -0.634 31.346 31.823 0.261 0.000 0.662 380 V HN 0.458 nan 8.190 nan 0.000 0.455 381 Y N 0.298 120.659 120.300 0.103 0.000 2.159 381 Y HA -0.027 4.524 4.550 0.001 0.000 0.285 381 Y C 2.709 178.667 175.900 0.098 0.000 1.106 381 Y CA 1.292 59.458 58.100 0.110 0.000 1.095 381 Y CB -0.433 38.093 38.460 0.109 0.000 1.015 381 Y HN 0.144 nan 8.280 nan 0.000 0.491 382 E N 0.378 120.742 120.200 0.273 0.000 2.051 382 E HA -0.152 4.199 4.350 0.001 0.000 0.189 382 E C 2.044 178.728 176.600 0.140 0.000 0.979 382 E CA 0.980 57.488 56.400 0.179 0.000 0.803 382 E CB -0.409 29.375 29.700 0.141 0.000 0.761 382 E HN 0.346 nan 8.360 nan 0.000 0.451 383 K N 0.726 121.205 120.400 0.133 0.000 2.097 383 K HA -0.080 4.240 4.320 0.001 0.000 0.205 383 K C 2.153 178.760 176.600 0.012 0.000 1.050 383 K CA 1.260 57.602 56.287 0.091 0.000 0.938 383 K CB -0.349 32.214 32.500 0.105 0.000 0.718 383 K HN 0.141 nan 8.250 nan 0.000 0.442 384 G N 0.655 109.470 108.800 0.025 0.000 2.476 384 G HA2 -0.319 3.642 3.960 0.001 0.000 0.218 384 G HA3 -0.319 3.642 3.960 0.001 0.000 0.218 384 G C 1.560 176.445 174.900 -0.025 0.000 1.164 384 G CA 1.071 46.151 45.100 -0.033 0.000 0.768 384 G HN 0.445 nan 8.290 nan 0.000 0.560 385 A N 0.539 123.391 122.820 0.053 0.000 1.933 385 A HA -0.001 4.320 4.320 0.001 0.000 0.218 385 A C 2.237 179.868 177.584 0.077 0.000 1.175 385 A CA 1.909 54.016 52.037 0.116 0.000 0.628 385 A CB -0.293 18.823 19.000 0.194 0.000 0.814 385 A HN 0.301 nan 8.150 nan 0.000 0.444 386 E N 0.005 120.228 120.200 0.038 0.000 2.118 386 E HA -0.125 4.226 4.350 0.001 0.000 0.195 386 E C 2.163 178.663 176.600 -0.165 0.000 0.992 386 E CA 1.297 57.681 56.400 -0.026 0.000 0.804 386 E CB -0.597 29.099 29.700 -0.008 0.000 0.741 386 E HN 0.426 nan 8.360 nan 0.000 0.458 387 V N 1.804 121.591 119.914 -0.211 0.000 2.358 387 V HA -0.225 3.896 4.120 0.001 0.000 0.246 387 V C 2.369 178.442 176.094 -0.035 0.000 1.047 387 V CA 1.120 63.273 62.300 -0.245 0.000 1.035 387 V CB -0.381 31.218 31.823 -0.374 0.000 0.658 387 V HN 0.193 nan 8.190 nan 0.000 0.452 388 I N 0.230 120.758 120.570 -0.071 0.000 2.208 388 I HA -0.242 3.929 4.170 0.001 0.000 0.245 388 I C 2.577 178.473 176.117 -0.367 0.000 1.097 388 I CA 1.802 63.022 61.300 -0.132 0.000 1.363 388 I CB -1.249 36.587 38.000 -0.273 0.000 1.051 388 I HN 0.331 nan 8.210 nan 0.000 0.413 389 R N 0.500 120.797 120.500 -0.338 0.000 2.115 389 R HA -0.112 4.228 4.340 0.001 0.000 0.230 389 R C 2.367 178.596 176.300 -0.118 0.000 1.111 389 R CA 1.099 57.073 56.100 -0.209 0.000 0.976 389 R CB -0.041 30.310 30.300 0.085 0.000 0.870 389 R HN 0.251 nan 8.270 nan 0.000 0.445 390 M N 0.041 119.570 119.600 -0.119 0.000 2.159 390 M HA -0.160 4.321 4.480 0.001 0.000 0.263 390 M C 2.125 178.300 176.300 -0.208 0.000 1.063 390 M CA 1.559 56.794 55.300 -0.110 0.000 1.110 390 M CB -0.163 32.409 32.600 -0.046 0.000 1.374 390 M HN 0.188 nan 8.290 nan 0.000 0.411 391 I N -0.883 119.543 120.570 -0.240 0.000 2.163 391 I HA -0.366 3.804 4.170 0.001 0.000 0.243 391 I C 2.699 178.766 176.117 -0.083 0.000 1.085 391 I CA 1.350 62.476 61.300 -0.290 0.000 1.347 391 I CB -0.851 37.089 38.000 -0.101 0.000 1.044 391 I HN 0.410 nan 8.210 nan 0.000 0.408 392 H N 1.014 119.965 119.070 -0.198 0.000 2.352 392 H HA -0.162 4.395 4.556 0.001 0.000 0.299 392 H C 2.163 177.389 175.328 -0.169 0.000 1.097 392 H CA 2.165 58.023 56.048 -0.317 0.000 1.311 392 H CB 0.037 29.391 29.762 -0.681 0.000 1.377 392 H HN 0.245 nan 8.280 nan 0.000 0.504 393 T N 1.484 116.012 114.554 -0.042 0.000 2.746 393 T HA -0.094 4.256 4.350 0.001 0.000 0.267 393 T C 2.414 177.051 174.700 -0.104 0.000 1.039 393 T CA 1.232 63.300 62.100 -0.054 0.000 1.142 393 T CB -0.217 68.632 68.868 -0.031 0.000 0.866 393 T HN 0.244 nan 8.240 nan 0.000 0.444 394 L N -0.226 120.912 121.223 -0.142 0.000 2.217 394 L HA 0.023 4.364 4.340 0.001 0.000 0.211 394 L C 2.019 178.819 176.870 -0.117 0.000 1.107 394 L CA 0.660 55.420 54.840 -0.133 0.000 0.783 394 L CB -0.237 41.684 42.059 -0.231 0.000 0.919 394 L HN 0.212 nan 8.230 nan 0.000 0.442 395 L N -1.159 119.979 121.223 -0.141 0.000 2.357 395 L HA 0.342 4.682 4.340 0.001 0.000 0.211 395 L C 1.045 177.831 176.870 -0.140 0.000 1.075 395 L CA 0.720 55.491 54.840 -0.115 0.000 0.830 395 L CB -0.334 41.681 42.059 -0.073 0.000 0.996 395 L HN 0.242 nan 8.230 nan 0.000 0.467 396 G N -0.123 108.528 108.800 -0.249 0.000 2.733 396 G HA2 -0.282 3.679 3.960 0.001 0.000 0.686 396 G HA3 -0.282 3.679 3.960 0.001 0.000 0.686 396 G C 0.458 175.143 174.900 -0.358 0.000 1.373 396 G CA 0.161 45.077 45.100 -0.306 0.000 0.838 396 G HN 0.185 nan 8.290 nan 0.000 0.588 397 E N -0.051 119.945 120.200 -0.341 0.000 2.058 397 E HA -0.164 4.187 4.350 0.001 0.000 0.194 397 E C 2.174 178.761 176.600 -0.023 0.000 0.997 397 E CA 2.440 58.756 56.400 -0.141 0.000 0.801 397 E CB -0.209 29.495 29.700 0.006 0.000 0.746 397 E HN 0.712 nan 8.360 nan 0.000 0.450 398 E N -0.121 120.051 120.200 -0.047 0.000 2.031 398 E HA -0.236 4.114 4.350 0.001 0.000 0.193 398 E C 1.884 178.468 176.600 -0.027 0.000 0.994 398 E CA 1.557 57.937 56.400 -0.033 0.000 0.800 398 E CB -0.275 29.402 29.700 -0.038 0.000 0.752 398 E HN 0.411 nan 8.360 nan 0.000 0.447 399 N N -0.750 117.927 118.700 -0.038 0.000 2.244 399 N HA -0.133 4.608 4.740 0.001 0.000 0.183 399 N C 1.696 177.182 175.510 -0.040 0.000 1.016 399 N CA 0.707 53.729 53.050 -0.048 0.000 0.866 399 N CB -0.169 38.281 38.487 -0.061 0.000 0.980 399 N HN 0.147 nan 8.380 nan 0.000 0.430 400 F N 2.202 122.060 119.950 -0.154 0.000 2.102 400 F HA -0.180 4.348 4.527 0.001 0.000 0.298 400 F C 2.454 178.208 175.800 -0.077 0.000 1.105 400 F CA 1.350 59.277 58.000 -0.121 0.000 1.239 400 F CB 0.002 38.956 39.000 -0.078 0.000 0.991 400 F HN -0.012 nan 8.300 nan 0.000 0.474 401 Q N 0.727 120.572 119.800 0.075 0.000 2.119 401 Q HA -0.172 4.168 4.340 0.001 0.000 0.201 401 Q C 2.174 178.127 176.000 -0.078 0.000 0.972 401 Q CA 1.427 57.213 55.803 -0.029 0.000 0.847 401 Q CB -0.451 28.258 28.738 -0.048 0.000 0.903 401 Q HN 0.502 nan 8.270 nan 0.000 0.433 402 K N -0.171 120.182 120.400 -0.080 0.000 2.063 402 K HA -0.117 4.204 4.320 0.001 0.000 0.208 402 K C 2.115 178.637 176.600 -0.129 0.000 1.048 402 K CA 1.246 57.484 56.287 -0.083 0.000 0.928 402 K CB -0.342 32.115 32.500 -0.072 0.000 0.713 402 K HN 0.280 nan 8.250 nan 0.000 0.442 403 G N 1.300 109.967 108.800 -0.223 0.000 2.418 403 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 403 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 403 G C 1.475 176.176 174.900 -0.332 0.000 1.158 403 G CA 0.558 45.460 45.100 -0.330 0.000 0.771 403 G HN 0.057 nan 8.290 nan 0.000 0.545 404 M N 0.338 119.738 119.600 -0.332 0.000 2.117 404 M HA -0.084 4.396 4.480 0.001 0.000 0.262 404 M C 2.629 178.888 176.300 -0.068 0.000 1.065 404 M CA 1.273 56.454 55.300 -0.199 0.000 1.114 404 M CB -1.259 31.363 32.600 0.038 0.000 1.361 404 M HN 0.342 nan 8.290 nan 0.000 0.408 405 Q N -0.262 119.553 119.800 0.025 0.000 2.084 405 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 405 Q C 2.088 178.128 176.000 0.065 0.000 0.978 405 Q CA 1.157 57.023 55.803 0.104 0.000 0.844 405 Q CB -0.308 28.457 28.738 0.045 0.000 0.898 405 Q HN 0.297 nan 8.270 nan 0.000 0.426 406 L N -0.257 120.962 121.223 -0.007 0.000 2.056 406 L HA -0.184 4.156 4.340 0.001 0.000 0.207 406 L C 2.136 179.019 176.870 0.021 0.000 1.078 406 L CA 1.680 56.513 54.840 -0.013 0.000 0.749 406 L CB -0.711 41.317 42.059 -0.051 0.000 0.901 406 L HN 0.228 nan 8.230 nan 0.000 0.433 407 Y N -0.438 119.776 120.300 -0.142 0.000 2.081 407 Y HA -0.323 4.228 4.550 0.001 0.000 0.280 407 Y C 2.153 178.064 175.900 0.018 0.000 1.163 407 Y CA 2.041 60.096 58.100 -0.075 0.000 1.135 407 Y CB -0.692 37.615 38.460 -0.255 0.000 0.970 407 Y HN 0.215 nan 8.280 nan 0.000 0.498 408 F N 0.752 120.728 119.950 0.044 0.000 2.146 408 F HA -0.122 4.406 4.527 0.001 0.000 0.298 408 F C 2.461 178.245 175.800 -0.026 0.000 1.096 408 F CA 1.665 59.650 58.000 -0.026 0.000 1.275 408 F CB -1.035 37.989 39.000 0.040 0.000 1.008 408 F HN 0.109 nan 8.300 nan 0.000 0.480 409 E N 0.018 120.303 120.200 0.142 0.000 2.070 409 E HA -0.233 4.117 4.350 0.001 0.000 0.197 409 E C 2.350 178.921 176.600 -0.048 0.000 1.004 409 E CA 1.413 57.842 56.400 0.049 0.000 0.805 409 E CB -0.164 29.546 29.700 0.017 0.000 0.744 409 E HN 0.398 nan 8.360 nan 0.000 0.451 410 R N -0.678 119.715 120.500 -0.179 0.000 2.119 410 R HA -0.020 4.321 4.340 0.001 0.000 0.222 410 R C 1.622 177.602 176.300 -0.534 0.000 1.088 410 R CA 0.902 56.739 56.100 -0.439 0.000 0.984 410 R CB 0.119 29.962 30.300 -0.762 0.000 0.884 410 R HN 0.286 nan 8.270 nan 0.000 0.447 411 H N -1.087 117.947 119.070 -0.059 0.000 3.058 411 H HA 0.105 4.662 4.556 0.001 0.000 0.266 411 H C -0.278 175.029 175.328 -0.035 0.000 1.135 411 H CA -0.520 55.474 56.048 -0.090 0.000 1.174 411 H CB 0.243 29.869 29.762 -0.226 0.000 1.581 411 H HN 0.055 nan 8.280 nan 0.000 0.553 412 D N 1.016 121.489 120.400 0.122 0.000 2.533 412 D HA 0.058 4.698 4.640 0.001 0.000 0.236 412 D C 1.450 177.813 176.300 0.105 0.000 1.137 412 D CA 1.779 55.880 54.000 0.168 0.000 0.867 412 D CB 0.364 41.303 40.800 0.232 0.000 1.170 412 D HN 0.612 nan 8.370 nan 0.000 0.474 413 G N 2.285 111.132 108.800 0.078 0.000 2.143 413 G HA2 -0.202 3.758 3.960 0.001 0.000 0.249 413 G HA3 -0.202 3.758 3.960 0.001 0.000 0.249 413 G C 0.292 175.230 174.900 0.063 0.000 0.981 413 G CA 0.753 45.896 45.100 0.071 0.000 0.665 413 G HN 1.084 nan 8.290 nan 0.000 0.528 414 S N -1.312 114.428 115.700 0.066 0.000 2.704 414 S HA 0.894 5.365 4.470 0.001 0.000 0.296 414 S C -0.200 174.427 174.600 0.045 0.000 1.138 414 S CA 0.168 58.406 58.200 0.064 0.000 0.875 414 S CB 2.228 65.485 63.200 0.096 0.000 1.151 414 S HN 1.881 nan 8.310 nan 0.000 0.500 415 A N 0.529 123.366 122.820 0.028 0.000 2.256 415 A HA 0.832 5.153 4.320 0.001 0.000 0.317 415 A C 0.237 177.798 177.584 -0.038 0.000 1.318 415 A CA -0.383 51.650 52.037 -0.006 0.000 0.894 415 A CB -0.212 18.776 19.000 -0.019 0.000 1.165 415 A HN 1.449 nan 8.150 nan 0.000 0.525 416 A N 2.035 124.822 122.820 -0.055 0.000 2.284 416 A HA 0.956 5.276 4.320 0.001 0.000 0.317 416 A C 0.490 178.009 177.584 -0.109 0.000 1.120 416 A CA 0.093 52.058 52.037 -0.119 0.000 0.900 416 A CB 0.727 19.595 19.000 -0.220 0.000 1.319 416 A HN 1.404 nan 8.150 nan 0.000 0.494 417 T N -3.792 110.687 114.554 -0.125 0.000 2.942 417 T HA 0.376 4.726 4.350 0.001 0.000 0.289 417 T C 0.924 175.585 174.700 -0.065 0.000 1.044 417 T CA -0.080 61.960 62.100 -0.101 0.000 1.023 417 T CB 0.686 69.480 68.868 -0.123 0.000 1.123 417 T HN 0.585 nan 8.240 nan 0.000 0.512 418 C N 0.489 119.746 119.300 -0.071 0.000 2.401 418 C HA -0.076 4.385 4.460 0.001 0.000 0.276 418 C C 2.512 177.371 174.990 -0.220 0.000 1.233 418 C CA 1.563 60.499 59.018 -0.136 0.000 1.753 418 C CB -1.415 26.220 27.740 -0.175 0.000 2.029 418 C HN 1.136 nan 8.230 nan 0.000 0.478 419 D N 0.593 120.878 120.400 -0.193 0.000 2.144 419 D HA -0.136 4.504 4.640 0.001 0.000 0.199 419 D C 1.638 177.890 176.300 -0.081 0.000 0.984 419 D CA 1.311 55.219 54.000 -0.154 0.000 0.834 419 D CB -0.196 40.546 40.800 -0.096 0.000 0.955 419 D HN 0.402 nan 8.370 nan 0.000 0.465 420 D N -0.610 119.751 120.400 -0.064 0.000 2.123 420 D HA -0.186 4.454 4.640 0.001 0.000 0.196 420 D C 1.738 178.061 176.300 0.038 0.000 0.992 420 D CA 0.605 54.582 54.000 -0.039 0.000 0.833 420 D CB -0.448 40.174 40.800 -0.296 0.000 0.954 420 D HN 0.305 nan 8.370 nan 0.000 0.455 421 F N 1.443 121.307 119.950 -0.145 0.000 2.113 421 F HA -0.191 4.336 4.527 0.001 0.000 0.297 421 F C 2.206 177.879 175.800 -0.212 0.000 1.103 421 F CA 0.975 58.806 58.000 -0.282 0.000 1.248 421 F CB -0.306 38.413 39.000 -0.468 0.000 0.999 421 F HN -0.224 nan 8.300 nan 0.000 0.475 422 V N 0.527 120.344 119.914 -0.162 0.000 2.343 422 V HA -0.346 3.775 4.120 0.001 0.000 0.247 422 V C 2.411 178.393 176.094 -0.186 0.000 1.051 422 V CA 2.267 64.460 62.300 -0.180 0.000 1.036 422 V CB -0.965 30.827 31.823 -0.051 0.000 0.654 422 V HN 0.464 nan 8.190 nan 0.000 0.451 423 Q N -0.083 119.650 119.800 -0.112 0.000 2.084 423 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 423 Q C 2.241 178.183 176.000 -0.096 0.000 0.978 423 Q CA 2.018 57.782 55.803 -0.064 0.000 0.844 423 Q CB -0.328 28.408 28.738 -0.003 0.000 0.898 423 Q HN 0.643 nan 8.270 nan 0.000 0.426 424 A N 0.352 123.099 122.820 -0.123 0.000 1.902 424 A HA -0.193 4.127 4.320 0.001 0.000 0.217 424 A C 2.048 179.472 177.584 -0.267 0.000 1.181 424 A CA 1.548 53.500 52.037 -0.142 0.000 0.623 424 A CB -0.485 18.477 19.000 -0.064 0.000 0.818 424 A HN 0.415 nan 8.150 nan 0.000 0.443 425 M N -0.777 118.559 119.600 -0.441 0.000 2.117 425 M HA -0.139 4.342 4.480 0.001 0.000 0.262 425 M C 2.103 178.253 176.300 -0.250 0.000 1.065 425 M CA 1.930 56.968 55.300 -0.436 0.000 1.114 425 M CB -1.217 31.041 32.600 -0.570 0.000 1.361 425 M HN 0.719 nan 8.290 nan 0.000 0.408 426 E N 0.415 120.503 120.200 -0.187 0.000 2.051 426 E HA -0.224 4.127 4.350 0.001 0.000 0.192 426 E C 1.394 177.943 176.600 -0.086 0.000 0.991 426 E CA 1.567 57.903 56.400 -0.106 0.000 0.799 426 E CB 0.151 29.816 29.700 -0.058 0.000 0.748 426 E HN 0.362 nan 8.360 nan 0.000 0.449 427 D N 0.118 120.466 120.400 -0.085 0.000 2.144 427 D HA -0.106 4.534 4.640 0.001 0.000 0.200 427 D C 1.792 178.051 176.300 -0.069 0.000 0.978 427 D CA 1.313 55.276 54.000 -0.062 0.000 0.833 427 D CB -0.301 40.470 40.800 -0.049 0.000 0.961 427 D HN 0.311 nan 8.370 nan 0.000 0.470 428 A N 0.641 123.404 122.820 -0.096 0.000 1.969 428 A HA -0.110 4.210 4.320 0.001 0.000 0.218 428 A C 2.241 179.776 177.584 -0.082 0.000 1.169 428 A CA 2.050 54.032 52.037 -0.092 0.000 0.635 428 A CB -0.260 18.666 19.000 -0.124 0.000 0.810 428 A HN 0.313 nan 8.150 nan 0.000 0.445 429 S N -2.197 113.449 115.700 -0.091 0.000 2.502 429 S HA 0.073 4.544 4.470 0.001 0.000 0.215 429 S C 0.668 175.236 174.600 -0.054 0.000 1.009 429 S CA 0.512 58.666 58.200 -0.076 0.000 0.908 429 S CB -0.121 63.023 63.200 -0.094 0.000 0.801 429 S HN 0.477 nan 8.310 nan 0.000 0.505 430 N N 0.452 119.123 118.700 -0.048 0.000 2.741 430 N HA -0.112 4.629 4.740 0.001 0.000 0.251 430 N C -0.847 174.651 175.510 -0.020 0.000 1.112 430 N CA 0.832 53.864 53.050 -0.030 0.000 0.750 430 N CB -1.859 36.614 38.487 -0.023 0.000 1.119 430 N HN 0.438 nan 8.380 nan 0.000 0.561 431 V N 1.028 120.924 119.914 -0.030 0.000 2.383 431 V HA 0.151 4.272 4.120 0.001 0.000 0.275 431 V C 0.564 176.663 176.094 0.007 0.000 1.036 431 V CA -0.821 61.471 62.300 -0.013 0.000 0.889 431 V CB 1.764 33.563 31.823 -0.040 0.000 0.985 431 V HN 0.068 nan 8.190 nan 0.000 0.459 432 D N 4.676 125.106 120.400 0.050 0.000 2.346 432 D HA 0.141 4.782 4.640 0.001 0.000 0.260 432 D C 0.414 176.799 176.300 0.143 0.000 1.252 432 D CA 0.254 54.304 54.000 0.082 0.000 0.895 432 D CB 0.810 41.663 40.800 0.089 0.000 1.097 432 D HN 0.475 nan 8.370 nan 0.000 0.489 433 L N 3.103 124.404 121.223 0.131 0.000 2.965 433 L HA 0.063 4.403 4.340 0.001 0.000 0.254 433 L C 2.036 179.083 176.870 0.296 0.000 1.220 433 L CA -0.182 54.790 54.840 0.220 0.000 1.023 433 L CB -0.039 42.081 42.059 0.102 0.000 1.355 433 L HN 0.347 nan 8.230 nan 0.000 0.545 434 S N -1.356 114.485 115.700 0.234 0.000 2.356 434 S HA -0.287 4.183 4.470 0.001 0.000 0.223 434 S C 1.881 176.654 174.600 0.288 0.000 1.032 434 S CA 1.427 59.751 58.200 0.206 0.000 1.005 434 S CB -0.515 62.766 63.200 0.135 0.000 0.867 434 S HN 0.604 nan 8.310 nan 0.000 0.449 435 H N -0.320 118.874 119.070 0.207 0.000 2.389 435 H HA -0.026 4.531 4.556 0.001 0.000 0.299 435 H C 1.986 177.479 175.328 0.274 0.000 1.081 435 H CA 1.103 57.266 56.048 0.190 0.000 1.345 435 H CB -0.230 29.627 29.762 0.158 0.000 1.393 435 H HN 0.454 nan 8.280 nan 0.000 0.520 436 F N 1.966 122.102 119.950 0.311 0.000 2.154 436 F HA -0.205 4.322 4.527 0.001 0.000 0.301 436 F C 2.433 178.456 175.800 0.372 0.000 1.087 436 F CA 1.359 59.541 58.000 0.303 0.000 1.274 436 F CB -0.198 38.939 39.000 0.229 0.000 1.009 436 F HN 0.025 nan 8.300 nan 0.000 0.485 437 R N -0.206 120.533 120.500 0.399 0.000 2.211 437 R HA -0.218 4.122 4.340 0.001 0.000 0.240 437 R C 2.312 178.769 176.300 0.261 0.000 1.144 437 R CA 1.338 57.645 56.100 0.345 0.000 0.992 437 R CB -0.446 29.986 30.300 0.221 0.000 0.869 437 R HN 0.302 nan 8.270 nan 0.000 0.462 438 R N -0.113 120.459 120.500 0.119 0.000 2.193 438 R HA -0.170 4.171 4.340 0.001 0.000 0.229 438 R C 1.243 177.505 176.300 -0.062 0.000 1.110 438 R CA 1.279 57.389 56.100 0.016 0.000 0.988 438 R CB -0.144 30.134 30.300 -0.036 0.000 0.871 438 R HN 0.317 nan 8.270 nan 0.000 0.458 439 W N -0.712 120.473 121.300 -0.190 0.000 2.392 439 W HA -0.172 4.488 4.660 0.001 0.000 0.279 439 W C 1.287 177.669 176.519 -0.230 0.000 1.225 439 W CA 0.627 57.790 57.345 -0.303 0.000 1.233 439 W CB -0.140 28.939 29.460 -0.635 0.000 1.122 439 W HN 0.165 nan 8.180 nan 0.000 0.561 440 Y N -1.492 118.888 120.300 0.132 0.000 2.457 440 Y HA -0.095 4.455 4.550 0.001 0.000 0.292 440 Y C 2.371 178.330 175.900 0.099 0.000 1.125 440 Y CA 1.237 59.408 58.100 0.119 0.000 1.254 440 Y CB -0.315 38.213 38.460 0.113 0.000 1.012 440 Y HN -0.224 nan 8.280 nan 0.000 0.555 441 S N -1.260 114.560 115.700 0.201 0.000 2.497 441 S HA 0.034 4.504 4.470 0.001 0.000 0.218 441 S C 0.496 175.146 174.600 0.083 0.000 1.023 441 S CA -0.200 58.080 58.200 0.134 0.000 0.913 441 S CB 0.248 63.512 63.200 0.107 0.000 0.800 441 S HN 0.300 nan 8.310 nan 0.000 0.505 442 Q N 2.033 121.858 119.800 0.041 0.000 2.322 442 Q HA 0.462 4.803 4.340 0.001 0.000 0.265 442 Q C -0.422 175.587 176.000 0.015 0.000 0.985 442 Q CA -0.531 55.272 55.803 -0.000 0.000 0.849 442 Q CB 1.205 29.892 28.738 -0.086 0.000 1.274 442 Q HN 0.358 nan 8.270 nan 0.000 0.449 443 S N 2.289 118.007 115.700 0.030 0.000 2.681 443 S HA 0.923 5.393 4.470 0.001 0.000 0.270 443 S C 0.329 174.931 174.600 0.003 0.000 1.209 443 S CA 0.034 58.252 58.200 0.031 0.000 0.988 443 S CB 1.250 64.484 63.200 0.058 0.000 1.006 443 S HN 1.196 nan 8.310 nan 0.000 0.558 444 G N -0.187 108.614 108.800 0.001 0.000 2.730 444 G HA2 0.017 3.977 3.960 0.001 0.000 0.686 444 G HA3 0.017 3.977 3.960 0.001 0.000 0.686 444 G C -0.563 174.309 174.900 -0.047 0.000 1.343 444 G CA -0.519 44.568 45.100 -0.023 0.000 0.826 444 G HN 1.107 nan 8.290 nan 0.000 0.582 445 T N 3.642 118.127 114.554 -0.116 0.000 2.743 445 T HA 0.597 4.948 4.350 0.001 0.000 0.292 445 T C -2.143 172.465 174.700 -0.154 0.000 0.972 445 T CA -0.670 61.300 62.100 -0.217 0.000 0.967 445 T CB 1.692 70.207 68.868 -0.589 0.000 0.926 445 T HN 0.522 nan 8.240 nan 0.000 0.459 446 P HA 0.292 nan 4.420 nan 0.000 0.271 446 P C -0.605 176.677 177.300 -0.029 0.000 1.218 446 P CA -0.362 62.703 63.100 -0.058 0.000 0.780 446 P CB 0.474 32.151 31.700 -0.038 0.000 0.901 447 I N 1.978 122.541 120.570 -0.011 0.000 2.362 447 I HA 0.249 4.419 4.170 0.001 0.000 0.289 447 I C -0.417 175.730 176.117 0.050 0.000 0.994 447 I CA -0.858 60.458 61.300 0.027 0.000 1.158 447 I CB 1.590 39.598 38.000 0.013 0.000 1.315 447 I HN -0.050 nan 8.210 nan 0.000 0.451 448 V N 5.364 125.338 119.914 0.100 0.000 2.347 448 V HA 0.340 4.460 4.120 0.001 0.000 0.280 448 V C 0.143 176.290 176.094 0.087 0.000 1.021 448 V CA -0.356 61.995 62.300 0.086 0.000 0.847 448 V CB 1.552 33.461 31.823 0.143 0.000 0.990 448 V HN 0.706 nan 8.190 nan 0.000 0.444 449 T N 4.914 119.488 114.554 0.034 0.000 2.771 449 T HA 0.597 4.948 4.350 0.001 0.000 0.281 449 T C -0.318 174.393 174.700 0.019 0.000 0.982 449 T CA -0.332 61.792 62.100 0.040 0.000 0.978 449 T CB 1.519 70.398 68.868 0.019 0.000 0.930 449 T HN 0.346 nan 8.240 nan 0.000 0.447 450 V N 4.434 124.393 119.914 0.074 0.000 2.487 450 V HA 0.510 4.630 4.120 0.001 0.000 0.298 450 V C -0.172 176.006 176.094 0.140 0.000 1.028 450 V CA -0.898 61.459 62.300 0.095 0.000 0.860 450 V CB 1.804 33.710 31.823 0.139 0.000 0.991 450 V HN 0.738 nan 8.190 nan 0.000 0.427 451 K N 3.307 123.750 120.400 0.072 0.000 2.316 451 K HA 0.674 4.994 4.320 0.001 0.000 0.251 451 K C -1.325 175.302 176.600 0.046 0.000 0.934 451 K CA -0.820 55.488 56.287 0.035 0.000 0.802 451 K CB 2.226 34.717 32.500 -0.016 0.000 1.171 451 K HN 0.896 nan 8.250 nan 0.000 0.426 452 D N 0.271 120.707 120.400 0.059 0.000 2.493 452 D HA 0.442 5.083 4.640 0.001 0.000 0.239 452 D C -1.297 175.000 176.300 -0.005 0.000 1.049 452 D CA -0.604 53.386 54.000 -0.016 0.000 1.008 452 D CB 1.842 42.678 40.800 0.060 0.000 1.398 452 D HN 0.431 nan 8.370 nan 0.000 0.513 453 D N -1.222 119.140 120.400 -0.063 0.000 2.966 453 D HA 0.285 4.926 4.640 0.001 0.000 0.222 453 D C -2.072 174.339 176.300 0.186 0.000 1.292 453 D CA -0.551 53.483 54.000 0.057 0.000 0.907 453 D CB 1.138 41.938 40.800 -0.000 0.000 1.621 453 D HN 0.336 nan 8.370 nan 0.000 0.557 454 Y N 3.787 124.191 120.300 0.173 0.000 2.331 454 Y HA 0.513 5.063 4.550 0.001 0.000 0.338 454 Y C -0.991 174.981 175.900 0.120 0.000 0.976 454 Y CA -0.932 57.303 58.100 0.225 0.000 1.137 454 Y CB 1.109 39.717 38.460 0.246 0.000 1.172 454 Y HN 0.352 nan 8.280 nan 0.000 0.478 455 N N 8.737 127.111 118.700 -0.543 0.000 2.546 455 N HA 0.278 5.019 4.740 0.001 0.000 0.238 455 N C -2.197 172.914 175.510 -0.665 0.000 0.984 455 N CA -2.396 50.395 53.050 -0.433 0.000 0.935 455 N CB 1.772 40.129 38.487 -0.216 0.000 1.122 455 N HN 0.418 nan 8.380 nan 0.000 0.510 456 P HA -0.080 nan 4.420 nan 0.000 0.221 456 P C 0.551 177.760 177.300 -0.153 0.000 1.150 456 P CA 1.098 64.031 63.100 -0.278 0.000 0.800 456 P CB 0.693 32.375 31.700 -0.030 0.000 0.787 457 E N -0.151 119.973 120.200 -0.128 0.000 2.106 457 E HA -0.099 4.252 4.350 0.001 0.000 0.192 457 E C 1.738 178.293 176.600 -0.074 0.000 0.984 457 E CA 1.949 58.304 56.400 -0.075 0.000 0.806 457 E CB -0.397 29.267 29.700 -0.059 0.000 0.750 457 E HN 0.402 nan 8.360 nan 0.000 0.458 458 T N -2.716 111.775 114.554 -0.106 0.000 3.023 458 T HA 0.131 4.481 4.350 0.001 0.000 0.253 458 T C 0.259 174.919 174.700 -0.067 0.000 1.038 458 T CA -0.131 61.926 62.100 -0.073 0.000 0.962 458 T CB 0.166 68.994 68.868 -0.068 0.000 1.018 458 T HN 0.086 nan 8.240 nan 0.000 0.521 459 E N 1.051 121.175 120.200 -0.127 0.000 2.389 459 E HA -0.175 4.176 4.350 0.001 0.000 0.243 459 E C -0.630 175.966 176.600 -0.007 0.000 1.154 459 E CA 0.259 56.620 56.400 -0.065 0.000 0.723 459 E CB -1.451 28.285 29.700 0.059 0.000 1.261 459 E HN 0.720 nan 8.360 nan 0.000 0.390 460 Q N 0.122 119.879 119.800 -0.072 0.000 2.337 460 Q HA 0.499 4.840 4.340 0.001 0.000 0.266 460 Q C -1.075 175.041 176.000 0.194 0.000 1.023 460 Q CA -0.772 55.072 55.803 0.070 0.000 0.829 460 Q CB 1.767 30.515 28.738 0.016 0.000 1.306 460 Q HN 0.237 nan 8.270 nan 0.000 0.449 461 Y N 1.190 121.628 120.300 0.229 0.000 2.335 461 Y HA 0.383 4.933 4.550 0.001 0.000 0.338 461 Y C -0.938 175.151 175.900 0.315 0.000 0.977 461 Y CA -0.322 57.966 58.100 0.313 0.000 1.114 461 Y CB 1.532 40.186 38.460 0.323 0.000 1.182 461 Y HN 0.451 nan 8.280 nan 0.000 0.463 462 T N 7.654 122.095 114.554 -0.188 0.000 2.792 462 T HA 0.499 4.850 4.350 0.001 0.000 0.280 462 T C -0.710 173.822 174.700 -0.279 0.000 0.990 462 T CA -0.605 61.410 62.100 -0.141 0.000 0.960 462 T CB 0.625 69.444 68.868 -0.082 0.000 0.939 462 T HN 0.505 nan 8.240 nan 0.000 0.439 463 L N 3.228 124.417 121.223 -0.057 0.000 2.272 463 L HA 0.448 4.789 4.340 0.001 0.000 0.289 463 L C 0.253 177.174 176.870 0.086 0.000 1.032 463 L CA -0.662 54.184 54.840 0.012 0.000 0.810 463 L CB 1.306 43.462 42.059 0.162 0.000 1.205 463 L HN 0.589 nan 8.230 nan 0.000 0.422 464 T N 4.975 119.544 114.554 0.025 0.000 2.753 464 T HA 0.560 4.910 4.350 0.001 0.000 0.297 464 T C -0.049 174.663 174.700 0.019 0.000 0.981 464 T CA -0.173 61.935 62.100 0.014 0.000 0.956 464 T CB 0.486 69.341 68.868 -0.022 0.000 0.936 464 T HN 0.273 nan 8.240 nan 0.000 0.463 465 I N 3.454 124.049 120.570 0.041 0.000 2.406 465 I HA 0.465 4.635 4.170 0.001 0.000 0.290 465 I C 0.353 176.461 176.117 -0.016 0.000 0.999 465 I CA -0.731 60.557 61.300 -0.020 0.000 1.124 465 I CB 1.809 39.764 38.000 -0.075 0.000 1.289 465 I HN 0.599 nan 8.210 nan 0.000 0.441 466 S N 5.164 120.844 115.700 -0.034 0.000 2.600 466 S HA 0.791 5.262 4.470 0.001 0.000 0.300 466 S C -0.931 173.658 174.600 -0.019 0.000 1.087 466 S CA -0.802 57.386 58.200 -0.021 0.000 0.965 466 S CB 2.225 65.413 63.200 -0.018 0.000 1.089 466 S HN 0.674 nan 8.310 nan 0.000 0.496 467 Q N 0.221 120.014 119.800 -0.011 0.000 2.389 467 Q HA 0.790 5.131 4.340 0.001 0.000 0.277 467 Q C -1.227 174.762 176.000 -0.018 0.000 1.082 467 Q CA -1.156 54.642 55.803 -0.008 0.000 0.810 467 Q CB 2.074 30.810 28.738 -0.004 0.000 1.374 467 Q HN 0.943 nan 8.270 nan 0.000 0.422 468 R N -0.266 120.221 120.500 -0.022 0.000 2.643 468 R HA 0.641 4.981 4.340 0.001 0.000 0.269 468 R C -1.526 174.748 176.300 -0.045 0.000 1.037 468 R CA -0.760 55.321 56.100 -0.033 0.000 0.894 468 R CB 1.979 32.265 30.300 -0.023 0.000 1.238 468 R HN 0.550 nan 8.270 nan 0.000 0.459 469 T N 3.428 117.948 114.554 -0.057 0.000 2.786 469 T HA 0.405 4.755 4.350 0.001 0.000 0.283 469 T C -2.507 172.167 174.700 -0.043 0.000 0.992 469 T CA -1.459 60.603 62.100 -0.063 0.000 0.954 469 T CB 1.652 70.466 68.868 -0.091 0.000 0.934 469 T HN 0.422 nan 8.240 nan 0.000 0.440 470 P HA 0.287 nan 4.420 nan 0.000 0.269 470 P C -0.365 176.926 177.300 -0.015 0.000 1.209 470 P CA -0.414 62.673 63.100 -0.021 0.000 0.776 470 P CB 0.338 32.027 31.700 -0.017 0.000 0.876 471 A N 2.615 125.431 122.820 -0.006 0.000 2.555 471 A HA 0.400 4.721 4.320 0.001 0.000 0.233 471 A C 0.663 178.254 177.584 0.012 0.000 1.060 471 A CA 0.607 52.647 52.037 0.004 0.000 0.759 471 A CB -0.635 18.370 19.000 0.009 0.000 0.995 471 A HN 0.641 nan 8.150 nan 0.000 0.506 472 T N -0.832 113.736 114.554 0.023 0.000 2.930 472 T HA 0.653 5.003 4.350 0.001 0.000 0.290 472 T C -2.308 172.421 174.700 0.048 0.000 1.052 472 T CA -1.592 60.529 62.100 0.036 0.000 1.017 472 T CB 1.576 70.469 68.868 0.042 0.000 1.137 472 T HN 0.279 nan 8.240 nan 0.000 0.511 473 P HA -0.042 nan 4.420 nan 0.000 0.220 473 P C 1.062 178.407 177.300 0.075 0.000 1.148 473 P CA 0.970 64.106 63.100 0.061 0.000 0.803 473 P CB 0.001 31.739 31.700 0.065 0.000 0.782 474 D N -1.429 119.025 120.400 0.091 0.000 2.333 474 D HA -0.060 4.581 4.640 0.001 0.000 0.208 474 D C 0.436 176.792 176.300 0.094 0.000 0.984 474 D CA 0.586 54.652 54.000 0.109 0.000 0.873 474 D CB -0.054 40.833 40.800 0.146 0.000 0.935 474 D HN 0.231 nan 8.370 nan 0.000 0.521 475 Q N -0.325 119.517 119.800 0.071 0.000 2.350 475 Q HA 0.548 4.889 4.340 0.001 0.000 0.255 475 Q C -0.329 175.693 176.000 0.037 0.000 0.951 475 Q CA -0.421 55.415 55.803 0.055 0.000 0.751 475 Q CB 2.313 31.081 28.738 0.050 0.000 1.296 475 Q HN 0.073 nan 8.270 nan 0.000 0.453 476 A N 2.357 125.197 122.820 0.033 0.000 2.067 476 A HA -0.054 4.266 4.320 0.001 0.000 0.217 476 A C 0.673 178.265 177.584 0.012 0.000 1.156 476 A CA 0.896 52.946 52.037 0.022 0.000 0.683 476 A CB 0.247 19.260 19.000 0.022 0.000 0.808 476 A HN 0.614 nan 8.150 nan 0.000 0.455 477 E N 0.964 121.171 120.200 0.012 0.000 2.156 477 E HA 0.362 4.713 4.350 0.001 0.000 0.279 477 E C -1.096 175.502 176.600 -0.005 0.000 0.965 477 E CA -0.589 55.813 56.400 0.002 0.000 0.789 477 E CB 0.504 30.206 29.700 0.003 0.000 1.098 477 E HN 0.050 nan 8.360 nan 0.000 0.397 478 K N 3.312 123.703 120.400 -0.016 0.000 2.375 478 K HA 0.408 4.728 4.320 0.001 0.000 0.249 478 K C -0.694 175.883 176.600 -0.038 0.000 0.942 478 K CA -0.743 55.525 56.287 -0.032 0.000 0.806 478 K CB 2.235 34.712 32.500 -0.038 0.000 1.227 478 K HN 0.593 nan 8.250 nan 0.000 0.430 479 Q N 1.065 120.834 119.800 -0.052 0.000 2.451 479 Q HA 0.469 4.809 4.340 0.001 0.000 0.281 479 Q C -2.481 173.485 176.000 -0.056 0.000 1.099 479 Q CA -2.170 53.607 55.803 -0.043 0.000 0.806 479 Q CB 2.146 30.865 28.738 -0.031 0.000 1.419 479 Q HN 0.244 nan 8.270 nan 0.000 0.427 480 P HA 0.064 nan 4.420 nan 0.000 0.269 480 P C -0.905 176.423 177.300 0.046 0.000 1.209 480 P CA 0.269 63.369 63.100 0.001 0.000 0.776 480 P CB 0.524 32.256 31.700 0.052 0.000 0.876 481 L N 1.181 122.303 121.223 -0.168 0.000 2.331 481 L HA 0.390 4.730 4.340 0.001 0.000 0.268 481 L C 0.913 177.522 176.870 -0.435 0.000 1.015 481 L CA -0.935 53.611 54.840 -0.489 0.000 0.807 481 L CB 0.835 42.274 42.059 -1.033 0.000 1.293 481 L HN 0.470 nan 8.230 nan 0.000 0.451 482 H N 1.871 120.498 119.070 -0.740 0.000 2.911 482 H HA 0.386 4.943 4.556 0.001 0.000 0.273 482 H C -0.837 174.655 175.328 0.274 0.000 1.157 482 H CA -0.549 55.359 56.048 -0.233 0.000 1.402 482 H CB 0.339 30.037 29.762 -0.107 0.000 1.463 482 H HN 0.337 nan 8.280 nan 0.000 0.475 483 I N 8.327 129.199 120.570 0.504 0.000 2.328 483 I HA 0.211 4.381 4.170 0.001 0.000 0.287 483 I C -2.311 174.066 176.117 0.434 0.000 1.012 483 I CA -2.336 59.262 61.300 0.496 0.000 1.195 483 I CB 1.580 39.804 38.000 0.374 0.000 1.350 483 I HN 0.525 nan 8.210 nan 0.000 0.464 484 P HA 0.100 nan 4.420 nan 0.000 0.276 484 P C -0.848 176.575 177.300 0.205 0.000 1.264 484 P CA 0.059 63.287 63.100 0.214 0.000 0.769 484 P CB 0.096 31.842 31.700 0.077 0.000 0.840 485 F N 3.954 123.933 119.950 0.048 0.000 2.359 485 F HA 0.591 5.118 4.527 0.001 0.000 0.369 485 F C -0.140 175.650 175.800 -0.016 0.000 1.084 485 F CA -0.854 57.152 58.000 0.010 0.000 1.096 485 F CB 0.556 39.549 39.000 -0.013 0.000 1.335 485 F HN 0.265 nan 8.300 nan 0.000 0.457 486 A N 7.314 129.983 122.820 -0.250 0.000 2.366 486 A HA 0.643 4.963 4.320 0.001 0.000 0.272 486 A C -0.330 177.130 177.584 -0.208 0.000 1.135 486 A CA -0.367 51.578 52.037 -0.153 0.000 0.804 486 A CB 0.028 18.964 19.000 -0.106 0.000 1.064 486 A HN 0.851 nan 8.150 nan 0.000 0.499 487 I N -1.174 119.345 120.570 -0.085 0.000 3.002 487 I HA 0.930 5.101 4.170 0.001 0.000 0.310 487 I C -0.660 175.404 176.117 -0.088 0.000 1.087 487 I CA -0.874 60.386 61.300 -0.067 0.000 1.017 487 I CB 2.334 40.324 38.000 -0.017 0.000 1.226 487 I HN 0.649 nan 8.210 nan 0.000 0.443 488 E N 3.053 123.192 120.200 -0.101 0.000 2.343 488 E HA 0.606 4.956 4.350 0.001 0.000 0.278 488 E C -2.050 174.354 176.600 -0.326 0.000 0.910 488 E CA -0.688 55.571 56.400 -0.236 0.000 0.757 488 E CB 2.417 31.980 29.700 -0.229 0.000 1.218 488 E HN 0.711 nan 8.360 nan 0.000 0.435 489 L N 3.996 124.941 121.223 -0.463 0.000 2.322 489 L HA 0.535 4.875 4.340 0.001 0.000 0.281 489 L C -1.155 175.418 176.870 -0.495 0.000 1.014 489 L CA -0.936 53.660 54.840 -0.408 0.000 0.815 489 L CB 1.016 42.836 42.059 -0.398 0.000 1.247 489 L HN 0.572 nan 8.230 nan 0.000 0.421 490 Y N 0.523 120.786 120.300 -0.062 0.000 2.364 490 Y HA 0.272 4.823 4.550 0.001 0.000 0.340 490 Y C 0.254 176.131 175.900 -0.038 0.000 0.975 490 Y CA -1.181 56.938 58.100 0.032 0.000 1.089 490 Y CB 1.446 40.063 38.460 0.263 0.000 1.192 490 Y HN 0.618 nan 8.280 nan 0.000 0.454 491 D N 0.138 120.621 120.400 0.139 0.000 2.414 491 D HA -0.024 4.617 4.640 0.001 0.000 0.251 491 D C 0.726 177.081 176.300 0.092 0.000 1.252 491 D CA -0.476 53.562 54.000 0.063 0.000 0.999 491 D CB 0.478 41.324 40.800 0.077 0.000 1.093 491 D HN 0.544 nan 8.370 nan 0.000 0.515 492 N N -0.620 118.079 118.700 -0.002 0.000 2.550 492 N HA -0.132 4.609 4.740 0.001 0.000 0.186 492 N C 0.541 176.095 175.510 0.073 0.000 1.110 492 N CA 0.643 53.707 53.050 0.023 0.000 0.912 492 N CB -0.228 38.219 38.487 -0.066 0.000 0.968 492 N HN 0.483 nan 8.380 nan 0.000 0.448 493 E N -0.698 119.500 120.200 -0.002 0.000 2.474 493 E HA 0.261 4.611 4.350 0.001 0.000 0.194 493 E C 0.882 177.323 176.600 -0.265 0.000 1.041 493 E CA 0.523 56.863 56.400 -0.100 0.000 0.874 493 E CB -0.000 29.672 29.700 -0.047 0.000 0.914 493 E HN 0.455 nan 8.360 nan 0.000 0.498 494 G N 0.969 109.675 108.800 -0.157 0.000 2.132 494 G HA2 -0.240 3.720 3.960 0.001 0.000 0.234 494 G HA3 -0.240 3.720 3.960 0.001 0.000 0.234 494 G C -0.041 174.951 174.900 0.153 0.000 0.989 494 G CA -0.164 44.811 45.100 -0.207 0.000 0.676 494 G HN 0.000 nan 8.290 nan 0.000 0.522 495 K N 0.539 121.033 120.400 0.155 0.000 2.174 495 K HA 0.525 4.846 4.320 0.001 0.000 0.275 495 K C 0.693 177.375 176.600 0.137 0.000 1.015 495 K CA -0.634 55.738 56.287 0.142 0.000 0.933 495 K CB 2.125 34.671 32.500 0.077 0.000 1.025 495 K HN 0.089 nan 8.250 nan 0.000 0.463 496 V N 4.519 124.461 119.914 0.048 0.000 2.521 496 V HA 0.064 4.184 4.120 0.001 0.000 0.286 496 V C 0.777 176.810 176.094 -0.102 0.000 1.034 496 V CA -0.182 62.031 62.300 -0.146 0.000 1.045 496 V CB 0.077 31.812 31.823 -0.147 0.000 0.974 496 V HN 0.524 nan 8.190 nan 0.000 0.480 497 I N 7.818 128.291 120.570 -0.161 0.000 2.352 497 I HA 0.255 4.426 4.170 0.001 0.000 0.290 497 I C -1.979 174.063 176.117 -0.125 0.000 1.036 497 I CA -1.670 59.559 61.300 -0.119 0.000 1.336 497 I CB 1.101 39.009 38.000 -0.154 0.000 1.407 497 I HN 0.462 nan 8.210 nan 0.000 0.497 498 P HA 0.079 nan 4.420 nan 0.000 0.264 498 P C -0.793 176.483 177.300 -0.040 0.000 1.193 498 P CA 0.045 63.120 63.100 -0.043 0.000 0.763 498 P CB 0.335 32.032 31.700 -0.005 0.000 0.810 499 L N 4.552 125.766 121.223 -0.015 0.000 2.290 499 L HA 0.403 4.744 4.340 0.001 0.000 0.284 499 L C 0.835 177.805 176.870 0.167 0.000 1.078 499 L CA 0.022 54.903 54.840 0.067 0.000 0.815 499 L CB 0.217 42.300 42.059 0.040 0.000 1.162 499 L HN 0.505 nan 8.230 nan 0.000 0.435 500 Q N 2.704 122.648 119.800 0.240 0.000 2.575 500 Q HA 0.736 5.077 4.340 0.001 0.000 0.290 500 Q C -1.558 174.543 176.000 0.168 0.000 0.963 500 Q CA -1.302 54.607 55.803 0.176 0.000 0.783 500 Q CB 2.554 31.347 28.738 0.092 0.000 1.467 500 Q HN 0.243 nan 8.270 nan 0.000 0.402 501 K N -0.371 120.093 120.400 0.107 0.000 2.550 501 K HA 0.502 4.823 4.320 0.001 0.000 0.252 501 K C -0.093 176.532 176.600 0.041 0.000 0.943 501 K CA 0.487 56.806 56.287 0.053 0.000 0.806 501 K CB 1.673 34.175 32.500 0.003 0.000 1.289 501 K HN 1.063 nan 8.250 nan 0.000 0.435 502 G N 2.201 111.000 108.800 -0.003 0.000 2.321 502 G HA2 -0.093 3.867 3.960 0.001 0.000 0.287 502 G HA3 -0.093 3.867 3.960 0.001 0.000 0.287 502 G C 0.906 175.670 174.900 -0.227 0.000 1.018 502 G CA 1.182 46.254 45.100 -0.047 0.000 0.855 502 G HN 1.847 nan 8.290 nan 0.000 0.507 503 G N -1.719 106.958 108.800 -0.204 0.000 2.143 503 G HA2 -0.212 3.749 3.960 0.001 0.000 0.249 503 G HA3 -0.212 3.749 3.960 0.001 0.000 0.249 503 G C 0.061 174.702 174.900 -0.431 0.000 0.981 503 G CA 0.759 45.677 45.100 -0.303 0.000 0.665 503 G HN 1.464 nan 8.290 nan 0.000 0.528 504 H N -0.236 118.855 119.070 0.035 0.000 2.637 504 H HA 0.443 5.000 4.556 0.001 0.000 0.363 504 H C -2.599 172.760 175.328 0.052 0.000 1.131 504 H CA -1.972 54.099 56.048 0.038 0.000 1.183 504 H CB 1.935 31.715 29.762 0.031 0.000 1.637 504 H HN 0.058 nan 8.280 nan 0.000 0.531 505 P HA 0.041 nan 4.420 nan 0.000 0.269 505 P C -0.326 177.061 177.300 0.146 0.000 1.209 505 P CA -0.211 62.968 63.100 0.132 0.000 0.776 505 P CB 0.824 32.583 31.700 0.098 0.000 0.876 506 V N 2.878 122.889 119.914 0.163 0.000 2.555 506 V HA 0.275 4.395 4.120 0.001 0.000 0.302 506 V C 0.441 176.633 176.094 0.164 0.000 1.038 506 V CA -0.880 61.531 62.300 0.185 0.000 0.887 506 V CB 1.711 33.701 31.823 0.278 0.000 0.991 506 V HN 0.569 nan 8.190 nan 0.000 0.434 507 N N 2.048 120.831 118.700 0.138 0.000 2.492 507 N HA -0.018 4.723 4.740 0.001 0.000 0.262 507 N C 1.385 176.964 175.510 0.116 0.000 1.202 507 N CA 0.692 53.804 53.050 0.104 0.000 0.926 507 N CB 1.582 40.122 38.487 0.087 0.000 1.078 507 N HN 0.843 nan 8.380 nan 0.000 0.454 508 S N 1.679 117.418 115.700 0.066 0.000 2.481 508 S HA -0.034 4.436 4.470 0.001 0.000 0.231 508 S C 0.775 175.398 174.600 0.040 0.000 0.996 508 S CA 0.123 58.344 58.200 0.036 0.000 0.942 508 S CB -0.002 63.192 63.200 -0.010 0.000 0.768 508 S HN 0.283 nan 8.310 nan 0.000 0.520 509 V N 3.664 123.610 119.914 0.053 0.000 2.339 509 V HA 0.325 4.445 4.120 0.001 0.000 0.261 509 V C 0.061 176.213 176.094 0.098 0.000 1.058 509 V CA -0.476 61.861 62.300 0.061 0.000 0.897 509 V CB 0.306 32.158 31.823 0.048 0.000 1.052 509 V HN 0.439 nan 8.190 nan 0.000 0.480 510 L N 4.740 126.013 121.223 0.083 0.000 2.397 510 L HA 0.383 4.724 4.340 0.001 0.000 0.271 510 L C 0.591 177.540 176.870 0.133 0.000 1.148 510 L CA -0.268 54.569 54.840 -0.006 0.000 0.825 510 L CB 0.433 42.230 42.059 -0.437 0.000 1.117 510 L HN 0.539 nan 8.230 nan 0.000 0.456 511 N N 2.710 121.552 118.700 0.237 0.000 2.521 511 N HA 0.121 4.861 4.740 0.001 0.000 0.236 511 N C -0.649 175.068 175.510 0.345 0.000 1.067 511 N CA -0.129 53.108 53.050 0.312 0.000 0.939 511 N CB 1.441 40.069 38.487 0.234 0.000 1.201 511 N HN 0.250 nan 8.380 nan 0.000 0.511 512 V N 2.559 122.663 119.914 0.317 0.000 2.338 512 V HA 0.075 4.195 4.120 0.001 0.000 0.255 512 V C 1.527 177.747 176.094 0.211 0.000 1.082 512 V CA 0.086 62.552 62.300 0.278 0.000 0.951 512 V CB 0.068 31.981 31.823 0.149 0.000 1.102 512 V HN 0.657 nan 8.190 nan 0.000 0.489 513 T N 0.455 115.107 114.554 0.164 0.000 2.985 513 T HA 0.244 4.595 4.350 0.001 0.000 0.254 513 T C 0.575 175.382 174.700 0.179 0.000 1.021 513 T CA -0.165 62.034 62.100 0.165 0.000 0.957 513 T CB 0.452 69.384 68.868 0.108 0.000 1.047 513 T HN 0.469 nan 8.240 nan 0.000 0.511 514 Q N 0.088 119.940 119.800 0.087 0.000 2.240 514 Q HA 0.727 5.067 4.340 0.001 0.000 0.260 514 Q C 1.278 177.289 176.000 0.018 0.000 1.018 514 Q CA -0.157 55.663 55.803 0.029 0.000 0.898 514 Q CB 1.754 30.481 28.738 -0.019 0.000 1.301 514 Q HN 0.223 nan 8.270 nan 0.000 0.469 515 A N 0.943 123.760 122.820 -0.006 0.000 1.940 515 A HA -0.124 4.196 4.320 0.001 0.000 0.219 515 A C 0.391 177.964 177.584 -0.018 0.000 1.176 515 A CA 1.492 53.520 52.037 -0.014 0.000 0.631 515 A CB 0.201 19.187 19.000 -0.024 0.000 0.814 515 A HN 0.593 nan 8.150 nan 0.000 0.446 516 E N -0.316 119.867 120.200 -0.029 0.000 2.308 516 E HA 0.440 4.791 4.350 0.001 0.000 0.275 516 E C -1.182 175.378 176.600 -0.068 0.000 0.890 516 E CA -0.580 55.796 56.400 -0.040 0.000 0.754 516 E CB 1.646 31.319 29.700 -0.045 0.000 1.207 516 E HN 0.614 nan 8.360 nan 0.000 0.426 517 Q N 0.256 120.005 119.800 -0.084 0.000 2.522 517 Q HA 0.521 4.861 4.340 0.001 0.000 0.285 517 Q C -1.173 174.682 176.000 -0.241 0.000 0.982 517 Q CA -0.813 54.868 55.803 -0.203 0.000 0.805 517 Q CB 2.080 30.642 28.738 -0.293 0.000 1.457 517 Q HN 0.376 nan 8.270 nan 0.000 0.394 518 T N 0.392 114.714 114.554 -0.385 0.000 2.856 518 T HA 0.754 5.105 4.350 0.001 0.000 0.283 518 T C -1.584 172.773 174.700 -0.571 0.000 1.008 518 T CA -0.343 61.577 62.100 -0.301 0.000 0.997 518 T CB 0.537 69.293 68.868 -0.187 0.000 0.992 518 T HN 0.379 nan 8.240 nan 0.000 0.454 519 F N 3.379 123.249 119.950 -0.133 0.000 2.507 519 F HA 0.603 5.130 4.527 0.001 0.000 0.328 519 F C -0.246 175.310 175.800 -0.407 0.000 1.136 519 F CA -0.921 56.925 58.000 -0.257 0.000 0.930 519 F CB 2.136 41.058 39.000 -0.131 0.000 1.166 519 F HN 0.271 nan 8.300 nan 0.000 0.436 520 V N 4.124 123.793 119.914 -0.409 0.000 2.459 520 V HA 0.478 4.599 4.120 0.001 0.000 0.295 520 V C -0.748 175.018 176.094 -0.546 0.000 1.029 520 V CA -0.935 61.172 62.300 -0.322 0.000 0.874 520 V CB 1.552 33.275 31.823 -0.166 0.000 0.985 520 V HN 0.476 nan 8.190 nan 0.000 0.438 521 F N 2.986 123.006 119.950 0.116 0.000 2.507 521 F HA 0.595 5.122 4.527 0.001 0.000 0.325 521 F C 0.134 175.981 175.800 0.079 0.000 1.116 521 F CA -0.908 57.160 58.000 0.114 0.000 0.930 521 F CB 1.699 40.796 39.000 0.163 0.000 1.146 521 F HN 0.667 nan 8.300 nan 0.000 0.447 522 D N -0.122 120.381 120.400 0.172 0.000 2.569 522 D HA 0.271 4.912 4.640 0.001 0.000 0.266 522 D C -0.042 176.257 176.300 -0.003 0.000 1.164 522 D CA -0.782 53.265 54.000 0.078 0.000 1.071 522 D CB 0.380 41.201 40.800 0.034 0.000 1.183 522 D HN 0.522 nan 8.370 nan 0.000 0.613 523 N N -1.675 116.975 118.700 -0.084 0.000 2.721 523 N HA -0.128 4.612 4.740 0.001 0.000 0.249 523 N C -0.918 174.168 175.510 -0.708 0.000 1.072 523 N CA 0.466 53.291 53.050 -0.376 0.000 0.710 523 N CB -0.958 37.384 38.487 -0.241 0.000 0.993 523 N HN 0.274 nan 8.380 nan 0.000 0.547 524 V N 2.070 121.801 119.914 -0.306 0.000 2.304 524 V HA 0.124 4.244 4.120 0.001 0.000 0.262 524 V C 0.809 176.865 176.094 -0.063 0.000 1.061 524 V CA -0.392 61.806 62.300 -0.170 0.000 0.872 524 V CB 0.153 32.056 31.823 0.135 0.000 1.077 524 V HN 0.165 nan 8.190 nan 0.000 0.480 525 Y N 3.336 123.635 120.300 -0.001 0.000 2.457 525 Y HA 0.264 4.814 4.550 0.001 0.000 0.292 525 Y C 0.564 176.097 175.900 -0.612 0.000 1.125 525 Y CA 0.115 58.051 58.100 -0.272 0.000 1.254 525 Y CB -0.164 38.115 38.460 -0.301 0.000 1.012 525 Y HN 0.438 nan 8.280 nan 0.000 0.555 526 F N -1.166 118.866 119.950 0.137 0.000 2.613 526 F HA 0.334 4.861 4.527 0.001 0.000 0.314 526 F C 0.013 175.505 175.800 -0.513 0.000 1.075 526 F CA -2.039 55.927 58.000 -0.058 0.000 0.945 526 F CB 1.086 40.075 39.000 -0.017 0.000 1.310 526 F HN -0.428 nan 8.300 nan 0.000 0.467 527 Q N 4.267 123.714 119.800 -0.589 0.000 2.247 527 Q HA 0.159 4.500 4.340 0.001 0.000 0.288 527 Q C -2.417 173.275 176.000 -0.514 0.000 1.079 527 Q CA -1.332 53.890 55.803 -0.969 0.000 0.932 527 Q CB 0.628 29.067 28.738 -0.498 0.000 1.133 527 Q HN 0.184 nan 8.270 nan 0.000 0.377 528 P HA 0.179 nan 4.420 nan 0.000 0.282 528 P C -1.204 175.887 177.300 -0.348 0.000 1.259 528 P CA -0.498 62.338 63.100 -0.440 0.000 0.826 528 P CB 1.186 32.505 31.700 -0.635 0.000 1.064 529 V N 3.497 123.260 119.914 -0.252 0.000 2.370 529 V HA 0.327 4.448 4.120 0.001 0.000 0.279 529 V C -1.971 174.165 176.094 0.071 0.000 1.029 529 V CA -1.742 60.483 62.300 -0.125 0.000 0.870 529 V CB 1.183 32.790 31.823 -0.360 0.000 0.984 529 V HN 0.600 nan 8.190 nan 0.000 0.451 530 P HA 0.479 nan 4.420 nan 0.000 0.286 530 P C -0.973 176.531 177.300 0.340 0.000 1.261 530 P CA -0.523 62.652 63.100 0.125 0.000 0.821 530 P CB 1.809 33.525 31.700 0.026 0.000 1.013 531 A N 4.264 127.276 122.820 0.321 0.000 2.276 531 A HA 0.648 4.968 4.320 0.001 0.000 0.316 531 A C -0.349 177.355 177.584 0.201 0.000 1.229 531 A CA -0.693 51.544 52.037 0.333 0.000 0.851 531 A CB 0.078 19.302 19.000 0.372 0.000 1.165 531 A HN 0.515 nan 8.150 nan 0.000 0.513 532 L N 2.150 123.515 121.223 0.237 0.000 2.342 532 L HA 0.510 4.850 4.340 0.001 0.000 0.271 532 L C -0.016 176.805 176.870 -0.081 0.000 1.008 532 L CA -1.067 53.810 54.840 0.061 0.000 0.818 532 L CB 1.716 43.881 42.059 0.178 0.000 1.296 532 L HN 0.742 nan 8.230 nan 0.000 0.427 533 L N 2.284 123.135 121.223 -0.619 0.000 3.660 533 L HA -0.222 4.119 4.340 0.001 0.000 0.440 533 L C -0.209 176.601 176.870 -0.101 0.000 1.262 533 L CA 0.234 54.771 54.840 -0.505 0.000 0.837 533 L CB -1.130 40.815 42.059 -0.189 0.000 1.689 533 L HN 0.714 nan 8.230 nan 0.000 0.890 534 C N 1.481 120.723 119.300 -0.096 0.000 2.611 534 C HA 0.093 4.554 4.460 0.001 0.000 0.416 534 C C 1.898 176.892 174.990 0.006 0.000 1.366 534 C CA 0.418 59.470 59.018 0.055 0.000 1.761 534 C CB -0.118 27.642 27.740 0.035 0.000 2.619 534 C HN 0.845 nan 8.230 nan 0.000 0.606 535 E N 0.540 120.748 120.200 0.013 0.000 2.660 535 E HA -0.293 4.058 4.350 0.001 0.000 0.260 535 E C 0.122 176.472 176.600 -0.417 0.000 1.122 535 E CA 0.653 56.793 56.400 -0.433 0.000 0.755 535 E CB -1.200 28.369 29.700 -0.218 0.000 1.345 535 E HN 0.821 nan 8.360 nan 0.000 0.421 536 F N -0.411 119.336 119.950 -0.337 0.000 2.807 536 F HA -0.295 4.232 4.527 0.001 0.000 0.297 536 F C 1.307 177.040 175.800 -0.112 0.000 1.024 536 F CA 0.927 58.850 58.000 -0.127 0.000 1.008 536 F CB -1.472 37.437 39.000 -0.152 0.000 1.142 536 F HN 0.182 nan 8.300 nan 0.000 0.829 537 S N 0.449 116.037 115.700 -0.186 0.000 2.507 537 S HA 0.512 4.983 4.470 0.001 0.000 0.235 537 S C 0.862 175.332 174.600 -0.218 0.000 0.988 537 S CA 0.488 58.582 58.200 -0.176 0.000 0.944 537 S CB 0.144 63.258 63.200 -0.143 0.000 0.762 537 S HN 1.584 nan 8.310 nan 0.000 0.526 538 A N 1.483 124.093 122.820 -0.350 0.000 2.549 538 A HA 0.694 5.015 4.320 0.001 0.000 0.297 538 A C -3.169 174.044 177.584 -0.618 0.000 1.061 538 A CA -1.881 49.956 52.037 -0.333 0.000 0.690 538 A CB 1.163 20.157 19.000 -0.010 0.000 1.287 538 A HN 0.130 nan 8.150 nan 0.000 0.402 539 P HA 0.342 nan 4.420 nan 0.000 0.238 539 P C -0.405 176.985 177.300 0.150 0.000 1.794 539 P CA 0.201 63.176 63.100 -0.209 0.000 1.088 539 P CB -0.190 31.552 31.700 0.071 0.000 1.923 540 V N -0.346 119.636 119.914 0.113 0.000 3.130 540 V HA 0.584 4.704 4.120 0.001 0.000 0.310 540 V C -0.468 175.834 176.094 0.346 0.000 1.158 540 V CA -1.524 60.886 62.300 0.183 0.000 1.029 540 V CB 2.562 34.497 31.823 0.188 0.000 1.057 540 V HN -0.016 nan 8.190 nan 0.000 0.436 541 K N 2.075 122.588 120.400 0.189 0.000 2.234 541 K HA 0.621 4.942 4.320 0.001 0.000 0.282 541 K C -0.980 175.782 176.600 0.270 0.000 1.039 541 K CA -0.479 55.976 56.287 0.280 0.000 0.928 541 K CB 1.586 34.168 32.500 0.137 0.000 1.039 541 K HN 0.643 nan 8.250 nan 0.000 0.470 542 L N 2.858 124.281 121.223 0.333 0.000 2.282 542 L HA 0.215 4.556 4.340 0.001 0.000 0.288 542 L C -0.800 176.243 176.870 0.288 0.000 1.033 542 L CA 0.161 55.205 54.840 0.340 0.000 0.807 542 L CB 1.032 43.347 42.059 0.426 0.000 1.209 542 L HN 0.558 nan 8.230 nan 0.000 0.423 543 E N 5.418 125.754 120.200 0.226 0.000 2.102 543 E HA 0.278 4.629 4.350 0.001 0.000 0.263 543 E C -1.872 174.826 176.600 0.163 0.000 0.894 543 E CA -0.367 56.133 56.400 0.167 0.000 0.746 543 E CB 1.410 31.167 29.700 0.095 0.000 1.129 543 E HN 0.544 nan 8.360 nan 0.000 0.416 544 Y N 1.394 121.669 120.300 -0.043 0.000 2.470 544 Y HA 0.252 4.803 4.550 0.001 0.000 0.341 544 Y C -0.903 174.799 175.900 -0.330 0.000 1.021 544 Y CA -1.016 56.921 58.100 -0.273 0.000 1.025 544 Y CB 1.374 39.513 38.460 -0.534 0.000 1.266 544 Y HN 0.177 nan 8.280 nan 0.000 0.448 545 K N 6.163 126.029 120.400 -0.889 0.000 2.278 545 K HA 0.085 4.405 4.320 0.001 0.000 0.237 545 K C -1.237 175.069 176.600 -0.489 0.000 1.229 545 K CA -0.145 55.834 56.287 -0.514 0.000 1.155 545 K CB -0.055 32.219 32.500 -0.378 0.000 1.590 545 K HN 0.516 nan 8.250 nan 0.000 0.290 546 W N 1.662 122.915 121.300 -0.079 0.000 2.231 546 W HA -0.092 4.568 4.660 0.001 0.000 0.341 546 W C 1.246 177.792 176.519 0.045 0.000 1.298 546 W CA -0.251 57.164 57.345 0.118 0.000 1.266 546 W CB 0.313 29.890 29.460 0.195 0.000 1.172 546 W HN 0.320 nan 8.180 nan 0.000 0.568 547 S N 1.275 117.179 115.700 0.341 0.000 2.632 547 S HA 0.127 4.598 4.470 0.001 0.000 0.271 547 S C 0.679 175.423 174.600 0.240 0.000 1.260 547 S CA -0.674 57.658 58.200 0.220 0.000 1.010 547 S CB 1.486 64.772 63.200 0.144 0.000 0.965 547 S HN 0.522 nan 8.310 nan 0.000 0.534 548 D N 1.289 121.805 120.400 0.193 0.000 2.149 548 D HA -0.090 4.550 4.640 0.001 0.000 0.198 548 D C 1.830 178.206 176.300 0.126 0.000 0.990 548 D CA 1.549 55.668 54.000 0.197 0.000 0.839 548 D CB -0.223 40.757 40.800 0.300 0.000 0.948 548 D HN 0.612 nan 8.370 nan 0.000 0.460 549 Q N 0.072 119.924 119.800 0.085 0.000 2.187 549 Q HA 0.022 4.362 4.340 0.001 0.000 0.199 549 Q C 2.090 178.170 176.000 0.133 0.000 0.957 549 Q CA 0.658 56.504 55.803 0.071 0.000 0.857 549 Q CB -0.124 28.627 28.738 0.021 0.000 0.929 549 Q HN 0.399 nan 8.270 nan 0.000 0.453 550 Q N -0.127 119.772 119.800 0.165 0.000 2.096 550 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 550 Q C 1.925 178.039 176.000 0.190 0.000 0.982 550 Q CA 1.169 57.106 55.803 0.222 0.000 0.850 550 Q CB -0.144 28.853 28.738 0.432 0.000 0.901 550 Q HN 0.366 nan 8.270 nan 0.000 0.422 551 L N 0.089 121.361 121.223 0.081 0.000 2.056 551 L HA -0.162 4.178 4.340 0.001 0.000 0.207 551 L C 2.735 179.560 176.870 -0.076 0.000 1.078 551 L CA 1.588 56.357 54.840 -0.118 0.000 0.749 551 L CB -0.867 41.079 42.059 -0.189 0.000 0.901 551 L HN 0.399 nan 8.230 nan 0.000 0.433 552 T N -2.768 111.783 114.554 -0.005 0.000 2.904 552 T HA -0.219 4.132 4.350 0.001 0.000 0.267 552 T C 1.736 176.423 174.700 -0.022 0.000 1.059 552 T CA 0.780 62.851 62.100 -0.047 0.000 1.137 552 T CB -0.698 68.159 68.868 -0.017 0.000 0.879 552 T HN 0.254 nan 8.240 nan 0.000 0.467 553 F N 2.083 121.997 119.950 -0.060 0.000 2.095 553 F HA 0.034 4.561 4.527 0.001 0.000 0.298 553 F C 1.974 177.731 175.800 -0.070 0.000 1.104 553 F CA 1.253 59.253 58.000 -0.001 0.000 1.232 553 F CB -0.351 38.679 39.000 0.050 0.000 0.987 553 F HN 0.060 nan 8.300 nan 0.000 0.475 554 L N -0.309 120.977 121.223 0.105 0.000 2.083 554 L HA -0.257 4.083 4.340 0.001 0.000 0.209 554 L C 2.529 179.253 176.870 -0.243 0.000 1.083 554 L CA 1.432 56.210 54.840 -0.104 0.000 0.752 554 L CB -0.620 41.394 42.059 -0.074 0.000 0.899 554 L HN 0.259 nan 8.230 nan 0.000 0.433 555 M N -0.937 118.520 119.600 -0.238 0.000 2.202 555 M HA -0.207 4.273 4.480 0.001 0.000 0.262 555 M C 2.331 178.437 176.300 -0.322 0.000 1.063 555 M CA 1.738 56.876 55.300 -0.271 0.000 1.097 555 M CB -0.274 32.153 32.600 -0.289 0.000 1.382 555 M HN 0.166 nan 8.290 nan 0.000 0.413 556 R N -1.447 118.793 120.500 -0.434 0.000 2.112 556 R HA 0.006 4.346 4.340 0.001 0.000 0.216 556 R C 1.577 177.418 176.300 -0.765 0.000 1.080 556 R CA 0.763 56.484 56.100 -0.630 0.000 0.996 556 R CB 0.059 29.867 30.300 -0.821 0.000 0.902 556 R HN 0.477 nan 8.270 nan 0.000 0.449 557 H N -0.785 117.960 119.070 -0.542 0.000 3.017 557 H HA 0.313 4.870 4.556 0.001 0.000 0.255 557 H C 0.331 175.324 175.328 -0.558 0.000 0.990 557 H CA 0.037 55.721 56.048 -0.606 0.000 1.205 557 H CB 0.401 29.559 29.762 -1.005 0.000 1.460 557 H HN 0.068 nan 8.280 nan 0.000 0.478 558 A N 2.301 124.862 122.820 -0.431 0.000 2.540 558 A HA 0.027 4.347 4.320 0.001 0.000 0.239 558 A C 1.795 179.334 177.584 -0.075 0.000 1.061 558 A CA 0.124 51.952 52.037 -0.349 0.000 0.758 558 A CB 0.200 19.107 19.000 -0.156 0.000 0.991 558 A HN 0.612 nan 8.150 nan 0.000 0.502 559 R N 2.244 122.823 120.500 0.132 0.000 2.119 559 R HA -0.017 4.323 4.340 0.001 0.000 0.222 559 R C 0.449 176.806 176.300 0.095 0.000 1.088 559 R CA 0.972 57.151 56.100 0.131 0.000 0.984 559 R CB -0.028 30.391 30.300 0.198 0.000 0.884 559 R HN 0.655 nan 8.270 nan 0.000 0.447 560 N N 1.065 119.839 118.700 0.122 0.000 2.434 560 N HA -0.002 4.739 4.740 0.001 0.000 0.272 560 N C -0.540 175.035 175.510 0.109 0.000 1.040 560 N CA -0.180 52.940 53.050 0.117 0.000 0.956 560 N CB 1.532 40.112 38.487 0.155 0.000 1.108 560 N HN 0.055 nan 8.380 nan 0.000 0.481 561 D N 2.321 122.772 120.400 0.084 0.000 2.190 561 D HA -0.184 4.457 4.640 0.001 0.000 0.200 561 D C 1.355 177.718 176.300 0.104 0.000 0.992 561 D CA 0.980 55.017 54.000 0.061 0.000 0.854 561 D CB -0.169 40.652 40.800 0.035 0.000 0.936 561 D HN 0.616 nan 8.370 nan 0.000 0.462 562 F N 1.461 121.441 119.950 0.050 0.000 2.126 562 F HA -0.224 4.304 4.527 0.001 0.000 0.299 562 F C 2.328 178.233 175.800 0.174 0.000 1.096 562 F CA 1.290 59.351 58.000 0.102 0.000 1.255 562 F CB -0.143 38.901 39.000 0.073 0.000 0.997 562 F HN -0.166 nan 8.300 nan 0.000 0.479 563 S N 0.424 116.223 115.700 0.165 0.000 2.399 563 S HA -0.182 4.288 4.470 0.001 0.000 0.231 563 S C 1.909 176.449 174.600 -0.100 0.000 1.022 563 S CA 1.382 59.618 58.200 0.061 0.000 0.983 563 S CB -0.328 62.952 63.200 0.133 0.000 0.803 563 S HN 0.429 nan 8.310 nan 0.000 0.480 564 R N -0.431 120.022 120.500 -0.080 0.000 2.075 564 R HA -0.079 4.262 4.340 0.001 0.000 0.232 564 R C 2.121 178.333 176.300 -0.145 0.000 1.126 564 R CA 1.444 57.466 56.100 -0.130 0.000 0.963 564 R CB -0.350 29.887 30.300 -0.105 0.000 0.858 564 R HN 0.525 nan 8.270 nan 0.000 0.435 565 W N 2.446 123.566 121.300 -0.301 0.000 2.358 565 W HA -0.197 4.464 4.660 0.001 0.000 0.303 565 W C 1.685 177.981 176.519 -0.372 0.000 1.208 565 W CA 1.708 58.865 57.345 -0.313 0.000 1.274 565 W CB -0.316 28.945 29.460 -0.331 0.000 1.138 565 W HN 0.013 nan 8.180 nan 0.000 0.515 566 D N -0.003 120.109 120.400 -0.480 0.000 2.117 566 D HA -0.184 4.456 4.640 0.001 0.000 0.197 566 D C 2.276 178.262 176.300 -0.523 0.000 0.987 566 D CA 2.120 55.750 54.000 -0.616 0.000 0.829 566 D CB -0.629 39.922 40.800 -0.415 0.000 0.961 566 D HN 0.160 nan 8.370 nan 0.000 0.460 567 A N 0.561 123.123 122.820 -0.430 0.000 1.902 567 A HA -0.023 4.298 4.320 0.001 0.000 0.217 567 A C 2.368 179.705 177.584 -0.413 0.000 1.181 567 A CA 2.317 54.083 52.037 -0.453 0.000 0.623 567 A CB -0.962 17.814 19.000 -0.373 0.000 0.818 567 A HN 0.287 nan 8.150 nan 0.000 0.443 568 A N -1.095 121.476 122.820 -0.416 0.000 1.933 568 A HA -0.180 4.141 4.320 0.001 0.000 0.218 568 A C 2.093 179.491 177.584 -0.310 0.000 1.175 568 A CA 1.706 53.535 52.037 -0.348 0.000 0.628 568 A CB -0.413 18.369 19.000 -0.364 0.000 0.814 568 A HN 0.508 nan 8.150 nan 0.000 0.444 569 Q N 0.065 119.534 119.800 -0.551 0.000 2.079 569 Q HA -0.081 4.259 4.340 0.001 0.000 0.200 569 Q C 2.382 178.216 176.000 -0.277 0.000 0.974 569 Q CA 1.750 57.256 55.803 -0.495 0.000 0.840 569 Q CB -0.823 27.438 28.738 -0.795 0.000 0.898 569 Q HN 0.627 nan 8.270 nan 0.000 0.430 570 S N 1.274 116.801 115.700 -0.289 0.000 2.383 570 S HA -0.105 4.365 4.470 0.001 0.000 0.227 570 S C 1.912 176.442 174.600 -0.116 0.000 1.026 570 S CA 0.769 58.852 58.200 -0.195 0.000 0.981 570 S CB -0.243 62.745 63.200 -0.353 0.000 0.818 570 S HN 0.232 nan 8.310 nan 0.000 0.472 571 L N 1.777 122.933 121.223 -0.111 0.000 2.017 571 L HA 0.027 4.368 4.340 0.001 0.000 0.208 571 L C 1.948 178.910 176.870 0.153 0.000 1.073 571 L CA 1.622 56.490 54.840 0.047 0.000 0.745 571 L CB -0.549 41.539 42.059 0.049 0.000 0.894 571 L HN 0.266 nan 8.230 nan 0.000 0.432 572 L N -0.783 120.502 121.223 0.105 0.000 2.093 572 L HA -0.154 4.187 4.340 0.001 0.000 0.208 572 L C 2.683 179.584 176.870 0.053 0.000 1.085 572 L CA 1.000 55.916 54.840 0.126 0.000 0.755 572 L CB -0.907 41.188 42.059 0.060 0.000 0.904 572 L HN 0.383 nan 8.230 nan 0.000 0.435 573 A N -0.070 122.733 122.820 -0.028 0.000 1.892 573 A HA -0.259 4.062 4.320 0.001 0.000 0.218 573 A C 2.362 179.873 177.584 -0.121 0.000 1.188 573 A CA 2.574 54.566 52.037 -0.074 0.000 0.631 573 A CB -1.067 17.884 19.000 -0.082 0.000 0.822 573 A HN 0.403 nan 8.150 nan 0.000 0.447 574 T N -1.129 113.313 114.554 -0.187 0.000 2.699 574 T HA -0.212 4.139 4.350 0.001 0.000 0.268 574 T C 1.656 176.058 174.700 -0.496 0.000 1.036 574 T CA 2.089 63.949 62.100 -0.399 0.000 1.147 574 T CB -0.486 68.002 68.868 -0.633 0.000 0.862 574 T HN 0.653 nan 8.240 nan 0.000 0.446 575 Y N 0.120 120.429 120.300 0.014 0.000 2.420 575 Y HA 0.273 4.824 4.550 0.001 0.000 0.292 575 Y C 2.148 178.064 175.900 0.028 0.000 1.119 575 Y CA -0.058 58.051 58.100 0.014 0.000 1.229 575 Y CB -0.360 38.096 38.460 -0.007 0.000 1.026 575 Y HN 0.156 nan 8.280 nan 0.000 0.554 576 I N 0.269 120.904 120.570 0.108 0.000 2.179 576 I HA -0.301 3.870 4.170 0.001 0.000 0.242 576 I C 2.126 178.358 176.117 0.193 0.000 1.088 576 I CA 1.538 62.913 61.300 0.125 0.000 1.357 576 I CB -0.284 37.775 38.000 0.097 0.000 1.051 576 I HN 0.132 nan 8.210 nan 0.000 0.409 577 K N 0.343 120.795 120.400 0.087 0.000 2.026 577 K HA -0.205 4.115 4.320 0.001 0.000 0.208 577 K C 2.114 178.809 176.600 0.158 0.000 1.048 577 K CA 1.320 57.687 56.287 0.133 0.000 0.929 577 K CB -0.392 32.052 32.500 -0.093 0.000 0.713 577 K HN 0.116 nan 8.250 nan 0.000 0.439 578 L N 2.113 123.376 121.223 0.067 0.000 1.990 578 L HA -0.237 4.104 4.340 0.001 0.000 0.213 578 L C 1.576 178.518 176.870 0.119 0.000 1.072 578 L CA 1.853 56.744 54.840 0.085 0.000 0.755 578 L CB -0.477 41.643 42.059 0.101 0.000 0.889 578 L HN 0.204 nan 8.230 nan 0.000 0.432 579 N N -1.051 117.729 118.700 0.134 0.000 2.409 579 N HA -0.074 4.667 4.740 0.001 0.000 0.179 579 N C 1.826 177.405 175.510 0.115 0.000 1.032 579 N CA 1.291 54.411 53.050 0.117 0.000 0.898 579 N CB 0.014 38.563 38.487 0.102 0.000 0.971 579 N HN 0.287 nan 8.380 nan 0.000 0.441 580 V N 1.744 121.732 119.914 0.123 0.000 2.358 580 V HA -0.171 3.949 4.120 0.001 0.000 0.246 580 V C 2.485 178.618 176.094 0.066 0.000 1.047 580 V CA 1.742 64.066 62.300 0.040 0.000 1.035 580 V CB -0.771 30.996 31.823 -0.093 0.000 0.658 580 V HN 0.242 nan 8.190 nan 0.000 0.452 581 A N -0.039 122.842 122.820 0.103 0.000 1.908 581 A HA -0.250 4.071 4.320 0.001 0.000 0.218 581 A C 2.354 179.982 177.584 0.073 0.000 1.181 581 A CA 1.951 54.038 52.037 0.083 0.000 0.627 581 A CB -0.496 18.558 19.000 0.090 0.000 0.818 581 A HN 0.519 nan 8.150 nan 0.000 0.445 582 R N -1.655 118.894 120.500 0.081 0.000 2.081 582 R HA -0.140 4.201 4.340 0.001 0.000 0.235 582 R C 2.345 178.679 176.300 0.057 0.000 1.131 582 R CA 1.308 57.445 56.100 0.062 0.000 0.960 582 R CB -0.603 29.735 30.300 0.063 0.000 0.856 582 R HN 0.761 nan 8.270 nan 0.000 0.436 583 H N 1.448 120.517 119.070 -0.002 0.000 2.353 583 H HA -0.149 4.407 4.556 0.001 0.000 0.298 583 H C 1.614 176.931 175.328 -0.020 0.000 1.103 583 H CA 1.847 57.886 56.048 -0.016 0.000 1.293 583 H CB 0.221 29.965 29.762 -0.030 0.000 1.372 583 H HN 0.308 nan 8.280 nan 0.000 0.501 584 Q N -0.403 119.462 119.800 0.109 0.000 2.291 584 Q HA -0.098 4.242 4.340 0.001 0.000 0.205 584 Q C 1.382 177.376 176.000 -0.011 0.000 0.970 584 Q CA 0.809 56.646 55.803 0.057 0.000 0.876 584 Q CB 0.280 29.049 28.738 0.052 0.000 0.935 584 Q HN 0.407 nan 8.270 nan 0.000 0.455 585 Q N -1.047 118.742 119.800 -0.020 0.000 2.220 585 Q HA 0.171 4.511 4.340 0.001 0.000 0.205 585 Q C 0.601 176.567 176.000 -0.057 0.000 0.865 585 Q CA 0.511 56.298 55.803 -0.028 0.000 0.960 585 Q CB 1.156 29.891 28.738 -0.005 0.000 1.097 585 Q HN 0.454 nan 8.270 nan 0.000 0.493 586 G N 1.345 110.076 108.800 -0.115 0.000 2.160 586 G HA2 -0.296 3.664 3.960 0.001 0.000 0.251 586 G HA3 -0.296 3.664 3.960 0.001 0.000 0.251 586 G C -0.119 174.723 174.900 -0.097 0.000 1.008 586 G CA 0.185 45.202 45.100 -0.140 0.000 0.724 586 G HN 0.355 nan 8.290 nan 0.000 0.514 587 Q N 0.367 120.124 119.800 -0.070 0.000 2.274 587 Q HA 0.592 4.932 4.340 0.001 0.000 0.260 587 Q C -2.023 173.967 176.000 -0.017 0.000 0.974 587 Q CA -1.908 53.876 55.803 -0.031 0.000 0.876 587 Q CB 2.416 31.150 28.738 -0.007 0.000 1.297 587 Q HN 0.296 nan 8.270 nan 0.000 0.446 588 P HA 0.064 nan 4.420 nan 0.000 0.276 588 P C -0.700 176.610 177.300 0.017 0.000 1.261 588 P CA -0.650 62.452 63.100 0.004 0.000 0.800 588 P CB 0.729 32.427 31.700 -0.004 0.000 1.066 589 L N 0.729 121.962 121.223 0.017 0.000 2.559 589 L HA 0.096 4.436 4.340 0.001 0.000 0.282 589 L C 0.475 177.348 176.870 0.005 0.000 1.232 589 L CA 1.178 56.028 54.840 0.016 0.000 0.885 589 L CB 0.059 42.116 42.059 -0.003 0.000 1.131 589 L HN 0.407 nan 8.230 nan 0.000 0.498 590 S N 4.986 120.696 115.700 0.017 0.000 2.561 590 S HA 0.749 5.219 4.470 0.001 0.000 0.303 590 S C -1.262 173.324 174.600 -0.024 0.000 1.110 590 S CA -0.698 57.503 58.200 0.002 0.000 1.034 590 S CB 1.031 64.249 63.200 0.030 0.000 1.010 590 S HN 0.569 nan 8.310 nan 0.000 0.482 591 L N 6.040 127.199 121.223 -0.108 0.000 2.470 591 L HA 0.678 5.019 4.340 0.001 0.000 0.268 591 L C -2.543 174.139 176.870 -0.314 0.000 0.964 591 L CA -1.298 53.385 54.840 -0.263 0.000 0.839 591 L CB 1.821 43.737 42.059 -0.239 0.000 1.276 591 L HN 0.502 nan 8.230 nan 0.000 0.403 592 P HA 0.175 nan 4.420 nan 0.000 0.269 592 P C 0.996 178.041 177.300 -0.426 0.000 1.209 592 P CA -0.456 62.380 63.100 -0.440 0.000 0.776 592 P CB 0.840 32.130 31.700 -0.684 0.000 0.876 593 V N 1.952 121.726 119.914 -0.232 0.000 2.324 593 V HA -0.293 3.827 4.120 0.001 0.000 0.250 593 V C 2.317 178.335 176.094 -0.127 0.000 1.060 593 V CA 2.319 64.540 62.300 -0.132 0.000 1.042 593 V CB -1.609 30.192 31.823 -0.036 0.000 0.650 593 V HN 0.775 nan 8.190 nan 0.000 0.450 594 H N -0.915 118.121 119.070 -0.057 0.000 2.518 594 H HA -0.042 4.515 4.556 0.001 0.000 0.289 594 H C 2.096 177.400 175.328 -0.040 0.000 1.051 594 H CA 1.599 57.624 56.048 -0.039 0.000 1.280 594 H CB -0.530 29.222 29.762 -0.018 0.000 1.380 594 H HN 0.377 nan 8.280 nan 0.000 0.566 595 V N 1.839 121.574 119.914 -0.299 0.000 2.283 595 V HA -0.153 3.968 4.120 0.001 0.000 0.243 595 V C 3.192 179.324 176.094 0.063 0.000 1.039 595 V CA 1.556 63.783 62.300 -0.122 0.000 1.016 595 V CB -1.067 30.565 31.823 -0.319 0.000 0.650 595 V HN 0.610 nan 8.190 nan 0.000 0.449 596 A N -0.045 122.753 122.820 -0.037 0.000 1.978 596 A HA -0.281 4.039 4.320 0.001 0.000 0.220 596 A C 1.934 179.547 177.584 0.048 0.000 1.170 596 A CA 2.106 54.146 52.037 0.005 0.000 0.636 596 A CB -0.681 18.271 19.000 -0.079 0.000 0.810 596 A HN 0.547 nan 8.150 nan 0.000 0.448 597 D N 0.059 120.468 120.400 0.015 0.000 2.123 597 D HA -0.085 4.556 4.640 0.001 0.000 0.196 597 D C 2.225 178.519 176.300 -0.010 0.000 0.992 597 D CA 1.549 55.554 54.000 0.008 0.000 0.833 597 D CB -0.397 40.415 40.800 0.020 0.000 0.954 597 D HN 0.445 nan 8.370 nan 0.000 0.455 598 A N -0.106 122.703 122.820 -0.018 0.000 1.930 598 A HA -0.131 4.189 4.320 0.001 0.000 0.217 598 A C 2.020 179.432 177.584 -0.287 0.000 1.175 598 A CA 0.933 52.869 52.037 -0.168 0.000 0.627 598 A CB -0.898 17.959 19.000 -0.239 0.000 0.815 598 A HN 0.182 nan 8.150 nan 0.000 0.443 599 F N -0.622 119.270 119.950 -0.098 0.000 2.259 599 F HA 0.015 4.543 4.527 0.001 0.000 0.298 599 F C 2.393 178.126 175.800 -0.112 0.000 1.088 599 F CA 1.280 59.213 58.000 -0.112 0.000 1.358 599 F CB -0.193 38.718 39.000 -0.149 0.000 1.040 599 F HN 0.130 nan 8.300 nan 0.000 0.505 600 R N 0.661 121.187 120.500 0.044 0.000 2.081 600 R HA -0.164 4.177 4.340 0.001 0.000 0.235 600 R C 2.354 178.634 176.300 -0.034 0.000 1.131 600 R CA 1.321 57.416 56.100 -0.008 0.000 0.960 600 R CB -0.472 29.818 30.300 -0.017 0.000 0.856 600 R HN 0.271 nan 8.270 nan 0.000 0.436 601 A N 0.153 122.936 122.820 -0.063 0.000 1.933 601 A HA -0.099 4.222 4.320 0.001 0.000 0.218 601 A C 2.243 179.768 177.584 -0.097 0.000 1.175 601 A CA 1.444 53.429 52.037 -0.086 0.000 0.628 601 A CB -0.455 18.477 19.000 -0.114 0.000 0.814 601 A HN 0.223 nan 8.150 nan 0.000 0.444 602 V N 0.033 119.877 119.914 -0.116 0.000 2.295 602 V HA -0.271 3.850 4.120 0.001 0.000 0.246 602 V C 2.560 178.630 176.094 -0.040 0.000 1.049 602 V CA 2.003 64.245 62.300 -0.098 0.000 1.024 602 V CB -0.744 31.008 31.823 -0.119 0.000 0.648 602 V HN 0.584 nan 8.190 nan 0.000 0.447 603 L N -0.803 120.411 121.223 -0.014 0.000 2.079 603 L HA -0.174 4.167 4.340 0.001 0.000 0.210 603 L C 2.124 178.991 176.870 -0.006 0.000 1.081 603 L CA 1.552 56.395 54.840 0.005 0.000 0.752 603 L CB -0.300 41.763 42.059 0.007 0.000 0.896 603 L HN 0.317 nan 8.230 nan 0.000 0.433 604 L N -1.408 119.802 121.223 -0.021 0.000 2.592 604 L HA 0.070 4.411 4.340 0.001 0.000 0.227 604 L C 0.456 177.307 176.870 -0.032 0.000 1.127 604 L CA -0.293 54.533 54.840 -0.022 0.000 0.884 604 L CB -0.161 41.884 42.059 -0.024 0.000 1.065 604 L HN 0.103 nan 8.230 nan 0.000 0.457 605 D N 1.317 121.691 120.400 -0.044 0.000 2.358 605 D HA -0.022 4.619 4.640 0.001 0.000 0.258 605 D C 0.931 177.206 176.300 -0.041 0.000 1.223 605 D CA 0.315 54.282 54.000 -0.055 0.000 0.886 605 D CB 1.080 41.832 40.800 -0.080 0.000 1.120 605 D HN 0.214 nan 8.370 nan 0.000 0.482 606 E N 2.506 122.684 120.200 -0.037 0.000 2.208 606 E HA -0.108 4.243 4.350 0.001 0.000 0.193 606 E C 1.197 177.779 176.600 -0.031 0.000 0.988 606 E CA 0.672 57.056 56.400 -0.028 0.000 0.828 606 E CB 0.366 30.052 29.700 -0.023 0.000 0.763 606 E HN 0.469 nan 8.360 nan 0.000 0.478 607 K N 0.532 120.908 120.400 -0.040 0.000 2.365 607 K HA 0.096 4.417 4.320 0.001 0.000 0.197 607 K C 0.972 177.546 176.600 -0.042 0.000 1.042 607 K CA 0.013 56.276 56.287 -0.041 0.000 0.987 607 K CB 0.322 32.793 32.500 -0.048 0.000 0.779 607 K HN 0.085 nan 8.250 nan 0.000 0.484 608 I N 2.175 122.717 120.570 -0.047 0.000 2.529 608 I HA -0.052 4.119 4.170 0.001 0.000 0.284 608 I C -0.009 176.090 176.117 -0.029 0.000 1.082 608 I CA -0.331 60.942 61.300 -0.045 0.000 1.406 608 I CB 0.575 38.543 38.000 -0.053 0.000 1.405 608 I HN 0.026 nan 8.210 nan 0.000 0.548 609 D N 9.978 130.362 120.400 -0.026 0.000 2.450 609 D HA 0.034 4.674 4.640 0.001 0.000 0.247 609 D C -1.563 174.730 176.300 -0.013 0.000 1.162 609 D CA -1.787 52.202 54.000 -0.019 0.000 0.879 609 D CB 1.284 42.072 40.800 -0.019 0.000 1.163 609 D HN 0.288 nan 8.370 nan 0.000 0.472 610 P HA -0.199 nan 4.420 nan 0.000 0.216 610 P C 1.016 178.318 177.300 0.004 0.000 1.150 610 P CA 1.576 64.676 63.100 -0.001 0.000 0.843 610 P CB 0.034 31.730 31.700 -0.007 0.000 0.787 611 A N -0.237 122.579 122.820 -0.007 0.000 1.892 611 A HA -0.206 4.115 4.320 0.001 0.000 0.218 611 A C 2.220 179.797 177.584 -0.011 0.000 1.188 611 A CA 1.940 53.970 52.037 -0.012 0.000 0.631 611 A CB -1.613 17.374 19.000 -0.023 0.000 0.822 611 A HN 0.220 nan 8.150 nan 0.000 0.447 612 L N -0.507 120.711 121.223 -0.008 0.000 2.044 612 L HA 0.080 4.420 4.340 0.001 0.000 0.205 612 L C 2.667 179.562 176.870 0.041 0.000 1.075 612 L CA 2.172 57.014 54.840 0.004 0.000 0.747 612 L CB -0.980 41.078 42.059 -0.001 0.000 0.903 612 L HN 0.330 nan 8.230 nan 0.000 0.435 613 A N 0.002 122.841 122.820 0.031 0.000 1.892 613 A HA -0.236 4.084 4.320 0.001 0.000 0.218 613 A C 2.485 180.128 177.584 0.099 0.000 1.188 613 A CA 2.363 54.433 52.037 0.053 0.000 0.631 613 A CB -1.396 17.625 19.000 0.035 0.000 0.822 613 A HN 0.636 nan 8.150 nan 0.000 0.447 614 A N -0.661 122.208 122.820 0.082 0.000 1.908 614 A HA -0.175 4.146 4.320 0.001 0.000 0.218 614 A C 1.942 179.602 177.584 0.126 0.000 1.181 614 A CA 1.857 53.953 52.037 0.100 0.000 0.627 614 A CB -0.403 18.633 19.000 0.060 0.000 0.818 614 A HN 0.502 nan 8.150 nan 0.000 0.445 615 E N -0.073 120.190 120.200 0.105 0.000 2.107 615 E HA -0.064 4.286 4.350 0.001 0.000 0.191 615 E C 1.979 178.805 176.600 0.377 0.000 0.982 615 E CA 0.821 57.304 56.400 0.138 0.000 0.809 615 E CB -0.462 29.181 29.700 -0.094 0.000 0.756 615 E HN 0.734 nan 8.360 nan 0.000 0.459 616 I N 0.816 121.608 120.570 0.369 0.000 2.264 616 I HA -0.240 3.931 4.170 0.001 0.000 0.248 616 I C 1.970 178.323 176.117 0.392 0.000 1.111 616 I CA 0.947 62.457 61.300 0.350 0.000 1.382 616 I CB -0.164 37.929 38.000 0.156 0.000 1.060 616 I HN 0.006 nan 8.210 nan 0.000 0.418 617 L N 0.060 121.485 121.223 0.338 0.000 2.612 617 L HA 0.052 4.392 4.340 0.001 0.000 0.230 617 L C 0.254 177.342 176.870 0.364 0.000 1.140 617 L CA 0.214 55.290 54.840 0.393 0.000 0.896 617 L CB -0.378 41.897 42.059 0.360 0.000 1.065 617 L HN 0.067 nan 8.230 nan 0.000 0.447 618 T N 1.466 116.180 114.554 0.267 0.000 2.770 618 T HA 0.402 4.752 4.350 0.001 0.000 0.297 618 T C 0.212 175.011 174.700 0.165 0.000 0.997 618 T CA -0.404 61.796 62.100 0.165 0.000 0.949 618 T CB 0.879 69.830 68.868 0.138 0.000 0.941 618 T HN -0.005 nan 8.240 nan 0.000 0.457 619 L N 5.212 126.486 121.223 0.084 0.000 2.467 619 L HA 0.267 4.607 4.340 0.001 0.000 0.270 619 L C -1.608 175.299 176.870 0.061 0.000 1.205 619 L CA -1.967 52.907 54.840 0.057 0.000 0.828 619 L CB -0.095 41.962 42.059 -0.003 0.000 1.101 619 L HN 0.318 nan 8.230 nan 0.000 0.479 620 P HA -0.006 nan 4.420 nan 0.000 0.265 620 P C -0.385 176.941 177.300 0.042 0.000 1.187 620 P CA -0.246 62.892 63.100 0.063 0.000 0.766 620 P CB 0.456 32.177 31.700 0.036 0.000 0.820 621 S N 1.125 116.853 115.700 0.047 0.000 2.596 621 S HA 0.051 4.522 4.470 0.001 0.000 0.260 621 S C 1.562 176.183 174.600 0.036 0.000 1.336 621 S CA -0.072 58.146 58.200 0.030 0.000 0.993 621 S CB 0.043 63.261 63.200 0.030 0.000 0.923 621 S HN 0.388 nan 8.310 nan 0.000 0.567 622 V N -0.468 119.462 119.914 0.028 0.000 2.490 622 V HA -0.149 3.972 4.120 0.001 0.000 0.250 622 V C 2.008 178.142 176.094 0.065 0.000 1.061 622 V CA 1.825 64.149 62.300 0.039 0.000 1.064 622 V CB -1.286 30.552 31.823 0.024 0.000 0.670 622 V HN 0.811 nan 8.190 nan 0.000 0.461 623 N N 0.791 119.527 118.700 0.061 0.000 2.216 623 N HA -0.122 4.618 4.740 0.001 0.000 0.183 623 N C 1.904 177.460 175.510 0.077 0.000 1.017 623 N CA 1.830 54.925 53.050 0.075 0.000 0.861 623 N CB -0.201 38.323 38.487 0.062 0.000 0.986 623 N HN 0.689 nan 8.380 nan 0.000 0.428 624 E N 0.676 120.913 120.200 0.061 0.000 2.077 624 E HA -0.101 4.249 4.350 0.001 0.000 0.193 624 E C 1.976 178.620 176.600 0.074 0.000 0.989 624 E CA 0.952 57.386 56.400 0.056 0.000 0.800 624 E CB -0.077 29.654 29.700 0.050 0.000 0.746 624 E HN 0.338 nan 8.360 nan 0.000 0.452 625 M N 0.337 119.993 119.600 0.093 0.000 2.159 625 M HA -0.127 4.353 4.480 0.001 0.000 0.263 625 M C 2.488 178.944 176.300 0.260 0.000 1.063 625 M CA 1.244 56.634 55.300 0.150 0.000 1.110 625 M CB -0.213 32.482 32.600 0.158 0.000 1.374 625 M HN 0.118 nan 8.290 nan 0.000 0.411 626 A N 0.137 123.085 122.820 0.213 0.000 1.978 626 A HA -0.224 4.097 4.320 0.001 0.000 0.220 626 A C 1.923 179.646 177.584 0.231 0.000 1.170 626 A CA 2.104 54.283 52.037 0.237 0.000 0.636 626 A CB -0.672 18.405 19.000 0.128 0.000 0.810 626 A HN 0.476 nan 8.150 nan 0.000 0.448 627 E N -0.018 120.271 120.200 0.149 0.000 2.418 627 E HA -0.009 4.342 4.350 0.001 0.000 0.197 627 E C 1.432 178.060 176.600 0.046 0.000 1.026 627 E CA 0.483 56.956 56.400 0.122 0.000 0.862 627 E CB -0.437 29.351 29.700 0.146 0.000 0.799 627 E HN 0.648 nan 8.360 nan 0.000 0.518 628 L N -0.245 120.931 121.223 -0.078 0.000 2.554 628 L HA 0.144 4.485 4.340 0.001 0.000 0.226 628 L C -0.169 176.340 176.870 -0.602 0.000 1.137 628 L CA -0.014 54.587 54.840 -0.398 0.000 0.863 628 L CB -0.020 41.634 42.059 -0.674 0.000 0.985 628 L HN 0.024 nan 8.230 nan 0.000 0.451 629 F N -1.319 118.632 119.950 0.002 0.000 2.532 629 F HA 0.268 4.796 4.527 0.001 0.000 0.321 629 F C 1.033 176.812 175.800 -0.036 0.000 1.089 629 F CA -0.958 57.028 58.000 -0.023 0.000 0.926 629 F CB 1.104 40.075 39.000 -0.047 0.000 1.168 629 F HN -0.234 nan 8.300 nan 0.000 0.459 630 D N 1.056 121.545 120.400 0.148 0.000 2.103 630 D HA 0.007 4.647 4.640 0.001 0.000 0.199 630 D C 0.553 176.864 176.300 0.019 0.000 0.978 630 D CA 1.670 55.708 54.000 0.064 0.000 0.829 630 D CB 0.367 41.196 40.800 0.047 0.000 0.981 630 D HN 0.034 nan 8.370 nan 0.000 0.464 631 I N 1.772 122.353 120.570 0.018 0.000 2.362 631 I HA 0.263 4.434 4.170 0.001 0.000 0.289 631 I C 0.203 176.228 176.117 -0.154 0.000 0.994 631 I CA -0.741 60.507 61.300 -0.086 0.000 1.158 631 I CB 1.510 39.476 38.000 -0.056 0.000 1.315 631 I HN -0.194 nan 8.210 nan 0.000 0.451 632 I N 5.271 125.631 120.570 -0.351 0.000 2.416 632 I HA 0.090 4.260 4.170 0.001 0.000 0.288 632 I C 0.316 176.241 176.117 -0.321 0.000 1.051 632 I CA 0.002 61.063 61.300 -0.400 0.000 1.375 632 I CB 0.614 38.239 38.000 -0.626 0.000 1.407 632 I HN 0.444 nan 8.210 nan 0.000 0.516 633 D N 9.661 129.881 120.400 -0.300 0.000 2.473 633 D HA 0.226 4.866 4.640 0.001 0.000 0.226 633 D C -1.653 174.551 176.300 -0.160 0.000 1.089 633 D CA -2.311 51.577 54.000 -0.188 0.000 0.883 633 D CB 1.490 42.158 40.800 -0.220 0.000 1.029 633 D HN 0.227 nan 8.370 nan 0.000 0.517 634 P HA -0.013 nan 4.420 nan 0.000 0.225 634 P C 1.723 178.995 177.300 -0.046 0.000 1.156 634 P CA 0.383 63.490 63.100 0.011 0.000 0.787 634 P CB 0.775 32.572 31.700 0.162 0.000 0.802 635 I N 0.162 120.696 120.570 -0.062 0.000 2.233 635 I HA -0.150 4.020 4.170 0.001 0.000 0.243 635 I C 2.613 178.564 176.117 -0.275 0.000 1.093 635 I CA 1.209 62.453 61.300 -0.093 0.000 1.380 635 I CB -0.915 37.073 38.000 -0.020 0.000 1.067 635 I HN -0.103 nan 8.210 nan 0.000 0.413 636 A N 1.363 123.944 122.820 -0.398 0.000 1.883 636 A HA -0.210 4.110 4.320 0.001 0.000 0.217 636 A C 2.311 179.603 177.584 -0.486 0.000 1.186 636 A CA 1.668 53.237 52.037 -0.780 0.000 0.624 636 A CB -0.922 17.814 19.000 -0.441 0.000 0.822 636 A HN 0.371 nan 8.150 nan 0.000 0.444 637 I N -0.372 120.014 120.570 -0.307 0.000 2.163 637 I HA -0.316 3.854 4.170 0.001 0.000 0.243 637 I C 2.999 179.037 176.117 -0.131 0.000 1.085 637 I CA 1.192 62.383 61.300 -0.181 0.000 1.347 637 I CB -0.357 37.571 38.000 -0.119 0.000 1.044 637 I HN 0.378 nan 8.210 nan 0.000 0.408 638 A N 0.291 123.036 122.820 -0.125 0.000 1.902 638 A HA -0.219 4.101 4.320 0.001 0.000 0.217 638 A C 2.209 179.731 177.584 -0.103 0.000 1.181 638 A CA 1.708 53.693 52.037 -0.087 0.000 0.623 638 A CB -0.556 18.407 19.000 -0.062 0.000 0.818 638 A HN 0.468 nan 8.150 nan 0.000 0.443 639 E N -0.466 119.641 120.200 -0.155 0.000 2.107 639 E HA -0.070 4.280 4.350 0.001 0.000 0.191 639 E C 1.950 178.499 176.600 -0.086 0.000 0.982 639 E CA 1.015 57.352 56.400 -0.104 0.000 0.809 639 E CB -0.193 29.465 29.700 -0.070 0.000 0.756 639 E HN 0.397 nan 8.360 nan 0.000 0.459 640 V N 1.399 121.238 119.914 -0.125 0.000 2.427 640 V HA -0.240 3.880 4.120 0.001 0.000 0.248 640 V C 2.440 178.496 176.094 -0.064 0.000 1.051 640 V CA 1.710 63.973 62.300 -0.061 0.000 1.048 640 V CB -0.456 31.340 31.823 -0.045 0.000 0.666 640 V HN 0.189 nan 8.190 nan 0.000 0.456 641 R N 0.019 120.474 120.500 -0.076 0.000 2.081 641 R HA -0.233 4.107 4.340 0.001 0.000 0.235 641 R C 2.388 178.600 176.300 -0.146 0.000 1.131 641 R CA 2.153 58.203 56.100 -0.084 0.000 0.960 641 R CB -0.231 30.030 30.300 -0.066 0.000 0.856 641 R HN 0.672 nan 8.270 nan 0.000 0.436 642 E N -0.371 119.731 120.200 -0.164 0.000 2.072 642 E HA -0.174 4.177 4.350 0.001 0.000 0.191 642 E C 1.762 178.182 176.600 -0.300 0.000 0.985 642 E CA 1.100 57.327 56.400 -0.287 0.000 0.801 642 E CB -0.088 29.498 29.700 -0.189 0.000 0.750 642 E HN 0.467 nan 8.360 nan 0.000 0.452 643 A N 1.032 123.757 122.820 -0.158 0.000 1.933 643 A HA -0.163 4.158 4.320 0.001 0.000 0.218 643 A C 2.116 179.629 177.584 -0.119 0.000 1.175 643 A CA 1.203 53.172 52.037 -0.113 0.000 0.628 643 A CB -0.611 18.365 19.000 -0.041 0.000 0.814 643 A HN 0.383 nan 8.150 nan 0.000 0.444 644 L N -0.148 121.010 121.223 -0.109 0.000 2.046 644 L HA -0.102 4.238 4.340 0.001 0.000 0.208 644 L C 2.458 179.276 176.870 -0.087 0.000 1.077 644 L CA 2.761 57.544 54.840 -0.094 0.000 0.747 644 L CB -1.123 40.891 42.059 -0.075 0.000 0.896 644 L HN 0.380 nan 8.230 nan 0.000 0.432 645 T N -0.420 114.053 114.554 -0.135 0.000 2.684 645 T HA -0.199 4.151 4.350 0.001 0.000 0.267 645 T C 2.009 176.657 174.700 -0.087 0.000 1.036 645 T CA 1.734 63.777 62.100 -0.096 0.000 1.148 645 T CB -0.211 68.389 68.868 -0.447 0.000 0.863 645 T HN 0.350 nan 8.240 nan 0.000 0.436 646 R N 0.449 120.783 120.500 -0.277 0.000 2.081 646 R HA -0.059 4.282 4.340 0.001 0.000 0.235 646 R C 2.803 179.080 176.300 -0.038 0.000 1.131 646 R CA 1.628 57.649 56.100 -0.131 0.000 0.960 646 R CB -0.682 29.540 30.300 -0.131 0.000 0.856 646 R HN 0.312 nan 8.270 nan 0.000 0.436 647 T N 1.548 116.061 114.554 -0.068 0.000 2.746 647 T HA -0.079 4.271 4.350 0.001 0.000 0.267 647 T C 1.863 176.508 174.700 -0.091 0.000 1.039 647 T CA 1.058 63.117 62.100 -0.070 0.000 1.142 647 T CB -0.108 68.710 68.868 -0.083 0.000 0.866 647 T HN 0.124 nan 8.240 nan 0.000 0.444 648 L N 0.667 121.816 121.223 -0.123 0.000 2.093 648 L HA -0.006 4.335 4.340 0.001 0.000 0.208 648 L C 3.034 179.776 176.870 -0.213 0.000 1.085 648 L CA 0.935 55.628 54.840 -0.246 0.000 0.755 648 L CB -0.662 41.122 42.059 -0.459 0.000 0.904 648 L HN 0.227 nan 8.230 nan 0.000 0.435 649 A N -0.164 122.640 122.820 -0.027 0.000 1.908 649 A HA -0.218 4.103 4.320 0.001 0.000 0.218 649 A C 2.377 179.971 177.584 0.016 0.000 1.181 649 A CA 2.506 54.588 52.037 0.075 0.000 0.627 649 A CB -0.899 18.238 19.000 0.227 0.000 0.818 649 A HN 0.385 nan 8.150 nan 0.000 0.445 650 T N -0.213 114.342 114.554 0.002 0.000 2.770 650 T HA -0.074 4.276 4.350 0.001 0.000 0.263 650 T C 1.778 176.460 174.700 -0.030 0.000 1.039 650 T CA 1.353 63.450 62.100 -0.005 0.000 1.142 650 T CB -0.218 68.648 68.868 -0.004 0.000 0.868 650 T HN 0.453 nan 8.240 nan 0.000 0.435 651 E N 1.131 121.297 120.200 -0.057 0.000 2.204 651 E HA 0.045 4.395 4.350 0.001 0.000 0.194 651 E C 1.515 178.075 176.600 -0.067 0.000 0.989 651 E CA 0.708 57.070 56.400 -0.064 0.000 0.824 651 E CB -0.099 29.552 29.700 -0.082 0.000 0.756 651 E HN 0.486 nan 8.360 nan 0.000 0.477 652 L N -0.456 120.714 121.223 -0.088 0.000 3.014 652 L HA 0.351 4.692 4.340 0.001 0.000 0.263 652 L C 1.841 178.679 176.870 -0.053 0.000 1.207 652 L CA -0.088 54.700 54.840 -0.087 0.000 1.017 652 L CB 0.169 42.135 42.059 -0.155 0.000 1.360 652 L HN -0.089 nan 8.230 nan 0.000 0.560 653 A N 0.739 123.541 122.820 -0.030 0.000 1.903 653 A HA -0.262 4.058 4.320 0.001 0.000 0.219 653 A C 1.871 179.455 177.584 -0.000 0.000 1.191 653 A CA 2.383 54.417 52.037 -0.006 0.000 0.638 653 A CB -0.288 18.713 19.000 0.001 0.000 0.823 653 A HN 0.377 nan 8.150 nan 0.000 0.451 654 D N -0.681 119.718 120.400 -0.003 0.000 2.103 654 D HA -0.069 4.572 4.640 0.001 0.000 0.199 654 D C 1.985 178.293 176.300 0.014 0.000 0.978 654 D CA 1.553 55.557 54.000 0.006 0.000 0.829 654 D CB -0.436 40.365 40.800 0.002 0.000 0.981 654 D HN 0.568 nan 8.370 nan 0.000 0.464 655 E N 0.553 120.756 120.200 0.004 0.000 2.077 655 E HA -0.075 4.275 4.350 0.001 0.000 0.193 655 E C 2.322 178.941 176.600 0.031 0.000 0.989 655 E CA 0.369 56.775 56.400 0.010 0.000 0.800 655 E CB -0.286 29.410 29.700 -0.007 0.000 0.746 655 E HN 0.232 nan 8.360 nan 0.000 0.452 656 L N 0.025 121.264 121.223 0.025 0.000 2.046 656 L HA -0.177 4.163 4.340 0.001 0.000 0.208 656 L C 2.300 179.236 176.870 0.110 0.000 1.077 656 L CA 0.646 55.525 54.840 0.066 0.000 0.747 656 L CB -0.362 41.730 42.059 0.055 0.000 0.896 656 L HN 0.197 nan 8.230 nan 0.000 0.432 657 L N -0.146 121.123 121.223 0.075 0.000 2.093 657 L HA -0.078 4.262 4.340 0.001 0.000 0.208 657 L C 2.597 179.555 176.870 0.147 0.000 1.085 657 L CA 1.852 56.751 54.840 0.098 0.000 0.755 657 L CB -0.684 41.399 42.059 0.040 0.000 0.904 657 L HN 0.135 nan 8.230 nan 0.000 0.435 658 A N -0.250 122.627 122.820 0.095 0.000 1.877 658 A HA -0.169 4.151 4.320 0.001 0.000 0.216 658 A C 2.107 179.748 177.584 0.094 0.000 1.186 658 A CA 1.978 54.063 52.037 0.079 0.000 0.620 658 A CB -0.707 18.321 19.000 0.047 0.000 0.822 658 A HN 0.403 nan 8.150 nan 0.000 0.443 659 I N -1.705 118.927 120.570 0.104 0.000 2.353 659 I HA -0.154 4.016 4.170 0.001 0.000 0.248 659 I C 2.312 178.510 176.117 0.133 0.000 1.119 659 I CA 1.037 62.397 61.300 0.099 0.000 1.417 659 I CB -1.637 36.416 38.000 0.089 0.000 1.078 659 I HN 0.558 nan 8.210 nan 0.000 0.421 660 Y N 2.839 123.176 120.300 0.060 0.000 2.081 660 Y HA -0.309 4.242 4.550 0.001 0.000 0.280 660 Y C 2.435 178.382 175.900 0.079 0.000 1.163 660 Y CA 2.051 60.194 58.100 0.072 0.000 1.135 660 Y CB -0.302 38.200 38.460 0.070 0.000 0.970 660 Y HN 0.203 nan 8.280 nan 0.000 0.498 661 N N 0.365 119.152 118.700 0.145 0.000 2.188 661 N HA -0.136 4.605 4.740 0.001 0.000 0.184 661 N C 1.954 177.479 175.510 0.024 0.000 1.018 661 N CA 1.357 54.434 53.050 0.046 0.000 0.858 661 N CB -0.767 37.779 38.487 0.097 0.000 0.989 661 N HN 0.531 nan 8.380 nan 0.000 0.426 662 A N 0.992 123.835 122.820 0.037 0.000 2.019 662 A HA -0.057 4.263 4.320 0.001 0.000 0.219 662 A C 1.682 179.277 177.584 0.019 0.000 1.164 662 A CA 1.104 53.159 52.037 0.031 0.000 0.644 662 A CB -0.232 18.785 19.000 0.029 0.000 0.805 662 A HN 0.269 nan 8.150 nan 0.000 0.449 663 N N -1.379 117.315 118.700 -0.009 0.000 2.268 663 N HA 0.053 4.793 4.740 0.001 0.000 0.204 663 N C -0.327 175.143 175.510 -0.066 0.000 1.124 663 N CA -0.187 52.840 53.050 -0.038 0.000 0.838 663 N CB 0.106 38.570 38.487 -0.039 0.000 0.994 663 N HN 0.589 nan 8.380 nan 0.000 0.489 664 Y N 2.656 122.855 120.300 -0.168 0.000 2.712 664 Y HA -0.073 4.477 4.550 0.001 0.000 0.333 664 Y C -0.153 175.689 175.900 -0.097 0.000 1.225 664 Y CA 0.543 58.546 58.100 -0.162 0.000 1.499 664 Y CB 0.366 38.740 38.460 -0.142 0.000 1.288 664 Y HN 0.005 nan 8.280 nan 0.000 0.575 665 Q N 4.219 123.475 119.800 -0.906 0.000 2.290 665 Q HA 0.212 4.553 4.340 0.001 0.000 0.269 665 Q C 0.504 175.976 176.000 -0.880 0.000 1.016 665 Q CA -0.145 55.238 55.803 -0.700 0.000 0.754 665 Q CB 1.857 30.386 28.738 -0.349 0.000 1.247 665 Q HN 0.903 nan 8.270 nan 0.000 0.451 666 S N 1.193 116.470 115.700 -0.704 0.000 2.387 666 S HA -0.020 4.450 4.470 0.001 0.000 0.226 666 S C 0.622 175.120 174.600 -0.168 0.000 1.026 666 S CA 0.562 58.557 58.200 -0.341 0.000 0.972 666 S CB 0.172 63.342 63.200 -0.051 0.000 0.814 666 S HN 0.477 nan 8.310 nan 0.000 0.477 667 E N 1.187 121.293 120.200 -0.157 0.000 2.313 667 E HA 0.229 4.579 4.350 0.001 0.000 0.276 667 E C -1.398 175.143 176.600 -0.098 0.000 1.031 667 E CA -0.307 56.033 56.400 -0.101 0.000 0.857 667 E CB 0.805 30.439 29.700 -0.110 0.000 1.040 667 E HN 0.544 nan 8.360 nan 0.000 0.408 668 Y N 3.450 123.654 120.300 -0.160 0.000 2.341 668 Y HA 0.276 4.826 4.550 0.001 0.000 0.340 668 Y C -0.399 175.380 175.900 -0.203 0.000 0.997 668 Y CA -0.388 57.603 58.100 -0.182 0.000 1.149 668 Y CB 0.642 39.004 38.460 -0.163 0.000 1.171 668 Y HN 0.302 nan 8.280 nan 0.000 0.494 669 R N 4.558 124.483 120.500 -0.959 0.000 2.628 669 R HA 0.478 4.818 4.340 0.001 0.000 0.288 669 R C -1.392 174.293 176.300 -1.025 0.000 0.980 669 R CA -1.167 54.461 56.100 -0.787 0.000 0.891 669 R CB 2.074 32.102 30.300 -0.453 0.000 1.188 669 R HN 0.474 nan 8.270 nan 0.000 0.450 670 V N 3.235 122.605 119.914 -0.906 0.000 2.071 670 V HA 0.139 4.260 4.120 0.001 0.000 0.254 670 V C -0.142 175.561 176.094 -0.651 0.000 1.456 670 V CA 0.285 62.051 62.300 -0.890 0.000 1.383 670 V CB -0.716 30.372 31.823 -1.225 0.000 1.433 670 V HN 0.721 nan 8.190 nan 0.000 0.499 671 E N 0.873 120.738 120.200 -0.558 0.000 2.314 671 E HA 0.408 4.759 4.350 0.001 0.000 0.272 671 E C 0.119 176.484 176.600 -0.391 0.000 0.884 671 E CA -0.835 55.307 56.400 -0.429 0.000 0.753 671 E CB 1.667 31.200 29.700 -0.278 0.000 1.213 671 E HN 0.379 nan 8.360 nan 0.000 0.432 672 H N 1.539 120.527 119.070 -0.136 0.000 2.387 672 H HA -0.122 4.435 4.556 0.001 0.000 0.299 672 H C 1.077 176.340 175.328 -0.108 0.000 1.099 672 H CA 1.498 57.478 56.048 -0.114 0.000 1.315 672 H CB 0.412 30.122 29.762 -0.088 0.000 1.380 672 H HN 0.607 nan 8.280 nan 0.000 0.513 673 E N 0.389 120.581 120.200 -0.014 0.000 2.072 673 E HA -0.131 4.219 4.350 0.001 0.000 0.191 673 E C 1.698 178.246 176.600 -0.087 0.000 0.985 673 E CA 1.082 57.457 56.400 -0.042 0.000 0.801 673 E CB 0.105 29.778 29.700 -0.044 0.000 0.750 673 E HN 0.443 nan 8.360 nan 0.000 0.452 674 D N 0.479 120.792 120.400 -0.146 0.000 2.117 674 D HA -0.115 4.525 4.640 0.001 0.000 0.198 674 D C 1.818 178.012 176.300 -0.177 0.000 0.982 674 D CA 0.797 54.684 54.000 -0.188 0.000 0.828 674 D CB -0.065 40.565 40.800 -0.284 0.000 0.967 674 D HN 0.141 nan 8.370 nan 0.000 0.464 675 I N 0.818 121.274 120.570 -0.189 0.000 2.226 675 I HA -0.262 3.909 4.170 0.001 0.000 0.245 675 I C 2.363 178.440 176.117 -0.067 0.000 1.100 675 I CA 0.951 62.167 61.300 -0.141 0.000 1.374 675 I CB -0.211 37.697 38.000 -0.154 0.000 1.057 675 I HN -0.032 nan 8.210 nan 0.000 0.413 676 A N 0.928 123.719 122.820 -0.048 0.000 1.877 676 A HA -0.235 4.086 4.320 0.001 0.000 0.216 676 A C 2.321 179.889 177.584 -0.025 0.000 1.186 676 A CA 1.726 53.749 52.037 -0.024 0.000 0.620 676 A CB -0.478 18.512 19.000 -0.017 0.000 0.822 676 A HN 0.306 nan 8.150 nan 0.000 0.443 677 K N -0.915 119.458 120.400 -0.044 0.000 2.063 677 K HA -0.170 4.150 4.320 0.001 0.000 0.208 677 K C 2.380 178.957 176.600 -0.038 0.000 1.048 677 K CA 1.655 57.916 56.287 -0.043 0.000 0.928 677 K CB -0.169 32.291 32.500 -0.067 0.000 0.713 677 K HN 0.480 nan 8.250 nan 0.000 0.442 678 R N 0.619 121.089 120.500 -0.050 0.000 2.092 678 R HA -0.088 4.252 4.340 0.001 0.000 0.231 678 R C 1.920 178.225 176.300 0.007 0.000 1.119 678 R CA 1.752 57.833 56.100 -0.030 0.000 0.970 678 R CB -0.158 30.124 30.300 -0.030 0.000 0.864 678 R HN 0.081 nan 8.270 nan 0.000 0.440 679 T N 1.625 116.183 114.554 0.007 0.000 2.746 679 T HA -0.140 4.211 4.350 0.001 0.000 0.267 679 T C 1.596 176.326 174.700 0.051 0.000 1.039 679 T CA 1.195 63.311 62.100 0.027 0.000 1.142 679 T CB -0.211 68.666 68.868 0.015 0.000 0.866 679 T HN 0.148 nan 8.240 nan 0.000 0.444 680 L N 1.462 122.713 121.223 0.045 0.000 2.017 680 L HA 0.054 4.394 4.340 0.001 0.000 0.208 680 L C 2.508 179.440 176.870 0.103 0.000 1.073 680 L CA 1.767 56.651 54.840 0.073 0.000 0.745 680 L CB -0.631 41.459 42.059 0.052 0.000 0.894 680 L HN 0.053 nan 8.230 nan 0.000 0.432 681 R N -0.579 119.963 120.500 0.070 0.000 2.083 681 R HA -0.190 4.150 4.340 0.001 0.000 0.237 681 R C 1.957 178.384 176.300 0.212 0.000 1.137 681 R CA 1.916 58.070 56.100 0.090 0.000 0.951 681 R CB -0.240 30.023 30.300 -0.063 0.000 0.851 681 R HN 0.481 nan 8.270 nan 0.000 0.434 682 N N 0.148 118.936 118.700 0.146 0.000 2.396 682 N HA -0.068 4.672 4.740 0.001 0.000 0.180 682 N C 1.421 177.008 175.510 0.128 0.000 1.028 682 N CA 1.090 54.232 53.050 0.154 0.000 0.893 682 N CB -0.118 38.429 38.487 0.099 0.000 0.967 682 N HN 0.312 nan 8.380 nan 0.000 0.440 683 A N 0.586 123.484 122.820 0.129 0.000 1.902 683 A HA -0.136 4.185 4.320 0.001 0.000 0.217 683 A C 2.578 180.297 177.584 0.225 0.000 1.181 683 A CA 1.137 53.255 52.037 0.135 0.000 0.623 683 A CB -0.956 18.145 19.000 0.169 0.000 0.818 683 A HN 0.400 nan 8.150 nan 0.000 0.443 684 C N -1.320 118.150 119.300 0.282 0.000 2.429 684 C HA -0.074 4.387 4.460 0.001 0.000 0.277 684 C C 2.521 177.667 174.990 0.260 0.000 1.262 684 C CA 1.076 60.299 59.018 0.341 0.000 1.733 684 C CB -1.480 26.448 27.740 0.313 0.000 2.010 684 C HN 0.679 nan 8.230 nan 0.000 0.483 685 L N 1.470 122.819 121.223 0.211 0.000 2.079 685 L HA -0.162 4.179 4.340 0.001 0.000 0.210 685 L C 2.682 179.566 176.870 0.023 0.000 1.081 685 L CA 1.797 56.678 54.840 0.070 0.000 0.752 685 L CB -0.641 41.502 42.059 0.140 0.000 0.896 685 L HN 0.277 nan 8.230 nan 0.000 0.433 686 R N -1.363 119.131 120.500 -0.009 0.000 2.103 686 R HA -0.205 4.135 4.340 0.001 0.000 0.242 686 R C 2.204 178.463 176.300 -0.068 0.000 1.142 686 R CA 2.031 58.060 56.100 -0.117 0.000 0.960 686 R CB -0.693 29.421 30.300 -0.310 0.000 0.858 686 R HN 0.355 nan 8.270 nan 0.000 0.439 687 F N 0.662 120.678 119.950 0.110 0.000 2.163 687 F HA -0.040 4.487 4.527 0.001 0.000 0.297 687 F C 2.265 178.129 175.800 0.106 0.000 1.094 687 F CA 0.785 58.855 58.000 0.118 0.000 1.290 687 F CB -0.525 38.502 39.000 0.044 0.000 1.017 687 F HN -0.106 nan 8.300 nan 0.000 0.483 688 L N -0.226 121.114 121.223 0.194 0.000 2.191 688 L HA -0.191 4.150 4.340 0.001 0.000 0.212 688 L C 2.601 179.461 176.870 -0.017 0.000 1.103 688 L CA 0.915 55.779 54.840 0.040 0.000 0.769 688 L CB -0.949 41.044 42.059 -0.109 0.000 0.908 688 L HN 0.155 nan 8.230 nan 0.000 0.438 689 A N -0.517 122.277 122.820 -0.043 0.000 2.070 689 A HA -0.148 4.173 4.320 0.001 0.000 0.220 689 A C 1.630 179.021 177.584 -0.323 0.000 1.159 689 A CA 1.296 53.211 52.037 -0.204 0.000 0.656 689 A CB -0.566 18.265 19.000 -0.282 0.000 0.800 689 A HN 0.397 nan 8.150 nan 0.000 0.453 690 F N -0.189 119.751 119.950 -0.017 0.000 2.639 690 F HA 0.316 4.844 4.527 0.001 0.000 0.300 690 F C 1.640 177.443 175.800 0.004 0.000 1.109 690 F CA -0.273 57.726 58.000 -0.003 0.000 1.335 690 F CB -0.085 38.924 39.000 0.014 0.000 1.014 690 F HN 0.213 nan 8.300 nan 0.000 0.537 691 G N -0.514 108.341 108.800 0.093 0.000 2.516 691 G HA2 0.028 3.988 3.960 0.001 0.000 0.276 691 G HA3 0.028 3.988 3.960 0.001 0.000 0.276 691 G C -0.268 174.650 174.900 0.030 0.000 1.390 691 G CA -0.470 44.664 45.100 0.056 0.000 1.050 691 G HN 0.060 nan 8.290 nan 0.000 0.519 692 E N -0.594 119.620 120.200 0.022 0.000 2.529 692 E HA -0.045 4.306 4.350 0.001 0.000 0.259 692 E C 1.605 178.212 176.600 0.012 0.000 0.966 692 E CA 0.307 56.721 56.400 0.023 0.000 0.937 692 E CB 0.420 30.137 29.700 0.029 0.000 0.923 692 E HN 0.348 nan 8.360 nan 0.000 0.468 693 T N 4.144 118.710 114.554 0.019 0.000 2.635 693 T HA -0.250 4.100 4.350 0.001 0.000 0.267 693 T C 1.466 176.179 174.700 0.022 0.000 1.040 693 T CA 2.020 64.124 62.100 0.005 0.000 1.156 693 T CB -0.471 68.406 68.868 0.015 0.000 0.863 693 T HN 0.632 nan 8.240 nan 0.000 0.430 694 H N 0.506 119.560 119.070 -0.028 0.000 2.357 694 H HA 0.063 4.620 4.556 0.001 0.000 0.301 694 H C 2.055 177.368 175.328 -0.026 0.000 1.082 694 H CA 1.109 57.142 56.048 -0.025 0.000 1.342 694 H CB -0.573 29.180 29.762 -0.016 0.000 1.389 694 H HN 0.167 nan 8.280 nan 0.000 0.511 695 L N 0.274 121.451 121.223 -0.077 0.000 2.012 695 L HA -0.099 4.241 4.340 0.001 0.000 0.210 695 L C 2.502 179.284 176.870 -0.147 0.000 1.073 695 L CA 2.000 56.769 54.840 -0.119 0.000 0.748 695 L CB -1.163 40.873 42.059 -0.039 0.000 0.891 695 L HN 0.398 nan 8.230 nan 0.000 0.431 696 A N -1.066 121.684 122.820 -0.117 0.000 1.877 696 A HA -0.278 4.042 4.320 0.001 0.000 0.216 696 A C 2.098 179.591 177.584 -0.151 0.000 1.186 696 A CA 1.916 53.873 52.037 -0.133 0.000 0.620 696 A CB -1.011 17.912 19.000 -0.127 0.000 0.822 696 A HN 0.549 nan 8.150 nan 0.000 0.443 697 D N -0.700 119.608 120.400 -0.153 0.000 2.117 697 D HA -0.120 4.521 4.640 0.001 0.000 0.197 697 D C 1.815 178.028 176.300 -0.144 0.000 0.987 697 D CA 1.487 55.404 54.000 -0.139 0.000 0.829 697 D CB -0.037 40.701 40.800 -0.102 0.000 0.961 697 D HN 0.143 nan 8.370 nan 0.000 0.460 698 V N 0.248 120.027 119.914 -0.226 0.000 2.307 698 V HA -0.177 3.944 4.120 0.001 0.000 0.245 698 V C 2.454 178.495 176.094 -0.088 0.000 1.045 698 V CA 1.319 63.511 62.300 -0.180 0.000 1.024 698 V CB -0.501 31.153 31.823 -0.282 0.000 0.651 698 V HN 0.262 nan 8.190 nan 0.000 0.449 699 L N -0.261 120.896 121.223 -0.110 0.000 2.017 699 L HA -0.124 4.216 4.340 0.001 0.000 0.208 699 L C 2.341 179.184 176.870 -0.045 0.000 1.073 699 L CA 1.860 56.648 54.840 -0.087 0.000 0.745 699 L CB -0.389 41.567 42.059 -0.172 0.000 0.894 699 L HN 0.113 nan 8.230 nan 0.000 0.432 700 V N -1.462 118.410 119.914 -0.070 0.000 2.307 700 V HA -0.259 3.862 4.120 0.001 0.000 0.245 700 V C 2.697 178.796 176.094 0.008 0.000 1.045 700 V CA 1.842 64.118 62.300 -0.040 0.000 1.024 700 V CB -0.507 31.260 31.823 -0.094 0.000 0.651 700 V HN 0.601 nan 8.190 nan 0.000 0.449 701 S N -0.758 114.941 115.700 -0.002 0.000 2.382 701 S HA -0.263 4.208 4.470 0.001 0.000 0.228 701 S C 2.125 176.819 174.600 0.156 0.000 1.027 701 S CA 2.084 60.310 58.200 0.043 0.000 0.991 701 S CB -0.272 62.985 63.200 0.095 0.000 0.823 701 S HN 0.587 nan 8.310 nan 0.000 0.469 702 K N 0.582 121.067 120.400 0.142 0.000 2.032 702 K HA -0.185 4.135 4.320 0.001 0.000 0.209 702 K C 2.445 179.144 176.600 0.165 0.000 1.048 702 K CA 1.774 58.160 56.287 0.164 0.000 0.927 702 K CB -0.360 32.202 32.500 0.103 0.000 0.712 702 K HN 0.514 nan 8.250 nan 0.000 0.441 703 Q N -0.405 119.487 119.800 0.153 0.000 2.084 703 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 703 Q C 1.965 178.044 176.000 0.132 0.000 0.978 703 Q CA 1.713 57.615 55.803 0.166 0.000 0.844 703 Q CB -0.218 28.644 28.738 0.207 0.000 0.898 703 Q HN 0.388 nan 8.270 nan 0.000 0.426 704 F N 0.363 120.287 119.950 -0.043 0.000 2.095 704 F HA -0.215 4.313 4.527 0.001 0.000 0.298 704 F C 1.701 177.439 175.800 -0.103 0.000 1.104 704 F CA 2.272 60.203 58.000 -0.114 0.000 1.232 704 F CB -0.162 38.683 39.000 -0.258 0.000 0.987 704 F HN 0.227 nan 8.300 nan 0.000 0.475 705 H N -1.056 118.110 119.070 0.160 0.000 2.436 705 H HA 0.009 4.565 4.556 0.001 0.000 0.294 705 H C 1.727 177.049 175.328 -0.011 0.000 1.048 705 H CA 1.326 57.406 56.048 0.053 0.000 1.353 705 H CB 0.005 29.848 29.762 0.133 0.000 1.414 705 H HN 0.363 nan 8.280 nan 0.000 0.536 706 E N 0.679 120.954 120.200 0.125 0.000 2.447 706 E HA 0.171 4.521 4.350 0.001 0.000 0.195 706 E C 0.541 177.166 176.600 0.042 0.000 1.028 706 E CA -0.096 56.355 56.400 0.084 0.000 0.876 706 E CB 0.484 30.247 29.700 0.104 0.000 0.885 706 E HN 0.323 nan 8.360 nan 0.000 0.500 707 A N 2.842 125.659 122.820 -0.005 0.000 2.567 707 A HA -0.041 4.280 4.320 0.001 0.000 0.240 707 A C 0.647 178.191 177.584 -0.066 0.000 1.053 707 A CA 0.016 52.029 52.037 -0.039 0.000 0.755 707 A CB -0.015 18.929 19.000 -0.094 0.000 0.978 707 A HN 0.281 nan 8.150 nan 0.000 0.507 708 N N 0.692 119.352 118.700 -0.067 0.000 2.238 708 N HA 0.123 4.864 4.740 0.001 0.000 0.222 708 N C -0.594 174.798 175.510 -0.197 0.000 1.133 708 N CA 0.061 53.057 53.050 -0.090 0.000 0.854 708 N CB -0.355 38.108 38.487 -0.041 0.000 1.041 708 N HN 0.780 nan 8.380 nan 0.000 0.510 709 N N -2.715 115.826 118.700 -0.266 0.000 2.859 709 N HA 0.166 4.906 4.740 0.001 0.000 0.250 709 N C 0.006 175.332 175.510 -0.307 0.000 1.341 709 N CA -0.870 51.898 53.050 -0.471 0.000 0.881 709 N CB 0.719 38.569 38.487 -1.062 0.000 1.516 709 N HN -0.172 nan 8.380 nan 0.000 0.503 710 M N 0.383 119.811 119.600 -0.287 0.000 2.319 710 M HA 0.109 4.590 4.480 0.001 0.000 0.265 710 M C 0.974 177.214 176.300 -0.101 0.000 1.068 710 M CA 1.789 56.987 55.300 -0.171 0.000 1.118 710 M CB -0.848 31.635 32.600 -0.195 0.000 1.395 710 M HN 0.786 nan 8.290 nan 0.000 0.435 711 T N 0.738 115.224 114.554 -0.114 0.000 2.652 711 T HA -0.149 4.202 4.350 0.001 0.000 0.267 711 T C 1.385 176.086 174.700 0.002 0.000 1.039 711 T CA 1.858 63.945 62.100 -0.021 0.000 1.153 711 T CB -0.453 68.438 68.868 0.037 0.000 0.863 711 T HN 0.402 nan 8.240 nan 0.000 0.428 712 D N 1.017 121.404 120.400 -0.021 0.000 2.149 712 D HA 0.079 4.719 4.640 0.001 0.000 0.201 712 D C 2.359 178.683 176.300 0.041 0.000 0.972 712 D CA 1.035 55.048 54.000 0.022 0.000 0.835 712 D CB -0.437 40.371 40.800 0.013 0.000 0.966 712 D HN 0.392 nan 8.370 nan 0.000 0.476 713 A N 0.909 123.725 122.820 -0.008 0.000 1.877 713 A HA -0.137 4.184 4.320 0.001 0.000 0.216 713 A C 2.157 179.861 177.584 0.201 0.000 1.186 713 A CA 0.968 53.011 52.037 0.011 0.000 0.620 713 A CB -0.755 18.156 19.000 -0.148 0.000 0.822 713 A HN 0.230 nan 8.150 nan 0.000 0.443 714 L N -0.270 121.037 121.223 0.139 0.000 2.083 714 L HA -0.038 4.302 4.340 0.001 0.000 0.209 714 L C 2.666 179.590 176.870 0.089 0.000 1.083 714 L CA 2.004 56.924 54.840 0.133 0.000 0.752 714 L CB -0.721 41.383 42.059 0.074 0.000 0.899 714 L HN 0.357 nan 8.230 nan 0.000 0.433 715 A N -0.537 122.330 122.820 0.078 0.000 1.902 715 A HA -0.136 4.185 4.320 0.001 0.000 0.217 715 A C 2.450 180.074 177.584 0.066 0.000 1.181 715 A CA 1.886 53.961 52.037 0.062 0.000 0.623 715 A CB -1.127 17.917 19.000 0.075 0.000 0.818 715 A HN 0.552 nan 8.150 nan 0.000 0.443 716 A N -0.687 122.202 122.820 0.116 0.000 1.873 716 A HA 0.004 4.324 4.320 0.001 0.000 0.215 716 A C 2.125 179.735 177.584 0.043 0.000 1.186 716 A CA 1.661 53.762 52.037 0.107 0.000 0.616 716 A CB -0.660 18.458 19.000 0.197 0.000 0.823 716 A HN 0.611 nan 8.150 nan 0.000 0.442 717 L N 0.243 121.528 121.223 0.104 0.000 2.042 717 L HA -0.140 4.200 4.340 0.001 0.000 0.210 717 L C 2.563 179.367 176.870 -0.110 0.000 1.076 717 L CA 2.540 57.343 54.840 -0.063 0.000 0.749 717 L CB -0.625 41.439 42.059 0.008 0.000 0.893 717 L HN 0.320 nan 8.230 nan 0.000 0.432 718 S N -0.379 115.282 115.700 -0.064 0.000 2.382 718 S HA -0.165 4.306 4.470 0.001 0.000 0.228 718 S C 2.078 176.622 174.600 -0.093 0.000 1.027 718 S CA 1.094 59.245 58.200 -0.082 0.000 0.991 718 S CB -0.601 62.571 63.200 -0.047 0.000 0.823 718 S HN 0.660 nan 8.310 nan 0.000 0.469 719 A N 1.557 124.325 122.820 -0.085 0.000 1.898 719 A HA 0.184 4.504 4.320 0.001 0.000 0.216 719 A C 2.364 179.834 177.584 -0.190 0.000 1.181 719 A CA 1.558 53.521 52.037 -0.124 0.000 0.620 719 A CB -1.052 17.888 19.000 -0.101 0.000 0.819 719 A HN 0.506 nan 8.150 nan 0.000 0.442 720 A N -0.512 122.204 122.820 -0.174 0.000 1.902 720 A HA -0.012 4.309 4.320 0.001 0.000 0.217 720 A C 2.224 179.690 177.584 -0.196 0.000 1.181 720 A CA 1.879 53.798 52.037 -0.198 0.000 0.623 720 A CB -0.840 18.036 19.000 -0.206 0.000 0.818 720 A HN 0.378 nan 8.150 nan 0.000 0.443 721 V N -0.335 119.470 119.914 -0.182 0.000 2.323 721 V HA -0.178 3.942 4.120 0.001 0.000 0.244 721 V C 3.053 179.068 176.094 -0.132 0.000 1.041 721 V CA 1.773 63.974 62.300 -0.166 0.000 1.025 721 V CB -1.237 30.477 31.823 -0.182 0.000 0.656 721 V HN 0.603 nan 8.190 nan 0.000 0.451 722 A N 0.036 122.786 122.820 -0.116 0.000 1.908 722 A HA -0.080 4.240 4.320 0.001 0.000 0.218 722 A C 2.162 179.707 177.584 -0.064 0.000 1.181 722 A CA 2.144 54.160 52.037 -0.034 0.000 0.627 722 A CB -0.579 18.438 19.000 0.029 0.000 0.818 722 A HN 0.618 nan 8.150 nan 0.000 0.445 723 A N -1.872 120.727 122.820 -0.369 0.000 2.308 723 A HA 0.349 4.670 4.320 0.001 0.000 0.217 723 A C 0.727 178.121 177.584 -0.317 0.000 1.216 723 A CA 0.579 52.195 52.037 -0.702 0.000 0.864 723 A CB -0.362 17.915 19.000 -1.205 0.000 0.902 723 A HN 0.552 nan 8.150 nan 0.000 0.499 724 Q N -0.461 119.223 119.800 -0.193 0.000 2.451 724 Q HA -0.177 4.163 4.340 0.001 0.000 0.305 724 Q C -0.650 175.269 176.000 -0.134 0.000 1.345 724 Q CA 0.355 56.080 55.803 -0.129 0.000 0.854 724 Q CB -1.784 26.910 28.738 -0.073 0.000 1.162 724 Q HN 0.675 nan 8.270 nan 0.000 0.440 725 L N -0.289 120.834 121.223 -0.166 0.000 2.452 725 L HA 0.063 4.403 4.340 0.001 0.000 0.267 725 L C -0.860 175.951 176.870 -0.099 0.000 1.188 725 L CA -1.587 53.167 54.840 -0.143 0.000 0.821 725 L CB 0.115 42.073 42.059 -0.168 0.000 1.102 725 L HN -0.013 nan 8.230 nan 0.000 0.470 726 P HA -0.190 nan 4.420 nan 0.000 0.217 726 P C 1.473 178.746 177.300 -0.046 0.000 1.151 726 P CA 1.320 64.395 63.100 -0.041 0.000 0.849 726 P CB -0.066 31.628 31.700 -0.010 0.000 0.787 727 C N -1.370 117.895 119.300 -0.060 0.000 2.491 727 C HA 0.167 4.628 4.460 0.001 0.000 0.277 727 C C 2.511 177.437 174.990 -0.106 0.000 1.455 727 C CA -0.455 58.526 59.018 -0.063 0.000 1.758 727 C CB -1.915 25.788 27.740 -0.062 0.000 1.745 727 C HN 0.137 nan 8.230 nan 0.000 0.558 728 R N 1.583 122.011 120.500 -0.120 0.000 2.097 728 R HA -0.189 4.152 4.340 0.001 0.000 0.236 728 R C 1.725 177.950 176.300 -0.125 0.000 1.135 728 R CA 2.636 58.646 56.100 -0.150 0.000 0.934 728 R CB -0.556 29.658 30.300 -0.143 0.000 0.846 728 R HN 0.475 nan 8.270 nan 0.000 0.431 729 D N 0.013 120.366 120.400 -0.078 0.000 2.144 729 D HA -0.120 4.521 4.640 0.001 0.000 0.199 729 D C 1.739 178.034 176.300 -0.008 0.000 0.984 729 D CA 1.480 55.456 54.000 -0.039 0.000 0.834 729 D CB -0.304 40.483 40.800 -0.021 0.000 0.955 729 D HN 0.428 nan 8.370 nan 0.000 0.465 730 A N 0.789 123.600 122.820 -0.016 0.000 1.858 730 A HA -0.126 4.194 4.320 0.001 0.000 0.216 730 A C 2.393 179.974 177.584 -0.006 0.000 1.190 730 A CA 0.972 53.018 52.037 0.015 0.000 0.617 730 A CB -0.803 18.216 19.000 0.031 0.000 0.827 730 A HN 0.205 nan 8.150 nan 0.000 0.443 731 L N -1.095 120.039 121.223 -0.147 0.000 2.046 731 L HA -0.213 4.128 4.340 0.001 0.000 0.208 731 L C 2.838 179.605 176.870 -0.173 0.000 1.077 731 L CA 1.201 55.791 54.840 -0.417 0.000 0.747 731 L CB -0.671 40.888 42.059 -0.833 0.000 0.896 731 L HN 0.347 nan 8.230 nan 0.000 0.432 732 M N -0.502 119.069 119.600 -0.047 0.000 2.159 732 M HA -0.220 4.261 4.480 0.001 0.000 0.263 732 M C 2.287 178.859 176.300 0.452 0.000 1.063 732 M CA 1.663 57.092 55.300 0.215 0.000 1.110 732 M CB -0.939 31.683 32.600 0.037 0.000 1.374 732 M HN 0.236 nan 8.290 nan 0.000 0.411 733 Q N 0.792 120.746 119.800 0.258 0.000 2.123 733 Q HA -0.111 4.229 4.340 0.001 0.000 0.199 733 Q C 1.700 177.824 176.000 0.207 0.000 0.966 733 Q CA 1.671 57.612 55.803 0.231 0.000 0.845 733 Q CB -0.082 28.743 28.738 0.145 0.000 0.907 733 Q HN 0.540 nan 8.270 nan 0.000 0.439 734 E N -1.169 119.162 120.200 0.219 0.000 2.077 734 E HA -0.221 4.130 4.350 0.001 0.000 0.193 734 E C 1.679 178.465 176.600 0.310 0.000 0.989 734 E CA 1.259 57.809 56.400 0.251 0.000 0.800 734 E CB -0.276 29.631 29.700 0.344 0.000 0.746 734 E HN 0.476 nan 8.360 nan 0.000 0.452 735 Y N 1.637 122.115 120.300 0.296 0.000 2.145 735 Y HA -0.265 4.286 4.550 0.001 0.000 0.286 735 Y C 2.231 178.184 175.900 0.088 0.000 1.145 735 Y CA 1.753 60.062 58.100 0.349 0.000 1.148 735 Y CB 0.039 38.773 38.460 0.457 0.000 0.981 735 Y HN 0.004 nan 8.280 nan 0.000 0.507 736 D N 0.252 120.726 120.400 0.123 0.000 2.106 736 D HA -0.219 4.422 4.640 0.001 0.000 0.191 736 D C 1.615 177.927 176.300 0.020 0.000 0.997 736 D CA 1.963 55.851 54.000 -0.188 0.000 0.834 736 D CB -0.374 40.283 40.800 -0.238 0.000 0.956 736 D HN 0.388 nan 8.370 nan 0.000 0.448 737 D N -0.117 120.314 120.400 0.052 0.000 2.149 737 D HA -0.156 4.484 4.640 0.001 0.000 0.198 737 D C 1.956 178.268 176.300 0.020 0.000 0.990 737 D CA 0.888 54.925 54.000 0.060 0.000 0.839 737 D CB -0.207 40.608 40.800 0.026 0.000 0.948 737 D HN 0.352 nan 8.370 nan 0.000 0.460 738 K N -1.111 119.193 120.400 -0.159 0.000 2.167 738 K HA -0.078 4.242 4.320 0.001 0.000 0.203 738 K C 1.175 177.311 176.600 -0.773 0.000 1.052 738 K CA 0.726 56.688 56.287 -0.542 0.000 0.956 738 K CB 0.088 32.136 32.500 -0.753 0.000 0.735 738 K HN 0.170 nan 8.250 nan 0.000 0.451 739 W N -0.206 120.941 121.300 -0.255 0.000 2.714 739 W HA 0.128 4.788 4.660 0.001 0.000 0.353 739 W C 1.282 177.628 176.519 -0.288 0.000 0.999 739 W CA -0.191 56.950 57.345 -0.340 0.000 1.629 739 W CB 0.293 29.436 29.460 -0.529 0.000 1.106 739 W HN 0.283 nan 8.180 nan 0.000 0.545 740 H N 0.299 119.361 119.070 -0.013 0.000 2.460 740 H HA -0.254 4.302 4.556 0.001 0.000 0.297 740 H C 1.998 177.357 175.328 0.051 0.000 1.103 740 H CA 1.905 57.951 56.048 -0.003 0.000 1.292 740 H CB -0.460 29.293 29.762 -0.016 0.000 1.376 740 H HN 0.145 nan 8.280 nan 0.000 0.531 741 Q N 0.648 120.184 119.800 -0.441 0.000 2.472 741 Q HA -0.056 4.284 4.340 0.001 0.000 0.208 741 Q C -0.114 175.865 176.000 -0.036 0.000 0.958 741 Q CA 0.583 56.262 55.803 -0.207 0.000 0.932 741 Q CB -0.054 28.500 28.738 -0.306 0.000 1.007 741 Q HN 0.493 nan 8.270 nan 0.000 0.508 742 N N 0.813 119.523 118.700 0.017 0.000 2.558 742 N HA 0.214 4.954 4.740 0.001 0.000 0.242 742 N C 0.555 176.088 175.510 0.038 0.000 0.979 742 N CA 0.295 53.374 53.050 0.048 0.000 0.931 742 N CB 1.242 39.798 38.487 0.115 0.000 1.122 742 N HN 0.174 nan 8.380 nan 0.000 0.508 743 G N 3.251 112.074 108.800 0.038 0.000 2.446 743 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 743 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 743 G C 1.483 176.407 174.900 0.041 0.000 1.168 743 G CA 0.593 45.730 45.100 0.062 0.000 0.771 743 G HN 0.586 nan 8.290 nan 0.000 0.551 744 L N 0.159 121.367 121.223 -0.025 0.000 2.079 744 L HA -0.108 4.233 4.340 0.001 0.000 0.210 744 L C 2.978 179.810 176.870 -0.063 0.000 1.081 744 L CA 0.586 55.392 54.840 -0.057 0.000 0.752 744 L CB -0.497 41.500 42.059 -0.104 0.000 0.896 744 L HN 0.114 nan 8.230 nan 0.000 0.433 745 V N -0.838 119.007 119.914 -0.116 0.000 2.379 745 V HA -0.234 3.886 4.120 0.001 0.000 0.245 745 V C 2.512 178.626 176.094 0.032 0.000 1.044 745 V CA 1.259 63.444 62.300 -0.192 0.000 1.036 745 V CB -0.336 31.145 31.823 -0.569 0.000 0.664 745 V HN 0.363 nan 8.190 nan 0.000 0.453 746 M N -0.420 119.212 119.600 0.052 0.000 2.296 746 M HA -0.126 4.355 4.480 0.001 0.000 0.265 746 M C 1.874 178.228 176.300 0.091 0.000 1.064 746 M CA 1.263 56.579 55.300 0.027 0.000 1.109 746 M CB -1.289 31.256 32.600 -0.091 0.000 1.396 746 M HN 0.337 nan 8.290 nan 0.000 0.430 747 D N 0.731 121.261 120.400 0.216 0.000 2.158 747 D HA -0.157 4.484 4.640 0.001 0.000 0.197 747 D C 1.938 178.359 176.300 0.203 0.000 0.995 747 D CA 1.035 55.212 54.000 0.296 0.000 0.846 747 D CB -0.057 40.841 40.800 0.163 0.000 0.941 747 D HN 0.240 nan 8.370 nan 0.000 0.456 748 K N -0.356 120.116 120.400 0.120 0.000 2.097 748 K HA -0.144 4.177 4.320 0.001 0.000 0.205 748 K C 2.073 178.682 176.600 0.015 0.000 1.050 748 K CA 0.456 56.778 56.287 0.059 0.000 0.938 748 K CB -0.677 31.852 32.500 0.047 0.000 0.718 748 K HN 0.357 nan 8.250 nan 0.000 0.442 749 W N 0.789 121.937 121.300 -0.253 0.000 2.409 749 W HA -0.107 4.553 4.660 0.001 0.000 0.299 749 W C 1.657 178.016 176.519 -0.265 0.000 1.203 749 W CA 0.904 58.002 57.345 -0.412 0.000 1.298 749 W CB -0.183 28.979 29.460 -0.497 0.000 1.127 749 W HN -0.112 nan 8.180 nan 0.000 0.528 750 F N 0.647 120.745 119.950 0.248 0.000 2.126 750 F HA -0.214 4.313 4.527 0.001 0.000 0.299 750 F C 2.221 177.999 175.800 -0.037 0.000 1.096 750 F CA 1.587 59.636 58.000 0.081 0.000 1.255 750 F CB -1.373 37.733 39.000 0.176 0.000 0.997 750 F HN -0.157 nan 8.300 nan 0.000 0.479 751 I N -0.476 120.195 120.570 0.168 0.000 2.208 751 I HA -0.320 3.850 4.170 0.001 0.000 0.245 751 I C 2.360 178.461 176.117 -0.028 0.000 1.097 751 I CA 1.220 62.560 61.300 0.066 0.000 1.363 751 I CB -0.511 37.519 38.000 0.050 0.000 1.051 751 I HN 0.108 nan 8.210 nan 0.000 0.413 752 L N -0.176 120.978 121.223 -0.115 0.000 2.046 752 L HA -0.220 4.120 4.340 0.001 0.000 0.208 752 L C 2.752 179.479 176.870 -0.238 0.000 1.077 752 L CA 1.138 55.860 54.840 -0.196 0.000 0.747 752 L CB -0.616 41.268 42.059 -0.292 0.000 0.896 752 L HN 0.330 nan 8.230 nan 0.000 0.432 753 Q N -0.183 119.422 119.800 -0.324 0.000 2.084 753 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 753 Q C 2.406 178.330 176.000 -0.127 0.000 0.978 753 Q CA 1.787 57.401 55.803 -0.314 0.000 0.844 753 Q CB -0.327 28.163 28.738 -0.413 0.000 0.898 753 Q HN 0.541 nan 8.270 nan 0.000 0.426 754 A N 0.984 123.785 122.820 -0.032 0.000 2.015 754 A HA -0.095 4.225 4.320 0.001 0.000 0.219 754 A C 2.020 179.666 177.584 0.103 0.000 1.163 754 A CA 1.796 53.890 52.037 0.095 0.000 0.646 754 A CB -0.404 18.682 19.000 0.142 0.000 0.806 754 A HN 0.476 nan 8.150 nan 0.000 0.448 755 T N -2.979 111.581 114.554 0.011 0.000 3.145 755 T HA 0.293 4.644 4.350 0.001 0.000 0.255 755 T C 0.635 175.315 174.700 -0.032 0.000 1.039 755 T CA 0.449 62.542 62.100 -0.013 0.000 0.928 755 T CB -0.358 68.496 68.868 -0.024 0.000 1.029 755 T HN 0.218 nan 8.240 nan 0.000 0.554 756 S N 3.211 118.884 115.700 -0.045 0.000 2.560 756 S HA 0.208 4.678 4.470 0.001 0.000 0.284 756 S C -1.090 173.491 174.600 -0.032 0.000 1.327 756 S CA -1.165 56.998 58.200 -0.062 0.000 1.055 756 S CB 0.850 63.992 63.200 -0.096 0.000 0.868 756 S HN 0.238 nan 8.310 nan 0.000 0.506 757 P HA 0.155 nan 4.420 nan 0.000 0.245 757 P C 0.131 177.423 177.300 -0.012 0.000 1.212 757 P CA 0.101 63.197 63.100 -0.008 0.000 0.774 757 P CB -0.321 31.389 31.700 0.017 0.000 0.999 758 A N 0.653 123.455 122.820 -0.030 0.000 2.531 758 A HA 0.334 4.655 4.320 0.001 0.000 0.236 758 A C 1.843 179.413 177.584 -0.024 0.000 1.062 758 A CA 0.438 52.455 52.037 -0.034 0.000 0.760 758 A CB 0.007 18.974 19.000 -0.055 0.000 0.995 758 A HN 0.190 nan 8.150 nan 0.000 0.501 759 A N 2.276 125.083 122.820 -0.022 0.000 1.978 759 A HA -0.172 4.148 4.320 0.001 0.000 0.220 759 A C 1.514 179.081 177.584 -0.028 0.000 1.170 759 A CA 1.851 53.877 52.037 -0.019 0.000 0.636 759 A CB -0.607 18.382 19.000 -0.018 0.000 0.810 759 A HN 1.087 nan 8.150 nan 0.000 0.448 760 N N 0.138 118.814 118.700 -0.040 0.000 2.322 760 N HA 0.039 4.780 4.740 0.001 0.000 0.216 760 N C 0.871 176.335 175.510 -0.076 0.000 1.144 760 N CA 0.582 53.597 53.050 -0.057 0.000 0.830 760 N CB -0.386 38.067 38.487 -0.058 0.000 1.034 760 N HN 0.160 nan 8.380 nan 0.000 0.484 761 V N 0.319 120.202 119.914 -0.051 0.000 2.282 761 V HA -0.231 3.889 4.120 0.001 0.000 0.249 761 V C 2.049 178.061 176.094 -0.136 0.000 1.057 761 V CA 1.558 63.827 62.300 -0.051 0.000 1.032 761 V CB -0.450 31.395 31.823 0.037 0.000 0.645 761 V HN 0.388 nan 8.190 nan 0.000 0.447 762 L N 0.617 121.749 121.223 -0.150 0.000 2.046 762 L HA -0.169 4.172 4.340 0.001 0.000 0.208 762 L C 2.479 179.089 176.870 -0.433 0.000 1.077 762 L CA 2.734 57.316 54.840 -0.429 0.000 0.747 762 L CB -1.040 40.822 42.059 -0.328 0.000 0.896 762 L HN 0.610 nan 8.230 nan 0.000 0.432 763 E N -1.308 118.740 120.200 -0.253 0.000 2.085 763 E HA -0.247 4.104 4.350 0.001 0.000 0.194 763 E C 1.835 178.317 176.600 -0.198 0.000 0.994 763 E CA 1.962 58.242 56.400 -0.200 0.000 0.801 763 E CB -0.092 29.535 29.700 -0.123 0.000 0.743 763 E HN 0.590 nan 8.360 nan 0.000 0.453 764 T N 0.353 114.796 114.554 -0.185 0.000 2.737 764 T HA -0.119 4.231 4.350 0.001 0.000 0.265 764 T C 1.949 176.530 174.700 -0.199 0.000 1.038 764 T CA 1.310 63.318 62.100 -0.154 0.000 1.144 764 T CB -0.243 68.540 68.868 -0.141 0.000 0.866 764 T HN 0.029 nan 8.240 nan 0.000 0.434 765 V N 1.603 121.329 119.914 -0.314 0.000 2.287 765 V HA -0.220 3.900 4.120 0.001 0.000 0.248 765 V C 2.669 178.509 176.094 -0.425 0.000 1.053 765 V CA 1.720 63.777 62.300 -0.405 0.000 1.027 765 V CB -0.580 30.848 31.823 -0.658 0.000 0.646 765 V HN 0.391 nan 8.190 nan 0.000 0.447 766 R N -0.022 120.168 120.500 -0.516 0.000 2.091 766 R HA -0.148 4.192 4.340 0.001 0.000 0.238 766 R C 2.469 178.679 176.300 -0.150 0.000 1.136 766 R CA 1.579 57.486 56.100 -0.322 0.000 0.959 766 R CB -0.919 29.204 30.300 -0.295 0.000 0.856 766 R HN 0.612 nan 8.270 nan 0.000 0.437 767 G N 1.044 109.768 108.800 -0.126 0.000 2.422 767 G HA2 -0.217 3.744 3.960 0.001 0.000 0.218 767 G HA3 -0.217 3.744 3.960 0.001 0.000 0.218 767 G C 1.370 176.280 174.900 0.016 0.000 1.146 767 G CA 0.414 45.493 45.100 -0.036 0.000 0.769 767 G HN 0.174 nan 8.290 nan 0.000 0.547 768 L N 0.293 121.509 121.223 -0.012 0.000 2.465 768 L HA 0.126 4.467 4.340 0.001 0.000 0.224 768 L C 2.473 179.270 176.870 -0.121 0.000 1.145 768 L CA -0.106 54.781 54.840 0.078 0.000 0.834 768 L CB -0.218 41.914 42.059 0.121 0.000 0.944 768 L HN 0.192 nan 8.230 nan 0.000 0.451 769 L N -0.491 120.586 121.223 -0.243 0.000 2.261 769 L HA -0.189 4.151 4.340 0.001 0.000 0.216 769 L C 2.007 178.939 176.870 0.103 0.000 1.114 769 L CA 0.783 55.460 54.840 -0.272 0.000 0.777 769 L CB -0.312 41.682 42.059 -0.108 0.000 0.910 769 L HN 0.403 nan 8.230 nan 0.000 0.440 770 Q N -1.815 118.059 119.800 0.124 0.000 2.282 770 Q HA 0.106 4.446 4.340 0.001 0.000 0.206 770 Q C 0.427 176.557 176.000 0.217 0.000 0.878 770 Q CA 0.109 56.010 55.803 0.162 0.000 0.944 770 Q CB -0.088 28.709 28.738 0.098 0.000 1.100 770 Q HN 0.408 nan 8.270 nan 0.000 0.509 771 H N 2.159 121.362 119.070 0.222 0.000 2.732 771 H HA 0.035 4.592 4.556 0.001 0.000 0.351 771 H C 1.305 176.803 175.328 0.285 0.000 1.090 771 H CA 0.451 56.668 56.048 0.282 0.000 1.431 771 H CB 0.877 30.917 29.762 0.463 0.000 1.447 771 H HN 0.160 nan 8.280 nan 0.000 0.582 772 R N 1.864 122.327 120.500 -0.063 0.000 2.159 772 R HA -0.071 4.269 4.340 0.001 0.000 0.237 772 R C 1.056 177.542 176.300 0.310 0.000 1.131 772 R CA 1.595 57.742 56.100 0.078 0.000 0.982 772 R CB -0.070 30.181 30.300 -0.081 0.000 0.868 772 R HN 0.248 nan 8.270 nan 0.000 0.453 773 S N -0.146 115.955 115.700 0.668 0.000 2.575 773 S HA 0.123 4.594 4.470 0.001 0.000 0.215 773 S C -0.217 174.754 174.600 0.617 0.000 0.966 773 S CA -0.380 58.177 58.200 0.594 0.000 0.911 773 S CB -0.036 63.485 63.200 0.536 0.000 0.780 773 S HN 0.283 nan 8.310 nan 0.000 0.514 774 F N 2.177 122.388 119.950 0.436 0.000 2.422 774 F HA 0.616 5.144 4.527 0.001 0.000 0.333 774 F C 0.034 175.886 175.800 0.087 0.000 1.095 774 F CA -0.126 57.938 58.000 0.105 0.000 1.038 774 F CB 1.626 40.571 39.000 -0.091 0.000 1.156 774 F HN -0.152 nan 8.300 nan 0.000 0.483 775 T N 6.600 120.540 114.554 -1.022 0.000 3.041 775 T HA 0.233 4.584 4.350 0.001 0.000 0.321 775 T C 0.520 174.687 174.700 -0.889 0.000 1.184 775 T CA -0.772 60.928 62.100 -0.666 0.000 1.050 775 T CB 1.082 69.842 68.868 -0.180 0.000 1.159 775 T HN 0.649 nan 8.240 nan 0.000 0.469 776 M N 2.723 122.078 119.600 -0.409 0.000 2.549 776 M HA 0.019 4.499 4.480 0.001 0.000 0.260 776 M C 2.223 178.462 176.300 -0.101 0.000 1.076 776 M CA 1.059 56.253 55.300 -0.176 0.000 1.090 776 M CB -1.210 31.405 32.600 0.026 0.000 1.418 776 M HN 0.794 nan 8.290 nan 0.000 0.486 777 S N -0.586 115.081 115.700 -0.055 0.000 2.527 777 S HA 0.011 4.481 4.470 0.001 0.000 0.222 777 S C 0.787 175.525 174.600 0.231 0.000 0.985 777 S CA -0.098 58.148 58.200 0.076 0.000 0.921 777 S CB -0.176 63.088 63.200 0.106 0.000 0.772 777 S HN 0.462 nan 8.310 nan 0.000 0.529 778 N N 1.751 120.481 118.700 0.049 0.000 2.479 778 N HA 0.344 5.084 4.740 0.001 0.000 0.261 778 N C -2.566 172.871 175.510 -0.122 0.000 0.979 778 N CA -1.986 51.025 53.050 -0.064 0.000 0.930 778 N CB 2.043 40.335 38.487 -0.326 0.000 1.172 778 N HN -0.112 nan 8.380 nan 0.000 0.499 779 P HA -0.074 nan 4.420 nan 0.000 0.216 779 P C 0.576 177.836 177.300 -0.066 0.000 1.150 779 P CA 1.296 64.360 63.100 -0.060 0.000 0.843 779 P CB 0.459 32.133 31.700 -0.044 0.000 0.787 780 N N -1.121 117.524 118.700 -0.093 0.000 2.142 780 N HA -0.114 4.627 4.740 0.001 0.000 0.186 780 N C 1.716 177.206 175.510 -0.034 0.000 1.023 780 N CA 0.981 53.992 53.050 -0.066 0.000 0.852 780 N CB -0.464 37.969 38.487 -0.091 0.000 0.998 780 N HN -0.001 nan 8.380 nan 0.000 0.424 781 R N 0.731 121.175 120.500 -0.093 0.000 2.073 781 R HA 0.014 4.355 4.340 0.001 0.000 0.234 781 R C 2.222 178.543 176.300 0.035 0.000 1.134 781 R CA 0.755 56.798 56.100 -0.094 0.000 0.952 781 R CB -1.097 28.955 30.300 -0.414 0.000 0.850 781 R HN 0.357 nan 8.270 nan 0.000 0.433 782 I N 0.711 121.274 120.570 -0.011 0.000 2.163 782 I HA -0.293 3.877 4.170 0.001 0.000 0.243 782 I C 2.611 178.782 176.117 0.090 0.000 1.085 782 I CA 1.482 62.845 61.300 0.106 0.000 1.347 782 I CB -0.267 37.747 38.000 0.024 0.000 1.044 782 I HN 0.120 nan 8.210 nan 0.000 0.408 783 R N 0.110 120.633 120.500 0.040 0.000 2.092 783 R HA -0.085 4.255 4.340 0.001 0.000 0.231 783 R C 2.412 178.750 176.300 0.064 0.000 1.119 783 R CA 1.581 57.702 56.100 0.034 0.000 0.970 783 R CB -0.313 29.992 30.300 0.009 0.000 0.864 783 R HN 0.306 nan 8.270 nan 0.000 0.440 784 S N 0.723 116.478 115.700 0.092 0.000 2.436 784 S HA -0.054 4.416 4.470 0.001 0.000 0.228 784 S C 1.606 176.304 174.600 0.164 0.000 1.014 784 S CA 0.625 58.911 58.200 0.142 0.000 0.950 784 S CB 0.057 63.390 63.200 0.221 0.000 0.784 784 S HN 0.141 nan 8.310 nan 0.000 0.504 785 L N 0.876 122.162 121.223 0.105 0.000 2.379 785 L HA 0.427 4.767 4.340 0.001 0.000 0.190 785 L C 1.723 178.646 176.870 0.089 0.000 1.111 785 L CA 1.206 56.065 54.840 0.032 0.000 0.820 785 L CB -0.449 41.449 42.059 -0.268 0.000 1.046 785 L HN 0.165 nan 8.230 nan 0.000 0.485 786 I N -0.340 120.294 120.570 0.106 0.000 2.277 786 I HA -0.040 4.130 4.170 0.001 0.000 0.243 786 I C 2.397 178.609 176.117 0.159 0.000 1.094 786 I CA 1.113 62.516 61.300 0.173 0.000 1.393 786 I CB -0.999 37.054 38.000 0.090 0.000 1.078 786 I HN 0.389 nan 8.210 nan 0.000 0.417 787 G N 0.711 109.559 108.800 0.081 0.000 2.418 787 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 787 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 787 G C 1.871 176.786 174.900 0.024 0.000 1.158 787 G CA 0.846 45.961 45.100 0.025 0.000 0.771 787 G HN 0.467 nan 8.290 nan 0.000 0.545 788 A N 0.361 123.221 122.820 0.067 0.000 1.933 788 A HA 0.069 4.389 4.320 0.001 0.000 0.218 788 A C 2.149 179.772 177.584 0.064 0.000 1.175 788 A CA 1.572 53.642 52.037 0.055 0.000 0.628 788 A CB -0.526 18.520 19.000 0.077 0.000 0.814 788 A HN 0.416 nan 8.150 nan 0.000 0.444 789 F N 0.965 120.908 119.950 -0.012 0.000 2.075 789 F HA -0.053 4.474 4.527 0.001 0.000 0.297 789 F C 2.504 178.278 175.800 -0.042 0.000 1.113 789 F CA 1.530 59.529 58.000 -0.003 0.000 1.218 789 F CB -0.496 38.531 39.000 0.046 0.000 0.984 789 F HN 0.229 nan 8.300 nan 0.000 0.472 790 A N -0.224 122.535 122.820 -0.101 0.000 1.930 790 A HA 0.063 4.383 4.320 0.001 0.000 0.217 790 A C 2.341 179.533 177.584 -0.652 0.000 1.175 790 A CA 1.576 53.224 52.037 -0.649 0.000 0.627 790 A CB -1.591 17.037 19.000 -0.620 0.000 0.815 790 A HN 0.537 nan 8.150 nan 0.000 0.443 791 G N -2.046 106.567 108.800 -0.311 0.000 2.608 791 G HA2 0.173 4.134 3.960 0.001 0.000 0.210 791 G HA3 0.173 4.134 3.960 0.001 0.000 0.210 791 G C 1.383 176.224 174.900 -0.099 0.000 1.139 791 G CA 1.006 45.993 45.100 -0.188 0.000 0.812 791 G HN 0.459 nan 8.290 nan 0.000 0.529 792 S N 0.069 115.714 115.700 -0.091 0.000 2.523 792 S HA 0.155 4.626 4.470 0.001 0.000 0.217 792 S C 0.725 175.287 174.600 -0.064 0.000 0.996 792 S CA -0.356 57.815 58.200 -0.049 0.000 0.921 792 S CB 0.282 63.468 63.200 -0.024 0.000 0.829 792 S HN 0.256 nan 8.310 nan 0.000 0.495 793 N N 2.121 120.738 118.700 -0.137 0.000 2.818 793 N HA 0.258 4.998 4.740 0.001 0.000 0.301 793 N C -2.205 173.203 175.510 -0.169 0.000 1.821 793 N CA -2.082 50.868 53.050 -0.166 0.000 0.930 793 N CB 0.833 39.179 38.487 -0.235 0.000 1.263 793 N HN 0.056 nan 8.380 nan 0.000 0.487 794 P HA -0.121 nan 4.420 nan 0.000 0.219 794 P C 1.099 178.497 177.300 0.163 0.000 1.146 794 P CA 0.823 64.033 63.100 0.183 0.000 0.808 794 P CB 0.347 32.228 31.700 0.302 0.000 0.779 795 A N 0.638 123.488 122.820 0.050 0.000 1.908 795 A HA -0.091 4.229 4.320 0.001 0.000 0.218 795 A C 2.475 180.040 177.584 -0.032 0.000 1.181 795 A CA 2.368 54.416 52.037 0.019 0.000 0.627 795 A CB -1.460 17.532 19.000 -0.013 0.000 0.818 795 A HN 0.261 nan 8.150 nan 0.000 0.445 796 A N -1.627 121.129 122.820 -0.107 0.000 1.898 796 A HA 0.132 4.453 4.320 0.001 0.000 0.214 796 A C 1.991 179.432 177.584 -0.238 0.000 1.183 796 A CA 1.280 53.239 52.037 -0.131 0.000 0.622 796 A CB -0.644 18.312 19.000 -0.072 0.000 0.824 796 A HN 0.649 nan 8.150 nan 0.000 0.444 797 F N 0.669 120.239 119.950 -0.634 0.000 2.161 797 F HA -0.165 4.362 4.527 0.001 0.000 0.300 797 F C 1.738 177.188 175.800 -0.584 0.000 1.089 797 F CA 1.671 59.282 58.000 -0.649 0.000 1.282 797 F CB -0.190 38.404 39.000 -0.676 0.000 1.010 797 F HN 0.368 nan 8.300 nan 0.000 0.485 798 H N 0.508 119.347 119.070 -0.385 0.000 2.568 798 H HA 0.434 4.991 4.556 0.001 0.000 0.302 798 H C 0.767 175.899 175.328 -0.328 0.000 1.065 798 H CA 0.234 56.026 56.048 -0.426 0.000 1.140 798 H CB -0.922 28.729 29.762 -0.185 0.000 1.474 798 H HN 0.195 nan 8.280 nan 0.000 0.545 799 A N 1.055 123.713 122.820 -0.270 0.000 2.587 799 A HA -0.080 4.241 4.320 0.001 0.000 0.235 799 A C 1.415 178.895 177.584 -0.173 0.000 1.044 799 A CA 0.036 51.971 52.037 -0.170 0.000 0.754 799 A CB 0.376 19.286 19.000 -0.150 0.000 0.968 799 A HN 0.495 nan 8.150 nan 0.000 0.509 800 E N 0.984 121.138 120.200 -0.076 0.000 2.204 800 E HA -0.217 4.134 4.350 0.001 0.000 0.195 800 E C 0.906 177.480 176.600 -0.044 0.000 0.990 800 E CA 1.321 57.700 56.400 -0.035 0.000 0.821 800 E CB -0.056 29.640 29.700 -0.006 0.000 0.750 800 E HN 0.931 nan 8.360 nan 0.000 0.477 801 D N -0.387 119.971 120.400 -0.070 0.000 2.371 801 D HA -0.053 4.587 4.640 0.001 0.000 0.221 801 D C 1.360 177.614 176.300 -0.077 0.000 0.986 801 D CA 0.949 54.915 54.000 -0.056 0.000 0.899 801 D CB -0.123 40.648 40.800 -0.049 0.000 0.902 801 D HN 0.218 nan 8.370 nan 0.000 0.530 802 G N 0.030 108.722 108.800 -0.180 0.000 2.159 802 G HA2 -0.372 3.589 3.960 0.001 0.000 0.256 802 G HA3 -0.372 3.589 3.960 0.001 0.000 0.256 802 G C 1.209 175.946 174.900 -0.271 0.000 0.977 802 G CA 1.046 45.998 45.100 -0.246 0.000 0.652 802 G HN 0.661 nan 8.290 nan 0.000 0.531 803 S N -0.316 115.256 115.700 -0.214 0.000 2.399 803 S HA 0.084 4.555 4.470 0.001 0.000 0.231 803 S C 2.484 177.036 174.600 -0.080 0.000 1.022 803 S CA 1.672 59.807 58.200 -0.109 0.000 0.983 803 S CB -0.698 62.453 63.200 -0.081 0.000 0.803 803 S HN 1.550 nan 8.310 nan 0.000 0.480 804 G N 0.655 109.311 108.800 -0.240 0.000 2.418 804 G HA2 -0.108 3.853 3.960 0.001 0.000 0.217 804 G HA3 -0.108 3.853 3.960 0.001 0.000 0.217 804 G C 1.199 176.107 174.900 0.012 0.000 1.158 804 G CA 0.901 45.982 45.100 -0.033 0.000 0.771 804 G HN 0.597 nan 8.290 nan 0.000 0.545 805 Y N 0.816 120.996 120.300 -0.200 0.000 2.181 805 Y HA 0.049 4.599 4.550 0.001 0.000 0.288 805 Y C 2.755 178.688 175.900 0.056 0.000 1.146 805 Y CA 0.228 58.266 58.100 -0.104 0.000 1.164 805 Y CB -0.972 37.377 38.460 -0.186 0.000 0.982 805 Y HN 0.079 nan 8.280 nan 0.000 0.515 806 L N -1.625 119.701 121.223 0.171 0.000 2.046 806 L HA -0.213 4.127 4.340 0.001 0.000 0.208 806 L C 2.355 179.319 176.870 0.158 0.000 1.077 806 L CA 1.424 56.346 54.840 0.136 0.000 0.747 806 L CB -0.738 41.376 42.059 0.091 0.000 0.896 806 L HN 0.163 nan 8.230 nan 0.000 0.432 807 F N 0.840 120.818 119.950 0.045 0.000 2.069 807 F HA -0.272 4.255 4.527 0.001 0.000 0.298 807 F C 2.252 178.099 175.800 0.078 0.000 1.113 807 F CA 1.595 59.609 58.000 0.023 0.000 1.214 807 F CB -0.357 38.617 39.000 -0.043 0.000 0.978 807 F HN -0.091 nan 8.300 nan 0.000 0.474 808 L N -0.054 121.215 121.223 0.076 0.000 2.083 808 L HA -0.151 4.189 4.340 0.001 0.000 0.209 808 L C 2.278 179.115 176.870 -0.054 0.000 1.083 808 L CA 1.492 56.323 54.840 -0.014 0.000 0.752 808 L CB -0.910 41.337 42.059 0.313 0.000 0.899 808 L HN 0.088 nan 8.230 nan 0.000 0.433 809 V N -0.302 119.627 119.914 0.025 0.000 2.332 809 V HA -0.316 3.804 4.120 0.001 0.000 0.248 809 V C 2.463 178.531 176.094 -0.045 0.000 1.055 809 V CA 2.067 64.372 62.300 0.008 0.000 1.038 809 V CB -0.645 31.204 31.823 0.044 0.000 0.651 809 V HN 0.515 nan 8.190 nan 0.000 0.450 810 E N -0.479 119.675 120.200 -0.076 0.000 2.058 810 E HA -0.244 4.107 4.350 0.001 0.000 0.194 810 E C 2.288 178.801 176.600 -0.146 0.000 0.997 810 E CA 1.533 57.877 56.400 -0.094 0.000 0.801 810 E CB -0.226 29.423 29.700 -0.086 0.000 0.746 810 E HN 0.408 nan 8.360 nan 0.000 0.450 811 M N 0.203 119.636 119.600 -0.277 0.000 2.132 811 M HA -0.098 4.382 4.480 0.001 0.000 0.263 811 M C 2.371 178.594 176.300 -0.128 0.000 1.065 811 M CA 1.297 56.447 55.300 -0.249 0.000 1.122 811 M CB -0.771 31.583 32.600 -0.410 0.000 1.365 811 M HN 0.150 nan 8.290 nan 0.000 0.411 812 L N -0.652 120.509 121.223 -0.104 0.000 2.217 812 L HA -0.138 4.203 4.340 0.001 0.000 0.211 812 L C 2.361 179.210 176.870 -0.035 0.000 1.107 812 L CA 0.882 55.689 54.840 -0.055 0.000 0.783 812 L CB -0.879 41.160 42.059 -0.033 0.000 0.919 812 L HN 0.298 nan 8.230 nan 0.000 0.442 813 T N -1.051 113.482 114.554 -0.035 0.000 2.788 813 T HA -0.211 4.140 4.350 0.001 0.000 0.268 813 T C 1.601 176.290 174.700 -0.018 0.000 1.044 813 T CA 1.580 63.669 62.100 -0.018 0.000 1.139 813 T CB -0.182 68.678 68.868 -0.014 0.000 0.867 813 T HN 0.392 nan 8.240 nan 0.000 0.454 814 D N 1.239 121.623 120.400 -0.026 0.000 2.084 814 D HA -0.042 4.598 4.640 0.001 0.000 0.196 814 D C 2.087 178.375 176.300 -0.020 0.000 0.985 814 D CA 0.999 54.988 54.000 -0.018 0.000 0.826 814 D CB -0.283 40.508 40.800 -0.015 0.000 0.978 814 D HN 0.318 nan 8.370 nan 0.000 0.456 815 L N 0.495 121.700 121.223 -0.029 0.000 2.217 815 L HA -0.096 4.244 4.340 0.001 0.000 0.211 815 L C 2.305 179.157 176.870 -0.030 0.000 1.107 815 L CA 0.718 55.539 54.840 -0.032 0.000 0.783 815 L CB -0.573 41.463 42.059 -0.038 0.000 0.919 815 L HN 0.102 nan 8.230 nan 0.000 0.442 816 N N -0.202 118.484 118.700 -0.023 0.000 2.137 816 N HA -0.197 4.544 4.740 0.001 0.000 0.190 816 N C 1.802 177.303 175.510 -0.014 0.000 1.017 816 N CA 1.882 54.924 53.050 -0.014 0.000 0.859 816 N CB 0.078 38.563 38.487 -0.002 0.000 1.002 816 N HN 0.119 nan 8.380 nan 0.000 0.428 817 S N -0.708 114.984 115.700 -0.014 0.000 2.404 817 S HA 0.078 4.548 4.470 0.001 0.000 0.223 817 S C 1.783 176.370 174.600 -0.022 0.000 1.040 817 S CA 0.182 58.375 58.200 -0.013 0.000 0.957 817 S CB -0.092 63.103 63.200 -0.007 0.000 0.826 817 S HN 0.355 nan 8.310 nan 0.000 0.491 818 R N 1.288 121.771 120.500 -0.027 0.000 2.057 818 R HA 0.067 4.407 4.340 0.001 0.000 0.229 818 R C -0.031 176.234 176.300 -0.057 0.000 1.136 818 R CA 1.186 57.264 56.100 -0.036 0.000 0.952 818 R CB 0.140 30.422 30.300 -0.030 0.000 0.848 818 R HN 0.225 nan 8.270 nan 0.000 0.430 819 N N -0.776 117.887 118.700 -0.062 0.000 2.839 819 N HA 0.151 4.891 4.740 0.001 0.000 0.230 819 N C -2.509 172.952 175.510 -0.081 0.000 1.388 819 N CA -1.382 51.615 53.050 -0.088 0.000 0.747 819 N CB 1.714 40.145 38.487 -0.093 0.000 1.411 819 N HN -0.118 nan 8.380 nan 0.000 0.556 820 P HA -0.103 nan 4.420 nan 0.000 0.218 820 P C 1.197 178.452 177.300 -0.076 0.000 1.148 820 P CA 1.203 64.267 63.100 -0.060 0.000 0.822 820 P CB 0.592 32.265 31.700 -0.045 0.000 0.784 821 Q N -0.716 119.019 119.800 -0.109 0.000 2.050 821 Q HA -0.103 4.237 4.340 0.001 0.000 0.202 821 Q C 2.062 177.995 176.000 -0.111 0.000 0.980 821 Q CA 1.344 57.071 55.803 -0.126 0.000 0.840 821 Q CB -0.607 28.023 28.738 -0.181 0.000 0.898 821 Q HN 0.100 nan 8.270 nan 0.000 0.424 822 V N 0.685 120.536 119.914 -0.106 0.000 2.427 822 V HA -0.248 3.873 4.120 0.001 0.000 0.248 822 V C 2.232 178.286 176.094 -0.067 0.000 1.051 822 V CA 1.629 63.878 62.300 -0.085 0.000 1.048 822 V CB -0.922 30.855 31.823 -0.077 0.000 0.666 822 V HN 0.384 nan 8.190 nan 0.000 0.456 823 A N -0.560 122.223 122.820 -0.061 0.000 1.908 823 A HA -0.270 4.051 4.320 0.001 0.000 0.218 823 A C 2.562 180.117 177.584 -0.048 0.000 1.181 823 A CA 2.415 54.422 52.037 -0.049 0.000 0.627 823 A CB -0.826 18.150 19.000 -0.040 0.000 0.818 823 A HN 0.482 nan 8.150 nan 0.000 0.445 824 S N -1.004 114.664 115.700 -0.054 0.000 2.402 824 S HA -0.131 4.340 4.470 0.001 0.000 0.229 824 S C 2.148 176.711 174.600 -0.062 0.000 1.021 824 S CA 1.144 59.311 58.200 -0.054 0.000 0.974 824 S CB -0.343 62.822 63.200 -0.058 0.000 0.800 824 S HN 0.605 nan 8.310 nan 0.000 0.484 825 R N -0.050 120.409 120.500 -0.067 0.000 2.081 825 R HA -0.019 4.322 4.340 0.001 0.000 0.235 825 R C 2.000 178.263 176.300 -0.061 0.000 1.131 825 R CA 1.331 57.392 56.100 -0.065 0.000 0.960 825 R CB -0.459 29.800 30.300 -0.067 0.000 0.856 825 R HN 0.332 nan 8.270 nan 0.000 0.436 826 L N 0.454 121.642 121.223 -0.059 0.000 2.217 826 L HA -0.042 4.298 4.340 0.001 0.000 0.211 826 L C 2.078 178.906 176.870 -0.071 0.000 1.107 826 L CA 1.150 55.951 54.840 -0.066 0.000 0.783 826 L CB -0.203 41.822 42.059 -0.056 0.000 0.919 826 L HN 0.160 nan 8.230 nan 0.000 0.442 827 I N -1.013 119.527 120.570 -0.050 0.000 2.830 827 I HA -0.209 3.962 4.170 0.001 0.000 0.263 827 I C 2.255 178.356 176.117 -0.028 0.000 1.230 827 I CA 0.450 61.732 61.300 -0.029 0.000 1.480 827 I CB 0.223 38.213 38.000 -0.016 0.000 1.095 827 I HN 0.261 nan 8.210 nan 0.000 0.455 828 E N 1.583 121.758 120.200 -0.042 0.000 2.086 828 E HA -0.231 4.120 4.350 0.001 0.000 0.200 828 E C -0.730 175.870 176.600 0.001 0.000 1.012 828 E CA 2.045 58.432 56.400 -0.021 0.000 0.812 828 E CB -1.038 28.646 29.700 -0.027 0.000 0.743 828 E HN 0.365 nan 8.360 nan 0.000 0.453 829 P HA -0.139 nan 4.420 nan 0.000 0.219 829 P C 1.098 178.495 177.300 0.161 0.000 1.146 829 P CA 1.032 64.113 63.100 -0.030 0.000 0.808 829 P CB 0.017 31.446 31.700 -0.452 0.000 0.779 830 L N -0.825 120.482 121.223 0.141 0.000 2.240 830 L HA -0.037 4.304 4.340 0.001 0.000 0.211 830 L C 2.081 179.006 176.870 0.091 0.000 1.106 830 L CA 0.877 55.815 54.840 0.163 0.000 0.793 830 L CB -0.592 41.541 42.059 0.124 0.000 0.927 830 L HN 0.023 nan 8.230 nan 0.000 0.446 831 I N -3.483 117.135 120.570 0.080 0.000 3.564 831 I HA -0.054 4.117 4.170 0.001 0.000 0.294 831 I C 1.623 177.801 176.117 0.103 0.000 1.289 831 I CA 0.491 61.830 61.300 0.064 0.000 1.325 831 I CB -0.172 37.848 38.000 0.035 0.000 1.039 831 I HN 0.031 nan 8.210 nan 0.000 0.474 832 R N 1.644 122.244 120.500 0.167 0.000 2.356 832 R HA 0.185 4.526 4.340 0.001 0.000 0.234 832 R C 1.876 178.365 176.300 0.314 0.000 0.929 832 R CA 0.295 56.538 56.100 0.238 0.000 1.084 832 R CB -0.581 29.919 30.300 0.333 0.000 1.105 832 R HN 0.558 nan 8.270 nan 0.000 0.515 833 L N -0.812 120.538 121.223 0.211 0.000 2.081 833 L HA -0.120 4.221 4.340 0.001 0.000 0.212 833 L C 1.631 178.634 176.870 0.222 0.000 1.080 833 L CA 1.761 56.718 54.840 0.195 0.000 0.754 833 L CB -0.591 41.492 42.059 0.039 0.000 0.893 833 L HN -0.133 nan 8.230 nan 0.000 0.433 834 K N -0.281 120.204 120.400 0.142 0.000 2.442 834 K HA 0.019 4.340 4.320 0.001 0.000 0.198 834 K C 1.782 178.417 176.600 0.058 0.000 1.042 834 K CA 0.351 56.691 56.287 0.089 0.000 0.958 834 K CB -0.065 32.471 32.500 0.059 0.000 0.766 834 K HN 0.300 nan 8.250 nan 0.000 0.474 835 R N -0.094 120.437 120.500 0.052 0.000 2.299 835 R HA 0.052 4.393 4.340 0.001 0.000 0.197 835 R C 0.175 176.231 176.300 -0.406 0.000 0.971 835 R CA 0.605 56.604 56.100 -0.168 0.000 1.030 835 R CB -0.042 30.104 30.300 -0.257 0.000 0.932 835 R HN 0.174 nan 8.270 nan 0.000 0.477 836 Y N 0.312 120.595 120.300 -0.030 0.000 2.602 836 Y HA 0.123 4.674 4.550 0.001 0.000 0.330 836 Y C 0.641 176.522 175.900 -0.031 0.000 1.114 836 Y CA -1.700 56.362 58.100 -0.063 0.000 1.182 836 Y CB 0.700 39.094 38.460 -0.109 0.000 1.305 836 Y HN 0.048 nan 8.280 nan 0.000 0.502 837 D N -0.193 120.285 120.400 0.129 0.000 2.363 837 D HA 0.264 4.904 4.640 0.001 0.000 0.240 837 D C 0.862 177.208 176.300 0.077 0.000 1.236 837 D CA 0.140 54.184 54.000 0.073 0.000 0.927 837 D CB 0.837 41.673 40.800 0.059 0.000 1.150 837 D HN 0.618 nan 8.370 nan 0.000 0.458 838 A N 0.610 123.461 122.820 0.051 0.000 1.933 838 A HA -0.212 4.109 4.320 0.001 0.000 0.218 838 A C 2.006 179.617 177.584 0.044 0.000 1.175 838 A CA 1.189 53.252 52.037 0.043 0.000 0.628 838 A CB -0.607 18.411 19.000 0.031 0.000 0.814 838 A HN 0.555 nan 8.150 nan 0.000 0.444 839 K N -0.488 119.941 120.400 0.049 0.000 2.057 839 K HA -0.107 4.214 4.320 0.001 0.000 0.207 839 K C 2.259 178.899 176.600 0.066 0.000 1.049 839 K CA 1.322 57.639 56.287 0.051 0.000 0.931 839 K CB -0.254 32.276 32.500 0.049 0.000 0.714 839 K HN 0.453 nan 8.250 nan 0.000 0.440 840 R N 1.010 121.563 120.500 0.088 0.000 2.081 840 R HA -0.125 4.216 4.340 0.001 0.000 0.235 840 R C 2.457 178.757 176.300 -0.001 0.000 1.131 840 R CA 1.323 57.486 56.100 0.105 0.000 0.960 840 R CB -0.213 30.173 30.300 0.144 0.000 0.856 840 R HN 0.333 nan 8.270 nan 0.000 0.436 841 Q N 0.335 120.150 119.800 0.025 0.000 2.096 841 Q HA -0.240 4.101 4.340 0.001 0.000 0.204 841 Q C 2.072 178.051 176.000 -0.035 0.000 0.982 841 Q CA 1.573 57.373 55.803 -0.006 0.000 0.850 841 Q CB -0.115 28.641 28.738 0.031 0.000 0.901 841 Q HN 0.445 nan 8.270 nan 0.000 0.422 842 E N 1.156 121.351 120.200 -0.008 0.000 2.058 842 E HA -0.211 4.140 4.350 0.001 0.000 0.194 842 E C 1.758 178.344 176.600 -0.024 0.000 0.997 842 E CA 1.138 57.535 56.400 -0.006 0.000 0.801 842 E CB 0.165 29.873 29.700 0.014 0.000 0.746 842 E HN 0.223 nan 8.360 nan 0.000 0.450 843 K N -0.270 120.118 120.400 -0.021 0.000 2.097 843 K HA -0.092 4.228 4.320 0.001 0.000 0.205 843 K C 2.241 178.737 176.600 -0.174 0.000 1.050 843 K CA 1.496 57.777 56.287 -0.010 0.000 0.938 843 K CB -0.090 32.504 32.500 0.156 0.000 0.718 843 K HN 0.235 nan 8.250 nan 0.000 0.442 844 M N 0.163 119.532 119.600 -0.386 0.000 2.175 844 M HA -0.106 4.375 4.480 0.001 0.000 0.264 844 M C 2.145 178.328 176.300 -0.195 0.000 1.063 844 M CA 1.449 56.459 55.300 -0.483 0.000 1.119 844 M CB -0.178 32.101 32.600 -0.535 0.000 1.377 844 M HN 0.050 nan 8.290 nan 0.000 0.415 845 R N 0.319 120.750 120.500 -0.115 0.000 2.081 845 R HA -0.102 4.239 4.340 0.001 0.000 0.235 845 R C 2.374 178.653 176.300 -0.035 0.000 1.131 845 R CA 1.563 57.631 56.100 -0.054 0.000 0.960 845 R CB -0.550 29.733 30.300 -0.028 0.000 0.856 845 R HN 0.387 nan 8.270 nan 0.000 0.436 846 A N 1.137 123.938 122.820 -0.032 0.000 1.902 846 A HA -0.130 4.191 4.320 0.001 0.000 0.217 846 A C 2.357 179.940 177.584 -0.001 0.000 1.181 846 A CA 1.708 53.742 52.037 -0.006 0.000 0.623 846 A CB -0.587 18.417 19.000 0.007 0.000 0.818 846 A HN 0.412 nan 8.150 nan 0.000 0.443 847 A N -0.262 122.550 122.820 -0.014 0.000 1.877 847 A HA -0.052 4.269 4.320 0.001 0.000 0.216 847 A C 2.174 179.762 177.584 0.006 0.000 1.186 847 A CA 1.539 53.581 52.037 0.008 0.000 0.620 847 A CB -0.626 18.380 19.000 0.009 0.000 0.822 847 A HN 0.468 nan 8.150 nan 0.000 0.443 848 L N -0.606 120.610 121.223 -0.013 0.000 2.083 848 L HA -0.163 4.178 4.340 0.001 0.000 0.209 848 L C 2.623 179.496 176.870 0.006 0.000 1.083 848 L CA 1.205 56.043 54.840 -0.004 0.000 0.752 848 L CB -0.485 41.565 42.059 -0.016 0.000 0.899 848 L HN 0.360 nan 8.230 nan 0.000 0.433 849 E N -0.168 120.036 120.200 0.005 0.000 2.110 849 E HA -0.278 4.073 4.350 0.001 0.000 0.193 849 E C 2.047 178.661 176.600 0.022 0.000 0.988 849 E CA 1.082 57.491 56.400 0.015 0.000 0.804 849 E CB -0.088 29.620 29.700 0.013 0.000 0.745 849 E HN 0.549 nan 8.360 nan 0.000 0.458 850 Q N 0.559 120.372 119.800 0.021 0.000 2.050 850 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 850 Q C 2.368 178.384 176.000 0.027 0.000 0.980 850 Q CA 1.027 56.845 55.803 0.024 0.000 0.840 850 Q CB -0.041 28.712 28.738 0.025 0.000 0.898 850 Q HN 0.229 nan 8.270 nan 0.000 0.424 851 L N 0.571 121.810 121.223 0.026 0.000 2.093 851 L HA -0.175 4.165 4.340 0.001 0.000 0.208 851 L C 2.647 179.542 176.870 0.041 0.000 1.085 851 L CA 1.314 56.172 54.840 0.029 0.000 0.755 851 L CB -0.455 41.619 42.059 0.024 0.000 0.904 851 L HN 0.221 nan 8.230 nan 0.000 0.435 852 K N 0.461 120.888 120.400 0.044 0.000 2.152 852 K HA -0.157 4.163 4.320 0.001 0.000 0.206 852 K C 1.736 178.379 176.600 0.072 0.000 1.048 852 K CA 1.392 57.719 56.287 0.067 0.000 0.933 852 K CB -0.193 32.340 32.500 0.054 0.000 0.721 852 K HN 0.375 nan 8.250 nan 0.000 0.447 853 G N 0.848 109.678 108.800 0.051 0.000 2.985 853 G HA2 0.090 4.050 3.960 0.001 0.000 0.209 853 G HA3 0.090 4.050 3.960 0.001 0.000 0.209 853 G C 0.327 175.249 174.900 0.038 0.000 1.165 853 G CA -0.387 44.739 45.100 0.044 0.000 0.776 853 G HN 0.093 nan 8.290 nan 0.000 0.541 854 L N 1.130 122.377 121.223 0.039 0.000 2.490 854 L HA 0.094 4.434 4.340 0.001 0.000 0.274 854 L C 0.945 177.831 176.870 0.027 0.000 1.201 854 L CA -0.224 54.633 54.840 0.030 0.000 0.869 854 L CB 0.717 42.794 42.059 0.029 0.000 1.123 854 L HN 0.247 nan 8.230 nan 0.000 0.484 855 E N 3.642 123.854 120.200 0.020 0.000 2.414 855 E HA -0.085 4.266 4.350 0.001 0.000 0.263 855 E C 0.022 176.630 176.600 0.013 0.000 1.000 855 E CA 0.063 56.472 56.400 0.015 0.000 0.914 855 E CB 0.153 29.861 29.700 0.013 0.000 0.948 855 E HN 0.651 nan 8.360 nan 0.000 0.444 856 N N 1.661 120.367 118.700 0.009 0.000 2.738 856 N HA -0.248 4.493 4.740 0.001 0.000 0.249 856 N C -0.736 174.781 175.510 0.012 0.000 1.047 856 N CA 0.006 53.060 53.050 0.006 0.000 0.707 856 N CB -0.991 37.500 38.487 0.006 0.000 0.937 856 N HN 0.329 nan 8.380 nan 0.000 0.545 857 L N 1.246 122.481 121.223 0.019 0.000 2.513 857 L HA 0.165 4.505 4.340 0.001 0.000 0.272 857 L C 0.743 177.635 176.870 0.036 0.000 1.187 857 L CA 0.039 54.902 54.840 0.039 0.000 0.895 857 L CB 0.588 42.691 42.059 0.074 0.000 1.147 857 L HN 0.300 nan 8.230 nan 0.000 0.483 858 S N 2.908 118.632 115.700 0.041 0.000 2.579 858 S HA 0.290 4.760 4.470 0.001 0.000 0.275 858 S C 1.359 176.004 174.600 0.075 0.000 1.345 858 S CA -0.254 57.968 58.200 0.038 0.000 1.031 858 S CB 1.073 64.286 63.200 0.022 0.000 0.892 858 S HN 0.901 nan 8.310 nan 0.000 0.529 859 G N 1.420 110.258 108.800 0.062 0.000 2.442 859 G HA2 -0.205 3.755 3.960 0.001 0.000 0.219 859 G HA3 -0.205 3.755 3.960 0.001 0.000 0.219 859 G C 0.725 175.709 174.900 0.140 0.000 1.141 859 G CA 1.032 46.199 45.100 0.111 0.000 0.763 859 G HN 0.803 nan 8.290 nan 0.000 0.554 860 D N 0.530 120.974 120.400 0.074 0.000 2.106 860 D HA -0.123 4.518 4.640 0.001 0.000 0.191 860 D C 2.478 178.804 176.300 0.043 0.000 0.997 860 D CA 0.812 54.837 54.000 0.041 0.000 0.834 860 D CB -0.277 40.522 40.800 -0.003 0.000 0.956 860 D HN 0.316 nan 8.370 nan 0.000 0.448 861 L N -0.767 120.489 121.223 0.055 0.000 2.131 861 L HA -0.094 4.246 4.340 0.001 0.000 0.206 861 L C 2.280 179.194 176.870 0.073 0.000 1.087 861 L CA 0.621 55.489 54.840 0.045 0.000 0.767 861 L CB -0.443 41.640 42.059 0.040 0.000 0.917 861 L HN 0.115 nan 8.230 nan 0.000 0.441 862 Y N 1.482 121.788 120.300 0.010 0.000 2.114 862 Y HA -0.362 4.188 4.550 0.001 0.000 0.282 862 Y C 2.614 178.530 175.900 0.027 0.000 1.165 862 Y CA 2.249 60.362 58.100 0.020 0.000 1.148 862 Y CB -0.197 38.278 38.460 0.025 0.000 0.972 862 Y HN 0.231 nan 8.280 nan 0.000 0.504 863 E N 0.073 120.285 120.200 0.020 0.000 2.058 863 E HA -0.237 4.114 4.350 0.001 0.000 0.194 863 E C 2.083 178.615 176.600 -0.112 0.000 0.997 863 E CA 1.761 58.127 56.400 -0.058 0.000 0.801 863 E CB -0.106 29.647 29.700 0.087 0.000 0.746 863 E HN 0.524 nan 8.360 nan 0.000 0.450 864 K N 0.034 120.390 120.400 -0.075 0.000 2.062 864 K HA -0.060 4.261 4.320 0.001 0.000 0.205 864 K C 2.265 178.819 176.600 -0.076 0.000 1.051 864 K CA 1.157 57.403 56.287 -0.068 0.000 0.941 864 K CB -0.078 32.389 32.500 -0.054 0.000 0.719 864 K HN 0.225 nan 8.250 nan 0.000 0.440 865 I N 1.537 122.053 120.570 -0.091 0.000 2.179 865 I HA -0.300 3.870 4.170 0.001 0.000 0.242 865 I C 2.680 178.722 176.117 -0.125 0.000 1.088 865 I CA 1.744 62.994 61.300 -0.083 0.000 1.357 865 I CB -0.741 37.226 38.000 -0.056 0.000 1.051 865 I HN 0.333 nan 8.210 nan 0.000 0.409 866 T N -1.051 113.352 114.554 -0.251 0.000 2.746 866 T HA -0.190 4.160 4.350 0.001 0.000 0.267 866 T C 1.843 176.471 174.700 -0.120 0.000 1.039 866 T CA 1.092 63.044 62.100 -0.246 0.000 1.142 866 T CB -0.392 68.195 68.868 -0.468 0.000 0.866 866 T HN 0.288 nan 8.240 nan 0.000 0.444 867 K N 1.564 121.907 120.400 -0.095 0.000 2.057 867 K HA 0.124 4.444 4.320 0.001 0.000 0.207 867 K C 2.789 179.383 176.600 -0.011 0.000 1.049 867 K CA 1.224 57.495 56.287 -0.027 0.000 0.931 867 K CB -0.465 32.034 32.500 -0.002 0.000 0.714 867 K HN 0.467 nan 8.250 nan 0.000 0.440 868 A N 0.987 123.796 122.820 -0.019 0.000 1.969 868 A HA -0.065 4.256 4.320 0.001 0.000 0.218 868 A C 1.909 179.492 177.584 -0.002 0.000 1.169 868 A CA 1.113 53.150 52.037 -0.001 0.000 0.635 868 A CB -0.307 18.692 19.000 -0.002 0.000 0.810 868 A HN 0.172 nan 8.150 nan 0.000 0.445 869 L N -0.943 120.271 121.223 -0.015 0.000 2.567 869 L HA 0.220 4.560 4.340 0.001 0.000 0.225 869 L C 1.578 178.448 176.870 -0.001 0.000 1.119 869 L CA -0.048 54.786 54.840 -0.009 0.000 0.871 869 L CB -0.331 41.719 42.059 -0.016 0.000 1.036 869 L HN 0.404 nan 8.230 nan 0.000 0.459 870 A N 0.000 122.820 122.820 0.001 0.000 2.254 870 A HA 0.000 4.321 4.320 0.001 0.000 0.244 870 A CA 0.000 52.044 52.037 0.012 0.000 0.836 870 A CB 0.000 19.010 19.000 0.017 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486