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 3b2x_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 0.000 177.271 177.300 -0.048 0.000 1.155 5 P CA 0.000 62.990 63.100 -0.184 0.000 0.800 5 P CB 0.000 31.575 31.700 -0.209 0.000 0.726 6 Q N 1.124 120.934 119.800 0.015 0.000 2.241 6 Q HA 0.781 5.122 4.340 0.002 0.000 0.254 6 Q C -0.311 175.729 176.000 0.067 0.000 0.917 6 Q CA -0.171 55.671 55.803 0.065 0.000 0.919 6 Q CB 1.645 30.426 28.738 0.072 0.000 1.237 6 Q HN 0.651 nan 8.270 nan 0.000 0.434 7 A N 3.540 126.402 122.820 0.069 0.000 2.388 7 A HA 0.420 4.741 4.320 0.002 0.000 0.257 7 A C -0.450 177.051 177.584 -0.139 0.000 1.095 7 A CA -0.214 51.780 52.037 -0.072 0.000 0.791 7 A CB 0.376 19.277 19.000 -0.164 0.000 1.029 7 A HN 0.628 nan 8.150 nan 0.000 0.489 8 K N 0.748 121.032 120.400 -0.194 0.000 2.203 8 K HA 0.535 4.856 4.320 0.002 0.000 0.251 8 K C -1.754 174.702 176.600 -0.240 0.000 0.944 8 K CA -0.257 56.002 56.287 -0.048 0.000 0.829 8 K CB 1.722 34.320 32.500 0.163 0.000 1.125 8 K HN 0.675 nan 8.250 nan 0.000 0.430 9 Y N 0.461 120.750 120.300 -0.020 0.000 2.409 9 Y HA 0.264 4.815 4.550 0.002 0.000 0.343 9 Y C 1.332 176.698 175.900 -0.889 0.000 0.973 9 Y CA -0.788 57.024 58.100 -0.481 0.000 1.064 9 Y CB 1.844 39.862 38.460 -0.738 0.000 1.207 9 Y HN 0.583 nan 8.280 nan 0.000 0.452 10 R N 1.387 121.091 120.500 -1.326 0.000 2.103 10 R HA -0.188 4.153 4.340 0.002 0.000 0.242 10 R C 1.825 177.878 176.300 -0.410 0.000 1.142 10 R CA 2.186 57.520 56.100 -1.277 0.000 0.960 10 R CB -0.285 29.464 30.300 -0.919 0.000 0.858 10 R HN 0.959 nan 8.270 nan 0.000 0.439 11 H N -2.007 116.975 119.070 -0.147 0.000 2.545 11 H HA -0.019 4.538 4.556 0.002 0.000 0.282 11 H C 0.334 175.675 175.328 0.022 0.000 1.020 11 H CA 0.603 56.630 56.048 -0.035 0.000 1.243 11 H CB 0.082 29.826 29.762 -0.031 0.000 1.377 11 H HN 0.237 nan 8.280 nan 0.000 0.581 12 D N 0.632 121.063 120.400 0.052 0.000 2.340 12 D HA -0.049 4.592 4.640 0.002 0.000 0.220 12 D C 0.160 176.527 176.300 0.112 0.000 1.039 12 D CA -0.115 53.964 54.000 0.131 0.000 0.866 12 D CB -0.436 40.436 40.800 0.120 0.000 0.913 12 D HN 0.390 nan 8.370 nan 0.000 0.523 13 Y N 2.608 122.931 120.300 0.038 0.000 2.810 13 Y HA -0.021 4.530 4.550 0.002 0.000 0.332 13 Y C 0.110 176.046 175.900 0.061 0.000 1.243 13 Y CA 0.301 58.441 58.100 0.065 0.000 1.537 13 Y CB 0.270 38.764 38.460 0.056 0.000 1.265 13 Y HN -0.264 nan 8.280 nan 0.000 0.572 14 R N 4.497 124.469 120.500 -0.880 0.000 2.673 14 R HA 0.575 4.916 4.340 0.002 0.000 0.281 14 R C -0.776 175.026 176.300 -0.829 0.000 0.991 14 R CA -0.727 54.987 56.100 -0.643 0.000 0.896 14 R CB 1.416 31.572 30.300 -0.240 0.000 1.201 14 R HN 0.822 nan 8.270 nan 0.000 0.457 15 A N 4.110 126.677 122.820 -0.423 0.000 2.520 15 A HA 0.284 4.605 4.320 0.002 0.000 0.235 15 A C -1.681 175.819 177.584 -0.139 0.000 1.065 15 A CA -0.537 51.386 52.037 -0.189 0.000 0.764 15 A CB -0.586 18.387 19.000 -0.045 0.000 1.002 15 A HN 0.410 nan 8.150 nan 0.000 0.502 16 P HA 0.144 nan 4.420 nan 0.000 0.275 16 P C -0.315 177.009 177.300 0.040 0.000 1.228 16 P CA -0.286 62.816 63.100 0.004 0.000 0.786 16 P CB 0.757 32.486 31.700 0.047 0.000 0.927 17 D N 0.372 120.821 120.400 0.081 0.000 2.219 17 D HA -0.079 4.562 4.640 0.002 0.000 0.205 17 D C 0.079 176.324 176.300 -0.092 0.000 0.970 17 D CA 1.776 55.795 54.000 0.032 0.000 0.851 17 D CB -0.110 40.757 40.800 0.113 0.000 0.943 17 D HN 0.436 nan 8.370 nan 0.000 0.488 18 Y N -0.157 120.196 120.300 0.087 0.000 2.477 18 Y HA 0.353 4.904 4.550 0.002 0.000 0.347 18 Y C 0.387 176.339 175.900 0.086 0.000 0.981 18 Y CA -0.963 57.189 58.100 0.087 0.000 1.033 18 Y CB 1.575 40.062 38.460 0.046 0.000 1.245 18 Y HN -0.362 nan 8.280 nan 0.000 0.455 19 Q N 2.310 122.268 119.800 0.265 0.000 2.257 19 Q HA 0.588 4.929 4.340 0.002 0.000 0.262 19 Q C -1.070 174.943 176.000 0.021 0.000 0.997 19 Q CA -0.768 55.121 55.803 0.144 0.000 0.873 19 Q CB 3.033 31.898 28.738 0.213 0.000 1.312 19 Q HN 0.700 nan 8.270 nan 0.000 0.450 20 I N 0.724 121.272 120.570 -0.037 0.000 2.433 20 I HA 0.202 4.373 4.170 0.002 0.000 0.292 20 I C 1.178 177.278 176.117 -0.028 0.000 1.001 20 I CA -0.158 61.091 61.300 -0.085 0.000 1.119 20 I CB 2.077 39.986 38.000 -0.151 0.000 1.289 20 I HN 0.727 nan 8.210 nan 0.000 0.438 21 T N -0.301 114.225 114.554 -0.046 0.000 3.034 21 T HA 0.259 4.610 4.350 0.002 0.000 0.248 21 T C 0.107 174.790 174.700 -0.028 0.000 1.040 21 T CA 0.220 62.308 62.100 -0.020 0.000 1.107 21 T CB 0.027 68.879 68.868 -0.027 0.000 0.932 21 T HN 0.518 nan 8.240 nan 0.000 0.474 22 D N -0.024 120.336 120.400 -0.066 0.000 2.947 22 D HA 0.632 5.273 4.640 0.002 0.000 0.224 22 D C -1.723 174.490 176.300 -0.146 0.000 1.230 22 D CA -0.453 53.493 54.000 -0.090 0.000 0.871 22 D CB 2.611 43.372 40.800 -0.064 0.000 1.671 22 D HN 0.344 nan 8.370 nan 0.000 0.507 23 I N 0.993 121.410 120.570 -0.255 0.000 2.533 23 I HA 0.378 4.549 4.170 0.002 0.000 0.290 23 I C -1.600 174.382 176.117 -0.225 0.000 1.056 23 I CA -0.622 60.501 61.300 -0.294 0.000 1.057 23 I CB 1.536 39.237 38.000 -0.497 0.000 1.240 23 I HN 0.224 nan 8.210 nan 0.000 0.423 24 D N 8.753 129.080 120.400 -0.123 0.000 2.414 24 D HA 0.424 5.065 4.640 0.002 0.000 0.232 24 D C -0.660 175.610 176.300 -0.050 0.000 1.070 24 D CA -0.042 53.930 54.000 -0.047 0.000 0.839 24 D CB 2.278 43.058 40.800 -0.033 0.000 1.079 24 D HN 0.381 nan 8.370 nan 0.000 0.521 25 L N 1.419 122.651 121.223 0.016 0.000 2.322 25 L HA 0.458 4.799 4.340 0.002 0.000 0.279 25 L C 0.382 177.267 176.870 0.025 0.000 1.036 25 L CA -0.303 54.523 54.840 -0.025 0.000 0.807 25 L CB 1.686 43.799 42.059 0.089 0.000 1.226 25 L HN 0.144 nan 8.230 nan 0.000 0.433 26 T N 2.135 116.613 114.554 -0.126 0.000 2.841 26 T HA 0.548 4.899 4.350 0.002 0.000 0.285 26 T C -0.858 173.727 174.700 -0.191 0.000 0.991 26 T CA -0.350 61.722 62.100 -0.046 0.000 0.966 26 T CB 0.824 69.643 68.868 -0.083 0.000 0.962 26 T HN 0.065 nan 8.240 nan 0.000 0.438 27 F N 2.081 122.048 119.950 0.029 0.000 2.426 27 F HA 0.352 4.880 4.527 0.002 0.000 0.348 27 F C 0.507 176.310 175.800 0.005 0.000 1.124 27 F CA -1.141 56.868 58.000 0.015 0.000 1.008 27 F CB 1.229 40.253 39.000 0.040 0.000 1.139 27 F HN 0.396 nan 8.300 nan 0.000 0.452 28 D N 5.017 125.489 120.400 0.120 0.000 2.441 28 D HA 0.241 4.882 4.640 0.002 0.000 0.221 28 D C -0.441 175.918 176.300 0.099 0.000 1.156 28 D CA -0.026 54.028 54.000 0.088 0.000 0.896 28 D CB 0.414 41.236 40.800 0.036 0.000 1.028 28 D HN 0.415 nan 8.370 nan 0.000 0.509 29 L N 2.967 124.245 121.223 0.091 0.000 2.349 29 L HA 0.342 4.683 4.340 0.002 0.000 0.275 29 L C 0.156 177.038 176.870 0.019 0.000 1.115 29 L CA -0.066 54.785 54.840 0.018 0.000 0.820 29 L CB 0.975 42.952 42.059 -0.137 0.000 1.135 29 L HN 0.381 nan 8.230 nan 0.000 0.445 30 D N 1.278 121.691 120.400 0.022 0.000 2.769 30 D HA 0.366 5.007 4.640 0.002 0.000 0.219 30 D C 0.252 176.592 176.300 0.065 0.000 1.245 30 D CA -0.218 53.828 54.000 0.078 0.000 0.801 30 D CB 1.597 42.447 40.800 0.085 0.000 1.598 30 D HN 0.440 nan 8.370 nan 0.000 0.485 31 A N 2.127 125.013 122.820 0.110 0.000 1.933 31 A HA -0.177 4.144 4.320 0.002 0.000 0.218 31 A C 1.718 179.337 177.584 0.058 0.000 1.175 31 A CA 1.377 53.465 52.037 0.086 0.000 0.628 31 A CB -0.290 18.778 19.000 0.113 0.000 0.814 31 A HN 0.600 nan 8.150 nan 0.000 0.444 32 Q N -0.986 118.849 119.800 0.057 0.000 2.123 32 Q HA 0.100 4.441 4.340 0.002 0.000 0.196 32 Q C 0.730 176.752 176.000 0.037 0.000 0.958 32 Q CA 1.113 56.941 55.803 0.042 0.000 0.841 32 Q CB 0.076 28.837 28.738 0.039 0.000 0.915 32 Q HN 0.661 nan 8.270 nan 0.000 0.455 33 K N 0.669 121.093 120.400 0.041 0.000 2.716 33 K HA 0.275 4.596 4.320 0.002 0.000 0.249 33 K C -1.401 175.222 176.600 0.038 0.000 1.004 33 K CA 0.052 56.359 56.287 0.033 0.000 0.968 33 K CB 1.290 33.807 32.500 0.028 0.000 1.214 33 K HN -0.175 nan 8.250 nan 0.000 0.476 34 T N 2.757 117.334 114.554 0.039 0.000 2.799 34 T HA 0.302 4.653 4.350 0.002 0.000 0.286 34 T C -0.560 174.154 174.700 0.024 0.000 0.973 34 T CA -0.447 61.685 62.100 0.055 0.000 1.035 34 T CB 1.252 70.178 68.868 0.097 0.000 0.932 34 T HN 0.225 nan 8.240 nan 0.000 0.469 35 V N 4.611 124.530 119.914 0.009 0.000 2.370 35 V HA 0.410 4.531 4.120 0.002 0.000 0.279 35 V C -0.046 175.978 176.094 -0.116 0.000 1.029 35 V CA -0.704 61.569 62.300 -0.044 0.000 0.870 35 V CB 1.483 33.286 31.823 -0.033 0.000 0.984 35 V HN 0.665 nan 8.190 nan 0.000 0.451 36 V N 4.026 123.819 119.914 -0.203 0.000 2.398 36 V HA 0.495 4.616 4.120 0.002 0.000 0.286 36 V C 0.232 176.146 176.094 -0.299 0.000 1.026 36 V CA -0.291 61.767 62.300 -0.405 0.000 0.868 36 V CB 1.920 33.439 31.823 -0.508 0.000 0.982 36 V HN 0.921 nan 8.190 nan 0.000 0.443 37 T N 4.243 118.612 114.554 -0.308 0.000 2.786 37 T HA 0.725 5.076 4.350 0.002 0.000 0.283 37 T C -0.143 174.425 174.700 -0.220 0.000 0.992 37 T CA -0.319 61.655 62.100 -0.209 0.000 0.954 37 T CB 1.491 70.264 68.868 -0.158 0.000 0.934 37 T HN 0.917 nan 8.240 nan 0.000 0.440 38 A N 3.087 125.809 122.820 -0.165 0.000 2.332 38 A HA 0.712 5.033 4.320 0.002 0.000 0.300 38 A C -0.656 176.880 177.584 -0.080 0.000 1.153 38 A CA -0.646 51.312 52.037 -0.132 0.000 0.764 38 A CB 0.973 19.906 19.000 -0.111 0.000 1.174 38 A HN 0.666 nan 8.150 nan 0.000 0.467 39 V N 2.703 122.569 119.914 -0.080 0.000 2.313 39 V HA 0.463 4.584 4.120 0.002 0.000 0.278 39 V C 0.099 176.154 176.094 -0.065 0.000 1.017 39 V CA -0.258 62.002 62.300 -0.065 0.000 0.823 39 V CB 1.128 32.909 31.823 -0.070 0.000 1.010 39 V HN 0.842 nan 8.190 nan 0.000 0.443 40 S N 4.291 119.960 115.700 -0.052 0.000 2.472 40 S HA 0.521 4.992 4.470 0.002 0.000 0.303 40 S C -0.606 173.922 174.600 -0.120 0.000 1.099 40 S CA -0.782 57.378 58.200 -0.065 0.000 1.077 40 S CB 1.626 64.818 63.200 -0.013 0.000 1.031 40 S HN 0.659 nan 8.310 nan 0.000 0.487 41 Q N 1.936 121.652 119.800 -0.140 0.000 2.322 41 Q HA 0.621 4.962 4.340 0.002 0.000 0.256 41 Q C -0.411 175.424 176.000 -0.274 0.000 0.960 41 Q CA -0.265 55.422 55.803 -0.193 0.000 0.934 41 Q CB 1.335 29.994 28.738 -0.132 0.000 1.200 41 Q HN 0.718 nan 8.270 nan 0.000 0.435 42 A N 2.034 124.546 122.820 -0.513 0.000 2.356 42 A HA 0.844 5.165 4.320 0.002 0.000 0.323 42 A C -0.498 176.741 177.584 -0.575 0.000 1.119 42 A CA -0.711 50.963 52.037 -0.605 0.000 0.790 42 A CB 1.455 19.892 19.000 -0.939 0.000 1.273 42 A HN 0.520 nan 8.150 nan 0.000 0.452 43 V N -0.737 119.002 119.914 -0.292 0.000 2.623 43 V HA 0.707 4.828 4.120 0.002 0.000 0.304 43 V C -0.394 175.554 176.094 -0.242 0.000 1.054 43 V CA -0.885 61.264 62.300 -0.252 0.000 0.882 43 V CB 1.332 32.997 31.823 -0.263 0.000 1.002 43 V HN 1.040 nan 8.190 nan 0.000 0.424 44 R N 2.527 122.865 120.500 -0.271 0.000 2.340 44 R HA 0.460 4.802 4.340 0.002 0.000 0.300 44 R C 0.206 176.173 176.300 -0.555 0.000 1.069 44 R CA -0.329 55.441 56.100 -0.549 0.000 0.984 44 R CB 0.566 30.569 30.300 -0.496 0.000 1.003 44 R HN 0.956 nan 8.270 nan 0.000 0.459 45 H N 2.093 120.985 119.070 -0.296 0.000 2.855 45 H HA 0.149 4.706 4.556 0.002 0.000 0.259 45 H C 0.915 176.149 175.328 -0.157 0.000 0.972 45 H CA 0.600 56.550 56.048 -0.163 0.000 1.213 45 H CB 1.038 30.738 29.762 -0.103 0.000 1.451 45 H HN 0.746 nan 8.280 nan 0.000 0.484 46 G N 0.628 109.351 108.800 -0.128 0.000 2.494 46 G HA2 0.417 4.378 3.960 0.002 0.000 0.270 46 G HA3 0.417 4.378 3.960 0.002 0.000 0.270 46 G C -0.186 174.658 174.900 -0.093 0.000 1.423 46 G CA 0.077 45.122 45.100 -0.092 0.000 1.055 46 G HN 0.319 nan 8.290 nan 0.000 0.536 47 A N -0.707 122.084 122.820 -0.048 0.000 2.462 47 A HA 0.412 4.733 4.320 0.002 0.000 0.243 47 A C 1.853 179.423 177.584 -0.024 0.000 1.076 47 A CA 0.692 52.715 52.037 -0.024 0.000 0.773 47 A CB 0.248 19.249 19.000 0.001 0.000 1.010 47 A HN 1.463 nan 8.150 nan 0.000 0.493 48 S N 0.892 116.585 115.700 -0.011 0.000 2.419 48 S HA -0.193 4.278 4.470 0.002 0.000 0.235 48 S C 0.857 175.482 174.600 0.042 0.000 1.019 48 S CA 1.501 59.706 58.200 0.008 0.000 0.982 48 S CB -0.394 62.813 63.200 0.011 0.000 0.789 48 S HN 0.848 nan 8.310 nan 0.000 0.490 49 D N 1.573 121.998 120.400 0.042 0.000 2.340 49 D HA 0.373 5.014 4.640 0.002 0.000 0.217 49 D C 0.404 176.753 176.300 0.082 0.000 1.081 49 D CA 0.134 54.169 54.000 0.058 0.000 0.842 49 D CB -0.283 40.541 40.800 0.040 0.000 0.934 49 D HN 0.522 nan 8.370 nan 0.000 0.511 50 A N 1.883 124.763 122.820 0.099 0.000 2.366 50 A HA 0.498 4.819 4.320 0.002 0.000 0.272 50 A C -2.260 175.482 177.584 0.263 0.000 1.135 50 A CA -1.113 51.013 52.037 0.148 0.000 0.804 50 A CB 0.300 19.374 19.000 0.123 0.000 1.064 50 A HN 0.091 nan 8.150 nan 0.000 0.499 51 P HA 0.275 nan 4.420 nan 0.000 0.277 51 P C -0.617 176.746 177.300 0.105 0.000 1.240 51 P CA -0.508 62.676 63.100 0.141 0.000 0.798 51 P CB 0.902 32.649 31.700 0.078 0.000 0.979 52 L N 2.564 123.644 121.223 -0.238 0.000 2.315 52 L HA 0.330 4.671 4.340 0.002 0.000 0.283 52 L C 0.343 177.091 176.870 -0.205 0.000 1.089 52 L CA -0.032 54.472 54.840 -0.560 0.000 0.833 52 L CB -0.190 41.339 42.059 -0.884 0.000 1.170 52 L HN 0.315 nan 8.230 nan 0.000 0.442 53 R N 5.579 126.026 120.500 -0.088 0.000 2.295 53 R HA 0.616 4.957 4.340 0.002 0.000 0.324 53 R C -1.530 174.762 176.300 -0.013 0.000 0.968 53 R CA -0.574 55.512 56.100 -0.022 0.000 0.837 53 R CB 0.693 31.014 30.300 0.035 0.000 1.133 53 R HN 0.762 nan 8.270 nan 0.000 0.450 54 L N 3.935 125.155 121.223 -0.005 0.000 2.329 54 L HA 0.439 4.780 4.340 0.002 0.000 0.279 54 L C -0.204 176.774 176.870 0.179 0.000 1.014 54 L CA -1.128 53.752 54.840 0.066 0.000 0.814 54 L CB 1.902 43.990 42.059 0.049 0.000 1.257 54 L HN 0.613 nan 8.230 nan 0.000 0.424 55 N N 1.828 120.656 118.700 0.214 0.000 2.529 55 N HA 0.574 5.315 4.740 0.002 0.000 0.278 55 N C -0.179 175.471 175.510 0.234 0.000 1.146 55 N CA -0.124 53.055 53.050 0.216 0.000 0.980 55 N CB 2.047 40.648 38.487 0.190 0.000 1.124 55 N HN 0.798 nan 8.380 nan 0.000 0.458 56 G N 0.492 109.364 108.800 0.120 0.000 2.755 56 G HA2 0.353 4.314 3.960 0.002 0.000 0.297 56 G HA3 0.353 4.314 3.960 0.002 0.000 0.297 56 G C -1.471 173.271 174.900 -0.263 0.000 1.441 56 G CA -0.481 44.462 45.100 -0.261 0.000 0.964 56 G HN 0.305 nan 8.290 nan 0.000 0.540 57 E N 1.673 121.607 120.200 -0.444 0.000 2.263 57 E HA 0.316 4.667 4.350 0.002 0.000 0.268 57 E C -0.946 175.421 176.600 -0.388 0.000 0.884 57 E CA -0.602 55.520 56.400 -0.463 0.000 0.766 57 E CB 2.119 31.298 29.700 -0.869 0.000 1.196 57 E HN 0.613 nan 8.360 nan 0.000 0.416 58 D N 1.825 122.105 120.400 -0.201 0.000 2.689 58 D HA -0.198 4.443 4.640 0.002 0.000 0.237 58 D C -0.389 175.835 176.300 -0.126 0.000 1.148 58 D CA 0.929 54.866 54.000 -0.104 0.000 0.656 58 D CB -1.119 39.666 40.800 -0.026 0.000 1.050 58 D HN 0.313 nan 8.370 nan 0.000 0.426 59 L N -0.377 120.734 121.223 -0.186 0.000 2.334 59 L HA 0.406 4.747 4.340 0.002 0.000 0.276 59 L C 0.784 177.602 176.870 -0.086 0.000 1.014 59 L CA -0.846 53.871 54.840 -0.205 0.000 0.815 59 L CB 2.024 43.806 42.059 -0.462 0.000 1.268 59 L HN -0.171 nan 8.230 nan 0.000 0.428 60 K N 3.178 123.547 120.400 -0.053 0.000 2.292 60 K HA 0.341 4.662 4.320 0.002 0.000 0.270 60 K C -0.866 175.741 176.600 0.011 0.000 1.062 60 K CA -0.757 55.529 56.287 -0.001 0.000 0.916 60 K CB 0.968 33.468 32.500 0.001 0.000 1.166 60 K HN 0.408 nan 8.250 nan 0.000 0.458 61 L N 5.424 126.683 121.223 0.059 0.000 2.410 61 L HA 0.045 4.386 4.340 0.002 0.000 0.273 61 L C 0.342 177.216 176.870 0.007 0.000 1.152 61 L CA 0.469 55.336 54.840 0.045 0.000 0.855 61 L CB 1.359 43.436 42.059 0.030 0.000 1.129 61 L HN 0.601 nan 8.230 nan 0.000 0.463 62 V N 2.511 122.417 119.914 -0.014 0.000 2.690 62 V HA 0.284 4.405 4.120 0.002 0.000 0.240 62 V C 0.554 176.648 176.094 -0.002 0.000 1.078 62 V CA 1.049 63.349 62.300 0.001 0.000 1.102 62 V CB 0.205 32.027 31.823 -0.001 0.000 0.800 62 V HN 0.929 nan 8.190 nan 0.000 0.479 63 S N -1.362 114.319 115.700 -0.032 0.000 2.567 63 S HA 0.701 5.172 4.470 0.002 0.000 0.270 63 S C -1.409 173.134 174.600 -0.094 0.000 1.152 63 S CA -0.632 57.551 58.200 -0.027 0.000 0.835 63 S CB 2.264 65.540 63.200 0.126 0.000 1.115 63 S HN -0.039 nan 8.310 nan 0.000 0.459 64 V N 2.918 122.724 119.914 -0.180 0.000 2.525 64 V HA 0.569 4.690 4.120 0.002 0.000 0.299 64 V C -0.862 175.151 176.094 -0.134 0.000 1.034 64 V CA -0.396 61.779 62.300 -0.208 0.000 0.863 64 V CB 1.360 32.870 31.823 -0.521 0.000 0.999 64 V HN 0.985 nan 8.190 nan 0.000 0.423 65 H N 4.935 123.976 119.070 -0.048 0.000 2.690 65 H HA 0.588 5.145 4.556 0.002 0.000 0.368 65 H C -1.262 174.016 175.328 -0.083 0.000 1.150 65 H CA -0.798 55.257 56.048 0.011 0.000 1.174 65 H CB 2.977 32.747 29.762 0.013 0.000 1.684 65 H HN 0.337 nan 8.280 nan 0.000 0.538 66 I N 2.705 123.279 120.570 0.006 0.000 2.410 66 I HA 0.034 4.205 4.170 0.002 0.000 0.286 66 I C 0.178 176.292 176.117 -0.006 0.000 1.009 66 I CA -0.685 60.491 61.300 -0.207 0.000 1.111 66 I CB 1.053 38.495 38.000 -0.931 0.000 1.262 66 I HN 0.687 nan 8.210 nan 0.000 0.443 67 N N 5.282 124.006 118.700 0.040 0.000 2.716 67 N HA -0.218 4.523 4.740 0.002 0.000 0.250 67 N C 0.157 175.721 175.510 0.090 0.000 1.033 67 N CA 1.150 54.241 53.050 0.067 0.000 0.727 67 N CB -0.757 37.774 38.487 0.073 0.000 0.950 67 N HN 0.691 nan 8.380 nan 0.000 0.541 68 D N -2.395 118.069 120.400 0.106 0.000 3.046 68 D HA -0.230 4.411 4.640 0.002 0.000 0.210 68 D C 0.151 176.614 176.300 0.271 0.000 1.124 68 D CA 1.660 55.739 54.000 0.132 0.000 0.986 68 D CB -0.748 40.082 40.800 0.050 0.000 1.118 68 D HN 0.751 nan 8.370 nan 0.000 0.416 69 E N 1.190 121.547 120.200 0.262 0.000 2.167 69 E HA 0.394 4.745 4.350 0.002 0.000 0.284 69 E C -2.674 174.057 176.600 0.219 0.000 1.016 69 E CA -2.033 54.521 56.400 0.257 0.000 0.817 69 E CB 1.065 30.925 29.700 0.268 0.000 1.080 69 E HN -0.131 nan 8.360 nan 0.000 0.397 70 P HA -0.049 nan 4.420 nan 0.000 0.263 70 P C -1.004 176.333 177.300 0.062 0.000 1.195 70 P CA 0.180 63.120 63.100 -0.266 0.000 0.762 70 P CB 0.255 31.841 31.700 -0.190 0.000 0.799 71 W N 3.838 125.060 121.300 -0.130 0.000 2.390 71 W HA 0.147 4.808 4.660 0.002 0.000 0.312 71 W C 0.686 177.334 176.519 0.214 0.000 1.123 71 W CA -0.324 57.041 57.345 0.033 0.000 1.202 71 W CB 1.606 31.082 29.460 0.027 0.000 1.251 71 W HN 0.382 nan 8.180 nan 0.000 0.511 72 T N 0.964 115.330 114.554 -0.314 0.000 3.014 72 T HA 0.177 4.528 4.350 0.002 0.000 0.250 72 T C 0.789 175.230 174.700 -0.432 0.000 1.060 72 T CA 0.162 62.083 62.100 -0.299 0.000 1.040 72 T CB 0.349 69.019 68.868 -0.330 0.000 0.971 72 T HN 0.383 nan 8.240 nan 0.000 0.497 73 A N 2.762 125.242 122.820 -0.567 0.000 3.126 73 A HA 0.570 4.891 4.320 0.002 0.000 0.268 73 A C -0.113 177.587 177.584 0.193 0.000 1.605 73 A CA -1.100 50.777 52.037 -0.267 0.000 1.305 73 A CB -0.929 17.895 19.000 -0.294 0.000 1.160 73 A HN 0.694 nan 8.150 nan 0.000 0.609 74 W N 0.576 121.885 121.300 0.016 0.000 3.074 74 W HA 0.692 5.353 4.660 0.002 0.000 0.332 74 W C -1.386 175.118 176.519 -0.025 0.000 1.253 74 W CA -1.026 56.340 57.345 0.036 0.000 1.180 74 W CB 0.725 30.227 29.460 0.071 0.000 1.445 74 W HN 0.396 nan 8.180 nan 0.000 0.573 75 K N 0.536 121.095 120.400 0.266 0.000 2.527 75 K HA 0.530 4.851 4.320 0.002 0.000 0.260 75 K C -1.221 175.549 176.600 0.282 0.000 0.937 75 K CA -0.787 55.579 56.287 0.132 0.000 0.826 75 K CB 3.167 35.652 32.500 -0.025 0.000 1.359 75 K HN 0.449 nan 8.250 nan 0.000 0.434 76 E N 1.643 122.013 120.200 0.283 0.000 2.227 76 E HA 0.173 4.524 4.350 0.002 0.000 0.282 76 E C -0.784 175.883 176.600 0.111 0.000 1.015 76 E CA -0.460 56.048 56.400 0.179 0.000 0.823 76 E CB 1.432 31.267 29.700 0.223 0.000 1.081 76 E HN 0.444 nan 8.360 nan 0.000 0.396 77 E N 1.541 121.795 120.200 0.091 0.000 2.404 77 E HA 0.143 4.494 4.350 0.002 0.000 0.264 77 E C -0.906 175.743 176.600 0.082 0.000 0.946 77 E CA -1.071 55.372 56.400 0.073 0.000 0.806 77 E CB 1.077 30.811 29.700 0.058 0.000 1.334 77 E HN 0.288 nan 8.360 nan 0.000 0.429 78 E N 0.241 120.478 120.200 0.063 0.000 2.606 78 E HA 0.040 4.391 4.350 0.002 0.000 0.248 78 E C 0.604 177.245 176.600 0.068 0.000 1.005 78 E CA 1.437 57.871 56.400 0.057 0.000 0.946 78 E CB -0.430 29.294 29.700 0.040 0.000 0.928 78 E HN 0.725 nan 8.360 nan 0.000 0.494 79 G N 2.579 111.423 108.800 0.073 0.000 2.166 79 G HA2 -0.139 3.822 3.960 0.002 0.000 0.260 79 G HA3 -0.139 3.822 3.960 0.002 0.000 0.260 79 G C 0.189 175.171 174.900 0.137 0.000 0.986 79 G CA 0.426 45.570 45.100 0.074 0.000 0.683 79 G HN 1.100 nan 8.290 nan 0.000 0.527 80 A N -1.390 121.537 122.820 0.178 0.000 2.606 80 A HA 0.858 5.179 4.320 0.002 0.000 0.293 80 A C -1.221 176.407 177.584 0.074 0.000 1.082 80 A CA -0.330 51.810 52.037 0.172 0.000 0.685 80 A CB 1.798 20.856 19.000 0.097 0.000 1.284 80 A HN 1.566 nan 8.150 nan 0.000 0.408 81 L N 1.717 122.858 121.223 -0.137 0.000 2.343 81 L HA 0.712 5.053 4.340 0.002 0.000 0.278 81 L C -1.274 175.508 176.870 -0.146 0.000 0.996 81 L CA -0.375 54.243 54.840 -0.370 0.000 0.831 81 L CB 1.605 43.008 42.059 -1.093 0.000 1.232 81 L HN 0.434 nan 8.230 nan 0.000 0.413 82 V N 6.927 126.831 119.914 -0.017 0.000 2.347 82 V HA 0.472 4.593 4.120 0.002 0.000 0.280 82 V C 0.135 176.276 176.094 0.077 0.000 1.021 82 V CA -0.342 61.970 62.300 0.020 0.000 0.847 82 V CB 1.194 33.044 31.823 0.044 0.000 0.990 82 V HN 0.597 nan 8.190 nan 0.000 0.444 83 I N 3.867 124.448 120.570 0.019 0.000 2.362 83 I HA 0.458 4.629 4.170 0.002 0.000 0.289 83 I C 0.304 176.462 176.117 0.068 0.000 0.994 83 I CA 0.069 61.412 61.300 0.073 0.000 1.158 83 I CB 1.815 39.745 38.000 -0.117 0.000 1.315 83 I HN 0.521 nan 8.210 nan 0.000 0.451 84 S N 4.459 120.290 115.700 0.217 0.000 2.690 84 S HA 0.392 4.863 4.470 0.002 0.000 0.291 84 S C 0.175 174.940 174.600 0.276 0.000 1.138 84 S CA -0.571 57.737 58.200 0.179 0.000 1.013 84 S CB 1.012 64.284 63.200 0.121 0.000 1.053 84 S HN 0.763 nan 8.310 nan 0.000 0.539 85 N N 0.397 119.208 118.700 0.184 0.000 2.756 85 N HA -0.138 4.603 4.740 0.002 0.000 0.248 85 N C -1.206 174.452 175.510 0.247 0.000 1.062 85 N CA 0.412 53.580 53.050 0.198 0.000 0.696 85 N CB -1.713 36.871 38.487 0.162 0.000 0.946 85 N HN 0.461 nan 8.380 nan 0.000 0.548 86 L N 0.248 121.515 121.223 0.073 0.000 2.360 86 L HA 0.559 4.900 4.340 0.002 0.000 0.271 86 L C -1.387 175.457 176.870 -0.043 0.000 1.057 86 L CA -1.658 53.069 54.840 -0.190 0.000 0.803 86 L CB 0.599 42.339 42.059 -0.531 0.000 1.207 86 L HN -0.090 nan 8.230 nan 0.000 0.445 87 P HA 0.035 nan 4.420 nan 0.000 0.274 87 P C 0.241 177.680 177.300 0.232 0.000 1.260 87 P CA -0.412 62.745 63.100 0.095 0.000 0.793 87 P CB 0.624 32.393 31.700 0.116 0.000 1.048 88 E N -0.204 120.092 120.200 0.160 0.000 2.150 88 E HA -0.120 4.231 4.350 0.002 0.000 0.193 88 E C -0.004 176.673 176.600 0.129 0.000 0.985 88 E CA 0.885 57.350 56.400 0.109 0.000 0.814 88 E CB 0.230 29.940 29.700 0.016 0.000 0.752 88 E HN 0.297 nan 8.360 nan 0.000 0.466 89 R N -0.612 119.985 120.500 0.161 0.000 2.621 89 R HA 0.427 4.768 4.340 0.002 0.000 0.284 89 R C -1.269 175.128 176.300 0.162 0.000 0.998 89 R CA -0.597 55.522 56.100 0.030 0.000 0.895 89 R CB 1.567 31.846 30.300 -0.034 0.000 1.195 89 R HN -0.014 nan 8.270 nan 0.000 0.450 90 F N -2.415 117.508 119.950 -0.045 0.000 2.770 90 F HA 0.441 4.969 4.527 0.002 0.000 0.313 90 F C -1.190 174.561 175.800 -0.081 0.000 1.154 90 F CA -1.083 56.873 58.000 -0.073 0.000 0.923 90 F CB 1.403 40.330 39.000 -0.123 0.000 1.301 90 F HN 0.149 nan 8.300 nan 0.000 0.449 91 T N 3.234 117.854 114.554 0.109 0.000 2.743 91 T HA 0.536 4.887 4.350 0.002 0.000 0.292 91 T C -0.935 173.833 174.700 0.113 0.000 0.972 91 T CA -0.297 61.819 62.100 0.027 0.000 0.967 91 T CB 1.012 69.884 68.868 0.006 0.000 0.926 91 T HN 0.706 nan 8.240 nan 0.000 0.459 92 L N 3.890 125.156 121.223 0.071 0.000 2.275 92 L HA 0.597 4.938 4.340 0.002 0.000 0.288 92 L C -0.155 176.714 176.870 -0.001 0.000 1.046 92 L CA -0.203 54.671 54.840 0.058 0.000 0.805 92 L CB 0.766 42.867 42.059 0.069 0.000 1.193 92 L HN 0.462 nan 8.230 nan 0.000 0.426 93 K N 6.006 126.406 120.400 -0.001 0.000 2.413 93 K HA 0.555 4.876 4.320 0.002 0.000 0.257 93 K C -1.570 175.025 176.600 -0.008 0.000 0.946 93 K CA -0.666 55.613 56.287 -0.014 0.000 0.823 93 K CB 1.048 33.527 32.500 -0.036 0.000 1.109 93 K HN 0.574 nan 8.250 nan 0.000 0.427 94 I N 6.103 126.653 120.570 -0.034 0.000 2.465 94 I HA 0.396 4.567 4.170 0.002 0.000 0.291 94 I C -0.233 175.849 176.117 -0.057 0.000 1.014 94 I CA -0.811 60.464 61.300 -0.041 0.000 1.093 94 I CB 1.682 39.673 38.000 -0.014 0.000 1.267 94 I HN 0.617 nan 8.210 nan 0.000 0.431 95 I N 7.076 127.617 120.570 -0.047 0.000 2.433 95 I HA 0.403 4.574 4.170 0.002 0.000 0.292 95 I C -0.252 175.830 176.117 -0.058 0.000 1.001 95 I CA -0.482 60.779 61.300 -0.066 0.000 1.119 95 I CB 1.751 39.723 38.000 -0.047 0.000 1.289 95 I HN 0.624 nan 8.210 nan 0.000 0.438 96 N N 4.612 123.261 118.700 -0.085 0.000 2.610 96 N HA 0.459 5.200 4.740 0.002 0.000 0.264 96 N C -1.533 173.926 175.510 -0.086 0.000 1.348 96 N CA -0.914 52.092 53.050 -0.074 0.000 0.819 96 N CB 2.367 40.801 38.487 -0.088 0.000 1.521 96 N HN 0.474 nan 8.380 nan 0.000 0.497 97 E N 0.551 120.714 120.200 -0.063 0.000 2.227 97 E HA 0.633 4.984 4.350 0.002 0.000 0.268 97 E C -0.456 176.116 176.600 -0.047 0.000 0.907 97 E CA -0.872 55.501 56.400 -0.046 0.000 0.786 97 E CB 2.596 32.284 29.700 -0.020 0.000 1.191 97 E HN 0.571 nan 8.360 nan 0.000 0.411 98 I N -2.210 118.345 120.570 -0.025 0.000 3.174 98 I HA 0.645 4.816 4.170 0.002 0.000 0.313 98 I C -0.733 175.394 176.117 0.017 0.000 1.155 98 I CA -0.903 60.392 61.300 -0.009 0.000 0.977 98 I CB 2.397 40.394 38.000 -0.005 0.000 1.248 98 I HN 0.330 nan 8.210 nan 0.000 0.453 99 S N 2.532 118.247 115.700 0.026 0.000 2.539 99 S HA 0.508 4.979 4.470 0.002 0.000 0.235 99 S C -2.075 172.551 174.600 0.042 0.000 1.326 99 S CA -1.281 56.938 58.200 0.032 0.000 1.183 99 S CB 0.737 63.952 63.200 0.024 0.000 1.073 99 S HN 0.556 nan 8.310 nan 0.000 0.480 100 P HA -0.076 nan 4.420 nan 0.000 0.216 100 P C 1.427 178.762 177.300 0.059 0.000 1.150 100 P CA 1.258 64.396 63.100 0.063 0.000 0.843 100 P CB 0.150 31.875 31.700 0.042 0.000 0.787 101 A N -0.140 122.704 122.820 0.041 0.000 2.019 101 A HA -0.056 4.265 4.320 0.002 0.000 0.219 101 A C 2.185 179.777 177.584 0.014 0.000 1.164 101 A CA 1.826 53.878 52.037 0.025 0.000 0.644 101 A CB -1.400 17.613 19.000 0.023 0.000 0.805 101 A HN 0.224 nan 8.150 nan 0.000 0.449 102 A N -0.629 122.203 122.820 0.020 0.000 2.218 102 A HA 0.074 4.395 4.320 0.002 0.000 0.209 102 A C 1.057 178.645 177.584 0.006 0.000 1.168 102 A CA 0.236 52.280 52.037 0.011 0.000 0.804 102 A CB -0.361 18.648 19.000 0.015 0.000 0.834 102 A HN 0.380 nan 8.150 nan 0.000 0.482 103 N N 1.378 120.088 118.700 0.017 0.000 2.663 103 N HA 0.036 4.777 4.740 0.002 0.000 0.250 103 N C 1.078 176.557 175.510 -0.051 0.000 1.129 103 N CA 0.819 53.870 53.050 0.002 0.000 0.995 103 N CB 0.489 39.009 38.487 0.056 0.000 1.324 103 N HN 0.365 nan 8.380 nan 0.000 0.512 104 T N -1.070 113.443 114.554 -0.070 0.000 3.067 104 T HA 0.100 4.451 4.350 0.002 0.000 0.261 104 T C 1.606 176.214 174.700 -0.153 0.000 1.110 104 T CA 0.532 62.574 62.100 -0.097 0.000 1.113 104 T CB 0.100 68.931 68.868 -0.062 0.000 0.917 104 T HN 0.248 nan 8.240 nan 0.000 0.499 105 A N 1.914 124.632 122.820 -0.170 0.000 2.066 105 A HA 0.407 4.728 4.320 0.002 0.000 0.218 105 A C 1.467 178.836 177.584 -0.358 0.000 1.157 105 A CA 0.587 52.494 52.037 -0.217 0.000 0.670 105 A CB -0.765 18.122 19.000 -0.188 0.000 0.804 105 A HN 0.729 nan 8.150 nan 0.000 0.453 106 L N -1.571 119.348 121.223 -0.507 0.000 3.608 106 L HA -0.201 4.140 4.340 0.002 0.000 0.422 106 L C -0.044 176.392 176.870 -0.723 0.000 1.260 106 L CA 0.746 54.935 54.840 -1.085 0.000 0.889 106 L CB -2.166 39.212 42.059 -1.134 0.000 1.821 106 L HN 0.704 nan 8.230 nan 0.000 0.884 107 E N 0.220 120.185 120.200 -0.392 0.000 2.246 107 E HA 0.584 4.935 4.350 0.002 0.000 0.266 107 E C 0.619 177.120 176.600 -0.166 0.000 0.880 107 E CA 0.254 56.488 56.400 -0.276 0.000 0.762 107 E CB 1.903 31.363 29.700 -0.399 0.000 1.180 107 E HN 0.295 nan 8.360 nan 0.000 0.416 108 G N 2.701 111.513 108.800 0.020 0.000 2.475 108 G HA2 -0.213 3.748 3.960 0.002 0.000 0.223 108 G HA3 -0.213 3.748 3.960 0.002 0.000 0.223 108 G C -1.328 173.702 174.900 0.216 0.000 1.201 108 G CA -0.288 44.889 45.100 0.128 0.000 0.962 108 G HN 0.650 nan 8.290 nan 0.000 0.586 109 L N 2.021 123.350 121.223 0.176 0.000 2.264 109 L HA 0.811 5.152 4.340 0.002 0.000 0.289 109 L C 0.005 176.976 176.870 0.168 0.000 1.044 109 L CA -0.719 54.194 54.840 0.122 0.000 0.807 109 L CB 0.344 42.459 42.059 0.094 0.000 1.192 109 L HN 1.099 nan 8.230 nan 0.000 0.425 110 Y N 1.738 122.038 120.300 -0.000 0.000 2.715 110 Y HA 0.644 5.195 4.550 0.002 0.000 0.331 110 Y C -0.961 174.934 175.900 -0.008 0.000 1.197 110 Y CA -1.258 56.834 58.100 -0.013 0.000 1.079 110 Y CB 0.990 39.434 38.460 -0.026 0.000 1.298 110 Y HN 0.592 nan 8.280 nan 0.000 0.477 111 Q N 1.290 121.179 119.800 0.149 0.000 2.293 111 Q HA 0.512 4.853 4.340 0.002 0.000 0.261 111 Q C -1.311 174.711 176.000 0.036 0.000 0.960 111 Q CA -0.762 55.052 55.803 0.018 0.000 0.882 111 Q CB 1.616 30.355 28.738 0.002 0.000 1.275 111 Q HN 0.731 nan 8.270 nan 0.000 0.445 112 S N 3.097 118.793 115.700 -0.008 0.000 2.667 112 S HA 0.603 5.074 4.470 0.002 0.000 0.304 112 S C 0.385 175.036 174.600 0.084 0.000 1.135 112 S CA 0.405 58.662 58.200 0.096 0.000 1.125 112 S CB 0.261 63.637 63.200 0.294 0.000 0.996 112 S HN 1.036 nan 8.310 nan 0.000 0.474 113 G N 4.995 113.735 108.800 -0.099 0.000 2.602 113 G HA2 -0.306 3.655 3.960 0.002 0.000 0.310 113 G HA3 -0.306 3.655 3.960 0.002 0.000 0.310 113 G C 0.331 175.227 174.900 -0.007 0.000 1.183 113 G CA 0.785 45.899 45.100 0.023 0.000 0.979 113 G HN 0.638 nan 8.290 nan 0.000 0.545 114 D N 1.993 122.404 120.400 0.018 0.000 2.360 114 D HA 0.460 5.101 4.640 0.002 0.000 0.210 114 D C 1.396 177.725 176.300 0.049 0.000 1.047 114 D CA 0.907 54.904 54.000 -0.004 0.000 0.854 114 D CB 0.154 40.919 40.800 -0.059 0.000 0.936 114 D HN 0.763 nan 8.370 nan 0.000 0.514 115 A N 0.615 123.475 122.820 0.065 0.000 2.302 115 A HA 0.562 4.883 4.320 0.002 0.000 0.285 115 A C -0.091 177.553 177.584 0.100 0.000 1.105 115 A CA -0.314 51.800 52.037 0.127 0.000 0.816 115 A CB 0.575 19.686 19.000 0.184 0.000 1.067 115 A HN 0.114 nan 8.150 nan 0.000 0.489 116 L N 1.096 122.363 121.223 0.072 0.000 2.317 116 L HA 0.602 4.943 4.340 0.002 0.000 0.281 116 L C -0.131 176.638 176.870 -0.168 0.000 1.024 116 L CA -0.517 54.266 54.840 -0.095 0.000 0.810 116 L CB 1.325 43.275 42.059 -0.182 0.000 1.240 116 L HN 1.008 nan 8.230 nan 0.000 0.427 117 C N -0.360 118.739 119.300 -0.335 0.000 3.318 117 C HA 0.892 5.353 4.460 0.002 0.000 0.322 117 C C 0.023 174.751 174.990 -0.436 0.000 1.398 117 C CA -0.688 58.112 59.018 -0.363 0.000 1.339 117 C CB 1.509 29.063 27.740 -0.310 0.000 1.668 117 C HN 0.856 nan 8.230 nan 0.000 0.462 118 T N -0.756 113.656 114.554 -0.236 0.000 2.932 118 T HA 0.746 5.097 4.350 0.002 0.000 0.289 118 T C -1.017 173.765 174.700 0.136 0.000 1.039 118 T CA -0.177 61.903 62.100 -0.033 0.000 1.024 118 T CB 1.805 70.684 68.868 0.018 0.000 1.090 118 T HN 1.183 nan 8.240 nan 0.000 0.496 119 Q N 0.331 120.280 119.800 0.249 0.000 2.294 119 Q HA 0.514 4.855 4.340 0.002 0.000 0.264 119 Q C -0.715 175.365 176.000 0.134 0.000 0.992 119 Q CA -0.644 55.269 55.803 0.183 0.000 0.747 119 Q CB 0.927 29.715 28.738 0.084 0.000 1.262 119 Q HN 0.838 nan 8.270 nan 0.000 0.452 120 C N 2.525 121.926 119.300 0.167 0.000 2.935 120 C HA 0.293 4.754 4.460 0.002 0.000 0.308 120 C C 0.692 175.801 174.990 0.199 0.000 1.263 120 C CA -0.122 59.039 59.018 0.238 0.000 1.738 120 C CB -0.010 27.953 27.740 0.372 0.000 2.237 120 C HN 0.840 nan 8.230 nan 0.000 0.600 121 E N 0.911 121.196 120.200 0.141 0.000 2.316 121 E HA 0.384 4.735 4.350 0.002 0.000 0.275 121 E C 0.755 177.192 176.600 -0.272 0.000 1.029 121 E CA 0.117 56.517 56.400 0.001 0.000 0.871 121 E CB 1.070 30.799 29.700 0.048 0.000 1.022 121 E HN 0.401 nan 8.360 nan 0.000 0.418 122 A N 4.604 127.168 122.820 -0.427 0.000 1.878 122 A HA -0.024 4.297 4.320 0.002 0.000 0.213 122 A C 0.928 178.413 177.584 -0.165 0.000 1.192 122 A CA 0.801 52.430 52.037 -0.681 0.000 0.619 122 A CB 0.144 18.440 19.000 -1.173 0.000 0.837 122 A HN 0.742 nan 8.150 nan 0.000 0.446 123 E N -0.869 119.298 120.200 -0.055 0.000 3.385 123 E HA 0.258 4.609 4.350 0.002 0.000 0.206 123 E C 0.853 177.590 176.600 0.229 0.000 0.997 123 E CA 0.142 56.637 56.400 0.158 0.000 1.278 123 E CB 0.634 30.409 29.700 0.126 0.000 1.165 123 E HN 0.469 nan 8.360 nan 0.000 0.452 124 G N 0.143 109.067 108.800 0.208 0.000 2.603 124 G HA2 -0.163 3.798 3.960 0.002 0.000 0.214 124 G HA3 -0.163 3.798 3.960 0.002 0.000 0.214 124 G C 1.076 176.171 174.900 0.325 0.000 1.140 124 G CA -0.156 45.065 45.100 0.200 0.000 0.800 124 G HN 0.293 nan 8.290 nan 0.000 0.533 125 F N 2.785 122.867 119.950 0.220 0.000 2.234 125 F HA -0.037 4.492 4.527 0.002 0.000 0.299 125 F C 2.766 178.652 175.800 0.144 0.000 1.087 125 F CA 1.364 59.471 58.000 0.177 0.000 1.340 125 F CB 0.107 39.201 39.000 0.156 0.000 1.031 125 F HN 0.204 nan 8.300 nan 0.000 0.500 126 R N -0.833 119.805 120.500 0.231 0.000 2.285 126 R HA -0.126 4.215 4.340 0.002 0.000 0.213 126 R C 1.258 177.461 176.300 -0.161 0.000 1.068 126 R CA 1.613 57.736 56.100 0.039 0.000 1.004 126 R CB -1.259 29.102 30.300 0.101 0.000 0.873 126 R HN 0.423 nan 8.270 nan 0.000 0.467 127 H N -0.030 118.985 119.070 -0.092 0.000 2.547 127 H HA 0.163 4.720 4.556 0.002 0.000 0.266 127 H C 1.462 176.693 175.328 -0.161 0.000 0.988 127 H CA 0.724 56.705 56.048 -0.110 0.000 1.147 127 H CB 0.394 30.132 29.762 -0.040 0.000 1.365 127 H HN 0.303 nan 8.280 nan 0.000 0.589 128 I N -0.899 119.557 120.570 -0.189 0.000 3.194 128 I HA 0.002 4.173 4.170 0.002 0.000 0.271 128 I C 0.875 176.739 176.117 -0.421 0.000 1.150 128 I CA 0.501 61.632 61.300 -0.282 0.000 1.440 128 I CB 0.891 38.667 38.000 -0.373 0.000 1.276 128 I HN -0.051 nan 8.210 nan 0.000 0.457 129 T N -1.587 112.625 114.554 -0.570 0.000 2.792 129 T HA 0.387 4.738 4.350 0.002 0.000 0.303 129 T C -1.749 172.784 174.700 -0.278 0.000 1.310 129 T CA -0.428 61.419 62.100 -0.421 0.000 1.007 129 T CB 0.838 69.477 68.868 -0.382 0.000 1.335 129 T HN -0.129 nan 8.240 nan 0.000 0.504 130 Y N 2.138 122.392 120.300 -0.078 0.000 2.436 130 Y HA 0.542 5.093 4.550 0.002 0.000 0.336 130 Y C -0.186 175.812 175.900 0.163 0.000 1.049 130 Y CA 0.344 58.450 58.100 0.009 0.000 1.294 130 Y CB 0.233 38.664 38.460 -0.048 0.000 1.179 130 Y HN 0.550 nan 8.280 nan 0.000 0.520 131 Y N 1.377 121.801 120.300 0.207 0.000 2.670 131 Y HA 0.427 4.978 4.550 0.002 0.000 0.334 131 Y C -1.290 174.732 175.900 0.202 0.000 1.185 131 Y CA -1.698 56.535 58.100 0.221 0.000 1.053 131 Y CB 1.232 39.937 38.460 0.408 0.000 1.298 131 Y HN 0.354 nan 8.280 nan 0.000 0.459 132 L N 3.538 124.495 121.223 -0.445 0.000 2.395 132 L HA 0.154 4.495 4.340 0.002 0.000 0.268 132 L C -0.334 176.615 176.870 0.132 0.000 1.223 132 L CA 0.200 54.924 54.840 -0.193 0.000 1.093 132 L CB -0.350 41.516 42.059 -0.322 0.000 1.349 132 L HN 0.467 nan 8.230 nan 0.000 0.427 133 D N 4.596 125.198 120.400 0.337 0.000 2.713 133 D HA 0.111 4.752 4.640 0.002 0.000 0.229 133 D C 0.006 176.537 176.300 0.386 0.000 1.136 133 D CA -0.187 54.096 54.000 0.472 0.000 1.010 133 D CB 0.126 41.207 40.800 0.469 0.000 1.084 133 D HN 0.440 nan 8.370 nan 0.000 0.495 134 R N 0.742 121.434 120.500 0.321 0.000 2.584 134 R HA 0.416 4.758 4.340 0.002 0.000 0.276 134 R C -2.588 173.801 176.300 0.148 0.000 1.046 134 R CA -1.429 54.806 56.100 0.225 0.000 0.906 134 R CB 1.337 31.737 30.300 0.167 0.000 1.215 134 R HN -0.200 nan 8.270 nan 0.000 0.449 135 P HA -0.077 nan 4.420 nan 0.000 0.242 135 P C -0.197 177.102 177.300 -0.001 0.000 1.197 135 P CA 0.730 63.811 63.100 -0.031 0.000 0.765 135 P CB 0.191 31.620 31.700 -0.452 0.000 0.936 136 D N -0.772 119.640 120.400 0.021 0.000 2.340 136 D HA 0.006 4.647 4.640 0.002 0.000 0.220 136 D C 0.315 176.659 176.300 0.074 0.000 1.039 136 D CA -0.193 53.841 54.000 0.056 0.000 0.866 136 D CB -0.475 40.395 40.800 0.117 0.000 0.913 136 D HN -0.017 nan 8.370 nan 0.000 0.523 137 V N 1.496 121.465 119.914 0.092 0.000 2.318 137 V HA 0.259 4.380 4.120 0.002 0.000 0.271 137 V C -0.409 175.766 176.094 0.135 0.000 1.030 137 V CA -0.670 61.684 62.300 0.091 0.000 0.844 137 V CB 0.898 32.756 31.823 0.058 0.000 1.015 137 V HN 0.019 nan 8.190 nan 0.000 0.460 138 L N 4.913 126.203 121.223 0.112 0.000 2.307 138 L HA 0.890 5.231 4.340 0.002 0.000 0.284 138 L C 0.227 177.183 176.870 0.143 0.000 1.023 138 L CA 0.135 55.054 54.840 0.133 0.000 0.810 138 L CB 1.761 43.875 42.059 0.091 0.000 1.231 138 L HN 0.701 nan 8.230 nan 0.000 0.423 139 A N 3.149 126.097 122.820 0.214 0.000 2.539 139 A HA 0.809 5.130 4.320 0.002 0.000 0.296 139 A C -0.793 176.922 177.584 0.219 0.000 1.073 139 A CA -0.829 51.295 52.037 0.146 0.000 0.700 139 A CB 1.288 20.321 19.000 0.055 0.000 1.296 139 A HN 0.634 nan 8.150 nan 0.000 0.405 140 R N 0.557 121.124 120.500 0.111 0.000 2.267 140 R HA 0.443 4.784 4.340 0.002 0.000 0.319 140 R C -1.498 174.883 176.300 0.135 0.000 1.067 140 R CA 0.162 56.354 56.100 0.154 0.000 0.936 140 R CB 0.403 30.741 30.300 0.064 0.000 1.006 140 R HN 0.520 nan 8.270 nan 0.000 0.452 141 F N 0.647 120.625 119.950 0.047 0.000 2.404 141 F HA 0.297 4.825 4.527 0.002 0.000 0.339 141 F C 0.900 176.767 175.800 0.112 0.000 1.105 141 F CA -0.256 57.790 58.000 0.076 0.000 1.087 141 F CB 2.149 41.217 39.000 0.112 0.000 1.143 141 F HN 0.250 nan 8.300 nan 0.000 0.491 142 T N 1.862 116.571 114.554 0.258 0.000 2.881 142 T HA 0.589 4.940 4.350 0.002 0.000 0.290 142 T C -0.987 173.896 174.700 0.306 0.000 1.000 142 T CA -0.401 61.853 62.100 0.258 0.000 0.978 142 T CB 0.733 69.694 68.868 0.155 0.000 0.997 142 T HN 0.589 nan 8.240 nan 0.000 0.443 143 T N 4.975 119.765 114.554 0.394 0.000 2.847 143 T HA 0.437 4.788 4.350 0.002 0.000 0.291 143 T C -0.716 174.251 174.700 0.445 0.000 0.998 143 T CA -0.710 61.672 62.100 0.471 0.000 0.967 143 T CB 1.177 70.395 68.868 0.584 0.000 0.954 143 T HN 0.541 nan 8.240 nan 0.000 0.441 144 K N 4.122 124.740 120.400 0.364 0.000 2.185 144 K HA 0.656 4.977 4.320 0.002 0.000 0.269 144 K C -1.084 175.729 176.600 0.356 0.000 0.987 144 K CA -0.723 55.757 56.287 0.321 0.000 0.865 144 K CB 0.748 33.330 32.500 0.137 0.000 1.090 144 K HN 0.564 nan 8.250 nan 0.000 0.450 145 I N 5.963 126.743 120.570 0.349 0.000 2.466 145 I HA 0.365 4.536 4.170 0.002 0.000 0.289 145 I C -0.605 175.647 176.117 0.225 0.000 1.026 145 I CA -0.857 60.607 61.300 0.274 0.000 1.078 145 I CB 1.752 39.868 38.000 0.192 0.000 1.249 145 I HN 0.477 nan 8.210 nan 0.000 0.429 146 I N 5.551 126.230 120.570 0.182 0.000 2.433 146 I HA 0.839 5.010 4.170 0.002 0.000 0.292 146 I C -0.074 176.126 176.117 0.138 0.000 1.001 146 I CA -0.311 61.091 61.300 0.170 0.000 1.119 146 I CB 1.894 39.972 38.000 0.129 0.000 1.289 146 I HN 0.709 nan 8.210 nan 0.000 0.438 147 A N 3.787 126.713 122.820 0.178 0.000 2.610 147 A HA 0.442 4.763 4.320 0.002 0.000 0.291 147 A C -1.503 176.304 177.584 0.372 0.000 1.086 147 A CA -0.707 51.475 52.037 0.242 0.000 0.677 147 A CB 1.302 20.415 19.000 0.188 0.000 1.278 147 A HN 0.703 nan 8.150 nan 0.000 0.414 148 D N 0.464 121.090 120.400 0.377 0.000 2.487 148 D HA 0.116 4.757 4.640 0.002 0.000 0.243 148 D C 1.068 177.515 176.300 0.246 0.000 1.154 148 D CA 0.611 54.771 54.000 0.267 0.000 0.876 148 D CB 0.742 41.650 40.800 0.181 0.000 1.161 148 D HN 0.520 nan 8.370 nan 0.000 0.478 149 K N 3.311 123.762 120.400 0.086 0.000 2.097 149 K HA -0.088 4.233 4.320 0.002 0.000 0.205 149 K C 1.680 178.175 176.600 -0.176 0.000 1.050 149 K CA 0.823 56.972 56.287 -0.230 0.000 0.938 149 K CB 0.052 32.291 32.500 -0.435 0.000 0.718 149 K HN 0.597 nan 8.250 nan 0.000 0.442 150 I N 0.714 121.216 120.570 -0.114 0.000 2.286 150 I HA -0.236 3.935 4.170 0.002 0.000 0.245 150 I C 2.476 178.495 176.117 -0.164 0.000 1.104 150 I CA 1.130 62.355 61.300 -0.125 0.000 1.397 150 I CB -0.084 37.859 38.000 -0.096 0.000 1.072 150 I HN 0.135 nan 8.210 nan 0.000 0.417 151 K N 0.232 120.491 120.400 -0.235 0.000 2.116 151 K HA -0.097 4.224 4.320 0.002 0.000 0.203 151 K C -0.150 176.077 176.600 -0.621 0.000 1.052 151 K CA 1.137 57.112 56.287 -0.520 0.000 0.952 151 K CB 0.254 32.287 32.500 -0.779 0.000 0.729 151 K HN 0.201 nan 8.250 nan 0.000 0.446 152 Y N 0.041 120.370 120.300 0.048 0.000 2.562 152 Y HA 0.262 4.813 4.550 0.002 0.000 0.363 152 Y C -2.126 173.884 175.900 0.184 0.000 0.991 152 Y CA -2.499 55.669 58.100 0.113 0.000 1.121 152 Y CB 1.222 39.767 38.460 0.142 0.000 1.159 152 Y HN 0.102 nan 8.280 nan 0.000 0.651 153 P HA -0.118 nan 4.420 nan 0.000 0.221 153 P C -0.190 177.063 177.300 -0.078 0.000 1.150 153 P CA 1.166 64.217 63.100 -0.082 0.000 0.800 153 P CB 0.248 31.776 31.700 -0.287 0.000 0.787 154 F N 0.333 120.483 119.950 0.333 0.000 2.411 154 F HA 0.388 4.916 4.527 0.002 0.000 0.352 154 F C 0.559 176.530 175.800 0.286 0.000 1.123 154 F CA -0.776 57.434 58.000 0.350 0.000 1.044 154 F CB 1.192 40.467 39.000 0.458 0.000 1.135 154 F HN -0.342 nan 8.300 nan 0.000 0.461 155 L N 5.848 127.304 121.223 0.389 0.000 2.345 155 L HA 0.557 4.898 4.340 0.002 0.000 0.274 155 L C -0.994 176.066 176.870 0.318 0.000 0.999 155 L CA -0.408 54.584 54.840 0.254 0.000 0.849 155 L CB 1.344 43.505 42.059 0.170 0.000 1.220 155 L HN 0.506 nan 8.230 nan 0.000 0.422 156 L N 2.109 123.296 121.223 -0.060 0.000 2.362 156 L HA 0.743 5.084 4.340 0.002 0.000 0.271 156 L C -0.067 176.216 176.870 -0.978 0.000 1.002 156 L CA -0.276 54.219 54.840 -0.576 0.000 0.818 156 L CB 2.132 43.815 42.059 -0.626 0.000 1.298 156 L HN 0.563 nan 8.230 nan 0.000 0.420 157 S N 0.756 115.334 115.700 -1.870 0.000 2.776 157 S HA 0.479 4.950 4.470 0.002 0.000 0.292 157 S C -1.069 172.897 174.600 -1.056 0.000 1.187 157 S CA -0.809 56.680 58.200 -1.186 0.000 0.834 157 S CB 1.475 64.284 63.200 -0.651 0.000 1.199 157 S HN 0.711 nan 8.310 nan 0.000 0.514 158 N N 0.994 119.345 118.700 -0.582 0.000 2.454 158 N HA 0.494 5.235 4.740 0.002 0.000 0.254 158 N C 0.720 176.201 175.510 -0.047 0.000 1.228 158 N CA 1.233 54.081 53.050 -0.336 0.000 0.900 158 N CB 0.398 38.723 38.487 -0.270 0.000 1.089 158 N HN 1.055 nan 8.380 nan 0.000 0.449 159 G N 1.219 110.047 108.800 0.047 0.000 2.513 159 G HA2 -0.231 3.730 3.960 0.002 0.000 0.227 159 G HA3 -0.231 3.730 3.960 0.002 0.000 0.227 159 G C -1.025 174.145 174.900 0.450 0.000 1.176 159 G CA -0.618 44.619 45.100 0.230 0.000 0.967 159 G HN 0.619 nan 8.290 nan 0.000 0.587 160 N N 0.689 119.636 118.700 0.412 0.000 2.319 160 N HA 0.532 5.273 4.740 0.002 0.000 0.305 160 N C -0.168 175.326 175.510 -0.027 0.000 1.103 160 N CA -0.661 52.541 53.050 0.253 0.000 0.815 160 N CB 1.644 40.202 38.487 0.118 0.000 1.288 160 N HN 0.580 nan 8.380 nan 0.000 0.493 161 R N 0.687 120.888 120.500 -0.498 0.000 2.401 161 R HA 0.135 4.476 4.340 0.002 0.000 0.299 161 R C 1.143 177.247 176.300 -0.327 0.000 1.064 161 R CA -0.125 55.511 56.100 -0.772 0.000 1.000 161 R CB 0.531 30.350 30.300 -0.802 0.000 0.973 161 R HN 0.462 nan 8.270 nan 0.000 0.438 162 V N -0.776 118.996 119.914 -0.237 0.000 3.604 162 V HA 0.524 4.645 4.120 0.002 0.000 0.277 162 V C 0.304 176.358 176.094 -0.067 0.000 1.399 162 V CA 0.385 62.629 62.300 -0.094 0.000 1.034 162 V CB 0.486 32.301 31.823 -0.012 0.000 0.824 162 V HN 0.666 nan 8.190 nan 0.000 0.439 163 A N 0.880 123.638 122.820 -0.103 0.000 2.604 163 A HA 0.815 5.136 4.320 0.002 0.000 0.295 163 A C -1.310 176.077 177.584 -0.327 0.000 1.067 163 A CA -0.372 51.620 52.037 -0.076 0.000 0.683 163 A CB 1.642 20.780 19.000 0.230 0.000 1.281 163 A HN 0.666 nan 8.150 nan 0.000 0.407 164 Q N 0.511 119.922 119.800 -0.647 0.000 2.472 164 Q HA 0.717 5.058 4.340 0.002 0.000 0.281 164 Q C -0.452 174.747 176.000 -1.335 0.000 0.997 164 Q CA -0.660 54.515 55.803 -1.046 0.000 0.828 164 Q CB 1.872 30.287 28.738 -0.538 0.000 1.443 164 Q HN 1.922 nan 8.270 nan 0.000 0.390 165 G N 0.684 108.448 108.800 -1.726 0.000 2.660 165 G HA2 0.514 4.475 3.960 0.002 0.000 0.290 165 G HA3 0.514 4.475 3.960 0.002 0.000 0.290 165 G C -1.601 172.990 174.900 -0.515 0.000 1.432 165 G CA -0.614 43.890 45.100 -0.994 0.000 0.807 165 G HN 0.476 nan 8.290 nan 0.000 0.485 166 E N -0.364 119.786 120.200 -0.083 0.000 2.244 166 E HA 0.659 5.010 4.350 0.002 0.000 0.266 166 E C -0.703 176.010 176.600 0.187 0.000 0.914 166 E CA -0.598 55.846 56.400 0.075 0.000 0.794 166 E CB 2.708 32.427 29.700 0.032 0.000 1.210 166 E HN 0.302 nan 8.360 nan 0.000 0.414 167 L N 0.456 121.800 121.223 0.202 0.000 2.257 167 L HA 0.341 4.683 4.340 0.002 0.000 0.257 167 L C 0.445 177.385 176.870 0.117 0.000 1.033 167 L CA -1.061 53.888 54.840 0.181 0.000 0.835 167 L CB 1.412 43.599 42.059 0.214 0.000 1.398 167 L HN 0.574 nan 8.230 nan 0.000 0.429 168 E N -0.434 119.821 120.200 0.092 0.000 2.410 168 E HA 0.085 4.436 4.350 0.002 0.000 0.255 168 E C -0.561 176.079 176.600 0.067 0.000 1.194 168 E CA -0.498 55.942 56.400 0.066 0.000 0.955 168 E CB 0.132 29.863 29.700 0.052 0.000 0.988 168 E HN 0.572 nan 8.360 nan 0.000 0.461 169 N N 0.341 119.072 118.700 0.050 0.000 2.747 169 N HA -0.204 4.537 4.740 0.002 0.000 0.249 169 N C 0.621 176.163 175.510 0.054 0.000 1.107 169 N CA 1.265 54.343 53.050 0.047 0.000 0.707 169 N CB -1.650 36.866 38.487 0.048 0.000 1.054 169 N HN 1.050 nan 8.380 nan 0.000 0.555 170 G N -0.819 108.011 108.800 0.049 0.000 2.153 170 G HA2 -0.373 3.588 3.960 0.002 0.000 0.252 170 G HA3 -0.373 3.588 3.960 0.002 0.000 0.252 170 G C 0.179 175.124 174.900 0.075 0.000 0.994 170 G CA 0.798 45.921 45.100 0.039 0.000 0.698 170 G HN 0.607 nan 8.290 nan 0.000 0.521 171 R N -0.360 120.215 120.500 0.124 0.000 2.643 171 R HA 0.750 5.091 4.340 0.002 0.000 0.272 171 R C 0.522 176.998 176.300 0.293 0.000 0.995 171 R CA -0.200 56.027 56.100 0.212 0.000 1.032 171 R CB 0.943 31.360 30.300 0.195 0.000 1.126 171 R HN 0.790 nan 8.270 nan 0.000 0.505 172 H N -1.367 117.792 119.070 0.149 0.000 2.966 172 H HA 0.627 5.184 4.556 0.002 0.000 0.330 172 H C -1.496 173.985 175.328 0.255 0.000 1.292 172 H CA -1.202 54.926 56.048 0.134 0.000 1.127 172 H CB 1.683 31.453 29.762 0.013 0.000 1.863 172 H HN 0.676 nan 8.280 nan 0.000 0.543 173 W N 0.508 121.728 121.300 -0.134 0.000 3.118 173 W HA 0.663 5.324 4.660 0.002 0.000 0.328 173 W C -2.459 173.973 176.519 -0.145 0.000 1.239 173 W CA -1.223 56.022 57.345 -0.168 0.000 1.176 173 W CB 0.870 30.309 29.460 -0.034 0.000 1.433 173 W HN 0.540 nan 8.180 nan 0.000 0.562 174 V N 1.728 121.734 119.914 0.154 0.000 2.841 174 V HA 0.355 4.476 4.120 0.002 0.000 0.310 174 V C -0.688 175.564 176.094 0.263 0.000 1.090 174 V CA -0.703 61.607 62.300 0.017 0.000 0.930 174 V CB 1.815 33.623 31.823 -0.025 0.000 1.014 174 V HN 0.635 nan 8.190 nan 0.000 0.425 175 Q N 2.013 121.896 119.800 0.138 0.000 2.333 175 Q HA 0.523 4.864 4.340 0.002 0.000 0.267 175 Q C -2.016 173.948 176.000 -0.061 0.000 1.012 175 Q CA -0.548 55.382 55.803 0.211 0.000 0.824 175 Q CB 2.026 30.958 28.738 0.324 0.000 1.290 175 Q HN 0.715 nan 8.270 nan 0.000 0.449 176 W N 1.895 123.282 121.300 0.146 0.000 2.627 176 W HA 0.469 5.130 4.660 0.002 0.000 0.339 176 W C -0.449 176.142 176.519 0.120 0.000 1.058 176 W CA -0.465 56.946 57.345 0.109 0.000 1.223 176 W CB 1.799 31.309 29.460 0.084 0.000 1.389 176 W HN 0.509 nan 8.180 nan 0.000 0.541 177 Q N 2.022 122.013 119.800 0.319 0.000 2.347 177 Q HA 0.244 4.585 4.340 0.002 0.000 0.271 177 Q C -1.769 174.359 176.000 0.214 0.000 1.064 177 Q CA -0.628 55.313 55.803 0.232 0.000 0.800 177 Q CB 2.061 30.881 28.738 0.137 0.000 1.304 177 Q HN 0.373 nan 8.270 nan 0.000 0.438 178 D N 4.735 125.251 120.400 0.192 0.000 2.440 178 D HA 0.293 4.934 4.640 0.002 0.000 0.239 178 D C -1.858 174.501 176.300 0.099 0.000 1.084 178 D CA -2.142 51.948 54.000 0.150 0.000 0.843 178 D CB 1.848 42.724 40.800 0.127 0.000 1.097 178 D HN 0.349 nan 8.370 nan 0.000 0.531 179 P HA 0.017 nan 4.420 nan 0.000 0.229 179 P C 0.143 177.290 177.300 -0.255 0.000 1.160 179 P CA 0.142 63.143 63.100 -0.165 0.000 0.777 179 P CB 0.060 31.563 31.700 -0.329 0.000 0.814 180 F N 2.087 122.022 119.950 -0.026 0.000 2.424 180 F HA 0.328 4.856 4.527 0.002 0.000 0.356 180 F C -1.733 174.059 175.800 -0.014 0.000 1.110 180 F CA -2.602 55.367 58.000 -0.052 0.000 1.161 180 F CB -0.219 38.707 39.000 -0.124 0.000 1.115 180 F HN -0.200 nan 8.300 nan 0.000 0.507 181 P HA 0.068 nan 4.420 nan 0.000 0.265 181 P C -1.113 176.257 177.300 0.118 0.000 1.193 181 P CA -0.107 63.078 63.100 0.142 0.000 0.765 181 P CB 0.410 32.172 31.700 0.103 0.000 0.823 182 K N 2.909 123.387 120.400 0.129 0.000 2.508 182 K HA 0.645 4.966 4.320 0.002 0.000 0.260 182 K C -3.135 173.502 176.600 0.061 0.000 0.949 182 K CA -2.488 53.799 56.287 -0.000 0.000 0.834 182 K CB 1.811 34.205 32.500 -0.177 0.000 1.365 182 K HN 0.087 nan 8.250 nan 0.000 0.437 183 P HA 0.003 nan 4.420 nan 0.000 0.274 183 P C 0.945 178.206 177.300 -0.065 0.000 1.237 183 P CA -0.566 62.570 63.100 0.060 0.000 0.793 183 P CB 0.734 32.501 31.700 0.113 0.000 0.977 184 C N 0.109 119.451 119.300 0.071 0.000 2.456 184 C HA -0.076 4.385 4.460 0.002 0.000 0.279 184 C C 2.584 177.516 174.990 -0.096 0.000 1.427 184 C CA 0.183 59.056 59.018 -0.242 0.000 1.778 184 C CB -2.622 24.757 27.740 -0.602 0.000 1.842 184 C HN 0.636 nan 8.230 nan 0.000 0.531 185 Y N 0.950 121.322 120.300 0.119 0.000 2.574 185 Y HA 0.218 4.769 4.550 0.002 0.000 0.294 185 Y C 1.745 177.696 175.900 0.086 0.000 1.142 185 Y CA 0.718 58.938 58.100 0.200 0.000 1.314 185 Y CB -0.772 37.937 38.460 0.415 0.000 0.991 185 Y HN 0.278 nan 8.280 nan 0.000 0.555 186 L N -0.319 120.594 121.223 -0.517 0.000 2.607 186 L HA 0.152 4.493 4.340 0.002 0.000 0.228 186 L C 0.284 176.927 176.870 -0.378 0.000 1.123 186 L CA -0.453 54.093 54.840 -0.491 0.000 0.890 186 L CB -0.173 41.502 42.059 -0.640 0.000 1.103 186 L HN 0.195 nan 8.230 nan 0.000 0.468 187 F N 1.814 121.468 119.950 -0.493 0.000 2.529 187 F HA 0.432 4.960 4.527 0.002 0.000 0.365 187 F C 0.390 176.054 175.800 -0.226 0.000 1.102 187 F CA -0.676 57.037 58.000 -0.478 0.000 1.271 187 F CB 0.474 39.197 39.000 -0.462 0.000 1.120 187 F HN -0.105 nan 8.300 nan 0.000 0.579 188 A N 7.025 129.063 122.820 -1.304 0.000 2.515 188 A HA 0.757 5.078 4.320 0.002 0.000 0.298 188 A C -2.053 174.750 177.584 -1.302 0.000 1.059 188 A CA -0.772 50.651 52.037 -1.024 0.000 0.698 188 A CB 1.538 20.192 19.000 -0.578 0.000 1.289 188 A HN 0.997 nan 8.150 nan 0.000 0.404 189 L N 1.778 122.510 121.223 -0.818 0.000 2.455 189 L HA 0.835 5.176 4.340 0.002 0.000 0.264 189 L C -1.809 174.798 176.870 -0.439 0.000 0.968 189 L CA -0.636 53.822 54.840 -0.636 0.000 0.827 189 L CB 2.148 43.857 42.059 -0.584 0.000 1.317 189 L HN 0.547 nan 8.230 nan 0.000 0.407 190 V N 3.518 123.198 119.914 -0.389 0.000 2.686 190 V HA 0.895 5.016 4.120 0.002 0.000 0.306 190 V C -0.554 175.477 176.094 -0.105 0.000 1.065 190 V CA -0.288 61.865 62.300 -0.245 0.000 0.894 190 V CB 1.784 33.417 31.823 -0.316 0.000 1.004 190 V HN 0.876 nan 8.190 nan 0.000 0.424 191 A N 2.889 125.718 122.820 0.014 0.000 2.398 191 A HA 1.049 5.370 4.320 0.002 0.000 0.301 191 A C -0.038 177.770 177.584 0.374 0.000 1.041 191 A CA 0.140 52.258 52.037 0.135 0.000 0.711 191 A CB 1.865 20.745 19.000 -0.201 0.000 1.240 191 A HN 1.736 nan 8.150 nan 0.000 0.420 192 G N 0.400 109.480 108.800 0.466 0.000 2.323 192 G HA2 0.455 4.416 3.960 0.002 0.000 0.291 192 G HA3 0.455 4.416 3.960 0.002 0.000 0.291 192 G C -2.237 172.585 174.900 -0.129 0.000 1.278 192 G CA -0.269 44.877 45.100 0.077 0.000 0.860 192 G HN 0.802 nan 8.290 nan 0.000 0.504 193 D N -0.516 119.572 120.400 -0.521 0.000 2.308 193 D HA 0.742 5.383 4.640 0.002 0.000 0.242 193 D C -1.111 174.876 176.300 -0.522 0.000 1.059 193 D CA -0.216 53.667 54.000 -0.193 0.000 0.830 193 D CB 0.978 41.718 40.800 -0.100 0.000 1.161 193 D HN 0.218 nan 8.370 nan 0.000 0.494 194 F N 0.992 121.084 119.950 0.237 0.000 2.599 194 F HA 0.331 4.859 4.527 0.002 0.000 0.311 194 F C 0.283 176.063 175.800 -0.033 0.000 1.076 194 F CA -1.068 56.943 58.000 0.018 0.000 0.937 194 F CB 1.489 40.439 39.000 -0.083 0.000 1.282 194 F HN 0.079 nan 8.300 nan 0.000 0.460 195 D N 1.208 121.698 120.400 0.150 0.000 2.304 195 D HA 0.511 5.152 4.640 0.002 0.000 0.247 195 D C -0.790 175.439 176.300 -0.118 0.000 1.089 195 D CA 0.204 54.222 54.000 0.030 0.000 0.910 195 D CB 1.868 42.683 40.800 0.025 0.000 1.199 195 D HN 0.150 nan 8.370 nan 0.000 0.426 196 V N 2.847 122.635 119.914 -0.209 0.000 2.525 196 V HA 0.210 4.331 4.120 0.002 0.000 0.299 196 V C -0.368 175.564 176.094 -0.270 0.000 1.034 196 V CA -0.948 61.093 62.300 -0.431 0.000 0.863 196 V CB 1.802 33.237 31.823 -0.646 0.000 0.999 196 V HN 0.295 nan 8.190 nan 0.000 0.423 197 L N 6.330 127.394 121.223 -0.265 0.000 2.265 197 L HA 0.603 4.944 4.340 0.002 0.000 0.288 197 L C 0.112 176.875 176.870 -0.178 0.000 1.058 197 L CA 0.248 54.985 54.840 -0.171 0.000 0.809 197 L CB 0.650 42.627 42.059 -0.136 0.000 1.179 197 L HN 0.615 nan 8.230 nan 0.000 0.429 198 R N 3.861 124.290 120.500 -0.119 0.000 2.514 198 R HA 0.613 4.954 4.340 0.002 0.000 0.301 198 R C -1.117 175.153 176.300 -0.050 0.000 0.962 198 R CA -0.780 55.269 56.100 -0.086 0.000 0.882 198 R CB 1.719 31.984 30.300 -0.058 0.000 1.143 198 R HN 0.604 nan 8.270 nan 0.000 0.452 199 D N 0.109 120.488 120.400 -0.035 0.000 2.812 199 D HA 0.452 5.093 4.640 0.002 0.000 0.318 199 D C -1.237 175.071 176.300 0.014 0.000 1.234 199 D CA -0.257 53.734 54.000 -0.015 0.000 0.989 199 D CB 2.564 43.346 40.800 -0.031 0.000 1.442 199 D HN 0.407 nan 8.370 nan 0.000 0.537 200 T N 0.497 115.070 114.554 0.032 0.000 2.952 200 T HA 0.518 4.869 4.350 0.002 0.000 0.305 200 T C -1.248 173.520 174.700 0.114 0.000 1.064 200 T CA -0.495 61.644 62.100 0.064 0.000 1.008 200 T CB 1.052 69.943 68.868 0.037 0.000 1.078 200 T HN 0.261 nan 8.240 nan 0.000 0.459 201 F N 1.996 121.932 119.950 -0.023 0.000 2.529 201 F HA 0.582 5.110 4.527 0.002 0.000 0.320 201 F C -0.387 175.424 175.800 0.020 0.000 1.118 201 F CA -0.354 57.629 58.000 -0.027 0.000 0.915 201 F CB 1.739 40.689 39.000 -0.083 0.000 1.161 201 F HN 0.471 nan 8.300 nan 0.000 0.445 202 T N 4.224 118.440 114.554 -0.564 0.000 2.749 202 T HA 0.318 4.669 4.350 0.002 0.000 0.287 202 T C 0.183 174.593 174.700 -0.484 0.000 0.970 202 T CA -0.533 61.367 62.100 -0.333 0.000 0.980 202 T CB 0.862 69.594 68.868 -0.227 0.000 0.924 202 T HN 0.757 nan 8.240 nan 0.000 0.456 203 T N 0.697 115.232 114.554 -0.031 0.000 2.748 203 T HA 0.130 4.481 4.350 0.002 0.000 0.304 203 T C 1.571 176.292 174.700 0.035 0.000 1.041 203 T CA -0.630 61.560 62.100 0.151 0.000 1.033 203 T CB 0.577 69.617 68.868 0.288 0.000 0.995 203 T HN 0.718 nan 8.240 nan 0.000 0.536 204 R N 0.324 120.881 120.500 0.096 0.000 2.237 204 R HA -0.012 4.329 4.340 0.002 0.000 0.219 204 R C 1.997 178.320 176.300 0.038 0.000 1.080 204 R CA 1.401 57.529 56.100 0.047 0.000 0.995 204 R CB -0.535 29.805 30.300 0.066 0.000 0.875 204 R HN 0.658 nan 8.270 nan 0.000 0.462 205 S N -1.107 114.629 115.700 0.060 0.000 2.575 205 S HA 0.268 4.739 4.470 0.002 0.000 0.215 205 S C 1.309 175.935 174.600 0.043 0.000 0.966 205 S CA -0.025 58.205 58.200 0.050 0.000 0.911 205 S CB 0.674 63.913 63.200 0.064 0.000 0.780 205 S HN 0.645 nan 8.310 nan 0.000 0.514 206 G N 1.389 110.211 108.800 0.037 0.000 2.148 206 G HA2 -0.237 3.724 3.960 0.002 0.000 0.203 206 G HA3 -0.237 3.724 3.960 0.002 0.000 0.203 206 G C -0.000 174.926 174.900 0.044 0.000 0.993 206 G CA -0.210 44.903 45.100 0.022 0.000 0.661 206 G HN 0.663 nan 8.290 nan 0.000 0.518 207 R N 1.159 121.709 120.500 0.082 0.000 2.370 207 R HA 0.381 4.722 4.340 0.002 0.000 0.309 207 R C 0.189 176.563 176.300 0.123 0.000 1.059 207 R CA -0.149 56.020 56.100 0.115 0.000 0.981 207 R CB 0.280 30.676 30.300 0.160 0.000 0.972 207 R HN 0.417 nan 8.270 nan 0.000 0.437 208 E N 4.005 124.268 120.200 0.104 0.000 2.194 208 E HA 0.159 4.510 4.350 0.002 0.000 0.284 208 E C -1.206 175.493 176.600 0.165 0.000 1.035 208 E CA -0.604 55.858 56.400 0.102 0.000 0.836 208 E CB 1.092 30.831 29.700 0.065 0.000 1.070 208 E HN 0.314 nan 8.360 nan 0.000 0.401 209 V N 3.740 123.781 119.914 0.212 0.000 2.384 209 V HA 0.439 4.560 4.120 0.002 0.000 0.287 209 V C 0.121 176.331 176.094 0.192 0.000 1.020 209 V CA -0.854 61.605 62.300 0.266 0.000 0.850 209 V CB 1.274 33.319 31.823 0.369 0.000 0.987 209 V HN 0.823 nan 8.190 nan 0.000 0.436 210 A N 6.690 129.617 122.820 0.179 0.000 2.409 210 A HA 0.682 5.003 4.320 0.002 0.000 0.267 210 A C -0.350 177.310 177.584 0.127 0.000 1.127 210 A CA -0.174 51.943 52.037 0.133 0.000 0.795 210 A CB -0.067 19.011 19.000 0.130 0.000 1.061 210 A HN 0.821 nan 8.150 nan 0.000 0.502 211 L N 2.766 124.029 121.223 0.067 0.000 2.296 211 L HA 0.503 4.844 4.340 0.002 0.000 0.286 211 L C -0.088 176.776 176.870 -0.010 0.000 1.023 211 L CA -0.162 54.692 54.840 0.023 0.000 0.812 211 L CB 1.341 43.366 42.059 -0.057 0.000 1.223 211 L HN 0.732 nan 8.230 nan 0.000 0.421 212 E N 3.781 123.981 120.200 0.001 0.000 2.241 212 E HA 0.411 4.762 4.350 0.002 0.000 0.263 212 E C -1.483 175.027 176.600 -0.150 0.000 0.882 212 E CA -0.786 55.548 56.400 -0.110 0.000 0.769 212 E CB 3.039 32.722 29.700 -0.027 0.000 1.185 212 E HN 0.223 nan 8.360 nan 0.000 0.415 213 L N 4.022 125.070 121.223 -0.290 0.000 2.294 213 L HA 0.391 4.732 4.340 0.002 0.000 0.283 213 L C -1.760 174.882 176.870 -0.380 0.000 1.015 213 L CA -0.578 54.113 54.840 -0.248 0.000 0.831 213 L CB 0.212 42.140 42.059 -0.218 0.000 1.217 213 L HN 0.437 nan 8.230 nan 0.000 0.420 214 Y N 4.980 125.085 120.300 -0.325 0.000 2.341 214 Y HA 0.597 5.148 4.550 0.002 0.000 0.340 214 Y C 0.379 176.089 175.900 -0.318 0.000 0.997 214 Y CA -0.488 57.348 58.100 -0.440 0.000 1.149 214 Y CB 1.488 39.434 38.460 -0.857 0.000 1.171 214 Y HN 0.515 nan 8.280 nan 0.000 0.494 215 V N -0.820 119.094 119.914 0.000 0.000 3.040 215 V HA 0.548 4.669 4.120 0.002 0.000 0.312 215 V C -0.533 175.725 176.094 0.274 0.000 1.115 215 V CA -1.307 61.052 62.300 0.099 0.000 0.998 215 V CB 1.938 33.770 31.823 0.015 0.000 1.042 215 V HN 0.485 nan 8.190 nan 0.000 0.433 216 D N 2.087 122.631 120.400 0.240 0.000 2.449 216 D HA 0.137 4.778 4.640 0.002 0.000 0.236 216 D C 0.429 176.795 176.300 0.109 0.000 1.149 216 D CA 0.253 54.362 54.000 0.182 0.000 0.878 216 D CB 0.388 41.261 40.800 0.121 0.000 1.198 216 D HN 0.443 nan 8.370 nan 0.000 0.446 217 R N 1.037 121.579 120.500 0.071 0.000 2.504 217 R HA 0.223 4.564 4.340 0.002 0.000 0.291 217 R C 1.302 177.624 176.300 0.038 0.000 0.974 217 R CA 0.795 56.925 56.100 0.050 0.000 1.077 217 R CB -0.321 29.996 30.300 0.029 0.000 0.926 217 R HN 0.806 nan 8.270 nan 0.000 0.407 218 G N 2.710 111.529 108.800 0.032 0.000 2.194 218 G HA2 -0.296 3.665 3.960 0.002 0.000 0.236 218 G HA3 -0.296 3.665 3.960 0.002 0.000 0.236 218 G C 0.557 175.470 174.900 0.021 0.000 0.987 218 G CA 0.216 45.329 45.100 0.022 0.000 0.635 218 G HN 0.669 nan 8.290 nan 0.000 0.520 219 N N -0.201 118.514 118.700 0.025 0.000 2.230 219 N HA 0.284 5.025 4.740 0.002 0.000 0.202 219 N C 1.686 177.199 175.510 0.005 0.000 1.119 219 N CA -0.469 52.592 53.050 0.017 0.000 0.851 219 N CB 0.176 38.677 38.487 0.024 0.000 0.990 219 N HN 0.191 nan 8.380 nan 0.000 0.497 220 L N 1.879 123.104 121.223 0.003 0.000 2.131 220 L HA -0.175 4.166 4.340 0.002 0.000 0.210 220 L C 1.871 178.740 176.870 -0.001 0.000 1.092 220 L CA 1.676 56.511 54.840 -0.009 0.000 0.759 220 L CB -0.553 41.500 42.059 -0.009 0.000 0.903 220 L HN 0.337 nan 8.230 nan 0.000 0.435 221 D N -1.309 119.096 120.400 0.008 0.000 2.350 221 D HA -0.209 4.432 4.640 0.002 0.000 0.216 221 D C 1.605 177.918 176.300 0.023 0.000 0.968 221 D CA 0.852 54.862 54.000 0.017 0.000 0.894 221 D CB -0.226 40.586 40.800 0.019 0.000 0.909 221 D HN 0.338 nan 8.370 nan 0.000 0.520 222 R N -0.524 119.982 120.500 0.011 0.000 2.509 222 R HA 0.443 4.784 4.340 0.002 0.000 0.300 222 R C 1.159 177.462 176.300 0.006 0.000 0.985 222 R CA 0.366 56.469 56.100 0.005 0.000 1.092 222 R CB 0.885 31.175 30.300 -0.016 0.000 1.237 222 R HN 0.179 nan 8.270 nan 0.000 0.546 223 A N 1.438 124.259 122.820 0.003 0.000 2.014 223 A HA 0.180 4.501 4.320 0.002 0.000 0.210 223 A C -0.900 176.682 177.584 -0.005 0.000 1.188 223 A CA 0.147 52.169 52.037 -0.024 0.000 0.731 223 A CB -0.388 18.577 19.000 -0.059 0.000 0.858 223 A HN 0.026 nan 8.150 nan 0.000 0.464 224 P HA -0.201 nan 4.420 nan 0.000 0.218 224 P C 1.503 178.877 177.300 0.122 0.000 1.148 224 P CA 1.021 64.157 63.100 0.060 0.000 0.822 224 P CB -0.215 31.538 31.700 0.089 0.000 0.784 225 W N 0.743 122.050 121.300 0.011 0.000 2.358 225 W HA -0.166 4.495 4.660 0.002 0.000 0.303 225 W C 1.938 178.449 176.519 -0.013 0.000 1.208 225 W CA 1.337 58.711 57.345 0.048 0.000 1.274 225 W CB -0.459 29.084 29.460 0.139 0.000 1.138 225 W HN -0.080 nan 8.180 nan 0.000 0.515 226 A N 0.915 123.626 122.820 -0.181 0.000 1.902 226 A HA -0.280 4.041 4.320 0.002 0.000 0.217 226 A C 1.864 179.220 177.584 -0.380 0.000 1.181 226 A CA 2.189 54.019 52.037 -0.347 0.000 0.623 226 A CB -0.997 17.854 19.000 -0.250 0.000 0.818 226 A HN 0.394 nan 8.150 nan 0.000 0.443 227 M N -0.060 119.381 119.600 -0.264 0.000 2.117 227 M HA -0.089 4.392 4.480 0.002 0.000 0.262 227 M C 1.984 178.123 176.300 -0.268 0.000 1.065 227 M CA 2.469 57.622 55.300 -0.245 0.000 1.114 227 M CB -1.000 31.508 32.600 -0.153 0.000 1.361 227 M HN 0.345 nan 8.290 nan 0.000 0.408 228 T N -0.167 114.233 114.554 -0.256 0.000 2.746 228 T HA -0.098 4.253 4.350 0.002 0.000 0.267 228 T C 1.889 176.348 174.700 -0.402 0.000 1.039 228 T CA 1.823 63.772 62.100 -0.251 0.000 1.142 228 T CB -0.400 68.377 68.868 -0.151 0.000 0.866 228 T HN 0.442 nan 8.240 nan 0.000 0.444 229 S N 1.205 116.510 115.700 -0.658 0.000 2.383 229 S HA -0.009 4.462 4.470 0.002 0.000 0.227 229 S C 1.909 176.262 174.600 -0.411 0.000 1.026 229 S CA 0.519 58.367 58.200 -0.586 0.000 0.981 229 S CB -0.423 62.329 63.200 -0.745 0.000 0.818 229 S HN 0.271 nan 8.310 nan 0.000 0.472 230 L N 2.122 123.059 121.223 -0.476 0.000 2.017 230 L HA -0.058 4.283 4.340 0.002 0.000 0.208 230 L C 1.939 178.412 176.870 -0.663 0.000 1.073 230 L CA 1.850 56.328 54.840 -0.604 0.000 0.745 230 L CB -0.561 41.133 42.059 -0.607 0.000 0.894 230 L HN 0.098 nan 8.230 nan 0.000 0.432 231 K N -0.536 119.586 120.400 -0.463 0.000 2.057 231 K HA -0.151 4.170 4.320 0.002 0.000 0.207 231 K C 1.914 178.339 176.600 -0.293 0.000 1.049 231 K CA 1.419 57.474 56.287 -0.387 0.000 0.931 231 K CB -0.363 32.100 32.500 -0.063 0.000 0.714 231 K HN 0.380 nan 8.250 nan 0.000 0.440 232 N N 0.709 119.316 118.700 -0.154 0.000 2.104 232 N HA -0.115 4.626 4.740 0.002 0.000 0.190 232 N C 1.800 177.372 175.510 0.104 0.000 1.024 232 N CA 1.258 54.346 53.050 0.063 0.000 0.853 232 N CB -0.345 38.226 38.487 0.140 0.000 1.008 232 N HN 0.040 nan 8.380 nan 0.000 0.424 233 S N 1.010 116.556 115.700 -0.257 0.000 2.356 233 S HA -0.035 4.436 4.470 0.002 0.000 0.223 233 S C 2.045 176.411 174.600 -0.390 0.000 1.032 233 S CA 0.984 58.829 58.200 -0.592 0.000 1.005 233 S CB -0.140 62.473 63.200 -0.979 0.000 0.867 233 S HN 0.317 nan 8.310 nan 0.000 0.449 234 M N 0.848 119.919 119.600 -0.881 0.000 2.086 234 M HA -0.131 4.350 4.480 0.002 0.000 0.261 234 M C 2.288 178.425 176.300 -0.271 0.000 1.067 234 M CA 1.419 56.154 55.300 -0.941 0.000 1.116 234 M CB -0.367 31.177 32.600 -1.761 0.000 1.348 234 M HN 0.072 nan 8.290 nan 0.000 0.407 235 K N -0.201 120.133 120.400 -0.110 0.000 2.057 235 K HA -0.205 4.116 4.320 0.002 0.000 0.207 235 K C 1.629 178.400 176.600 0.284 0.000 1.049 235 K CA 1.560 58.008 56.287 0.268 0.000 0.931 235 K CB -0.459 32.239 32.500 0.330 0.000 0.714 235 K HN 0.464 nan 8.250 nan 0.000 0.440 236 W N 1.126 122.517 121.300 0.152 0.000 2.381 236 W HA -0.114 4.547 4.660 0.002 0.000 0.301 236 W C 1.567 178.199 176.519 0.189 0.000 1.205 236 W CA 1.611 59.087 57.345 0.217 0.000 1.285 236 W CB -0.307 29.393 29.460 0.400 0.000 1.133 236 W HN 0.141 nan 8.180 nan 0.000 0.521 237 D N 0.248 120.854 120.400 0.342 0.000 2.178 237 D HA -0.186 4.455 4.640 0.002 0.000 0.201 237 D C 1.858 178.168 176.300 0.016 0.000 0.980 237 D CA 1.518 55.590 54.000 0.120 0.000 0.842 237 D CB -0.151 40.938 40.800 0.481 0.000 0.948 237 D HN 0.374 nan 8.370 nan 0.000 0.472 238 E N 0.143 120.399 120.200 0.094 0.000 2.031 238 E HA -0.158 4.193 4.350 0.002 0.000 0.193 238 E C 2.084 178.667 176.600 -0.028 0.000 0.994 238 E CA 0.877 57.316 56.400 0.064 0.000 0.800 238 E CB -0.010 29.781 29.700 0.152 0.000 0.752 238 E HN 0.428 nan 8.360 nan 0.000 0.447 239 E N 0.243 120.407 120.200 -0.059 0.000 2.047 239 E HA -0.183 4.168 4.350 0.002 0.000 0.191 239 E C 2.202 178.663 176.600 -0.231 0.000 0.987 239 E CA 0.857 57.195 56.400 -0.103 0.000 0.799 239 E CB 0.022 29.693 29.700 -0.047 0.000 0.752 239 E HN -0.059 nan 8.360 nan 0.000 0.449 240 R N -0.109 120.108 120.500 -0.472 0.000 2.090 240 R HA 0.025 4.366 4.340 0.002 0.000 0.219 240 R C 1.311 177.304 176.300 -0.511 0.000 1.100 240 R CA 1.203 56.946 56.100 -0.594 0.000 0.991 240 R CB -0.063 29.546 30.300 -1.152 0.000 0.893 240 R HN 0.095 nan 8.270 nan 0.000 0.443 241 F N -1.019 118.675 119.950 -0.428 0.000 2.704 241 F HA 0.342 4.870 4.527 0.002 0.000 0.304 241 F C 1.191 176.886 175.800 -0.175 0.000 1.094 241 F CA 0.353 58.219 58.000 -0.224 0.000 1.275 241 F CB 1.155 40.037 39.000 -0.197 0.000 1.073 241 F HN 0.281 nan 8.300 nan 0.000 0.586 242 G N 1.802 110.573 108.800 -0.049 0.000 2.198 242 G HA2 -0.302 3.659 3.960 0.002 0.000 0.260 242 G HA3 -0.302 3.659 3.960 0.002 0.000 0.260 242 G C -0.149 174.672 174.900 -0.132 0.000 1.025 242 G CA -0.046 45.013 45.100 -0.069 0.000 0.769 242 G HN 0.279 nan 8.290 nan 0.000 0.507 243 L N -0.037 121.101 121.223 -0.141 0.000 2.307 243 L HA 0.602 4.943 4.340 0.002 0.000 0.284 243 L C 0.399 177.280 176.870 0.018 0.000 1.023 243 L CA -0.752 53.892 54.840 -0.326 0.000 0.810 243 L CB 1.505 43.222 42.059 -0.571 0.000 1.231 243 L HN 0.167 nan 8.230 nan 0.000 0.423 244 E N 1.309 121.588 120.200 0.131 0.000 2.221 244 E HA 0.262 4.613 4.350 0.002 0.000 0.268 244 E C -1.303 175.631 176.600 0.557 0.000 0.933 244 E CA -0.936 55.672 56.400 0.348 0.000 0.809 244 E CB 2.349 32.213 29.700 0.272 0.000 1.190 244 E HN 0.307 nan 8.360 nan 0.000 0.406 245 Y N 2.549 123.099 120.300 0.416 0.000 2.578 245 Y HA -0.068 4.483 4.550 0.002 0.000 0.339 245 Y C 0.814 176.867 175.900 0.256 0.000 1.231 245 Y CA 0.386 58.696 58.100 0.349 0.000 1.461 245 Y CB 0.572 39.261 38.460 0.382 0.000 1.323 245 Y HN 0.531 nan 8.280 nan 0.000 0.590 246 D N 2.621 122.689 120.400 -0.553 0.000 2.469 246 D HA 0.142 4.783 4.640 0.002 0.000 0.213 246 D C -0.292 175.827 176.300 -0.302 0.000 1.135 246 D CA 0.249 54.058 54.000 -0.319 0.000 0.834 246 D CB -0.127 40.436 40.800 -0.395 0.000 1.009 246 D HN 0.413 nan 8.370 nan 0.000 0.507 247 L N -0.450 120.348 121.223 -0.709 0.000 2.183 247 L HA 0.424 4.765 4.340 0.002 0.000 0.253 247 L C -0.212 176.715 176.870 0.096 0.000 1.048 247 L CA -0.769 53.937 54.840 -0.223 0.000 0.890 247 L CB 1.919 43.868 42.059 -0.184 0.000 1.476 247 L HN -0.340 nan 8.230 nan 0.000 0.455 248 D N -0.065 120.463 120.400 0.213 0.000 2.433 248 D HA 0.323 4.964 4.640 0.002 0.000 0.211 248 D C -0.507 175.975 176.300 0.304 0.000 1.114 248 D CA 0.207 54.367 54.000 0.266 0.000 0.837 248 D CB 1.154 42.058 40.800 0.173 0.000 0.984 248 D HN 0.113 nan 8.370 nan 0.000 0.505 249 I N 0.463 121.247 120.570 0.357 0.000 2.534 249 I HA 0.327 4.498 4.170 0.002 0.000 0.288 249 I C -1.809 174.506 176.117 0.331 0.000 1.077 249 I CA -1.082 60.403 61.300 0.309 0.000 1.051 249 I CB 1.726 39.891 38.000 0.275 0.000 1.234 249 I HN -0.164 nan 8.210 nan 0.000 0.425 250 Y N 8.125 128.485 120.300 0.100 0.000 2.345 250 Y HA 0.596 5.147 4.550 0.002 0.000 0.331 250 Y C -0.849 175.027 175.900 -0.039 0.000 0.959 250 Y CA -0.707 57.359 58.100 -0.056 0.000 1.204 250 Y CB 1.189 39.438 38.460 -0.353 0.000 1.135 250 Y HN 0.442 nan 8.280 nan 0.000 0.477 251 M N 6.970 126.532 119.600 -0.063 0.000 2.336 251 M HA 0.523 5.004 4.480 0.002 0.000 0.342 251 M C -1.179 175.090 176.300 -0.052 0.000 1.128 251 M CA -0.427 54.880 55.300 0.012 0.000 1.016 251 M CB 1.812 34.373 32.600 -0.065 0.000 1.665 251 M HN 0.474 nan 8.290 nan 0.000 0.445 252 I N 2.495 123.065 120.570 0.001 0.000 2.498 252 I HA 0.511 4.682 4.170 0.002 0.000 0.290 252 I C -1.032 175.018 176.117 -0.113 0.000 1.032 252 I CA -1.015 60.227 61.300 -0.096 0.000 1.073 252 I CB 2.277 40.121 38.000 -0.260 0.000 1.251 252 I HN 0.321 nan 8.210 nan 0.000 0.426 253 V N 4.922 124.736 119.914 -0.166 0.000 2.448 253 V HA 0.587 4.708 4.120 0.002 0.000 0.295 253 V C 0.223 176.229 176.094 -0.147 0.000 1.025 253 V CA -0.664 61.491 62.300 -0.242 0.000 0.859 253 V CB 1.653 33.227 31.823 -0.416 0.000 0.988 253 V HN 0.813 nan 8.190 nan 0.000 0.431 254 A N 5.182 127.931 122.820 -0.117 0.000 2.269 254 A HA 0.762 5.083 4.320 0.002 0.000 0.302 254 A C -0.202 177.393 177.584 0.019 0.000 1.266 254 A CA -0.387 51.626 52.037 -0.039 0.000 0.894 254 A CB 0.689 19.667 19.000 -0.036 0.000 1.147 254 A HN 1.326 nan 8.150 nan 0.000 0.537 255 V N 0.476 120.404 119.914 0.022 0.000 2.769 255 V HA 0.522 4.643 4.120 0.002 0.000 0.312 255 V C 0.395 176.569 176.094 0.133 0.000 1.061 255 V CA -0.412 61.962 62.300 0.123 0.000 0.931 255 V CB 1.939 33.860 31.823 0.163 0.000 1.010 255 V HN 0.751 nan 8.190 nan 0.000 0.433 256 D N 1.734 122.246 120.400 0.187 0.000 2.289 256 D HA 0.112 4.753 4.640 0.002 0.000 0.207 256 D C -0.009 176.186 176.300 -0.174 0.000 0.966 256 D CA 0.915 54.921 54.000 0.010 0.000 0.868 256 D CB 0.011 40.831 40.800 0.032 0.000 0.943 256 D HN 0.560 nan 8.370 nan 0.000 0.514 257 F N 0.181 120.255 119.950 0.206 0.000 2.434 257 F HA 0.432 4.960 4.527 0.002 0.000 0.355 257 F C -0.765 175.269 175.800 0.390 0.000 1.115 257 F CA -0.957 57.183 58.000 0.232 0.000 1.010 257 F CB 1.208 40.349 39.000 0.236 0.000 1.234 257 F HN -0.305 nan 8.300 nan 0.000 0.439 258 F N 3.063 123.107 119.950 0.156 0.000 2.639 258 F HA 0.306 4.834 4.527 0.002 0.000 0.326 258 F C 0.235 176.032 175.800 -0.005 0.000 1.150 258 F CA -0.797 57.269 58.000 0.109 0.000 1.057 258 F CB 1.273 40.341 39.000 0.113 0.000 1.300 258 F HN 0.220 nan 8.300 nan 0.000 0.486 259 N N 3.539 121.968 118.700 -0.453 0.000 2.270 259 N HA 0.000 4.741 4.740 0.002 0.000 0.181 259 N C 0.665 176.055 175.510 -0.201 0.000 1.016 259 N CA 1.204 54.067 53.050 -0.312 0.000 0.870 259 N CB 0.147 38.401 38.487 -0.387 0.000 0.979 259 N HN 0.454 nan 8.380 nan 0.000 0.431 260 M N -1.570 117.886 119.600 -0.239 0.000 2.348 260 M HA 0.337 4.818 4.480 0.002 0.000 0.226 260 M C 1.750 178.258 176.300 0.346 0.000 0.780 260 M CA -0.236 55.070 55.300 0.010 0.000 1.699 260 M CB -0.436 32.110 32.600 -0.090 0.000 1.192 260 M HN -0.012 nan 8.290 nan 0.000 0.859 261 G N -0.445 108.554 108.800 0.331 0.000 2.570 261 G HA2 0.503 4.464 3.960 0.002 0.000 0.209 261 G HA3 0.503 4.464 3.960 0.002 0.000 0.209 261 G C 0.054 175.048 174.900 0.156 0.000 1.168 261 G CA 0.812 46.145 45.100 0.387 0.000 0.831 261 G HN 0.796 nan 8.290 nan 0.000 0.564 262 A N -1.685 121.133 122.820 -0.005 0.000 2.511 262 A HA 0.741 5.062 4.320 0.002 0.000 0.293 262 A C -1.900 175.613 177.584 -0.118 0.000 1.098 262 A CA -0.431 51.310 52.037 -0.494 0.000 0.643 262 A CB 1.316 19.454 19.000 -1.436 0.000 1.302 262 A HN 0.570 nan 8.150 nan 0.000 0.446 263 M N 0.983 120.472 119.600 -0.185 0.000 2.322 263 M HA 0.404 4.885 4.480 0.002 0.000 0.286 263 M C -0.280 176.030 176.300 0.017 0.000 1.111 263 M CA -0.290 55.041 55.300 0.052 0.000 0.941 263 M CB 1.990 34.720 32.600 0.216 0.000 1.671 263 M HN 0.746 nan 8.290 nan 0.000 0.470 264 E N 2.622 122.851 120.200 0.048 0.000 2.301 264 E HA 0.064 4.415 4.350 0.002 0.000 0.195 264 E C -0.962 175.600 176.600 -0.062 0.000 1.171 264 E CA -0.088 56.334 56.400 0.037 0.000 1.142 264 E CB -0.824 28.911 29.700 0.058 0.000 1.218 264 E HN 0.694 nan 8.360 nan 0.000 0.448 265 N N 2.249 120.891 118.700 -0.097 0.000 2.356 265 N HA -0.078 4.663 4.740 0.002 0.000 0.252 265 N C 0.076 175.436 175.510 -0.250 0.000 1.241 265 N CA 0.289 53.219 53.050 -0.201 0.000 0.861 265 N CB 0.544 38.887 38.487 -0.241 0.000 1.075 265 N HN 0.122 nan 8.380 nan 0.000 0.461 266 K N 1.291 121.524 120.400 -0.279 0.000 2.430 266 K HA 0.043 4.364 4.320 0.002 0.000 0.280 266 K C 1.150 177.591 176.600 -0.264 0.000 1.063 266 K CA 0.900 57.031 56.287 -0.259 0.000 1.071 266 K CB -0.608 31.743 32.500 -0.249 0.000 0.899 266 K HN 0.727 nan 8.250 nan 0.000 0.473 267 G N 3.127 111.753 108.800 -0.290 0.000 2.196 267 G HA2 -0.272 3.689 3.960 0.002 0.000 0.268 267 G HA3 -0.272 3.689 3.960 0.002 0.000 0.268 267 G C -0.169 174.485 174.900 -0.411 0.000 0.975 267 G CA 0.553 45.468 45.100 -0.307 0.000 0.648 267 G HN 0.636 nan 8.290 nan 0.000 0.538 268 L N 1.141 122.117 121.223 -0.411 0.000 2.448 268 L HA 0.433 4.774 4.340 0.002 0.000 0.257 268 L C -0.116 176.582 176.870 -0.287 0.000 1.504 268 L CA -1.075 53.535 54.840 -0.383 0.000 0.852 268 L CB -0.198 41.580 42.059 -0.469 0.000 1.051 268 L HN 0.259 nan 8.230 nan 0.000 0.518 269 N N 3.172 121.754 118.700 -0.198 0.000 2.492 269 N HA 0.417 5.158 4.740 0.002 0.000 0.260 269 N C -0.719 174.814 175.510 0.039 0.000 1.215 269 N CA -0.054 53.003 53.050 0.012 0.000 0.923 269 N CB 1.155 39.838 38.487 0.325 0.000 1.092 269 N HN 0.392 nan 8.380 nan 0.000 0.448 270 I N 2.603 123.183 120.570 0.016 0.000 2.406 270 I HA 0.327 4.498 4.170 0.002 0.000 0.290 270 I C -0.938 175.041 176.117 -0.229 0.000 0.999 270 I CA -0.515 60.743 61.300 -0.071 0.000 1.124 270 I CB 0.843 38.786 38.000 -0.094 0.000 1.289 270 I HN 0.304 nan 8.210 nan 0.000 0.441 271 F N 4.380 124.053 119.950 -0.461 0.000 2.495 271 F HA 0.353 4.881 4.527 0.002 0.000 0.327 271 F C 0.628 176.084 175.800 -0.572 0.000 1.103 271 F CA -0.882 56.837 58.000 -0.470 0.000 0.949 271 F CB 1.275 40.159 39.000 -0.192 0.000 1.142 271 F HN 0.394 nan 8.300 nan 0.000 0.457 272 N N 1.309 119.728 118.700 -0.469 0.000 2.412 272 N HA -0.078 4.663 4.740 0.002 0.000 0.258 272 N C 0.881 176.383 175.510 -0.012 0.000 1.236 272 N CA 0.527 53.493 53.050 -0.140 0.000 0.882 272 N CB 1.097 39.602 38.487 0.029 0.000 1.066 272 N HN 0.606 nan 8.380 nan 0.000 0.465 273 S N 3.196 118.882 115.700 -0.024 0.000 2.440 273 S HA -0.200 4.271 4.470 0.002 0.000 0.238 273 S C 1.634 176.197 174.600 -0.061 0.000 1.010 273 S CA 1.196 59.383 58.200 -0.021 0.000 0.972 273 S CB -0.090 63.096 63.200 -0.024 0.000 0.774 273 S HN 0.790 nan 8.310 nan 0.000 0.501 274 K N 0.089 120.397 120.400 -0.152 0.000 2.209 274 K HA -0.115 4.206 4.320 0.002 0.000 0.204 274 K C 0.473 176.903 176.600 -0.284 0.000 1.048 274 K CA 1.324 57.435 56.287 -0.292 0.000 0.940 274 K CB -0.312 31.894 32.500 -0.489 0.000 0.729 274 K HN 0.361 nan 8.250 nan 0.000 0.451 275 Y N 0.552 120.899 120.300 0.078 0.000 2.658 275 Y HA 0.223 4.774 4.550 0.002 0.000 0.276 275 Y C 1.187 177.180 175.900 0.155 0.000 1.167 275 Y CA -0.666 57.521 58.100 0.146 0.000 1.230 275 Y CB 0.883 39.460 38.460 0.196 0.000 1.144 275 Y HN -0.118 nan 8.280 nan 0.000 0.529 276 V N -1.631 118.369 119.914 0.144 0.000 3.102 276 V HA 0.121 4.242 4.120 0.002 0.000 0.225 276 V C 0.475 176.559 176.094 -0.017 0.000 1.301 276 V CA -0.048 62.253 62.300 0.002 0.000 1.308 276 V CB 0.413 32.187 31.823 -0.082 0.000 1.129 276 V HN -0.077 nan 8.190 nan 0.000 0.502 277 L N 1.894 123.097 121.223 -0.034 0.000 2.313 277 L HA 0.713 5.054 4.340 0.002 0.000 0.282 277 L C -0.181 176.625 176.870 -0.106 0.000 1.092 277 L CA 0.087 54.892 54.840 -0.057 0.000 0.831 277 L CB 0.822 42.848 42.059 -0.054 0.000 1.159 277 L HN 0.313 nan 8.230 nan 0.000 0.442 278 A N 4.937 127.684 122.820 -0.122 0.000 2.488 278 A HA 0.842 5.163 4.320 0.002 0.000 0.298 278 A C -0.810 176.692 177.584 -0.137 0.000 1.044 278 A CA -0.757 51.116 52.037 -0.274 0.000 0.693 278 A CB 1.754 20.356 19.000 -0.665 0.000 1.272 278 A HN 0.846 nan 8.150 nan 0.000 0.402 279 R N -0.365 120.076 120.500 -0.098 0.000 2.817 279 R HA 0.682 5.023 4.340 0.002 0.000 0.268 279 R C 0.590 176.933 176.300 0.073 0.000 1.027 279 R CA -0.089 56.039 56.100 0.047 0.000 0.928 279 R CB 0.755 31.075 30.300 0.033 0.000 1.228 279 R HN 0.638 nan 8.270 nan 0.000 0.469 280 T N -2.877 111.729 114.554 0.087 0.000 2.962 280 T HA -0.145 4.206 4.350 0.002 0.000 0.270 280 T C 0.992 175.595 174.700 -0.163 0.000 1.088 280 T CA 1.422 63.495 62.100 -0.045 0.000 1.127 280 T CB -0.433 68.337 68.868 -0.162 0.000 0.883 280 T HN 0.743 nan 8.240 nan 0.000 0.493 281 D N 1.472 121.824 120.400 -0.080 0.000 2.350 281 D HA -0.017 4.624 4.640 0.002 0.000 0.213 281 D C 1.803 177.997 176.300 -0.176 0.000 1.031 281 D CA 1.028 54.996 54.000 -0.053 0.000 0.861 281 D CB -0.438 40.424 40.800 0.103 0.000 0.926 281 D HN 0.629 nan 8.370 nan 0.000 0.520 282 T N -3.415 110.994 114.554 -0.241 0.000 2.969 282 T HA 0.541 4.892 4.350 0.002 0.000 0.250 282 T C 0.761 175.269 174.700 -0.320 0.000 1.021 282 T CA 0.117 61.946 62.100 -0.451 0.000 1.003 282 T CB 0.401 69.053 68.868 -0.361 0.000 1.040 282 T HN 0.221 nan 8.240 nan 0.000 0.492 283 A N 2.005 124.706 122.820 -0.198 0.000 2.365 283 A HA 0.739 5.060 4.320 0.002 0.000 0.318 283 A C 0.299 177.879 177.584 -0.005 0.000 1.091 283 A CA -0.627 51.314 52.037 -0.159 0.000 0.763 283 A CB 1.386 20.178 19.000 -0.346 0.000 1.248 283 A HN 0.471 nan 8.150 nan 0.000 0.442 284 T N -0.976 113.592 114.554 0.022 0.000 2.862 284 T HA 0.323 4.674 4.350 0.002 0.000 0.276 284 T C 0.329 175.164 174.700 0.225 0.000 0.974 284 T CA -0.135 62.021 62.100 0.093 0.000 0.966 284 T CB 0.637 69.536 68.868 0.051 0.000 1.072 284 T HN 0.459 nan 8.240 nan 0.000 0.538 285 D N 0.045 120.550 120.400 0.175 0.000 2.133 285 D HA -0.145 4.496 4.640 0.002 0.000 0.195 285 D C 1.867 178.244 176.300 0.128 0.000 0.997 285 D CA 1.447 55.519 54.000 0.120 0.000 0.840 285 D CB -0.177 40.642 40.800 0.032 0.000 0.947 285 D HN 0.726 nan 8.370 nan 0.000 0.452 286 K N 0.606 121.066 120.400 0.100 0.000 2.032 286 K HA -0.172 4.149 4.320 0.002 0.000 0.209 286 K C 1.443 178.115 176.600 0.121 0.000 1.048 286 K CA 1.494 57.837 56.287 0.092 0.000 0.927 286 K CB 0.107 32.647 32.500 0.066 0.000 0.712 286 K HN -0.042 nan 8.250 nan 0.000 0.441 287 D N -0.049 120.410 120.400 0.098 0.000 2.104 287 D HA -0.186 4.455 4.640 0.002 0.000 0.194 287 D C 1.905 178.262 176.300 0.094 0.000 0.994 287 D CA 1.354 55.392 54.000 0.063 0.000 0.830 287 D CB -0.541 40.224 40.800 -0.057 0.000 0.959 287 D HN 0.300 nan 8.370 nan 0.000 0.452 288 Y N 0.971 121.283 120.300 0.020 0.000 2.128 288 Y HA -0.142 4.409 4.550 0.002 0.000 0.284 288 Y C 2.566 178.642 175.900 0.293 0.000 1.154 288 Y CA 0.907 58.998 58.100 -0.015 0.000 1.149 288 Y CB -0.388 37.792 38.460 -0.467 0.000 0.976 288 Y HN -0.044 nan 8.280 nan 0.000 0.505 289 L N -0.764 120.648 121.223 0.314 0.000 2.156 289 L HA -0.187 4.154 4.340 0.002 0.000 0.208 289 L C 1.786 178.792 176.870 0.227 0.000 1.095 289 L CA 0.959 55.960 54.840 0.267 0.000 0.770 289 L CB -0.453 41.701 42.059 0.158 0.000 0.914 289 L HN 0.189 nan 8.230 nan 0.000 0.439 290 D N 0.484 121.014 120.400 0.216 0.000 2.117 290 D HA -0.126 4.515 4.640 0.002 0.000 0.198 290 D C 2.289 178.717 176.300 0.214 0.000 0.982 290 D CA 1.192 55.309 54.000 0.195 0.000 0.828 290 D CB 0.016 40.995 40.800 0.299 0.000 0.967 290 D HN 0.279 nan 8.370 nan 0.000 0.464 291 I N 0.968 121.732 120.570 0.324 0.000 2.179 291 I HA -0.236 3.935 4.170 0.002 0.000 0.242 291 I C 2.469 178.698 176.117 0.187 0.000 1.088 291 I CA 1.052 62.534 61.300 0.302 0.000 1.357 291 I CB -0.185 38.020 38.000 0.343 0.000 1.051 291 I HN 0.021 nan 8.210 nan 0.000 0.409 292 E N 1.374 121.730 120.200 0.260 0.000 2.058 292 E HA -0.324 4.027 4.350 0.002 0.000 0.194 292 E C 2.374 179.102 176.600 0.214 0.000 0.997 292 E CA 1.621 58.117 56.400 0.161 0.000 0.801 292 E CB -0.087 29.757 29.700 0.240 0.000 0.746 292 E HN 0.314 nan 8.360 nan 0.000 0.450 293 R N -0.008 120.591 120.500 0.165 0.000 2.083 293 R HA -0.141 4.200 4.340 0.002 0.000 0.237 293 R C 2.195 178.542 176.300 0.080 0.000 1.137 293 R CA 1.812 57.994 56.100 0.136 0.000 0.951 293 R CB -0.136 30.194 30.300 0.050 0.000 0.851 293 R HN 0.140 nan 8.270 nan 0.000 0.434 294 V N 0.916 120.820 119.914 -0.017 0.000 2.446 294 V HA -0.150 3.971 4.120 0.002 0.000 0.244 294 V C 2.402 178.583 176.094 0.146 0.000 1.039 294 V CA 1.001 63.249 62.300 -0.087 0.000 1.045 294 V CB -0.293 31.253 31.823 -0.461 0.000 0.681 294 V HN 0.295 nan 8.190 nan 0.000 0.459 295 I N 1.455 122.155 120.570 0.217 0.000 2.151 295 I HA -0.222 3.949 4.170 0.002 0.000 0.243 295 I C 2.628 178.668 176.117 -0.127 0.000 1.080 295 I CA 2.276 63.657 61.300 0.134 0.000 1.339 295 I CB -1.732 36.185 38.000 -0.139 0.000 1.039 295 I HN 0.407 nan 8.210 nan 0.000 0.409 296 G N -0.402 108.222 108.800 -0.293 0.000 2.459 296 G HA2 -0.336 3.625 3.960 0.002 0.000 0.217 296 G HA3 -0.336 3.625 3.960 0.002 0.000 0.217 296 G C 1.606 175.855 174.900 -1.084 0.000 1.183 296 G CA 1.354 45.855 45.100 -0.998 0.000 0.776 296 G HN 0.458 nan 8.290 nan 0.000 0.552 297 H N 0.856 119.699 119.070 -0.378 0.000 2.265 297 H HA -0.124 4.433 4.556 0.002 0.000 0.293 297 H C 2.562 177.801 175.328 -0.149 0.000 1.089 297 H CA 2.311 58.271 56.048 -0.146 0.000 1.244 297 H CB 0.153 29.893 29.762 -0.038 0.000 1.355 297 H HN 0.276 nan 8.280 nan 0.000 0.485 298 E N -0.380 119.894 120.200 0.123 0.000 2.106 298 E HA -0.202 4.149 4.350 0.002 0.000 0.192 298 E C 2.124 178.804 176.600 0.134 0.000 0.984 298 E CA 1.037 57.570 56.400 0.221 0.000 0.806 298 E CB -0.749 29.096 29.700 0.241 0.000 0.750 298 E HN 0.646 nan 8.360 nan 0.000 0.458 299 Y N 0.896 121.103 120.300 -0.154 0.000 2.181 299 Y HA -0.225 4.326 4.550 0.002 0.000 0.288 299 Y C 1.934 177.787 175.900 -0.077 0.000 1.146 299 Y CA 1.348 59.332 58.100 -0.194 0.000 1.164 299 Y CB -0.334 37.783 38.460 -0.572 0.000 0.982 299 Y HN -0.122 nan 8.280 nan 0.000 0.515 300 F N -0.685 119.194 119.950 -0.118 0.000 2.269 300 F HA -0.180 4.348 4.527 0.002 0.000 0.301 300 F C 2.454 178.158 175.800 -0.159 0.000 1.082 300 F CA 1.200 59.094 58.000 -0.178 0.000 1.360 300 F CB -1.264 37.635 39.000 -0.168 0.000 1.041 300 F HN 0.229 nan 8.300 nan 0.000 0.512 301 H N -0.246 118.817 119.070 -0.013 0.000 2.518 301 H HA -0.123 4.434 4.556 0.002 0.000 0.289 301 H C 1.989 177.288 175.328 -0.049 0.000 1.051 301 H CA 1.063 57.106 56.048 -0.008 0.000 1.280 301 H CB -0.514 29.247 29.762 -0.001 0.000 1.380 301 H HN 0.244 nan 8.280 nan 0.000 0.566 302 N N 0.013 118.691 118.700 -0.037 0.000 2.137 302 N HA -0.189 4.552 4.740 0.002 0.000 0.190 302 N C 1.564 176.833 175.510 -0.400 0.000 1.017 302 N CA 1.540 54.452 53.050 -0.230 0.000 0.859 302 N CB -0.120 38.189 38.487 -0.297 0.000 1.002 302 N HN 0.272 nan 8.380 nan 0.000 0.428 303 W N -0.397 120.839 121.300 -0.107 0.000 2.678 303 W HA 0.217 4.879 4.660 0.002 0.000 0.282 303 W C 0.765 177.404 176.519 0.199 0.000 1.137 303 W CA 0.767 58.061 57.345 -0.086 0.000 1.515 303 W CB -0.621 28.669 29.460 -0.284 0.000 1.101 303 W HN -0.045 nan 8.180 nan 0.000 0.564 304 T N -1.172 113.656 114.554 0.455 0.000 3.579 304 T HA 0.629 4.980 4.350 0.002 0.000 0.328 304 T C 0.635 175.564 174.700 0.380 0.000 1.481 304 T CA 0.267 62.629 62.100 0.437 0.000 1.144 304 T CB 0.012 69.059 68.868 0.298 0.000 1.205 304 T HN 0.338 nan 8.240 nan 0.000 0.812 305 G N 3.073 112.064 108.800 0.317 0.000 3.675 305 G HA2 -0.179 3.782 3.960 0.002 0.000 0.206 305 G HA3 -0.179 3.782 3.960 0.002 0.000 0.206 305 G C 0.810 175.786 174.900 0.127 0.000 1.086 305 G CA -0.147 45.109 45.100 0.260 0.000 0.894 305 G HN 0.489 nan 8.290 nan 0.000 0.412 306 N N 0.499 119.208 118.700 0.015 0.000 2.413 306 N HA 0.167 4.908 4.740 0.002 0.000 0.193 306 N C 2.059 177.452 175.510 -0.195 0.000 1.043 306 N CA 0.637 53.603 53.050 -0.140 0.000 0.910 306 N CB -0.305 38.035 38.487 -0.246 0.000 1.111 306 N HN 0.072 nan 8.380 nan 0.000 0.452 307 R N 0.652 120.960 120.500 -0.321 0.000 2.096 307 R HA 0.080 4.421 4.340 0.002 0.000 0.235 307 R C -0.045 176.228 176.300 -0.046 0.000 1.127 307 R CA 0.525 56.413 56.100 -0.352 0.000 0.968 307 R CB -0.383 29.441 30.300 -0.792 0.000 0.861 307 R HN 0.100 nan 8.270 nan 0.000 0.440 308 V N 0.937 120.909 119.914 0.097 0.000 2.409 308 V HA 0.222 4.343 4.120 0.002 0.000 0.291 308 V C 0.376 176.547 176.094 0.127 0.000 1.020 308 V CA -0.475 61.893 62.300 0.114 0.000 0.848 308 V CB 1.849 33.712 31.823 0.065 0.000 0.990 308 V HN 0.105 nan 8.190 nan 0.000 0.430 309 T N 3.522 118.126 114.554 0.084 0.000 2.864 309 T HA 0.438 4.789 4.350 0.002 0.000 0.276 309 T C -0.341 174.387 174.700 0.047 0.000 1.006 309 T CA -0.302 61.858 62.100 0.100 0.000 0.970 309 T CB 1.383 70.314 68.868 0.106 0.000 1.420 309 T HN 0.699 nan 8.240 nan 0.000 0.601 310 C N 2.189 121.476 119.300 -0.023 0.000 2.319 310 C HA 0.517 4.978 4.460 0.002 0.000 0.335 310 C C 1.959 176.822 174.990 -0.212 0.000 1.274 310 C CA -0.721 58.211 59.018 -0.143 0.000 1.806 310 C CB 0.566 28.140 27.740 -0.277 0.000 2.329 310 C HN 1.036 nan 8.230 nan 0.000 0.524 311 R N 1.326 121.714 120.500 -0.187 0.000 2.096 311 R HA -0.094 4.247 4.340 0.002 0.000 0.235 311 R C -0.006 176.152 176.300 -0.237 0.000 1.127 311 R CA 2.006 57.982 56.100 -0.206 0.000 0.968 311 R CB 0.145 30.268 30.300 -0.295 0.000 0.861 311 R HN 1.003 nan 8.270 nan 0.000 0.440 312 D N -4.851 115.376 120.400 -0.289 0.000 2.639 312 D HA 0.053 4.694 4.640 0.002 0.000 0.271 312 D C -0.337 175.765 176.300 -0.330 0.000 1.254 312 D CA -0.801 53.050 54.000 -0.249 0.000 0.810 312 D CB -0.457 40.383 40.800 0.067 0.000 1.351 312 D HN -0.049 nan 8.370 nan 0.000 0.427 313 W N -0.770 120.449 121.300 -0.136 0.000 2.595 313 W HA 0.090 4.751 4.660 0.002 0.000 0.257 313 W C 1.181 177.483 176.519 -0.362 0.000 1.267 313 W CA -0.327 56.844 57.345 -0.291 0.000 1.300 313 W CB -0.248 29.000 29.460 -0.353 0.000 1.120 313 W HN 0.311 nan 8.180 nan 0.000 0.618 314 F N 0.275 120.275 119.950 0.083 0.000 2.408 314 F HA -0.186 4.342 4.527 0.002 0.000 0.300 314 F C 2.109 177.924 175.800 0.025 0.000 1.090 314 F CA 0.926 58.934 58.000 0.014 0.000 1.427 314 F CB -0.717 38.276 39.000 -0.011 0.000 1.070 314 F HN -0.077 nan 8.300 nan 0.000 0.549 315 Q N 0.341 120.219 119.800 0.130 0.000 2.247 315 Q HA 0.072 4.413 4.340 0.002 0.000 0.205 315 Q C 2.051 178.086 176.000 0.059 0.000 0.896 315 Q CA 0.043 55.889 55.803 0.071 0.000 0.950 315 Q CB -0.390 28.340 28.738 -0.014 0.000 1.054 315 Q HN 0.417 nan 8.270 nan 0.000 0.482 316 L N 0.724 121.996 121.223 0.082 0.000 2.051 316 L HA -0.210 4.131 4.340 0.002 0.000 0.214 316 L C 2.169 179.049 176.870 0.016 0.000 1.076 316 L CA 1.962 56.843 54.840 0.068 0.000 0.758 316 L CB -0.845 41.204 42.059 -0.018 0.000 0.890 316 L HN 0.133 nan 8.230 nan 0.000 0.433 317 S N -1.280 114.440 115.700 0.034 0.000 2.442 317 S HA -0.157 4.314 4.470 0.002 0.000 0.236 317 S C 1.947 176.541 174.600 -0.011 0.000 1.007 317 S CA 1.115 59.320 58.200 0.008 0.000 0.965 317 S CB -0.561 62.676 63.200 0.062 0.000 0.773 317 S HN 0.475 nan 8.310 nan 0.000 0.504 318 L N 2.402 123.632 121.223 0.012 0.000 2.051 318 L HA -0.182 4.159 4.340 0.002 0.000 0.214 318 L C 2.117 178.927 176.870 -0.100 0.000 1.076 318 L CA 2.455 57.249 54.840 -0.076 0.000 0.758 318 L CB -0.581 41.467 42.059 -0.018 0.000 0.890 318 L HN 0.481 nan 8.230 nan 0.000 0.433 319 K N -2.669 117.739 120.400 0.013 0.000 2.244 319 K HA 0.042 4.363 4.320 0.002 0.000 0.200 319 K C 1.699 178.347 176.600 0.079 0.000 1.052 319 K CA 0.494 56.846 56.287 0.108 0.000 0.980 319 K CB -0.301 32.342 32.500 0.238 0.000 0.838 319 K HN 0.172 nan 8.250 nan 0.000 0.481 320 E N 1.468 121.652 120.200 -0.026 0.000 2.076 320 E HA -0.034 4.317 4.350 0.002 0.000 0.190 320 E C 2.263 178.749 176.600 -0.191 0.000 0.979 320 E CA 1.396 57.657 56.400 -0.233 0.000 0.807 320 E CB -0.428 28.816 29.700 -0.761 0.000 0.761 320 E HN 0.527 nan 8.360 nan 0.000 0.454 321 G N 1.643 110.370 108.800 -0.122 0.000 2.418 321 G HA2 -0.230 3.731 3.960 0.002 0.000 0.217 321 G HA3 -0.230 3.731 3.960 0.002 0.000 0.217 321 G C 1.604 176.506 174.900 0.003 0.000 1.158 321 G CA 0.786 45.862 45.100 -0.040 0.000 0.771 321 G HN 0.224 nan 8.290 nan 0.000 0.545 322 L N 0.843 122.019 121.223 -0.079 0.000 2.109 322 L HA 0.090 4.431 4.340 0.002 0.000 0.207 322 L C 2.759 179.658 176.870 0.049 0.000 1.086 322 L CA 2.352 57.165 54.840 -0.044 0.000 0.760 322 L CB -0.803 41.095 42.059 -0.270 0.000 0.910 322 L HN 0.160 nan 8.230 nan 0.000 0.437 323 T N -1.447 113.059 114.554 -0.080 0.000 2.942 323 T HA -0.070 4.281 4.350 0.002 0.000 0.265 323 T C 1.984 176.636 174.700 -0.080 0.000 1.062 323 T CA 1.257 63.211 62.100 -0.244 0.000 1.139 323 T CB -0.176 68.191 68.868 -0.834 0.000 0.883 323 T HN 0.158 nan 8.240 nan 0.000 0.468 324 V N 1.435 121.412 119.914 0.106 0.000 2.343 324 V HA -0.135 3.986 4.120 0.002 0.000 0.247 324 V C 1.995 178.208 176.094 0.199 0.000 1.051 324 V CA 1.592 64.049 62.300 0.262 0.000 1.036 324 V CB -0.740 31.247 31.823 0.273 0.000 0.654 324 V HN 0.448 nan 8.190 nan 0.000 0.451 325 F N 1.361 121.344 119.950 0.055 0.000 2.091 325 F HA -0.240 4.288 4.527 0.001 0.000 0.299 325 F C 2.538 178.375 175.800 0.062 0.000 1.103 325 F CA 1.954 59.982 58.000 0.047 0.000 1.228 325 F CB -0.297 38.740 39.000 0.062 0.000 0.984 325 F HN -0.024 nan 8.300 nan 0.000 0.477 326 R N 0.273 120.801 120.500 0.047 0.000 2.081 326 R HA -0.184 4.157 4.340 0.002 0.000 0.235 326 R C 2.024 178.207 176.300 -0.195 0.000 1.131 326 R CA 1.794 57.817 56.100 -0.128 0.000 0.960 326 R CB -0.809 29.329 30.300 -0.270 0.000 0.856 326 R HN 0.565 nan 8.270 nan 0.000 0.436 327 D N -0.009 120.444 120.400 0.089 0.000 2.178 327 D HA -0.188 4.453 4.640 0.002 0.000 0.202 327 D C 1.599 177.932 176.300 0.054 0.000 0.974 327 D CA 1.232 55.386 54.000 0.257 0.000 0.841 327 D CB -0.151 40.879 40.800 0.383 0.000 0.953 327 D HN 0.263 nan 8.370 nan 0.000 0.478 328 Q N -0.366 119.398 119.800 -0.059 0.000 2.083 328 Q HA -0.092 4.249 4.340 0.002 0.000 0.198 328 Q C 1.979 177.829 176.000 -0.251 0.000 0.969 328 Q CA 1.082 56.801 55.803 -0.139 0.000 0.838 328 Q CB 0.001 28.659 28.738 -0.134 0.000 0.900 328 Q HN 0.334 nan 8.270 nan 0.000 0.436 329 E N 0.328 120.314 120.200 -0.357 0.000 2.106 329 E HA -0.155 4.196 4.350 0.002 0.000 0.192 329 E C 1.681 178.109 176.600 -0.288 0.000 0.984 329 E CA 0.685 56.920 56.400 -0.274 0.000 0.806 329 E CB -0.209 29.378 29.700 -0.188 0.000 0.750 329 E HN 0.269 nan 8.360 nan 0.000 0.458 330 F N 2.023 121.408 119.950 -0.942 0.000 2.051 330 F HA -0.176 4.352 4.527 0.001 0.000 0.296 330 F C 2.392 177.803 175.800 -0.648 0.000 1.122 330 F CA 1.606 58.711 58.000 -1.491 0.000 1.201 330 F CB -0.559 37.663 39.000 -1.298 0.000 0.978 330 F HN -0.137 nan 8.300 nan 0.000 0.472 331 S N -0.106 115.270 115.700 -0.541 0.000 2.370 331 S HA -0.187 4.284 4.470 0.002 0.000 0.226 331 S C 2.189 176.557 174.600 -0.387 0.000 1.033 331 S CA 1.490 59.402 58.200 -0.481 0.000 1.011 331 S CB -0.586 62.478 63.200 -0.227 0.000 0.852 331 S HN 0.458 nan 8.310 nan 0.000 0.457 332 S N 1.401 116.922 115.700 -0.299 0.000 2.383 332 S HA -0.082 4.389 4.470 0.002 0.000 0.227 332 S C 1.519 175.996 174.600 -0.206 0.000 1.026 332 S CA 1.001 59.065 58.200 -0.228 0.000 0.981 332 S CB -0.394 62.698 63.200 -0.181 0.000 0.818 332 S HN 0.427 nan 8.310 nan 0.000 0.472 333 D N 1.245 121.540 120.400 -0.174 0.000 2.097 333 D HA -0.011 4.630 4.640 0.002 0.000 0.197 333 D C 1.775 177.995 176.300 -0.133 0.000 0.984 333 D CA 0.803 54.771 54.000 -0.052 0.000 0.826 333 D CB -0.279 40.648 40.800 0.211 0.000 0.973 333 D HN 0.182 nan 8.370 nan 0.000 0.460 334 L N -0.113 120.942 121.223 -0.280 0.000 2.156 334 L HA 0.143 4.484 4.340 0.002 0.000 0.208 334 L C 1.730 178.331 176.870 -0.447 0.000 1.095 334 L CA 1.050 55.727 54.840 -0.272 0.000 0.770 334 L CB -0.613 41.229 42.059 -0.361 0.000 0.914 334 L HN -0.009 nan 8.230 nan 0.000 0.439 335 G N -2.511 105.901 108.800 -0.646 0.000 3.099 335 G HA2 0.287 4.248 3.960 0.002 0.000 0.151 335 G HA3 0.287 4.248 3.960 0.002 0.000 0.151 335 G C -0.666 173.907 174.900 -0.545 0.000 1.265 335 G CA -0.036 44.372 45.100 -1.152 0.000 0.981 335 G HN -0.015 nan 8.290 nan 0.000 0.601 336 S N -0.644 114.831 115.700 -0.375 0.000 2.416 336 S HA 0.193 4.664 4.470 0.002 0.000 0.287 336 S C 1.465 175.967 174.600 -0.164 0.000 1.139 336 S CA -0.302 57.781 58.200 -0.195 0.000 1.058 336 S CB 0.912 64.041 63.200 -0.119 0.000 0.967 336 S HN 0.583 nan 8.310 nan 0.000 0.495 337 R N 4.391 124.810 120.500 -0.135 0.000 2.081 337 R HA -0.084 4.257 4.340 0.002 0.000 0.235 337 R C 2.166 178.414 176.300 -0.087 0.000 1.131 337 R CA 1.802 57.834 56.100 -0.113 0.000 0.960 337 R CB -0.667 29.581 30.300 -0.087 0.000 0.856 337 R HN 0.765 nan 8.270 nan 0.000 0.436 338 A N 0.230 123.014 122.820 -0.060 0.000 1.877 338 A HA -0.119 4.202 4.320 0.002 0.000 0.216 338 A C 2.269 179.804 177.584 -0.082 0.000 1.186 338 A CA 1.741 53.762 52.037 -0.027 0.000 0.620 338 A CB -0.631 18.365 19.000 -0.007 0.000 0.822 338 A HN 0.235 nan 8.150 nan 0.000 0.443 339 V N 0.981 120.827 119.914 -0.112 0.000 2.358 339 V HA -0.257 3.864 4.120 0.002 0.000 0.246 339 V C 2.334 178.333 176.094 -0.159 0.000 1.047 339 V CA 2.017 64.226 62.300 -0.152 0.000 1.035 339 V CB -0.953 30.803 31.823 -0.111 0.000 0.658 339 V HN 0.568 nan 8.190 nan 0.000 0.452 340 N N 0.209 118.829 118.700 -0.133 0.000 2.069 340 N HA -0.222 4.519 4.740 0.002 0.000 0.191 340 N C 2.070 177.501 175.510 -0.131 0.000 1.031 340 N CA 1.670 54.643 53.050 -0.128 0.000 0.852 340 N CB -0.250 38.157 38.487 -0.135 0.000 1.018 340 N HN 0.301 nan 8.380 nan 0.000 0.423 341 R N 1.448 121.875 120.500 -0.121 0.000 2.073 341 R HA 0.071 4.412 4.340 0.002 0.000 0.234 341 R C 2.253 178.488 176.300 -0.108 0.000 1.134 341 R CA 0.898 56.926 56.100 -0.119 0.000 0.952 341 R CB -0.709 29.512 30.300 -0.132 0.000 0.850 341 R HN 0.219 nan 8.270 nan 0.000 0.433 342 I N 0.791 121.268 120.570 -0.155 0.000 2.151 342 I HA -0.355 3.816 4.170 0.002 0.000 0.243 342 I C 1.759 177.575 176.117 -0.502 0.000 1.080 342 I CA 1.567 62.540 61.300 -0.546 0.000 1.339 342 I CB -0.416 36.990 38.000 -0.991 0.000 1.039 342 I HN 0.270 nan 8.210 nan 0.000 0.409 343 N N 0.821 119.327 118.700 -0.324 0.000 2.188 343 N HA -0.135 4.606 4.740 0.002 0.000 0.184 343 N C 1.524 176.946 175.510 -0.147 0.000 1.018 343 N CA 1.106 54.030 53.050 -0.211 0.000 0.858 343 N CB -0.496 37.906 38.487 -0.143 0.000 0.989 343 N HN 0.390 nan 8.380 nan 0.000 0.426 344 N N 0.582 119.203 118.700 -0.131 0.000 2.244 344 N HA -0.057 4.684 4.740 0.002 0.000 0.183 344 N C 1.827 177.258 175.510 -0.131 0.000 1.016 344 N CA 0.435 53.430 53.050 -0.091 0.000 0.866 344 N CB -0.271 38.181 38.487 -0.058 0.000 0.980 344 N HN 0.053 nan 8.380 nan 0.000 0.430 345 V N 1.547 121.346 119.914 -0.191 0.000 2.379 345 V HA -0.134 3.987 4.120 0.002 0.000 0.245 345 V C 2.282 178.217 176.094 -0.266 0.000 1.044 345 V CA 1.257 63.347 62.300 -0.350 0.000 1.036 345 V CB -0.362 31.309 31.823 -0.253 0.000 0.664 345 V HN 0.233 nan 8.190 nan 0.000 0.453 346 R N -0.117 120.309 120.500 -0.123 0.000 2.091 346 R HA -0.165 4.176 4.340 0.002 0.000 0.238 346 R C 2.389 178.635 176.300 -0.090 0.000 1.136 346 R CA 2.007 58.084 56.100 -0.039 0.000 0.959 346 R CB -0.732 29.564 30.300 -0.006 0.000 0.856 346 R HN 0.489 nan 8.270 nan 0.000 0.437 347 T N 0.848 115.344 114.554 -0.097 0.000 2.777 347 T HA -0.080 4.271 4.350 0.002 0.000 0.266 347 T C 1.852 176.492 174.700 -0.101 0.000 1.040 347 T CA 1.003 63.062 62.100 -0.068 0.000 1.141 347 T CB -0.013 68.834 68.868 -0.035 0.000 0.868 347 T HN 0.073 nan 8.240 nan 0.000 0.444 348 M N 1.093 120.594 119.600 -0.165 0.000 2.086 348 M HA -0.003 4.478 4.480 0.002 0.000 0.261 348 M C 2.313 178.262 176.300 -0.585 0.000 1.067 348 M CA 1.625 56.797 55.300 -0.212 0.000 1.116 348 M CB -0.873 31.654 32.600 -0.122 0.000 1.348 348 M HN 0.222 nan 8.290 nan 0.000 0.407 349 R N -0.961 119.110 120.500 -0.715 0.000 2.093 349 R HA 0.028 4.369 4.340 0.002 0.000 0.224 349 R C 2.341 178.467 176.300 -0.290 0.000 1.101 349 R CA 1.206 56.800 56.100 -0.843 0.000 0.979 349 R CB -0.642 29.331 30.300 -0.545 0.000 0.877 349 R HN 0.455 nan 8.270 nan 0.000 0.441 350 G N 0.518 109.229 108.800 -0.149 0.000 2.430 350 G HA2 -0.083 3.878 3.960 0.002 0.000 0.216 350 G HA3 -0.083 3.878 3.960 0.002 0.000 0.216 350 G C 1.317 176.226 174.900 0.015 0.000 1.146 350 G CA 0.362 45.444 45.100 -0.029 0.000 0.793 350 G HN 0.096 nan 8.290 nan 0.000 0.537 351 L N -1.705 119.520 121.223 0.004 0.000 2.641 351 L HA 0.223 4.564 4.340 0.002 0.000 0.207 351 L C 2.502 179.426 176.870 0.088 0.000 1.049 351 L CA 0.089 54.957 54.840 0.046 0.000 0.866 351 L CB -0.321 41.755 42.059 0.029 0.000 1.264 351 L HN 0.018 nan 8.230 nan 0.000 0.483 352 Q N 0.527 120.381 119.800 0.090 0.000 2.083 352 Q HA -0.121 4.220 4.340 0.002 0.000 0.198 352 Q C 2.244 178.436 176.000 0.320 0.000 0.969 352 Q CA 1.727 57.635 55.803 0.175 0.000 0.838 352 Q CB 0.021 28.869 28.738 0.183 0.000 0.900 352 Q HN 0.285 nan 8.270 nan 0.000 0.436 353 F N 0.816 120.824 119.950 0.096 0.000 2.161 353 F HA -0.146 4.382 4.527 0.002 0.000 0.300 353 F C 2.514 178.361 175.800 0.078 0.000 1.089 353 F CA 0.877 58.937 58.000 0.100 0.000 1.282 353 F CB -1.381 37.688 39.000 0.115 0.000 1.010 353 F HN 0.149 nan 8.300 nan 0.000 0.485 354 A N -0.344 122.638 122.820 0.271 0.000 1.908 354 A HA -0.260 4.061 4.320 0.002 0.000 0.218 354 A C 2.255 179.923 177.584 0.139 0.000 1.181 354 A CA 1.884 54.025 52.037 0.173 0.000 0.627 354 A CB -0.940 18.146 19.000 0.143 0.000 0.818 354 A HN 0.436 nan 8.150 nan 0.000 0.445 355 E N -0.567 119.714 120.200 0.135 0.000 2.077 355 E HA -0.232 4.119 4.350 0.002 0.000 0.193 355 E C 1.202 177.854 176.600 0.087 0.000 0.989 355 E CA 1.233 57.695 56.400 0.104 0.000 0.800 355 E CB -0.151 29.605 29.700 0.094 0.000 0.746 355 E HN 0.464 nan 8.360 nan 0.000 0.452 356 D N -0.635 119.819 120.400 0.090 0.000 2.350 356 D HA -0.040 4.601 4.640 0.002 0.000 0.216 356 D C 1.241 177.569 176.300 0.046 0.000 0.968 356 D CA 0.829 54.859 54.000 0.051 0.000 0.894 356 D CB 0.199 41.025 40.800 0.042 0.000 0.909 356 D HN 0.289 nan 8.370 nan 0.000 0.520 357 A N -0.025 122.835 122.820 0.067 0.000 2.147 357 A HA 0.108 4.429 4.320 0.002 0.000 0.211 357 A C 1.311 178.933 177.584 0.063 0.000 1.160 357 A CA 0.210 52.281 52.037 0.056 0.000 0.781 357 A CB 0.039 19.077 19.000 0.064 0.000 0.842 357 A HN 0.228 nan 8.150 nan 0.000 0.475 358 S N -0.751 114.995 115.700 0.076 0.000 2.681 358 S HA 0.419 4.890 4.470 0.002 0.000 0.270 358 S C -1.902 172.745 174.600 0.078 0.000 1.209 358 S CA -0.960 57.288 58.200 0.081 0.000 0.988 358 S CB 0.812 64.066 63.200 0.089 0.000 1.006 358 S HN -0.009 nan 8.310 nan 0.000 0.558 359 P HA 0.005 nan 4.420 nan 0.000 0.221 359 P C 1.034 178.383 177.300 0.081 0.000 1.145 359 P CA 1.003 64.143 63.100 0.067 0.000 0.795 359 P CB 0.038 31.767 31.700 0.048 0.000 0.775 360 M N -1.328 118.323 119.600 0.086 0.000 2.563 360 M HA 0.175 4.656 4.480 0.002 0.000 0.231 360 M C 0.556 177.003 176.300 0.246 0.000 1.136 360 M CA -0.618 54.746 55.300 0.107 0.000 1.026 360 M CB -1.221 31.400 32.600 0.034 0.000 1.597 360 M HN -0.206 nan 8.290 nan 0.000 0.495 361 A N 2.082 125.016 122.820 0.189 0.000 2.565 361 A HA 0.221 4.542 4.320 0.002 0.000 0.237 361 A C 0.084 177.845 177.584 0.294 0.000 1.053 361 A CA 0.499 52.638 52.037 0.170 0.000 0.755 361 A CB -0.237 18.821 19.000 0.097 0.000 0.980 361 A HN 0.668 nan 8.150 nan 0.000 0.506 362 H N -0.210 118.958 119.070 0.163 0.000 3.046 362 H HA 0.611 5.168 4.556 0.002 0.000 0.361 362 H C -3.422 172.012 175.328 0.176 0.000 1.235 362 H CA -2.433 53.741 56.048 0.210 0.000 1.146 362 H CB 0.638 30.612 29.762 0.353 0.000 1.859 362 H HN 0.342 nan 8.280 nan 0.000 0.548 363 P HA 0.102 nan 4.420 nan 0.000 0.272 363 P C 1.695 179.111 177.300 0.194 0.000 1.240 363 P CA -0.457 62.736 63.100 0.155 0.000 0.791 363 P CB 1.064 32.866 31.700 0.170 0.000 0.978 364 I N -1.490 119.151 120.570 0.119 0.000 2.567 364 I HA -0.078 4.093 4.170 0.002 0.000 0.257 364 I C 1.055 177.296 176.117 0.207 0.000 1.184 364 I CA 1.183 62.558 61.300 0.125 0.000 1.451 364 I CB -0.296 37.690 38.000 -0.023 0.000 1.089 364 I HN 0.141 nan 8.210 nan 0.000 0.441 365 R N 2.714 123.360 120.500 0.243 0.000 2.278 365 R HA 0.445 4.786 4.340 0.002 0.000 0.322 365 R C -2.603 173.851 176.300 0.257 0.000 1.058 365 R CA -2.060 54.203 56.100 0.272 0.000 0.991 365 R CB 0.735 31.225 30.300 0.317 0.000 1.140 365 R HN 0.069 nan 8.270 nan 0.000 0.518 366 P HA 0.036 nan 4.420 nan 0.000 0.270 366 P C -0.477 176.949 177.300 0.210 0.000 1.223 366 P CA -0.048 63.194 63.100 0.236 0.000 0.785 366 P CB 0.841 32.559 31.700 0.031 0.000 0.923 367 D N -0.023 120.451 120.400 0.123 0.000 2.388 367 D HA 0.130 4.771 4.640 0.002 0.000 0.208 367 D C 0.496 176.757 176.300 -0.065 0.000 1.035 367 D CA 0.975 54.972 54.000 -0.005 0.000 0.875 367 D CB 0.364 41.220 40.800 0.093 0.000 0.984 367 D HN 0.286 nan 8.370 nan 0.000 0.508 368 M N 1.176 120.785 119.600 0.014 0.000 2.271 368 M HA 0.368 4.849 4.480 0.002 0.000 0.285 368 M C -2.322 173.881 176.300 -0.163 0.000 1.059 368 M CA -0.461 54.752 55.300 -0.145 0.000 0.940 368 M CB 2.414 34.964 32.600 -0.085 0.000 1.636 368 M HN -0.401 nan 8.290 nan 0.000 0.460 369 V N 6.135 125.937 119.914 -0.188 0.000 2.623 369 V HA 0.398 4.519 4.120 0.002 0.000 0.304 369 V C 0.207 176.241 176.094 -0.099 0.000 1.054 369 V CA -0.362 61.749 62.300 -0.315 0.000 0.882 369 V CB 2.113 33.566 31.823 -0.616 0.000 1.002 369 V HN 0.984 nan 8.190 nan 0.000 0.424 370 I N 1.793 122.400 120.570 0.062 0.000 2.512 370 I HA 0.203 4.374 4.170 0.002 0.000 0.247 370 I C 0.746 176.919 176.117 0.094 0.000 1.094 370 I CA 0.670 62.026 61.300 0.092 0.000 1.427 370 I CB 0.467 38.573 38.000 0.177 0.000 1.149 370 I HN 0.591 nan 8.210 nan 0.000 0.438 371 E N 0.830 121.123 120.200 0.156 0.000 2.186 371 E HA 0.171 4.522 4.350 0.002 0.000 0.255 371 E C 0.398 177.096 176.600 0.164 0.000 0.881 371 E CA -0.395 56.074 56.400 0.115 0.000 0.752 371 E CB 1.367 31.125 29.700 0.098 0.000 1.176 371 E HN 0.085 nan 8.360 nan 0.000 0.421 372 M N 3.946 123.574 119.600 0.048 0.000 2.279 372 M HA -0.023 4.458 4.480 0.002 0.000 0.264 372 M C 0.598 177.002 176.300 0.174 0.000 1.062 372 M CA 1.483 56.801 55.300 0.031 0.000 1.099 372 M CB -0.207 32.261 32.600 -0.219 0.000 1.394 372 M HN 0.441 nan 8.290 nan 0.000 0.426 373 N N 0.464 119.211 118.700 0.077 0.000 2.443 373 N HA -0.097 4.644 4.740 0.002 0.000 0.184 373 N C 0.783 176.366 175.510 0.123 0.000 1.037 373 N CA 0.736 53.824 53.050 0.062 0.000 0.896 373 N CB -0.587 37.835 38.487 -0.109 0.000 0.959 373 N HN 0.452 nan 8.380 nan 0.000 0.442 374 N N -0.123 118.632 118.700 0.093 0.000 2.515 374 N HA 0.003 4.744 4.740 0.002 0.000 0.185 374 N C 0.141 175.425 175.510 -0.378 0.000 1.109 374 N CA 0.326 53.299 53.050 -0.129 0.000 0.903 374 N CB -0.076 38.273 38.487 -0.230 0.000 0.969 374 N HN 0.247 nan 8.380 nan 0.000 0.450 375 F N -1.079 118.866 119.950 -0.008 0.000 2.668 375 F HA 0.237 4.765 4.527 0.002 0.000 0.301 375 F C -0.209 175.511 175.800 -0.132 0.000 1.106 375 F CA -0.518 57.402 58.000 -0.133 0.000 1.289 375 F CB 0.053 38.909 39.000 -0.240 0.000 1.006 375 F HN -0.113 nan 8.300 nan 0.000 0.535 376 Y N 1.307 121.673 120.300 0.109 0.000 2.736 376 Y HA 0.236 4.787 4.550 0.002 0.000 0.339 376 Y C 0.987 176.899 175.900 0.019 0.000 1.301 376 Y CA -0.926 57.278 58.100 0.172 0.000 1.676 376 Y CB -0.669 37.822 38.460 0.052 0.000 1.725 376 Y HN -0.026 nan 8.280 nan 0.000 0.466 377 T N -3.579 111.108 114.554 0.221 0.000 2.950 377 T HA 0.374 4.725 4.350 0.002 0.000 0.288 377 T C 1.109 175.918 174.700 0.183 0.000 1.035 377 T CA -0.882 61.316 62.100 0.163 0.000 1.028 377 T CB 1.204 70.243 68.868 0.284 0.000 1.109 377 T HN 0.368 nan 8.240 nan 0.000 0.514 378 L N 0.338 121.629 121.223 0.113 0.000 2.089 378 L HA -0.152 4.189 4.340 0.002 0.000 0.213 378 L C 2.972 179.943 176.870 0.169 0.000 1.079 378 L CA 1.714 56.628 54.840 0.123 0.000 0.758 378 L CB -1.090 41.023 42.059 0.090 0.000 0.891 378 L HN 0.846 nan 8.230 nan 0.000 0.433 379 T N -1.060 113.584 114.554 0.149 0.000 2.701 379 T HA -0.132 4.219 4.350 0.002 0.000 0.263 379 T C 1.968 176.766 174.700 0.164 0.000 1.040 379 T CA 1.386 63.534 62.100 0.079 0.000 1.147 379 T CB -0.201 68.529 68.868 -0.229 0.000 0.865 379 T HN 0.047 nan 8.240 nan 0.000 0.426 380 V N 0.129 120.216 119.914 0.289 0.000 2.407 380 V HA -0.148 3.973 4.120 0.002 0.000 0.248 380 V C 2.040 178.252 176.094 0.197 0.000 1.055 380 V CA 1.577 64.030 62.300 0.255 0.000 1.049 380 V CB -0.634 31.361 31.823 0.287 0.000 0.662 380 V HN 0.458 nan 8.190 nan 0.000 0.455 381 Y N 0.374 120.742 120.300 0.113 0.000 2.186 381 Y HA -0.008 4.543 4.550 0.002 0.000 0.286 381 Y C 2.566 178.530 175.900 0.107 0.000 1.109 381 Y CA 1.436 59.609 58.100 0.122 0.000 1.099 381 Y CB -0.524 38.010 38.460 0.122 0.000 1.030 381 Y HN 0.158 nan 8.280 nan 0.000 0.495 382 E N 0.268 120.639 120.200 0.286 0.000 2.046 382 E HA -0.126 4.225 4.350 0.002 0.000 0.190 382 E C 2.064 178.753 176.600 0.149 0.000 0.982 382 E CA 1.173 57.686 56.400 0.188 0.000 0.800 382 E CB -0.122 29.666 29.700 0.148 0.000 0.756 382 E HN 0.226 nan 8.360 nan 0.000 0.449 383 K N 0.078 120.562 120.400 0.140 0.000 2.097 383 K HA -0.088 4.233 4.320 0.002 0.000 0.205 383 K C 2.125 178.738 176.600 0.022 0.000 1.050 383 K CA 1.305 57.651 56.287 0.099 0.000 0.938 383 K CB -0.377 32.187 32.500 0.106 0.000 0.718 383 K HN 0.206 nan 8.250 nan 0.000 0.442 384 G N 0.705 109.526 108.800 0.035 0.000 2.513 384 G HA2 -0.341 3.620 3.960 0.002 0.000 0.219 384 G HA3 -0.341 3.620 3.960 0.002 0.000 0.219 384 G C 1.561 176.453 174.900 -0.012 0.000 1.160 384 G CA 1.176 46.264 45.100 -0.021 0.000 0.767 384 G HN 0.459 nan 8.290 nan 0.000 0.571 385 A N 0.425 123.285 122.820 0.066 0.000 1.930 385 A HA 0.018 4.339 4.320 0.002 0.000 0.217 385 A C 2.242 179.880 177.584 0.090 0.000 1.175 385 A CA 1.890 54.004 52.037 0.128 0.000 0.627 385 A CB -0.281 18.840 19.000 0.201 0.000 0.815 385 A HN 0.305 nan 8.150 nan 0.000 0.443 386 E N 0.051 120.280 120.200 0.048 0.000 2.118 386 E HA -0.129 4.222 4.350 0.002 0.000 0.195 386 E C 2.165 178.671 176.600 -0.157 0.000 0.992 386 E CA 1.339 57.728 56.400 -0.019 0.000 0.804 386 E CB -0.615 29.085 29.700 0.001 0.000 0.741 386 E HN 0.425 nan 8.360 nan 0.000 0.458 387 V N 1.807 121.601 119.914 -0.200 0.000 2.358 387 V HA -0.222 3.899 4.120 0.002 0.000 0.246 387 V C 2.377 178.461 176.094 -0.017 0.000 1.047 387 V CA 1.113 63.273 62.300 -0.233 0.000 1.035 387 V CB -0.381 31.225 31.823 -0.361 0.000 0.658 387 V HN 0.190 nan 8.190 nan 0.000 0.452 388 I N 0.237 120.774 120.570 -0.054 0.000 2.208 388 I HA -0.237 3.934 4.170 0.002 0.000 0.245 388 I C 2.584 178.488 176.117 -0.354 0.000 1.097 388 I CA 1.781 63.012 61.300 -0.116 0.000 1.363 388 I CB -1.239 36.608 38.000 -0.254 0.000 1.051 388 I HN 0.330 nan 8.210 nan 0.000 0.413 389 R N 0.520 120.826 120.500 -0.324 0.000 2.120 389 R HA -0.127 4.214 4.340 0.002 0.000 0.234 389 R C 2.371 178.604 176.300 -0.112 0.000 1.123 389 R CA 1.173 57.154 56.100 -0.198 0.000 0.975 389 R CB -0.054 30.299 30.300 0.087 0.000 0.866 389 R HN 0.252 nan 8.270 nan 0.000 0.446 390 M N 0.032 119.564 119.600 -0.114 0.000 2.159 390 M HA -0.166 4.315 4.480 0.002 0.000 0.263 390 M C 2.134 178.310 176.300 -0.207 0.000 1.063 390 M CA 1.566 56.802 55.300 -0.107 0.000 1.110 390 M CB -0.175 32.395 32.600 -0.050 0.000 1.374 390 M HN 0.194 nan 8.290 nan 0.000 0.411 391 I N -0.906 119.515 120.570 -0.248 0.000 2.163 391 I HA -0.367 3.804 4.170 0.002 0.000 0.243 391 I C 2.697 178.760 176.117 -0.090 0.000 1.085 391 I CA 1.381 62.498 61.300 -0.306 0.000 1.347 391 I CB -0.883 37.044 38.000 -0.121 0.000 1.044 391 I HN 0.409 nan 8.210 nan 0.000 0.408 392 H N 1.022 119.975 119.070 -0.195 0.000 2.352 392 H HA -0.171 4.386 4.556 0.002 0.000 0.299 392 H C 2.173 177.404 175.328 -0.161 0.000 1.097 392 H CA 2.208 58.075 56.048 -0.302 0.000 1.311 392 H CB 0.042 29.405 29.762 -0.665 0.000 1.377 392 H HN 0.256 nan 8.280 nan 0.000 0.504 393 T N 1.440 115.965 114.554 -0.050 0.000 2.708 393 T HA -0.094 4.257 4.350 0.002 0.000 0.266 393 T C 2.432 177.069 174.700 -0.104 0.000 1.037 393 T CA 1.220 63.285 62.100 -0.058 0.000 1.146 393 T CB -0.237 68.611 68.868 -0.033 0.000 0.865 393 T HN 0.241 nan 8.240 nan 0.000 0.435 394 L N -0.150 120.988 121.223 -0.140 0.000 2.141 394 L HA -0.004 4.337 4.340 0.002 0.000 0.209 394 L C 2.063 178.864 176.870 -0.115 0.000 1.094 394 L CA 0.707 55.468 54.840 -0.131 0.000 0.763 394 L CB -0.263 41.658 42.059 -0.230 0.000 0.908 394 L HN 0.213 nan 8.230 nan 0.000 0.437 395 L N -1.155 119.983 121.223 -0.140 0.000 2.357 395 L HA 0.332 4.673 4.340 0.002 0.000 0.211 395 L C 1.037 177.824 176.870 -0.138 0.000 1.075 395 L CA 0.741 55.513 54.840 -0.114 0.000 0.830 395 L CB -0.364 41.653 42.059 -0.071 0.000 0.996 395 L HN 0.248 nan 8.230 nan 0.000 0.467 396 G N -0.134 108.516 108.800 -0.249 0.000 2.733 396 G HA2 -0.280 3.681 3.960 0.002 0.000 0.686 396 G HA3 -0.280 3.681 3.960 0.002 0.000 0.686 396 G C 0.471 175.160 174.900 -0.351 0.000 1.373 396 G CA 0.163 45.081 45.100 -0.303 0.000 0.838 396 G HN 0.194 nan 8.290 nan 0.000 0.588 397 E N 0.132 120.128 120.200 -0.341 0.000 2.070 397 E HA -0.158 4.193 4.350 0.002 0.000 0.197 397 E C 2.237 178.830 176.600 -0.012 0.000 1.004 397 E CA 2.437 58.760 56.400 -0.129 0.000 0.805 397 E CB -0.027 29.683 29.700 0.017 0.000 0.744 397 E HN 0.535 nan 8.360 nan 0.000 0.451 398 E N 0.223 120.399 120.200 -0.040 0.000 2.072 398 E HA -0.125 4.226 4.350 0.002 0.000 0.191 398 E C 1.884 178.470 176.600 -0.022 0.000 0.985 398 E CA 0.853 57.237 56.400 -0.028 0.000 0.801 398 E CB -0.428 29.252 29.700 -0.034 0.000 0.750 398 E HN 0.316 nan 8.360 nan 0.000 0.452 399 N N 0.311 118.992 118.700 -0.032 0.000 2.188 399 N HA -0.112 4.629 4.740 0.002 0.000 0.184 399 N C 1.681 177.173 175.510 -0.031 0.000 1.018 399 N CA 0.455 53.480 53.050 -0.042 0.000 0.858 399 N CB -0.436 38.017 38.487 -0.057 0.000 0.989 399 N HN 0.120 nan 8.380 nan 0.000 0.426 400 F N 2.284 122.149 119.950 -0.142 0.000 2.134 400 F HA -0.158 4.369 4.527 0.001 0.000 0.299 400 F C 2.305 178.070 175.800 -0.059 0.000 1.097 400 F CA 1.353 59.291 58.000 -0.103 0.000 1.264 400 F CB 0.041 39.013 39.000 -0.047 0.000 1.001 400 F HN -0.026 nan 8.300 nan 0.000 0.479 401 Q N 0.674 120.530 119.800 0.094 0.000 2.119 401 Q HA -0.172 4.169 4.340 0.002 0.000 0.201 401 Q C 2.162 178.125 176.000 -0.062 0.000 0.972 401 Q CA 1.419 57.216 55.803 -0.010 0.000 0.847 401 Q CB -0.433 28.281 28.738 -0.040 0.000 0.903 401 Q HN 0.498 nan 8.270 nan 0.000 0.433 402 K N -0.137 120.222 120.400 -0.068 0.000 2.063 402 K HA -0.114 4.207 4.320 0.002 0.000 0.208 402 K C 2.131 178.659 176.600 -0.119 0.000 1.048 402 K CA 1.240 57.483 56.287 -0.074 0.000 0.928 402 K CB -0.358 32.103 32.500 -0.066 0.000 0.713 402 K HN 0.279 nan 8.250 nan 0.000 0.442 403 G N 1.356 110.030 108.800 -0.211 0.000 2.418 403 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 403 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 403 G C 1.473 176.185 174.900 -0.312 0.000 1.158 403 G CA 0.641 45.549 45.100 -0.320 0.000 0.771 403 G HN 0.055 nan 8.290 nan 0.000 0.545 404 M N 0.371 119.785 119.600 -0.310 0.000 2.080 404 M HA -0.113 4.368 4.480 0.002 0.000 0.260 404 M C 2.634 178.910 176.300 -0.040 0.000 1.068 404 M CA 1.348 56.551 55.300 -0.161 0.000 1.109 404 M CB -1.304 31.346 32.600 0.083 0.000 1.342 404 M HN 0.351 nan 8.290 nan 0.000 0.405 405 Q N -0.309 119.516 119.800 0.042 0.000 2.084 405 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 405 Q C 2.090 178.134 176.000 0.074 0.000 0.978 405 Q CA 1.111 56.983 55.803 0.115 0.000 0.844 405 Q CB -0.282 28.488 28.738 0.053 0.000 0.898 405 Q HN 0.301 nan 8.270 nan 0.000 0.426 406 L N -0.344 120.881 121.223 0.002 0.000 2.093 406 L HA -0.163 4.178 4.340 0.002 0.000 0.208 406 L C 2.114 178.999 176.870 0.025 0.000 1.085 406 L CA 1.613 56.449 54.840 -0.007 0.000 0.755 406 L CB -0.688 41.345 42.059 -0.044 0.000 0.904 406 L HN 0.210 nan 8.230 nan 0.000 0.435 407 Y N -0.358 119.859 120.300 -0.138 0.000 2.081 407 Y HA -0.326 4.225 4.550 0.001 0.000 0.280 407 Y C 2.158 178.059 175.900 0.003 0.000 1.163 407 Y CA 2.059 60.111 58.100 -0.080 0.000 1.135 407 Y CB -0.705 37.597 38.460 -0.264 0.000 0.970 407 Y HN 0.217 nan 8.280 nan 0.000 0.498 408 F N 0.593 120.572 119.950 0.048 0.000 2.186 408 F HA -0.095 4.433 4.527 0.001 0.000 0.299 408 F C 2.609 178.396 175.800 -0.022 0.000 1.090 408 F CA 1.645 59.631 58.000 -0.023 0.000 1.307 408 F CB -1.086 37.948 39.000 0.057 0.000 1.019 408 F HN 0.151 nan 8.300 nan 0.000 0.489 409 E N 0.351 120.635 120.200 0.141 0.000 2.085 409 E HA -0.216 4.135 4.350 0.002 0.000 0.194 409 E C 2.347 178.921 176.600 -0.045 0.000 0.994 409 E CA 1.356 57.788 56.400 0.054 0.000 0.801 409 E CB 0.031 29.747 29.700 0.025 0.000 0.743 409 E HN 0.346 nan 8.360 nan 0.000 0.453 410 R N -1.072 119.325 120.500 -0.172 0.000 2.093 410 R HA -0.023 4.318 4.340 0.002 0.000 0.224 410 R C 1.706 177.699 176.300 -0.512 0.000 1.101 410 R CA 1.163 57.006 56.100 -0.428 0.000 0.979 410 R CB 0.030 29.886 30.300 -0.741 0.000 0.877 410 R HN 0.338 nan 8.270 nan 0.000 0.441 411 H N -0.922 118.110 119.070 -0.063 0.000 2.893 411 H HA 0.102 4.659 4.556 0.002 0.000 0.270 411 H C -0.259 175.049 175.328 -0.034 0.000 1.095 411 H CA -0.508 55.485 56.048 -0.091 0.000 1.186 411 H CB 0.202 29.832 29.762 -0.221 0.000 1.562 411 H HN 0.063 nan 8.280 nan 0.000 0.536 412 D N 1.044 121.516 120.400 0.121 0.000 2.586 412 D HA 0.048 4.689 4.640 0.002 0.000 0.234 412 D C 1.441 177.805 176.300 0.107 0.000 1.132 412 D CA 1.771 55.872 54.000 0.167 0.000 0.860 412 D CB 0.281 41.217 40.800 0.226 0.000 1.159 412 D HN 0.621 nan 8.370 nan 0.000 0.490 413 G N 2.290 111.140 108.800 0.083 0.000 2.141 413 G HA2 -0.190 3.771 3.960 0.002 0.000 0.242 413 G HA3 -0.190 3.771 3.960 0.002 0.000 0.242 413 G C 0.265 175.205 174.900 0.067 0.000 0.982 413 G CA 0.656 45.803 45.100 0.077 0.000 0.662 413 G HN 1.120 nan 8.290 nan 0.000 0.527 414 S N -1.208 114.533 115.700 0.069 0.000 2.704 414 S HA 0.906 5.377 4.470 0.002 0.000 0.296 414 S C -0.148 174.482 174.600 0.051 0.000 1.138 414 S CA 0.202 58.442 58.200 0.066 0.000 0.875 414 S CB 2.192 65.447 63.200 0.092 0.000 1.151 414 S HN 1.891 nan 8.310 nan 0.000 0.500 415 A N 0.432 123.273 122.820 0.034 0.000 2.274 415 A HA 0.862 5.183 4.320 0.002 0.000 0.309 415 A C 0.237 177.805 177.584 -0.026 0.000 1.226 415 A CA -0.292 51.746 52.037 0.002 0.000 0.853 415 A CB 0.082 19.074 19.000 -0.013 0.000 1.146 415 A HN 1.563 nan 8.150 nan 0.000 0.518 416 A N 1.748 124.537 122.820 -0.051 0.000 2.414 416 A HA 0.965 5.286 4.320 0.002 0.000 0.278 416 A C 0.302 177.823 177.584 -0.105 0.000 1.228 416 A CA 0.065 52.030 52.037 -0.119 0.000 0.857 416 A CB 0.897 19.754 19.000 -0.239 0.000 1.389 416 A HN 1.539 nan 8.150 nan 0.000 0.452 417 T N -3.647 110.836 114.554 -0.119 0.000 2.942 417 T HA 0.389 4.740 4.350 0.002 0.000 0.289 417 T C 0.960 175.626 174.700 -0.055 0.000 1.044 417 T CA -0.033 62.012 62.100 -0.092 0.000 1.023 417 T CB 0.690 69.490 68.868 -0.113 0.000 1.123 417 T HN 0.619 nan 8.240 nan 0.000 0.512 418 C N 0.541 119.807 119.300 -0.056 0.000 2.401 418 C HA -0.087 4.374 4.460 0.002 0.000 0.276 418 C C 2.516 177.388 174.990 -0.197 0.000 1.233 418 C CA 1.655 60.607 59.018 -0.110 0.000 1.753 418 C CB -1.414 26.245 27.740 -0.135 0.000 2.029 418 C HN 1.141 nan 8.230 nan 0.000 0.478 419 D N 0.522 120.816 120.400 -0.177 0.000 2.144 419 D HA -0.135 4.506 4.640 0.002 0.000 0.199 419 D C 1.655 177.910 176.300 -0.074 0.000 0.984 419 D CA 1.319 55.231 54.000 -0.146 0.000 0.834 419 D CB -0.213 40.533 40.800 -0.090 0.000 0.955 419 D HN 0.402 nan 8.370 nan 0.000 0.465 420 D N -0.561 119.806 120.400 -0.055 0.000 2.123 420 D HA -0.195 4.446 4.640 0.002 0.000 0.196 420 D C 1.763 178.090 176.300 0.046 0.000 0.992 420 D CA 0.663 54.644 54.000 -0.030 0.000 0.833 420 D CB -0.477 40.157 40.800 -0.276 0.000 0.954 420 D HN 0.309 nan 8.370 nan 0.000 0.455 421 F N 1.535 121.402 119.950 -0.137 0.000 2.102 421 F HA -0.201 4.328 4.527 0.002 0.000 0.298 421 F C 2.232 177.907 175.800 -0.208 0.000 1.105 421 F CA 1.004 58.839 58.000 -0.274 0.000 1.239 421 F CB -0.342 38.379 39.000 -0.465 0.000 0.991 421 F HN -0.223 nan 8.300 nan 0.000 0.474 422 V N 0.763 120.577 119.914 -0.167 0.000 2.332 422 V HA -0.347 3.774 4.120 0.002 0.000 0.248 422 V C 2.393 178.368 176.094 -0.198 0.000 1.055 422 V CA 2.271 64.453 62.300 -0.196 0.000 1.038 422 V CB -0.977 30.812 31.823 -0.057 0.000 0.651 422 V HN 0.427 nan 8.190 nan 0.000 0.450 423 Q N -0.290 119.440 119.800 -0.117 0.000 2.096 423 Q HA -0.238 4.103 4.340 0.002 0.000 0.204 423 Q C 2.472 178.413 176.000 -0.098 0.000 0.982 423 Q CA 1.939 57.702 55.803 -0.067 0.000 0.850 423 Q CB -0.415 28.322 28.738 -0.001 0.000 0.901 423 Q HN 0.695 nan 8.270 nan 0.000 0.422 424 A N 0.732 123.476 122.820 -0.126 0.000 1.902 424 A HA -0.188 4.133 4.320 0.002 0.000 0.217 424 A C 2.063 179.488 177.584 -0.264 0.000 1.181 424 A CA 1.312 53.265 52.037 -0.140 0.000 0.623 424 A CB -0.391 18.571 19.000 -0.064 0.000 0.818 424 A HN 0.245 nan 8.150 nan 0.000 0.443 425 M N -0.744 118.588 119.600 -0.446 0.000 2.117 425 M HA -0.149 4.332 4.480 0.002 0.000 0.262 425 M C 2.111 178.260 176.300 -0.252 0.000 1.065 425 M CA 1.957 56.994 55.300 -0.439 0.000 1.114 425 M CB -1.231 31.017 32.600 -0.586 0.000 1.361 425 M HN 0.718 nan 8.290 nan 0.000 0.408 426 E N 0.413 120.497 120.200 -0.193 0.000 2.051 426 E HA -0.220 4.131 4.350 0.002 0.000 0.192 426 E C 1.407 177.956 176.600 -0.085 0.000 0.991 426 E CA 1.514 57.848 56.400 -0.110 0.000 0.799 426 E CB 0.152 29.813 29.700 -0.066 0.000 0.748 426 E HN 0.363 nan 8.360 nan 0.000 0.449 427 D N 0.141 120.491 120.400 -0.084 0.000 2.144 427 D HA -0.111 4.530 4.640 0.002 0.000 0.200 427 D C 1.774 178.033 176.300 -0.067 0.000 0.978 427 D CA 1.328 55.292 54.000 -0.061 0.000 0.833 427 D CB -0.272 40.499 40.800 -0.048 0.000 0.961 427 D HN 0.308 nan 8.370 nan 0.000 0.470 428 A N 0.641 123.405 122.820 -0.094 0.000 1.968 428 A HA -0.099 4.222 4.320 0.002 0.000 0.217 428 A C 2.261 179.797 177.584 -0.080 0.000 1.169 428 A CA 1.945 53.929 52.037 -0.089 0.000 0.638 428 A CB -0.274 18.656 19.000 -0.117 0.000 0.812 428 A HN 0.308 nan 8.150 nan 0.000 0.446 429 S N -1.548 114.097 115.700 -0.091 0.000 2.492 429 S HA 0.050 4.521 4.470 0.002 0.000 0.218 429 S C 0.652 175.221 174.600 -0.052 0.000 1.016 429 S CA 0.657 58.811 58.200 -0.075 0.000 0.916 429 S CB -0.562 62.582 63.200 -0.094 0.000 0.791 429 S HN 0.640 nan 8.310 nan 0.000 0.513 430 N N -0.152 118.519 118.700 -0.047 0.000 2.741 430 N HA -0.123 4.618 4.740 0.002 0.000 0.251 430 N C -0.971 174.528 175.510 -0.018 0.000 1.112 430 N CA 0.544 53.577 53.050 -0.028 0.000 0.750 430 N CB -1.674 36.800 38.487 -0.021 0.000 1.119 430 N HN 0.340 nan 8.380 nan 0.000 0.561 431 V N 0.891 120.788 119.914 -0.029 0.000 2.432 431 V HA 0.157 4.278 4.120 0.002 0.000 0.275 431 V C 0.430 176.528 176.094 0.008 0.000 1.043 431 V CA -0.477 61.817 62.300 -0.010 0.000 0.925 431 V CB 1.489 33.289 31.823 -0.037 0.000 0.985 431 V HN 0.121 nan 8.190 nan 0.000 0.466 432 D N 4.605 125.036 120.400 0.051 0.000 2.358 432 D HA 0.163 4.804 4.640 0.002 0.000 0.258 432 D C 0.365 176.750 176.300 0.142 0.000 1.223 432 D CA 0.250 54.299 54.000 0.082 0.000 0.886 432 D CB 0.820 41.674 40.800 0.089 0.000 1.120 432 D HN 0.466 nan 8.370 nan 0.000 0.482 433 L N 3.051 124.352 121.223 0.131 0.000 3.066 433 L HA 0.134 4.475 4.340 0.002 0.000 0.265 433 L C 1.847 178.893 176.870 0.293 0.000 1.232 433 L CA -0.270 54.701 54.840 0.218 0.000 1.031 433 L CB 0.161 42.276 42.059 0.094 0.000 1.379 433 L HN 0.275 nan 8.230 nan 0.000 0.563 434 S N -0.526 115.313 115.700 0.230 0.000 2.353 434 S HA -0.250 4.221 4.470 0.002 0.000 0.222 434 S C 1.869 176.642 174.600 0.288 0.000 1.035 434 S CA 1.576 59.898 58.200 0.204 0.000 1.025 434 S CB -0.278 63.003 63.200 0.134 0.000 0.902 434 S HN 0.590 nan 8.310 nan 0.000 0.440 435 H N -0.668 118.524 119.070 0.204 0.000 2.389 435 H HA -0.088 4.469 4.556 0.002 0.000 0.299 435 H C 2.088 177.584 175.328 0.280 0.000 1.081 435 H CA 1.233 57.395 56.048 0.191 0.000 1.345 435 H CB -0.185 29.668 29.762 0.151 0.000 1.393 435 H HN 0.398 nan 8.280 nan 0.000 0.520 436 F N 1.894 122.039 119.950 0.324 0.000 2.192 436 F HA -0.197 4.332 4.527 0.002 0.000 0.301 436 F C 2.435 178.464 175.800 0.382 0.000 1.079 436 F CA 1.342 59.534 58.000 0.320 0.000 1.303 436 F CB -0.193 38.957 39.000 0.250 0.000 1.024 436 F HN 0.030 nan 8.300 nan 0.000 0.494 437 R N -0.228 120.511 120.500 0.398 0.000 2.211 437 R HA -0.212 4.129 4.340 0.002 0.000 0.240 437 R C 2.315 178.773 176.300 0.263 0.000 1.144 437 R CA 1.313 57.617 56.100 0.339 0.000 0.992 437 R CB -0.441 29.986 30.300 0.212 0.000 0.869 437 R HN 0.295 nan 8.270 nan 0.000 0.462 438 R N -0.024 120.553 120.500 0.129 0.000 2.200 438 R HA -0.176 4.165 4.340 0.002 0.000 0.234 438 R C 1.263 177.534 176.300 -0.049 0.000 1.127 438 R CA 1.365 57.480 56.100 0.026 0.000 0.989 438 R CB -0.173 30.112 30.300 -0.024 0.000 0.869 438 R HN 0.314 nan 8.270 nan 0.000 0.459 439 W N -0.664 120.532 121.300 -0.173 0.000 2.387 439 W HA -0.177 4.484 4.660 0.001 0.000 0.272 439 W C 1.314 177.709 176.519 -0.207 0.000 1.224 439 W CA 0.666 57.839 57.345 -0.288 0.000 1.210 439 W CB -0.137 28.946 29.460 -0.628 0.000 1.125 439 W HN 0.171 nan 8.180 nan 0.000 0.572 440 Y N -1.359 119.021 120.300 0.134 0.000 2.420 440 Y HA -0.106 4.445 4.550 0.002 0.000 0.292 440 Y C 2.381 178.344 175.900 0.105 0.000 1.119 440 Y CA 1.316 59.491 58.100 0.125 0.000 1.229 440 Y CB -0.328 38.205 38.460 0.120 0.000 1.026 440 Y HN -0.219 nan 8.280 nan 0.000 0.554 441 S N -1.218 114.609 115.700 0.210 0.000 2.492 441 S HA 0.004 4.475 4.470 0.002 0.000 0.218 441 S C 0.596 175.251 174.600 0.092 0.000 1.016 441 S CA -0.163 58.121 58.200 0.141 0.000 0.916 441 S CB 0.185 63.450 63.200 0.109 0.000 0.791 441 S HN 0.298 nan 8.310 nan 0.000 0.513 442 Q N 2.234 122.064 119.800 0.049 0.000 2.307 442 Q HA 0.435 4.776 4.340 0.002 0.000 0.262 442 Q C -0.413 175.600 176.000 0.021 0.000 0.961 442 Q CA -0.529 55.278 55.803 0.006 0.000 0.882 442 Q CB 1.060 29.750 28.738 -0.080 0.000 1.264 442 Q HN 0.374 nan 8.270 nan 0.000 0.446 443 S N 2.361 118.082 115.700 0.035 0.000 2.707 443 S HA 0.920 5.391 4.470 0.002 0.000 0.276 443 S C 0.311 174.915 174.600 0.007 0.000 1.179 443 S CA 0.019 58.241 58.200 0.036 0.000 0.992 443 S CB 1.294 64.532 63.200 0.065 0.000 1.030 443 S HN 1.168 nan 8.310 nan 0.000 0.554 444 G N -0.123 108.679 108.800 0.003 0.000 2.730 444 G HA2 0.016 3.977 3.960 0.002 0.000 0.686 444 G HA3 0.016 3.977 3.960 0.002 0.000 0.686 444 G C -0.557 174.315 174.900 -0.048 0.000 1.343 444 G CA -0.525 44.562 45.100 -0.022 0.000 0.826 444 G HN 1.107 nan 8.290 nan 0.000 0.582 445 T N 3.605 118.088 114.554 -0.120 0.000 2.744 445 T HA 0.593 4.944 4.350 0.002 0.000 0.291 445 T C -2.176 172.434 174.700 -0.149 0.000 0.957 445 T CA -0.688 61.281 62.100 -0.218 0.000 1.002 445 T CB 1.710 70.220 68.868 -0.597 0.000 0.919 445 T HN 0.507 nan 8.240 nan 0.000 0.468 446 P HA 0.276 nan 4.420 nan 0.000 0.271 446 P C -0.587 176.699 177.300 -0.023 0.000 1.218 446 P CA -0.327 62.742 63.100 -0.051 0.000 0.780 446 P CB 0.448 32.132 31.700 -0.028 0.000 0.901 447 I N 2.192 122.757 120.570 -0.008 0.000 2.339 447 I HA 0.249 4.420 4.170 0.002 0.000 0.290 447 I C -0.382 175.764 176.117 0.050 0.000 0.994 447 I CA -0.841 60.476 61.300 0.029 0.000 1.191 447 I CB 1.543 39.551 38.000 0.014 0.000 1.343 447 I HN -0.050 nan 8.210 nan 0.000 0.458 448 V N 5.404 125.378 119.914 0.099 0.000 2.347 448 V HA 0.343 4.464 4.120 0.002 0.000 0.280 448 V C 0.136 176.278 176.094 0.081 0.000 1.021 448 V CA -0.355 61.994 62.300 0.081 0.000 0.847 448 V CB 1.595 33.502 31.823 0.140 0.000 0.990 448 V HN 0.710 nan 8.190 nan 0.000 0.444 449 T N 4.861 119.432 114.554 0.028 0.000 2.794 449 T HA 0.613 4.964 4.350 0.002 0.000 0.280 449 T C -0.331 174.377 174.700 0.014 0.000 0.987 449 T CA -0.356 61.765 62.100 0.035 0.000 0.993 449 T CB 1.576 70.452 68.868 0.014 0.000 0.939 449 T HN 0.344 nan 8.240 nan 0.000 0.449 450 V N 4.224 124.181 119.914 0.072 0.000 2.540 450 V HA 0.520 4.641 4.120 0.002 0.000 0.302 450 V C -0.192 175.982 176.094 0.134 0.000 1.035 450 V CA -0.912 61.446 62.300 0.096 0.000 0.873 450 V CB 1.843 33.757 31.823 0.152 0.000 0.992 450 V HN 0.743 nan 8.190 nan 0.000 0.428 451 K N 3.134 123.574 120.400 0.068 0.000 2.318 451 K HA 0.721 5.042 4.320 0.002 0.000 0.249 451 K C -1.383 175.243 176.600 0.044 0.000 0.942 451 K CA -0.838 55.465 56.287 0.027 0.000 0.808 451 K CB 2.174 34.659 32.500 -0.025 0.000 1.189 451 K HN 0.896 nan 8.250 nan 0.000 0.428 452 D N 0.125 120.553 120.400 0.047 0.000 2.523 452 D HA 0.424 5.065 4.640 0.002 0.000 0.236 452 D C -1.387 174.904 176.300 -0.015 0.000 1.094 452 D CA -0.621 53.364 54.000 -0.024 0.000 0.942 452 D CB 1.889 42.730 40.800 0.068 0.000 1.447 452 D HN 0.424 nan 8.370 nan 0.000 0.479 453 D N -1.078 119.275 120.400 -0.079 0.000 2.947 453 D HA 0.354 4.995 4.640 0.002 0.000 0.224 453 D C -2.035 174.373 176.300 0.179 0.000 1.230 453 D CA -0.584 53.442 54.000 0.043 0.000 0.871 453 D CB 1.375 42.169 40.800 -0.010 0.000 1.671 453 D HN 0.338 nan 8.370 nan 0.000 0.507 454 Y N 3.486 123.866 120.300 0.133 0.000 2.335 454 Y HA 0.512 5.063 4.550 0.001 0.000 0.338 454 Y C -1.054 174.890 175.900 0.072 0.000 0.977 454 Y CA -0.978 57.227 58.100 0.175 0.000 1.114 454 Y CB 1.218 39.775 38.460 0.162 0.000 1.182 454 Y HN 0.351 nan 8.280 nan 0.000 0.463 455 N N 8.552 126.929 118.700 -0.537 0.000 2.501 455 N HA 0.293 5.034 4.740 0.002 0.000 0.245 455 N C -2.237 172.851 175.510 -0.702 0.000 0.974 455 N CA -2.453 50.329 53.050 -0.447 0.000 0.941 455 N CB 1.788 40.141 38.487 -0.223 0.000 1.122 455 N HN 0.413 nan 8.380 nan 0.000 0.507 456 P HA -0.057 nan 4.420 nan 0.000 0.221 456 P C 0.498 177.697 177.300 -0.168 0.000 1.150 456 P CA 1.049 63.948 63.100 -0.335 0.000 0.800 456 P CB 0.673 32.314 31.700 -0.098 0.000 0.787 457 E N -0.017 120.100 120.200 -0.138 0.000 2.077 457 E HA -0.108 4.243 4.350 0.002 0.000 0.193 457 E C 1.705 178.265 176.600 -0.067 0.000 0.989 457 E CA 1.972 58.326 56.400 -0.076 0.000 0.800 457 E CB -0.505 29.157 29.700 -0.062 0.000 0.746 457 E HN 0.394 nan 8.360 nan 0.000 0.452 458 T N -2.637 111.858 114.554 -0.099 0.000 3.023 458 T HA 0.136 4.487 4.350 0.002 0.000 0.253 458 T C 0.220 174.893 174.700 -0.044 0.000 1.038 458 T CA -0.173 61.892 62.100 -0.058 0.000 0.962 458 T CB 0.136 68.972 68.868 -0.053 0.000 1.018 458 T HN 0.080 nan 8.240 nan 0.000 0.521 459 E N 1.177 121.313 120.200 -0.108 0.000 2.297 459 E HA -0.179 4.172 4.350 0.002 0.000 0.228 459 E C -0.642 175.985 176.600 0.046 0.000 1.213 459 E CA 0.254 56.634 56.400 -0.034 0.000 0.712 459 E CB -1.380 28.385 29.700 0.109 0.000 1.202 459 E HN 0.726 nan 8.360 nan 0.000 0.376 460 Q N 0.138 119.909 119.800 -0.048 0.000 2.342 460 Q HA 0.526 4.867 4.340 0.002 0.000 0.267 460 Q C -1.050 175.075 176.000 0.210 0.000 1.038 460 Q CA -0.787 55.077 55.803 0.101 0.000 0.832 460 Q CB 1.799 30.562 28.738 0.042 0.000 1.323 460 Q HN 0.253 nan 8.270 nan 0.000 0.448 461 Y N 0.988 121.432 120.300 0.241 0.000 2.341 461 Y HA 0.397 4.948 4.550 0.001 0.000 0.338 461 Y C -1.008 175.081 175.900 0.315 0.000 0.965 461 Y CA -0.403 57.887 58.100 0.316 0.000 1.108 461 Y CB 1.643 40.308 38.460 0.341 0.000 1.180 461 Y HN 0.464 nan 8.280 nan 0.000 0.458 462 T N 7.649 122.077 114.554 -0.210 0.000 2.786 462 T HA 0.499 4.850 4.350 0.002 0.000 0.283 462 T C -0.709 173.809 174.700 -0.303 0.000 0.992 462 T CA -0.582 61.420 62.100 -0.163 0.000 0.954 462 T CB 0.583 69.398 68.868 -0.090 0.000 0.934 462 T HN 0.507 nan 8.240 nan 0.000 0.440 463 L N 3.313 124.491 121.223 -0.076 0.000 2.272 463 L HA 0.449 4.790 4.340 0.002 0.000 0.289 463 L C 0.218 177.141 176.870 0.088 0.000 1.032 463 L CA -0.654 54.191 54.840 0.008 0.000 0.810 463 L CB 1.350 43.518 42.059 0.182 0.000 1.205 463 L HN 0.596 nan 8.230 nan 0.000 0.422 464 T N 4.963 119.532 114.554 0.026 0.000 2.770 464 T HA 0.566 4.917 4.350 0.002 0.000 0.297 464 T C -0.067 174.645 174.700 0.019 0.000 0.997 464 T CA -0.184 61.925 62.100 0.016 0.000 0.949 464 T CB 0.585 69.439 68.868 -0.023 0.000 0.941 464 T HN 0.271 nan 8.240 nan 0.000 0.457 465 I N 2.597 123.190 120.570 0.038 0.000 2.406 465 I HA 0.428 4.599 4.170 0.002 0.000 0.290 465 I C 0.117 176.220 176.117 -0.023 0.000 0.999 465 I CA -0.639 60.645 61.300 -0.027 0.000 1.124 465 I CB 1.877 39.823 38.000 -0.090 0.000 1.289 465 I HN 0.498 nan 8.210 nan 0.000 0.441 466 S N 5.274 120.950 115.700 -0.040 0.000 2.568 466 S HA 0.639 5.110 4.470 0.002 0.000 0.302 466 S C -0.850 173.736 174.600 -0.023 0.000 1.082 466 S CA -0.812 57.373 58.200 -0.026 0.000 1.009 466 S CB 2.105 65.292 63.200 -0.022 0.000 1.069 466 S HN 0.667 nan 8.310 nan 0.000 0.500 467 Q N 0.895 120.686 119.800 -0.015 0.000 2.421 467 Q HA 0.785 5.126 4.340 0.002 0.000 0.280 467 Q C -1.212 174.776 176.000 -0.020 0.000 1.085 467 Q CA -1.222 54.574 55.803 -0.011 0.000 0.807 467 Q CB 2.099 30.834 28.738 -0.006 0.000 1.405 467 Q HN 0.755 nan 8.270 nan 0.000 0.419 468 R N -0.112 120.374 120.500 -0.024 0.000 2.680 468 R HA 0.638 4.979 4.340 0.002 0.000 0.269 468 R C -1.569 174.704 176.300 -0.045 0.000 1.026 468 R CA -0.752 55.328 56.100 -0.034 0.000 0.889 468 R CB 1.983 32.268 30.300 -0.024 0.000 1.241 468 R HN 0.596 nan 8.270 nan 0.000 0.463 469 T N 3.186 117.706 114.554 -0.056 0.000 2.809 469 T HA 0.414 4.765 4.350 0.002 0.000 0.284 469 T C -2.619 172.056 174.700 -0.042 0.000 0.992 469 T CA -1.471 60.592 62.100 -0.062 0.000 0.957 469 T CB 1.798 70.613 68.868 -0.088 0.000 0.942 469 T HN 0.400 nan 8.240 nan 0.000 0.439 470 P HA 0.294 nan 4.420 nan 0.000 0.269 470 P C -0.395 176.896 177.300 -0.014 0.000 1.209 470 P CA -0.443 62.645 63.100 -0.020 0.000 0.776 470 P CB 0.346 32.037 31.700 -0.016 0.000 0.876 471 A N 2.462 125.279 122.820 -0.005 0.000 2.555 471 A HA 0.399 4.720 4.320 0.002 0.000 0.233 471 A C 0.645 178.237 177.584 0.013 0.000 1.060 471 A CA 0.607 52.647 52.037 0.005 0.000 0.759 471 A CB -0.700 18.306 19.000 0.009 0.000 0.995 471 A HN 0.640 nan 8.150 nan 0.000 0.506 472 T N -0.626 113.942 114.554 0.023 0.000 2.930 472 T HA 0.631 4.982 4.350 0.002 0.000 0.290 472 T C -2.257 172.472 174.700 0.049 0.000 1.052 472 T CA -1.655 60.466 62.100 0.036 0.000 1.017 472 T CB 1.503 70.396 68.868 0.043 0.000 1.137 472 T HN 0.265 nan 8.240 nan 0.000 0.511 473 P HA -0.082 nan 4.420 nan 0.000 0.219 473 P C 1.125 178.471 177.300 0.077 0.000 1.146 473 P CA 1.059 64.197 63.100 0.063 0.000 0.808 473 P CB 0.022 31.761 31.700 0.066 0.000 0.779 474 D N -1.735 118.721 120.400 0.093 0.000 2.333 474 D HA -0.052 4.589 4.640 0.002 0.000 0.208 474 D C 0.464 176.822 176.300 0.098 0.000 0.984 474 D CA 0.609 54.676 54.000 0.113 0.000 0.873 474 D CB -0.042 40.849 40.800 0.151 0.000 0.935 474 D HN 0.232 nan 8.370 nan 0.000 0.521 475 Q N -0.357 119.488 119.800 0.074 0.000 2.295 475 Q HA 0.555 4.896 4.340 0.002 0.000 0.259 475 Q C -0.400 175.623 176.000 0.039 0.000 0.966 475 Q CA -0.442 55.396 55.803 0.058 0.000 0.763 475 Q CB 2.350 31.120 28.738 0.054 0.000 1.283 475 Q HN 0.079 nan 8.270 nan 0.000 0.445 476 A N 2.292 125.133 122.820 0.034 0.000 2.123 476 A HA -0.018 4.303 4.320 0.002 0.000 0.214 476 A C 0.597 178.189 177.584 0.013 0.000 1.152 476 A CA 0.820 52.871 52.037 0.023 0.000 0.728 476 A CB 0.325 19.339 19.000 0.022 0.000 0.814 476 A HN 0.587 nan 8.150 nan 0.000 0.464 477 E N 0.970 121.177 120.200 0.012 0.000 2.166 477 E HA 0.389 4.740 4.350 0.002 0.000 0.275 477 E C -1.145 175.453 176.600 -0.005 0.000 0.941 477 E CA -0.554 55.847 56.400 0.002 0.000 0.784 477 E CB 0.634 30.336 29.700 0.002 0.000 1.115 477 E HN 0.053 nan 8.360 nan 0.000 0.399 478 K N 3.074 123.464 120.400 -0.016 0.000 2.426 478 K HA 0.426 4.747 4.320 0.002 0.000 0.251 478 K C -0.626 175.951 176.600 -0.039 0.000 0.941 478 K CA -0.743 55.525 56.287 -0.032 0.000 0.808 478 K CB 2.268 34.745 32.500 -0.038 0.000 1.265 478 K HN 0.572 nan 8.250 nan 0.000 0.432 479 Q N 0.942 120.711 119.800 -0.053 0.000 2.451 479 Q HA 0.465 4.806 4.340 0.002 0.000 0.281 479 Q C -2.519 173.447 176.000 -0.057 0.000 1.099 479 Q CA -2.186 53.590 55.803 -0.046 0.000 0.806 479 Q CB 2.158 30.875 28.738 -0.034 0.000 1.419 479 Q HN 0.213 nan 8.270 nan 0.000 0.427 480 P HA 0.029 nan 4.420 nan 0.000 0.266 480 P C -0.927 176.404 177.300 0.053 0.000 1.195 480 P CA 0.387 63.489 63.100 0.002 0.000 0.768 480 P CB 0.468 32.198 31.700 0.050 0.000 0.838 481 L N 1.564 122.686 121.223 -0.167 0.000 2.365 481 L HA 0.389 4.730 4.340 0.002 0.000 0.267 481 L C 0.902 177.518 176.870 -0.424 0.000 1.033 481 L CA -0.866 53.681 54.840 -0.488 0.000 0.802 481 L CB 0.770 42.191 42.059 -1.063 0.000 1.267 481 L HN 0.459 nan 8.230 nan 0.000 0.457 482 H N 1.831 120.469 119.070 -0.721 0.000 2.911 482 H HA 0.391 4.947 4.556 0.001 0.000 0.273 482 H C -0.837 174.664 175.328 0.289 0.000 1.157 482 H CA -0.566 55.340 56.048 -0.236 0.000 1.402 482 H CB 0.340 30.030 29.762 -0.119 0.000 1.463 482 H HN 0.340 nan 8.280 nan 0.000 0.475 483 I N 8.306 129.180 120.570 0.507 0.000 2.307 483 I HA 0.210 4.381 4.170 0.002 0.000 0.289 483 I C -2.306 174.071 176.117 0.433 0.000 1.021 483 I CA -2.326 59.275 61.300 0.502 0.000 1.224 483 I CB 1.570 39.803 38.000 0.388 0.000 1.376 483 I HN 0.525 nan 8.210 nan 0.000 0.470 484 P HA 0.105 nan 4.420 nan 0.000 0.276 484 P C -0.850 176.576 177.300 0.210 0.000 1.264 484 P CA 0.034 63.262 63.100 0.214 0.000 0.769 484 P CB 0.116 31.862 31.700 0.076 0.000 0.840 485 F N 3.964 123.948 119.950 0.058 0.000 2.359 485 F HA 0.593 5.121 4.527 0.001 0.000 0.369 485 F C -0.153 175.645 175.800 -0.003 0.000 1.084 485 F CA -0.862 57.153 58.000 0.024 0.000 1.096 485 F CB 0.566 39.570 39.000 0.006 0.000 1.335 485 F HN 0.269 nan 8.300 nan 0.000 0.457 486 A N 7.291 129.960 122.820 -0.251 0.000 2.366 486 A HA 0.665 4.986 4.320 0.002 0.000 0.272 486 A C -0.367 177.097 177.584 -0.200 0.000 1.135 486 A CA -0.372 51.576 52.037 -0.148 0.000 0.804 486 A CB 0.061 18.998 19.000 -0.104 0.000 1.064 486 A HN 0.849 nan 8.150 nan 0.000 0.499 487 I N -1.255 119.268 120.570 -0.078 0.000 3.042 487 I HA 0.916 5.087 4.170 0.002 0.000 0.310 487 I C -0.691 175.386 176.117 -0.067 0.000 1.117 487 I CA -0.863 60.405 61.300 -0.054 0.000 1.003 487 I CB 2.361 40.362 38.000 0.000 0.000 1.228 487 I HN 0.647 nan 8.210 nan 0.000 0.443 488 E N 3.373 123.537 120.200 -0.060 0.000 2.304 488 E HA 0.570 4.921 4.350 0.002 0.000 0.277 488 E C -2.045 174.415 176.600 -0.232 0.000 0.898 488 E CA -0.665 55.633 56.400 -0.170 0.000 0.764 488 E CB 2.283 31.902 29.700 -0.134 0.000 1.216 488 E HN 0.714 nan 8.360 nan 0.000 0.419 489 L N 4.388 125.376 121.223 -0.392 0.000 2.296 489 L HA 0.504 4.845 4.340 0.002 0.000 0.286 489 L C -1.061 175.530 176.870 -0.465 0.000 1.023 489 L CA -0.895 53.728 54.840 -0.362 0.000 0.812 489 L CB 0.851 42.663 42.059 -0.412 0.000 1.223 489 L HN 0.578 nan 8.230 nan 0.000 0.421 490 Y N 0.833 121.072 120.300 -0.103 0.000 2.352 490 Y HA 0.243 4.794 4.550 0.002 0.000 0.339 490 Y C 0.366 176.203 175.900 -0.105 0.000 0.992 490 Y CA -1.055 57.036 58.100 -0.014 0.000 1.100 490 Y CB 1.433 40.030 38.460 0.228 0.000 1.192 490 Y HN 0.626 nan 8.280 nan 0.000 0.458 491 D N 0.454 120.875 120.400 0.035 0.000 2.440 491 D HA -0.037 4.604 4.640 0.002 0.000 0.269 491 D C 0.845 177.080 176.300 -0.108 0.000 1.249 491 D CA -0.402 53.544 54.000 -0.090 0.000 1.055 491 D CB 0.399 41.160 40.800 -0.065 0.000 1.104 491 D HN 0.556 nan 8.370 nan 0.000 0.561 492 N N -0.171 118.249 118.700 -0.466 0.000 2.453 492 N HA -0.178 4.564 4.740 0.002 0.000 0.183 492 N C 0.586 176.006 175.510 -0.149 0.000 1.041 492 N CA 0.787 53.592 53.050 -0.409 0.000 0.900 492 N CB -0.275 37.672 38.487 -0.898 0.000 0.961 492 N HN 0.516 nan 8.380 nan 0.000 0.443 493 E N -0.162 119.944 120.200 -0.157 0.000 2.489 493 E HA 0.098 4.449 4.350 0.002 0.000 0.193 493 E C 0.764 177.221 176.600 -0.238 0.000 1.057 493 E CA 0.471 56.788 56.400 -0.140 0.000 0.866 493 E CB -0.028 29.622 29.700 -0.084 0.000 0.916 493 E HN 0.569 nan 8.360 nan 0.000 0.500 494 G N 2.209 110.908 108.800 -0.169 0.000 2.136 494 G HA2 -0.297 3.664 3.960 0.002 0.000 0.242 494 G HA3 -0.297 3.664 3.960 0.002 0.000 0.242 494 G C 0.050 175.042 174.900 0.153 0.000 0.989 494 G CA 0.322 45.278 45.100 -0.241 0.000 0.682 494 G HN 0.205 nan 8.290 nan 0.000 0.522 495 K N -0.041 120.444 120.400 0.142 0.000 2.118 495 K HA 0.581 4.902 4.320 0.002 0.000 0.267 495 K C 0.560 177.208 176.600 0.080 0.000 0.991 495 K CA -0.848 55.516 56.287 0.129 0.000 0.916 495 K CB 2.211 34.761 32.500 0.084 0.000 1.041 495 K HN 0.017 nan 8.250 nan 0.000 0.455 496 V N 4.290 124.185 119.914 -0.032 0.000 2.521 496 V HA 0.074 4.195 4.120 0.002 0.000 0.286 496 V C 0.351 176.379 176.094 -0.111 0.000 1.034 496 V CA -0.185 61.970 62.300 -0.242 0.000 1.045 496 V CB 0.203 31.881 31.823 -0.242 0.000 0.974 496 V HN 0.570 nan 8.190 nan 0.000 0.480 497 I N 7.753 128.213 120.570 -0.183 0.000 2.352 497 I HA 0.256 4.427 4.170 0.002 0.000 0.290 497 I C -1.995 174.076 176.117 -0.076 0.000 1.036 497 I CA -1.714 59.521 61.300 -0.107 0.000 1.336 497 I CB 1.108 38.928 38.000 -0.300 0.000 1.407 497 I HN 0.453 nan 8.210 nan 0.000 0.497 498 P HA 0.079 nan 4.420 nan 0.000 0.264 498 P C -0.732 176.588 177.300 0.033 0.000 1.193 498 P CA 0.030 63.148 63.100 0.030 0.000 0.763 498 P CB 0.347 32.093 31.700 0.077 0.000 0.810 499 L N 4.560 125.797 121.223 0.024 0.000 2.281 499 L HA 0.359 4.700 4.340 0.002 0.000 0.285 499 L C 0.862 177.857 176.870 0.208 0.000 1.074 499 L CA 0.102 54.995 54.840 0.089 0.000 0.817 499 L CB 0.162 42.240 42.059 0.031 0.000 1.168 499 L HN 0.513 nan 8.230 nan 0.000 0.434 500 Q N 3.241 123.221 119.800 0.300 0.000 2.575 500 Q HA 0.648 4.989 4.340 0.002 0.000 0.290 500 Q C -1.552 174.599 176.000 0.252 0.000 0.963 500 Q CA -1.251 54.698 55.803 0.244 0.000 0.783 500 Q CB 2.822 31.658 28.738 0.163 0.000 1.467 500 Q HN 0.383 nan 8.270 nan 0.000 0.402 501 K N -0.295 120.214 120.400 0.181 0.000 2.550 501 K HA 0.469 4.790 4.320 0.002 0.000 0.252 501 K C -0.104 176.573 176.600 0.128 0.000 0.943 501 K CA 0.073 56.435 56.287 0.125 0.000 0.806 501 K CB 1.607 34.144 32.500 0.062 0.000 1.289 501 K HN 1.085 nan 8.250 nan 0.000 0.435 502 G N 2.174 111.027 108.800 0.088 0.000 2.258 502 G HA2 -0.240 3.721 3.960 0.002 0.000 0.274 502 G HA3 -0.240 3.721 3.960 0.002 0.000 0.274 502 G C 0.752 175.646 174.900 -0.009 0.000 1.021 502 G CA 0.877 46.024 45.100 0.078 0.000 0.798 502 G HN 1.583 nan 8.290 nan 0.000 0.507 503 G N -2.268 106.497 108.800 -0.058 0.000 2.157 503 G HA2 -0.178 3.783 3.960 0.002 0.000 0.248 503 G HA3 -0.178 3.783 3.960 0.002 0.000 0.248 503 G C 0.021 174.706 174.900 -0.359 0.000 0.979 503 G CA 0.965 45.941 45.100 -0.207 0.000 0.650 503 G HN 1.517 nan 8.290 nan 0.000 0.529 504 H N 0.264 119.369 119.070 0.058 0.000 2.538 504 H HA 0.535 5.091 4.556 0.001 0.000 0.353 504 H C -2.484 172.891 175.328 0.078 0.000 1.109 504 H CA -1.923 54.160 56.048 0.058 0.000 1.192 504 H CB 1.926 31.717 29.762 0.049 0.000 1.555 504 H HN 0.087 nan 8.280 nan 0.000 0.518 505 P HA 0.007 nan 4.420 nan 0.000 0.269 505 P C -0.715 176.687 177.300 0.171 0.000 1.209 505 P CA -0.141 63.053 63.100 0.157 0.000 0.776 505 P CB 0.762 32.532 31.700 0.117 0.000 0.876 506 V N 2.946 122.973 119.914 0.189 0.000 2.555 506 V HA 0.255 4.376 4.120 0.002 0.000 0.302 506 V C 0.429 176.632 176.094 0.183 0.000 1.038 506 V CA -0.883 61.544 62.300 0.212 0.000 0.887 506 V CB 1.629 33.648 31.823 0.326 0.000 0.991 506 V HN 0.570 nan 8.190 nan 0.000 0.434 507 N N 2.248 121.039 118.700 0.151 0.000 2.458 507 N HA -0.036 4.705 4.740 0.002 0.000 0.258 507 N C 1.388 176.973 175.510 0.125 0.000 1.219 507 N CA 0.736 53.854 53.050 0.115 0.000 0.902 507 N CB 1.499 40.044 38.487 0.097 0.000 1.076 507 N HN 0.847 nan 8.380 nan 0.000 0.455 508 S N 1.650 117.394 115.700 0.074 0.000 2.515 508 S HA -0.026 4.445 4.470 0.002 0.000 0.231 508 S C 0.768 175.394 174.600 0.043 0.000 0.987 508 S CA 0.045 58.270 58.200 0.041 0.000 0.936 508 S CB 0.025 63.222 63.200 -0.006 0.000 0.766 508 S HN 0.281 nan 8.310 nan 0.000 0.528 509 V N 3.733 123.681 119.914 0.057 0.000 2.339 509 V HA 0.318 4.439 4.120 0.002 0.000 0.261 509 V C 0.055 176.211 176.094 0.104 0.000 1.058 509 V CA -0.475 61.864 62.300 0.065 0.000 0.897 509 V CB 0.206 32.060 31.823 0.052 0.000 1.052 509 V HN 0.440 nan 8.190 nan 0.000 0.480 510 L N 4.713 125.990 121.223 0.090 0.000 2.380 510 L HA 0.370 4.711 4.340 0.002 0.000 0.273 510 L C 0.628 177.593 176.870 0.158 0.000 1.138 510 L CA -0.209 54.638 54.840 0.012 0.000 0.832 510 L CB 0.358 42.164 42.059 -0.420 0.000 1.124 510 L HN 0.533 nan 8.230 nan 0.000 0.454 511 N N 2.797 121.655 118.700 0.263 0.000 2.521 511 N HA 0.128 4.869 4.740 0.002 0.000 0.236 511 N C -0.693 175.035 175.510 0.364 0.000 1.067 511 N CA -0.124 53.128 53.050 0.337 0.000 0.939 511 N CB 1.505 40.155 38.487 0.271 0.000 1.201 511 N HN 0.254 nan 8.380 nan 0.000 0.511 512 V N 2.582 122.701 119.914 0.343 0.000 2.322 512 V HA 0.093 4.214 4.120 0.002 0.000 0.258 512 V C 1.472 177.697 176.094 0.218 0.000 1.074 512 V CA 0.009 62.487 62.300 0.296 0.000 0.909 512 V CB 0.244 32.174 31.823 0.178 0.000 1.090 512 V HN 0.658 nan 8.190 nan 0.000 0.486 513 T N 0.648 115.299 114.554 0.163 0.000 2.975 513 T HA 0.258 4.609 4.350 0.002 0.000 0.257 513 T C 0.450 175.258 174.700 0.180 0.000 1.003 513 T CA -0.117 62.082 62.100 0.165 0.000 0.932 513 T CB 0.542 69.474 68.868 0.106 0.000 1.087 513 T HN 0.429 nan 8.240 nan 0.000 0.512 514 Q N -0.015 119.837 119.800 0.085 0.000 2.297 514 Q HA 0.828 5.169 4.340 0.002 0.000 0.269 514 Q C 1.226 177.235 176.000 0.016 0.000 1.051 514 Q CA -0.049 55.771 55.803 0.028 0.000 0.869 514 Q CB 1.619 30.344 28.738 -0.020 0.000 1.346 514 Q HN 0.139 nan 8.270 nan 0.000 0.457 515 A N 1.200 124.015 122.820 -0.008 0.000 1.933 515 A HA -0.079 4.242 4.320 0.002 0.000 0.218 515 A C 0.298 177.869 177.584 -0.021 0.000 1.175 515 A CA 1.527 53.554 52.037 -0.016 0.000 0.628 515 A CB -0.068 18.917 19.000 -0.025 0.000 0.814 515 A HN 0.622 nan 8.150 nan 0.000 0.444 516 E N -0.663 119.518 120.200 -0.031 0.000 2.343 516 E HA 0.419 4.770 4.350 0.002 0.000 0.278 516 E C -1.603 174.956 176.600 -0.068 0.000 0.910 516 E CA -0.745 55.631 56.400 -0.040 0.000 0.757 516 E CB 1.068 30.741 29.700 -0.045 0.000 1.218 516 E HN 0.458 nan 8.360 nan 0.000 0.435 517 Q N 1.119 120.869 119.800 -0.084 0.000 2.522 517 Q HA 0.399 4.740 4.340 0.002 0.000 0.285 517 Q C -1.352 174.507 176.000 -0.235 0.000 0.982 517 Q CA -0.926 54.757 55.803 -0.199 0.000 0.805 517 Q CB 1.664 30.231 28.738 -0.286 0.000 1.457 517 Q HN 0.540 nan 8.270 nan 0.000 0.394 518 T N -1.154 113.180 114.554 -0.367 0.000 2.888 518 T HA 0.808 5.159 4.350 0.002 0.000 0.284 518 T C -0.673 173.673 174.700 -0.589 0.000 1.017 518 T CA -0.478 61.446 62.100 -0.294 0.000 1.022 518 T CB 0.689 69.446 68.868 -0.185 0.000 1.013 518 T HN 0.394 nan 8.240 nan 0.000 0.465 519 F N 0.718 120.590 119.950 -0.131 0.000 2.518 519 F HA 0.609 5.137 4.527 0.001 0.000 0.323 519 F C -0.455 175.112 175.800 -0.390 0.000 1.129 519 F CA -1.127 56.716 58.000 -0.262 0.000 0.920 519 F CB 2.283 41.184 39.000 -0.165 0.000 1.160 519 F HN 0.383 nan 8.300 nan 0.000 0.440 520 V N 3.876 123.563 119.914 -0.378 0.000 2.495 520 V HA 0.490 4.611 4.120 0.002 0.000 0.298 520 V C -0.809 174.988 176.094 -0.496 0.000 1.031 520 V CA -0.943 61.184 62.300 -0.288 0.000 0.871 520 V CB 1.663 33.404 31.823 -0.137 0.000 0.988 520 V HN 0.489 nan 8.190 nan 0.000 0.432 521 F N 2.931 122.979 119.950 0.162 0.000 2.520 521 F HA 0.624 5.152 4.527 0.001 0.000 0.322 521 F C 0.100 175.992 175.800 0.153 0.000 1.103 521 F CA -0.895 57.209 58.000 0.173 0.000 0.926 521 F CB 1.754 40.887 39.000 0.220 0.000 1.154 521 F HN 0.658 nan 8.300 nan 0.000 0.453 522 D N -0.119 120.444 120.400 0.272 0.000 2.506 522 D HA 0.272 4.913 4.640 0.002 0.000 0.254 522 D C -0.106 176.314 176.300 0.201 0.000 1.089 522 D CA -0.847 53.271 54.000 0.196 0.000 1.050 522 D CB 0.470 41.342 40.800 0.120 0.000 1.221 522 D HN 0.532 nan 8.370 nan 0.000 0.589 523 N N -1.485 117.318 118.700 0.171 0.000 2.721 523 N HA -0.127 4.614 4.740 0.002 0.000 0.249 523 N C -0.853 174.794 175.510 0.227 0.000 1.072 523 N CA 0.447 53.614 53.050 0.194 0.000 0.710 523 N CB -1.009 37.581 38.487 0.172 0.000 0.993 523 N HN 0.287 nan 8.380 nan 0.000 0.547 524 V N 2.532 122.574 119.914 0.214 0.000 2.322 524 V HA 0.042 4.163 4.120 0.002 0.000 0.258 524 V C 1.139 177.342 176.094 0.183 0.000 1.074 524 V CA -0.384 61.992 62.300 0.127 0.000 0.909 524 V CB -0.454 31.510 31.823 0.236 0.000 1.090 524 V HN 0.317 nan 8.190 nan 0.000 0.486 525 Y N 2.758 123.176 120.300 0.196 0.000 2.583 525 Y HA 0.439 4.990 4.550 0.002 0.000 0.293 525 Y C 0.165 176.222 175.900 0.261 0.000 1.157 525 Y CA -0.647 57.577 58.100 0.207 0.000 1.315 525 Y CB -0.233 38.316 38.460 0.149 0.000 1.021 525 Y HN 0.381 nan 8.280 nan 0.000 0.536 526 F N 1.152 120.958 119.950 -0.239 0.000 2.619 526 F HA 0.315 4.843 4.527 0.001 0.000 0.308 526 F C -0.548 174.808 175.800 -0.739 0.000 1.097 526 F CA -1.809 56.020 58.000 -0.285 0.000 0.953 526 F CB 1.542 40.434 39.000 -0.180 0.000 1.287 526 F HN -0.181 nan 8.300 nan 0.000 0.446 527 Q N 6.507 125.547 119.800 -1.266 0.000 2.264 527 Q HA 0.148 4.489 4.340 0.002 0.000 0.296 527 Q C -2.340 173.341 176.000 -0.530 0.000 1.103 527 Q CA -1.273 53.774 55.803 -1.261 0.000 0.967 527 Q CB 0.502 28.735 28.738 -0.842 0.000 1.090 527 Q HN 0.169 nan 8.270 nan 0.000 0.379 528 P HA 0.083 nan 4.420 nan 0.000 0.277 528 P C -1.056 176.068 177.300 -0.293 0.000 1.240 528 P CA -0.350 62.488 63.100 -0.437 0.000 0.798 528 P CB 0.994 32.282 31.700 -0.686 0.000 0.979 529 V N 4.192 123.982 119.914 -0.207 0.000 2.364 529 V HA 0.282 4.403 4.120 0.002 0.000 0.272 529 V C -1.878 174.274 176.094 0.096 0.000 1.036 529 V CA -1.700 60.546 62.300 -0.091 0.000 0.880 529 V CB 0.934 32.555 31.823 -0.337 0.000 0.991 529 V HN 0.588 nan 8.190 nan 0.000 0.460 530 P HA 0.442 nan 4.420 nan 0.000 0.288 530 P C -0.896 176.604 177.300 0.334 0.000 1.267 530 P CA -0.464 62.720 63.100 0.139 0.000 0.815 530 P CB 1.700 33.416 31.700 0.027 0.000 0.989 531 A N 4.531 127.545 122.820 0.324 0.000 2.260 531 A HA 0.627 4.948 4.320 0.002 0.000 0.314 531 A C -0.310 177.394 177.584 0.201 0.000 1.257 531 A CA -0.681 51.547 52.037 0.318 0.000 0.871 531 A CB 0.008 19.222 19.000 0.356 0.000 1.166 531 A HN 0.509 nan 8.150 nan 0.000 0.522 532 L N 2.183 123.542 121.223 0.227 0.000 2.342 532 L HA 0.518 4.859 4.340 0.002 0.000 0.271 532 L C 0.048 176.865 176.870 -0.088 0.000 1.008 532 L CA -1.063 53.810 54.840 0.056 0.000 0.818 532 L CB 1.666 43.830 42.059 0.175 0.000 1.296 532 L HN 0.721 nan 8.230 nan 0.000 0.427 533 L N 2.270 123.121 121.223 -0.621 0.000 3.660 533 L HA -0.221 4.120 4.340 0.002 0.000 0.440 533 L C -0.217 176.600 176.870 -0.089 0.000 1.262 533 L CA 0.229 54.771 54.840 -0.497 0.000 0.837 533 L CB -1.154 40.793 42.059 -0.186 0.000 1.689 533 L HN 0.720 nan 8.230 nan 0.000 0.890 534 C N 1.650 120.899 119.300 -0.084 0.000 2.611 534 C HA 0.110 4.571 4.460 0.002 0.000 0.416 534 C C 1.842 176.835 174.990 0.005 0.000 1.366 534 C CA 0.440 59.496 59.018 0.063 0.000 1.761 534 C CB -0.300 27.464 27.740 0.040 0.000 2.619 534 C HN 0.849 nan 8.230 nan 0.000 0.606 535 E N 0.727 120.924 120.200 -0.004 0.000 2.660 535 E HA -0.295 4.056 4.350 0.002 0.000 0.260 535 E C 0.145 176.479 176.600 -0.444 0.000 1.122 535 E CA 0.647 56.761 56.400 -0.478 0.000 0.755 535 E CB -1.345 28.216 29.700 -0.232 0.000 1.345 535 E HN 0.839 nan 8.360 nan 0.000 0.421 536 F N -0.190 119.546 119.950 -0.357 0.000 2.797 536 F HA -0.295 4.233 4.527 0.002 0.000 0.273 536 F C 1.356 177.090 175.800 -0.111 0.000 1.020 536 F CA 0.932 58.857 58.000 -0.124 0.000 0.961 536 F CB -1.474 37.446 39.000 -0.135 0.000 1.020 536 F HN 0.204 nan 8.300 nan 0.000 0.840 537 S N 0.402 115.990 115.700 -0.186 0.000 2.507 537 S HA 0.475 4.946 4.470 0.002 0.000 0.235 537 S C 0.867 175.337 174.600 -0.217 0.000 0.988 537 S CA 0.506 58.601 58.200 -0.175 0.000 0.944 537 S CB 0.109 63.224 63.200 -0.141 0.000 0.762 537 S HN 1.592 nan 8.310 nan 0.000 0.526 538 A N 1.441 124.048 122.820 -0.355 0.000 2.549 538 A HA 0.682 5.003 4.320 0.002 0.000 0.297 538 A C -3.177 174.040 177.584 -0.611 0.000 1.061 538 A CA -1.835 50.001 52.037 -0.335 0.000 0.690 538 A CB 1.173 20.168 19.000 -0.009 0.000 1.287 538 A HN 0.123 nan 8.150 nan 0.000 0.402 539 P HA 0.341 nan 4.420 nan 0.000 0.238 539 P C -0.373 177.018 177.300 0.152 0.000 1.794 539 P CA 0.209 63.184 63.100 -0.208 0.000 1.088 539 P CB -0.170 31.570 31.700 0.066 0.000 1.923 540 V N -0.339 119.649 119.914 0.124 0.000 3.130 540 V HA 0.586 4.707 4.120 0.002 0.000 0.310 540 V C -0.477 175.840 176.094 0.371 0.000 1.158 540 V CA -1.535 60.886 62.300 0.202 0.000 1.029 540 V CB 2.572 34.515 31.823 0.200 0.000 1.057 540 V HN -0.028 nan 8.190 nan 0.000 0.436 541 K N 2.021 122.548 120.400 0.211 0.000 2.258 541 K HA 0.610 4.931 4.320 0.002 0.000 0.284 541 K C -0.964 175.802 176.600 0.276 0.000 1.051 541 K CA -0.474 55.990 56.287 0.296 0.000 0.923 541 K CB 1.532 34.120 32.500 0.147 0.000 1.046 541 K HN 0.655 nan 8.250 nan 0.000 0.474 542 L N 3.060 124.486 121.223 0.339 0.000 2.275 542 L HA 0.208 4.550 4.340 0.002 0.000 0.288 542 L C -0.777 176.262 176.870 0.281 0.000 1.046 542 L CA 0.221 55.264 54.840 0.338 0.000 0.805 542 L CB 0.973 43.285 42.059 0.421 0.000 1.193 542 L HN 0.560 nan 8.230 nan 0.000 0.426 543 E N 5.413 125.745 120.200 0.219 0.000 2.149 543 E HA 0.259 4.610 4.350 0.002 0.000 0.255 543 E C -1.865 174.826 176.600 0.152 0.000 0.888 543 E CA -0.374 56.120 56.400 0.158 0.000 0.742 543 E CB 1.422 31.175 29.700 0.088 0.000 1.164 543 E HN 0.539 nan 8.360 nan 0.000 0.422 544 Y N 1.568 121.832 120.300 -0.060 0.000 2.470 544 Y HA 0.222 4.773 4.550 0.002 0.000 0.341 544 Y C -0.699 174.994 175.900 -0.345 0.000 1.021 544 Y CA -1.062 56.863 58.100 -0.292 0.000 1.025 544 Y CB 1.494 39.609 38.460 -0.575 0.000 1.266 544 Y HN 0.185 nan 8.280 nan 0.000 0.448 545 K N 6.520 126.399 120.400 -0.869 0.000 2.278 545 K HA 0.113 4.434 4.320 0.002 0.000 0.237 545 K C -1.157 175.141 176.600 -0.503 0.000 1.229 545 K CA -0.217 55.757 56.287 -0.522 0.000 1.155 545 K CB -0.079 32.187 32.500 -0.391 0.000 1.590 545 K HN 0.654 nan 8.250 nan 0.000 0.290 546 W N 1.576 122.847 121.300 -0.047 0.000 2.193 546 W HA -0.073 4.588 4.660 0.001 0.000 0.338 546 W C 1.143 177.695 176.519 0.055 0.000 1.310 546 W CA -0.379 57.047 57.345 0.136 0.000 1.243 546 W CB 0.435 30.016 29.460 0.201 0.000 1.165 546 W HN 0.376 nan 8.180 nan 0.000 0.566 547 S N 1.015 116.930 115.700 0.357 0.000 2.646 547 S HA 0.159 4.630 4.470 0.002 0.000 0.276 547 S C 0.604 175.352 174.600 0.246 0.000 1.222 547 S CA -0.693 57.644 58.200 0.228 0.000 1.014 547 S CB 1.554 64.846 63.200 0.153 0.000 0.991 547 S HN 0.516 nan 8.310 nan 0.000 0.533 548 D N 1.057 121.581 120.400 0.206 0.000 2.123 548 D HA -0.107 4.534 4.640 0.002 0.000 0.196 548 D C 1.997 178.385 176.300 0.145 0.000 0.992 548 D CA 1.642 55.773 54.000 0.219 0.000 0.833 548 D CB -0.250 40.752 40.800 0.337 0.000 0.954 548 D HN 0.715 nan 8.370 nan 0.000 0.455 549 Q N -0.055 119.805 119.800 0.101 0.000 2.167 549 Q HA -0.113 4.229 4.340 0.002 0.000 0.202 549 Q C 2.201 178.282 176.000 0.135 0.000 0.970 549 Q CA 0.775 56.627 55.803 0.083 0.000 0.855 549 Q CB -0.037 28.724 28.738 0.038 0.000 0.911 549 Q HN 0.437 nan 8.270 nan 0.000 0.438 550 Q N 0.322 120.219 119.800 0.162 0.000 2.096 550 Q HA -0.156 4.185 4.340 0.002 0.000 0.204 550 Q C 2.128 178.222 176.000 0.156 0.000 0.982 550 Q CA 1.099 57.023 55.803 0.201 0.000 0.850 550 Q CB -0.056 28.925 28.738 0.405 0.000 0.901 550 Q HN 0.389 nan 8.270 nan 0.000 0.422 551 L N 0.104 121.360 121.223 0.054 0.000 2.056 551 L HA -0.159 4.182 4.340 0.002 0.000 0.207 551 L C 2.761 179.577 176.870 -0.091 0.000 1.078 551 L CA 1.588 56.341 54.840 -0.144 0.000 0.749 551 L CB -0.899 41.038 42.059 -0.203 0.000 0.901 551 L HN 0.398 nan 8.230 nan 0.000 0.433 552 T N -2.586 111.960 114.554 -0.013 0.000 2.867 552 T HA -0.242 4.109 4.350 0.002 0.000 0.268 552 T C 1.741 176.430 174.700 -0.019 0.000 1.057 552 T CA 0.932 63.003 62.100 -0.049 0.000 1.136 552 T CB -0.726 68.134 68.868 -0.013 0.000 0.874 552 T HN 0.267 nan 8.240 nan 0.000 0.466 553 F N 2.015 121.929 119.950 -0.060 0.000 2.095 553 F HA 0.050 4.577 4.527 0.001 0.000 0.298 553 F C 2.013 177.772 175.800 -0.069 0.000 1.104 553 F CA 1.236 59.240 58.000 0.006 0.000 1.232 553 F CB -0.327 38.703 39.000 0.050 0.000 0.987 553 F HN 0.060 nan 8.300 nan 0.000 0.475 554 L N -0.262 121.023 121.223 0.104 0.000 2.083 554 L HA -0.263 4.078 4.340 0.002 0.000 0.209 554 L C 2.520 179.242 176.870 -0.246 0.000 1.083 554 L CA 1.462 56.231 54.840 -0.119 0.000 0.752 554 L CB -0.628 41.356 42.059 -0.124 0.000 0.899 554 L HN 0.270 nan 8.230 nan 0.000 0.433 555 M N -1.079 118.377 119.600 -0.241 0.000 2.202 555 M HA -0.228 4.253 4.480 0.002 0.000 0.262 555 M C 2.394 178.507 176.300 -0.312 0.000 1.063 555 M CA 1.626 56.763 55.300 -0.272 0.000 1.097 555 M CB -0.273 32.149 32.600 -0.297 0.000 1.382 555 M HN 0.153 nan 8.290 nan 0.000 0.413 556 R N -1.072 119.180 120.500 -0.413 0.000 2.090 556 R HA -0.043 4.298 4.340 0.002 0.000 0.219 556 R C 1.736 177.613 176.300 -0.705 0.000 1.100 556 R CA 0.966 56.704 56.100 -0.604 0.000 0.991 556 R CB 0.240 30.043 30.300 -0.828 0.000 0.893 556 R HN 0.426 nan 8.270 nan 0.000 0.443 557 H N -1.077 117.678 119.070 -0.524 0.000 2.855 557 H HA 0.304 4.861 4.556 0.002 0.000 0.259 557 H C 0.086 175.117 175.328 -0.495 0.000 0.972 557 H CA 0.357 56.064 56.048 -0.569 0.000 1.213 557 H CB 0.410 29.589 29.762 -0.971 0.000 1.451 557 H HN 0.152 nan 8.280 nan 0.000 0.484 558 A N 1.902 124.481 122.820 -0.401 0.000 2.565 558 A HA -0.021 4.300 4.320 0.002 0.000 0.237 558 A C 1.483 179.049 177.584 -0.030 0.000 1.053 558 A CA -0.018 51.834 52.037 -0.309 0.000 0.755 558 A CB 0.316 19.212 19.000 -0.173 0.000 0.980 558 A HN 0.354 nan 8.150 nan 0.000 0.506 559 R N 1.256 121.864 120.500 0.179 0.000 2.075 559 R HA -0.075 4.266 4.340 0.002 0.000 0.232 559 R C 0.598 176.958 176.300 0.100 0.000 1.126 559 R CA 0.974 57.167 56.100 0.155 0.000 0.963 559 R CB -0.075 30.345 30.300 0.199 0.000 0.858 559 R HN 0.826 nan 8.270 nan 0.000 0.435 560 N N 1.113 119.887 118.700 0.124 0.000 2.455 560 N HA -0.032 4.709 4.740 0.002 0.000 0.280 560 N C -0.250 175.326 175.510 0.109 0.000 1.055 560 N CA -0.016 53.105 53.050 0.118 0.000 0.961 560 N CB 1.487 40.069 38.487 0.159 0.000 1.121 560 N HN -0.051 nan 8.380 nan 0.000 0.476 561 D N 2.269 122.721 120.400 0.086 0.000 2.182 561 D HA -0.184 4.457 4.640 0.002 0.000 0.201 561 D C 1.378 177.744 176.300 0.110 0.000 0.986 561 D CA 1.010 55.049 54.000 0.065 0.000 0.847 561 D CB -0.176 40.647 40.800 0.038 0.000 0.942 561 D HN 0.612 nan 8.370 nan 0.000 0.467 562 F N 1.473 121.453 119.950 0.049 0.000 2.126 562 F HA -0.233 4.295 4.527 0.002 0.000 0.299 562 F C 2.343 178.247 175.800 0.174 0.000 1.096 562 F CA 1.350 59.413 58.000 0.104 0.000 1.255 562 F CB -0.145 38.898 39.000 0.072 0.000 0.997 562 F HN -0.164 nan 8.300 nan 0.000 0.479 563 S N 0.440 116.241 115.700 0.168 0.000 2.382 563 S HA -0.175 4.296 4.470 0.002 0.000 0.228 563 S C 1.911 176.444 174.600 -0.111 0.000 1.027 563 S CA 1.322 59.550 58.200 0.046 0.000 0.991 563 S CB -0.330 62.946 63.200 0.127 0.000 0.823 563 S HN 0.421 nan 8.310 nan 0.000 0.469 564 R N -0.367 120.085 120.500 -0.081 0.000 2.075 564 R HA -0.116 4.225 4.340 0.002 0.000 0.232 564 R C 2.138 178.351 176.300 -0.145 0.000 1.126 564 R CA 1.586 57.608 56.100 -0.130 0.000 0.963 564 R CB -0.371 29.869 30.300 -0.100 0.000 0.858 564 R HN 0.536 nan 8.270 nan 0.000 0.435 565 W N 2.391 123.513 121.300 -0.295 0.000 2.355 565 W HA -0.195 4.466 4.660 0.001 0.000 0.309 565 W C 1.700 177.998 176.519 -0.369 0.000 1.206 565 W CA 1.698 58.859 57.345 -0.306 0.000 1.284 565 W CB -0.343 28.929 29.460 -0.313 0.000 1.145 565 W HN 0.012 nan 8.180 nan 0.000 0.502 566 D N 0.004 120.109 120.400 -0.491 0.000 2.144 566 D HA -0.179 4.462 4.640 0.002 0.000 0.199 566 D C 2.264 178.240 176.300 -0.540 0.000 0.984 566 D CA 2.037 55.642 54.000 -0.657 0.000 0.834 566 D CB -0.589 39.916 40.800 -0.493 0.000 0.955 566 D HN 0.164 nan 8.370 nan 0.000 0.465 567 A N 0.488 123.043 122.820 -0.443 0.000 1.902 567 A HA -0.005 4.316 4.320 0.002 0.000 0.217 567 A C 2.358 179.689 177.584 -0.420 0.000 1.181 567 A CA 2.206 53.966 52.037 -0.462 0.000 0.623 567 A CB -0.912 17.854 19.000 -0.390 0.000 0.818 567 A HN 0.284 nan 8.150 nan 0.000 0.443 568 A N -1.047 121.519 122.820 -0.424 0.000 1.933 568 A HA -0.173 4.148 4.320 0.002 0.000 0.218 568 A C 2.097 179.496 177.584 -0.308 0.000 1.175 568 A CA 1.699 53.526 52.037 -0.350 0.000 0.628 568 A CB -0.423 18.363 19.000 -0.355 0.000 0.814 568 A HN 0.492 nan 8.150 nan 0.000 0.444 569 Q N 0.175 119.638 119.800 -0.561 0.000 2.084 569 Q HA -0.092 4.249 4.340 0.002 0.000 0.202 569 Q C 2.386 178.218 176.000 -0.280 0.000 0.978 569 Q CA 1.779 57.280 55.803 -0.503 0.000 0.844 569 Q CB -0.906 27.340 28.738 -0.819 0.000 0.898 569 Q HN 0.622 nan 8.270 nan 0.000 0.426 570 S N 1.214 116.739 115.700 -0.293 0.000 2.382 570 S HA -0.114 4.357 4.470 0.002 0.000 0.228 570 S C 1.905 176.439 174.600 -0.110 0.000 1.027 570 S CA 0.834 58.919 58.200 -0.193 0.000 0.991 570 S CB -0.262 62.727 63.200 -0.352 0.000 0.823 570 S HN 0.229 nan 8.310 nan 0.000 0.469 571 L N 1.404 122.563 121.223 -0.107 0.000 2.017 571 L HA -0.005 4.336 4.340 0.002 0.000 0.208 571 L C 1.931 178.903 176.870 0.169 0.000 1.073 571 L CA 1.510 56.382 54.840 0.054 0.000 0.745 571 L CB -0.656 41.433 42.059 0.049 0.000 0.894 571 L HN 0.179 nan 8.230 nan 0.000 0.432 572 L N -0.141 121.151 121.223 0.114 0.000 2.046 572 L HA -0.126 4.215 4.340 0.002 0.000 0.208 572 L C 2.728 179.634 176.870 0.060 0.000 1.077 572 L CA 1.929 56.842 54.840 0.121 0.000 0.747 572 L CB -1.871 40.215 42.059 0.044 0.000 0.896 572 L HN 0.391 nan 8.230 nan 0.000 0.432 573 A N -1.319 121.490 122.820 -0.019 0.000 1.892 573 A HA -0.269 4.052 4.320 0.002 0.000 0.218 573 A C 2.355 179.880 177.584 -0.098 0.000 1.188 573 A CA 2.491 54.490 52.037 -0.064 0.000 0.631 573 A CB -1.046 17.909 19.000 -0.075 0.000 0.822 573 A HN 0.443 nan 8.150 nan 0.000 0.447 574 T N -1.238 113.231 114.554 -0.141 0.000 2.720 574 T HA -0.179 4.172 4.350 0.002 0.000 0.268 574 T C 1.645 176.078 174.700 -0.445 0.000 1.037 574 T CA 2.020 63.919 62.100 -0.334 0.000 1.144 574 T CB -0.437 68.130 68.868 -0.502 0.000 0.864 574 T HN 0.614 nan 8.240 nan 0.000 0.444 575 Y N 0.213 120.521 120.300 0.014 0.000 2.475 575 Y HA 0.289 4.840 4.550 0.002 0.000 0.289 575 Y C 2.054 177.970 175.900 0.027 0.000 1.121 575 Y CA -0.316 57.792 58.100 0.014 0.000 1.257 575 Y CB -0.486 37.971 38.460 -0.005 0.000 1.026 575 Y HN 0.190 nan 8.280 nan 0.000 0.555 576 I N 0.108 120.744 120.570 0.110 0.000 2.179 576 I HA -0.306 3.865 4.170 0.002 0.000 0.242 576 I C 2.175 178.405 176.117 0.187 0.000 1.088 576 I CA 1.518 62.891 61.300 0.122 0.000 1.357 576 I CB -0.286 37.770 38.000 0.093 0.000 1.051 576 I HN 0.104 nan 8.210 nan 0.000 0.409 577 K N 0.303 120.757 120.400 0.090 0.000 2.057 577 K HA -0.212 4.109 4.320 0.002 0.000 0.207 577 K C 2.115 178.808 176.600 0.156 0.000 1.049 577 K CA 1.345 57.717 56.287 0.142 0.000 0.931 577 K CB -0.383 32.066 32.500 -0.085 0.000 0.714 577 K HN 0.132 nan 8.250 nan 0.000 0.440 578 L N 2.040 123.301 121.223 0.062 0.000 2.012 578 L HA -0.206 4.135 4.340 0.002 0.000 0.210 578 L C 1.547 178.485 176.870 0.113 0.000 1.073 578 L CA 1.846 56.730 54.840 0.073 0.000 0.748 578 L CB -0.471 41.631 42.059 0.071 0.000 0.891 578 L HN 0.184 nan 8.230 nan 0.000 0.431 579 N N -0.984 117.794 118.700 0.130 0.000 2.354 579 N HA -0.065 4.676 4.740 0.002 0.000 0.179 579 N C 1.832 177.412 175.510 0.117 0.000 1.021 579 N CA 1.282 54.403 53.050 0.118 0.000 0.887 579 N CB 0.021 38.572 38.487 0.107 0.000 0.974 579 N HN 0.284 nan 8.380 nan 0.000 0.437 580 V N 1.817 121.805 119.914 0.123 0.000 2.343 580 V HA -0.192 3.929 4.120 0.002 0.000 0.247 580 V C 2.508 178.641 176.094 0.065 0.000 1.051 580 V CA 1.806 64.132 62.300 0.043 0.000 1.036 580 V CB -0.816 30.962 31.823 -0.074 0.000 0.654 580 V HN 0.246 nan 8.190 nan 0.000 0.451 581 A N -0.052 122.828 122.820 0.101 0.000 1.908 581 A HA -0.248 4.073 4.320 0.002 0.000 0.218 581 A C 2.365 179.993 177.584 0.074 0.000 1.181 581 A CA 1.954 54.040 52.037 0.082 0.000 0.627 581 A CB -0.506 18.547 19.000 0.088 0.000 0.818 581 A HN 0.515 nan 8.150 nan 0.000 0.445 582 R N -1.613 118.936 120.500 0.083 0.000 2.073 582 R HA -0.153 4.188 4.340 0.002 0.000 0.234 582 R C 2.351 178.688 176.300 0.062 0.000 1.134 582 R CA 1.356 57.495 56.100 0.065 0.000 0.952 582 R CB -0.630 29.710 30.300 0.067 0.000 0.850 582 R HN 0.769 nan 8.270 nan 0.000 0.433 583 H N 1.488 120.558 119.070 0.002 0.000 2.319 583 H HA -0.162 4.395 4.556 0.002 0.000 0.297 583 H C 1.676 176.994 175.328 -0.016 0.000 1.097 583 H CA 1.932 57.974 56.048 -0.011 0.000 1.285 583 H CB 0.164 29.912 29.762 -0.024 0.000 1.368 583 H HN 0.311 nan 8.280 nan 0.000 0.495 584 Q N -0.402 119.474 119.800 0.127 0.000 2.291 584 Q HA -0.116 4.225 4.340 0.002 0.000 0.206 584 Q C 1.512 177.508 176.000 -0.006 0.000 0.976 584 Q CA 0.924 56.767 55.803 0.067 0.000 0.875 584 Q CB 0.223 28.995 28.738 0.056 0.000 0.927 584 Q HN 0.427 nan 8.270 nan 0.000 0.450 585 Q N -1.065 118.727 119.800 -0.015 0.000 2.220 585 Q HA 0.157 4.498 4.340 0.002 0.000 0.205 585 Q C 0.632 176.601 176.000 -0.052 0.000 0.865 585 Q CA 0.549 56.338 55.803 -0.023 0.000 0.960 585 Q CB 1.156 29.892 28.738 -0.002 0.000 1.097 585 Q HN 0.471 nan 8.270 nan 0.000 0.493 586 G N 1.312 110.047 108.800 -0.108 0.000 2.147 586 G HA2 -0.286 3.675 3.960 0.002 0.000 0.244 586 G HA3 -0.286 3.675 3.960 0.002 0.000 0.244 586 G C -0.091 174.754 174.900 -0.092 0.000 1.005 586 G CA 0.149 45.169 45.100 -0.134 0.000 0.713 586 G HN 0.357 nan 8.290 nan 0.000 0.515 587 Q N 0.250 120.011 119.800 -0.065 0.000 2.266 587 Q HA 0.578 4.919 4.340 0.002 0.000 0.261 587 Q C -2.132 173.861 176.000 -0.011 0.000 0.985 587 Q CA -1.963 53.824 55.803 -0.027 0.000 0.873 587 Q CB 2.408 31.144 28.738 -0.002 0.000 1.306 587 Q HN 0.293 nan 8.270 nan 0.000 0.447 588 P HA 0.101 nan 4.420 nan 0.000 0.277 588 P C -0.686 176.629 177.300 0.027 0.000 1.271 588 P CA -0.659 62.449 63.100 0.012 0.000 0.795 588 P CB 0.711 32.415 31.700 0.006 0.000 1.101 589 L N 0.572 121.813 121.223 0.030 0.000 2.525 589 L HA 0.129 4.470 4.340 0.002 0.000 0.278 589 L C 0.469 177.350 176.870 0.018 0.000 1.218 589 L CA 1.080 55.938 54.840 0.029 0.000 0.878 589 L CB 0.133 42.200 42.059 0.014 0.000 1.127 589 L HN 0.398 nan 8.230 nan 0.000 0.492 590 S N 5.010 120.728 115.700 0.030 0.000 2.532 590 S HA 0.758 5.229 4.470 0.002 0.000 0.299 590 S C -1.236 173.361 174.600 -0.005 0.000 1.105 590 S CA -0.691 57.519 58.200 0.018 0.000 1.018 590 S CB 1.045 64.273 63.200 0.046 0.000 1.021 590 S HN 0.578 nan 8.310 nan 0.000 0.483 591 L N 5.949 127.120 121.223 -0.086 0.000 2.516 591 L HA 0.625 4.966 4.340 0.002 0.000 0.267 591 L C -2.602 174.097 176.870 -0.284 0.000 0.957 591 L CA -1.164 53.536 54.840 -0.234 0.000 0.860 591 L CB 1.851 43.779 42.059 -0.218 0.000 1.265 591 L HN 0.502 nan 8.230 nan 0.000 0.403 592 P HA 0.147 nan 4.420 nan 0.000 0.268 592 P C 1.014 178.079 177.300 -0.392 0.000 1.205 592 P CA -0.421 62.433 63.100 -0.409 0.000 0.771 592 P CB 0.861 32.152 31.700 -0.683 0.000 0.858 593 V N 2.442 122.234 119.914 -0.204 0.000 2.324 593 V HA -0.304 3.817 4.120 0.002 0.000 0.250 593 V C 2.310 178.339 176.094 -0.108 0.000 1.060 593 V CA 2.348 64.580 62.300 -0.115 0.000 1.042 593 V CB -1.554 30.254 31.823 -0.025 0.000 0.650 593 V HN 0.784 nan 8.190 nan 0.000 0.450 594 H N -0.875 118.165 119.070 -0.049 0.000 2.489 594 H HA -0.047 4.510 4.556 0.002 0.000 0.293 594 H C 2.144 177.448 175.328 -0.039 0.000 1.066 594 H CA 1.695 57.723 56.048 -0.034 0.000 1.305 594 H CB -0.574 29.179 29.762 -0.014 0.000 1.386 594 H HN 0.373 nan 8.280 nan 0.000 0.551 595 V N 1.876 121.571 119.914 -0.366 0.000 2.323 595 V HA -0.169 3.952 4.120 0.002 0.000 0.244 595 V C 3.226 179.341 176.094 0.034 0.000 1.041 595 V CA 1.512 63.710 62.300 -0.170 0.000 1.025 595 V CB -1.071 30.510 31.823 -0.405 0.000 0.656 595 V HN 0.618 nan 8.190 nan 0.000 0.451 596 A N 0.088 122.873 122.820 -0.060 0.000 1.917 596 A HA -0.294 4.027 4.320 0.002 0.000 0.219 596 A C 1.964 179.576 177.584 0.048 0.000 1.182 596 A CA 2.208 54.242 52.037 -0.005 0.000 0.633 596 A CB -0.698 18.254 19.000 -0.079 0.000 0.819 596 A HN 0.545 nan 8.150 nan 0.000 0.448 597 D N -0.046 120.362 120.400 0.013 0.000 2.144 597 D HA -0.054 4.587 4.640 0.002 0.000 0.199 597 D C 2.203 178.494 176.300 -0.014 0.000 0.984 597 D CA 1.418 55.423 54.000 0.007 0.000 0.834 597 D CB -0.409 40.401 40.800 0.017 0.000 0.955 597 D HN 0.452 nan 8.370 nan 0.000 0.465 598 A N 0.028 122.831 122.820 -0.029 0.000 1.933 598 A HA -0.148 4.173 4.320 0.002 0.000 0.218 598 A C 1.996 179.400 177.584 -0.300 0.000 1.175 598 A CA 0.974 52.904 52.037 -0.179 0.000 0.628 598 A CB -0.878 17.971 19.000 -0.253 0.000 0.814 598 A HN 0.168 nan 8.150 nan 0.000 0.444 599 F N -0.656 119.233 119.950 -0.101 0.000 2.259 599 F HA 0.016 4.544 4.527 0.002 0.000 0.298 599 F C 2.382 178.114 175.800 -0.115 0.000 1.088 599 F CA 1.308 59.240 58.000 -0.115 0.000 1.358 599 F CB -0.238 38.672 39.000 -0.149 0.000 1.040 599 F HN 0.138 nan 8.300 nan 0.000 0.505 600 R N 0.762 121.289 120.500 0.045 0.000 2.083 600 R HA -0.201 4.140 4.340 0.002 0.000 0.237 600 R C 2.345 178.625 176.300 -0.034 0.000 1.137 600 R CA 1.455 57.550 56.100 -0.010 0.000 0.951 600 R CB -0.526 29.763 30.300 -0.018 0.000 0.851 600 R HN 0.271 nan 8.270 nan 0.000 0.434 601 A N 0.160 122.943 122.820 -0.062 0.000 1.940 601 A HA -0.114 4.207 4.320 0.002 0.000 0.219 601 A C 2.263 179.792 177.584 -0.093 0.000 1.176 601 A CA 1.618 53.604 52.037 -0.085 0.000 0.631 601 A CB -0.493 18.438 19.000 -0.115 0.000 0.814 601 A HN 0.243 nan 8.150 nan 0.000 0.446 602 V N -0.087 119.761 119.914 -0.109 0.000 2.343 602 V HA -0.255 3.866 4.120 0.002 0.000 0.247 602 V C 2.548 178.621 176.094 -0.035 0.000 1.051 602 V CA 1.931 64.177 62.300 -0.090 0.000 1.036 602 V CB -0.727 31.032 31.823 -0.106 0.000 0.654 602 V HN 0.578 nan 8.190 nan 0.000 0.451 603 L N -0.772 120.443 121.223 -0.013 0.000 2.079 603 L HA -0.166 4.175 4.340 0.002 0.000 0.210 603 L C 2.101 178.968 176.870 -0.005 0.000 1.081 603 L CA 1.561 56.404 54.840 0.005 0.000 0.752 603 L CB -0.269 41.792 42.059 0.003 0.000 0.896 603 L HN 0.316 nan 8.230 nan 0.000 0.433 604 L N -1.460 119.750 121.223 -0.020 0.000 2.592 604 L HA 0.074 4.415 4.340 0.002 0.000 0.227 604 L C 0.452 177.303 176.870 -0.031 0.000 1.127 604 L CA -0.322 54.505 54.840 -0.021 0.000 0.884 604 L CB -0.172 41.873 42.059 -0.024 0.000 1.065 604 L HN 0.096 nan 8.230 nan 0.000 0.457 605 D N 1.461 121.835 120.400 -0.043 0.000 2.358 605 D HA -0.031 4.610 4.640 0.002 0.000 0.258 605 D C 0.828 177.104 176.300 -0.039 0.000 1.223 605 D CA 0.369 54.337 54.000 -0.053 0.000 0.886 605 D CB 1.075 41.830 40.800 -0.075 0.000 1.120 605 D HN 0.232 nan 8.370 nan 0.000 0.482 606 E N 2.346 122.524 120.200 -0.036 0.000 2.435 606 E HA -0.049 4.302 4.350 0.002 0.000 0.195 606 E C 1.154 177.737 176.600 -0.029 0.000 1.029 606 E CA 0.473 56.857 56.400 -0.027 0.000 0.865 606 E CB 0.522 30.208 29.700 -0.023 0.000 0.833 606 E HN 0.442 nan 8.360 nan 0.000 0.510 607 K N 0.442 120.819 120.400 -0.039 0.000 2.284 607 K HA 0.146 4.467 4.320 0.002 0.000 0.198 607 K C 0.966 177.542 176.600 -0.039 0.000 1.048 607 K CA -0.104 56.160 56.287 -0.038 0.000 0.987 607 K CB 0.524 32.996 32.500 -0.046 0.000 0.800 607 K HN 0.060 nan 8.250 nan 0.000 0.486 608 I N 2.685 123.228 120.570 -0.045 0.000 2.710 608 I HA -0.087 4.084 4.170 0.002 0.000 0.286 608 I C 0.034 176.135 176.117 -0.028 0.000 1.181 608 I CA -0.114 61.160 61.300 -0.042 0.000 1.430 608 I CB 0.466 38.435 38.000 -0.050 0.000 1.367 608 I HN 0.082 nan 8.210 nan 0.000 0.577 609 D N 9.777 130.162 120.400 -0.025 0.000 2.472 609 D HA 0.020 4.662 4.640 0.002 0.000 0.248 609 D C -1.674 174.619 176.300 -0.012 0.000 1.174 609 D CA -1.638 52.351 54.000 -0.019 0.000 0.883 609 D CB 1.360 42.148 40.800 -0.020 0.000 1.149 609 D HN 0.291 nan 8.370 nan 0.000 0.488 610 P HA -0.154 nan 4.420 nan 0.000 0.217 610 P C 0.949 178.251 177.300 0.004 0.000 1.148 610 P CA 1.685 64.785 63.100 -0.000 0.000 0.828 610 P CB 0.097 31.793 31.700 -0.006 0.000 0.783 611 A N -0.647 122.168 122.820 -0.008 0.000 1.908 611 A HA -0.194 4.127 4.320 0.002 0.000 0.218 611 A C 2.135 179.711 177.584 -0.013 0.000 1.181 611 A CA 1.665 53.693 52.037 -0.014 0.000 0.627 611 A CB -1.588 17.397 19.000 -0.025 0.000 0.818 611 A HN 0.198 nan 8.150 nan 0.000 0.445 612 L N -0.449 120.768 121.223 -0.009 0.000 2.044 612 L HA 0.076 4.417 4.340 0.002 0.000 0.205 612 L C 2.650 179.545 176.870 0.041 0.000 1.075 612 L CA 2.123 56.965 54.840 0.004 0.000 0.747 612 L CB -0.915 41.144 42.059 0.000 0.000 0.903 612 L HN 0.317 nan 8.230 nan 0.000 0.435 613 A N -0.074 122.766 122.820 0.033 0.000 1.917 613 A HA -0.200 4.121 4.320 0.002 0.000 0.219 613 A C 2.478 180.122 177.584 0.100 0.000 1.182 613 A CA 2.175 54.245 52.037 0.055 0.000 0.633 613 A CB -1.330 17.692 19.000 0.037 0.000 0.819 613 A HN 0.618 nan 8.150 nan 0.000 0.448 614 A N -0.546 122.322 122.820 0.081 0.000 1.908 614 A HA -0.170 4.151 4.320 0.002 0.000 0.218 614 A C 1.937 179.594 177.584 0.122 0.000 1.181 614 A CA 1.823 53.919 52.037 0.097 0.000 0.627 614 A CB -0.398 18.638 19.000 0.059 0.000 0.818 614 A HN 0.490 nan 8.150 nan 0.000 0.445 615 E N -0.094 120.167 120.200 0.102 0.000 2.107 615 E HA -0.060 4.291 4.350 0.002 0.000 0.191 615 E C 1.961 178.792 176.600 0.386 0.000 0.982 615 E CA 0.786 57.268 56.400 0.136 0.000 0.809 615 E CB -0.430 29.203 29.700 -0.110 0.000 0.756 615 E HN 0.737 nan 8.360 nan 0.000 0.459 616 I N 0.747 121.539 120.570 0.371 0.000 2.361 616 I HA -0.224 3.947 4.170 0.002 0.000 0.251 616 I C 1.923 178.266 176.117 0.377 0.000 1.133 616 I CA 0.892 62.401 61.300 0.348 0.000 1.413 616 I CB -0.121 37.977 38.000 0.163 0.000 1.073 616 I HN 0.002 nan 8.210 nan 0.000 0.424 617 L N 0.070 121.488 121.223 0.325 0.000 2.612 617 L HA 0.068 4.409 4.340 0.002 0.000 0.230 617 L C 0.195 177.270 176.870 0.341 0.000 1.140 617 L CA 0.181 55.251 54.840 0.383 0.000 0.896 617 L CB -0.342 41.929 42.059 0.353 0.000 1.065 617 L HN 0.060 nan 8.230 nan 0.000 0.447 618 T N 1.482 116.182 114.554 0.244 0.000 2.770 618 T HA 0.401 4.752 4.350 0.002 0.000 0.297 618 T C 0.207 174.988 174.700 0.134 0.000 0.997 618 T CA -0.408 61.774 62.100 0.136 0.000 0.949 618 T CB 0.962 69.902 68.868 0.119 0.000 0.941 618 T HN -0.004 nan 8.240 nan 0.000 0.457 619 L N 5.285 126.531 121.223 0.038 0.000 2.461 619 L HA 0.251 4.592 4.340 0.002 0.000 0.272 619 L C -1.620 175.269 176.870 0.031 0.000 1.197 619 L CA -1.941 52.908 54.840 0.016 0.000 0.836 619 L CB -0.054 41.969 42.059 -0.060 0.000 1.105 619 L HN 0.310 nan 8.230 nan 0.000 0.477 620 P HA -0.016 nan 4.420 nan 0.000 0.265 620 P C -0.366 176.947 177.300 0.022 0.000 1.187 620 P CA -0.211 62.915 63.100 0.044 0.000 0.766 620 P CB 0.448 32.157 31.700 0.016 0.000 0.820 621 S N 1.175 116.893 115.700 0.030 0.000 2.596 621 S HA 0.049 4.520 4.470 0.002 0.000 0.260 621 S C 1.575 176.187 174.600 0.021 0.000 1.336 621 S CA -0.087 58.121 58.200 0.014 0.000 0.993 621 S CB 0.074 63.285 63.200 0.019 0.000 0.923 621 S HN 0.394 nan 8.310 nan 0.000 0.567 622 V N -0.130 119.792 119.914 0.014 0.000 2.568 622 V HA -0.195 3.926 4.120 0.002 0.000 0.253 622 V C 1.726 177.854 176.094 0.056 0.000 1.072 622 V CA 2.071 64.387 62.300 0.028 0.000 1.084 622 V CB -1.728 30.104 31.823 0.015 0.000 0.676 622 V HN 0.847 nan 8.190 nan 0.000 0.469 623 N N 0.514 119.245 118.700 0.052 0.000 2.171 623 N HA -0.100 4.641 4.740 0.002 0.000 0.184 623 N C 1.903 177.454 175.510 0.068 0.000 1.021 623 N CA 1.392 54.481 53.050 0.066 0.000 0.854 623 N CB -0.228 38.290 38.487 0.053 0.000 0.994 623 N HN 0.622 nan 8.380 nan 0.000 0.426 624 E N 0.737 120.968 120.200 0.050 0.000 2.077 624 E HA -0.164 4.187 4.350 0.002 0.000 0.193 624 E C 1.872 178.509 176.600 0.062 0.000 0.989 624 E CA 1.048 57.474 56.400 0.043 0.000 0.800 624 E CB -0.058 29.663 29.700 0.036 0.000 0.746 624 E HN 0.405 nan 8.360 nan 0.000 0.452 625 M N 0.399 120.049 119.600 0.083 0.000 2.159 625 M HA -0.137 4.344 4.480 0.002 0.000 0.263 625 M C 2.533 178.988 176.300 0.259 0.000 1.063 625 M CA 1.291 56.677 55.300 0.143 0.000 1.110 625 M CB -0.273 32.418 32.600 0.151 0.000 1.374 625 M HN 0.123 nan 8.290 nan 0.000 0.411 626 A N 0.259 123.205 122.820 0.209 0.000 1.948 626 A HA -0.234 4.087 4.320 0.002 0.000 0.220 626 A C 1.929 179.651 177.584 0.229 0.000 1.177 626 A CA 2.157 54.334 52.037 0.234 0.000 0.636 626 A CB -0.720 18.355 19.000 0.124 0.000 0.815 626 A HN 0.470 nan 8.150 nan 0.000 0.449 627 E N 0.358 120.646 120.200 0.147 0.000 2.209 627 E HA -0.139 4.212 4.350 0.002 0.000 0.196 627 E C 1.561 178.192 176.600 0.053 0.000 0.993 627 E CA 1.099 57.574 56.400 0.125 0.000 0.819 627 E CB -0.518 29.262 29.700 0.133 0.000 0.745 627 E HN 0.652 nan 8.360 nan 0.000 0.477 628 L N -0.494 120.681 121.223 -0.080 0.000 2.551 628 L HA 0.076 4.417 4.340 0.002 0.000 0.228 628 L C -0.025 176.492 176.870 -0.587 0.000 1.153 628 L CA 0.031 54.635 54.840 -0.394 0.000 0.851 628 L CB -0.121 41.533 42.059 -0.674 0.000 0.959 628 L HN -0.006 nan 8.230 nan 0.000 0.451 629 F N -1.355 118.597 119.950 0.003 0.000 2.532 629 F HA 0.267 4.795 4.527 0.002 0.000 0.321 629 F C 1.012 176.791 175.800 -0.035 0.000 1.089 629 F CA -0.992 56.995 58.000 -0.023 0.000 0.926 629 F CB 1.086 40.057 39.000 -0.049 0.000 1.168 629 F HN -0.240 nan 8.300 nan 0.000 0.459 630 D N 1.101 121.588 120.400 0.145 0.000 2.084 630 D HA -0.018 4.623 4.640 0.002 0.000 0.196 630 D C 0.655 176.966 176.300 0.018 0.000 0.985 630 D CA 1.695 55.733 54.000 0.063 0.000 0.826 630 D CB 0.305 41.133 40.800 0.046 0.000 0.978 630 D HN 0.045 nan 8.370 nan 0.000 0.456 631 I N 1.861 122.440 120.570 0.016 0.000 2.339 631 I HA 0.240 4.411 4.170 0.002 0.000 0.290 631 I C 0.290 176.313 176.117 -0.158 0.000 0.994 631 I CA -0.669 60.578 61.300 -0.088 0.000 1.191 631 I CB 1.225 39.190 38.000 -0.058 0.000 1.343 631 I HN -0.159 nan 8.210 nan 0.000 0.458 632 I N 5.406 125.762 120.570 -0.356 0.000 2.416 632 I HA 0.095 4.266 4.170 0.002 0.000 0.288 632 I C 0.338 176.246 176.117 -0.348 0.000 1.051 632 I CA -0.079 60.973 61.300 -0.413 0.000 1.375 632 I CB 0.685 38.319 38.000 -0.611 0.000 1.407 632 I HN 0.440 nan 8.210 nan 0.000 0.516 633 D N 9.672 129.875 120.400 -0.328 0.000 2.485 633 D HA 0.222 4.863 4.640 0.002 0.000 0.229 633 D C -1.623 174.569 176.300 -0.180 0.000 1.101 633 D CA -2.320 51.554 54.000 -0.210 0.000 0.906 633 D CB 1.468 42.126 40.800 -0.236 0.000 1.019 633 D HN 0.225 nan 8.370 nan 0.000 0.516 634 P HA -0.041 nan 4.420 nan 0.000 0.221 634 P C 1.761 179.030 177.300 -0.052 0.000 1.150 634 P CA 0.469 63.569 63.100 0.000 0.000 0.800 634 P CB 0.779 32.567 31.700 0.146 0.000 0.787 635 I N 0.152 120.681 120.570 -0.067 0.000 2.233 635 I HA -0.160 4.011 4.170 0.002 0.000 0.243 635 I C 2.627 178.568 176.117 -0.294 0.000 1.093 635 I CA 1.240 62.479 61.300 -0.101 0.000 1.380 635 I CB -0.913 37.072 38.000 -0.025 0.000 1.067 635 I HN -0.105 nan 8.210 nan 0.000 0.413 636 A N 1.296 123.861 122.820 -0.425 0.000 1.883 636 A HA -0.214 4.107 4.320 0.002 0.000 0.217 636 A C 2.308 179.601 177.584 -0.485 0.000 1.186 636 A CA 1.689 53.244 52.037 -0.804 0.000 0.624 636 A CB -0.925 17.804 19.000 -0.452 0.000 0.822 636 A HN 0.378 nan 8.150 nan 0.000 0.444 637 I N -0.409 119.976 120.570 -0.309 0.000 2.179 637 I HA -0.305 3.866 4.170 0.002 0.000 0.242 637 I C 2.998 179.036 176.117 -0.132 0.000 1.088 637 I CA 1.135 62.327 61.300 -0.181 0.000 1.357 637 I CB -0.345 37.581 38.000 -0.123 0.000 1.051 637 I HN 0.378 nan 8.210 nan 0.000 0.409 638 A N 0.248 122.991 122.820 -0.128 0.000 1.877 638 A HA -0.197 4.124 4.320 0.002 0.000 0.216 638 A C 2.237 179.761 177.584 -0.100 0.000 1.186 638 A CA 1.521 53.505 52.037 -0.090 0.000 0.620 638 A CB -0.433 18.530 19.000 -0.062 0.000 0.822 638 A HN 0.337 nan 8.150 nan 0.000 0.443 639 E N -0.193 119.921 120.200 -0.143 0.000 2.072 639 E HA -0.097 4.254 4.350 0.002 0.000 0.191 639 E C 2.204 178.767 176.600 -0.062 0.000 0.985 639 E CA 1.237 57.586 56.400 -0.085 0.000 0.801 639 E CB -0.587 29.066 29.700 -0.079 0.000 0.750 639 E HN 0.380 nan 8.360 nan 0.000 0.452 640 V N 1.205 121.056 119.914 -0.106 0.000 2.427 640 V HA -0.203 3.918 4.120 0.002 0.000 0.248 640 V C 2.585 178.643 176.094 -0.060 0.000 1.051 640 V CA 1.649 63.921 62.300 -0.047 0.000 1.048 640 V CB -0.444 31.358 31.823 -0.033 0.000 0.666 640 V HN 0.167 nan 8.190 nan 0.000 0.456 641 R N 0.019 120.469 120.500 -0.083 0.000 2.081 641 R HA -0.232 4.109 4.340 0.002 0.000 0.235 641 R C 2.392 178.578 176.300 -0.190 0.000 1.131 641 R CA 2.147 58.179 56.100 -0.114 0.000 0.960 641 R CB -0.233 30.003 30.300 -0.106 0.000 0.856 641 R HN 0.668 nan 8.270 nan 0.000 0.436 642 E N -0.371 119.718 120.200 -0.185 0.000 2.051 642 E HA -0.190 4.161 4.350 0.002 0.000 0.192 642 E C 1.767 178.247 176.600 -0.201 0.000 0.991 642 E CA 1.197 57.436 56.400 -0.268 0.000 0.799 642 E CB -0.108 29.531 29.700 -0.102 0.000 0.748 642 E HN 0.465 nan 8.360 nan 0.000 0.449 643 A N 0.995 123.763 122.820 -0.086 0.000 1.902 643 A HA -0.160 4.161 4.320 0.002 0.000 0.217 643 A C 2.122 179.673 177.584 -0.055 0.000 1.181 643 A CA 1.221 53.235 52.037 -0.038 0.000 0.623 643 A CB -0.621 18.382 19.000 0.006 0.000 0.818 643 A HN 0.384 nan 8.150 nan 0.000 0.443 644 L N -0.127 121.051 121.223 -0.074 0.000 2.046 644 L HA -0.107 4.234 4.340 0.002 0.000 0.208 644 L C 2.459 179.293 176.870 -0.061 0.000 1.077 644 L CA 2.776 57.573 54.840 -0.073 0.000 0.747 644 L CB -1.097 40.918 42.059 -0.074 0.000 0.896 644 L HN 0.380 nan 8.230 nan 0.000 0.432 645 T N -0.403 114.076 114.554 -0.125 0.000 2.708 645 T HA -0.191 4.160 4.350 0.002 0.000 0.266 645 T C 2.002 176.715 174.700 0.022 0.000 1.037 645 T CA 1.704 63.742 62.100 -0.103 0.000 1.146 645 T CB -0.219 68.277 68.868 -0.620 0.000 0.865 645 T HN 0.357 nan 8.240 nan 0.000 0.435 646 R N 0.471 120.943 120.500 -0.048 0.000 2.081 646 R HA -0.046 4.295 4.340 0.002 0.000 0.235 646 R C 2.785 179.114 176.300 0.048 0.000 1.131 646 R CA 1.548 57.692 56.100 0.074 0.000 0.960 646 R CB -0.671 29.680 30.300 0.085 0.000 0.856 646 R HN 0.314 nan 8.270 nan 0.000 0.436 647 T N 1.648 116.202 114.554 0.001 0.000 2.708 647 T HA -0.075 4.276 4.350 0.002 0.000 0.266 647 T C 1.886 176.550 174.700 -0.059 0.000 1.037 647 T CA 1.031 63.114 62.100 -0.029 0.000 1.146 647 T CB -0.116 68.722 68.868 -0.050 0.000 0.865 647 T HN 0.122 nan 8.240 nan 0.000 0.435 648 L N 0.694 121.865 121.223 -0.087 0.000 2.093 648 L HA -0.043 4.298 4.340 0.002 0.000 0.208 648 L C 3.023 179.780 176.870 -0.188 0.000 1.085 648 L CA 1.020 55.731 54.840 -0.215 0.000 0.755 648 L CB -0.645 41.169 42.059 -0.408 0.000 0.904 648 L HN 0.237 nan 8.230 nan 0.000 0.435 649 A N -0.349 122.470 122.820 -0.001 0.000 1.902 649 A HA -0.198 4.123 4.320 0.002 0.000 0.217 649 A C 2.364 179.957 177.584 0.015 0.000 1.181 649 A CA 2.385 54.464 52.037 0.071 0.000 0.623 649 A CB -0.817 18.311 19.000 0.213 0.000 0.818 649 A HN 0.383 nan 8.150 nan 0.000 0.443 650 T N -0.766 113.792 114.554 0.008 0.000 2.770 650 T HA -0.082 4.269 4.350 0.002 0.000 0.263 650 T C 1.932 176.616 174.700 -0.026 0.000 1.039 650 T CA 1.577 63.676 62.100 -0.001 0.000 1.142 650 T CB -0.204 68.665 68.868 0.003 0.000 0.868 650 T HN 0.568 nan 8.240 nan 0.000 0.435 651 E N 1.034 121.203 120.200 -0.051 0.000 2.150 651 E HA 0.010 4.361 4.350 0.002 0.000 0.193 651 E C 1.339 177.900 176.600 -0.064 0.000 0.985 651 E CA 0.874 57.238 56.400 -0.059 0.000 0.814 651 E CB -0.274 29.379 29.700 -0.078 0.000 0.752 651 E HN 0.455 nan 8.360 nan 0.000 0.466 652 L N -0.727 120.442 121.223 -0.090 0.000 2.910 652 L HA 0.435 4.776 4.340 0.002 0.000 0.252 652 L C 1.747 178.582 176.870 -0.059 0.000 1.195 652 L CA 0.205 54.989 54.840 -0.093 0.000 1.003 652 L CB 0.183 42.141 42.059 -0.169 0.000 1.328 652 L HN 0.074 nan 8.230 nan 0.000 0.540 653 A N 0.728 123.527 122.820 -0.033 0.000 1.903 653 A HA -0.255 4.066 4.320 0.002 0.000 0.219 653 A C 1.886 179.471 177.584 0.001 0.000 1.191 653 A CA 2.295 54.327 52.037 -0.008 0.000 0.638 653 A CB -0.291 18.709 19.000 0.001 0.000 0.823 653 A HN 0.374 nan 8.150 nan 0.000 0.451 654 D N -0.602 119.798 120.400 -0.001 0.000 2.117 654 D HA -0.086 4.555 4.640 0.002 0.000 0.198 654 D C 1.966 178.275 176.300 0.015 0.000 0.982 654 D CA 1.586 55.591 54.000 0.009 0.000 0.828 654 D CB -0.426 40.377 40.800 0.005 0.000 0.967 654 D HN 0.573 nan 8.370 nan 0.000 0.464 655 E N 0.569 120.772 120.200 0.004 0.000 2.077 655 E HA -0.079 4.272 4.350 0.002 0.000 0.193 655 E C 2.338 178.955 176.600 0.029 0.000 0.989 655 E CA 0.368 56.773 56.400 0.009 0.000 0.800 655 E CB -0.292 29.402 29.700 -0.010 0.000 0.746 655 E HN 0.234 nan 8.360 nan 0.000 0.452 656 L N 0.019 121.255 121.223 0.022 0.000 2.046 656 L HA -0.182 4.159 4.340 0.002 0.000 0.208 656 L C 2.312 179.249 176.870 0.111 0.000 1.077 656 L CA 0.657 55.533 54.840 0.061 0.000 0.747 656 L CB -0.389 41.697 42.059 0.045 0.000 0.896 656 L HN 0.193 nan 8.230 nan 0.000 0.432 657 L N -0.050 121.222 121.223 0.080 0.000 2.056 657 L HA -0.125 4.216 4.340 0.002 0.000 0.207 657 L C 2.625 179.588 176.870 0.155 0.000 1.078 657 L CA 1.952 56.858 54.840 0.111 0.000 0.749 657 L CB -0.739 41.356 42.059 0.059 0.000 0.901 657 L HN 0.155 nan 8.230 nan 0.000 0.433 658 A N -0.322 122.557 122.820 0.098 0.000 1.908 658 A HA -0.182 4.139 4.320 0.002 0.000 0.218 658 A C 2.115 179.754 177.584 0.092 0.000 1.181 658 A CA 2.010 54.095 52.037 0.080 0.000 0.627 658 A CB -0.730 18.299 19.000 0.048 0.000 0.818 658 A HN 0.421 nan 8.150 nan 0.000 0.445 659 I N -1.748 118.884 120.570 0.104 0.000 2.353 659 I HA -0.152 4.019 4.170 0.002 0.000 0.248 659 I C 2.316 178.513 176.117 0.133 0.000 1.119 659 I CA 1.058 62.417 61.300 0.099 0.000 1.417 659 I CB -1.617 36.435 38.000 0.088 0.000 1.078 659 I HN 0.553 nan 8.210 nan 0.000 0.421 660 Y N 2.533 122.871 120.300 0.062 0.000 2.097 660 Y HA -0.290 4.261 4.550 0.002 0.000 0.282 660 Y C 2.318 178.268 175.900 0.083 0.000 1.152 660 Y CA 2.271 60.416 58.100 0.075 0.000 1.136 660 Y CB -0.641 37.864 38.460 0.074 0.000 0.975 660 Y HN 0.258 nan 8.280 nan 0.000 0.498 661 N N -0.217 118.542 118.700 0.097 0.000 2.188 661 N HA -0.146 4.595 4.740 0.002 0.000 0.184 661 N C 1.911 177.422 175.510 0.001 0.000 1.018 661 N CA 0.825 53.877 53.050 0.004 0.000 0.858 661 N CB -0.334 38.198 38.487 0.075 0.000 0.989 661 N HN 0.462 nan 8.380 nan 0.000 0.426 662 A N 0.830 123.664 122.820 0.024 0.000 2.067 662 A HA -0.041 4.280 4.320 0.002 0.000 0.219 662 A C 1.557 179.149 177.584 0.014 0.000 1.158 662 A CA 1.067 53.119 52.037 0.024 0.000 0.661 662 A CB -0.067 18.948 19.000 0.025 0.000 0.801 662 A HN 0.277 nan 8.150 nan 0.000 0.452 663 N N -1.340 117.352 118.700 -0.012 0.000 2.235 663 N HA 0.058 4.799 4.740 0.002 0.000 0.209 663 N C -0.354 175.117 175.510 -0.064 0.000 1.122 663 N CA -0.203 52.826 53.050 -0.036 0.000 0.845 663 N CB 0.123 38.592 38.487 -0.031 0.000 1.004 663 N HN 0.584 nan 8.380 nan 0.000 0.499 664 Y N 2.672 122.870 120.300 -0.170 0.000 2.712 664 Y HA -0.079 4.472 4.550 0.002 0.000 0.333 664 Y C -0.126 175.716 175.900 -0.096 0.000 1.225 664 Y CA 0.569 58.571 58.100 -0.163 0.000 1.499 664 Y CB 0.363 38.732 38.460 -0.152 0.000 1.288 664 Y HN 0.007 nan 8.280 nan 0.000 0.575 665 Q N 4.109 123.371 119.800 -0.897 0.000 2.292 665 Q HA 0.224 4.565 4.340 0.002 0.000 0.270 665 Q C 0.494 175.950 176.000 -0.906 0.000 1.024 665 Q CA -0.158 55.226 55.803 -0.699 0.000 0.768 665 Q CB 1.924 30.451 28.738 -0.352 0.000 1.250 665 Q HN 0.893 nan 8.270 nan 0.000 0.447 666 S N 1.311 116.617 115.700 -0.657 0.000 2.371 666 S HA -0.001 4.470 4.470 0.002 0.000 0.224 666 S C 0.588 175.091 174.600 -0.161 0.000 1.029 666 S CA 0.488 58.495 58.200 -0.323 0.000 0.978 666 S CB 0.182 63.362 63.200 -0.032 0.000 0.833 666 S HN 0.487 nan 8.310 nan 0.000 0.466 667 E N 1.105 121.217 120.200 -0.146 0.000 2.331 667 E HA 0.232 4.583 4.350 0.002 0.000 0.272 667 E C -1.416 175.131 176.600 -0.089 0.000 1.036 667 E CA -0.320 56.025 56.400 -0.092 0.000 0.864 667 E CB 0.828 30.468 29.700 -0.101 0.000 1.035 667 E HN 0.551 nan 8.360 nan 0.000 0.408 668 Y N 3.113 123.320 120.300 -0.155 0.000 2.341 668 Y HA 0.287 4.838 4.550 0.002 0.000 0.340 668 Y C -0.401 175.380 175.900 -0.199 0.000 0.997 668 Y CA -0.373 57.620 58.100 -0.178 0.000 1.149 668 Y CB 0.692 39.057 38.460 -0.159 0.000 1.171 668 Y HN 0.309 nan 8.280 nan 0.000 0.494 669 R N 4.505 124.438 120.500 -0.944 0.000 2.628 669 R HA 0.471 4.812 4.340 0.002 0.000 0.288 669 R C -1.442 174.246 176.300 -1.019 0.000 0.980 669 R CA -1.163 54.478 56.100 -0.764 0.000 0.891 669 R CB 2.090 32.124 30.300 -0.444 0.000 1.188 669 R HN 0.481 nan 8.270 nan 0.000 0.450 670 V N 3.193 122.572 119.914 -0.892 0.000 2.071 670 V HA 0.141 4.262 4.120 0.002 0.000 0.254 670 V C -0.117 175.585 176.094 -0.654 0.000 1.456 670 V CA 0.290 62.056 62.300 -0.891 0.000 1.383 670 V CB -0.652 30.443 31.823 -1.213 0.000 1.433 670 V HN 0.711 nan 8.190 nan 0.000 0.499 671 E N 0.938 120.799 120.200 -0.565 0.000 2.314 671 E HA 0.414 4.765 4.350 0.002 0.000 0.272 671 E C 0.137 176.497 176.600 -0.400 0.000 0.884 671 E CA -0.839 55.298 56.400 -0.438 0.000 0.753 671 E CB 1.690 31.221 29.700 -0.282 0.000 1.213 671 E HN 0.393 nan 8.360 nan 0.000 0.432 672 H N 1.396 120.382 119.070 -0.141 0.000 2.387 672 H HA -0.138 4.419 4.556 0.002 0.000 0.299 672 H C 1.575 176.835 175.328 -0.112 0.000 1.090 672 H CA 1.376 57.352 56.048 -0.119 0.000 1.332 672 H CB 0.400 30.107 29.762 -0.092 0.000 1.386 672 H HN 0.655 nan 8.280 nan 0.000 0.516 673 E N 0.863 121.054 120.200 -0.015 0.000 2.051 673 E HA -0.168 4.183 4.350 0.002 0.000 0.192 673 E C 1.327 177.874 176.600 -0.089 0.000 0.991 673 E CA 1.368 57.740 56.400 -0.045 0.000 0.799 673 E CB 0.183 29.852 29.700 -0.051 0.000 0.748 673 E HN 0.405 nan 8.360 nan 0.000 0.449 674 D N 0.290 120.601 120.400 -0.149 0.000 2.117 674 D HA -0.132 4.509 4.640 0.002 0.000 0.197 674 D C 1.951 178.142 176.300 -0.181 0.000 0.987 674 D CA 0.953 54.837 54.000 -0.193 0.000 0.829 674 D CB -0.134 40.493 40.800 -0.289 0.000 0.961 674 D HN 0.249 nan 8.370 nan 0.000 0.460 675 I N 0.869 121.322 120.570 -0.195 0.000 2.226 675 I HA -0.278 3.893 4.170 0.002 0.000 0.245 675 I C 2.386 178.462 176.117 -0.069 0.000 1.100 675 I CA 1.027 62.241 61.300 -0.144 0.000 1.374 675 I CB -0.254 37.653 38.000 -0.154 0.000 1.057 675 I HN -0.028 nan 8.210 nan 0.000 0.413 676 A N 0.962 123.752 122.820 -0.050 0.000 1.877 676 A HA -0.240 4.081 4.320 0.002 0.000 0.216 676 A C 2.323 179.892 177.584 -0.025 0.000 1.186 676 A CA 1.787 53.808 52.037 -0.025 0.000 0.620 676 A CB -0.495 18.493 19.000 -0.019 0.000 0.822 676 A HN 0.321 nan 8.150 nan 0.000 0.443 677 K N -0.937 119.437 120.400 -0.044 0.000 2.097 677 K HA -0.156 4.165 4.320 0.002 0.000 0.206 677 K C 2.369 178.949 176.600 -0.033 0.000 1.049 677 K CA 1.577 57.840 56.287 -0.040 0.000 0.933 677 K CB -0.159 32.303 32.500 -0.064 0.000 0.717 677 K HN 0.480 nan 8.250 nan 0.000 0.442 678 R N 0.682 121.155 120.500 -0.045 0.000 2.092 678 R HA -0.088 4.253 4.340 0.002 0.000 0.231 678 R C 1.915 178.225 176.300 0.017 0.000 1.119 678 R CA 1.750 57.836 56.100 -0.022 0.000 0.970 678 R CB -0.173 30.111 30.300 -0.027 0.000 0.864 678 R HN 0.081 nan 8.270 nan 0.000 0.440 679 T N 1.687 116.248 114.554 0.012 0.000 2.746 679 T HA -0.158 4.193 4.350 0.002 0.000 0.267 679 T C 1.603 176.337 174.700 0.056 0.000 1.039 679 T CA 1.264 63.383 62.100 0.032 0.000 1.142 679 T CB -0.222 68.656 68.868 0.017 0.000 0.866 679 T HN 0.155 nan 8.240 nan 0.000 0.444 680 L N 1.348 122.602 121.223 0.051 0.000 2.027 680 L HA 0.085 4.426 4.340 0.002 0.000 0.206 680 L C 2.515 179.453 176.870 0.114 0.000 1.074 680 L CA 1.728 56.615 54.840 0.079 0.000 0.745 680 L CB -0.632 41.461 42.059 0.056 0.000 0.898 680 L HN 0.048 nan 8.230 nan 0.000 0.433 681 R N -0.325 120.228 120.500 0.088 0.000 2.096 681 R HA -0.211 4.130 4.340 0.002 0.000 0.240 681 R C 2.062 178.510 176.300 0.247 0.000 1.139 681 R CA 2.365 58.541 56.100 0.127 0.000 0.952 681 R CB -0.391 29.902 30.300 -0.011 0.000 0.854 681 R HN 0.590 nan 8.270 nan 0.000 0.436 682 N N -0.477 118.325 118.700 0.170 0.000 2.331 682 N HA -0.077 4.664 4.740 0.002 0.000 0.180 682 N C 1.603 177.197 175.510 0.139 0.000 1.019 682 N CA 0.670 53.822 53.050 0.170 0.000 0.881 682 N CB -0.011 38.545 38.487 0.114 0.000 0.972 682 N HN 0.287 nan 8.380 nan 0.000 0.435 683 A N 0.470 123.371 122.820 0.136 0.000 1.933 683 A HA -0.139 4.182 4.320 0.002 0.000 0.218 683 A C 2.337 180.058 177.584 0.227 0.000 1.175 683 A CA 0.959 53.076 52.037 0.133 0.000 0.628 683 A CB -0.877 18.220 19.000 0.161 0.000 0.814 683 A HN 0.434 nan 8.150 nan 0.000 0.444 684 C N -1.405 118.061 119.300 0.277 0.000 2.453 684 C HA -0.043 4.418 4.460 0.002 0.000 0.277 684 C C 2.509 177.639 174.990 0.233 0.000 1.262 684 C CA 1.018 60.229 59.018 0.321 0.000 1.718 684 C CB -1.417 26.504 27.740 0.301 0.000 2.031 684 C HN 0.675 nan 8.230 nan 0.000 0.480 685 L N 1.503 122.836 121.223 0.182 0.000 2.081 685 L HA -0.152 4.189 4.340 0.002 0.000 0.212 685 L C 2.638 179.527 176.870 0.032 0.000 1.080 685 L CA 1.888 56.736 54.840 0.014 0.000 0.754 685 L CB -0.708 41.406 42.059 0.090 0.000 0.893 685 L HN 0.194 nan 8.230 nan 0.000 0.433 686 R N -0.956 119.569 120.500 0.042 0.000 2.083 686 R HA -0.198 4.143 4.340 0.002 0.000 0.237 686 R C 2.062 178.388 176.300 0.044 0.000 1.137 686 R CA 2.141 58.233 56.100 -0.014 0.000 0.951 686 R CB -0.847 29.353 30.300 -0.166 0.000 0.851 686 R HN 0.400 nan 8.270 nan 0.000 0.434 687 F N 0.072 120.088 119.950 0.110 0.000 2.146 687 F HA -0.058 4.470 4.527 0.002 0.000 0.298 687 F C 2.062 177.924 175.800 0.103 0.000 1.096 687 F CA 1.110 59.171 58.000 0.101 0.000 1.275 687 F CB -0.496 38.521 39.000 0.028 0.000 1.008 687 F HN -0.032 nan 8.300 nan 0.000 0.480 688 L N -0.399 120.949 121.223 0.207 0.000 2.127 688 L HA -0.224 4.117 4.340 0.002 0.000 0.211 688 L C 2.655 179.531 176.870 0.009 0.000 1.089 688 L CA 1.058 55.933 54.840 0.057 0.000 0.757 688 L CB -1.027 40.982 42.059 -0.084 0.000 0.899 688 L HN 0.149 nan 8.230 nan 0.000 0.434 689 A N -0.466 122.348 122.820 -0.010 0.000 2.024 689 A HA -0.170 4.151 4.320 0.002 0.000 0.220 689 A C 1.743 179.184 177.584 -0.237 0.000 1.164 689 A CA 1.450 53.398 52.037 -0.148 0.000 0.643 689 A CB -0.628 18.244 19.000 -0.213 0.000 0.806 689 A HN 0.404 nan 8.150 nan 0.000 0.451 690 F N -0.487 119.451 119.950 -0.019 0.000 2.660 690 F HA 0.311 4.839 4.527 0.002 0.000 0.302 690 F C 1.653 177.461 175.800 0.012 0.000 1.103 690 F CA -0.092 57.905 58.000 -0.005 0.000 1.340 690 F CB 0.066 39.067 39.000 0.001 0.000 1.048 690 F HN 0.253 nan 8.300 nan 0.000 0.551 691 G N -0.836 108.036 108.800 0.120 0.000 2.630 691 G HA2 0.073 4.034 3.960 0.002 0.000 0.223 691 G HA3 0.073 4.034 3.960 0.002 0.000 0.223 691 G C -0.427 174.494 174.900 0.034 0.000 1.434 691 G CA -0.413 44.733 45.100 0.077 0.000 1.057 691 G HN -0.006 nan 8.290 nan 0.000 0.570 692 E N -0.149 120.066 120.200 0.024 0.000 2.465 692 E HA -0.005 4.346 4.350 0.002 0.000 0.260 692 E C 1.456 178.063 176.600 0.010 0.000 0.980 692 E CA 0.172 56.585 56.400 0.022 0.000 0.927 692 E CB 0.602 30.320 29.700 0.029 0.000 0.934 692 E HN 0.311 nan 8.360 nan 0.000 0.459 693 T N 4.568 119.131 114.554 0.015 0.000 2.684 693 T HA -0.199 4.152 4.350 0.002 0.000 0.267 693 T C 1.524 176.230 174.700 0.011 0.000 1.036 693 T CA 1.429 63.527 62.100 -0.003 0.000 1.148 693 T CB -0.322 68.549 68.868 0.004 0.000 0.863 693 T HN 0.568 nan 8.240 nan 0.000 0.436 694 H N 0.553 119.605 119.070 -0.030 0.000 2.321 694 H HA -0.032 4.526 4.556 0.002 0.000 0.300 694 H C 2.395 177.707 175.328 -0.026 0.000 1.087 694 H CA 1.442 57.475 56.048 -0.025 0.000 1.319 694 H CB -0.312 29.440 29.762 -0.017 0.000 1.379 694 H HN 0.218 nan 8.280 nan 0.000 0.501 695 L N 1.317 122.518 121.223 -0.035 0.000 2.046 695 L HA -0.096 4.245 4.340 0.002 0.000 0.208 695 L C 2.712 179.504 176.870 -0.130 0.000 1.077 695 L CA 2.079 56.868 54.840 -0.085 0.000 0.747 695 L CB -1.161 40.889 42.059 -0.014 0.000 0.896 695 L HN 0.305 nan 8.230 nan 0.000 0.432 696 A N -0.716 122.041 122.820 -0.106 0.000 1.883 696 A HA -0.315 4.006 4.320 0.002 0.000 0.217 696 A C 2.132 179.627 177.584 -0.148 0.000 1.186 696 A CA 2.115 54.077 52.037 -0.125 0.000 0.624 696 A CB -1.175 17.754 19.000 -0.119 0.000 0.822 696 A HN 0.578 nan 8.150 nan 0.000 0.444 697 D N -0.897 119.408 120.400 -0.159 0.000 2.117 697 D HA -0.107 4.534 4.640 0.002 0.000 0.197 697 D C 1.828 178.035 176.300 -0.155 0.000 0.987 697 D CA 1.415 55.323 54.000 -0.154 0.000 0.829 697 D CB -0.035 40.680 40.800 -0.141 0.000 0.961 697 D HN 0.150 nan 8.370 nan 0.000 0.460 698 V N 0.247 120.026 119.914 -0.225 0.000 2.307 698 V HA -0.183 3.938 4.120 0.002 0.000 0.245 698 V C 2.398 178.443 176.094 -0.080 0.000 1.045 698 V CA 0.937 63.136 62.300 -0.169 0.000 1.024 698 V CB -0.423 31.254 31.823 -0.243 0.000 0.651 698 V HN 0.265 nan 8.190 nan 0.000 0.449 699 L N -0.225 120.939 121.223 -0.099 0.000 2.012 699 L HA -0.127 4.214 4.340 0.002 0.000 0.210 699 L C 2.385 179.233 176.870 -0.037 0.000 1.073 699 L CA 1.796 56.588 54.840 -0.079 0.000 0.748 699 L CB -0.774 41.178 42.059 -0.178 0.000 0.891 699 L HN 0.140 nan 8.230 nan 0.000 0.431 700 V N -0.768 119.107 119.914 -0.065 0.000 2.323 700 V HA -0.229 3.892 4.120 0.002 0.000 0.244 700 V C 2.606 178.703 176.094 0.004 0.000 1.041 700 V CA 1.598 63.876 62.300 -0.037 0.000 1.025 700 V CB -0.755 31.014 31.823 -0.091 0.000 0.656 700 V HN 0.667 nan 8.190 nan 0.000 0.451 701 S N 0.234 115.924 115.700 -0.017 0.000 2.382 701 S HA -0.294 4.177 4.470 0.002 0.000 0.228 701 S C 2.015 176.687 174.600 0.119 0.000 1.027 701 S CA 1.840 60.044 58.200 0.008 0.000 0.991 701 S CB -0.453 62.777 63.200 0.051 0.000 0.823 701 S HN 0.609 nan 8.310 nan 0.000 0.469 702 K N 1.169 121.647 120.400 0.130 0.000 2.026 702 K HA -0.187 4.134 4.320 0.002 0.000 0.208 702 K C 2.616 179.316 176.600 0.167 0.000 1.048 702 K CA 1.587 57.972 56.287 0.164 0.000 0.929 702 K CB -0.322 32.244 32.500 0.110 0.000 0.713 702 K HN 0.588 nan 8.250 nan 0.000 0.439 703 Q N -0.387 119.509 119.800 0.159 0.000 2.084 703 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 703 Q C 1.955 178.044 176.000 0.149 0.000 0.978 703 Q CA 1.626 57.535 55.803 0.177 0.000 0.844 703 Q CB -0.205 28.663 28.738 0.217 0.000 0.898 703 Q HN 0.381 nan 8.270 nan 0.000 0.426 704 F N 0.377 120.311 119.950 -0.028 0.000 2.095 704 F HA -0.218 4.310 4.527 0.002 0.000 0.298 704 F C 1.705 177.468 175.800 -0.062 0.000 1.104 704 F CA 2.256 60.205 58.000 -0.086 0.000 1.232 704 F CB -0.156 38.712 39.000 -0.220 0.000 0.987 704 F HN 0.224 nan 8.300 nan 0.000 0.475 705 H N -1.097 118.076 119.070 0.171 0.000 2.470 705 H HA 0.004 4.561 4.556 0.002 0.000 0.289 705 H C 1.710 177.036 175.328 -0.004 0.000 1.033 705 H CA 1.300 57.386 56.048 0.063 0.000 1.331 705 H CB 0.056 29.899 29.762 0.136 0.000 1.414 705 H HN 0.381 nan 8.280 nan 0.000 0.545 706 E N 0.592 120.872 120.200 0.134 0.000 2.452 706 E HA 0.183 4.534 4.350 0.002 0.000 0.197 706 E C 0.604 177.236 176.600 0.053 0.000 1.022 706 E CA -0.089 56.366 56.400 0.092 0.000 0.890 706 E CB 0.538 30.305 29.700 0.112 0.000 0.918 706 E HN 0.308 nan 8.360 nan 0.000 0.496 707 A N 2.930 125.758 122.820 0.014 0.000 2.567 707 A HA -0.062 4.259 4.320 0.002 0.000 0.240 707 A C 0.679 178.232 177.584 -0.052 0.000 1.053 707 A CA 0.168 52.193 52.037 -0.020 0.000 0.755 707 A CB -0.028 18.931 19.000 -0.067 0.000 0.978 707 A HN 0.299 nan 8.150 nan 0.000 0.507 708 N N 1.531 120.197 118.700 -0.056 0.000 2.238 708 N HA 0.045 4.786 4.740 0.002 0.000 0.222 708 N C -0.450 174.946 175.510 -0.191 0.000 1.133 708 N CA 0.039 53.039 53.050 -0.083 0.000 0.854 708 N CB -0.085 38.379 38.487 -0.037 0.000 1.041 708 N HN 0.748 nan 8.380 nan 0.000 0.510 709 N N -1.341 117.210 118.700 -0.248 0.000 2.859 709 N HA 0.069 4.810 4.740 0.002 0.000 0.250 709 N C -0.163 175.183 175.510 -0.274 0.000 1.341 709 N CA -0.566 52.217 53.050 -0.444 0.000 0.881 709 N CB 0.951 38.839 38.487 -0.998 0.000 1.516 709 N HN -0.151 nan 8.380 nan 0.000 0.503 710 M N 1.166 120.614 119.600 -0.254 0.000 2.319 710 M HA 0.033 4.514 4.480 0.002 0.000 0.265 710 M C 1.342 177.602 176.300 -0.067 0.000 1.068 710 M CA 1.812 57.030 55.300 -0.137 0.000 1.118 710 M CB -0.811 31.694 32.600 -0.159 0.000 1.395 710 M HN 0.721 nan 8.290 nan 0.000 0.435 711 T N 0.709 115.217 114.554 -0.077 0.000 2.652 711 T HA -0.152 4.199 4.350 0.002 0.000 0.267 711 T C 1.389 176.106 174.700 0.028 0.000 1.039 711 T CA 1.865 63.970 62.100 0.009 0.000 1.153 711 T CB -0.467 68.441 68.868 0.067 0.000 0.863 711 T HN 0.406 nan 8.240 nan 0.000 0.428 712 D N 0.981 121.387 120.400 0.009 0.000 2.149 712 D HA 0.100 4.741 4.640 0.002 0.000 0.201 712 D C 2.373 178.713 176.300 0.066 0.000 0.972 712 D CA 1.020 55.049 54.000 0.048 0.000 0.835 712 D CB -0.464 40.359 40.800 0.038 0.000 0.966 712 D HN 0.387 nan 8.370 nan 0.000 0.476 713 A N 0.868 123.700 122.820 0.019 0.000 1.877 713 A HA -0.142 4.179 4.320 0.002 0.000 0.216 713 A C 2.163 179.882 177.584 0.225 0.000 1.186 713 A CA 1.014 53.075 52.037 0.040 0.000 0.620 713 A CB -0.742 18.189 19.000 -0.115 0.000 0.822 713 A HN 0.232 nan 8.150 nan 0.000 0.443 714 L N -0.428 120.892 121.223 0.162 0.000 2.093 714 L HA 0.016 4.357 4.340 0.002 0.000 0.208 714 L C 2.685 179.618 176.870 0.105 0.000 1.085 714 L CA 1.883 56.815 54.840 0.154 0.000 0.755 714 L CB -0.660 41.456 42.059 0.096 0.000 0.904 714 L HN 0.351 nan 8.230 nan 0.000 0.435 715 A N -0.477 122.400 122.820 0.094 0.000 1.908 715 A HA -0.159 4.162 4.320 0.002 0.000 0.218 715 A C 2.447 180.079 177.584 0.080 0.000 1.181 715 A CA 1.892 53.976 52.037 0.078 0.000 0.627 715 A CB -1.114 17.939 19.000 0.089 0.000 0.818 715 A HN 0.543 nan 8.150 nan 0.000 0.445 716 A N -0.702 122.194 122.820 0.126 0.000 1.873 716 A HA 0.005 4.326 4.320 0.002 0.000 0.215 716 A C 2.126 179.740 177.584 0.051 0.000 1.186 716 A CA 1.676 53.781 52.037 0.114 0.000 0.616 716 A CB -0.659 18.463 19.000 0.203 0.000 0.823 716 A HN 0.605 nan 8.150 nan 0.000 0.442 717 L N 0.284 121.574 121.223 0.113 0.000 2.042 717 L HA -0.137 4.204 4.340 0.002 0.000 0.210 717 L C 2.585 179.394 176.870 -0.101 0.000 1.076 717 L CA 2.572 57.382 54.840 -0.050 0.000 0.749 717 L CB -0.692 41.386 42.059 0.032 0.000 0.893 717 L HN 0.330 nan 8.230 nan 0.000 0.432 718 S N -0.277 115.392 115.700 -0.052 0.000 2.370 718 S HA -0.185 4.286 4.470 0.002 0.000 0.226 718 S C 2.087 176.644 174.600 -0.071 0.000 1.033 718 S CA 1.154 59.314 58.200 -0.067 0.000 1.011 718 S CB -0.675 62.508 63.200 -0.029 0.000 0.852 718 S HN 0.656 nan 8.310 nan 0.000 0.457 719 A N 1.579 124.363 122.820 -0.061 0.000 1.930 719 A HA 0.163 4.484 4.320 0.002 0.000 0.217 719 A C 2.369 179.840 177.584 -0.188 0.000 1.175 719 A CA 1.607 53.586 52.037 -0.096 0.000 0.627 719 A CB -1.069 17.887 19.000 -0.073 0.000 0.815 719 A HN 0.513 nan 8.150 nan 0.000 0.443 720 A N -0.504 122.212 122.820 -0.172 0.000 1.902 720 A HA -0.014 4.307 4.320 0.002 0.000 0.217 720 A C 2.231 179.693 177.584 -0.204 0.000 1.181 720 A CA 1.882 53.797 52.037 -0.203 0.000 0.623 720 A CB -0.873 18.001 19.000 -0.211 0.000 0.818 720 A HN 0.384 nan 8.150 nan 0.000 0.443 721 V N -0.294 119.509 119.914 -0.185 0.000 2.307 721 V HA -0.191 3.930 4.120 0.002 0.000 0.245 721 V C 3.056 179.068 176.094 -0.137 0.000 1.045 721 V CA 1.839 64.038 62.300 -0.169 0.000 1.024 721 V CB -1.266 30.448 31.823 -0.182 0.000 0.651 721 V HN 0.604 nan 8.190 nan 0.000 0.449 722 A N 0.007 122.761 122.820 -0.110 0.000 1.902 722 A HA -0.063 4.258 4.320 0.002 0.000 0.217 722 A C 2.186 179.700 177.584 -0.116 0.000 1.181 722 A CA 2.076 54.111 52.037 -0.002 0.000 0.623 722 A CB -0.595 18.495 19.000 0.149 0.000 0.818 722 A HN 0.610 nan 8.150 nan 0.000 0.443 723 A N -1.853 120.660 122.820 -0.511 0.000 2.275 723 A HA 0.325 4.646 4.320 0.002 0.000 0.212 723 A C 0.764 178.130 177.584 -0.363 0.000 1.201 723 A CA 0.615 52.155 52.037 -0.828 0.000 0.843 723 A CB -0.378 17.897 19.000 -1.208 0.000 0.873 723 A HN 0.561 nan 8.150 nan 0.000 0.492 724 Q N -0.511 119.149 119.800 -0.232 0.000 2.451 724 Q HA -0.173 4.168 4.340 0.002 0.000 0.305 724 Q C -0.683 175.226 176.000 -0.152 0.000 1.345 724 Q CA 0.332 56.043 55.803 -0.153 0.000 0.854 724 Q CB -1.784 26.895 28.738 -0.099 0.000 1.162 724 Q HN 0.677 nan 8.270 nan 0.000 0.440 725 L N -0.369 120.746 121.223 -0.180 0.000 2.452 725 L HA 0.071 4.412 4.340 0.002 0.000 0.267 725 L C -0.865 175.938 176.870 -0.112 0.000 1.188 725 L CA -1.618 53.130 54.840 -0.153 0.000 0.821 725 L CB 0.074 42.028 42.059 -0.175 0.000 1.102 725 L HN -0.009 nan 8.230 nan 0.000 0.470 726 P HA -0.193 nan 4.420 nan 0.000 0.216 726 P C 1.499 178.762 177.300 -0.062 0.000 1.154 726 P CA 1.374 64.439 63.100 -0.057 0.000 0.865 726 P CB -0.062 31.619 31.700 -0.032 0.000 0.789 727 C N -1.276 117.977 119.300 -0.078 0.000 2.491 727 C HA 0.151 4.612 4.460 0.002 0.000 0.277 727 C C 2.513 177.431 174.990 -0.120 0.000 1.455 727 C CA -0.438 58.532 59.018 -0.081 0.000 1.758 727 C CB -1.936 25.752 27.740 -0.086 0.000 1.745 727 C HN 0.142 nan 8.230 nan 0.000 0.558 728 R N 1.652 122.073 120.500 -0.132 0.000 2.115 728 R HA -0.196 4.145 4.340 0.002 0.000 0.239 728 R C 1.744 177.966 176.300 -0.130 0.000 1.133 728 R CA 2.685 58.691 56.100 -0.158 0.000 0.935 728 R CB -0.586 29.625 30.300 -0.149 0.000 0.853 728 R HN 0.474 nan 8.270 nan 0.000 0.433 729 D N 0.031 120.381 120.400 -0.083 0.000 2.117 729 D HA -0.128 4.513 4.640 0.002 0.000 0.197 729 D C 1.760 178.053 176.300 -0.011 0.000 0.987 729 D CA 1.532 55.507 54.000 -0.042 0.000 0.829 729 D CB -0.350 40.435 40.800 -0.025 0.000 0.961 729 D HN 0.441 nan 8.370 nan 0.000 0.460 730 A N 0.812 123.619 122.820 -0.021 0.000 1.877 730 A HA -0.133 4.188 4.320 0.002 0.000 0.216 730 A C 2.400 179.981 177.584 -0.005 0.000 1.186 730 A CA 1.012 53.056 52.037 0.011 0.000 0.620 730 A CB -0.818 18.198 19.000 0.026 0.000 0.822 730 A HN 0.210 nan 8.150 nan 0.000 0.443 731 L N -1.115 120.022 121.223 -0.144 0.000 2.046 731 L HA -0.211 4.130 4.340 0.002 0.000 0.208 731 L C 2.837 179.612 176.870 -0.158 0.000 1.077 731 L CA 1.184 55.787 54.840 -0.395 0.000 0.747 731 L CB -0.669 40.883 42.059 -0.845 0.000 0.896 731 L HN 0.349 nan 8.230 nan 0.000 0.432 732 M N -0.509 119.067 119.600 -0.040 0.000 2.159 732 M HA -0.215 4.266 4.480 0.002 0.000 0.263 732 M C 2.294 178.863 176.300 0.448 0.000 1.063 732 M CA 1.640 57.076 55.300 0.226 0.000 1.110 732 M CB -0.940 31.691 32.600 0.052 0.000 1.374 732 M HN 0.231 nan 8.290 nan 0.000 0.411 733 Q N 0.699 120.650 119.800 0.251 0.000 2.079 733 Q HA -0.148 4.193 4.340 0.002 0.000 0.200 733 Q C 1.837 177.956 176.000 0.198 0.000 0.974 733 Q CA 1.841 57.776 55.803 0.220 0.000 0.840 733 Q CB -0.240 28.579 28.738 0.135 0.000 0.898 733 Q HN 0.564 nan 8.270 nan 0.000 0.430 734 E N -1.346 118.984 120.200 0.216 0.000 2.085 734 E HA -0.243 4.108 4.350 0.002 0.000 0.194 734 E C 1.777 178.558 176.600 0.303 0.000 0.994 734 E CA 1.209 57.758 56.400 0.248 0.000 0.801 734 E CB -0.298 29.613 29.700 0.351 0.000 0.743 734 E HN 0.577 nan 8.360 nan 0.000 0.453 735 Y N 1.214 121.693 120.300 0.299 0.000 2.145 735 Y HA -0.252 4.299 4.550 0.002 0.000 0.286 735 Y C 2.219 178.171 175.900 0.085 0.000 1.145 735 Y CA 1.959 60.273 58.100 0.357 0.000 1.148 735 Y CB -0.120 38.633 38.460 0.488 0.000 0.981 735 Y HN 0.124 nan 8.280 nan 0.000 0.507 736 D N 0.260 120.718 120.400 0.097 0.000 2.106 736 D HA -0.220 4.421 4.640 0.002 0.000 0.191 736 D C 1.622 177.923 176.300 0.002 0.000 0.997 736 D CA 1.982 55.845 54.000 -0.229 0.000 0.834 736 D CB -0.391 40.217 40.800 -0.321 0.000 0.956 736 D HN 0.387 nan 8.370 nan 0.000 0.448 737 D N -0.147 120.272 120.400 0.031 0.000 2.149 737 D HA -0.154 4.487 4.640 0.002 0.000 0.198 737 D C 1.950 178.273 176.300 0.038 0.000 0.990 737 D CA 0.851 54.875 54.000 0.040 0.000 0.839 737 D CB -0.189 40.617 40.800 0.011 0.000 0.948 737 D HN 0.361 nan 8.370 nan 0.000 0.460 738 K N -1.046 119.277 120.400 -0.129 0.000 2.116 738 K HA -0.078 4.243 4.320 0.002 0.000 0.203 738 K C 1.240 177.471 176.600 -0.614 0.000 1.052 738 K CA 0.731 56.731 56.287 -0.478 0.000 0.952 738 K CB 0.078 32.123 32.500 -0.758 0.000 0.729 738 K HN 0.163 nan 8.250 nan 0.000 0.446 739 W N -0.087 121.092 121.300 -0.202 0.000 2.870 739 W HA 0.125 4.786 4.660 0.002 0.000 0.358 739 W C 1.304 177.684 176.519 -0.231 0.000 1.043 739 W CA -0.175 56.999 57.345 -0.285 0.000 1.692 739 W CB 0.311 29.488 29.460 -0.472 0.000 1.100 739 W HN 0.301 nan 8.180 nan 0.000 0.557 740 H N -0.596 118.481 119.070 0.012 0.000 2.460 740 H HA -0.163 4.394 4.556 0.002 0.000 0.297 740 H C 1.462 176.826 175.328 0.060 0.000 1.103 740 H CA 1.802 57.855 56.048 0.009 0.000 1.292 740 H CB -0.420 29.330 29.762 -0.019 0.000 1.376 740 H HN 0.223 nan 8.280 nan 0.000 0.531 741 Q N 0.048 119.599 119.800 -0.414 0.000 2.444 741 Q HA 0.049 4.391 4.340 0.002 0.000 0.206 741 Q C 0.039 176.015 176.000 -0.039 0.000 0.948 741 Q CA -0.011 55.664 55.803 -0.212 0.000 0.946 741 Q CB 0.352 28.905 28.738 -0.310 0.000 1.027 741 Q HN 0.391 nan 8.270 nan 0.000 0.513 742 N N -0.017 118.697 118.700 0.024 0.000 2.564 742 N HA 0.114 4.855 4.740 0.002 0.000 0.248 742 N C 0.421 175.958 175.510 0.044 0.000 0.986 742 N CA -0.052 53.030 53.050 0.052 0.000 0.921 742 N CB 1.402 39.959 38.487 0.117 0.000 1.136 742 N HN 0.132 nan 8.380 nan 0.000 0.509 743 G N 3.041 111.866 108.800 0.042 0.000 2.440 743 G HA2 -0.185 3.776 3.960 0.002 0.000 0.218 743 G HA3 -0.185 3.776 3.960 0.002 0.000 0.218 743 G C 1.457 176.386 174.900 0.049 0.000 1.154 743 G CA 0.582 45.722 45.100 0.068 0.000 0.767 743 G HN 0.575 nan 8.290 nan 0.000 0.552 744 L N 0.162 121.375 121.223 -0.017 0.000 2.083 744 L HA -0.075 4.266 4.340 0.002 0.000 0.209 744 L C 2.969 179.805 176.870 -0.057 0.000 1.083 744 L CA 0.440 55.252 54.840 -0.048 0.000 0.752 744 L CB -0.403 41.601 42.059 -0.092 0.000 0.899 744 L HN 0.104 nan 8.230 nan 0.000 0.433 745 V N -0.739 119.108 119.914 -0.113 0.000 2.453 745 V HA -0.243 3.878 4.120 0.002 0.000 0.247 745 V C 2.502 178.620 176.094 0.040 0.000 1.048 745 V CA 1.276 63.459 62.300 -0.194 0.000 1.049 745 V CB -0.348 31.122 31.823 -0.587 0.000 0.672 745 V HN 0.371 nan 8.190 nan 0.000 0.457 746 M N -0.477 119.165 119.600 0.070 0.000 2.296 746 M HA -0.109 4.372 4.480 0.002 0.000 0.265 746 M C 1.861 178.238 176.300 0.129 0.000 1.064 746 M CA 1.180 56.519 55.300 0.064 0.000 1.109 746 M CB -1.271 31.301 32.600 -0.046 0.000 1.396 746 M HN 0.342 nan 8.290 nan 0.000 0.430 747 D N 0.973 121.510 120.400 0.228 0.000 2.158 747 D HA -0.165 4.476 4.640 0.002 0.000 0.197 747 D C 1.934 178.358 176.300 0.205 0.000 0.995 747 D CA 1.227 55.403 54.000 0.294 0.000 0.846 747 D CB -0.103 40.789 40.800 0.154 0.000 0.941 747 D HN 0.414 nan 8.370 nan 0.000 0.456 748 K N -0.629 119.845 120.400 0.124 0.000 2.097 748 K HA -0.152 4.169 4.320 0.002 0.000 0.206 748 K C 2.081 178.688 176.600 0.011 0.000 1.049 748 K CA 0.822 57.145 56.287 0.061 0.000 0.933 748 K CB -0.177 32.356 32.500 0.055 0.000 0.717 748 K HN 0.228 nan 8.250 nan 0.000 0.442 749 W N 0.796 121.943 121.300 -0.256 0.000 2.409 749 W HA -0.117 4.544 4.660 0.002 0.000 0.299 749 W C 1.511 177.871 176.519 -0.266 0.000 1.203 749 W CA 1.132 58.224 57.345 -0.420 0.000 1.298 749 W CB -0.126 29.032 29.460 -0.503 0.000 1.127 749 W HN -0.112 nan 8.180 nan 0.000 0.528 750 F N 0.521 120.597 119.950 0.209 0.000 2.126 750 F HA -0.199 4.329 4.527 0.002 0.000 0.299 750 F C 2.216 177.983 175.800 -0.055 0.000 1.096 750 F CA 1.546 59.581 58.000 0.058 0.000 1.255 750 F CB -1.306 37.793 39.000 0.166 0.000 0.997 750 F HN -0.159 nan 8.300 nan 0.000 0.479 751 I N -0.439 120.224 120.570 0.155 0.000 2.208 751 I HA -0.321 3.850 4.170 0.002 0.000 0.245 751 I C 2.343 178.437 176.117 -0.038 0.000 1.097 751 I CA 1.225 62.559 61.300 0.056 0.000 1.363 751 I CB -0.549 37.479 38.000 0.046 0.000 1.051 751 I HN 0.102 nan 8.210 nan 0.000 0.413 752 L N -0.123 121.023 121.223 -0.129 0.000 2.046 752 L HA -0.228 4.113 4.340 0.002 0.000 0.208 752 L C 2.768 179.488 176.870 -0.250 0.000 1.077 752 L CA 1.194 55.910 54.840 -0.207 0.000 0.747 752 L CB -0.692 41.186 42.059 -0.303 0.000 0.896 752 L HN 0.344 nan 8.230 nan 0.000 0.432 753 Q N -0.089 119.503 119.800 -0.346 0.000 2.050 753 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 753 Q C 2.422 178.341 176.000 -0.134 0.000 0.980 753 Q CA 1.810 57.414 55.803 -0.331 0.000 0.840 753 Q CB -0.341 28.132 28.738 -0.441 0.000 0.898 753 Q HN 0.542 nan 8.270 nan 0.000 0.424 754 A N 0.986 123.783 122.820 -0.039 0.000 2.015 754 A HA -0.099 4.222 4.320 0.002 0.000 0.219 754 A C 2.017 179.662 177.584 0.100 0.000 1.163 754 A CA 1.822 53.913 52.037 0.089 0.000 0.646 754 A CB -0.421 18.658 19.000 0.132 0.000 0.806 754 A HN 0.480 nan 8.150 nan 0.000 0.448 755 T N -2.929 111.630 114.554 0.008 0.000 3.145 755 T HA 0.295 4.646 4.350 0.002 0.000 0.255 755 T C 0.627 175.308 174.700 -0.030 0.000 1.039 755 T CA 0.454 62.546 62.100 -0.014 0.000 0.928 755 T CB -0.388 68.466 68.868 -0.024 0.000 1.029 755 T HN 0.239 nan 8.240 nan 0.000 0.554 756 S N 3.205 118.879 115.700 -0.043 0.000 2.560 756 S HA 0.209 4.680 4.470 0.002 0.000 0.284 756 S C -1.117 173.466 174.600 -0.028 0.000 1.327 756 S CA -1.150 57.014 58.200 -0.059 0.000 1.055 756 S CB 0.866 64.009 63.200 -0.096 0.000 0.868 756 S HN 0.240 nan 8.310 nan 0.000 0.506 757 P HA 0.166 nan 4.420 nan 0.000 0.245 757 P C 0.149 177.442 177.300 -0.012 0.000 1.212 757 P CA 0.076 63.173 63.100 -0.005 0.000 0.774 757 P CB -0.321 31.391 31.700 0.021 0.000 0.999 758 A N 0.669 123.471 122.820 -0.030 0.000 2.531 758 A HA 0.338 4.659 4.320 0.002 0.000 0.236 758 A C 1.845 179.415 177.584 -0.024 0.000 1.062 758 A CA 0.437 52.453 52.037 -0.035 0.000 0.760 758 A CB 0.007 18.973 19.000 -0.056 0.000 0.995 758 A HN 0.189 nan 8.150 nan 0.000 0.501 759 A N 2.201 125.007 122.820 -0.023 0.000 1.978 759 A HA -0.168 4.153 4.320 0.002 0.000 0.220 759 A C 1.509 179.076 177.584 -0.028 0.000 1.170 759 A CA 1.805 53.830 52.037 -0.020 0.000 0.636 759 A CB -0.564 18.424 19.000 -0.019 0.000 0.810 759 A HN 1.052 nan 8.150 nan 0.000 0.448 760 N N 0.185 118.860 118.700 -0.040 0.000 2.295 760 N HA 0.034 4.775 4.740 0.002 0.000 0.221 760 N C 0.927 176.392 175.510 -0.075 0.000 1.129 760 N CA 0.580 53.596 53.050 -0.057 0.000 0.836 760 N CB -0.273 38.179 38.487 -0.058 0.000 1.040 760 N HN 0.176 nan 8.380 nan 0.000 0.494 761 V N 0.447 120.332 119.914 -0.050 0.000 2.282 761 V HA -0.229 3.892 4.120 0.002 0.000 0.249 761 V C 2.077 178.090 176.094 -0.136 0.000 1.057 761 V CA 1.490 63.760 62.300 -0.049 0.000 1.032 761 V CB -0.427 31.420 31.823 0.040 0.000 0.645 761 V HN 0.357 nan 8.190 nan 0.000 0.447 762 L N 0.655 121.788 121.223 -0.150 0.000 2.046 762 L HA -0.161 4.180 4.340 0.002 0.000 0.208 762 L C 2.468 179.073 176.870 -0.442 0.000 1.077 762 L CA 2.716 57.293 54.840 -0.440 0.000 0.747 762 L CB -1.063 40.795 42.059 -0.334 0.000 0.896 762 L HN 0.623 nan 8.230 nan 0.000 0.432 763 E N -1.310 118.737 120.200 -0.256 0.000 2.085 763 E HA -0.246 4.105 4.350 0.002 0.000 0.194 763 E C 1.824 178.304 176.600 -0.200 0.000 0.994 763 E CA 1.998 58.278 56.400 -0.201 0.000 0.801 763 E CB -0.100 29.526 29.700 -0.124 0.000 0.743 763 E HN 0.580 nan 8.360 nan 0.000 0.453 764 T N 0.350 114.792 114.554 -0.186 0.000 2.737 764 T HA -0.117 4.234 4.350 0.002 0.000 0.265 764 T C 1.950 176.530 174.700 -0.200 0.000 1.038 764 T CA 1.279 63.287 62.100 -0.154 0.000 1.144 764 T CB -0.238 68.546 68.868 -0.140 0.000 0.866 764 T HN 0.030 nan 8.240 nan 0.000 0.434 765 V N 1.523 121.246 119.914 -0.318 0.000 2.287 765 V HA -0.211 3.910 4.120 0.002 0.000 0.248 765 V C 2.651 178.491 176.094 -0.424 0.000 1.053 765 V CA 1.868 63.920 62.300 -0.412 0.000 1.027 765 V CB -0.610 30.809 31.823 -0.674 0.000 0.646 765 V HN 0.365 nan 8.190 nan 0.000 0.447 766 R N 0.109 120.305 120.500 -0.506 0.000 2.091 766 R HA -0.160 4.181 4.340 0.002 0.000 0.238 766 R C 2.343 178.555 176.300 -0.146 0.000 1.136 766 R CA 1.837 57.748 56.100 -0.316 0.000 0.959 766 R CB -0.765 29.358 30.300 -0.296 0.000 0.856 766 R HN 0.561 nan 8.270 nan 0.000 0.437 767 G N 0.704 109.430 108.800 -0.122 0.000 2.432 767 G HA2 -0.207 3.754 3.960 0.002 0.000 0.219 767 G HA3 -0.207 3.754 3.960 0.002 0.000 0.219 767 G C 1.391 176.301 174.900 0.017 0.000 1.135 767 G CA 0.446 45.526 45.100 -0.034 0.000 0.767 767 G HN 0.263 nan 8.290 nan 0.000 0.550 768 L N 0.244 121.459 121.223 -0.013 0.000 2.456 768 L HA 0.114 4.455 4.340 0.002 0.000 0.224 768 L C 2.492 179.293 176.870 -0.114 0.000 1.148 768 L CA -0.045 54.840 54.840 0.077 0.000 0.825 768 L CB -0.210 41.910 42.059 0.100 0.000 0.937 768 L HN 0.198 nan 8.230 nan 0.000 0.450 769 L N -0.525 120.553 121.223 -0.242 0.000 2.265 769 L HA -0.188 4.153 4.340 0.002 0.000 0.215 769 L C 1.991 178.925 176.870 0.107 0.000 1.117 769 L CA 0.751 55.426 54.840 -0.275 0.000 0.782 769 L CB -0.325 41.667 42.059 -0.111 0.000 0.914 769 L HN 0.396 nan 8.230 nan 0.000 0.441 770 Q N -1.764 118.112 119.800 0.126 0.000 2.282 770 Q HA 0.102 4.443 4.340 0.002 0.000 0.206 770 Q C 0.451 176.585 176.000 0.223 0.000 0.878 770 Q CA 0.084 55.988 55.803 0.168 0.000 0.944 770 Q CB -0.153 28.647 28.738 0.102 0.000 1.100 770 Q HN 0.422 nan 8.270 nan 0.000 0.509 771 H N 2.241 121.450 119.070 0.232 0.000 2.815 771 H HA 0.012 4.569 4.556 0.002 0.000 0.350 771 H C 1.301 176.806 175.328 0.294 0.000 1.080 771 H CA 0.557 56.782 56.048 0.296 0.000 1.433 771 H CB 0.868 30.924 29.762 0.490 0.000 1.432 771 H HN 0.173 nan 8.280 nan 0.000 0.592 772 R N 1.816 122.212 120.500 -0.174 0.000 2.159 772 R HA -0.082 4.259 4.340 0.002 0.000 0.237 772 R C 1.164 177.630 176.300 0.278 0.000 1.131 772 R CA 1.726 57.833 56.100 0.013 0.000 0.982 772 R CB -0.078 30.136 30.300 -0.144 0.000 0.868 772 R HN 0.236 nan 8.270 nan 0.000 0.453 773 S N -0.324 115.762 115.700 0.644 0.000 2.556 773 S HA 0.142 4.613 4.470 0.002 0.000 0.216 773 S C -0.277 174.716 174.600 0.655 0.000 0.970 773 S CA -0.459 58.109 58.200 0.614 0.000 0.912 773 S CB 0.021 63.556 63.200 0.559 0.000 0.790 773 S HN 0.267 nan 8.310 nan 0.000 0.504 774 F N 2.264 122.498 119.950 0.473 0.000 2.422 774 F HA 0.614 5.142 4.527 0.002 0.000 0.333 774 F C 0.057 175.911 175.800 0.090 0.000 1.095 774 F CA -0.106 57.965 58.000 0.118 0.000 1.038 774 F CB 1.588 40.545 39.000 -0.071 0.000 1.156 774 F HN -0.153 nan 8.300 nan 0.000 0.483 775 T N 6.690 120.660 114.554 -0.974 0.000 3.041 775 T HA 0.232 4.583 4.350 0.002 0.000 0.321 775 T C 0.498 174.680 174.700 -0.863 0.000 1.184 775 T CA -0.766 60.956 62.100 -0.629 0.000 1.050 775 T CB 1.052 69.814 68.868 -0.177 0.000 1.159 775 T HN 0.648 nan 8.240 nan 0.000 0.469 776 M N 2.819 122.171 119.600 -0.414 0.000 2.549 776 M HA 0.026 4.507 4.480 0.002 0.000 0.260 776 M C 2.199 178.432 176.300 -0.112 0.000 1.076 776 M CA 0.990 56.173 55.300 -0.195 0.000 1.090 776 M CB -1.151 31.456 32.600 0.012 0.000 1.418 776 M HN 0.796 nan 8.290 nan 0.000 0.486 777 S N -0.644 115.017 115.700 -0.065 0.000 2.562 777 S HA 0.017 4.488 4.470 0.002 0.000 0.221 777 S C 0.738 175.469 174.600 0.218 0.000 0.975 777 S CA -0.151 58.092 58.200 0.071 0.000 0.918 777 S CB -0.156 63.111 63.200 0.112 0.000 0.772 777 S HN 0.467 nan 8.310 nan 0.000 0.531 778 N N 1.595 120.306 118.700 0.019 0.000 2.479 778 N HA 0.344 5.085 4.740 0.002 0.000 0.261 778 N C -2.597 172.824 175.510 -0.148 0.000 0.979 778 N CA -1.944 51.046 53.050 -0.101 0.000 0.930 778 N CB 2.089 40.358 38.487 -0.363 0.000 1.172 778 N HN -0.123 nan 8.380 nan 0.000 0.499 779 P HA -0.105 nan 4.420 nan 0.000 0.216 779 P C 0.826 178.078 177.300 -0.080 0.000 1.153 779 P CA 1.215 64.270 63.100 -0.074 0.000 0.858 779 P CB 0.448 32.115 31.700 -0.056 0.000 0.789 780 N N -1.037 117.599 118.700 -0.107 0.000 2.120 780 N HA -0.118 4.623 4.740 0.002 0.000 0.188 780 N C 1.712 177.196 175.510 -0.044 0.000 1.024 780 N CA 1.082 54.086 53.050 -0.077 0.000 0.852 780 N CB -0.560 37.866 38.487 -0.101 0.000 1.003 780 N HN 0.072 nan 8.380 nan 0.000 0.424 781 R N 0.943 121.381 120.500 -0.104 0.000 2.081 781 R HA 0.038 4.379 4.340 0.002 0.000 0.235 781 R C 2.362 178.672 176.300 0.017 0.000 1.131 781 R CA 0.558 56.597 56.100 -0.102 0.000 0.960 781 R CB -1.078 28.983 30.300 -0.398 0.000 0.856 781 R HN 0.352 nan 8.270 nan 0.000 0.436 782 I N 0.724 121.272 120.570 -0.036 0.000 2.163 782 I HA -0.288 3.883 4.170 0.002 0.000 0.243 782 I C 2.535 178.709 176.117 0.094 0.000 1.085 782 I CA 1.489 62.853 61.300 0.108 0.000 1.347 782 I CB -0.260 37.750 38.000 0.016 0.000 1.044 782 I HN 0.119 nan 8.210 nan 0.000 0.408 783 R N 0.502 121.024 120.500 0.037 0.000 2.092 783 R HA -0.122 4.219 4.340 0.002 0.000 0.231 783 R C 2.514 178.850 176.300 0.059 0.000 1.119 783 R CA 1.744 57.863 56.100 0.031 0.000 0.970 783 R CB -0.395 29.908 30.300 0.004 0.000 0.864 783 R HN 0.476 nan 8.270 nan 0.000 0.440 784 S N 0.142 115.894 115.700 0.086 0.000 2.436 784 S HA -0.049 4.422 4.470 0.002 0.000 0.228 784 S C 1.771 176.463 174.600 0.153 0.000 1.014 784 S CA 0.519 58.800 58.200 0.135 0.000 0.950 784 S CB 0.027 63.356 63.200 0.215 0.000 0.784 784 S HN 0.181 nan 8.310 nan 0.000 0.504 785 L N 0.728 122.007 121.223 0.092 0.000 2.379 785 L HA 0.511 4.852 4.340 0.002 0.000 0.190 785 L C 2.079 178.994 176.870 0.075 0.000 1.111 785 L CA 1.021 55.870 54.840 0.014 0.000 0.820 785 L CB -0.481 41.397 42.059 -0.303 0.000 1.046 785 L HN 0.242 nan 8.230 nan 0.000 0.485 786 I N -0.324 120.303 120.570 0.095 0.000 2.277 786 I HA -0.058 4.113 4.170 0.002 0.000 0.243 786 I C 2.419 178.628 176.117 0.152 0.000 1.094 786 I CA 1.153 62.551 61.300 0.163 0.000 1.393 786 I CB -1.036 37.015 38.000 0.085 0.000 1.078 786 I HN 0.392 nan 8.210 nan 0.000 0.417 787 G N 0.703 109.549 108.800 0.076 0.000 2.440 787 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 787 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 787 G C 1.859 176.770 174.900 0.018 0.000 1.154 787 G CA 0.891 46.004 45.100 0.022 0.000 0.767 787 G HN 0.477 nan 8.290 nan 0.000 0.552 788 A N 0.234 123.090 122.820 0.059 0.000 1.930 788 A HA 0.104 4.425 4.320 0.002 0.000 0.217 788 A C 2.142 179.758 177.584 0.054 0.000 1.175 788 A CA 1.512 53.577 52.037 0.046 0.000 0.627 788 A CB -0.503 18.537 19.000 0.066 0.000 0.815 788 A HN 0.405 nan 8.150 nan 0.000 0.443 789 F N 1.031 120.969 119.950 -0.020 0.000 2.075 789 F HA -0.085 4.443 4.527 0.002 0.000 0.297 789 F C 2.508 178.271 175.800 -0.061 0.000 1.113 789 F CA 1.571 59.563 58.000 -0.012 0.000 1.218 789 F CB -0.495 38.528 39.000 0.039 0.000 0.984 789 F HN 0.232 nan 8.300 nan 0.000 0.472 790 A N -0.195 122.549 122.820 -0.127 0.000 1.930 790 A HA 0.055 4.376 4.320 0.002 0.000 0.217 790 A C 2.361 179.545 177.584 -0.666 0.000 1.175 790 A CA 1.560 53.181 52.037 -0.692 0.000 0.627 790 A CB -1.629 16.983 19.000 -0.646 0.000 0.815 790 A HN 0.533 nan 8.150 nan 0.000 0.443 791 G N -1.973 106.636 108.800 -0.317 0.000 2.545 791 G HA2 0.160 4.121 3.960 0.002 0.000 0.212 791 G HA3 0.160 4.121 3.960 0.002 0.000 0.212 791 G C 1.361 176.199 174.900 -0.102 0.000 1.144 791 G CA 1.054 46.042 45.100 -0.188 0.000 0.813 791 G HN 0.466 nan 8.290 nan 0.000 0.531 792 S N -0.047 115.595 115.700 -0.098 0.000 2.559 792 S HA 0.171 4.642 4.470 0.002 0.000 0.226 792 S C 0.640 175.198 174.600 -0.070 0.000 1.000 792 S CA -0.403 57.765 58.200 -0.054 0.000 0.948 792 S CB 0.304 63.487 63.200 -0.028 0.000 0.870 792 S HN 0.256 nan 8.310 nan 0.000 0.497 793 N N 2.209 120.821 118.700 -0.146 0.000 2.818 793 N HA 0.261 5.002 4.740 0.002 0.000 0.301 793 N C -2.242 173.169 175.510 -0.166 0.000 1.821 793 N CA -2.060 50.887 53.050 -0.172 0.000 0.930 793 N CB 0.832 39.168 38.487 -0.253 0.000 1.263 793 N HN 0.052 nan 8.380 nan 0.000 0.487 794 P HA -0.109 nan 4.420 nan 0.000 0.219 794 P C 1.098 178.500 177.300 0.170 0.000 1.146 794 P CA 0.828 64.039 63.100 0.185 0.000 0.808 794 P CB 0.325 32.200 31.700 0.292 0.000 0.779 795 A N 0.463 123.313 122.820 0.050 0.000 1.902 795 A HA -0.073 4.248 4.320 0.002 0.000 0.217 795 A C 2.438 180.006 177.584 -0.026 0.000 1.181 795 A CA 2.279 54.328 52.037 0.021 0.000 0.623 795 A CB -1.406 17.587 19.000 -0.011 0.000 0.818 795 A HN 0.260 nan 8.150 nan 0.000 0.443 796 A N -1.612 121.147 122.820 -0.101 0.000 1.903 796 A HA 0.163 4.484 4.320 0.002 0.000 0.213 796 A C 1.973 179.420 177.584 -0.227 0.000 1.185 796 A CA 1.199 53.161 52.037 -0.124 0.000 0.628 796 A CB -0.654 18.302 19.000 -0.074 0.000 0.830 796 A HN 0.609 nan 8.150 nan 0.000 0.446 797 F N 0.863 120.432 119.950 -0.636 0.000 2.126 797 F HA -0.190 4.338 4.527 0.002 0.000 0.299 797 F C 1.751 177.211 175.800 -0.567 0.000 1.096 797 F CA 1.787 59.404 58.000 -0.638 0.000 1.255 797 F CB -0.222 38.380 39.000 -0.664 0.000 0.997 797 F HN 0.372 nan 8.300 nan 0.000 0.479 798 H N 0.463 119.317 119.070 -0.361 0.000 2.568 798 H HA 0.432 4.989 4.556 0.002 0.000 0.302 798 H C 0.731 175.872 175.328 -0.313 0.000 1.065 798 H CA 0.228 56.034 56.048 -0.403 0.000 1.140 798 H CB -0.968 28.704 29.762 -0.150 0.000 1.474 798 H HN 0.195 nan 8.280 nan 0.000 0.545 799 A N 1.103 123.765 122.820 -0.264 0.000 2.587 799 A HA -0.081 4.240 4.320 0.002 0.000 0.235 799 A C 1.410 178.890 177.584 -0.174 0.000 1.044 799 A CA 0.043 51.979 52.037 -0.168 0.000 0.754 799 A CB 0.359 19.268 19.000 -0.151 0.000 0.968 799 A HN 0.491 nan 8.150 nan 0.000 0.509 800 E N 1.095 121.250 120.200 -0.075 0.000 2.265 800 E HA -0.198 4.153 4.350 0.002 0.000 0.196 800 E C 0.721 177.294 176.600 -0.045 0.000 0.996 800 E CA 1.231 57.610 56.400 -0.035 0.000 0.832 800 E CB -0.027 29.672 29.700 -0.003 0.000 0.756 800 E HN 0.928 nan 8.360 nan 0.000 0.491 801 D N -0.288 120.069 120.400 -0.072 0.000 2.363 801 D HA -0.038 4.603 4.640 0.002 0.000 0.226 801 D C 1.358 177.608 176.300 -0.083 0.000 1.020 801 D CA 0.859 54.823 54.000 -0.059 0.000 0.892 801 D CB -0.147 40.622 40.800 -0.051 0.000 0.900 801 D HN 0.189 nan 8.370 nan 0.000 0.531 802 G N 0.247 108.936 108.800 -0.185 0.000 2.162 802 G HA2 -0.390 3.571 3.960 0.002 0.000 0.260 802 G HA3 -0.390 3.571 3.960 0.002 0.000 0.260 802 G C 1.232 175.962 174.900 -0.284 0.000 0.976 802 G CA 1.140 46.083 45.100 -0.262 0.000 0.655 802 G HN 0.672 nan 8.290 nan 0.000 0.533 803 S N -0.340 115.228 115.700 -0.219 0.000 2.399 803 S HA 0.066 4.537 4.470 0.002 0.000 0.231 803 S C 2.507 177.059 174.600 -0.080 0.000 1.022 803 S CA 1.665 59.798 58.200 -0.111 0.000 0.983 803 S CB -0.768 62.383 63.200 -0.081 0.000 0.803 803 S HN 1.570 nan 8.310 nan 0.000 0.480 804 G N 0.685 109.341 108.800 -0.239 0.000 2.418 804 G HA2 -0.130 3.831 3.960 0.002 0.000 0.217 804 G HA3 -0.130 3.831 3.960 0.002 0.000 0.217 804 G C 1.207 176.113 174.900 0.009 0.000 1.158 804 G CA 0.984 46.057 45.100 -0.045 0.000 0.771 804 G HN 0.613 nan 8.290 nan 0.000 0.545 805 Y N 0.746 120.930 120.300 -0.193 0.000 2.200 805 Y HA 0.080 4.631 4.550 0.002 0.000 0.290 805 Y C 2.755 178.690 175.900 0.058 0.000 1.137 805 Y CA 0.189 58.226 58.100 -0.105 0.000 1.163 805 Y CB -0.933 37.412 38.460 -0.191 0.000 0.988 805 Y HN 0.078 nan 8.280 nan 0.000 0.518 806 L N -1.589 119.737 121.223 0.171 0.000 2.046 806 L HA -0.211 4.130 4.340 0.002 0.000 0.208 806 L C 2.349 179.314 176.870 0.158 0.000 1.077 806 L CA 1.424 56.346 54.840 0.136 0.000 0.747 806 L CB -0.713 41.401 42.059 0.091 0.000 0.896 806 L HN 0.172 nan 8.230 nan 0.000 0.432 807 F N 0.803 120.782 119.950 0.048 0.000 2.102 807 F HA -0.259 4.269 4.527 0.002 0.000 0.298 807 F C 2.237 178.084 175.800 0.078 0.000 1.105 807 F CA 1.530 59.545 58.000 0.025 0.000 1.239 807 F CB -0.311 38.665 39.000 -0.039 0.000 0.991 807 F HN -0.089 nan 8.300 nan 0.000 0.474 808 L N -0.020 121.246 121.223 0.071 0.000 2.046 808 L HA -0.141 4.200 4.340 0.002 0.000 0.208 808 L C 2.286 179.121 176.870 -0.058 0.000 1.077 808 L CA 1.518 56.347 54.840 -0.018 0.000 0.747 808 L CB -0.956 41.285 42.059 0.302 0.000 0.896 808 L HN 0.081 nan 8.230 nan 0.000 0.432 809 V N -0.234 119.696 119.914 0.025 0.000 2.332 809 V HA -0.336 3.785 4.120 0.002 0.000 0.248 809 V C 2.605 178.670 176.094 -0.048 0.000 1.055 809 V CA 2.121 64.424 62.300 0.006 0.000 1.038 809 V CB -0.671 31.177 31.823 0.042 0.000 0.651 809 V HN 0.593 nan 8.190 nan 0.000 0.450 810 E N -0.510 119.641 120.200 -0.081 0.000 2.077 810 E HA -0.242 4.109 4.350 0.002 0.000 0.193 810 E C 2.298 178.809 176.600 -0.149 0.000 0.989 810 E CA 1.488 57.831 56.400 -0.095 0.000 0.800 810 E CB -0.049 29.605 29.700 -0.077 0.000 0.746 810 E HN 0.398 nan 8.360 nan 0.000 0.452 811 M N 0.234 119.664 119.600 -0.282 0.000 2.132 811 M HA -0.114 4.367 4.480 0.002 0.000 0.263 811 M C 2.413 178.634 176.300 -0.132 0.000 1.065 811 M CA 1.106 56.252 55.300 -0.257 0.000 1.122 811 M CB -0.805 31.541 32.600 -0.423 0.000 1.365 811 M HN 0.202 nan 8.290 nan 0.000 0.411 812 L N -0.643 120.515 121.223 -0.108 0.000 2.217 812 L HA -0.134 4.207 4.340 0.002 0.000 0.211 812 L C 2.356 179.203 176.870 -0.037 0.000 1.107 812 L CA 0.862 55.668 54.840 -0.058 0.000 0.783 812 L CB -0.877 41.160 42.059 -0.036 0.000 0.919 812 L HN 0.300 nan 8.230 nan 0.000 0.442 813 T N -1.031 113.501 114.554 -0.037 0.000 2.788 813 T HA -0.217 4.134 4.350 0.002 0.000 0.268 813 T C 1.605 176.294 174.700 -0.019 0.000 1.044 813 T CA 1.600 63.688 62.100 -0.020 0.000 1.139 813 T CB -0.188 68.671 68.868 -0.015 0.000 0.867 813 T HN 0.399 nan 8.240 nan 0.000 0.454 814 D N 1.225 121.608 120.400 -0.027 0.000 2.077 814 D HA -0.048 4.593 4.640 0.002 0.000 0.196 814 D C 2.125 178.412 176.300 -0.021 0.000 0.986 814 D CA 0.998 54.987 54.000 -0.019 0.000 0.829 814 D CB -0.265 40.525 40.800 -0.017 0.000 0.983 814 D HN 0.316 nan 8.370 nan 0.000 0.453 815 L N 0.559 121.764 121.223 -0.030 0.000 2.201 815 L HA -0.130 4.211 4.340 0.002 0.000 0.212 815 L C 2.344 179.195 176.870 -0.031 0.000 1.105 815 L CA 0.830 55.650 54.840 -0.033 0.000 0.775 815 L CB -0.604 41.431 42.059 -0.040 0.000 0.913 815 L HN 0.114 nan 8.230 nan 0.000 0.440 816 N N -0.210 118.476 118.700 -0.023 0.000 2.137 816 N HA -0.198 4.543 4.740 0.002 0.000 0.190 816 N C 1.797 177.298 175.510 -0.014 0.000 1.017 816 N CA 1.932 54.973 53.050 -0.014 0.000 0.859 816 N CB 0.055 38.540 38.487 -0.002 0.000 1.002 816 N HN 0.120 nan 8.380 nan 0.000 0.428 817 S N -0.785 114.906 115.700 -0.014 0.000 2.421 817 S HA 0.087 4.558 4.470 0.002 0.000 0.224 817 S C 1.779 176.366 174.600 -0.022 0.000 1.035 817 S CA 0.167 58.359 58.200 -0.013 0.000 0.953 817 S CB -0.038 63.158 63.200 -0.007 0.000 0.810 817 S HN 0.364 nan 8.310 nan 0.000 0.497 818 R N 1.251 121.734 120.500 -0.028 0.000 2.062 818 R HA 0.103 4.444 4.340 0.002 0.000 0.226 818 R C -0.027 176.238 176.300 -0.058 0.000 1.125 818 R CA 1.076 57.154 56.100 -0.036 0.000 0.966 818 R CB 0.173 30.455 30.300 -0.030 0.000 0.861 818 R HN 0.207 nan 8.270 nan 0.000 0.433 819 N N -0.545 118.117 118.700 -0.063 0.000 2.751 819 N HA 0.153 4.894 4.740 0.002 0.000 0.238 819 N C -2.501 172.959 175.510 -0.082 0.000 1.351 819 N CA -1.363 51.633 53.050 -0.090 0.000 0.751 819 N CB 1.711 40.140 38.487 -0.096 0.000 1.342 819 N HN -0.102 nan 8.380 nan 0.000 0.540 820 P HA -0.117 nan 4.420 nan 0.000 0.218 820 P C 1.167 178.422 177.300 -0.074 0.000 1.148 820 P CA 1.269 64.334 63.100 -0.059 0.000 0.822 820 P CB 0.576 32.249 31.700 -0.045 0.000 0.784 821 Q N -0.772 118.963 119.800 -0.107 0.000 2.084 821 Q HA -0.100 4.241 4.340 0.002 0.000 0.202 821 Q C 2.071 178.007 176.000 -0.107 0.000 0.978 821 Q CA 1.322 57.052 55.803 -0.121 0.000 0.844 821 Q CB -0.644 27.988 28.738 -0.176 0.000 0.898 821 Q HN 0.118 nan 8.270 nan 0.000 0.426 822 V N 0.781 120.632 119.914 -0.105 0.000 2.427 822 V HA -0.239 3.882 4.120 0.002 0.000 0.248 822 V C 2.237 178.292 176.094 -0.065 0.000 1.051 822 V CA 1.604 63.853 62.300 -0.084 0.000 1.048 822 V CB -0.918 30.858 31.823 -0.079 0.000 0.666 822 V HN 0.374 nan 8.190 nan 0.000 0.456 823 A N -0.512 122.272 122.820 -0.060 0.000 1.908 823 A HA -0.266 4.055 4.320 0.002 0.000 0.218 823 A C 2.564 180.121 177.584 -0.046 0.000 1.181 823 A CA 2.380 54.388 52.037 -0.048 0.000 0.627 823 A CB -0.812 18.165 19.000 -0.039 0.000 0.818 823 A HN 0.484 nan 8.150 nan 0.000 0.445 824 S N -1.138 114.531 115.700 -0.051 0.000 2.402 824 S HA -0.140 4.331 4.470 0.002 0.000 0.229 824 S C 2.210 176.775 174.600 -0.057 0.000 1.021 824 S CA 0.977 59.147 58.200 -0.050 0.000 0.974 824 S CB -0.362 62.805 63.200 -0.054 0.000 0.800 824 S HN 0.527 nan 8.310 nan 0.000 0.484 825 R N 0.409 120.872 120.500 -0.063 0.000 2.081 825 R HA 0.024 4.365 4.340 0.002 0.000 0.235 825 R C 2.002 178.267 176.300 -0.058 0.000 1.131 825 R CA 0.962 57.025 56.100 -0.060 0.000 0.960 825 R CB -1.114 29.149 30.300 -0.062 0.000 0.856 825 R HN 0.379 nan 8.270 nan 0.000 0.436 826 L N 0.457 121.646 121.223 -0.057 0.000 2.313 826 L HA 0.037 4.378 4.340 0.002 0.000 0.214 826 L C 2.200 179.029 176.870 -0.069 0.000 1.119 826 L CA 0.894 55.695 54.840 -0.065 0.000 0.809 826 L CB -0.370 41.655 42.059 -0.056 0.000 0.933 826 L HN 0.100 nan 8.230 nan 0.000 0.449 827 I N -0.999 119.543 120.570 -0.047 0.000 2.928 827 I HA -0.184 3.987 4.170 0.002 0.000 0.266 827 I C 2.242 178.346 176.117 -0.022 0.000 1.234 827 I CA 0.384 61.669 61.300 -0.025 0.000 1.483 827 I CB 0.269 38.261 38.000 -0.014 0.000 1.097 827 I HN 0.247 nan 8.210 nan 0.000 0.455 828 E N 1.678 121.855 120.200 -0.037 0.000 2.086 828 E HA -0.225 4.126 4.350 0.002 0.000 0.200 828 E C -0.775 175.828 176.600 0.006 0.000 1.012 828 E CA 1.996 58.386 56.400 -0.017 0.000 0.812 828 E CB -0.989 28.698 29.700 -0.023 0.000 0.743 828 E HN 0.360 nan 8.360 nan 0.000 0.453 829 P HA -0.123 nan 4.420 nan 0.000 0.221 829 P C 1.076 178.473 177.300 0.161 0.000 1.145 829 P CA 0.750 63.839 63.100 -0.019 0.000 0.795 829 P CB 0.066 31.521 31.700 -0.408 0.000 0.775 830 L N -0.263 121.041 121.223 0.135 0.000 2.240 830 L HA 0.022 4.363 4.340 0.002 0.000 0.211 830 L C 1.858 178.776 176.870 0.081 0.000 1.106 830 L CA 1.206 56.139 54.840 0.154 0.000 0.793 830 L CB -1.028 41.108 42.059 0.128 0.000 0.927 830 L HN -0.044 nan 8.230 nan 0.000 0.446 831 I N -3.936 116.678 120.570 0.074 0.000 3.564 831 I HA 0.022 4.193 4.170 0.002 0.000 0.294 831 I C 1.259 177.436 176.117 0.099 0.000 1.289 831 I CA 0.402 61.738 61.300 0.060 0.000 1.325 831 I CB -0.330 37.690 38.000 0.034 0.000 1.039 831 I HN -0.012 nan 8.210 nan 0.000 0.474 832 R N 1.967 122.564 120.500 0.162 0.000 2.391 832 R HA 0.202 4.543 4.340 0.002 0.000 0.249 832 R C 2.019 178.505 176.300 0.309 0.000 0.957 832 R CA 0.242 56.483 56.100 0.236 0.000 1.093 832 R CB -0.536 29.965 30.300 0.335 0.000 1.156 832 R HN 0.630 nan 8.270 nan 0.000 0.526 833 L N -1.214 120.128 121.223 0.197 0.000 2.129 833 L HA -0.125 4.216 4.340 0.002 0.000 0.212 833 L C 1.479 178.475 176.870 0.211 0.000 1.087 833 L CA 1.580 56.527 54.840 0.178 0.000 0.757 833 L CB -0.517 41.560 42.059 0.029 0.000 0.896 833 L HN -0.066 nan 8.230 nan 0.000 0.434 834 K N -0.108 120.377 120.400 0.141 0.000 2.504 834 K HA 0.028 4.349 4.320 0.002 0.000 0.195 834 K C 1.700 178.335 176.600 0.059 0.000 1.036 834 K CA 0.273 56.613 56.287 0.088 0.000 0.984 834 K CB 0.033 32.569 32.500 0.061 0.000 0.788 834 K HN 0.315 nan 8.250 nan 0.000 0.488 835 R N -0.126 120.410 120.500 0.059 0.000 2.310 835 R HA 0.096 4.437 4.340 0.002 0.000 0.202 835 R C 0.089 176.141 176.300 -0.412 0.000 0.933 835 R CA 0.458 56.460 56.100 -0.163 0.000 1.054 835 R CB 0.029 30.184 30.300 -0.242 0.000 0.985 835 R HN 0.156 nan 8.270 nan 0.000 0.489 836 Y N 0.351 120.635 120.300 -0.027 0.000 2.602 836 Y HA 0.130 4.681 4.550 0.002 0.000 0.330 836 Y C 0.579 176.460 175.900 -0.032 0.000 1.114 836 Y CA -1.741 56.323 58.100 -0.060 0.000 1.182 836 Y CB 0.748 39.149 38.460 -0.098 0.000 1.305 836 Y HN 0.051 nan 8.280 nan 0.000 0.502 837 D N -0.129 120.347 120.400 0.127 0.000 2.362 837 D HA 0.246 4.887 4.640 0.002 0.000 0.238 837 D C 0.917 177.262 176.300 0.075 0.000 1.212 837 D CA 0.182 54.225 54.000 0.071 0.000 0.902 837 D CB 0.896 41.730 40.800 0.056 0.000 1.180 837 D HN 0.634 nan 8.370 nan 0.000 0.445 838 A N 0.919 123.769 122.820 0.049 0.000 1.908 838 A HA -0.281 4.040 4.320 0.002 0.000 0.218 838 A C 2.038 179.647 177.584 0.042 0.000 1.181 838 A CA 1.958 54.019 52.037 0.041 0.000 0.627 838 A CB -0.878 18.140 19.000 0.030 0.000 0.818 838 A HN 0.728 nan 8.150 nan 0.000 0.445 839 K N -0.562 119.866 120.400 0.047 0.000 2.057 839 K HA -0.147 4.174 4.320 0.002 0.000 0.207 839 K C 2.300 178.939 176.600 0.065 0.000 1.049 839 K CA 1.384 57.701 56.287 0.050 0.000 0.931 839 K CB -0.186 32.343 32.500 0.049 0.000 0.714 839 K HN 0.455 nan 8.250 nan 0.000 0.440 840 R N 0.326 120.878 120.500 0.086 0.000 2.075 840 R HA -0.092 4.249 4.340 0.002 0.000 0.232 840 R C 2.544 178.839 176.300 -0.008 0.000 1.126 840 R CA 1.484 57.646 56.100 0.104 0.000 0.963 840 R CB -0.175 30.212 30.300 0.146 0.000 0.858 840 R HN 0.368 nan 8.270 nan 0.000 0.435 841 Q N 0.408 120.221 119.800 0.021 0.000 2.112 841 Q HA -0.246 4.095 4.340 0.002 0.000 0.206 841 Q C 2.057 178.032 176.000 -0.041 0.000 0.987 841 Q CA 1.655 57.453 55.803 -0.008 0.000 0.858 841 Q CB -0.076 28.681 28.738 0.032 0.000 0.905 841 Q HN 0.418 nan 8.270 nan 0.000 0.420 842 E N 0.939 121.132 120.200 -0.012 0.000 2.058 842 E HA -0.217 4.134 4.350 0.002 0.000 0.194 842 E C 1.745 178.328 176.600 -0.028 0.000 0.997 842 E CA 1.212 57.606 56.400 -0.010 0.000 0.801 842 E CB 0.163 29.870 29.700 0.012 0.000 0.746 842 E HN 0.216 nan 8.360 nan 0.000 0.450 843 K N -0.257 120.127 120.400 -0.026 0.000 2.097 843 K HA -0.099 4.222 4.320 0.002 0.000 0.205 843 K C 2.249 178.742 176.600 -0.179 0.000 1.050 843 K CA 1.536 57.814 56.287 -0.014 0.000 0.938 843 K CB -0.106 32.486 32.500 0.154 0.000 0.718 843 K HN 0.232 nan 8.250 nan 0.000 0.442 844 M N 0.139 119.499 119.600 -0.399 0.000 2.132 844 M HA -0.123 4.358 4.480 0.002 0.000 0.263 844 M C 2.383 178.561 176.300 -0.202 0.000 1.065 844 M CA 1.383 56.384 55.300 -0.498 0.000 1.122 844 M CB -0.190 32.084 32.600 -0.543 0.000 1.365 844 M HN 0.064 nan 8.290 nan 0.000 0.411 845 R N 0.597 121.024 120.500 -0.122 0.000 2.081 845 R HA -0.136 4.205 4.340 0.002 0.000 0.235 845 R C 2.210 178.486 176.300 -0.040 0.000 1.131 845 R CA 1.710 57.775 56.100 -0.058 0.000 0.960 845 R CB -0.294 29.986 30.300 -0.033 0.000 0.856 845 R HN 0.370 nan 8.270 nan 0.000 0.436 846 A N 0.560 123.359 122.820 -0.035 0.000 1.908 846 A HA -0.148 4.173 4.320 0.002 0.000 0.218 846 A C 2.332 179.913 177.584 -0.005 0.000 1.181 846 A CA 1.791 53.822 52.037 -0.010 0.000 0.627 846 A CB -0.814 18.189 19.000 0.004 0.000 0.818 846 A HN 0.543 nan 8.150 nan 0.000 0.445 847 A N -0.315 122.494 122.820 -0.018 0.000 1.877 847 A HA -0.036 4.285 4.320 0.002 0.000 0.216 847 A C 2.175 179.761 177.584 0.002 0.000 1.186 847 A CA 1.498 53.538 52.037 0.005 0.000 0.620 847 A CB -0.624 18.380 19.000 0.007 0.000 0.822 847 A HN 0.470 nan 8.150 nan 0.000 0.443 848 L N -0.735 120.477 121.223 -0.018 0.000 2.046 848 L HA -0.218 4.123 4.340 0.002 0.000 0.208 848 L C 2.588 179.458 176.870 -0.001 0.000 1.077 848 L CA 1.692 56.527 54.840 -0.010 0.000 0.747 848 L CB -0.555 41.491 42.059 -0.021 0.000 0.896 848 L HN 0.473 nan 8.230 nan 0.000 0.432 849 E N -0.537 119.662 120.200 -0.000 0.000 2.106 849 E HA -0.284 4.067 4.350 0.002 0.000 0.192 849 E C 2.102 178.713 176.600 0.017 0.000 0.984 849 E CA 1.038 57.443 56.400 0.009 0.000 0.806 849 E CB -0.018 29.687 29.700 0.008 0.000 0.750 849 E HN 0.333 nan 8.360 nan 0.000 0.458 850 Q N 1.152 120.963 119.800 0.017 0.000 2.050 850 Q HA -0.146 4.195 4.340 0.002 0.000 0.202 850 Q C 1.965 177.979 176.000 0.023 0.000 0.980 850 Q CA 1.475 57.290 55.803 0.021 0.000 0.840 850 Q CB -0.247 28.505 28.738 0.023 0.000 0.898 850 Q HN 0.296 nan 8.270 nan 0.000 0.424 851 L N 0.216 121.452 121.223 0.022 0.000 2.093 851 L HA -0.129 4.212 4.340 0.002 0.000 0.208 851 L C 2.571 179.462 176.870 0.035 0.000 1.085 851 L CA 1.496 56.351 54.840 0.024 0.000 0.755 851 L CB -0.526 41.545 42.059 0.020 0.000 0.904 851 L HN 0.246 nan 8.230 nan 0.000 0.435 852 K N 0.517 120.938 120.400 0.035 0.000 2.211 852 K HA -0.145 4.176 4.320 0.002 0.000 0.204 852 K C 1.749 178.388 176.600 0.065 0.000 1.047 852 K CA 1.321 57.640 56.287 0.053 0.000 0.935 852 K CB -0.169 32.353 32.500 0.037 0.000 0.728 852 K HN 0.367 nan 8.250 nan 0.000 0.452 853 G N 0.790 109.618 108.800 0.046 0.000 2.985 853 G HA2 0.091 4.052 3.960 0.002 0.000 0.209 853 G HA3 0.091 4.052 3.960 0.002 0.000 0.209 853 G C 0.286 175.209 174.900 0.038 0.000 1.165 853 G CA -0.381 44.745 45.100 0.043 0.000 0.776 853 G HN 0.088 nan 8.290 nan 0.000 0.541 854 L N 1.114 122.361 121.223 0.039 0.000 2.490 854 L HA 0.107 4.448 4.340 0.002 0.000 0.274 854 L C 0.928 177.816 176.870 0.031 0.000 1.201 854 L CA -0.252 54.606 54.840 0.031 0.000 0.869 854 L CB 0.748 42.825 42.059 0.029 0.000 1.123 854 L HN 0.230 nan 8.230 nan 0.000 0.484 855 E N 3.642 123.856 120.200 0.023 0.000 2.414 855 E HA -0.077 4.274 4.350 0.002 0.000 0.263 855 E C -0.005 176.605 176.600 0.017 0.000 1.000 855 E CA 0.044 56.455 56.400 0.019 0.000 0.914 855 E CB 0.136 29.845 29.700 0.015 0.000 0.948 855 E HN 0.655 nan 8.360 nan 0.000 0.444 856 N N 1.802 120.511 118.700 0.015 0.000 2.738 856 N HA -0.247 4.494 4.740 0.002 0.000 0.249 856 N C -0.709 174.811 175.510 0.017 0.000 1.047 856 N CA 0.013 53.069 53.050 0.011 0.000 0.707 856 N CB -1.008 37.484 38.487 0.009 0.000 0.937 856 N HN 0.343 nan 8.380 nan 0.000 0.545 857 L N 1.303 122.542 121.223 0.028 0.000 2.513 857 L HA 0.119 4.460 4.340 0.002 0.000 0.272 857 L C 0.742 177.638 176.870 0.043 0.000 1.187 857 L CA 0.119 54.988 54.840 0.048 0.000 0.895 857 L CB 0.465 42.577 42.059 0.088 0.000 1.147 857 L HN 0.313 nan 8.230 nan 0.000 0.483 858 S N 2.904 118.630 115.700 0.044 0.000 2.579 858 S HA 0.287 4.758 4.470 0.002 0.000 0.275 858 S C 1.377 176.022 174.600 0.075 0.000 1.345 858 S CA -0.264 57.959 58.200 0.038 0.000 1.031 858 S CB 1.079 64.292 63.200 0.022 0.000 0.892 858 S HN 0.888 nan 8.310 nan 0.000 0.529 859 G N 1.415 110.249 108.800 0.057 0.000 2.442 859 G HA2 -0.206 3.755 3.960 0.002 0.000 0.219 859 G HA3 -0.206 3.755 3.960 0.002 0.000 0.219 859 G C 0.728 175.710 174.900 0.137 0.000 1.141 859 G CA 1.021 46.181 45.100 0.101 0.000 0.763 859 G HN 0.802 nan 8.290 nan 0.000 0.554 860 D N 0.490 120.934 120.400 0.073 0.000 2.106 860 D HA -0.124 4.517 4.640 0.002 0.000 0.191 860 D C 2.465 178.794 176.300 0.048 0.000 0.997 860 D CA 0.807 54.834 54.000 0.043 0.000 0.834 860 D CB -0.251 40.549 40.800 -0.000 0.000 0.956 860 D HN 0.319 nan 8.370 nan 0.000 0.448 861 L N -0.841 120.418 121.223 0.060 0.000 2.131 861 L HA -0.081 4.260 4.340 0.002 0.000 0.206 861 L C 2.259 179.174 176.870 0.075 0.000 1.087 861 L CA 0.572 55.441 54.840 0.048 0.000 0.767 861 L CB -0.425 41.659 42.059 0.041 0.000 0.917 861 L HN 0.110 nan 8.230 nan 0.000 0.441 862 Y N 1.486 121.793 120.300 0.012 0.000 2.114 862 Y HA -0.369 4.182 4.550 0.002 0.000 0.282 862 Y C 2.613 178.530 175.900 0.029 0.000 1.165 862 Y CA 2.278 60.391 58.100 0.022 0.000 1.148 862 Y CB -0.159 38.317 38.460 0.027 0.000 0.972 862 Y HN 0.229 nan 8.280 nan 0.000 0.504 863 E N 0.068 120.320 120.200 0.087 0.000 2.058 863 E HA -0.238 4.113 4.350 0.002 0.000 0.194 863 E C 2.076 178.631 176.600 -0.076 0.000 0.997 863 E CA 1.789 58.194 56.400 0.009 0.000 0.801 863 E CB -0.102 29.670 29.700 0.121 0.000 0.746 863 E HN 0.522 nan 8.360 nan 0.000 0.450 864 K N -0.004 120.364 120.400 -0.054 0.000 2.062 864 K HA -0.054 4.267 4.320 0.002 0.000 0.205 864 K C 2.258 178.816 176.600 -0.070 0.000 1.051 864 K CA 1.152 57.406 56.287 -0.056 0.000 0.941 864 K CB -0.060 32.413 32.500 -0.045 0.000 0.719 864 K HN 0.227 nan 8.250 nan 0.000 0.440 865 I N 0.717 121.233 120.570 -0.091 0.000 2.179 865 I HA -0.281 3.890 4.170 0.002 0.000 0.242 865 I C 2.684 178.721 176.117 -0.133 0.000 1.088 865 I CA 1.260 62.506 61.300 -0.089 0.000 1.357 865 I CB -0.405 37.554 38.000 -0.069 0.000 1.051 865 I HN 0.217 nan 8.210 nan 0.000 0.409 866 T N 0.587 114.985 114.554 -0.261 0.000 2.746 866 T HA -0.195 4.156 4.350 0.002 0.000 0.267 866 T C 1.911 176.536 174.700 -0.125 0.000 1.039 866 T CA 1.645 63.586 62.100 -0.265 0.000 1.142 866 T CB -0.045 68.518 68.868 -0.509 0.000 0.866 866 T HN 0.261 nan 8.240 nan 0.000 0.444 867 K N 0.591 120.935 120.400 -0.093 0.000 2.057 867 K HA 0.062 4.383 4.320 0.002 0.000 0.207 867 K C 2.579 179.174 176.600 -0.009 0.000 1.049 867 K CA 1.176 57.449 56.287 -0.024 0.000 0.931 867 K CB -0.279 32.224 32.500 0.005 0.000 0.714 867 K HN 0.355 nan 8.250 nan 0.000 0.440 868 A N 1.104 123.913 122.820 -0.019 0.000 1.969 868 A HA -0.077 4.244 4.320 0.002 0.000 0.218 868 A C 1.943 179.525 177.584 -0.003 0.000 1.169 868 A CA 1.152 53.188 52.037 -0.001 0.000 0.635 868 A CB -0.369 18.629 19.000 -0.003 0.000 0.810 868 A HN 0.169 nan 8.150 nan 0.000 0.445 869 L N -0.853 120.359 121.223 -0.019 0.000 2.558 869 L HA 0.191 4.532 4.340 0.002 0.000 0.225 869 L C 1.626 178.494 176.870 -0.004 0.000 1.128 869 L CA -0.037 54.795 54.840 -0.013 0.000 0.868 869 L CB -0.424 41.622 42.059 -0.022 0.000 1.006 869 L HN 0.414 nan 8.230 nan 0.000 0.454 870 A N 0.000 122.819 122.820 -0.002 0.000 2.254 870 A HA 0.000 4.321 4.320 0.002 0.000 0.244 870 A CA 0.000 52.043 52.037 0.010 0.000 0.836 870 A CB 0.000 19.010 19.000 0.016 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486