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 3b37_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 0.000 177.281 177.300 -0.032 0.000 1.155 5 P CA 0.000 63.003 63.100 -0.161 0.000 0.800 5 P CB 0.000 31.587 31.700 -0.187 0.000 0.726 6 Q N 1.117 120.932 119.800 0.024 0.000 2.241 6 Q HA 0.782 5.121 4.340 -0.003 0.000 0.254 6 Q C -0.306 175.735 176.000 0.069 0.000 0.917 6 Q CA -0.182 55.663 55.803 0.070 0.000 0.919 6 Q CB 1.693 30.476 28.738 0.075 0.000 1.237 6 Q HN 0.659 nan 8.270 nan 0.000 0.434 7 A N 3.518 126.380 122.820 0.069 0.000 2.425 7 A HA 0.393 4.712 4.320 -0.003 0.000 0.249 7 A C -0.413 177.079 177.584 -0.153 0.000 1.084 7 A CA -0.136 51.855 52.037 -0.078 0.000 0.781 7 A CB 0.360 19.254 19.000 -0.178 0.000 1.019 7 A HN 0.636 nan 8.150 nan 0.000 0.490 8 K N 0.660 120.933 120.400 -0.211 0.000 2.203 8 K HA 0.530 4.848 4.320 -0.003 0.000 0.251 8 K C -1.766 174.689 176.600 -0.241 0.000 0.944 8 K CA -0.227 56.023 56.287 -0.061 0.000 0.829 8 K CB 1.684 34.272 32.500 0.147 0.000 1.125 8 K HN 0.681 nan 8.250 nan 0.000 0.430 9 Y N 0.612 120.909 120.300 -0.006 0.000 2.409 9 Y HA 0.267 4.816 4.550 -0.003 0.000 0.343 9 Y C 1.305 176.696 175.900 -0.850 0.000 0.973 9 Y CA -0.775 57.047 58.100 -0.463 0.000 1.064 9 Y CB 1.784 39.806 38.460 -0.731 0.000 1.207 9 Y HN 0.580 nan 8.280 nan 0.000 0.452 10 R N 1.419 121.139 120.500 -1.299 0.000 2.105 10 R HA -0.185 4.154 4.340 -0.003 0.000 0.239 10 R C 1.841 177.902 176.300 -0.399 0.000 1.135 10 R CA 2.140 57.479 56.100 -1.267 0.000 0.967 10 R CB -0.280 29.436 30.300 -0.973 0.000 0.861 10 R HN 0.958 nan 8.270 nan 0.000 0.442 11 H N -1.933 117.054 119.070 -0.139 0.000 2.545 11 H HA -0.024 4.531 4.556 -0.003 0.000 0.282 11 H C 0.339 175.685 175.328 0.030 0.000 1.020 11 H CA 0.635 56.666 56.048 -0.028 0.000 1.243 11 H CB 0.060 29.805 29.762 -0.028 0.000 1.377 11 H HN 0.233 nan 8.280 nan 0.000 0.581 12 D N 0.649 121.064 120.400 0.024 0.000 2.340 12 D HA -0.051 4.587 4.640 -0.003 0.000 0.220 12 D C 0.164 176.533 176.300 0.115 0.000 1.039 12 D CA -0.096 53.977 54.000 0.122 0.000 0.866 12 D CB -0.480 40.386 40.800 0.110 0.000 0.913 12 D HN 0.390 nan 8.370 nan 0.000 0.523 13 Y N 2.577 122.903 120.300 0.042 0.000 2.810 13 Y HA -0.013 4.536 4.550 -0.003 0.000 0.332 13 Y C 0.102 176.040 175.900 0.064 0.000 1.243 13 Y CA 0.282 58.425 58.100 0.071 0.000 1.537 13 Y CB 0.271 38.769 38.460 0.062 0.000 1.265 13 Y HN -0.261 nan 8.280 nan 0.000 0.572 14 R N 4.514 124.479 120.500 -0.892 0.000 2.651 14 R HA 0.566 4.904 4.340 -0.003 0.000 0.278 14 R C -0.768 175.020 176.300 -0.853 0.000 1.010 14 R CA -0.723 54.976 56.100 -0.668 0.000 0.896 14 R CB 1.393 31.545 30.300 -0.247 0.000 1.211 14 R HN 0.829 nan 8.270 nan 0.000 0.456 15 A N 4.200 126.744 122.820 -0.459 0.000 2.555 15 A HA 0.264 4.582 4.320 -0.003 0.000 0.233 15 A C -1.672 175.828 177.584 -0.142 0.000 1.060 15 A CA -0.491 51.426 52.037 -0.199 0.000 0.759 15 A CB -0.607 18.363 19.000 -0.049 0.000 0.995 15 A HN 0.408 nan 8.150 nan 0.000 0.506 16 P HA 0.140 nan 4.420 nan 0.000 0.271 16 P C -0.283 177.040 177.300 0.037 0.000 1.216 16 P CA -0.282 62.823 63.100 0.008 0.000 0.776 16 P CB 0.729 32.462 31.700 0.056 0.000 0.881 17 D N 0.403 120.845 120.400 0.070 0.000 2.218 17 D HA -0.082 4.556 4.640 -0.003 0.000 0.204 17 D C 0.071 176.274 176.300 -0.161 0.000 0.976 17 D CA 1.758 55.758 54.000 -0.000 0.000 0.853 17 D CB -0.101 40.744 40.800 0.075 0.000 0.939 17 D HN 0.442 nan 8.370 nan 0.000 0.481 18 Y N -0.144 120.209 120.300 0.088 0.000 2.477 18 Y HA 0.346 4.894 4.550 -0.003 0.000 0.347 18 Y C 0.386 176.337 175.900 0.085 0.000 0.981 18 Y CA -0.965 57.183 58.100 0.079 0.000 1.033 18 Y CB 1.597 40.082 38.460 0.041 0.000 1.245 18 Y HN -0.364 nan 8.280 nan 0.000 0.455 19 Q N 2.366 122.315 119.800 0.249 0.000 2.257 19 Q HA 0.584 4.922 4.340 -0.003 0.000 0.262 19 Q C -1.068 174.940 176.000 0.013 0.000 0.997 19 Q CA -0.771 55.117 55.803 0.142 0.000 0.873 19 Q CB 3.017 31.890 28.738 0.225 0.000 1.312 19 Q HN 0.702 nan 8.270 nan 0.000 0.450 20 I N 0.712 121.257 120.570 -0.041 0.000 2.433 20 I HA 0.201 4.369 4.170 -0.003 0.000 0.292 20 I C 1.214 177.312 176.117 -0.032 0.000 1.001 20 I CA -0.152 61.093 61.300 -0.091 0.000 1.119 20 I CB 2.057 39.963 38.000 -0.158 0.000 1.289 20 I HN 0.725 nan 8.210 nan 0.000 0.438 21 T N -0.285 114.239 114.554 -0.050 0.000 3.023 21 T HA 0.263 4.612 4.350 -0.003 0.000 0.249 21 T C 0.113 174.797 174.700 -0.027 0.000 1.050 21 T CA 0.244 62.332 62.100 -0.021 0.000 1.088 21 T CB 0.022 68.873 68.868 -0.029 0.000 0.946 21 T HN 0.531 nan 8.240 nan 0.000 0.480 22 D N -0.123 120.238 120.400 -0.066 0.000 2.837 22 D HA 0.635 5.273 4.640 -0.003 0.000 0.220 22 D C -1.752 174.461 176.300 -0.145 0.000 1.236 22 D CA -0.470 53.477 54.000 -0.088 0.000 0.838 22 D CB 2.621 43.383 40.800 -0.063 0.000 1.647 22 D HN 0.351 nan 8.370 nan 0.000 0.486 23 I N 0.905 121.325 120.570 -0.250 0.000 2.569 23 I HA 0.388 4.556 4.170 -0.003 0.000 0.290 23 I C -1.674 174.310 176.117 -0.222 0.000 1.088 23 I CA -0.595 60.531 61.300 -0.289 0.000 1.047 23 I CB 1.585 39.287 38.000 -0.497 0.000 1.237 23 I HN 0.214 nan 8.210 nan 0.000 0.421 24 D N 8.676 129.004 120.400 -0.122 0.000 2.425 24 D HA 0.451 5.090 4.640 -0.003 0.000 0.240 24 D C -0.734 175.535 176.300 -0.051 0.000 1.080 24 D CA -0.018 53.954 54.000 -0.046 0.000 0.836 24 D CB 2.391 43.172 40.800 -0.032 0.000 1.125 24 D HN 0.384 nan 8.370 nan 0.000 0.525 25 L N 1.438 122.669 121.223 0.014 0.000 2.317 25 L HA 0.463 4.801 4.340 -0.003 0.000 0.281 25 L C 0.289 177.171 176.870 0.020 0.000 1.024 25 L CA -0.360 54.462 54.840 -0.031 0.000 0.810 25 L CB 1.850 43.956 42.059 0.079 0.000 1.240 25 L HN 0.144 nan 8.230 nan 0.000 0.427 26 T N 2.290 116.764 114.554 -0.132 0.000 2.824 26 T HA 0.554 4.903 4.350 -0.003 0.000 0.282 26 T C -0.854 173.729 174.700 -0.195 0.000 0.993 26 T CA -0.331 61.740 62.100 -0.048 0.000 0.967 26 T CB 0.821 69.639 68.868 -0.083 0.000 0.960 26 T HN 0.070 nan 8.240 nan 0.000 0.441 27 F N 2.139 122.110 119.950 0.035 0.000 2.402 27 F HA 0.345 4.870 4.527 -0.003 0.000 0.355 27 F C 0.498 176.305 175.800 0.011 0.000 1.123 27 F CA -1.139 56.873 58.000 0.021 0.000 1.021 27 F CB 1.224 40.252 39.000 0.046 0.000 1.160 27 F HN 0.393 nan 8.300 nan 0.000 0.451 28 D N 5.061 125.536 120.400 0.125 0.000 2.456 28 D HA 0.236 4.874 4.640 -0.003 0.000 0.219 28 D C -0.449 175.913 176.300 0.104 0.000 1.126 28 D CA -0.036 54.020 54.000 0.094 0.000 0.890 28 D CB 0.437 41.261 40.800 0.040 0.000 1.025 28 D HN 0.419 nan 8.370 nan 0.000 0.511 29 L N 3.028 124.311 121.223 0.099 0.000 2.331 29 L HA 0.332 4.671 4.340 -0.003 0.000 0.278 29 L C 0.132 177.020 176.870 0.030 0.000 1.106 29 L CA -0.048 54.809 54.840 0.027 0.000 0.824 29 L CB 0.962 42.948 42.059 -0.121 0.000 1.142 29 L HN 0.397 nan 8.230 nan 0.000 0.443 30 D N 1.414 121.832 120.400 0.030 0.000 2.836 30 D HA 0.362 5.001 4.640 -0.003 0.000 0.215 30 D C 0.276 176.618 176.300 0.069 0.000 1.255 30 D CA -0.224 53.827 54.000 0.085 0.000 0.822 30 D CB 1.598 42.451 40.800 0.089 0.000 1.656 30 D HN 0.442 nan 8.370 nan 0.000 0.511 31 A N 2.198 125.085 122.820 0.112 0.000 1.940 31 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 31 A C 1.729 179.349 177.584 0.060 0.000 1.176 31 A CA 1.393 53.482 52.037 0.087 0.000 0.631 31 A CB -0.304 18.765 19.000 0.116 0.000 0.814 31 A HN 0.606 nan 8.150 nan 0.000 0.446 32 Q N -0.977 118.858 119.800 0.059 0.000 2.123 32 Q HA 0.101 4.440 4.340 -0.003 0.000 0.196 32 Q C 0.735 176.758 176.000 0.038 0.000 0.958 32 Q CA 1.114 56.943 55.803 0.043 0.000 0.841 32 Q CB 0.072 28.834 28.738 0.040 0.000 0.915 32 Q HN 0.663 nan 8.270 nan 0.000 0.455 33 K N 0.616 121.041 120.400 0.042 0.000 2.687 33 K HA 0.280 4.598 4.320 -0.003 0.000 0.249 33 K C -1.405 175.219 176.600 0.040 0.000 0.994 33 K CA 0.051 56.359 56.287 0.035 0.000 0.913 33 K CB 1.342 33.860 32.500 0.029 0.000 1.202 33 K HN -0.171 nan 8.250 nan 0.000 0.460 34 T N 2.718 117.296 114.554 0.041 0.000 2.795 34 T HA 0.311 4.659 4.350 -0.003 0.000 0.282 34 T C -0.586 174.129 174.700 0.026 0.000 0.980 34 T CA -0.456 61.678 62.100 0.056 0.000 1.012 34 T CB 1.296 70.222 68.868 0.098 0.000 0.936 34 T HN 0.227 nan 8.240 nan 0.000 0.457 35 V N 4.540 124.462 119.914 0.013 0.000 2.370 35 V HA 0.409 4.528 4.120 -0.003 0.000 0.279 35 V C -0.063 175.964 176.094 -0.111 0.000 1.029 35 V CA -0.685 61.591 62.300 -0.039 0.000 0.870 35 V CB 1.489 33.294 31.823 -0.030 0.000 0.984 35 V HN 0.665 nan 8.190 nan 0.000 0.451 36 V N 4.065 123.862 119.914 -0.194 0.000 2.417 36 V HA 0.479 4.598 4.120 -0.003 0.000 0.291 36 V C 0.234 176.154 176.094 -0.290 0.000 1.024 36 V CA -0.302 61.764 62.300 -0.389 0.000 0.861 36 V CB 1.911 33.440 31.823 -0.490 0.000 0.985 36 V HN 0.920 nan 8.190 nan 0.000 0.436 37 T N 4.293 118.667 114.554 -0.300 0.000 2.770 37 T HA 0.717 5.065 4.350 -0.003 0.000 0.283 37 T C -0.106 174.464 174.700 -0.218 0.000 0.988 37 T CA -0.312 61.665 62.100 -0.205 0.000 0.957 37 T CB 1.476 70.251 68.868 -0.156 0.000 0.930 37 T HN 0.907 nan 8.240 nan 0.000 0.443 38 A N 3.159 125.881 122.820 -0.162 0.000 2.332 38 A HA 0.699 5.017 4.320 -0.003 0.000 0.300 38 A C -0.604 176.933 177.584 -0.080 0.000 1.153 38 A CA -0.644 51.315 52.037 -0.131 0.000 0.764 38 A CB 0.894 19.830 19.000 -0.107 0.000 1.174 38 A HN 0.668 nan 8.150 nan 0.000 0.467 39 V N 2.727 122.592 119.914 -0.081 0.000 2.334 39 V HA 0.458 4.576 4.120 -0.003 0.000 0.281 39 V C 0.121 176.176 176.094 -0.066 0.000 1.016 39 V CA -0.250 62.011 62.300 -0.066 0.000 0.832 39 V CB 1.115 32.896 31.823 -0.070 0.000 0.999 39 V HN 0.838 nan 8.190 nan 0.000 0.439 40 S N 4.404 120.072 115.700 -0.053 0.000 2.472 40 S HA 0.518 4.986 4.470 -0.003 0.000 0.303 40 S C -0.608 173.918 174.600 -0.124 0.000 1.099 40 S CA -0.799 57.360 58.200 -0.067 0.000 1.077 40 S CB 1.608 64.799 63.200 -0.015 0.000 1.031 40 S HN 0.666 nan 8.310 nan 0.000 0.487 41 Q N 1.908 121.622 119.800 -0.144 0.000 2.331 41 Q HA 0.631 4.969 4.340 -0.003 0.000 0.257 41 Q C -0.439 175.394 176.000 -0.277 0.000 0.957 41 Q CA -0.284 55.401 55.803 -0.197 0.000 0.923 41 Q CB 1.384 30.041 28.738 -0.135 0.000 1.212 41 Q HN 0.716 nan 8.270 nan 0.000 0.443 42 A N 2.141 124.653 122.820 -0.514 0.000 2.356 42 A HA 0.844 5.162 4.320 -0.003 0.000 0.323 42 A C -0.785 176.446 177.584 -0.587 0.000 1.119 42 A CA -0.639 51.038 52.037 -0.601 0.000 0.790 42 A CB 1.552 20.018 19.000 -0.890 0.000 1.273 42 A HN 0.416 nan 8.150 nan 0.000 0.452 43 V N 1.380 121.108 119.914 -0.311 0.000 2.686 43 V HA 0.465 4.583 4.120 -0.003 0.000 0.306 43 V C 0.014 175.948 176.094 -0.267 0.000 1.065 43 V CA -0.662 61.472 62.300 -0.278 0.000 0.894 43 V CB 1.710 33.355 31.823 -0.297 0.000 1.004 43 V HN 0.982 nan 8.190 nan 0.000 0.424 44 R N 2.738 123.081 120.500 -0.261 0.000 2.265 44 R HA 0.382 4.721 4.340 -0.003 0.000 0.314 44 R C 0.266 176.241 176.300 -0.541 0.000 1.053 44 R CA -0.281 55.511 56.100 -0.514 0.000 0.931 44 R CB 0.483 30.524 30.300 -0.431 0.000 1.024 44 R HN 0.844 nan 8.270 nan 0.000 0.457 45 H N 2.201 121.096 119.070 -0.292 0.000 2.681 45 H HA 0.140 4.695 4.556 -0.003 0.000 0.268 45 H C 0.968 176.198 175.328 -0.163 0.000 0.967 45 H CA 0.628 56.577 56.048 -0.165 0.000 1.233 45 H CB 0.933 30.631 29.762 -0.108 0.000 1.445 45 H HN 0.742 nan 8.280 nan 0.000 0.494 46 G N 0.628 109.343 108.800 -0.142 0.000 2.494 46 G HA2 0.402 4.361 3.960 -0.003 0.000 0.270 46 G HA3 0.402 4.361 3.960 -0.003 0.000 0.270 46 G C -0.174 174.668 174.900 -0.097 0.000 1.423 46 G CA 0.080 45.118 45.100 -0.104 0.000 1.055 46 G HN 0.332 nan 8.290 nan 0.000 0.536 47 A N -0.699 122.090 122.820 -0.052 0.000 2.462 47 A HA 0.412 4.730 4.320 -0.003 0.000 0.243 47 A C 1.843 179.414 177.584 -0.022 0.000 1.076 47 A CA 0.681 52.703 52.037 -0.025 0.000 0.773 47 A CB 0.236 19.236 19.000 -0.000 0.000 1.010 47 A HN 1.491 nan 8.150 nan 0.000 0.493 48 S N 0.880 116.575 115.700 -0.008 0.000 2.440 48 S HA -0.196 4.272 4.470 -0.003 0.000 0.240 48 S C 0.800 175.427 174.600 0.045 0.000 1.014 48 S CA 1.533 59.741 58.200 0.013 0.000 0.980 48 S CB -0.366 62.843 63.200 0.016 0.000 0.775 48 S HN 0.853 nan 8.310 nan 0.000 0.499 49 D N 1.197 121.623 120.400 0.043 0.000 2.363 49 D HA 0.395 5.033 4.640 -0.003 0.000 0.214 49 D C 0.322 176.670 176.300 0.081 0.000 1.093 49 D CA 0.021 54.056 54.000 0.058 0.000 0.837 49 D CB -0.180 40.644 40.800 0.040 0.000 0.948 49 D HN 0.489 nan 8.370 nan 0.000 0.507 50 A N 1.882 124.761 122.820 0.097 0.000 2.366 50 A HA 0.538 4.856 4.320 -0.003 0.000 0.272 50 A C -2.268 175.474 177.584 0.263 0.000 1.135 50 A CA -1.081 51.042 52.037 0.143 0.000 0.804 50 A CB 0.392 19.458 19.000 0.110 0.000 1.064 50 A HN 0.098 nan 8.150 nan 0.000 0.499 51 P HA 0.313 nan 4.420 nan 0.000 0.278 51 P C -0.691 176.689 177.300 0.133 0.000 1.258 51 P CA -0.584 62.609 63.100 0.154 0.000 0.811 51 P CB 0.860 32.611 31.700 0.085 0.000 1.063 52 L N 2.634 123.729 121.223 -0.214 0.000 2.315 52 L HA 0.269 4.607 4.340 -0.003 0.000 0.283 52 L C 0.164 176.934 176.870 -0.166 0.000 1.089 52 L CA 0.128 54.681 54.840 -0.478 0.000 0.833 52 L CB -0.225 41.336 42.059 -0.830 0.000 1.170 52 L HN 0.238 nan 8.230 nan 0.000 0.442 53 R N 6.565 127.030 120.500 -0.057 0.000 2.239 53 R HA 0.475 4.813 4.340 -0.003 0.000 0.332 53 R C -1.157 175.148 176.300 0.008 0.000 0.988 53 R CA -0.593 55.505 56.100 -0.003 0.000 0.859 53 R CB 0.744 31.073 30.300 0.048 0.000 1.148 53 R HN 0.622 nan 8.270 nan 0.000 0.482 54 L N 2.984 124.208 121.223 0.001 0.000 2.307 54 L HA 0.321 4.659 4.340 -0.003 0.000 0.282 54 L C 0.261 177.242 176.870 0.184 0.000 1.051 54 L CA -0.868 54.015 54.840 0.071 0.000 0.804 54 L CB 1.032 43.123 42.059 0.055 0.000 1.197 54 L HN 0.462 nan 8.230 nan 0.000 0.431 55 N N 2.136 120.962 118.700 0.210 0.000 2.530 55 N HA 0.501 5.240 4.740 -0.003 0.000 0.273 55 N C -0.111 175.531 175.510 0.219 0.000 1.173 55 N CA -0.059 53.117 53.050 0.209 0.000 0.967 55 N CB 1.890 40.490 38.487 0.187 0.000 1.109 55 N HN 0.789 nan 8.380 nan 0.000 0.453 56 G N 0.549 109.413 108.800 0.107 0.000 2.755 56 G HA2 0.348 4.306 3.960 -0.003 0.000 0.297 56 G HA3 0.348 4.306 3.960 -0.003 0.000 0.297 56 G C -1.425 173.309 174.900 -0.276 0.000 1.441 56 G CA -0.482 44.452 45.100 -0.276 0.000 0.964 56 G HN 0.307 nan 8.290 nan 0.000 0.540 57 E N 1.681 121.611 120.200 -0.449 0.000 2.256 57 E HA 0.326 4.674 4.350 -0.003 0.000 0.268 57 E C -0.952 175.413 176.600 -0.393 0.000 0.877 57 E CA -0.608 55.513 56.400 -0.465 0.000 0.757 57 E CB 2.129 31.319 29.700 -0.851 0.000 1.183 57 E HN 0.583 nan 8.360 nan 0.000 0.418 58 D N 1.707 121.984 120.400 -0.206 0.000 2.689 58 D HA -0.196 4.443 4.640 -0.003 0.000 0.237 58 D C -0.450 175.771 176.300 -0.131 0.000 1.148 58 D CA 0.937 54.871 54.000 -0.109 0.000 0.656 58 D CB -1.121 39.660 40.800 -0.032 0.000 1.050 58 D HN 0.321 nan 8.370 nan 0.000 0.426 59 L N -0.355 120.753 121.223 -0.191 0.000 2.334 59 L HA 0.396 4.734 4.340 -0.003 0.000 0.276 59 L C 0.817 177.635 176.870 -0.087 0.000 1.014 59 L CA -0.848 53.866 54.840 -0.210 0.000 0.815 59 L CB 1.996 43.769 42.059 -0.476 0.000 1.268 59 L HN -0.168 nan 8.230 nan 0.000 0.428 60 K N 3.244 123.613 120.400 -0.051 0.000 2.292 60 K HA 0.324 4.642 4.320 -0.003 0.000 0.270 60 K C -0.841 175.767 176.600 0.014 0.000 1.062 60 K CA -0.780 55.507 56.287 0.000 0.000 0.916 60 K CB 0.958 33.459 32.500 0.002 0.000 1.166 60 K HN 0.376 nan 8.250 nan 0.000 0.458 61 L N 5.532 126.792 121.223 0.061 0.000 2.410 61 L HA 0.043 4.381 4.340 -0.003 0.000 0.273 61 L C 0.318 177.191 176.870 0.005 0.000 1.152 61 L CA 0.543 55.410 54.840 0.045 0.000 0.855 61 L CB 1.384 43.454 42.059 0.018 0.000 1.129 61 L HN 0.618 nan 8.230 nan 0.000 0.463 62 V N 2.569 122.474 119.914 -0.015 0.000 2.690 62 V HA 0.295 4.413 4.120 -0.003 0.000 0.240 62 V C 0.539 176.633 176.094 0.000 0.000 1.078 62 V CA 1.046 63.346 62.300 0.001 0.000 1.102 62 V CB 0.245 32.068 31.823 -0.000 0.000 0.800 62 V HN 0.936 nan 8.190 nan 0.000 0.479 63 S N -1.345 114.339 115.700 -0.028 0.000 2.567 63 S HA 0.698 5.166 4.470 -0.003 0.000 0.270 63 S C -1.407 173.144 174.600 -0.081 0.000 1.152 63 S CA -0.634 57.554 58.200 -0.020 0.000 0.835 63 S CB 2.249 65.527 63.200 0.130 0.000 1.115 63 S HN -0.041 nan 8.310 nan 0.000 0.459 64 V N 2.941 122.760 119.914 -0.158 0.000 2.483 64 V HA 0.570 4.689 4.120 -0.003 0.000 0.297 64 V C -0.829 175.203 176.094 -0.104 0.000 1.027 64 V CA -0.386 61.803 62.300 -0.185 0.000 0.855 64 V CB 1.329 32.859 31.823 -0.487 0.000 0.995 64 V HN 0.984 nan 8.190 nan 0.000 0.424 65 H N 4.925 123.972 119.070 -0.038 0.000 2.690 65 H HA 0.595 5.149 4.556 -0.003 0.000 0.368 65 H C -1.268 174.016 175.328 -0.073 0.000 1.150 65 H CA -0.803 55.257 56.048 0.019 0.000 1.174 65 H CB 3.002 32.775 29.762 0.017 0.000 1.684 65 H HN 0.341 nan 8.280 nan 0.000 0.538 66 I N 2.680 123.264 120.570 0.022 0.000 2.410 66 I HA 0.032 4.200 4.170 -0.003 0.000 0.286 66 I C 0.130 176.242 176.117 -0.010 0.000 1.009 66 I CA -0.673 60.508 61.300 -0.197 0.000 1.111 66 I CB 1.087 38.536 38.000 -0.920 0.000 1.262 66 I HN 0.688 nan 8.210 nan 0.000 0.443 67 N N 5.248 123.971 118.700 0.038 0.000 2.716 67 N HA -0.219 4.519 4.740 -0.003 0.000 0.250 67 N C 0.162 175.725 175.510 0.088 0.000 1.033 67 N CA 1.170 54.259 53.050 0.064 0.000 0.727 67 N CB -0.736 37.792 38.487 0.069 0.000 0.950 67 N HN 0.694 nan 8.380 nan 0.000 0.541 68 D N -2.387 118.076 120.400 0.106 0.000 3.046 68 D HA -0.227 4.412 4.640 -0.003 0.000 0.210 68 D C 0.142 176.608 176.300 0.276 0.000 1.124 68 D CA 1.648 55.728 54.000 0.133 0.000 0.986 68 D CB -0.760 40.070 40.800 0.050 0.000 1.118 68 D HN 0.749 nan 8.370 nan 0.000 0.416 69 E N 1.212 121.570 120.200 0.263 0.000 2.167 69 E HA 0.389 4.738 4.350 -0.003 0.000 0.284 69 E C -2.661 174.070 176.600 0.218 0.000 1.016 69 E CA -2.027 54.527 56.400 0.257 0.000 0.817 69 E CB 1.040 30.901 29.700 0.268 0.000 1.080 69 E HN -0.140 nan 8.360 nan 0.000 0.397 70 P HA -0.071 nan 4.420 nan 0.000 0.260 70 P C -0.998 176.344 177.300 0.069 0.000 1.185 70 P CA 0.276 63.225 63.100 -0.253 0.000 0.763 70 P CB 0.215 31.812 31.700 -0.172 0.000 0.776 71 W N 3.915 125.146 121.300 -0.115 0.000 2.351 71 W HA 0.141 4.800 4.660 -0.003 0.000 0.311 71 W C 0.676 177.314 176.519 0.199 0.000 1.168 71 W CA -0.316 57.052 57.345 0.038 0.000 1.200 71 W CB 1.535 31.019 29.460 0.040 0.000 1.221 71 W HN 0.370 nan 8.180 nan 0.000 0.519 72 T N 0.982 115.332 114.554 -0.340 0.000 3.014 72 T HA 0.187 4.535 4.350 -0.003 0.000 0.250 72 T C 0.747 175.172 174.700 -0.459 0.000 1.060 72 T CA 0.118 62.024 62.100 -0.324 0.000 1.040 72 T CB 0.380 69.043 68.868 -0.341 0.000 0.971 72 T HN 0.384 nan 8.240 nan 0.000 0.497 73 A N 2.755 125.222 122.820 -0.588 0.000 3.078 73 A HA 0.575 4.893 4.320 -0.003 0.000 0.279 73 A C -0.125 177.573 177.584 0.190 0.000 1.594 73 A CA -1.107 50.762 52.037 -0.280 0.000 1.301 73 A CB -0.878 17.938 19.000 -0.306 0.000 1.162 73 A HN 0.694 nan 8.150 nan 0.000 0.585 74 W N 0.602 121.910 121.300 0.014 0.000 3.074 74 W HA 0.694 5.352 4.660 -0.003 0.000 0.332 74 W C -1.405 175.098 176.519 -0.027 0.000 1.253 74 W CA -1.034 56.330 57.345 0.032 0.000 1.180 74 W CB 0.740 30.239 29.460 0.064 0.000 1.445 74 W HN 0.390 nan 8.180 nan 0.000 0.573 75 K N 0.523 121.098 120.400 0.292 0.000 2.527 75 K HA 0.536 4.854 4.320 -0.003 0.000 0.260 75 K C -1.178 175.607 176.600 0.308 0.000 0.937 75 K CA -0.825 55.558 56.287 0.161 0.000 0.826 75 K CB 3.195 35.692 32.500 -0.005 0.000 1.359 75 K HN 0.437 nan 8.250 nan 0.000 0.434 76 E N 1.490 121.872 120.200 0.304 0.000 2.227 76 E HA 0.168 4.516 4.350 -0.003 0.000 0.282 76 E C -0.805 175.866 176.600 0.117 0.000 1.015 76 E CA -0.427 56.086 56.400 0.188 0.000 0.823 76 E CB 1.445 31.280 29.700 0.225 0.000 1.081 76 E HN 0.442 nan 8.360 nan 0.000 0.396 77 E N 1.387 121.645 120.200 0.096 0.000 2.404 77 E HA 0.140 4.489 4.350 -0.003 0.000 0.264 77 E C -0.931 175.720 176.600 0.084 0.000 0.946 77 E CA -1.041 55.405 56.400 0.077 0.000 0.806 77 E CB 1.059 30.797 29.700 0.063 0.000 1.334 77 E HN 0.275 nan 8.360 nan 0.000 0.429 78 E N 0.193 120.432 120.200 0.065 0.000 2.606 78 E HA 0.062 4.411 4.350 -0.003 0.000 0.248 78 E C 0.529 177.170 176.600 0.068 0.000 1.005 78 E CA 1.384 57.819 56.400 0.058 0.000 0.946 78 E CB -0.349 29.375 29.700 0.041 0.000 0.928 78 E HN 0.708 nan 8.360 nan 0.000 0.494 79 G N 2.577 111.420 108.800 0.072 0.000 2.155 79 G HA2 -0.124 3.835 3.960 -0.003 0.000 0.257 79 G HA3 -0.124 3.835 3.960 -0.003 0.000 0.257 79 G C 0.186 175.167 174.900 0.135 0.000 0.983 79 G CA 0.396 45.539 45.100 0.071 0.000 0.676 79 G HN 1.126 nan 8.290 nan 0.000 0.528 80 A N -1.416 121.514 122.820 0.182 0.000 2.606 80 A HA 0.847 5.165 4.320 -0.003 0.000 0.293 80 A C -1.266 176.373 177.584 0.091 0.000 1.082 80 A CA -0.282 51.865 52.037 0.183 0.000 0.685 80 A CB 1.721 20.784 19.000 0.104 0.000 1.284 80 A HN 1.586 nan 8.150 nan 0.000 0.408 81 L N 1.708 122.862 121.223 -0.115 0.000 2.319 81 L HA 0.724 5.062 4.340 -0.003 0.000 0.281 81 L C -1.272 175.515 176.870 -0.139 0.000 1.005 81 L CA -0.381 54.246 54.840 -0.356 0.000 0.828 81 L CB 1.588 43.000 42.059 -1.079 0.000 1.227 81 L HN 0.444 nan 8.230 nan 0.000 0.415 82 V N 6.951 126.858 119.914 -0.012 0.000 2.347 82 V HA 0.479 4.597 4.120 -0.003 0.000 0.280 82 V C 0.103 176.244 176.094 0.078 0.000 1.021 82 V CA -0.347 61.967 62.300 0.024 0.000 0.847 82 V CB 1.272 33.125 31.823 0.050 0.000 0.990 82 V HN 0.601 nan 8.190 nan 0.000 0.444 83 I N 3.845 124.426 120.570 0.019 0.000 2.362 83 I HA 0.465 4.633 4.170 -0.003 0.000 0.289 83 I C 0.276 176.433 176.117 0.067 0.000 0.994 83 I CA 0.061 61.405 61.300 0.073 0.000 1.158 83 I CB 1.856 39.789 38.000 -0.112 0.000 1.315 83 I HN 0.521 nan 8.210 nan 0.000 0.451 84 S N 4.444 120.272 115.700 0.213 0.000 2.681 84 S HA 0.404 4.873 4.470 -0.003 0.000 0.299 84 S C 0.160 174.924 174.600 0.274 0.000 1.113 84 S CA -0.566 57.739 58.200 0.176 0.000 1.013 84 S CB 1.053 64.325 63.200 0.119 0.000 1.076 84 S HN 0.767 nan 8.310 nan 0.000 0.534 85 N N 0.374 119.184 118.700 0.183 0.000 2.780 85 N HA -0.136 4.602 4.740 -0.003 0.000 0.247 85 N C -1.182 174.473 175.510 0.242 0.000 1.076 85 N CA 0.404 53.572 53.050 0.198 0.000 0.688 85 N CB -1.744 36.841 38.487 0.163 0.000 0.957 85 N HN 0.457 nan 8.380 nan 0.000 0.551 86 L N 0.342 121.601 121.223 0.061 0.000 2.360 86 L HA 0.567 4.906 4.340 -0.003 0.000 0.271 86 L C -1.340 175.498 176.870 -0.054 0.000 1.057 86 L CA -1.585 53.127 54.840 -0.213 0.000 0.803 86 L CB 0.595 42.314 42.059 -0.566 0.000 1.207 86 L HN -0.075 nan 8.230 nan 0.000 0.445 87 P HA 0.057 nan 4.420 nan 0.000 0.277 87 P C 0.199 177.636 177.300 0.229 0.000 1.276 87 P CA -0.462 62.693 63.100 0.091 0.000 0.788 87 P CB 0.654 32.419 31.700 0.108 0.000 1.114 88 E N -0.357 119.936 120.200 0.156 0.000 2.150 88 E HA -0.119 4.230 4.350 -0.003 0.000 0.193 88 E C 0.012 176.685 176.600 0.122 0.000 0.985 88 E CA 0.881 57.344 56.400 0.106 0.000 0.814 88 E CB 0.220 29.931 29.700 0.018 0.000 0.752 88 E HN 0.296 nan 8.360 nan 0.000 0.466 89 R N -0.550 120.043 120.500 0.155 0.000 2.621 89 R HA 0.434 4.773 4.340 -0.003 0.000 0.284 89 R C -1.264 175.128 176.300 0.153 0.000 0.998 89 R CA -0.616 55.500 56.100 0.025 0.000 0.895 89 R CB 1.582 31.860 30.300 -0.036 0.000 1.195 89 R HN -0.003 nan 8.270 nan 0.000 0.450 90 F N -2.390 117.529 119.950 -0.051 0.000 2.741 90 F HA 0.450 4.975 4.527 -0.003 0.000 0.311 90 F C -1.179 174.570 175.800 -0.085 0.000 1.149 90 F CA -1.086 56.868 58.000 -0.078 0.000 0.930 90 F CB 1.440 40.362 39.000 -0.130 0.000 1.312 90 F HN 0.143 nan 8.300 nan 0.000 0.450 91 T N 3.190 117.801 114.554 0.095 0.000 2.743 91 T HA 0.536 4.884 4.350 -0.003 0.000 0.292 91 T C -0.965 173.798 174.700 0.104 0.000 0.972 91 T CA -0.307 61.802 62.100 0.016 0.000 0.967 91 T CB 1.041 69.910 68.868 0.001 0.000 0.926 91 T HN 0.707 nan 8.240 nan 0.000 0.459 92 L N 3.913 125.175 121.223 0.064 0.000 2.275 92 L HA 0.588 4.926 4.340 -0.003 0.000 0.288 92 L C -0.123 176.747 176.870 -0.001 0.000 1.046 92 L CA -0.193 54.680 54.840 0.055 0.000 0.805 92 L CB 0.714 42.810 42.059 0.063 0.000 1.193 92 L HN 0.480 nan 8.230 nan 0.000 0.426 93 K N 6.118 126.519 120.400 0.000 0.000 2.413 93 K HA 0.534 4.852 4.320 -0.003 0.000 0.257 93 K C -1.566 175.031 176.600 -0.005 0.000 0.946 93 K CA -0.645 55.634 56.287 -0.014 0.000 0.823 93 K CB 0.971 33.449 32.500 -0.036 0.000 1.109 93 K HN 0.570 nan 8.250 nan 0.000 0.427 94 I N 6.196 126.747 120.570 -0.032 0.000 2.433 94 I HA 0.391 4.560 4.170 -0.003 0.000 0.292 94 I C -0.163 175.922 176.117 -0.054 0.000 1.001 94 I CA -0.829 60.448 61.300 -0.039 0.000 1.119 94 I CB 1.613 39.605 38.000 -0.013 0.000 1.289 94 I HN 0.626 nan 8.210 nan 0.000 0.438 95 I N 7.156 127.700 120.570 -0.044 0.000 2.433 95 I HA 0.401 4.570 4.170 -0.003 0.000 0.292 95 I C -0.241 175.844 176.117 -0.053 0.000 1.001 95 I CA -0.499 60.764 61.300 -0.062 0.000 1.119 95 I CB 1.738 39.712 38.000 -0.043 0.000 1.289 95 I HN 0.623 nan 8.210 nan 0.000 0.438 96 N N 4.590 123.242 118.700 -0.080 0.000 2.708 96 N HA 0.437 5.175 4.740 -0.003 0.000 0.257 96 N C -1.544 173.917 175.510 -0.081 0.000 1.373 96 N CA -0.904 52.105 53.050 -0.068 0.000 0.843 96 N CB 2.358 40.798 38.487 -0.079 0.000 1.503 96 N HN 0.478 nan 8.380 nan 0.000 0.504 97 E N 0.635 120.800 120.200 -0.059 0.000 2.207 97 E HA 0.631 4.980 4.350 -0.003 0.000 0.270 97 E C -0.417 176.155 176.600 -0.046 0.000 0.927 97 E CA -0.876 55.498 56.400 -0.043 0.000 0.799 97 E CB 2.533 32.222 29.700 -0.018 0.000 1.172 97 E HN 0.575 nan 8.360 nan 0.000 0.404 98 I N -2.206 118.350 120.570 -0.023 0.000 3.174 98 I HA 0.633 4.802 4.170 -0.003 0.000 0.313 98 I C -0.747 175.381 176.117 0.018 0.000 1.155 98 I CA -0.884 60.411 61.300 -0.008 0.000 0.977 98 I CB 2.411 40.408 38.000 -0.005 0.000 1.248 98 I HN 0.328 nan 8.210 nan 0.000 0.453 99 S N 2.674 118.390 115.700 0.027 0.000 2.395 99 S HA 0.509 4.978 4.470 -0.003 0.000 0.207 99 S C -2.057 172.569 174.600 0.044 0.000 1.454 99 S CA -1.298 56.922 58.200 0.033 0.000 1.211 99 S CB 0.705 63.920 63.200 0.025 0.000 1.093 99 S HN 0.561 nan 8.310 nan 0.000 0.472 100 P HA -0.090 nan 4.420 nan 0.000 0.216 100 P C 1.403 178.740 177.300 0.062 0.000 1.150 100 P CA 1.311 64.451 63.100 0.065 0.000 0.843 100 P CB 0.155 31.881 31.700 0.044 0.000 0.787 101 A N -0.310 122.535 122.820 0.043 0.000 2.015 101 A HA -0.021 4.298 4.320 -0.003 0.000 0.219 101 A C 2.164 179.757 177.584 0.015 0.000 1.163 101 A CA 1.722 53.775 52.037 0.027 0.000 0.646 101 A CB -1.334 17.681 19.000 0.024 0.000 0.806 101 A HN 0.218 nan 8.150 nan 0.000 0.448 102 A N -0.573 122.259 122.820 0.021 0.000 2.218 102 A HA 0.071 4.389 4.320 -0.003 0.000 0.209 102 A C 1.062 178.649 177.584 0.006 0.000 1.168 102 A CA 0.221 52.264 52.037 0.011 0.000 0.804 102 A CB -0.344 18.665 19.000 0.015 0.000 0.834 102 A HN 0.375 nan 8.150 nan 0.000 0.482 103 N N 1.384 120.094 118.700 0.017 0.000 2.663 103 N HA 0.038 4.777 4.740 -0.003 0.000 0.250 103 N C 1.068 176.546 175.510 -0.055 0.000 1.129 103 N CA 0.818 53.868 53.050 0.001 0.000 0.995 103 N CB 0.503 39.024 38.487 0.056 0.000 1.324 103 N HN 0.366 nan 8.380 nan 0.000 0.512 104 T N -1.096 113.414 114.554 -0.072 0.000 3.088 104 T HA 0.099 4.448 4.350 -0.003 0.000 0.259 104 T C 1.588 176.195 174.700 -0.155 0.000 1.122 104 T CA 0.517 62.557 62.100 -0.099 0.000 1.095 104 T CB 0.109 68.938 68.868 -0.064 0.000 0.930 104 T HN 0.250 nan 8.240 nan 0.000 0.508 105 A N 1.874 124.591 122.820 -0.172 0.000 2.119 105 A HA 0.421 4.740 4.320 -0.003 0.000 0.217 105 A C 1.411 178.781 177.584 -0.356 0.000 1.153 105 A CA 0.464 52.371 52.037 -0.217 0.000 0.692 105 A CB -0.777 18.111 19.000 -0.186 0.000 0.799 105 A HN 0.727 nan 8.150 nan 0.000 0.458 106 L N -1.404 119.511 121.223 -0.512 0.000 3.608 106 L HA -0.198 4.141 4.340 -0.003 0.000 0.422 106 L C -0.053 176.403 176.870 -0.691 0.000 1.260 106 L CA 0.773 54.970 54.840 -1.073 0.000 0.889 106 L CB -2.129 39.289 42.059 -1.069 0.000 1.821 106 L HN 0.722 nan 8.230 nan 0.000 0.884 107 E N 0.377 120.349 120.200 -0.379 0.000 2.241 107 E HA 0.571 4.920 4.350 -0.003 0.000 0.263 107 E C 0.627 177.133 176.600 -0.157 0.000 0.882 107 E CA 0.239 56.469 56.400 -0.284 0.000 0.769 107 E CB 1.913 31.349 29.700 -0.440 0.000 1.185 107 E HN 0.321 nan 8.360 nan 0.000 0.415 108 G N 2.750 111.561 108.800 0.019 0.000 2.481 108 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.230 108 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.230 108 G C -1.241 173.789 174.900 0.216 0.000 1.210 108 G CA -0.261 44.916 45.100 0.128 0.000 0.936 108 G HN 0.655 nan 8.290 nan 0.000 0.583 109 L N 2.031 123.361 121.223 0.178 0.000 2.264 109 L HA 0.803 5.141 4.340 -0.003 0.000 0.289 109 L C 0.029 177.001 176.870 0.171 0.000 1.044 109 L CA -0.679 54.236 54.840 0.124 0.000 0.807 109 L CB 0.287 42.405 42.059 0.098 0.000 1.192 109 L HN 1.098 nan 8.230 nan 0.000 0.425 110 Y N 1.755 122.057 120.300 0.003 0.000 2.715 110 Y HA 0.638 5.186 4.550 -0.003 0.000 0.331 110 Y C -0.970 174.926 175.900 -0.006 0.000 1.197 110 Y CA -1.272 56.822 58.100 -0.009 0.000 1.079 110 Y CB 0.967 39.414 38.460 -0.022 0.000 1.298 110 Y HN 0.592 nan 8.280 nan 0.000 0.477 111 Q N 1.333 121.232 119.800 0.165 0.000 2.271 111 Q HA 0.514 4.853 4.340 -0.003 0.000 0.258 111 Q C -1.306 174.728 176.000 0.056 0.000 0.936 111 Q CA -0.729 55.093 55.803 0.032 0.000 0.909 111 Q CB 1.558 30.303 28.738 0.011 0.000 1.253 111 Q HN 0.729 nan 8.270 nan 0.000 0.440 112 S N 3.212 118.916 115.700 0.008 0.000 2.667 112 S HA 0.608 5.076 4.470 -0.003 0.000 0.304 112 S C 0.381 175.041 174.600 0.100 0.000 1.135 112 S CA 0.395 58.665 58.200 0.116 0.000 1.125 112 S CB 0.266 63.657 63.200 0.318 0.000 0.996 112 S HN 1.047 nan 8.310 nan 0.000 0.474 113 G N 5.002 113.754 108.800 -0.079 0.000 2.634 113 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.318 113 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.318 113 G C 0.323 175.222 174.900 -0.001 0.000 1.207 113 G CA 0.781 45.901 45.100 0.033 0.000 0.987 113 G HN 0.638 nan 8.290 nan 0.000 0.547 114 D N 2.000 122.413 120.400 0.022 0.000 2.350 114 D HA 0.462 5.100 4.640 -0.003 0.000 0.213 114 D C 1.397 177.731 176.300 0.056 0.000 1.031 114 D CA 0.928 54.928 54.000 0.001 0.000 0.861 114 D CB 0.122 40.889 40.800 -0.055 0.000 0.926 114 D HN 0.767 nan 8.370 nan 0.000 0.520 115 A N 0.550 123.413 122.820 0.072 0.000 2.302 115 A HA 0.574 4.893 4.320 -0.003 0.000 0.285 115 A C -0.124 177.520 177.584 0.100 0.000 1.105 115 A CA -0.322 51.794 52.037 0.131 0.000 0.816 115 A CB 0.588 19.699 19.000 0.185 0.000 1.067 115 A HN 0.116 nan 8.150 nan 0.000 0.489 116 L N 1.047 122.308 121.223 0.062 0.000 2.317 116 L HA 0.605 4.943 4.340 -0.003 0.000 0.281 116 L C -0.142 176.620 176.870 -0.179 0.000 1.024 116 L CA -0.538 54.239 54.840 -0.106 0.000 0.810 116 L CB 1.375 43.317 42.059 -0.194 0.000 1.240 116 L HN 1.012 nan 8.230 nan 0.000 0.427 117 C N -0.394 118.697 119.300 -0.348 0.000 3.318 117 C HA 0.904 5.362 4.460 -0.003 0.000 0.322 117 C C 0.025 174.752 174.990 -0.438 0.000 1.398 117 C CA -0.684 58.112 59.018 -0.370 0.000 1.339 117 C CB 1.544 29.098 27.740 -0.310 0.000 1.668 117 C HN 0.854 nan 8.230 nan 0.000 0.462 118 T N -0.753 113.660 114.554 -0.235 0.000 2.912 118 T HA 0.736 5.085 4.350 -0.003 0.000 0.288 118 T C -1.032 173.752 174.700 0.139 0.000 1.030 118 T CA -0.164 61.917 62.100 -0.032 0.000 1.020 118 T CB 1.797 70.676 68.868 0.018 0.000 1.056 118 T HN 1.166 nan 8.240 nan 0.000 0.480 119 Q N 0.429 120.379 119.800 0.250 0.000 2.275 119 Q HA 0.519 4.857 4.340 -0.003 0.000 0.266 119 Q C -0.697 175.386 176.000 0.137 0.000 1.002 119 Q CA -0.656 55.258 55.803 0.186 0.000 0.761 119 Q CB 0.948 29.738 28.738 0.087 0.000 1.255 119 Q HN 0.840 nan 8.270 nan 0.000 0.446 120 C N 2.549 121.953 119.300 0.173 0.000 2.935 120 C HA 0.298 4.756 4.460 -0.003 0.000 0.308 120 C C 0.692 175.804 174.990 0.203 0.000 1.263 120 C CA -0.142 59.023 59.018 0.245 0.000 1.738 120 C CB -0.036 27.933 27.740 0.382 0.000 2.237 120 C HN 0.836 nan 8.230 nan 0.000 0.600 121 E N 0.889 121.173 120.200 0.140 0.000 2.338 121 E HA 0.383 4.731 4.350 -0.003 0.000 0.272 121 E C 0.764 177.190 176.600 -0.289 0.000 1.029 121 E CA 0.114 56.508 56.400 -0.010 0.000 0.872 121 E CB 1.078 30.790 29.700 0.020 0.000 1.015 121 E HN 0.397 nan 8.360 nan 0.000 0.417 122 A N 4.564 127.103 122.820 -0.469 0.000 1.903 122 A HA -0.025 4.294 4.320 -0.003 0.000 0.213 122 A C 0.903 178.375 177.584 -0.187 0.000 1.185 122 A CA 0.803 52.400 52.037 -0.734 0.000 0.628 122 A CB 0.154 18.358 19.000 -1.325 0.000 0.830 122 A HN 0.738 nan 8.150 nan 0.000 0.446 123 E N -0.844 119.310 120.200 -0.077 0.000 3.385 123 E HA 0.257 4.606 4.350 -0.003 0.000 0.206 123 E C 0.850 177.583 176.600 0.221 0.000 0.997 123 E CA 0.133 56.622 56.400 0.148 0.000 1.278 123 E CB 0.630 30.399 29.700 0.115 0.000 1.165 123 E HN 0.465 nan 8.360 nan 0.000 0.452 124 G N 0.171 109.092 108.800 0.202 0.000 2.603 124 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.214 124 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.214 124 G C 1.084 176.179 174.900 0.324 0.000 1.140 124 G CA -0.146 45.071 45.100 0.195 0.000 0.800 124 G HN 0.296 nan 8.290 nan 0.000 0.533 125 F N 2.784 122.866 119.950 0.221 0.000 2.216 125 F HA -0.040 4.486 4.527 -0.003 0.000 0.300 125 F C 2.767 178.654 175.800 0.144 0.000 1.085 125 F CA 1.377 59.484 58.000 0.178 0.000 1.326 125 F CB 0.099 39.194 39.000 0.158 0.000 1.027 125 F HN 0.204 nan 8.300 nan 0.000 0.497 126 R N -0.790 119.845 120.500 0.224 0.000 2.285 126 R HA -0.129 4.210 4.340 -0.003 0.000 0.213 126 R C 1.256 177.454 176.300 -0.169 0.000 1.068 126 R CA 1.634 57.751 56.100 0.029 0.000 1.004 126 R CB -1.278 29.078 30.300 0.092 0.000 0.873 126 R HN 0.424 nan 8.270 nan 0.000 0.467 127 H N -0.042 118.971 119.070 -0.094 0.000 2.547 127 H HA 0.159 4.713 4.556 -0.003 0.000 0.266 127 H C 1.439 176.669 175.328 -0.163 0.000 0.988 127 H CA 0.732 56.712 56.048 -0.113 0.000 1.147 127 H CB 0.383 30.120 29.762 -0.042 0.000 1.365 127 H HN 0.310 nan 8.280 nan 0.000 0.589 128 I N -0.940 119.515 120.570 -0.191 0.000 3.194 128 I HA 0.006 4.174 4.170 -0.003 0.000 0.271 128 I C 0.872 176.739 176.117 -0.417 0.000 1.150 128 I CA 0.477 61.612 61.300 -0.275 0.000 1.440 128 I CB 0.934 38.720 38.000 -0.357 0.000 1.276 128 I HN -0.054 nan 8.210 nan 0.000 0.457 129 T N -1.539 112.669 114.554 -0.577 0.000 2.792 129 T HA 0.395 4.743 4.350 -0.003 0.000 0.303 129 T C -1.728 172.805 174.700 -0.278 0.000 1.310 129 T CA -0.416 61.431 62.100 -0.423 0.000 1.007 129 T CB 0.860 69.497 68.868 -0.385 0.000 1.335 129 T HN -0.124 nan 8.240 nan 0.000 0.504 130 Y N 2.151 122.402 120.300 -0.082 0.000 2.496 130 Y HA 0.526 5.074 4.550 -0.003 0.000 0.334 130 Y C -0.183 175.814 175.900 0.162 0.000 1.080 130 Y CA 0.372 58.475 58.100 0.005 0.000 1.355 130 Y CB 0.179 38.608 38.460 -0.052 0.000 1.193 130 Y HN 0.544 nan 8.280 nan 0.000 0.523 131 Y N 1.367 121.789 120.300 0.203 0.000 2.670 131 Y HA 0.434 4.982 4.550 -0.003 0.000 0.334 131 Y C -1.259 174.763 175.900 0.203 0.000 1.185 131 Y CA -1.697 56.536 58.100 0.222 0.000 1.053 131 Y CB 1.240 39.951 38.460 0.418 0.000 1.298 131 Y HN 0.343 nan 8.280 nan 0.000 0.459 132 L N 3.502 124.466 121.223 -0.432 0.000 2.395 132 L HA 0.152 4.491 4.340 -0.003 0.000 0.268 132 L C -0.385 176.568 176.870 0.139 0.000 1.223 132 L CA 0.195 54.924 54.840 -0.184 0.000 1.093 132 L CB -0.362 41.509 42.059 -0.314 0.000 1.349 132 L HN 0.472 nan 8.230 nan 0.000 0.427 133 D N 4.693 125.294 120.400 0.335 0.000 2.619 133 D HA 0.123 4.761 4.640 -0.003 0.000 0.224 133 D C -0.017 176.516 176.300 0.389 0.000 1.133 133 D CA -0.182 54.102 54.000 0.473 0.000 1.017 133 D CB 0.133 41.213 40.800 0.467 0.000 1.077 133 D HN 0.443 nan 8.370 nan 0.000 0.503 134 R N 0.912 121.610 120.500 0.330 0.000 2.566 134 R HA 0.391 4.729 4.340 -0.003 0.000 0.271 134 R C -2.599 173.795 176.300 0.157 0.000 1.071 134 R CA -1.392 54.848 56.100 0.233 0.000 0.915 134 R CB 1.254 31.657 30.300 0.173 0.000 1.228 134 R HN -0.196 nan 8.270 nan 0.000 0.449 135 P HA -0.096 nan 4.420 nan 0.000 0.237 135 P C -0.105 177.199 177.300 0.006 0.000 1.178 135 P CA 0.824 63.913 63.100 -0.019 0.000 0.766 135 P CB 0.182 31.620 31.700 -0.436 0.000 0.876 136 D N -0.679 119.735 120.400 0.024 0.000 2.340 136 D HA 0.002 4.640 4.640 -0.003 0.000 0.220 136 D C 0.304 176.651 176.300 0.078 0.000 1.039 136 D CA -0.159 53.876 54.000 0.059 0.000 0.866 136 D CB -0.504 40.369 40.800 0.121 0.000 0.913 136 D HN -0.009 nan 8.370 nan 0.000 0.523 137 V N 1.535 121.507 119.914 0.095 0.000 2.304 137 V HA 0.244 4.362 4.120 -0.003 0.000 0.269 137 V C -0.385 175.790 176.094 0.135 0.000 1.036 137 V CA -0.681 61.675 62.300 0.094 0.000 0.840 137 V CB 0.870 32.729 31.823 0.059 0.000 1.036 137 V HN 0.017 nan 8.190 nan 0.000 0.466 138 L N 4.902 126.193 121.223 0.113 0.000 2.307 138 L HA 0.880 5.218 4.340 -0.003 0.000 0.284 138 L C 0.271 177.227 176.870 0.143 0.000 1.023 138 L CA 0.201 55.120 54.840 0.132 0.000 0.810 138 L CB 1.696 43.810 42.059 0.091 0.000 1.231 138 L HN 0.697 nan 8.230 nan 0.000 0.423 139 A N 3.206 126.155 122.820 0.215 0.000 2.515 139 A HA 0.817 5.136 4.320 -0.003 0.000 0.296 139 A C -0.776 176.944 177.584 0.226 0.000 1.094 139 A CA -0.837 51.289 52.037 0.149 0.000 0.718 139 A CB 1.287 20.321 19.000 0.058 0.000 1.307 139 A HN 0.631 nan 8.150 nan 0.000 0.408 140 R N 0.484 121.055 120.500 0.117 0.000 2.234 140 R HA 0.447 4.785 4.340 -0.003 0.000 0.324 140 R C -1.532 174.858 176.300 0.150 0.000 1.054 140 R CA 0.126 56.323 56.100 0.163 0.000 0.912 140 R CB 0.428 30.770 30.300 0.070 0.000 1.030 140 R HN 0.514 nan 8.270 nan 0.000 0.455 141 F N 0.901 120.880 119.950 0.049 0.000 2.404 141 F HA 0.289 4.814 4.527 -0.003 0.000 0.339 141 F C 0.977 176.846 175.800 0.114 0.000 1.105 141 F CA -0.351 57.695 58.000 0.077 0.000 1.087 141 F CB 2.023 41.092 39.000 0.115 0.000 1.143 141 F HN 0.319 nan 8.300 nan 0.000 0.491 142 T N 0.574 115.284 114.554 0.259 0.000 2.886 142 T HA 0.661 5.010 4.350 -0.003 0.000 0.292 142 T C -0.863 174.024 174.700 0.310 0.000 1.012 142 T CA -0.497 61.766 62.100 0.272 0.000 0.982 142 T CB 1.248 70.223 68.868 0.178 0.000 1.018 142 T HN 0.516 nan 8.240 nan 0.000 0.451 143 T N 4.256 119.051 114.554 0.402 0.000 2.847 143 T HA 0.463 4.812 4.350 -0.003 0.000 0.291 143 T C -0.676 174.295 174.700 0.452 0.000 0.998 143 T CA -0.757 61.631 62.100 0.480 0.000 0.967 143 T CB 1.220 70.444 68.868 0.593 0.000 0.954 143 T HN 0.728 nan 8.240 nan 0.000 0.441 144 K N 4.072 124.695 120.400 0.372 0.000 2.185 144 K HA 0.660 4.979 4.320 -0.003 0.000 0.269 144 K C -1.101 175.719 176.600 0.367 0.000 0.987 144 K CA -0.723 55.763 56.287 0.331 0.000 0.865 144 K CB 0.758 33.350 32.500 0.153 0.000 1.090 144 K HN 0.561 nan 8.250 nan 0.000 0.450 145 I N 5.821 126.605 120.570 0.357 0.000 2.466 145 I HA 0.371 4.539 4.170 -0.003 0.000 0.289 145 I C -0.638 175.620 176.117 0.235 0.000 1.026 145 I CA -0.846 60.624 61.300 0.283 0.000 1.078 145 I CB 1.792 39.911 38.000 0.197 0.000 1.249 145 I HN 0.479 nan 8.210 nan 0.000 0.429 146 I N 5.506 126.192 120.570 0.194 0.000 2.436 146 I HA 0.841 5.009 4.170 -0.003 0.000 0.289 146 I C -0.106 176.105 176.117 0.157 0.000 1.010 146 I CA -0.297 61.115 61.300 0.186 0.000 1.098 146 I CB 1.907 39.990 38.000 0.139 0.000 1.266 146 I HN 0.714 nan 8.210 nan 0.000 0.434 147 A N 3.793 126.736 122.820 0.205 0.000 2.599 147 A HA 0.447 4.765 4.320 -0.003 0.000 0.290 147 A C -1.543 176.271 177.584 0.384 0.000 1.101 147 A CA -0.704 51.491 52.037 0.264 0.000 0.674 147 A CB 1.289 20.421 19.000 0.219 0.000 1.277 147 A HN 0.698 nan 8.150 nan 0.000 0.419 148 D N 0.448 121.078 120.400 0.385 0.000 2.434 148 D HA 0.134 4.773 4.640 -0.003 0.000 0.252 148 D C 1.064 177.498 176.300 0.223 0.000 1.185 148 D CA 0.536 54.692 54.000 0.261 0.000 0.886 148 D CB 0.736 41.639 40.800 0.171 0.000 1.148 148 D HN 0.511 nan 8.370 nan 0.000 0.483 149 K N 3.354 123.785 120.400 0.052 0.000 2.097 149 K HA -0.094 4.224 4.320 -0.003 0.000 0.205 149 K C 1.664 178.149 176.600 -0.193 0.000 1.050 149 K CA 0.821 56.943 56.287 -0.276 0.000 0.938 149 K CB 0.059 32.281 32.500 -0.464 0.000 0.718 149 K HN 0.600 nan 8.250 nan 0.000 0.442 150 I N 0.696 121.191 120.570 -0.126 0.000 2.233 150 I HA -0.247 3.921 4.170 -0.003 0.000 0.243 150 I C 2.492 178.506 176.117 -0.172 0.000 1.093 150 I CA 1.147 62.368 61.300 -0.131 0.000 1.380 150 I CB -0.113 37.827 38.000 -0.100 0.000 1.067 150 I HN 0.136 nan 8.210 nan 0.000 0.413 151 K N 0.284 120.534 120.400 -0.250 0.000 2.062 151 K HA -0.116 4.202 4.320 -0.003 0.000 0.205 151 K C -0.115 176.114 176.600 -0.617 0.000 1.051 151 K CA 1.245 57.207 56.287 -0.541 0.000 0.941 151 K CB 0.203 32.197 32.500 -0.843 0.000 0.719 151 K HN 0.196 nan 8.250 nan 0.000 0.440 152 Y N 0.054 120.382 120.300 0.046 0.000 2.562 152 Y HA 0.257 4.805 4.550 -0.003 0.000 0.363 152 Y C -2.110 173.900 175.900 0.182 0.000 0.991 152 Y CA -2.535 55.633 58.100 0.114 0.000 1.121 152 Y CB 1.220 39.767 38.460 0.146 0.000 1.159 152 Y HN 0.122 nan 8.280 nan 0.000 0.651 153 P HA -0.089 nan 4.420 nan 0.000 0.225 153 P C -0.198 177.068 177.300 -0.056 0.000 1.156 153 P CA 1.002 64.072 63.100 -0.050 0.000 0.787 153 P CB 0.271 31.822 31.700 -0.248 0.000 0.802 154 F N 0.538 120.690 119.950 0.335 0.000 2.404 154 F HA 0.378 4.904 4.527 -0.003 0.000 0.354 154 F C 0.617 176.585 175.800 0.280 0.000 1.122 154 F CA -0.752 57.457 58.000 0.347 0.000 1.080 154 F CB 1.105 40.375 39.000 0.449 0.000 1.131 154 F HN -0.338 nan 8.300 nan 0.000 0.471 155 L N 5.881 127.327 121.223 0.373 0.000 2.345 155 L HA 0.548 4.886 4.340 -0.003 0.000 0.274 155 L C -0.970 176.083 176.870 0.305 0.000 0.999 155 L CA -0.405 54.581 54.840 0.242 0.000 0.849 155 L CB 1.266 43.422 42.059 0.160 0.000 1.220 155 L HN 0.506 nan 8.230 nan 0.000 0.422 156 L N 2.069 123.246 121.223 -0.078 0.000 2.346 156 L HA 0.744 5.083 4.340 -0.003 0.000 0.274 156 L C -0.037 176.231 176.870 -1.002 0.000 1.007 156 L CA -0.276 54.197 54.840 -0.613 0.000 0.818 156 L CB 2.099 43.764 42.059 -0.657 0.000 1.284 156 L HN 0.568 nan 8.230 nan 0.000 0.424 157 S N 0.825 115.393 115.700 -1.887 0.000 2.794 157 S HA 0.483 4.951 4.470 -0.003 0.000 0.299 157 S C -1.021 172.957 174.600 -1.036 0.000 1.179 157 S CA -0.803 56.698 58.200 -1.165 0.000 0.838 157 S CB 1.476 64.308 63.200 -0.614 0.000 1.206 157 S HN 0.712 nan 8.310 nan 0.000 0.523 158 N N 0.900 119.260 118.700 -0.566 0.000 2.454 158 N HA 0.508 5.246 4.740 -0.003 0.000 0.254 158 N C 0.687 176.171 175.510 -0.043 0.000 1.228 158 N CA 1.188 54.040 53.050 -0.329 0.000 0.900 158 N CB 0.477 38.803 38.487 -0.268 0.000 1.089 158 N HN 1.055 nan 8.380 nan 0.000 0.449 159 G N 1.184 110.011 108.800 0.045 0.000 2.513 159 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.227 159 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.227 159 G C -1.042 174.122 174.900 0.440 0.000 1.176 159 G CA -0.642 44.592 45.100 0.224 0.000 0.967 159 G HN 0.611 nan 8.290 nan 0.000 0.587 160 N N 0.679 119.622 118.700 0.405 0.000 2.319 160 N HA 0.525 5.263 4.740 -0.003 0.000 0.305 160 N C -0.142 175.358 175.510 -0.017 0.000 1.103 160 N CA -0.646 52.557 53.050 0.255 0.000 0.815 160 N CB 1.662 40.220 38.487 0.118 0.000 1.288 160 N HN 0.569 nan 8.380 nan 0.000 0.493 161 R N 0.760 120.965 120.500 -0.491 0.000 2.401 161 R HA 0.135 4.474 4.340 -0.003 0.000 0.299 161 R C 1.132 177.220 176.300 -0.353 0.000 1.064 161 R CA -0.116 55.490 56.100 -0.823 0.000 1.000 161 R CB 0.545 30.336 30.300 -0.847 0.000 0.973 161 R HN 0.462 nan 8.270 nan 0.000 0.438 162 V N -0.662 119.095 119.914 -0.261 0.000 3.604 162 V HA 0.527 4.646 4.120 -0.003 0.000 0.277 162 V C 0.278 176.323 176.094 -0.081 0.000 1.399 162 V CA 0.384 62.619 62.300 -0.108 0.000 1.034 162 V CB 0.498 32.308 31.823 -0.021 0.000 0.824 162 V HN 0.662 nan 8.190 nan 0.000 0.439 163 A N 0.853 123.598 122.820 -0.124 0.000 2.605 163 A HA 0.808 5.126 4.320 -0.003 0.000 0.294 163 A C -1.355 176.013 177.584 -0.360 0.000 1.062 163 A CA -0.418 51.558 52.037 -0.103 0.000 0.682 163 A CB 1.595 20.711 19.000 0.194 0.000 1.278 163 A HN 0.651 nan 8.150 nan 0.000 0.410 164 Q N 0.524 119.920 119.800 -0.674 0.000 2.472 164 Q HA 0.714 5.052 4.340 -0.003 0.000 0.281 164 Q C -0.437 174.786 176.000 -1.294 0.000 0.997 164 Q CA -0.693 54.500 55.803 -1.016 0.000 0.828 164 Q CB 1.963 30.384 28.738 -0.528 0.000 1.443 164 Q HN 1.888 nan 8.270 nan 0.000 0.390 165 G N 0.741 108.546 108.800 -1.658 0.000 2.677 165 G HA2 0.517 4.475 3.960 -0.003 0.000 0.291 165 G HA3 0.517 4.475 3.960 -0.003 0.000 0.291 165 G C -1.575 173.026 174.900 -0.498 0.000 1.435 165 G CA -0.587 43.906 45.100 -1.011 0.000 0.826 165 G HN 0.456 nan 8.290 nan 0.000 0.491 166 E N -0.214 119.942 120.200 -0.074 0.000 2.227 166 E HA 0.645 4.993 4.350 -0.003 0.000 0.268 166 E C -0.674 176.039 176.600 0.189 0.000 0.907 166 E CA -0.579 55.867 56.400 0.076 0.000 0.786 166 E CB 2.703 32.422 29.700 0.033 0.000 1.191 166 E HN 0.303 nan 8.360 nan 0.000 0.411 167 L N 0.593 121.938 121.223 0.203 0.000 2.257 167 L HA 0.359 4.697 4.340 -0.003 0.000 0.257 167 L C 0.507 177.448 176.870 0.118 0.000 1.033 167 L CA -1.035 53.916 54.840 0.185 0.000 0.835 167 L CB 1.482 43.674 42.059 0.221 0.000 1.398 167 L HN 0.570 nan 8.230 nan 0.000 0.429 168 E N -0.431 119.825 120.200 0.093 0.000 2.391 168 E HA 0.135 4.484 4.350 -0.003 0.000 0.255 168 E C -0.577 176.063 176.600 0.067 0.000 1.187 168 E CA -0.544 55.896 56.400 0.066 0.000 0.941 168 E CB 0.225 29.956 29.700 0.052 0.000 1.010 168 E HN 0.588 nan 8.360 nan 0.000 0.458 169 N N -0.013 118.717 118.700 0.050 0.000 2.747 169 N HA -0.192 4.547 4.740 -0.003 0.000 0.249 169 N C 0.601 176.142 175.510 0.052 0.000 1.107 169 N CA 1.200 54.278 53.050 0.046 0.000 0.707 169 N CB -1.684 36.832 38.487 0.049 0.000 1.054 169 N HN 1.047 nan 8.380 nan 0.000 0.555 170 G N -0.599 108.229 108.800 0.047 0.000 2.179 170 G HA2 -0.375 3.584 3.960 -0.003 0.000 0.257 170 G HA3 -0.375 3.584 3.960 -0.003 0.000 0.257 170 G C 0.171 175.113 174.900 0.069 0.000 1.010 170 G CA 0.870 45.991 45.100 0.035 0.000 0.736 170 G HN 0.616 nan 8.290 nan 0.000 0.513 171 R N -0.447 120.125 120.500 0.120 0.000 2.643 171 R HA 0.757 5.096 4.340 -0.003 0.000 0.272 171 R C 0.523 176.996 176.300 0.289 0.000 0.995 171 R CA -0.251 55.973 56.100 0.207 0.000 1.032 171 R CB 1.008 31.426 30.300 0.197 0.000 1.126 171 R HN 0.786 nan 8.270 nan 0.000 0.505 172 H N -1.367 117.793 119.070 0.150 0.000 2.960 172 H HA 0.634 5.188 4.556 -0.003 0.000 0.338 172 H C -1.471 174.009 175.328 0.255 0.000 1.261 172 H CA -1.204 54.925 56.048 0.134 0.000 1.136 172 H CB 1.758 31.528 29.762 0.014 0.000 1.875 172 H HN 0.681 nan 8.280 nan 0.000 0.550 173 W N 0.497 121.721 121.300 -0.128 0.000 3.167 173 W HA 0.659 5.318 4.660 -0.003 0.000 0.324 173 W C -2.491 173.939 176.519 -0.148 0.000 1.230 173 W CA -1.196 56.055 57.345 -0.157 0.000 1.184 173 W CB 0.867 30.311 29.460 -0.028 0.000 1.414 173 W HN 0.540 nan 8.180 nan 0.000 0.551 174 V N 1.733 121.733 119.914 0.144 0.000 2.841 174 V HA 0.371 4.490 4.120 -0.003 0.000 0.310 174 V C -0.699 175.547 176.094 0.253 0.000 1.090 174 V CA -0.704 61.589 62.300 -0.012 0.000 0.930 174 V CB 1.880 33.673 31.823 -0.050 0.000 1.014 174 V HN 0.631 nan 8.190 nan 0.000 0.425 175 Q N 1.864 121.737 119.800 0.121 0.000 2.337 175 Q HA 0.533 4.871 4.340 -0.003 0.000 0.266 175 Q C -2.064 173.895 176.000 -0.068 0.000 1.023 175 Q CA -0.555 55.370 55.803 0.203 0.000 0.829 175 Q CB 2.119 31.047 28.738 0.316 0.000 1.306 175 Q HN 0.708 nan 8.270 nan 0.000 0.449 176 W N 1.829 123.216 121.300 0.144 0.000 2.689 176 W HA 0.470 5.128 4.660 -0.003 0.000 0.340 176 W C -0.507 176.084 176.519 0.120 0.000 1.060 176 W CA -0.467 56.942 57.345 0.106 0.000 1.218 176 W CB 1.884 31.393 29.460 0.081 0.000 1.410 176 W HN 0.522 nan 8.180 nan 0.000 0.528 177 Q N 2.018 122.007 119.800 0.315 0.000 2.323 177 Q HA 0.257 4.596 4.340 -0.003 0.000 0.271 177 Q C -1.728 174.400 176.000 0.213 0.000 1.048 177 Q CA -0.618 55.323 55.803 0.230 0.000 0.792 177 Q CB 1.999 30.818 28.738 0.135 0.000 1.280 177 Q HN 0.362 nan 8.270 nan 0.000 0.441 178 D N 4.721 125.237 120.400 0.193 0.000 2.440 178 D HA 0.297 4.935 4.640 -0.003 0.000 0.239 178 D C -1.857 174.503 176.300 0.100 0.000 1.084 178 D CA -2.171 51.919 54.000 0.150 0.000 0.843 178 D CB 1.828 42.703 40.800 0.125 0.000 1.097 178 D HN 0.347 nan 8.370 nan 0.000 0.531 179 P HA 0.009 nan 4.420 nan 0.000 0.225 179 P C 0.153 177.310 177.300 -0.238 0.000 1.156 179 P CA 0.194 63.198 63.100 -0.160 0.000 0.787 179 P CB 0.068 31.572 31.700 -0.327 0.000 0.802 180 F N 1.952 121.886 119.950 -0.026 0.000 2.424 180 F HA 0.331 4.856 4.527 -0.003 0.000 0.356 180 F C -1.734 174.057 175.800 -0.014 0.000 1.110 180 F CA -2.589 55.380 58.000 -0.052 0.000 1.161 180 F CB -0.197 38.729 39.000 -0.123 0.000 1.115 180 F HN -0.207 nan 8.300 nan 0.000 0.507 181 P HA 0.055 nan 4.420 nan 0.000 0.264 181 P C -1.109 176.261 177.300 0.116 0.000 1.183 181 P CA -0.050 63.136 63.100 0.143 0.000 0.763 181 P CB 0.389 32.151 31.700 0.104 0.000 0.807 182 K N 3.059 123.534 120.400 0.126 0.000 2.508 182 K HA 0.643 4.961 4.320 -0.003 0.000 0.260 182 K C -3.142 173.489 176.600 0.052 0.000 0.949 182 K CA -2.476 53.806 56.287 -0.008 0.000 0.834 182 K CB 1.871 34.260 32.500 -0.186 0.000 1.365 182 K HN 0.086 nan 8.250 nan 0.000 0.437 183 P HA 0.002 nan 4.420 nan 0.000 0.274 183 P C 0.974 178.228 177.300 -0.076 0.000 1.237 183 P CA -0.550 62.577 63.100 0.046 0.000 0.793 183 P CB 0.768 32.519 31.700 0.085 0.000 0.977 184 C N 0.206 119.543 119.300 0.060 0.000 2.437 184 C HA -0.086 4.372 4.460 -0.003 0.000 0.283 184 C C 2.614 177.547 174.990 -0.095 0.000 1.424 184 C CA 0.254 59.120 59.018 -0.253 0.000 1.782 184 C CB -2.623 24.734 27.740 -0.638 0.000 1.833 184 C HN 0.638 nan 8.230 nan 0.000 0.532 185 Y N 1.113 121.486 120.300 0.122 0.000 2.483 185 Y HA 0.193 4.741 4.550 -0.003 0.000 0.291 185 Y C 1.772 177.726 175.900 0.090 0.000 1.143 185 Y CA 0.782 59.004 58.100 0.203 0.000 1.289 185 Y CB -0.807 37.904 38.460 0.419 0.000 0.983 185 Y HN 0.280 nan 8.280 nan 0.000 0.556 186 L N -0.271 120.641 121.223 -0.518 0.000 2.592 186 L HA 0.131 4.470 4.340 -0.003 0.000 0.227 186 L C 0.321 176.972 176.870 -0.365 0.000 1.127 186 L CA -0.427 54.124 54.840 -0.481 0.000 0.884 186 L CB -0.237 41.443 42.059 -0.630 0.000 1.065 186 L HN 0.198 nan 8.230 nan 0.000 0.457 187 F N 1.773 121.434 119.950 -0.481 0.000 2.529 187 F HA 0.421 4.946 4.527 -0.003 0.000 0.365 187 F C 0.399 176.070 175.800 -0.216 0.000 1.102 187 F CA -0.677 57.044 58.000 -0.464 0.000 1.271 187 F CB 0.447 39.184 39.000 -0.438 0.000 1.120 187 F HN -0.106 nan 8.300 nan 0.000 0.579 188 A N 7.045 129.099 122.820 -1.275 0.000 2.539 188 A HA 0.756 5.075 4.320 -0.003 0.000 0.296 188 A C -2.051 174.760 177.584 -1.289 0.000 1.073 188 A CA -0.781 50.648 52.037 -1.013 0.000 0.700 188 A CB 1.543 20.205 19.000 -0.563 0.000 1.296 188 A HN 0.993 nan 8.150 nan 0.000 0.405 189 L N 1.726 122.455 121.223 -0.823 0.000 2.431 189 L HA 0.842 5.181 4.340 -0.003 0.000 0.266 189 L C -1.794 174.808 176.870 -0.446 0.000 0.978 189 L CA -0.653 53.801 54.840 -0.642 0.000 0.822 189 L CB 2.147 43.846 42.059 -0.601 0.000 1.310 189 L HN 0.547 nan 8.230 nan 0.000 0.409 190 V N 3.481 123.157 119.914 -0.398 0.000 2.760 190 V HA 0.896 5.015 4.120 -0.003 0.000 0.309 190 V C -0.562 175.463 176.094 -0.115 0.000 1.077 190 V CA -0.298 61.849 62.300 -0.255 0.000 0.910 190 V CB 1.765 33.391 31.823 -0.329 0.000 1.008 190 V HN 0.879 nan 8.190 nan 0.000 0.424 191 A N 2.830 125.654 122.820 0.008 0.000 2.398 191 A HA 1.051 5.369 4.320 -0.003 0.000 0.301 191 A C -0.056 177.754 177.584 0.377 0.000 1.041 191 A CA 0.128 52.242 52.037 0.129 0.000 0.711 191 A CB 1.893 20.765 19.000 -0.213 0.000 1.240 191 A HN 1.766 nan 8.150 nan 0.000 0.420 192 G N 0.387 109.478 108.800 0.485 0.000 2.323 192 G HA2 0.456 4.414 3.960 -0.003 0.000 0.291 192 G HA3 0.456 4.414 3.960 -0.003 0.000 0.291 192 G C -2.245 172.593 174.900 -0.103 0.000 1.278 192 G CA -0.283 44.878 45.100 0.102 0.000 0.860 192 G HN 0.810 nan 8.290 nan 0.000 0.504 193 D N -0.555 119.542 120.400 -0.506 0.000 2.308 193 D HA 0.748 5.387 4.640 -0.003 0.000 0.242 193 D C -1.063 174.909 176.300 -0.547 0.000 1.059 193 D CA -0.205 53.678 54.000 -0.195 0.000 0.830 193 D CB 1.005 41.745 40.800 -0.100 0.000 1.161 193 D HN 0.220 nan 8.370 nan 0.000 0.494 194 F N 0.923 121.015 119.950 0.236 0.000 2.613 194 F HA 0.340 4.865 4.527 -0.003 0.000 0.314 194 F C 0.271 176.055 175.800 -0.027 0.000 1.075 194 F CA -1.062 56.949 58.000 0.018 0.000 0.945 194 F CB 1.476 40.424 39.000 -0.086 0.000 1.310 194 F HN 0.079 nan 8.300 nan 0.000 0.467 195 D N 1.099 121.588 120.400 0.149 0.000 2.304 195 D HA 0.535 5.173 4.640 -0.003 0.000 0.247 195 D C -0.842 175.389 176.300 -0.116 0.000 1.089 195 D CA 0.150 54.170 54.000 0.032 0.000 0.910 195 D CB 1.948 42.763 40.800 0.026 0.000 1.199 195 D HN 0.149 nan 8.370 nan 0.000 0.426 196 V N 2.787 122.578 119.914 -0.206 0.000 2.525 196 V HA 0.217 4.336 4.120 -0.003 0.000 0.299 196 V C -0.357 175.574 176.094 -0.271 0.000 1.034 196 V CA -0.945 61.097 62.300 -0.430 0.000 0.863 196 V CB 1.794 33.222 31.823 -0.658 0.000 0.999 196 V HN 0.299 nan 8.190 nan 0.000 0.423 197 L N 6.357 127.419 121.223 -0.268 0.000 2.260 197 L HA 0.587 4.925 4.340 -0.003 0.000 0.289 197 L C 0.138 176.901 176.870 -0.179 0.000 1.057 197 L CA 0.281 55.017 54.840 -0.173 0.000 0.811 197 L CB 0.573 42.550 42.059 -0.136 0.000 1.184 197 L HN 0.608 nan 8.230 nan 0.000 0.429 198 R N 3.887 124.315 120.500 -0.119 0.000 2.445 198 R HA 0.600 4.938 4.340 -0.003 0.000 0.308 198 R C -1.103 175.168 176.300 -0.049 0.000 0.961 198 R CA -0.780 55.269 56.100 -0.086 0.000 0.862 198 R CB 1.697 31.963 30.300 -0.057 0.000 1.144 198 R HN 0.605 nan 8.270 nan 0.000 0.447 199 D N 0.079 120.459 120.400 -0.034 0.000 2.825 199 D HA 0.448 5.087 4.640 -0.003 0.000 0.327 199 D C -1.178 175.131 176.300 0.016 0.000 1.277 199 D CA -0.245 53.747 54.000 -0.013 0.000 0.950 199 D CB 2.569 43.352 40.800 -0.028 0.000 1.438 199 D HN 0.371 nan 8.370 nan 0.000 0.526 200 T N 0.429 115.004 114.554 0.035 0.000 2.916 200 T HA 0.544 4.892 4.350 -0.003 0.000 0.305 200 T C -1.344 173.428 174.700 0.120 0.000 1.119 200 T CA -0.466 61.675 62.100 0.068 0.000 1.008 200 T CB 1.147 70.040 68.868 0.042 0.000 1.129 200 T HN 0.255 nan 8.240 nan 0.000 0.480 201 F N 1.788 121.726 119.950 -0.020 0.000 2.547 201 F HA 0.571 5.097 4.527 -0.003 0.000 0.316 201 F C -0.448 175.365 175.800 0.020 0.000 1.121 201 F CA -0.363 57.622 58.000 -0.026 0.000 0.911 201 F CB 1.763 40.715 39.000 -0.080 0.000 1.179 201 F HN 0.450 nan 8.300 nan 0.000 0.443 202 T N 4.196 118.411 114.554 -0.565 0.000 2.749 202 T HA 0.331 4.679 4.350 -0.003 0.000 0.287 202 T C 0.164 174.572 174.700 -0.486 0.000 0.970 202 T CA -0.516 61.381 62.100 -0.338 0.000 0.980 202 T CB 0.863 69.593 68.868 -0.230 0.000 0.924 202 T HN 0.753 nan 8.240 nan 0.000 0.456 203 T N 0.881 115.414 114.554 -0.036 0.000 2.748 203 T HA 0.147 4.496 4.350 -0.003 0.000 0.304 203 T C 1.517 176.239 174.700 0.036 0.000 1.041 203 T CA -0.665 61.525 62.100 0.150 0.000 1.033 203 T CB 0.580 69.616 68.868 0.280 0.000 0.995 203 T HN 0.634 nan 8.240 nan 0.000 0.536 204 R N 0.528 121.086 120.500 0.095 0.000 2.237 204 R HA 0.035 4.374 4.340 -0.003 0.000 0.219 204 R C 2.007 178.330 176.300 0.037 0.000 1.080 204 R CA 1.339 57.467 56.100 0.046 0.000 0.995 204 R CB -0.749 29.590 30.300 0.065 0.000 0.875 204 R HN 0.659 nan 8.270 nan 0.000 0.462 205 S N -1.378 114.357 115.700 0.059 0.000 2.556 205 S HA 0.315 4.784 4.470 -0.003 0.000 0.216 205 S C 1.349 175.974 174.600 0.041 0.000 0.970 205 S CA -0.138 58.092 58.200 0.049 0.000 0.912 205 S CB 0.494 63.731 63.200 0.062 0.000 0.790 205 S HN 0.633 nan 8.310 nan 0.000 0.504 206 G N 1.467 110.288 108.800 0.035 0.000 2.163 206 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.213 206 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.213 206 G C 0.007 174.933 174.900 0.044 0.000 0.991 206 G CA -0.212 44.901 45.100 0.022 0.000 0.653 206 G HN 0.669 nan 8.290 nan 0.000 0.518 207 R N 1.156 121.705 120.500 0.082 0.000 2.370 207 R HA 0.387 4.725 4.340 -0.003 0.000 0.309 207 R C 0.141 176.515 176.300 0.122 0.000 1.059 207 R CA -0.134 56.034 56.100 0.114 0.000 0.981 207 R CB 0.286 30.681 30.300 0.158 0.000 0.972 207 R HN 0.403 nan 8.270 nan 0.000 0.437 208 E N 3.850 124.113 120.200 0.105 0.000 2.229 208 E HA 0.173 4.522 4.350 -0.003 0.000 0.283 208 E C -1.196 175.504 176.600 0.167 0.000 1.030 208 E CA -0.617 55.845 56.400 0.104 0.000 0.836 208 E CB 1.146 30.886 29.700 0.067 0.000 1.068 208 E HN 0.321 nan 8.360 nan 0.000 0.401 209 V N 3.519 123.561 119.914 0.213 0.000 2.417 209 V HA 0.443 4.561 4.120 -0.003 0.000 0.291 209 V C 0.062 176.273 176.094 0.196 0.000 1.024 209 V CA -0.898 61.564 62.300 0.269 0.000 0.861 209 V CB 1.330 33.382 31.823 0.381 0.000 0.985 209 V HN 0.812 nan 8.190 nan 0.000 0.436 210 A N 6.570 129.500 122.820 0.183 0.000 2.409 210 A HA 0.695 5.013 4.320 -0.003 0.000 0.267 210 A C -0.375 177.288 177.584 0.131 0.000 1.127 210 A CA -0.184 51.934 52.037 0.136 0.000 0.795 210 A CB -0.045 19.035 19.000 0.133 0.000 1.061 210 A HN 0.821 nan 8.150 nan 0.000 0.502 211 L N 2.727 123.992 121.223 0.071 0.000 2.296 211 L HA 0.506 4.844 4.340 -0.003 0.000 0.286 211 L C -0.102 176.763 176.870 -0.009 0.000 1.023 211 L CA -0.158 54.698 54.840 0.027 0.000 0.812 211 L CB 1.397 43.426 42.059 -0.050 0.000 1.223 211 L HN 0.741 nan 8.230 nan 0.000 0.421 212 E N 3.744 123.942 120.200 -0.004 0.000 2.265 212 E HA 0.387 4.735 4.350 -0.003 0.000 0.262 212 E C -1.501 175.001 176.600 -0.164 0.000 0.889 212 E CA -0.758 55.570 56.400 -0.119 0.000 0.789 212 E CB 2.976 32.648 29.700 -0.047 0.000 1.221 212 E HN 0.215 nan 8.360 nan 0.000 0.414 213 L N 4.011 125.058 121.223 -0.294 0.000 2.298 213 L HA 0.399 4.737 4.340 -0.003 0.000 0.284 213 L C -1.735 174.903 176.870 -0.387 0.000 1.013 213 L CA -0.564 54.123 54.840 -0.255 0.000 0.824 213 L CB 0.200 42.125 42.059 -0.223 0.000 1.221 213 L HN 0.437 nan 8.230 nan 0.000 0.418 214 Y N 4.979 125.080 120.300 -0.330 0.000 2.341 214 Y HA 0.602 5.150 4.550 -0.003 0.000 0.340 214 Y C 0.345 176.057 175.900 -0.312 0.000 0.997 214 Y CA -0.503 57.332 58.100 -0.441 0.000 1.149 214 Y CB 1.535 39.475 38.460 -0.867 0.000 1.171 214 Y HN 0.514 nan 8.280 nan 0.000 0.494 215 V N -0.848 119.068 119.914 0.005 0.000 3.040 215 V HA 0.551 4.670 4.120 -0.003 0.000 0.312 215 V C -0.556 175.698 176.094 0.267 0.000 1.115 215 V CA -1.297 61.062 62.300 0.099 0.000 0.998 215 V CB 1.949 33.780 31.823 0.013 0.000 1.042 215 V HN 0.484 nan 8.190 nan 0.000 0.433 216 D N 2.050 122.589 120.400 0.231 0.000 2.449 216 D HA 0.144 4.783 4.640 -0.003 0.000 0.236 216 D C 0.424 176.786 176.300 0.104 0.000 1.149 216 D CA 0.225 54.329 54.000 0.175 0.000 0.878 216 D CB 0.385 41.254 40.800 0.116 0.000 1.198 216 D HN 0.440 nan 8.370 nan 0.000 0.446 217 R N 1.039 121.579 120.500 0.065 0.000 2.494 217 R HA 0.210 4.549 4.340 -0.003 0.000 0.291 217 R C 1.285 177.606 176.300 0.035 0.000 0.953 217 R CA 0.806 56.934 56.100 0.046 0.000 1.098 217 R CB -0.430 29.885 30.300 0.025 0.000 0.911 217 R HN 0.808 nan 8.270 nan 0.000 0.407 218 G N 2.771 111.589 108.800 0.030 0.000 2.179 218 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.220 218 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.220 218 G C 0.506 175.419 174.900 0.020 0.000 0.990 218 G CA 0.198 45.311 45.100 0.021 0.000 0.646 218 G HN 0.643 nan 8.290 nan 0.000 0.517 219 N N -0.086 118.628 118.700 0.024 0.000 2.203 219 N HA 0.393 5.132 4.740 -0.003 0.000 0.207 219 N C 1.943 177.456 175.510 0.004 0.000 1.130 219 N CA -0.245 52.815 53.050 0.016 0.000 0.861 219 N CB 0.197 38.697 38.487 0.022 0.000 1.005 219 N HN 0.357 nan 8.380 nan 0.000 0.507 220 L N 1.091 122.315 121.223 0.002 0.000 2.187 220 L HA -0.200 4.138 4.340 -0.003 0.000 0.213 220 L C 1.765 178.634 176.870 -0.001 0.000 1.100 220 L CA 1.063 55.897 54.840 -0.010 0.000 0.765 220 L CB -0.390 41.662 42.059 -0.012 0.000 0.904 220 L HN 0.395 nan 8.230 nan 0.000 0.437 221 D N -0.137 120.268 120.400 0.008 0.000 2.351 221 D HA -0.213 4.426 4.640 -0.003 0.000 0.216 221 D C 1.695 178.010 176.300 0.024 0.000 0.968 221 D CA 0.993 55.004 54.000 0.018 0.000 0.899 221 D CB -0.157 40.655 40.800 0.020 0.000 0.907 221 D HN 0.308 nan 8.370 nan 0.000 0.514 222 R N -0.549 119.958 120.500 0.012 0.000 2.472 222 R HA 0.440 4.779 4.340 -0.003 0.000 0.279 222 R C 1.264 177.569 176.300 0.009 0.000 0.953 222 R CA 0.401 56.506 56.100 0.008 0.000 1.088 222 R CB 0.823 31.114 30.300 -0.015 0.000 1.197 222 R HN 0.188 nan 8.270 nan 0.000 0.536 223 A N 1.510 124.333 122.820 0.004 0.000 2.014 223 A HA 0.172 4.490 4.320 -0.003 0.000 0.210 223 A C -0.886 176.695 177.584 -0.005 0.000 1.188 223 A CA 0.160 52.182 52.037 -0.024 0.000 0.731 223 A CB -0.435 18.528 19.000 -0.061 0.000 0.858 223 A HN 0.021 nan 8.150 nan 0.000 0.464 224 P HA -0.214 nan 4.420 nan 0.000 0.216 224 P C 1.521 178.892 177.300 0.119 0.000 1.150 224 P CA 1.175 64.311 63.100 0.061 0.000 0.843 224 P CB -0.226 31.528 31.700 0.090 0.000 0.787 225 W N 0.626 121.935 121.300 0.015 0.000 2.381 225 W HA -0.156 4.502 4.660 -0.002 0.000 0.301 225 W C 1.947 178.462 176.519 -0.007 0.000 1.205 225 W CA 1.328 58.705 57.345 0.052 0.000 1.285 225 W CB -0.468 29.082 29.460 0.150 0.000 1.133 225 W HN -0.085 nan 8.180 nan 0.000 0.521 226 A N 0.975 123.684 122.820 -0.185 0.000 1.902 226 A HA -0.281 4.038 4.320 -0.003 0.000 0.217 226 A C 1.874 179.233 177.584 -0.374 0.000 1.181 226 A CA 2.191 54.021 52.037 -0.345 0.000 0.623 226 A CB -1.019 17.836 19.000 -0.242 0.000 0.818 226 A HN 0.391 nan 8.150 nan 0.000 0.443 227 M N 0.034 119.478 119.600 -0.260 0.000 2.086 227 M HA -0.106 4.373 4.480 -0.003 0.000 0.261 227 M C 2.009 178.150 176.300 -0.264 0.000 1.067 227 M CA 2.527 57.683 55.300 -0.241 0.000 1.116 227 M CB -1.078 31.433 32.600 -0.148 0.000 1.348 227 M HN 0.362 nan 8.290 nan 0.000 0.407 228 T N -0.118 114.286 114.554 -0.249 0.000 2.720 228 T HA -0.121 4.227 4.350 -0.003 0.000 0.268 228 T C 1.902 176.365 174.700 -0.394 0.000 1.037 228 T CA 1.894 63.846 62.100 -0.247 0.000 1.144 228 T CB -0.467 68.318 68.868 -0.137 0.000 0.864 228 T HN 0.453 nan 8.240 nan 0.000 0.444 229 S N 1.154 116.463 115.700 -0.653 0.000 2.382 229 S HA -0.025 4.444 4.470 -0.003 0.000 0.228 229 S C 1.911 176.268 174.600 -0.404 0.000 1.027 229 S CA 0.574 58.431 58.200 -0.572 0.000 0.991 229 S CB -0.450 62.310 63.200 -0.732 0.000 0.823 229 S HN 0.263 nan 8.310 nan 0.000 0.469 230 L N 2.127 123.067 121.223 -0.471 0.000 1.994 230 L HA -0.073 4.265 4.340 -0.003 0.000 0.208 230 L C 1.965 178.436 176.870 -0.666 0.000 1.071 230 L CA 1.854 56.333 54.840 -0.601 0.000 0.745 230 L CB -0.589 41.115 42.059 -0.592 0.000 0.892 230 L HN 0.109 nan 8.230 nan 0.000 0.431 231 K N -0.564 119.556 120.400 -0.466 0.000 2.063 231 K HA -0.163 4.156 4.320 -0.003 0.000 0.208 231 K C 1.916 178.340 176.600 -0.294 0.000 1.048 231 K CA 1.463 57.517 56.287 -0.387 0.000 0.928 231 K CB -0.385 32.078 32.500 -0.062 0.000 0.713 231 K HN 0.380 nan 8.250 nan 0.000 0.442 232 N N 0.773 119.382 118.700 -0.152 0.000 2.104 232 N HA -0.144 4.595 4.740 -0.003 0.000 0.190 232 N C 1.922 177.495 175.510 0.105 0.000 1.024 232 N CA 1.806 54.895 53.050 0.065 0.000 0.853 232 N CB -0.355 38.217 38.487 0.142 0.000 1.008 232 N HN 0.244 nan 8.380 nan 0.000 0.424 233 S N 0.004 115.550 115.700 -0.256 0.000 2.406 233 S HA 0.002 4.470 4.470 -0.003 0.000 0.228 233 S C 2.023 176.381 174.600 -0.404 0.000 1.020 233 S CA 0.546 58.403 58.200 -0.572 0.000 0.965 233 S CB -0.203 62.381 63.200 -1.026 0.000 0.798 233 S HN 0.183 nan 8.310 nan 0.000 0.488 234 M N 0.981 120.056 119.600 -0.874 0.000 2.099 234 M HA 0.009 4.487 4.480 -0.003 0.000 0.262 234 M C 2.466 178.608 176.300 -0.263 0.000 1.067 234 M CA 1.736 56.469 55.300 -0.945 0.000 1.124 234 M CB -0.358 31.188 32.600 -1.757 0.000 1.353 234 M HN 0.253 nan 8.290 nan 0.000 0.410 235 K N -0.057 120.279 120.400 -0.107 0.000 2.057 235 K HA -0.214 4.104 4.320 -0.003 0.000 0.207 235 K C 1.639 178.408 176.600 0.282 0.000 1.049 235 K CA 1.680 58.129 56.287 0.269 0.000 0.931 235 K CB -0.577 32.121 32.500 0.329 0.000 0.714 235 K HN 0.457 nan 8.250 nan 0.000 0.440 236 W N 1.253 122.643 121.300 0.150 0.000 2.381 236 W HA -0.135 4.524 4.660 -0.002 0.000 0.301 236 W C 1.592 178.224 176.519 0.188 0.000 1.205 236 W CA 1.773 59.247 57.345 0.215 0.000 1.285 236 W CB -0.370 29.327 29.460 0.394 0.000 1.133 236 W HN 0.179 nan 8.180 nan 0.000 0.521 237 D N 0.204 120.802 120.400 0.329 0.000 2.178 237 D HA -0.187 4.451 4.640 -0.003 0.000 0.201 237 D C 1.864 178.169 176.300 0.008 0.000 0.980 237 D CA 1.553 55.615 54.000 0.104 0.000 0.842 237 D CB -0.168 40.918 40.800 0.477 0.000 0.948 237 D HN 0.374 nan 8.370 nan 0.000 0.472 238 E N 0.152 120.406 120.200 0.090 0.000 2.031 238 E HA -0.163 4.186 4.350 -0.003 0.000 0.193 238 E C 2.095 178.675 176.600 -0.033 0.000 0.994 238 E CA 0.899 57.335 56.400 0.061 0.000 0.800 238 E CB -0.016 29.773 29.700 0.147 0.000 0.752 238 E HN 0.429 nan 8.360 nan 0.000 0.447 239 E N 0.259 120.421 120.200 -0.063 0.000 2.047 239 E HA -0.194 4.155 4.350 -0.003 0.000 0.191 239 E C 2.213 178.669 176.600 -0.240 0.000 0.987 239 E CA 0.914 57.248 56.400 -0.109 0.000 0.799 239 E CB 0.006 29.675 29.700 -0.051 0.000 0.752 239 E HN -0.055 nan 8.360 nan 0.000 0.449 240 R N -0.098 120.109 120.500 -0.489 0.000 2.066 240 R HA 0.013 4.351 4.340 -0.003 0.000 0.224 240 R C 1.367 177.341 176.300 -0.545 0.000 1.122 240 R CA 1.244 56.973 56.100 -0.617 0.000 0.974 240 R CB -0.085 29.508 30.300 -1.178 0.000 0.871 240 R HN 0.096 nan 8.270 nan 0.000 0.435 241 F N -1.001 118.688 119.950 -0.435 0.000 2.704 241 F HA 0.346 4.872 4.527 -0.003 0.000 0.304 241 F C 1.166 176.858 175.800 -0.181 0.000 1.094 241 F CA 0.370 58.233 58.000 -0.229 0.000 1.275 241 F CB 1.120 39.997 39.000 -0.205 0.000 1.073 241 F HN 0.283 nan 8.300 nan 0.000 0.586 242 G N 1.842 110.609 108.800 -0.055 0.000 2.221 242 G HA2 -0.297 3.662 3.960 -0.003 0.000 0.265 242 G HA3 -0.297 3.662 3.960 -0.003 0.000 0.265 242 G C -0.210 174.606 174.900 -0.139 0.000 1.041 242 G CA -0.059 44.996 45.100 -0.075 0.000 0.807 242 G HN 0.281 nan 8.290 nan 0.000 0.502 243 L N -0.175 120.962 121.223 -0.143 0.000 2.322 243 L HA 0.612 4.950 4.340 -0.003 0.000 0.281 243 L C 0.354 177.235 176.870 0.018 0.000 1.014 243 L CA -0.777 53.865 54.840 -0.330 0.000 0.815 243 L CB 1.636 43.349 42.059 -0.576 0.000 1.247 243 L HN 0.167 nan 8.230 nan 0.000 0.421 244 E N 1.239 121.518 120.200 0.131 0.000 2.221 244 E HA 0.268 4.617 4.350 -0.003 0.000 0.268 244 E C -1.317 175.620 176.600 0.562 0.000 0.933 244 E CA -0.921 55.688 56.400 0.348 0.000 0.809 244 E CB 2.404 32.265 29.700 0.268 0.000 1.190 244 E HN 0.309 nan 8.360 nan 0.000 0.406 245 Y N 2.464 123.015 120.300 0.419 0.000 2.550 245 Y HA -0.068 4.481 4.550 -0.003 0.000 0.343 245 Y C 0.818 176.875 175.900 0.262 0.000 1.245 245 Y CA 0.440 58.753 58.100 0.355 0.000 1.462 245 Y CB 0.584 39.276 38.460 0.386 0.000 1.340 245 Y HN 0.537 nan 8.280 nan 0.000 0.604 246 D N 2.351 122.420 120.400 -0.552 0.000 2.500 246 D HA 0.142 4.780 4.640 -0.003 0.000 0.217 246 D C -0.335 175.790 176.300 -0.291 0.000 1.159 246 D CA 0.247 54.060 54.000 -0.311 0.000 0.828 246 D CB -0.151 40.421 40.800 -0.380 0.000 1.039 246 D HN 0.406 nan 8.370 nan 0.000 0.512 247 L N -0.013 120.785 121.223 -0.709 0.000 2.235 247 L HA 0.394 4.733 4.340 -0.003 0.000 0.260 247 L C 0.548 177.465 176.870 0.077 0.000 1.025 247 L CA -0.854 53.846 54.840 -0.233 0.000 0.836 247 L CB 2.058 44.005 42.059 -0.187 0.000 1.395 247 L HN -0.276 nan 8.230 nan 0.000 0.443 248 D N 0.186 120.702 120.400 0.192 0.000 2.327 248 D HA 0.235 4.873 4.640 -0.003 0.000 0.205 248 D C 0.079 176.559 176.300 0.300 0.000 0.989 248 D CA 1.009 55.148 54.000 0.231 0.000 0.873 248 D CB 1.316 42.211 40.800 0.158 0.000 0.955 248 D HN 0.194 nan 8.370 nan 0.000 0.515 249 I N -0.206 120.579 120.570 0.359 0.000 2.647 249 I HA 0.286 4.454 4.170 -0.003 0.000 0.295 249 I C -1.419 174.924 176.117 0.376 0.000 1.078 249 I CA -1.115 60.380 61.300 0.323 0.000 1.048 249 I CB 2.669 40.831 38.000 0.270 0.000 1.239 249 I HN -0.229 nan 8.210 nan 0.000 0.421 250 Y N 5.932 126.298 120.300 0.110 0.000 2.332 250 Y HA 0.601 5.149 4.550 -0.003 0.000 0.326 250 Y C -0.785 175.092 175.900 -0.038 0.000 0.978 250 Y CA -0.649 57.421 58.100 -0.050 0.000 1.205 250 Y CB 1.442 39.696 38.460 -0.344 0.000 1.131 250 Y HN 0.459 nan 8.280 nan 0.000 0.462 251 M N 6.961 126.509 119.600 -0.088 0.000 2.336 251 M HA 0.536 5.015 4.480 -0.003 0.000 0.342 251 M C -1.182 175.072 176.300 -0.077 0.000 1.128 251 M CA -0.454 54.842 55.300 -0.006 0.000 1.016 251 M CB 1.842 34.400 32.600 -0.071 0.000 1.665 251 M HN 0.475 nan 8.290 nan 0.000 0.445 252 I N 2.443 123.002 120.570 -0.018 0.000 2.498 252 I HA 0.515 4.683 4.170 -0.003 0.000 0.290 252 I C -1.019 175.020 176.117 -0.129 0.000 1.032 252 I CA -1.014 60.215 61.300 -0.118 0.000 1.073 252 I CB 2.284 40.114 38.000 -0.284 0.000 1.251 252 I HN 0.324 nan 8.210 nan 0.000 0.426 253 V N 4.981 124.786 119.914 -0.182 0.000 2.448 253 V HA 0.579 4.698 4.120 -0.003 0.000 0.295 253 V C 0.205 176.202 176.094 -0.160 0.000 1.025 253 V CA -0.653 61.496 62.300 -0.252 0.000 0.859 253 V CB 1.676 33.246 31.823 -0.421 0.000 0.988 253 V HN 0.814 nan 8.190 nan 0.000 0.431 254 A N 5.221 127.965 122.820 -0.126 0.000 2.269 254 A HA 0.758 5.076 4.320 -0.003 0.000 0.302 254 A C -0.217 177.374 177.584 0.012 0.000 1.266 254 A CA -0.389 51.620 52.037 -0.048 0.000 0.894 254 A CB 0.690 19.666 19.000 -0.041 0.000 1.147 254 A HN 1.313 nan 8.150 nan 0.000 0.537 255 V N 0.297 120.217 119.914 0.009 0.000 2.715 255 V HA 0.535 4.653 4.120 -0.003 0.000 0.310 255 V C -0.007 176.160 176.094 0.122 0.000 1.054 255 V CA -0.668 61.699 62.300 0.111 0.000 0.928 255 V CB 1.891 33.801 31.823 0.144 0.000 1.007 255 V HN 0.666 nan 8.190 nan 0.000 0.437 256 D N 1.904 122.404 120.400 0.167 0.000 2.289 256 D HA 0.134 4.772 4.640 -0.003 0.000 0.207 256 D C 0.068 176.272 176.300 -0.160 0.000 0.966 256 D CA 1.494 55.481 54.000 -0.022 0.000 0.868 256 D CB 0.002 40.743 40.800 -0.098 0.000 0.943 256 D HN 0.604 nan 8.370 nan 0.000 0.514 257 F N 0.359 120.432 119.950 0.206 0.000 2.332 257 F HA 0.388 4.914 4.527 -0.003 0.000 0.368 257 F C -0.441 175.596 175.800 0.395 0.000 1.110 257 F CA -0.872 57.268 58.000 0.234 0.000 1.087 257 F CB 0.802 39.946 39.000 0.239 0.000 1.235 257 F HN -0.336 nan 8.300 nan 0.000 0.470 258 F N 2.942 122.984 119.950 0.153 0.000 2.639 258 F HA 0.304 4.829 4.527 -0.003 0.000 0.320 258 F C 0.264 176.064 175.800 0.001 0.000 1.128 258 F CA -0.867 57.201 58.000 0.113 0.000 1.037 258 F CB 1.237 40.307 39.000 0.118 0.000 1.288 258 F HN 0.190 nan 8.300 nan 0.000 0.463 259 N N 3.530 121.968 118.700 -0.438 0.000 2.270 259 N HA 0.011 4.749 4.740 -0.003 0.000 0.181 259 N C 0.555 175.932 175.510 -0.221 0.000 1.016 259 N CA 1.218 54.080 53.050 -0.312 0.000 0.870 259 N CB 0.103 38.360 38.487 -0.383 0.000 0.979 259 N HN 0.447 nan 8.380 nan 0.000 0.431 260 M N -1.673 117.747 119.600 -0.301 0.000 2.544 260 M HA 0.397 4.876 4.480 -0.003 0.000 0.239 260 M C 1.777 178.272 176.300 0.325 0.000 1.030 260 M CA -0.481 54.794 55.300 -0.042 0.000 1.193 260 M CB -0.632 31.899 32.600 -0.114 0.000 1.346 260 M HN -0.081 nan 8.290 nan 0.000 0.651 261 G N -0.277 108.706 108.800 0.305 0.000 2.447 261 G HA2 0.463 4.421 3.960 -0.003 0.000 0.211 261 G HA3 0.463 4.421 3.960 -0.003 0.000 0.211 261 G C 0.133 175.159 174.900 0.210 0.000 1.184 261 G CA 0.814 46.152 45.100 0.396 0.000 0.813 261 G HN 0.905 nan 8.290 nan 0.000 0.540 262 A N -1.785 121.056 122.820 0.036 0.000 2.566 262 A HA 0.711 5.029 4.320 -0.003 0.000 0.290 262 A C -1.800 175.722 177.584 -0.103 0.000 1.071 262 A CA -0.460 51.327 52.037 -0.417 0.000 0.658 262 A CB 1.406 19.562 19.000 -1.406 0.000 1.285 262 A HN 0.517 nan 8.150 nan 0.000 0.427 263 M N 1.173 120.687 119.600 -0.144 0.000 2.324 263 M HA 0.428 4.907 4.480 -0.003 0.000 0.288 263 M C -0.061 176.262 176.300 0.037 0.000 1.097 263 M CA -0.314 55.032 55.300 0.078 0.000 0.928 263 M CB 1.988 34.735 32.600 0.244 0.000 1.648 263 M HN 0.738 nan 8.290 nan 0.000 0.460 264 E N 2.615 122.855 120.200 0.067 0.000 2.301 264 E HA 0.065 4.414 4.350 -0.003 0.000 0.195 264 E C -0.955 175.615 176.600 -0.050 0.000 1.171 264 E CA -0.093 56.339 56.400 0.054 0.000 1.142 264 E CB -0.818 28.932 29.700 0.083 0.000 1.218 264 E HN 0.692 nan 8.360 nan 0.000 0.448 265 N N 2.281 120.930 118.700 -0.085 0.000 2.356 265 N HA -0.081 4.657 4.740 -0.003 0.000 0.252 265 N C 0.076 175.440 175.510 -0.243 0.000 1.241 265 N CA 0.318 53.254 53.050 -0.191 0.000 0.861 265 N CB 0.534 38.881 38.487 -0.232 0.000 1.075 265 N HN 0.121 nan 8.380 nan 0.000 0.461 266 K N 1.285 121.521 120.400 -0.273 0.000 2.430 266 K HA 0.052 4.370 4.320 -0.003 0.000 0.280 266 K C 1.154 177.600 176.600 -0.256 0.000 1.063 266 K CA 0.905 57.040 56.287 -0.253 0.000 1.071 266 K CB -0.588 31.764 32.500 -0.246 0.000 0.899 266 K HN 0.724 nan 8.250 nan 0.000 0.473 267 G N 3.107 111.741 108.800 -0.277 0.000 2.189 267 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.267 267 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.267 267 G C -0.181 174.473 174.900 -0.409 0.000 0.975 267 G CA 0.556 45.479 45.100 -0.294 0.000 0.644 267 G HN 0.649 nan 8.290 nan 0.000 0.537 268 L N 1.125 122.102 121.223 -0.411 0.000 2.448 268 L HA 0.449 4.788 4.340 -0.003 0.000 0.257 268 L C -0.172 176.522 176.870 -0.293 0.000 1.504 268 L CA -1.062 53.546 54.840 -0.387 0.000 0.852 268 L CB -0.153 41.624 42.059 -0.469 0.000 1.051 268 L HN 0.253 nan 8.230 nan 0.000 0.518 269 N N 3.355 121.929 118.700 -0.209 0.000 2.518 269 N HA 0.455 5.193 4.740 -0.003 0.000 0.266 269 N C -0.750 174.779 175.510 0.032 0.000 1.196 269 N CA -0.118 52.936 53.050 0.006 0.000 0.947 269 N CB 1.182 39.861 38.487 0.320 0.000 1.098 269 N HN 0.404 nan 8.380 nan 0.000 0.450 270 I N 2.496 123.078 120.570 0.020 0.000 2.406 270 I HA 0.338 4.507 4.170 -0.003 0.000 0.290 270 I C -0.988 174.990 176.117 -0.232 0.000 0.999 270 I CA -0.521 60.730 61.300 -0.082 0.000 1.124 270 I CB 0.907 38.838 38.000 -0.114 0.000 1.289 270 I HN 0.307 nan 8.210 nan 0.000 0.441 271 F N 4.329 123.985 119.950 -0.490 0.000 2.495 271 F HA 0.355 4.880 4.527 -0.003 0.000 0.327 271 F C 0.590 176.056 175.800 -0.558 0.000 1.103 271 F CA -0.878 56.841 58.000 -0.468 0.000 0.949 271 F CB 1.334 40.223 39.000 -0.185 0.000 1.142 271 F HN 0.392 nan 8.300 nan 0.000 0.457 272 N N 1.261 119.734 118.700 -0.379 0.000 2.412 272 N HA -0.074 4.664 4.740 -0.003 0.000 0.258 272 N C 0.831 176.348 175.510 0.012 0.000 1.236 272 N CA 0.510 53.509 53.050 -0.085 0.000 0.882 272 N CB 1.102 39.643 38.487 0.090 0.000 1.066 272 N HN 0.604 nan 8.380 nan 0.000 0.465 273 S N 3.173 118.865 115.700 -0.014 0.000 2.465 273 S HA -0.195 4.274 4.470 -0.003 0.000 0.241 273 S C 1.613 176.179 174.600 -0.056 0.000 1.000 273 S CA 1.116 59.306 58.200 -0.016 0.000 0.964 273 S CB -0.090 63.097 63.200 -0.022 0.000 0.763 273 S HN 0.790 nan 8.310 nan 0.000 0.512 274 K N 0.166 120.480 120.400 -0.143 0.000 2.211 274 K HA -0.097 4.222 4.320 -0.003 0.000 0.203 274 K C 0.495 176.929 176.600 -0.277 0.000 1.050 274 K CA 1.258 57.374 56.287 -0.285 0.000 0.945 274 K CB -0.294 31.920 32.500 -0.477 0.000 0.732 274 K HN 0.350 nan 8.250 nan 0.000 0.451 275 Y N 0.542 120.892 120.300 0.084 0.000 2.607 275 Y HA 0.220 4.769 4.550 -0.002 0.000 0.266 275 Y C 1.174 177.179 175.900 0.175 0.000 1.178 275 Y CA -0.631 57.561 58.100 0.154 0.000 1.226 275 Y CB 0.905 39.483 38.460 0.197 0.000 1.144 275 Y HN -0.116 nan 8.280 nan 0.000 0.528 276 V N -1.673 118.334 119.914 0.156 0.000 3.102 276 V HA 0.116 4.235 4.120 -0.003 0.000 0.225 276 V C 0.483 176.569 176.094 -0.013 0.000 1.301 276 V CA -0.092 62.212 62.300 0.007 0.000 1.308 276 V CB 0.364 32.136 31.823 -0.085 0.000 1.129 276 V HN -0.085 nan 8.190 nan 0.000 0.502 277 L N 1.912 123.116 121.223 -0.031 0.000 2.313 277 L HA 0.692 5.030 4.340 -0.003 0.000 0.282 277 L C -0.153 176.655 176.870 -0.103 0.000 1.092 277 L CA 0.143 54.950 54.840 -0.054 0.000 0.831 277 L CB 0.744 42.771 42.059 -0.054 0.000 1.159 277 L HN 0.324 nan 8.230 nan 0.000 0.442 278 A N 4.806 127.558 122.820 -0.113 0.000 2.517 278 A HA 0.819 5.137 4.320 -0.003 0.000 0.297 278 A C -0.934 176.577 177.584 -0.120 0.000 1.050 278 A CA -0.650 51.231 52.037 -0.260 0.000 0.694 278 A CB 1.919 20.526 19.000 -0.656 0.000 1.277 278 A HN 0.748 nan 8.150 nan 0.000 0.400 279 R N 0.223 120.669 120.500 -0.089 0.000 2.774 279 R HA 0.545 4.883 4.340 -0.003 0.000 0.272 279 R C 1.289 177.633 176.300 0.073 0.000 1.000 279 R CA 0.186 56.311 56.100 0.042 0.000 0.906 279 R CB 1.734 32.043 30.300 0.014 0.000 1.227 279 R HN 0.909 nan 8.270 nan 0.000 0.468 280 T N -2.190 112.421 114.554 0.096 0.000 2.962 280 T HA -0.139 4.210 4.350 -0.003 0.000 0.270 280 T C 1.019 175.625 174.700 -0.157 0.000 1.088 280 T CA 1.557 63.638 62.100 -0.032 0.000 1.127 280 T CB -0.188 68.594 68.868 -0.144 0.000 0.883 280 T HN 0.716 nan 8.240 nan 0.000 0.493 281 D N 1.499 121.852 120.400 -0.079 0.000 2.349 281 D HA -0.025 4.614 4.640 -0.003 0.000 0.215 281 D C 1.829 178.020 176.300 -0.181 0.000 1.016 281 D CA 1.084 55.050 54.000 -0.056 0.000 0.870 281 D CB -0.490 40.370 40.800 0.099 0.000 0.917 281 D HN 0.641 nan 8.370 nan 0.000 0.524 282 T N -3.444 110.965 114.554 -0.242 0.000 2.969 282 T HA 0.543 4.891 4.350 -0.003 0.000 0.250 282 T C 0.750 175.257 174.700 -0.321 0.000 1.021 282 T CA 0.105 61.936 62.100 -0.447 0.000 1.003 282 T CB 0.403 69.053 68.868 -0.363 0.000 1.040 282 T HN 0.224 nan 8.240 nan 0.000 0.492 283 A N 1.971 124.671 122.820 -0.198 0.000 2.386 283 A HA 0.741 5.060 4.320 -0.003 0.000 0.311 283 A C 0.282 177.860 177.584 -0.010 0.000 1.068 283 A CA -0.625 51.314 52.037 -0.163 0.000 0.743 283 A CB 1.407 20.197 19.000 -0.350 0.000 1.258 283 A HN 0.468 nan 8.150 nan 0.000 0.429 284 T N -1.023 113.541 114.554 0.017 0.000 2.862 284 T HA 0.325 4.673 4.350 -0.003 0.000 0.276 284 T C 0.336 175.174 174.700 0.230 0.000 0.974 284 T CA -0.117 62.036 62.100 0.089 0.000 0.966 284 T CB 0.636 69.532 68.868 0.047 0.000 1.072 284 T HN 0.454 nan 8.240 nan 0.000 0.538 285 D N 0.015 120.525 120.400 0.184 0.000 2.133 285 D HA -0.146 4.493 4.640 -0.003 0.000 0.195 285 D C 1.869 178.250 176.300 0.135 0.000 0.997 285 D CA 1.407 55.487 54.000 0.133 0.000 0.840 285 D CB -0.165 40.662 40.800 0.044 0.000 0.947 285 D HN 0.703 nan 8.370 nan 0.000 0.452 286 K N 0.625 121.087 120.400 0.102 0.000 2.032 286 K HA -0.173 4.145 4.320 -0.003 0.000 0.209 286 K C 1.430 178.101 176.600 0.118 0.000 1.048 286 K CA 1.446 57.789 56.287 0.092 0.000 0.927 286 K CB 0.070 32.609 32.500 0.065 0.000 0.712 286 K HN -0.026 nan 8.250 nan 0.000 0.441 287 D N -0.086 120.369 120.400 0.092 0.000 2.104 287 D HA -0.185 4.454 4.640 -0.003 0.000 0.194 287 D C 1.919 178.267 176.300 0.079 0.000 0.994 287 D CA 1.346 55.375 54.000 0.048 0.000 0.830 287 D CB -0.494 40.260 40.800 -0.076 0.000 0.959 287 D HN 0.304 nan 8.370 nan 0.000 0.452 288 Y N 0.882 121.195 120.300 0.021 0.000 2.128 288 Y HA -0.117 4.431 4.550 -0.003 0.000 0.284 288 Y C 2.554 178.628 175.900 0.291 0.000 1.154 288 Y CA 0.844 58.933 58.100 -0.018 0.000 1.149 288 Y CB -0.367 37.812 38.460 -0.469 0.000 0.976 288 Y HN -0.055 nan 8.280 nan 0.000 0.505 289 L N -0.708 120.704 121.223 0.314 0.000 2.156 289 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 289 L C 1.740 178.752 176.870 0.236 0.000 1.095 289 L CA 0.962 55.964 54.840 0.271 0.000 0.770 289 L CB -0.420 41.735 42.059 0.160 0.000 0.914 289 L HN 0.188 nan 8.230 nan 0.000 0.439 290 D N 0.392 120.929 120.400 0.227 0.000 2.144 290 D HA -0.106 4.533 4.640 -0.003 0.000 0.200 290 D C 2.300 178.750 176.300 0.250 0.000 0.978 290 D CA 1.138 55.269 54.000 0.218 0.000 0.833 290 D CB 0.026 41.009 40.800 0.305 0.000 0.961 290 D HN 0.273 nan 8.370 nan 0.000 0.470 291 I N 1.066 121.840 120.570 0.340 0.000 2.179 291 I HA -0.244 3.925 4.170 -0.003 0.000 0.242 291 I C 2.468 178.709 176.117 0.206 0.000 1.088 291 I CA 1.105 62.596 61.300 0.318 0.000 1.357 291 I CB -0.171 38.038 38.000 0.347 0.000 1.051 291 I HN 0.018 nan 8.210 nan 0.000 0.409 292 E N 1.333 121.699 120.200 0.277 0.000 2.058 292 E HA -0.317 4.031 4.350 -0.003 0.000 0.194 292 E C 2.397 179.131 176.600 0.224 0.000 0.997 292 E CA 1.537 58.042 56.400 0.175 0.000 0.801 292 E CB -0.091 29.761 29.700 0.254 0.000 0.746 292 E HN 0.322 nan 8.360 nan 0.000 0.450 293 R N 0.075 120.682 120.500 0.178 0.000 2.083 293 R HA -0.143 4.196 4.340 -0.003 0.000 0.237 293 R C 2.230 178.588 176.300 0.097 0.000 1.137 293 R CA 1.821 58.014 56.100 0.155 0.000 0.951 293 R CB -0.179 30.163 30.300 0.070 0.000 0.851 293 R HN 0.144 nan 8.270 nan 0.000 0.434 294 V N 1.151 121.067 119.914 0.003 0.000 2.407 294 V HA -0.176 3.943 4.120 -0.003 0.000 0.245 294 V C 2.455 178.624 176.094 0.125 0.000 1.041 294 V CA 1.096 63.344 62.300 -0.087 0.000 1.040 294 V CB -0.318 31.231 31.823 -0.456 0.000 0.671 294 V HN 0.312 nan 8.190 nan 0.000 0.455 295 I N 1.330 122.031 120.570 0.218 0.000 2.151 295 I HA -0.230 3.939 4.170 -0.003 0.000 0.243 295 I C 2.634 178.675 176.117 -0.125 0.000 1.080 295 I CA 2.258 63.648 61.300 0.150 0.000 1.339 295 I CB -1.715 36.217 38.000 -0.114 0.000 1.039 295 I HN 0.410 nan 8.210 nan 0.000 0.409 296 G N -0.379 108.247 108.800 -0.290 0.000 2.459 296 G HA2 -0.343 3.615 3.960 -0.003 0.000 0.217 296 G HA3 -0.343 3.615 3.960 -0.003 0.000 0.217 296 G C 1.605 175.860 174.900 -1.074 0.000 1.183 296 G CA 1.404 45.902 45.100 -1.003 0.000 0.776 296 G HN 0.459 nan 8.290 nan 0.000 0.552 297 H N 0.789 119.628 119.070 -0.384 0.000 2.265 297 H HA -0.114 4.440 4.556 -0.002 0.000 0.293 297 H C 2.589 177.818 175.328 -0.164 0.000 1.089 297 H CA 2.281 58.228 56.048 -0.168 0.000 1.244 297 H CB 0.157 29.885 29.762 -0.057 0.000 1.355 297 H HN 0.270 nan 8.280 nan 0.000 0.485 298 E N -0.324 119.937 120.200 0.102 0.000 2.110 298 E HA -0.204 4.145 4.350 -0.003 0.000 0.193 298 E C 2.136 178.814 176.600 0.129 0.000 0.988 298 E CA 1.063 57.589 56.400 0.210 0.000 0.804 298 E CB -0.811 29.033 29.700 0.239 0.000 0.745 298 E HN 0.639 nan 8.360 nan 0.000 0.458 299 Y N 0.871 121.085 120.300 -0.144 0.000 2.181 299 Y HA -0.235 4.313 4.550 -0.003 0.000 0.288 299 Y C 1.950 177.811 175.900 -0.066 0.000 1.146 299 Y CA 1.386 59.371 58.100 -0.190 0.000 1.164 299 Y CB -0.327 37.792 38.460 -0.567 0.000 0.982 299 Y HN -0.112 nan 8.280 nan 0.000 0.515 300 F N -0.740 119.128 119.950 -0.136 0.000 2.269 300 F HA -0.178 4.347 4.527 -0.003 0.000 0.301 300 F C 2.475 178.177 175.800 -0.164 0.000 1.082 300 F CA 1.221 59.111 58.000 -0.184 0.000 1.360 300 F CB -1.288 37.606 39.000 -0.177 0.000 1.041 300 F HN 0.223 nan 8.300 nan 0.000 0.512 301 H N -0.205 118.857 119.070 -0.013 0.000 2.489 301 H HA -0.129 4.425 4.556 -0.003 0.000 0.293 301 H C 2.002 177.301 175.328 -0.049 0.000 1.066 301 H CA 1.085 57.129 56.048 -0.008 0.000 1.305 301 H CB -0.550 29.215 29.762 0.004 0.000 1.386 301 H HN 0.234 nan 8.280 nan 0.000 0.551 302 N N -0.015 118.662 118.700 -0.039 0.000 2.137 302 N HA -0.192 4.546 4.740 -0.003 0.000 0.190 302 N C 1.552 176.821 175.510 -0.402 0.000 1.017 302 N CA 1.571 54.482 53.050 -0.233 0.000 0.859 302 N CB -0.133 38.176 38.487 -0.297 0.000 1.002 302 N HN 0.280 nan 8.380 nan 0.000 0.428 303 W N -0.447 120.794 121.300 -0.098 0.000 2.644 303 W HA 0.223 4.881 4.660 -0.003 0.000 0.279 303 W C 0.737 177.380 176.519 0.206 0.000 1.164 303 W CA 0.749 58.050 57.345 -0.074 0.000 1.457 303 W CB -0.585 28.715 29.460 -0.266 0.000 1.087 303 W HN -0.048 nan 8.180 nan 0.000 0.573 304 T N -1.200 113.627 114.554 0.454 0.000 3.579 304 T HA 0.631 4.979 4.350 -0.003 0.000 0.328 304 T C 0.647 175.577 174.700 0.384 0.000 1.481 304 T CA 0.254 62.618 62.100 0.440 0.000 1.144 304 T CB 0.037 69.089 68.868 0.307 0.000 1.205 304 T HN 0.336 nan 8.240 nan 0.000 0.812 305 G N 3.036 112.024 108.800 0.314 0.000 3.675 305 G HA2 -0.181 3.778 3.960 -0.003 0.000 0.206 305 G HA3 -0.181 3.778 3.960 -0.003 0.000 0.206 305 G C 0.791 175.764 174.900 0.121 0.000 1.086 305 G CA -0.150 45.101 45.100 0.253 0.000 0.894 305 G HN 0.492 nan 8.290 nan 0.000 0.412 306 N N 0.500 119.207 118.700 0.012 0.000 2.517 306 N HA 0.170 4.908 4.740 -0.003 0.000 0.202 306 N C 2.062 177.450 175.510 -0.202 0.000 1.042 306 N CA 0.635 53.597 53.050 -0.147 0.000 0.952 306 N CB -0.326 38.011 38.487 -0.249 0.000 1.211 306 N HN 0.069 nan 8.380 nan 0.000 0.458 307 R N 0.657 120.956 120.500 -0.334 0.000 2.096 307 R HA 0.064 4.403 4.340 -0.003 0.000 0.235 307 R C -0.038 176.234 176.300 -0.046 0.000 1.127 307 R CA 0.567 56.453 56.100 -0.357 0.000 0.968 307 R CB -0.417 29.399 30.300 -0.806 0.000 0.861 307 R HN 0.103 nan 8.270 nan 0.000 0.440 308 V N 1.005 120.976 119.914 0.095 0.000 2.378 308 V HA 0.208 4.326 4.120 -0.003 0.000 0.288 308 V C 0.379 176.545 176.094 0.120 0.000 1.016 308 V CA -0.452 61.913 62.300 0.108 0.000 0.840 308 V CB 1.840 33.696 31.823 0.055 0.000 0.994 308 V HN 0.111 nan 8.190 nan 0.000 0.431 309 T N 3.571 118.171 114.554 0.077 0.000 2.864 309 T HA 0.427 4.775 4.350 -0.003 0.000 0.276 309 T C -0.319 174.407 174.700 0.044 0.000 1.006 309 T CA -0.292 61.865 62.100 0.095 0.000 0.970 309 T CB 1.345 70.272 68.868 0.098 0.000 1.420 309 T HN 0.691 nan 8.240 nan 0.000 0.601 310 C N 2.188 121.475 119.300 -0.022 0.000 2.319 310 C HA 0.513 4.971 4.460 -0.003 0.000 0.335 310 C C 1.955 176.818 174.990 -0.212 0.000 1.274 310 C CA -0.717 58.212 59.018 -0.147 0.000 1.806 310 C CB 0.553 28.117 27.740 -0.293 0.000 2.329 310 C HN 1.036 nan 8.230 nan 0.000 0.524 311 R N 1.368 121.756 120.500 -0.187 0.000 2.105 311 R HA -0.103 4.236 4.340 -0.003 0.000 0.239 311 R C 0.013 176.171 176.300 -0.237 0.000 1.135 311 R CA 2.061 58.038 56.100 -0.206 0.000 0.967 311 R CB 0.145 30.267 30.300 -0.297 0.000 0.861 311 R HN 1.001 nan 8.270 nan 0.000 0.442 312 D N -4.909 115.314 120.400 -0.296 0.000 2.639 312 D HA 0.052 4.691 4.640 -0.003 0.000 0.271 312 D C -0.370 175.720 176.300 -0.351 0.000 1.254 312 D CA -0.799 53.042 54.000 -0.266 0.000 0.810 312 D CB -0.471 40.355 40.800 0.045 0.000 1.351 312 D HN -0.045 nan 8.370 nan 0.000 0.427 313 W N -0.783 120.428 121.300 -0.149 0.000 2.595 313 W HA 0.102 4.761 4.660 -0.002 0.000 0.257 313 W C 1.159 177.471 176.519 -0.346 0.000 1.267 313 W CA -0.351 56.822 57.345 -0.286 0.000 1.300 313 W CB -0.241 29.017 29.460 -0.337 0.000 1.120 313 W HN 0.307 nan 8.180 nan 0.000 0.618 314 F N 0.281 120.279 119.950 0.080 0.000 2.333 314 F HA -0.184 4.341 4.527 -0.003 0.000 0.300 314 F C 2.122 177.935 175.800 0.021 0.000 1.083 314 F CA 0.926 58.933 58.000 0.011 0.000 1.395 314 F CB -0.742 38.249 39.000 -0.015 0.000 1.056 314 F HN -0.081 nan 8.300 nan 0.000 0.529 315 Q N 0.414 120.290 119.800 0.127 0.000 2.282 315 Q HA 0.068 4.406 4.340 -0.003 0.000 0.205 315 Q C 2.042 178.073 176.000 0.051 0.000 0.915 315 Q CA 0.054 55.896 55.803 0.065 0.000 0.949 315 Q CB -0.420 28.305 28.738 -0.022 0.000 1.035 315 Q HN 0.417 nan 8.270 nan 0.000 0.484 316 L N 0.712 121.982 121.223 0.079 0.000 2.051 316 L HA -0.206 4.133 4.340 -0.003 0.000 0.214 316 L C 2.170 179.044 176.870 0.008 0.000 1.076 316 L CA 1.925 56.803 54.840 0.064 0.000 0.758 316 L CB -0.838 41.213 42.059 -0.015 0.000 0.890 316 L HN 0.128 nan 8.230 nan 0.000 0.433 317 S N -1.241 114.476 115.700 0.029 0.000 2.419 317 S HA -0.167 4.301 4.470 -0.003 0.000 0.233 317 S C 1.946 176.538 174.600 -0.014 0.000 1.016 317 S CA 1.170 59.373 58.200 0.006 0.000 0.974 317 S CB -0.562 62.676 63.200 0.064 0.000 0.786 317 S HN 0.479 nan 8.310 nan 0.000 0.492 318 L N 2.438 123.664 121.223 0.006 0.000 2.051 318 L HA -0.194 4.144 4.340 -0.003 0.000 0.214 318 L C 2.155 178.964 176.870 -0.103 0.000 1.076 318 L CA 2.482 57.273 54.840 -0.083 0.000 0.758 318 L CB -0.603 41.441 42.059 -0.026 0.000 0.890 318 L HN 0.471 nan 8.230 nan 0.000 0.433 319 K N -2.562 117.844 120.400 0.009 0.000 2.202 319 K HA 0.018 4.337 4.320 -0.003 0.000 0.201 319 K C 1.711 178.359 176.600 0.080 0.000 1.051 319 K CA 0.615 56.966 56.287 0.106 0.000 0.977 319 K CB -0.303 32.334 32.500 0.228 0.000 0.792 319 K HN 0.196 nan 8.250 nan 0.000 0.469 320 E N 1.477 121.656 120.200 -0.035 0.000 2.051 320 E HA -0.033 4.316 4.350 -0.003 0.000 0.189 320 E C 2.295 178.792 176.600 -0.172 0.000 0.979 320 E CA 1.378 57.639 56.400 -0.232 0.000 0.803 320 E CB -0.553 28.683 29.700 -0.772 0.000 0.761 320 E HN 0.516 nan 8.360 nan 0.000 0.451 321 G N 1.825 110.555 108.800 -0.116 0.000 2.446 321 G HA2 -0.254 3.705 3.960 -0.003 0.000 0.217 321 G HA3 -0.254 3.705 3.960 -0.003 0.000 0.217 321 G C 1.608 176.512 174.900 0.006 0.000 1.168 321 G CA 0.973 46.051 45.100 -0.037 0.000 0.771 321 G HN 0.229 nan 8.290 nan 0.000 0.551 322 L N 0.802 121.978 121.223 -0.077 0.000 2.093 322 L HA 0.071 4.410 4.340 -0.003 0.000 0.208 322 L C 2.841 179.744 176.870 0.056 0.000 1.085 322 L CA 2.459 57.278 54.840 -0.035 0.000 0.755 322 L CB -0.863 41.045 42.059 -0.251 0.000 0.904 322 L HN 0.185 nan 8.230 nan 0.000 0.435 323 T N -1.397 113.116 114.554 -0.069 0.000 2.857 323 T HA -0.089 4.259 4.350 -0.003 0.000 0.266 323 T C 2.001 176.654 174.700 -0.078 0.000 1.048 323 T CA 1.297 63.257 62.100 -0.234 0.000 1.139 323 T CB -0.240 68.148 68.868 -0.800 0.000 0.874 323 T HN 0.162 nan 8.240 nan 0.000 0.455 324 V N 1.422 121.405 119.914 0.114 0.000 2.287 324 V HA -0.152 3.966 4.120 -0.003 0.000 0.248 324 V C 2.000 178.216 176.094 0.203 0.000 1.053 324 V CA 1.669 64.127 62.300 0.263 0.000 1.027 324 V CB -0.757 31.228 31.823 0.270 0.000 0.646 324 V HN 0.435 nan 8.190 nan 0.000 0.447 325 F N 1.322 121.306 119.950 0.057 0.000 2.091 325 F HA -0.253 4.272 4.527 -0.003 0.000 0.299 325 F C 2.556 178.395 175.800 0.065 0.000 1.103 325 F CA 2.026 60.055 58.000 0.049 0.000 1.228 325 F CB -0.329 38.708 39.000 0.062 0.000 0.984 325 F HN -0.021 nan 8.300 nan 0.000 0.477 326 R N 0.240 120.763 120.500 0.038 0.000 2.073 326 R HA -0.191 4.148 4.340 -0.003 0.000 0.234 326 R C 2.037 178.235 176.300 -0.170 0.000 1.134 326 R CA 1.823 57.846 56.100 -0.129 0.000 0.952 326 R CB -0.849 29.291 30.300 -0.266 0.000 0.850 326 R HN 0.570 nan 8.270 nan 0.000 0.433 327 D N 0.034 120.503 120.400 0.115 0.000 2.178 327 D HA -0.196 4.442 4.640 -0.003 0.000 0.201 327 D C 1.636 177.978 176.300 0.070 0.000 0.980 327 D CA 1.276 55.443 54.000 0.280 0.000 0.842 327 D CB -0.175 40.853 40.800 0.381 0.000 0.948 327 D HN 0.262 nan 8.370 nan 0.000 0.472 328 Q N -0.359 119.415 119.800 -0.044 0.000 2.079 328 Q HA -0.109 4.229 4.340 -0.003 0.000 0.200 328 Q C 2.047 177.903 176.000 -0.239 0.000 0.974 328 Q CA 1.150 56.877 55.803 -0.128 0.000 0.840 328 Q CB -0.012 28.652 28.738 -0.124 0.000 0.898 328 Q HN 0.343 nan 8.270 nan 0.000 0.430 329 E N 0.346 120.339 120.200 -0.344 0.000 2.077 329 E HA -0.163 4.185 4.350 -0.003 0.000 0.193 329 E C 1.701 178.131 176.600 -0.283 0.000 0.989 329 E CA 0.711 56.952 56.400 -0.266 0.000 0.800 329 E CB -0.272 29.312 29.700 -0.192 0.000 0.746 329 E HN 0.261 nan 8.360 nan 0.000 0.452 330 F N 2.146 121.526 119.950 -0.950 0.000 2.046 330 F HA -0.213 4.313 4.527 -0.003 0.000 0.297 330 F C 2.423 177.834 175.800 -0.649 0.000 1.123 330 F CA 1.727 58.836 58.000 -1.484 0.000 1.199 330 F CB -0.639 37.639 39.000 -1.204 0.000 0.972 330 F HN -0.126 nan 8.300 nan 0.000 0.474 331 S N -0.140 115.238 115.700 -0.537 0.000 2.370 331 S HA -0.194 4.274 4.470 -0.003 0.000 0.226 331 S C 2.203 176.572 174.600 -0.385 0.000 1.033 331 S CA 1.489 59.401 58.200 -0.480 0.000 1.011 331 S CB -0.614 62.452 63.200 -0.223 0.000 0.852 331 S HN 0.460 nan 8.310 nan 0.000 0.457 332 S N 1.382 116.905 115.700 -0.296 0.000 2.383 332 S HA -0.089 4.379 4.470 -0.003 0.000 0.227 332 S C 1.536 176.013 174.600 -0.206 0.000 1.026 332 S CA 1.051 59.115 58.200 -0.226 0.000 0.981 332 S CB -0.398 62.694 63.200 -0.179 0.000 0.818 332 S HN 0.432 nan 8.310 nan 0.000 0.472 333 D N 1.215 121.509 120.400 -0.176 0.000 2.097 333 D HA -0.004 4.634 4.640 -0.003 0.000 0.197 333 D C 1.800 178.019 176.300 -0.134 0.000 0.984 333 D CA 0.769 54.736 54.000 -0.055 0.000 0.826 333 D CB -0.314 40.604 40.800 0.197 0.000 0.973 333 D HN 0.171 nan 8.370 nan 0.000 0.460 334 L N -0.046 121.010 121.223 -0.278 0.000 2.156 334 L HA 0.112 4.450 4.340 -0.003 0.000 0.208 334 L C 1.696 178.309 176.870 -0.427 0.000 1.095 334 L CA 1.115 55.795 54.840 -0.267 0.000 0.770 334 L CB -0.631 41.206 42.059 -0.370 0.000 0.914 334 L HN -0.004 nan 8.230 nan 0.000 0.439 335 G N -2.663 105.763 108.800 -0.625 0.000 3.175 335 G HA2 0.307 4.266 3.960 -0.003 0.000 0.153 335 G HA3 0.307 4.266 3.960 -0.003 0.000 0.153 335 G C -0.753 173.818 174.900 -0.548 0.000 1.216 335 G CA -0.067 44.346 45.100 -1.144 0.000 0.943 335 G HN -0.044 nan 8.290 nan 0.000 0.611 336 S N -0.619 114.851 115.700 -0.384 0.000 2.416 336 S HA 0.186 4.655 4.470 -0.003 0.000 0.287 336 S C 1.494 175.994 174.600 -0.167 0.000 1.139 336 S CA -0.295 57.785 58.200 -0.200 0.000 1.058 336 S CB 0.870 63.995 63.200 -0.124 0.000 0.967 336 S HN 0.585 nan 8.310 nan 0.000 0.495 337 R N 4.388 124.807 120.500 -0.135 0.000 2.081 337 R HA -0.100 4.239 4.340 -0.003 0.000 0.235 337 R C 2.193 178.441 176.300 -0.086 0.000 1.131 337 R CA 1.836 57.868 56.100 -0.113 0.000 0.960 337 R CB -0.686 29.562 30.300 -0.086 0.000 0.856 337 R HN 0.771 nan 8.270 nan 0.000 0.436 338 A N 0.219 123.005 122.820 -0.058 0.000 1.883 338 A HA -0.127 4.191 4.320 -0.003 0.000 0.217 338 A C 2.282 179.818 177.584 -0.080 0.000 1.186 338 A CA 1.771 53.794 52.037 -0.023 0.000 0.624 338 A CB -0.662 18.337 19.000 -0.002 0.000 0.822 338 A HN 0.241 nan 8.150 nan 0.000 0.444 339 V N 1.006 120.853 119.914 -0.112 0.000 2.343 339 V HA -0.271 3.847 4.120 -0.003 0.000 0.247 339 V C 2.347 178.346 176.094 -0.158 0.000 1.051 339 V CA 2.060 64.269 62.300 -0.152 0.000 1.036 339 V CB -0.959 30.797 31.823 -0.112 0.000 0.654 339 V HN 0.574 nan 8.190 nan 0.000 0.451 340 N N 0.169 118.790 118.700 -0.132 0.000 2.069 340 N HA -0.233 4.505 4.740 -0.003 0.000 0.191 340 N C 2.065 177.499 175.510 -0.128 0.000 1.031 340 N CA 1.753 54.728 53.050 -0.126 0.000 0.852 340 N CB -0.272 38.135 38.487 -0.133 0.000 1.018 340 N HN 0.302 nan 8.380 nan 0.000 0.423 341 R N 1.459 121.889 120.500 -0.117 0.000 2.073 341 R HA 0.056 4.395 4.340 -0.003 0.000 0.234 341 R C 2.276 178.517 176.300 -0.097 0.000 1.134 341 R CA 0.931 56.963 56.100 -0.114 0.000 0.952 341 R CB -0.739 29.483 30.300 -0.131 0.000 0.850 341 R HN 0.224 nan 8.270 nan 0.000 0.433 342 I N 0.846 121.331 120.570 -0.141 0.000 2.118 342 I HA -0.375 3.793 4.170 -0.003 0.000 0.241 342 I C 1.781 177.605 176.117 -0.489 0.000 1.070 342 I CA 1.641 62.612 61.300 -0.548 0.000 1.327 342 I CB -0.464 36.935 38.000 -1.002 0.000 1.034 342 I HN 0.272 nan 8.210 nan 0.000 0.405 343 N N 0.837 119.348 118.700 -0.314 0.000 2.188 343 N HA -0.137 4.602 4.740 -0.003 0.000 0.184 343 N C 1.537 176.963 175.510 -0.139 0.000 1.018 343 N CA 1.132 54.060 53.050 -0.203 0.000 0.858 343 N CB -0.514 37.890 38.487 -0.139 0.000 0.989 343 N HN 0.401 nan 8.380 nan 0.000 0.426 344 N N 0.556 119.182 118.700 -0.124 0.000 2.244 344 N HA -0.056 4.683 4.740 -0.003 0.000 0.183 344 N C 1.830 177.267 175.510 -0.122 0.000 1.016 344 N CA 0.446 53.446 53.050 -0.083 0.000 0.866 344 N CB -0.291 38.165 38.487 -0.051 0.000 0.980 344 N HN 0.050 nan 8.380 nan 0.000 0.430 345 V N 1.581 121.387 119.914 -0.179 0.000 2.453 345 V HA -0.126 3.992 4.120 -0.003 0.000 0.247 345 V C 2.284 178.224 176.094 -0.256 0.000 1.048 345 V CA 1.226 63.325 62.300 -0.335 0.000 1.049 345 V CB -0.342 31.339 31.823 -0.237 0.000 0.672 345 V HN 0.230 nan 8.190 nan 0.000 0.457 346 R N -0.131 120.301 120.500 -0.113 0.000 2.103 346 R HA -0.174 4.165 4.340 -0.003 0.000 0.242 346 R C 2.403 178.648 176.300 -0.092 0.000 1.142 346 R CA 2.052 58.132 56.100 -0.034 0.000 0.960 346 R CB -0.808 29.494 30.300 0.002 0.000 0.858 346 R HN 0.472 nan 8.270 nan 0.000 0.439 347 T N 0.937 115.435 114.554 -0.093 0.000 2.746 347 T HA -0.112 4.237 4.350 -0.003 0.000 0.267 347 T C 1.858 176.499 174.700 -0.099 0.000 1.039 347 T CA 1.111 63.172 62.100 -0.066 0.000 1.142 347 T CB -0.029 68.819 68.868 -0.033 0.000 0.866 347 T HN 0.080 nan 8.240 nan 0.000 0.444 348 M N 1.014 120.517 119.600 -0.161 0.000 2.059 348 M HA -0.011 4.468 4.480 -0.003 0.000 0.259 348 M C 2.362 178.308 176.300 -0.590 0.000 1.072 348 M CA 1.680 56.852 55.300 -0.213 0.000 1.117 348 M CB -0.958 31.565 32.600 -0.130 0.000 1.320 348 M HN 0.186 nan 8.290 nan 0.000 0.408 349 R N -0.859 119.187 120.500 -0.756 0.000 2.115 349 R HA -0.037 4.301 4.340 -0.003 0.000 0.230 349 R C 2.273 178.355 176.300 -0.363 0.000 1.111 349 R CA 1.243 56.767 56.100 -0.960 0.000 0.976 349 R CB -0.515 29.473 30.300 -0.520 0.000 0.870 349 R HN 0.504 nan 8.270 nan 0.000 0.445 350 G N -0.385 108.308 108.800 -0.179 0.000 2.595 350 G HA2 0.019 3.977 3.960 -0.003 0.000 0.213 350 G HA3 0.019 3.977 3.960 -0.003 0.000 0.213 350 G C 1.245 176.155 174.900 0.017 0.000 1.141 350 G CA 0.012 45.091 45.100 -0.035 0.000 0.806 350 G HN 0.074 nan 8.290 nan 0.000 0.530 351 L N -1.333 119.893 121.223 0.005 0.000 2.586 351 L HA 0.225 4.564 4.340 -0.003 0.000 0.204 351 L C 2.517 179.440 176.870 0.090 0.000 1.053 351 L CA 0.121 54.990 54.840 0.048 0.000 0.856 351 L CB -0.251 41.826 42.059 0.029 0.000 1.192 351 L HN 0.030 nan 8.230 nan 0.000 0.484 352 Q N 0.505 120.360 119.800 0.092 0.000 2.083 352 Q HA -0.129 4.209 4.340 -0.003 0.000 0.198 352 Q C 2.265 178.455 176.000 0.317 0.000 0.969 352 Q CA 1.721 57.629 55.803 0.175 0.000 0.838 352 Q CB 0.010 28.857 28.738 0.183 0.000 0.900 352 Q HN 0.281 nan 8.270 nan 0.000 0.436 353 F N 0.852 120.860 119.950 0.096 0.000 2.120 353 F HA -0.167 4.358 4.527 -0.003 0.000 0.300 353 F C 2.529 178.376 175.800 0.078 0.000 1.095 353 F CA 0.900 58.960 58.000 0.099 0.000 1.249 353 F CB -1.412 37.657 39.000 0.114 0.000 0.995 353 F HN 0.152 nan 8.300 nan 0.000 0.480 354 A N -0.307 122.676 122.820 0.272 0.000 1.883 354 A HA -0.271 4.047 4.320 -0.003 0.000 0.217 354 A C 2.253 179.921 177.584 0.140 0.000 1.186 354 A CA 1.927 54.068 52.037 0.173 0.000 0.624 354 A CB -0.998 18.089 19.000 0.144 0.000 0.822 354 A HN 0.435 nan 8.150 nan 0.000 0.444 355 E N -0.612 119.668 120.200 0.135 0.000 2.077 355 E HA -0.242 4.106 4.350 -0.003 0.000 0.193 355 E C 1.252 177.904 176.600 0.087 0.000 0.989 355 E CA 1.292 57.755 56.400 0.105 0.000 0.800 355 E CB -0.154 29.603 29.700 0.095 0.000 0.746 355 E HN 0.479 nan 8.360 nan 0.000 0.452 356 D N -0.681 119.774 120.400 0.091 0.000 2.350 356 D HA -0.040 4.599 4.640 -0.003 0.000 0.216 356 D C 0.840 177.168 176.300 0.047 0.000 0.968 356 D CA 0.853 54.883 54.000 0.050 0.000 0.894 356 D CB 0.210 41.035 40.800 0.042 0.000 0.909 356 D HN 0.254 nan 8.370 nan 0.000 0.520 357 A N -0.056 122.804 122.820 0.067 0.000 2.423 357 A HA 0.258 4.577 4.320 -0.003 0.000 0.246 357 A C 0.869 178.492 177.584 0.066 0.000 1.278 357 A CA -0.120 51.951 52.037 0.056 0.000 0.903 357 A CB 0.064 19.101 19.000 0.061 0.000 0.997 357 A HN 0.151 nan 8.150 nan 0.000 0.510 358 S N -1.358 114.388 115.700 0.077 0.000 2.704 358 S HA 0.595 5.063 4.470 -0.003 0.000 0.305 358 S C -2.242 172.405 174.600 0.079 0.000 1.107 358 S CA -1.254 56.995 58.200 0.082 0.000 0.993 358 S CB 1.391 64.645 63.200 0.090 0.000 1.110 358 S HN -0.059 nan 8.310 nan 0.000 0.534 359 P HA 0.023 nan 4.420 nan 0.000 0.221 359 P C 0.986 178.336 177.300 0.084 0.000 1.145 359 P CA 0.992 64.133 63.100 0.068 0.000 0.795 359 P CB 0.052 31.782 31.700 0.049 0.000 0.775 360 M N -1.323 118.330 119.600 0.088 0.000 2.494 360 M HA 0.184 4.662 4.480 -0.003 0.000 0.232 360 M C 0.503 176.953 176.300 0.250 0.000 1.137 360 M CA -0.613 54.752 55.300 0.108 0.000 1.012 360 M CB -1.153 31.466 32.600 0.032 0.000 1.567 360 M HN -0.207 nan 8.290 nan 0.000 0.486 361 A N 2.131 125.066 122.820 0.192 0.000 2.565 361 A HA 0.205 4.523 4.320 -0.003 0.000 0.237 361 A C 0.071 177.834 177.584 0.299 0.000 1.053 361 A CA 0.549 52.690 52.037 0.173 0.000 0.755 361 A CB -0.268 18.791 19.000 0.099 0.000 0.980 361 A HN 0.668 nan 8.150 nan 0.000 0.506 362 H N -0.142 119.028 119.070 0.167 0.000 3.037 362 H HA 0.621 5.175 4.556 -0.003 0.000 0.355 362 H C -3.417 172.017 175.328 0.178 0.000 1.263 362 H CA -2.486 53.690 56.048 0.213 0.000 1.129 362 H CB 0.624 30.602 29.762 0.360 0.000 1.861 362 H HN 0.339 nan 8.280 nan 0.000 0.546 363 P HA 0.098 nan 4.420 nan 0.000 0.272 363 P C 1.704 179.121 177.300 0.195 0.000 1.240 363 P CA -0.445 62.747 63.100 0.154 0.000 0.791 363 P CB 1.059 32.860 31.700 0.168 0.000 0.978 364 I N -1.279 119.363 120.570 0.119 0.000 2.423 364 I HA -0.100 4.069 4.170 -0.003 0.000 0.254 364 I C 1.074 177.316 176.117 0.208 0.000 1.151 364 I CA 1.218 62.594 61.300 0.127 0.000 1.421 364 I CB -0.293 37.695 38.000 -0.020 0.000 1.079 364 I HN 0.146 nan 8.210 nan 0.000 0.431 365 R N 2.735 123.380 120.500 0.241 0.000 2.278 365 R HA 0.439 4.778 4.340 -0.003 0.000 0.322 365 R C -2.582 173.869 176.300 0.251 0.000 1.058 365 R CA -2.063 54.199 56.100 0.270 0.000 0.991 365 R CB 0.672 31.160 30.300 0.313 0.000 1.140 365 R HN 0.078 nan 8.270 nan 0.000 0.518 366 P HA 0.023 nan 4.420 nan 0.000 0.269 366 P C -0.485 176.924 177.300 0.181 0.000 1.215 366 P CA -0.026 63.209 63.100 0.224 0.000 0.780 366 P CB 0.832 32.548 31.700 0.026 0.000 0.898 367 D N 0.255 120.712 120.400 0.096 0.000 2.388 367 D HA 0.119 4.758 4.640 -0.003 0.000 0.208 367 D C 0.536 176.776 176.300 -0.100 0.000 1.035 367 D CA 1.020 55.000 54.000 -0.033 0.000 0.875 367 D CB 0.335 41.184 40.800 0.081 0.000 0.984 367 D HN 0.293 nan 8.370 nan 0.000 0.508 368 M N 1.087 120.681 119.600 -0.011 0.000 2.271 368 M HA 0.375 4.853 4.480 -0.003 0.000 0.285 368 M C -2.327 173.869 176.300 -0.174 0.000 1.059 368 M CA -0.470 54.734 55.300 -0.160 0.000 0.940 368 M CB 2.442 34.981 32.600 -0.103 0.000 1.636 368 M HN -0.399 nan 8.290 nan 0.000 0.460 369 V N 6.028 125.829 119.914 -0.189 0.000 2.686 369 V HA 0.403 4.521 4.120 -0.003 0.000 0.306 369 V C 0.229 176.269 176.094 -0.089 0.000 1.065 369 V CA -0.375 61.740 62.300 -0.307 0.000 0.894 369 V CB 2.161 33.634 31.823 -0.584 0.000 1.004 369 V HN 0.988 nan 8.190 nan 0.000 0.424 370 I N 1.732 122.347 120.570 0.075 0.000 2.512 370 I HA 0.196 4.365 4.170 -0.003 0.000 0.247 370 I C 0.749 176.926 176.117 0.100 0.000 1.094 370 I CA 0.678 62.037 61.300 0.097 0.000 1.427 370 I CB 0.444 38.549 38.000 0.176 0.000 1.149 370 I HN 0.597 nan 8.210 nan 0.000 0.438 371 E N 0.840 121.139 120.200 0.165 0.000 2.182 371 E HA 0.173 4.521 4.350 -0.003 0.000 0.258 371 E C 0.390 177.095 176.600 0.175 0.000 0.879 371 E CA -0.403 56.070 56.400 0.122 0.000 0.754 371 E CB 1.398 31.159 29.700 0.101 0.000 1.162 371 E HN 0.090 nan 8.360 nan 0.000 0.419 372 M N 4.002 123.639 119.600 0.063 0.000 2.279 372 M HA -0.013 4.466 4.480 -0.003 0.000 0.264 372 M C 0.582 176.995 176.300 0.189 0.000 1.062 372 M CA 1.461 56.796 55.300 0.058 0.000 1.099 372 M CB -0.220 32.272 32.600 -0.181 0.000 1.394 372 M HN 0.452 nan 8.290 nan 0.000 0.426 373 N N 0.549 119.296 118.700 0.078 0.000 2.443 373 N HA -0.104 4.635 4.740 -0.003 0.000 0.184 373 N C 0.835 176.407 175.510 0.104 0.000 1.037 373 N CA 0.816 53.892 53.050 0.043 0.000 0.896 373 N CB -0.599 37.822 38.487 -0.109 0.000 0.959 373 N HN 0.459 nan 8.380 nan 0.000 0.442 374 N N -0.127 118.619 118.700 0.077 0.000 2.550 374 N HA -0.008 4.730 4.740 -0.003 0.000 0.186 374 N C 0.162 175.430 175.510 -0.402 0.000 1.110 374 N CA 0.348 53.307 53.050 -0.152 0.000 0.912 374 N CB -0.089 38.240 38.487 -0.263 0.000 0.968 374 N HN 0.258 nan 8.380 nan 0.000 0.448 375 F N -1.018 118.930 119.950 -0.002 0.000 2.668 375 F HA 0.234 4.760 4.527 -0.002 0.000 0.301 375 F C -0.212 175.515 175.800 -0.123 0.000 1.106 375 F CA -0.537 57.387 58.000 -0.126 0.000 1.289 375 F CB 0.028 38.894 39.000 -0.224 0.000 1.006 375 F HN -0.120 nan 8.300 nan 0.000 0.535 376 Y N 1.389 121.747 120.300 0.096 0.000 2.667 376 Y HA 0.246 4.794 4.550 -0.003 0.000 0.340 376 Y C 0.946 176.856 175.900 0.017 0.000 1.303 376 Y CA -0.902 57.288 58.100 0.149 0.000 1.769 376 Y CB -0.612 37.864 38.460 0.027 0.000 1.804 376 Y HN -0.020 nan 8.280 nan 0.000 0.451 377 T N -3.269 111.414 114.554 0.215 0.000 2.942 377 T HA 0.384 4.733 4.350 -0.003 0.000 0.289 377 T C 1.078 175.889 174.700 0.185 0.000 1.044 377 T CA -0.907 61.292 62.100 0.166 0.000 1.023 377 T CB 1.218 70.265 68.868 0.298 0.000 1.123 377 T HN 0.380 nan 8.240 nan 0.000 0.512 378 L N 0.368 121.659 121.223 0.113 0.000 2.089 378 L HA -0.166 4.172 4.340 -0.003 0.000 0.213 378 L C 2.966 179.938 176.870 0.170 0.000 1.079 378 L CA 1.770 56.684 54.840 0.124 0.000 0.758 378 L CB -1.135 40.978 42.059 0.090 0.000 0.891 378 L HN 0.846 nan 8.230 nan 0.000 0.433 379 T N -0.947 113.696 114.554 0.149 0.000 2.701 379 T HA -0.145 4.203 4.350 -0.003 0.000 0.263 379 T C 1.973 176.772 174.700 0.164 0.000 1.040 379 T CA 1.454 63.602 62.100 0.081 0.000 1.147 379 T CB -0.243 68.490 68.868 -0.225 0.000 0.865 379 T HN 0.055 nan 8.240 nan 0.000 0.426 380 V N 0.087 120.173 119.914 0.287 0.000 2.407 380 V HA -0.153 3.966 4.120 -0.003 0.000 0.248 380 V C 2.069 178.278 176.094 0.191 0.000 1.055 380 V CA 1.581 64.032 62.300 0.252 0.000 1.049 380 V CB -0.648 31.347 31.823 0.287 0.000 0.662 380 V HN 0.451 nan 8.190 nan 0.000 0.455 381 Y N 0.445 120.810 120.300 0.108 0.000 2.170 381 Y HA -0.034 4.515 4.550 -0.002 0.000 0.280 381 Y C 2.583 178.545 175.900 0.104 0.000 1.097 381 Y CA 1.557 59.727 58.100 0.117 0.000 1.087 381 Y CB -0.544 37.984 38.460 0.113 0.000 1.016 381 Y HN 0.162 nan 8.280 nan 0.000 0.485 382 E N 0.208 120.579 120.200 0.285 0.000 2.051 382 E HA -0.116 4.232 4.350 -0.003 0.000 0.189 382 E C 2.071 178.760 176.600 0.149 0.000 0.979 382 E CA 1.113 57.627 56.400 0.189 0.000 0.803 382 E CB -0.131 29.658 29.700 0.149 0.000 0.761 382 E HN 0.227 nan 8.360 nan 0.000 0.451 383 K N 0.106 120.590 120.400 0.141 0.000 2.097 383 K HA -0.098 4.221 4.320 -0.003 0.000 0.205 383 K C 2.113 178.727 176.600 0.022 0.000 1.050 383 K CA 1.370 57.717 56.287 0.100 0.000 0.938 383 K CB -0.389 32.176 32.500 0.108 0.000 0.718 383 K HN 0.208 nan 8.250 nan 0.000 0.442 384 G N 0.623 109.444 108.800 0.035 0.000 2.476 384 G HA2 -0.329 3.630 3.960 -0.003 0.000 0.218 384 G HA3 -0.329 3.630 3.960 -0.003 0.000 0.218 384 G C 1.565 176.456 174.900 -0.016 0.000 1.164 384 G CA 1.116 46.202 45.100 -0.024 0.000 0.768 384 G HN 0.457 nan 8.290 nan 0.000 0.560 385 A N 0.481 123.338 122.820 0.063 0.000 1.933 385 A HA 0.004 4.322 4.320 -0.003 0.000 0.218 385 A C 2.245 179.879 177.584 0.083 0.000 1.175 385 A CA 1.912 54.023 52.037 0.124 0.000 0.628 385 A CB -0.286 18.835 19.000 0.201 0.000 0.814 385 A HN 0.302 nan 8.150 nan 0.000 0.444 386 E N 0.010 120.236 120.200 0.044 0.000 2.110 386 E HA -0.124 4.225 4.350 -0.003 0.000 0.193 386 E C 2.179 178.682 176.600 -0.162 0.000 0.988 386 E CA 1.302 57.690 56.400 -0.021 0.000 0.804 386 E CB -0.620 29.081 29.700 0.002 0.000 0.745 386 E HN 0.419 nan 8.360 nan 0.000 0.458 387 V N 1.854 121.645 119.914 -0.206 0.000 2.307 387 V HA -0.231 3.888 4.120 -0.003 0.000 0.245 387 V C 2.384 178.458 176.094 -0.033 0.000 1.045 387 V CA 1.162 63.316 62.300 -0.244 0.000 1.024 387 V CB -0.393 31.210 31.823 -0.368 0.000 0.651 387 V HN 0.193 nan 8.190 nan 0.000 0.449 388 I N 0.171 120.700 120.570 -0.069 0.000 2.208 388 I HA -0.246 3.923 4.170 -0.003 0.000 0.245 388 I C 2.586 178.474 176.117 -0.381 0.000 1.097 388 I CA 1.799 63.017 61.300 -0.136 0.000 1.363 388 I CB -1.256 36.587 38.000 -0.262 0.000 1.051 388 I HN 0.329 nan 8.210 nan 0.000 0.413 389 R N 0.467 120.754 120.500 -0.355 0.000 2.096 389 R HA -0.138 4.200 4.340 -0.003 0.000 0.235 389 R C 2.391 178.616 176.300 -0.125 0.000 1.127 389 R CA 1.242 57.210 56.100 -0.220 0.000 0.968 389 R CB -0.068 30.277 30.300 0.076 0.000 0.861 389 R HN 0.254 nan 8.270 nan 0.000 0.440 390 M N 0.035 119.560 119.600 -0.125 0.000 2.117 390 M HA -0.181 4.298 4.480 -0.003 0.000 0.262 390 M C 2.152 178.324 176.300 -0.214 0.000 1.065 390 M CA 1.614 56.846 55.300 -0.114 0.000 1.114 390 M CB -0.199 32.370 32.600 -0.052 0.000 1.361 390 M HN 0.198 nan 8.290 nan 0.000 0.408 391 I N -0.939 119.471 120.570 -0.267 0.000 2.163 391 I HA -0.376 3.792 4.170 -0.003 0.000 0.243 391 I C 2.692 178.753 176.117 -0.093 0.000 1.085 391 I CA 1.406 62.517 61.300 -0.314 0.000 1.347 391 I CB -0.890 37.033 38.000 -0.129 0.000 1.044 391 I HN 0.415 nan 8.210 nan 0.000 0.408 392 H N 0.997 119.953 119.070 -0.190 0.000 2.352 392 H HA -0.161 4.394 4.556 -0.003 0.000 0.299 392 H C 2.176 177.412 175.328 -0.153 0.000 1.097 392 H CA 2.157 58.033 56.048 -0.286 0.000 1.311 392 H CB 0.049 29.427 29.762 -0.640 0.000 1.377 392 H HN 0.251 nan 8.280 nan 0.000 0.504 393 T N 1.435 115.967 114.554 -0.037 0.000 2.746 393 T HA -0.092 4.257 4.350 -0.003 0.000 0.267 393 T C 2.429 177.071 174.700 -0.096 0.000 1.039 393 T CA 1.180 63.253 62.100 -0.045 0.000 1.142 393 T CB -0.212 68.639 68.868 -0.028 0.000 0.866 393 T HN 0.237 nan 8.240 nan 0.000 0.444 394 L N -0.208 120.934 121.223 -0.135 0.000 2.156 394 L HA 0.005 4.343 4.340 -0.003 0.000 0.208 394 L C 2.086 178.890 176.870 -0.111 0.000 1.095 394 L CA 0.721 55.485 54.840 -0.127 0.000 0.770 394 L CB -0.242 41.681 42.059 -0.228 0.000 0.914 394 L HN 0.216 nan 8.230 nan 0.000 0.439 395 L N -1.161 119.979 121.223 -0.138 0.000 2.357 395 L HA 0.322 4.660 4.340 -0.003 0.000 0.211 395 L C 1.044 177.831 176.870 -0.139 0.000 1.075 395 L CA 0.811 55.582 54.840 -0.114 0.000 0.830 395 L CB -0.407 41.608 42.059 -0.074 0.000 0.996 395 L HN 0.258 nan 8.230 nan 0.000 0.467 396 G N -0.233 108.417 108.800 -0.251 0.000 2.758 396 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.686 396 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.686 396 G C 0.450 175.130 174.900 -0.367 0.000 1.389 396 G CA 0.152 45.068 45.100 -0.306 0.000 0.845 396 G HN 0.195 nan 8.290 nan 0.000 0.572 397 E N -0.076 119.923 120.200 -0.335 0.000 2.058 397 E HA -0.160 4.188 4.350 -0.003 0.000 0.194 397 E C 2.155 178.743 176.600 -0.019 0.000 0.997 397 E CA 2.423 58.742 56.400 -0.134 0.000 0.801 397 E CB -0.196 29.516 29.700 0.021 0.000 0.746 397 E HN 0.709 nan 8.360 nan 0.000 0.450 398 E N -0.394 119.780 120.200 -0.044 0.000 2.031 398 E HA -0.237 4.111 4.350 -0.003 0.000 0.193 398 E C 1.852 178.437 176.600 -0.025 0.000 0.994 398 E CA 1.367 57.749 56.400 -0.031 0.000 0.800 398 E CB -0.163 29.515 29.700 -0.036 0.000 0.752 398 E HN 0.239 nan 8.360 nan 0.000 0.447 399 N N 0.024 118.703 118.700 -0.036 0.000 2.166 399 N HA -0.164 4.575 4.740 -0.003 0.000 0.186 399 N C 1.628 177.116 175.510 -0.038 0.000 1.019 399 N CA 0.929 53.951 53.050 -0.047 0.000 0.856 399 N CB -0.471 37.980 38.487 -0.060 0.000 0.993 399 N HN 0.211 nan 8.380 nan 0.000 0.426 400 F N 2.210 122.071 119.950 -0.149 0.000 2.102 400 F HA -0.169 4.356 4.527 -0.003 0.000 0.298 400 F C 2.331 178.096 175.800 -0.059 0.000 1.105 400 F CA 1.353 59.287 58.000 -0.110 0.000 1.239 400 F CB 0.012 38.975 39.000 -0.062 0.000 0.991 400 F HN -0.022 nan 8.300 nan 0.000 0.474 401 Q N 0.755 120.611 119.800 0.093 0.000 2.119 401 Q HA -0.176 4.163 4.340 -0.003 0.000 0.201 401 Q C 2.177 178.141 176.000 -0.060 0.000 0.972 401 Q CA 1.480 57.279 55.803 -0.006 0.000 0.847 401 Q CB -0.470 28.244 28.738 -0.039 0.000 0.903 401 Q HN 0.497 nan 8.270 nan 0.000 0.433 402 K N -0.158 120.201 120.400 -0.069 0.000 2.063 402 K HA -0.134 4.184 4.320 -0.003 0.000 0.208 402 K C 2.130 178.656 176.600 -0.122 0.000 1.048 402 K CA 1.308 57.549 56.287 -0.076 0.000 0.928 402 K CB -0.409 32.050 32.500 -0.069 0.000 0.713 402 K HN 0.293 nan 8.250 nan 0.000 0.442 403 G N 1.403 110.073 108.800 -0.217 0.000 2.418 403 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.217 403 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.217 403 G C 1.481 176.187 174.900 -0.323 0.000 1.158 403 G CA 0.673 45.576 45.100 -0.328 0.000 0.771 403 G HN 0.060 nan 8.290 nan 0.000 0.545 404 M N 0.319 119.731 119.600 -0.314 0.000 2.108 404 M HA -0.102 4.376 4.480 -0.003 0.000 0.261 404 M C 2.628 178.910 176.300 -0.030 0.000 1.066 404 M CA 1.312 56.516 55.300 -0.161 0.000 1.107 404 M CB -1.288 31.373 32.600 0.101 0.000 1.356 404 M HN 0.349 nan 8.290 nan 0.000 0.406 405 Q N -0.244 119.584 119.800 0.047 0.000 2.084 405 Q HA -0.177 4.161 4.340 -0.003 0.000 0.202 405 Q C 2.095 178.140 176.000 0.075 0.000 0.978 405 Q CA 1.171 57.044 55.803 0.116 0.000 0.844 405 Q CB -0.303 28.465 28.738 0.050 0.000 0.898 405 Q HN 0.299 nan 8.270 nan 0.000 0.426 406 L N -0.288 120.935 121.223 0.000 0.000 2.093 406 L HA -0.172 4.166 4.340 -0.003 0.000 0.208 406 L C 2.110 178.994 176.870 0.024 0.000 1.085 406 L CA 1.642 56.477 54.840 -0.009 0.000 0.755 406 L CB -0.698 41.332 42.059 -0.049 0.000 0.904 406 L HN 0.224 nan 8.230 nan 0.000 0.435 407 Y N -0.445 119.766 120.300 -0.149 0.000 2.097 407 Y HA -0.311 4.238 4.550 -0.003 0.000 0.282 407 Y C 2.151 178.047 175.900 -0.006 0.000 1.152 407 Y CA 1.978 60.022 58.100 -0.095 0.000 1.136 407 Y CB -0.685 37.603 38.460 -0.286 0.000 0.975 407 Y HN 0.212 nan 8.280 nan 0.000 0.498 408 F N 0.654 120.636 119.950 0.053 0.000 2.146 408 F HA -0.098 4.428 4.527 -0.003 0.000 0.298 408 F C 2.615 178.403 175.800 -0.021 0.000 1.096 408 F CA 1.658 59.646 58.000 -0.020 0.000 1.275 408 F CB -1.108 37.923 39.000 0.051 0.000 1.008 408 F HN 0.151 nan 8.300 nan 0.000 0.480 409 E N 0.349 120.637 120.200 0.146 0.000 2.085 409 E HA -0.222 4.126 4.350 -0.003 0.000 0.194 409 E C 2.352 178.927 176.600 -0.042 0.000 0.994 409 E CA 1.392 57.825 56.400 0.055 0.000 0.801 409 E CB 0.021 29.736 29.700 0.025 0.000 0.743 409 E HN 0.343 nan 8.360 nan 0.000 0.453 410 R N -1.095 119.305 120.500 -0.167 0.000 2.090 410 R HA -0.029 4.310 4.340 -0.003 0.000 0.228 410 R C 1.701 177.701 176.300 -0.500 0.000 1.110 410 R CA 1.192 57.037 56.100 -0.424 0.000 0.973 410 R CB 0.032 29.887 30.300 -0.742 0.000 0.869 410 R HN 0.338 nan 8.270 nan 0.000 0.440 411 H N -0.996 118.040 119.070 -0.057 0.000 2.893 411 H HA 0.106 4.660 4.556 -0.003 0.000 0.270 411 H C -0.266 175.043 175.328 -0.031 0.000 1.095 411 H CA -0.512 55.483 56.048 -0.089 0.000 1.186 411 H CB 0.201 29.827 29.762 -0.227 0.000 1.562 411 H HN 0.066 nan 8.280 nan 0.000 0.536 412 D N 0.937 121.414 120.400 0.127 0.000 2.533 412 D HA 0.061 4.700 4.640 -0.003 0.000 0.236 412 D C 1.454 177.821 176.300 0.111 0.000 1.137 412 D CA 1.773 55.877 54.000 0.174 0.000 0.867 412 D CB 0.369 41.309 40.800 0.234 0.000 1.170 412 D HN 0.601 nan 8.370 nan 0.000 0.474 413 G N 2.236 111.088 108.800 0.086 0.000 2.143 413 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.249 413 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.249 413 G C 0.273 175.214 174.900 0.068 0.000 0.981 413 G CA 0.745 45.893 45.100 0.080 0.000 0.665 413 G HN 1.137 nan 8.290 nan 0.000 0.528 414 S N -1.282 114.459 115.700 0.069 0.000 2.697 414 S HA 0.904 5.373 4.470 -0.003 0.000 0.289 414 S C -0.200 174.429 174.600 0.049 0.000 1.149 414 S CA 0.222 58.462 58.200 0.066 0.000 0.850 414 S CB 2.131 65.387 63.200 0.093 0.000 1.151 414 S HN 1.895 nan 8.310 nan 0.000 0.491 415 A N 0.439 123.279 122.820 0.033 0.000 2.276 415 A HA 0.868 5.186 4.320 -0.003 0.000 0.316 415 A C 0.235 177.801 177.584 -0.030 0.000 1.229 415 A CA -0.294 51.743 52.037 0.000 0.000 0.851 415 A CB 0.125 19.118 19.000 -0.012 0.000 1.165 415 A HN 1.568 nan 8.150 nan 0.000 0.513 416 A N 1.748 124.533 122.820 -0.058 0.000 2.389 416 A HA 0.961 5.280 4.320 -0.003 0.000 0.293 416 A C 0.331 177.848 177.584 -0.112 0.000 1.186 416 A CA 0.066 52.025 52.037 -0.129 0.000 0.828 416 A CB 0.878 19.727 19.000 -0.252 0.000 1.369 416 A HN 1.529 nan 8.150 nan 0.000 0.446 417 T N -3.611 110.867 114.554 -0.126 0.000 2.942 417 T HA 0.385 4.734 4.350 -0.003 0.000 0.289 417 T C 0.971 175.634 174.700 -0.063 0.000 1.044 417 T CA -0.046 61.995 62.100 -0.099 0.000 1.023 417 T CB 0.689 69.485 68.868 -0.120 0.000 1.123 417 T HN 0.612 nan 8.240 nan 0.000 0.512 418 C N 0.595 119.854 119.300 -0.067 0.000 2.401 418 C HA -0.090 4.368 4.460 -0.003 0.000 0.276 418 C C 2.517 177.380 174.990 -0.211 0.000 1.233 418 C CA 1.657 60.597 59.018 -0.130 0.000 1.753 418 C CB -1.414 26.227 27.740 -0.165 0.000 2.029 418 C HN 1.142 nan 8.230 nan 0.000 0.478 419 D N 0.491 120.779 120.400 -0.187 0.000 2.144 419 D HA -0.135 4.504 4.640 -0.003 0.000 0.199 419 D C 1.657 177.913 176.300 -0.074 0.000 0.984 419 D CA 1.324 55.235 54.000 -0.148 0.000 0.834 419 D CB -0.208 40.536 40.800 -0.092 0.000 0.955 419 D HN 0.406 nan 8.370 nan 0.000 0.465 420 D N -0.591 119.776 120.400 -0.054 0.000 2.123 420 D HA -0.189 4.449 4.640 -0.003 0.000 0.196 420 D C 1.764 178.094 176.300 0.050 0.000 0.992 420 D CA 0.649 54.635 54.000 -0.024 0.000 0.833 420 D CB -0.488 40.152 40.800 -0.267 0.000 0.954 420 D HN 0.301 nan 8.370 nan 0.000 0.455 421 F N 1.518 121.387 119.950 -0.136 0.000 2.102 421 F HA -0.204 4.321 4.527 -0.003 0.000 0.298 421 F C 2.220 177.892 175.800 -0.212 0.000 1.105 421 F CA 1.021 58.854 58.000 -0.278 0.000 1.239 421 F CB -0.324 38.398 39.000 -0.464 0.000 0.991 421 F HN -0.221 nan 8.300 nan 0.000 0.474 422 V N 0.585 120.413 119.914 -0.143 0.000 2.343 422 V HA -0.343 3.775 4.120 -0.003 0.000 0.247 422 V C 2.449 178.431 176.094 -0.186 0.000 1.051 422 V CA 2.300 64.496 62.300 -0.173 0.000 1.036 422 V CB -0.960 30.838 31.823 -0.042 0.000 0.654 422 V HN 0.470 nan 8.190 nan 0.000 0.451 423 Q N -0.294 119.440 119.800 -0.109 0.000 2.124 423 Q HA -0.223 4.116 4.340 -0.003 0.000 0.202 423 Q C 2.294 178.234 176.000 -0.100 0.000 0.977 423 Q CA 1.878 57.641 55.803 -0.066 0.000 0.850 423 Q CB -0.249 28.485 28.738 -0.006 0.000 0.901 423 Q HN 0.660 nan 8.270 nan 0.000 0.429 424 A N 0.533 123.275 122.820 -0.129 0.000 1.902 424 A HA -0.196 4.123 4.320 -0.003 0.000 0.217 424 A C 2.034 179.457 177.584 -0.269 0.000 1.181 424 A CA 1.460 53.410 52.037 -0.146 0.000 0.623 424 A CB -0.451 18.505 19.000 -0.074 0.000 0.818 424 A HN 0.377 nan 8.150 nan 0.000 0.443 425 M N -0.711 118.620 119.600 -0.447 0.000 2.086 425 M HA -0.151 4.327 4.480 -0.003 0.000 0.261 425 M C 2.125 178.274 176.300 -0.252 0.000 1.067 425 M CA 1.985 57.021 55.300 -0.440 0.000 1.116 425 M CB -1.222 31.031 32.600 -0.578 0.000 1.348 425 M HN 0.732 nan 8.290 nan 0.000 0.407 426 E N 0.394 120.480 120.200 -0.190 0.000 2.051 426 E HA -0.223 4.126 4.350 -0.003 0.000 0.192 426 E C 1.392 177.941 176.600 -0.085 0.000 0.991 426 E CA 1.541 57.876 56.400 -0.107 0.000 0.799 426 E CB 0.132 29.794 29.700 -0.062 0.000 0.748 426 E HN 0.361 nan 8.360 nan 0.000 0.449 427 D N 0.215 120.564 120.400 -0.085 0.000 2.117 427 D HA -0.113 4.526 4.640 -0.003 0.000 0.198 427 D C 1.790 178.048 176.300 -0.069 0.000 0.982 427 D CA 1.377 55.340 54.000 -0.062 0.000 0.828 427 D CB -0.281 40.489 40.800 -0.050 0.000 0.967 427 D HN 0.319 nan 8.370 nan 0.000 0.464 428 A N 0.611 123.373 122.820 -0.097 0.000 1.968 428 A HA -0.094 4.224 4.320 -0.003 0.000 0.217 428 A C 2.251 179.786 177.584 -0.082 0.000 1.169 428 A CA 1.915 53.897 52.037 -0.091 0.000 0.638 428 A CB -0.260 18.667 19.000 -0.122 0.000 0.812 428 A HN 0.306 nan 8.150 nan 0.000 0.446 429 S N -1.573 114.072 115.700 -0.092 0.000 2.503 429 S HA 0.058 4.527 4.470 -0.003 0.000 0.215 429 S C 0.632 175.200 174.600 -0.053 0.000 1.003 429 S CA 0.625 58.780 58.200 -0.076 0.000 0.910 429 S CB -0.543 62.600 63.200 -0.094 0.000 0.790 429 S HN 0.625 nan 8.310 nan 0.000 0.514 430 N N -0.088 118.583 118.700 -0.048 0.000 2.741 430 N HA -0.122 4.617 4.740 -0.003 0.000 0.251 430 N C -0.987 174.512 175.510 -0.018 0.000 1.112 430 N CA 0.587 53.620 53.050 -0.028 0.000 0.750 430 N CB -1.667 36.807 38.487 -0.021 0.000 1.119 430 N HN 0.346 nan 8.380 nan 0.000 0.561 431 V N 0.774 120.670 119.914 -0.029 0.000 2.432 431 V HA 0.172 4.291 4.120 -0.003 0.000 0.275 431 V C 0.403 176.503 176.094 0.010 0.000 1.043 431 V CA -0.522 61.772 62.300 -0.009 0.000 0.925 431 V CB 1.547 33.348 31.823 -0.035 0.000 0.985 431 V HN 0.127 nan 8.190 nan 0.000 0.466 432 D N 4.592 125.025 120.400 0.054 0.000 2.358 432 D HA 0.173 4.811 4.640 -0.003 0.000 0.258 432 D C 0.376 176.764 176.300 0.147 0.000 1.223 432 D CA 0.220 54.271 54.000 0.085 0.000 0.886 432 D CB 0.780 41.634 40.800 0.091 0.000 1.120 432 D HN 0.463 nan 8.370 nan 0.000 0.482 433 L N 3.126 124.430 121.223 0.134 0.000 2.965 433 L HA 0.084 4.422 4.340 -0.003 0.000 0.254 433 L C 1.995 179.044 176.870 0.297 0.000 1.220 433 L CA -0.175 54.798 54.840 0.223 0.000 1.023 433 L CB -0.031 42.089 42.059 0.102 0.000 1.355 433 L HN 0.373 nan 8.230 nan 0.000 0.545 434 S N -1.413 114.428 115.700 0.235 0.000 2.356 434 S HA -0.278 4.191 4.470 -0.003 0.000 0.223 434 S C 1.874 176.647 174.600 0.289 0.000 1.032 434 S CA 1.385 59.709 58.200 0.206 0.000 1.005 434 S CB -0.499 62.780 63.200 0.131 0.000 0.867 434 S HN 0.609 nan 8.310 nan 0.000 0.449 435 H N -0.390 118.805 119.070 0.208 0.000 2.389 435 H HA -0.021 4.533 4.556 -0.003 0.000 0.299 435 H C 1.967 177.461 175.328 0.276 0.000 1.081 435 H CA 1.103 57.267 56.048 0.192 0.000 1.345 435 H CB -0.224 29.631 29.762 0.155 0.000 1.393 435 H HN 0.464 nan 8.280 nan 0.000 0.520 436 F N 1.953 122.095 119.950 0.320 0.000 2.161 436 F HA -0.190 4.335 4.527 -0.003 0.000 0.300 436 F C 2.411 178.442 175.800 0.385 0.000 1.089 436 F CA 1.306 59.495 58.000 0.316 0.000 1.282 436 F CB -0.185 38.962 39.000 0.245 0.000 1.010 436 F HN 0.026 nan 8.300 nan 0.000 0.485 437 R N -0.177 120.572 120.500 0.414 0.000 2.170 437 R HA -0.231 4.108 4.340 -0.003 0.000 0.242 437 R C 2.312 178.774 176.300 0.270 0.000 1.145 437 R CA 1.409 57.720 56.100 0.352 0.000 0.984 437 R CB -0.484 29.947 30.300 0.219 0.000 0.869 437 R HN 0.307 nan 8.270 nan 0.000 0.455 438 R N 0.014 120.593 120.500 0.131 0.000 2.200 438 R HA -0.174 4.165 4.340 -0.003 0.000 0.234 438 R C 1.276 177.545 176.300 -0.052 0.000 1.127 438 R CA 1.345 57.461 56.100 0.026 0.000 0.989 438 R CB -0.164 30.121 30.300 -0.025 0.000 0.869 438 R HN 0.316 nan 8.270 nan 0.000 0.459 439 W N -0.681 120.508 121.300 -0.184 0.000 2.421 439 W HA -0.168 4.490 4.660 -0.003 0.000 0.270 439 W C 1.327 177.714 176.519 -0.220 0.000 1.233 439 W CA 0.647 57.813 57.345 -0.300 0.000 1.226 439 W CB -0.153 28.924 29.460 -0.638 0.000 1.121 439 W HN 0.165 nan 8.180 nan 0.000 0.579 440 Y N -0.634 119.744 120.300 0.131 0.000 2.395 440 Y HA -0.136 4.413 4.550 -0.003 0.000 0.293 440 Y C 2.311 178.272 175.900 0.101 0.000 1.123 440 Y CA 1.470 59.643 58.100 0.122 0.000 1.227 440 Y CB -0.392 38.138 38.460 0.117 0.000 1.012 440 Y HN -0.149 nan 8.280 nan 0.000 0.552 441 S N -1.449 114.375 115.700 0.206 0.000 2.559 441 S HA 0.122 4.590 4.470 -0.003 0.000 0.226 441 S C 0.305 174.956 174.600 0.086 0.000 1.000 441 S CA -0.513 57.772 58.200 0.141 0.000 0.948 441 S CB 0.240 63.512 63.200 0.120 0.000 0.870 441 S HN 0.288 nan 8.310 nan 0.000 0.497 442 Q N 2.607 122.435 119.800 0.047 0.000 2.322 442 Q HA 0.528 4.867 4.340 -0.003 0.000 0.265 442 Q C -0.412 175.599 176.000 0.019 0.000 0.985 442 Q CA -0.463 55.342 55.803 0.004 0.000 0.849 442 Q CB 1.340 30.028 28.738 -0.083 0.000 1.274 442 Q HN 0.422 nan 8.270 nan 0.000 0.449 443 S N 2.294 118.014 115.700 0.033 0.000 2.713 443 S HA 0.933 5.401 4.470 -0.003 0.000 0.277 443 S C 0.316 174.920 174.600 0.007 0.000 1.168 443 S CA 0.007 58.229 58.200 0.036 0.000 0.994 443 S CB 1.300 64.539 63.200 0.065 0.000 1.054 443 S HN 1.166 nan 8.310 nan 0.000 0.555 444 G N -0.177 108.626 108.800 0.004 0.000 2.730 444 G HA2 0.006 3.964 3.960 -0.003 0.000 0.686 444 G HA3 0.006 3.964 3.960 -0.003 0.000 0.686 444 G C -0.547 174.325 174.900 -0.046 0.000 1.343 444 G CA -0.515 44.572 45.100 -0.021 0.000 0.826 444 G HN 1.095 nan 8.290 nan 0.000 0.582 445 T N 3.705 118.189 114.554 -0.118 0.000 2.744 445 T HA 0.592 4.940 4.350 -0.003 0.000 0.291 445 T C -2.132 172.478 174.700 -0.149 0.000 0.957 445 T CA -0.647 61.323 62.100 -0.216 0.000 1.002 445 T CB 1.687 70.201 68.868 -0.589 0.000 0.919 445 T HN 0.512 nan 8.240 nan 0.000 0.468 446 P HA 0.293 nan 4.420 nan 0.000 0.271 446 P C -0.602 176.685 177.300 -0.021 0.000 1.218 446 P CA -0.362 62.708 63.100 -0.050 0.000 0.780 446 P CB 0.474 32.158 31.700 -0.027 0.000 0.901 447 I N 1.990 122.556 120.570 -0.007 0.000 2.362 447 I HA 0.252 4.420 4.170 -0.003 0.000 0.289 447 I C -0.429 175.719 176.117 0.051 0.000 0.994 447 I CA -0.860 60.458 61.300 0.030 0.000 1.158 447 I CB 1.579 39.588 38.000 0.015 0.000 1.315 447 I HN -0.054 nan 8.210 nan 0.000 0.451 448 V N 5.399 125.373 119.914 0.100 0.000 2.347 448 V HA 0.333 4.451 4.120 -0.003 0.000 0.280 448 V C 0.153 176.297 176.094 0.083 0.000 1.021 448 V CA -0.353 61.998 62.300 0.084 0.000 0.847 448 V CB 1.557 33.466 31.823 0.144 0.000 0.990 448 V HN 0.711 nan 8.190 nan 0.000 0.444 449 T N 4.896 119.468 114.554 0.029 0.000 2.795 449 T HA 0.603 4.952 4.350 -0.003 0.000 0.282 449 T C -0.302 174.406 174.700 0.013 0.000 0.980 449 T CA -0.349 61.772 62.100 0.035 0.000 1.012 449 T CB 1.562 70.438 68.868 0.013 0.000 0.936 449 T HN 0.341 nan 8.240 nan 0.000 0.457 450 V N 4.295 124.251 119.914 0.070 0.000 2.487 450 V HA 0.511 4.629 4.120 -0.003 0.000 0.298 450 V C -0.195 175.975 176.094 0.126 0.000 1.028 450 V CA -0.904 61.453 62.300 0.093 0.000 0.860 450 V CB 1.812 33.731 31.823 0.160 0.000 0.991 450 V HN 0.746 nan 8.190 nan 0.000 0.427 451 K N 3.237 123.675 120.400 0.062 0.000 2.318 451 K HA 0.713 5.032 4.320 -0.003 0.000 0.249 451 K C -1.375 175.247 176.600 0.037 0.000 0.942 451 K CA -0.838 55.462 56.287 0.022 0.000 0.808 451 K CB 2.186 34.670 32.500 -0.027 0.000 1.189 451 K HN 0.888 nan 8.250 nan 0.000 0.428 452 D N 0.186 120.610 120.400 0.041 0.000 2.523 452 D HA 0.437 5.075 4.640 -0.003 0.000 0.236 452 D C -1.350 174.937 176.300 -0.023 0.000 1.094 452 D CA -0.623 53.356 54.000 -0.036 0.000 0.942 452 D CB 1.863 42.683 40.800 0.032 0.000 1.447 452 D HN 0.423 nan 8.370 nan 0.000 0.479 453 D N -1.219 119.129 120.400 -0.086 0.000 2.947 453 D HA 0.355 4.994 4.640 -0.003 0.000 0.224 453 D C -2.048 174.354 176.300 0.170 0.000 1.230 453 D CA -0.594 53.429 54.000 0.038 0.000 0.871 453 D CB 1.384 42.177 40.800 -0.012 0.000 1.671 453 D HN 0.338 nan 8.370 nan 0.000 0.507 454 Y N 3.397 123.771 120.300 0.123 0.000 2.335 454 Y HA 0.520 5.068 4.550 -0.003 0.000 0.338 454 Y C -1.046 174.894 175.900 0.068 0.000 0.977 454 Y CA -0.985 57.215 58.100 0.167 0.000 1.114 454 Y CB 1.254 39.810 38.460 0.161 0.000 1.182 454 Y HN 0.358 nan 8.280 nan 0.000 0.463 455 N N 8.516 126.893 118.700 -0.537 0.000 2.546 455 N HA 0.297 5.035 4.740 -0.003 0.000 0.238 455 N C -2.238 172.866 175.510 -0.675 0.000 0.984 455 N CA -2.495 50.291 53.050 -0.439 0.000 0.935 455 N CB 1.725 40.080 38.487 -0.220 0.000 1.122 455 N HN 0.414 nan 8.380 nan 0.000 0.510 456 P HA -0.058 nan 4.420 nan 0.000 0.223 456 P C 0.499 177.697 177.300 -0.170 0.000 1.151 456 P CA 1.025 63.925 63.100 -0.333 0.000 0.787 456 P CB 0.679 32.318 31.700 -0.102 0.000 0.788 457 E N -0.073 120.042 120.200 -0.141 0.000 2.106 457 E HA -0.100 4.248 4.350 -0.003 0.000 0.192 457 E C 1.677 178.236 176.600 -0.069 0.000 0.984 457 E CA 1.947 58.300 56.400 -0.079 0.000 0.806 457 E CB -0.404 29.258 29.700 -0.064 0.000 0.750 457 E HN 0.397 nan 8.360 nan 0.000 0.458 458 T N -2.779 111.714 114.554 -0.101 0.000 3.023 458 T HA 0.138 4.487 4.350 -0.003 0.000 0.253 458 T C 0.238 174.910 174.700 -0.047 0.000 1.038 458 T CA -0.187 61.877 62.100 -0.060 0.000 0.962 458 T CB 0.178 69.013 68.868 -0.054 0.000 1.018 458 T HN 0.073 nan 8.240 nan 0.000 0.521 459 E N 1.137 121.270 120.200 -0.112 0.000 2.389 459 E HA -0.177 4.171 4.350 -0.003 0.000 0.243 459 E C -0.652 175.977 176.600 0.049 0.000 1.154 459 E CA 0.262 56.641 56.400 -0.034 0.000 0.723 459 E CB -1.405 28.359 29.700 0.107 0.000 1.261 459 E HN 0.726 nan 8.360 nan 0.000 0.390 460 Q N 0.136 119.910 119.800 -0.043 0.000 2.337 460 Q HA 0.509 4.847 4.340 -0.003 0.000 0.266 460 Q C -1.012 175.115 176.000 0.212 0.000 1.023 460 Q CA -0.747 55.118 55.803 0.104 0.000 0.829 460 Q CB 1.747 30.509 28.738 0.040 0.000 1.306 460 Q HN 0.245 nan 8.270 nan 0.000 0.449 461 Y N 1.105 121.554 120.300 0.248 0.000 2.335 461 Y HA 0.385 4.933 4.550 -0.003 0.000 0.338 461 Y C -0.960 175.132 175.900 0.320 0.000 0.977 461 Y CA -0.372 57.921 58.100 0.323 0.000 1.114 461 Y CB 1.586 40.252 38.460 0.342 0.000 1.182 461 Y HN 0.458 nan 8.280 nan 0.000 0.463 462 T N 7.687 122.116 114.554 -0.207 0.000 2.792 462 T HA 0.505 4.854 4.350 -0.003 0.000 0.280 462 T C -0.729 173.789 174.700 -0.305 0.000 0.990 462 T CA -0.580 61.423 62.100 -0.162 0.000 0.960 462 T CB 0.577 69.390 68.868 -0.092 0.000 0.939 462 T HN 0.511 nan 8.240 nan 0.000 0.439 463 L N 3.261 124.442 121.223 -0.069 0.000 2.287 463 L HA 0.460 4.799 4.340 -0.003 0.000 0.287 463 L C 0.179 177.106 176.870 0.095 0.000 1.022 463 L CA -0.670 54.178 54.840 0.012 0.000 0.814 463 L CB 1.470 43.640 42.059 0.185 0.000 1.217 463 L HN 0.592 nan 8.230 nan 0.000 0.420 464 T N 4.924 119.496 114.554 0.029 0.000 2.770 464 T HA 0.570 4.919 4.350 -0.003 0.000 0.297 464 T C -0.089 174.622 174.700 0.018 0.000 0.997 464 T CA -0.184 61.927 62.100 0.019 0.000 0.949 464 T CB 0.580 69.434 68.868 -0.022 0.000 0.941 464 T HN 0.267 nan 8.240 nan 0.000 0.457 465 I N 3.395 123.988 120.570 0.038 0.000 2.406 465 I HA 0.475 4.643 4.170 -0.003 0.000 0.290 465 I C 0.352 176.454 176.117 -0.025 0.000 0.999 465 I CA -0.709 60.571 61.300 -0.033 0.000 1.124 465 I CB 1.827 39.764 38.000 -0.105 0.000 1.289 465 I HN 0.607 nan 8.210 nan 0.000 0.441 466 S N 5.160 120.835 115.700 -0.041 0.000 2.600 466 S HA 0.797 5.266 4.470 -0.003 0.000 0.300 466 S C -0.947 173.639 174.600 -0.023 0.000 1.087 466 S CA -0.794 57.390 58.200 -0.026 0.000 0.965 466 S CB 2.195 65.382 63.200 -0.023 0.000 1.089 466 S HN 0.670 nan 8.310 nan 0.000 0.496 467 Q N 0.434 120.225 119.800 -0.015 0.000 2.389 467 Q HA 0.803 5.141 4.340 -0.003 0.000 0.277 467 Q C -1.459 174.529 176.000 -0.020 0.000 1.082 467 Q CA -1.078 54.718 55.803 -0.011 0.000 0.810 467 Q CB 1.887 30.621 28.738 -0.007 0.000 1.374 467 Q HN 0.726 nan 8.270 nan 0.000 0.422 468 R N 0.314 120.800 120.500 -0.023 0.000 2.698 468 R HA 0.639 4.978 4.340 -0.003 0.000 0.275 468 R C -1.373 174.899 176.300 -0.045 0.000 1.001 468 R CA -0.679 55.402 56.100 -0.032 0.000 0.896 468 R CB 2.814 33.101 30.300 -0.022 0.000 1.218 468 R HN 0.685 nan 8.270 nan 0.000 0.462 469 T N 3.404 117.924 114.554 -0.056 0.000 2.809 469 T HA 0.398 4.747 4.350 -0.003 0.000 0.284 469 T C -2.560 172.115 174.700 -0.042 0.000 0.992 469 T CA -1.597 60.466 62.100 -0.061 0.000 0.957 469 T CB 1.725 70.540 68.868 -0.087 0.000 0.942 469 T HN 0.248 nan 8.240 nan 0.000 0.439 470 P HA 0.322 nan 4.420 nan 0.000 0.271 470 P C -0.394 176.897 177.300 -0.014 0.000 1.218 470 P CA -0.499 62.590 63.100 -0.020 0.000 0.780 470 P CB 0.339 32.030 31.700 -0.016 0.000 0.901 471 A N 2.399 125.216 122.820 -0.005 0.000 2.555 471 A HA 0.406 4.724 4.320 -0.003 0.000 0.233 471 A C 0.662 178.254 177.584 0.013 0.000 1.060 471 A CA 0.613 52.652 52.037 0.005 0.000 0.759 471 A CB -0.736 18.269 19.000 0.009 0.000 0.995 471 A HN 0.651 nan 8.150 nan 0.000 0.506 472 T N -0.713 113.855 114.554 0.024 0.000 2.930 472 T HA 0.636 4.985 4.350 -0.003 0.000 0.290 472 T C -2.249 172.480 174.700 0.049 0.000 1.052 472 T CA -1.613 60.509 62.100 0.037 0.000 1.017 472 T CB 1.451 70.345 68.868 0.043 0.000 1.137 472 T HN 0.262 nan 8.240 nan 0.000 0.511 473 P HA -0.079 nan 4.420 nan 0.000 0.219 473 P C 1.096 178.443 177.300 0.078 0.000 1.146 473 P CA 1.082 64.220 63.100 0.064 0.000 0.808 473 P CB 0.013 31.754 31.700 0.068 0.000 0.779 474 D N -1.834 118.623 120.400 0.095 0.000 2.333 474 D HA -0.043 4.596 4.640 -0.003 0.000 0.208 474 D C 0.439 176.798 176.300 0.098 0.000 0.984 474 D CA 0.555 54.623 54.000 0.115 0.000 0.873 474 D CB -0.008 40.884 40.800 0.153 0.000 0.935 474 D HN 0.234 nan 8.370 nan 0.000 0.521 475 Q N -0.328 119.517 119.800 0.075 0.000 2.309 475 Q HA 0.550 4.888 4.340 -0.003 0.000 0.254 475 Q C -0.378 175.645 176.000 0.039 0.000 0.938 475 Q CA -0.442 55.396 55.803 0.058 0.000 0.789 475 Q CB 2.354 31.124 28.738 0.053 0.000 1.313 475 Q HN 0.066 nan 8.270 nan 0.000 0.438 476 A N 2.313 125.154 122.820 0.034 0.000 2.067 476 A HA -0.029 4.289 4.320 -0.003 0.000 0.217 476 A C 0.635 178.226 177.584 0.012 0.000 1.156 476 A CA 0.859 52.909 52.037 0.022 0.000 0.683 476 A CB 0.294 19.307 19.000 0.022 0.000 0.808 476 A HN 0.602 nan 8.150 nan 0.000 0.455 477 E N 0.942 121.149 120.200 0.012 0.000 2.175 477 E HA 0.374 4.722 4.350 -0.003 0.000 0.278 477 E C -1.088 175.509 176.600 -0.005 0.000 0.969 477 E CA -0.542 55.859 56.400 0.001 0.000 0.796 477 E CB 0.552 30.253 29.700 0.001 0.000 1.104 477 E HN 0.062 nan 8.360 nan 0.000 0.395 478 K N 3.150 123.540 120.400 -0.017 0.000 2.426 478 K HA 0.417 4.735 4.320 -0.003 0.000 0.251 478 K C -0.669 175.907 176.600 -0.039 0.000 0.941 478 K CA -0.736 55.531 56.287 -0.032 0.000 0.808 478 K CB 2.264 34.742 32.500 -0.038 0.000 1.265 478 K HN 0.580 nan 8.250 nan 0.000 0.432 479 Q N 0.914 120.683 119.800 -0.053 0.000 2.484 479 Q HA 0.467 4.805 4.340 -0.003 0.000 0.285 479 Q C -2.535 173.431 176.000 -0.056 0.000 1.097 479 Q CA -2.186 53.590 55.803 -0.045 0.000 0.802 479 Q CB 2.143 30.861 28.738 -0.033 0.000 1.444 479 Q HN 0.219 nan 8.270 nan 0.000 0.429 480 P HA 0.042 nan 4.420 nan 0.000 0.268 480 P C -0.949 176.378 177.300 0.046 0.000 1.205 480 P CA 0.340 63.441 63.100 0.001 0.000 0.771 480 P CB 0.475 32.206 31.700 0.051 0.000 0.858 481 L N 1.492 122.612 121.223 -0.171 0.000 2.331 481 L HA 0.393 4.732 4.340 -0.003 0.000 0.268 481 L C 0.881 177.495 176.870 -0.426 0.000 1.015 481 L CA -0.874 53.671 54.840 -0.492 0.000 0.807 481 L CB 0.824 42.251 42.059 -1.054 0.000 1.293 481 L HN 0.462 nan 8.230 nan 0.000 0.451 482 H N 1.921 120.560 119.070 -0.718 0.000 2.911 482 H HA 0.391 4.946 4.556 -0.003 0.000 0.273 482 H C -0.844 174.653 175.328 0.283 0.000 1.157 482 H CA -0.558 55.352 56.048 -0.231 0.000 1.402 482 H CB 0.343 30.038 29.762 -0.112 0.000 1.463 482 H HN 0.343 nan 8.280 nan 0.000 0.475 483 I N 8.323 129.197 120.570 0.507 0.000 2.328 483 I HA 0.210 4.378 4.170 -0.003 0.000 0.287 483 I C -2.305 174.076 176.117 0.441 0.000 1.012 483 I CA -2.337 59.265 61.300 0.504 0.000 1.195 483 I CB 1.582 39.813 38.000 0.387 0.000 1.350 483 I HN 0.530 nan 8.210 nan 0.000 0.464 484 P HA 0.099 nan 4.420 nan 0.000 0.275 484 P C -0.832 176.594 177.300 0.210 0.000 1.276 484 P CA 0.047 63.278 63.100 0.218 0.000 0.782 484 P CB 0.084 31.831 31.700 0.079 0.000 0.851 485 F N 3.985 123.973 119.950 0.063 0.000 2.359 485 F HA 0.593 5.118 4.527 -0.003 0.000 0.369 485 F C -0.143 175.656 175.800 -0.002 0.000 1.084 485 F CA -0.854 57.162 58.000 0.027 0.000 1.096 485 F CB 0.547 39.554 39.000 0.011 0.000 1.335 485 F HN 0.269 nan 8.300 nan 0.000 0.457 486 A N 7.270 129.931 122.820 -0.265 0.000 2.366 486 A HA 0.674 4.992 4.320 -0.003 0.000 0.272 486 A C -0.383 177.076 177.584 -0.210 0.000 1.135 486 A CA -0.376 51.568 52.037 -0.155 0.000 0.804 486 A CB 0.103 19.039 19.000 -0.107 0.000 1.064 486 A HN 0.854 nan 8.150 nan 0.000 0.499 487 I N -1.297 119.220 120.570 -0.087 0.000 3.042 487 I HA 0.916 5.084 4.170 -0.003 0.000 0.310 487 I C -0.732 175.341 176.117 -0.074 0.000 1.117 487 I CA -0.859 60.403 61.300 -0.063 0.000 1.003 487 I CB 2.387 40.380 38.000 -0.010 0.000 1.228 487 I HN 0.651 nan 8.210 nan 0.000 0.443 488 E N 3.373 123.532 120.200 -0.069 0.000 2.321 488 E HA 0.549 4.897 4.350 -0.003 0.000 0.281 488 E C -2.063 174.386 176.600 -0.251 0.000 0.910 488 E CA -0.651 55.641 56.400 -0.181 0.000 0.770 488 E CB 2.218 31.828 29.700 -0.150 0.000 1.225 488 E HN 0.720 nan 8.360 nan 0.000 0.417 489 L N 4.395 125.379 121.223 -0.399 0.000 2.307 489 L HA 0.504 4.842 4.340 -0.003 0.000 0.284 489 L C -1.009 175.579 176.870 -0.470 0.000 1.023 489 L CA -0.880 53.739 54.840 -0.369 0.000 0.810 489 L CB 0.785 42.594 42.059 -0.417 0.000 1.231 489 L HN 0.566 nan 8.230 nan 0.000 0.423 490 Y N 0.825 121.068 120.300 -0.095 0.000 2.377 490 Y HA 0.250 4.799 4.550 -0.002 0.000 0.339 490 Y C 0.346 176.192 175.900 -0.090 0.000 1.011 490 Y CA -1.035 57.065 58.100 -0.000 0.000 1.093 490 Y CB 1.452 40.062 38.460 0.251 0.000 1.201 490 Y HN 0.629 nan 8.280 nan 0.000 0.455 491 D N 0.339 120.768 120.400 0.048 0.000 2.440 491 D HA -0.021 4.618 4.640 -0.003 0.000 0.269 491 D C 0.821 177.064 176.300 -0.095 0.000 1.249 491 D CA -0.435 53.517 54.000 -0.081 0.000 1.055 491 D CB 0.360 41.116 40.800 -0.073 0.000 1.104 491 D HN 0.545 nan 8.370 nan 0.000 0.561 492 N N -0.266 118.163 118.700 -0.451 0.000 2.459 492 N HA -0.166 4.572 4.740 -0.003 0.000 0.181 492 N C 0.572 175.997 175.510 -0.141 0.000 1.046 492 N CA 0.725 53.539 53.050 -0.392 0.000 0.904 492 N CB -0.232 37.726 38.487 -0.882 0.000 0.964 492 N HN 0.460 nan 8.380 nan 0.000 0.444 493 E N -0.101 120.004 120.200 -0.158 0.000 2.479 493 E HA 0.097 4.446 4.350 -0.003 0.000 0.193 493 E C 0.776 177.220 176.600 -0.260 0.000 1.049 493 E CA 0.459 56.771 56.400 -0.147 0.000 0.870 493 E CB -0.064 29.580 29.700 -0.094 0.000 0.944 493 E HN 0.582 nan 8.360 nan 0.000 0.492 494 G N 2.100 110.787 108.800 -0.188 0.000 2.136 494 G HA2 -0.296 3.663 3.960 -0.003 0.000 0.242 494 G HA3 -0.296 3.663 3.960 -0.003 0.000 0.242 494 G C 0.091 175.061 174.900 0.118 0.000 0.989 494 G CA 0.306 45.231 45.100 -0.291 0.000 0.682 494 G HN 0.209 nan 8.290 nan 0.000 0.522 495 K N -0.061 120.414 120.400 0.124 0.000 2.118 495 K HA 0.588 4.906 4.320 -0.003 0.000 0.267 495 K C 0.551 177.198 176.600 0.078 0.000 0.991 495 K CA -0.846 55.513 56.287 0.119 0.000 0.916 495 K CB 2.186 34.733 32.500 0.078 0.000 1.041 495 K HN 0.014 nan 8.250 nan 0.000 0.455 496 V N 4.076 123.971 119.914 -0.032 0.000 2.508 496 V HA 0.085 4.204 4.120 -0.003 0.000 0.281 496 V C 0.345 176.376 176.094 -0.105 0.000 1.041 496 V CA -0.208 61.952 62.300 -0.234 0.000 1.016 496 V CB 0.284 31.970 31.823 -0.227 0.000 0.984 496 V HN 0.563 nan 8.190 nan 0.000 0.478 497 I N 7.576 128.042 120.570 -0.174 0.000 2.352 497 I HA 0.265 4.434 4.170 -0.003 0.000 0.290 497 I C -2.035 174.042 176.117 -0.066 0.000 1.036 497 I CA -1.737 59.508 61.300 -0.091 0.000 1.336 497 I CB 1.201 39.033 38.000 -0.279 0.000 1.407 497 I HN 0.454 nan 8.210 nan 0.000 0.497 498 P HA 0.094 nan 4.420 nan 0.000 0.264 498 P C -0.731 176.591 177.300 0.037 0.000 1.193 498 P CA -0.018 63.102 63.100 0.033 0.000 0.763 498 P CB 0.338 32.084 31.700 0.077 0.000 0.810 499 L N 4.588 125.825 121.223 0.022 0.000 2.319 499 L HA 0.338 4.676 4.340 -0.003 0.000 0.280 499 L C 0.887 177.878 176.870 0.201 0.000 1.099 499 L CA 0.119 55.009 54.840 0.084 0.000 0.828 499 L CB 0.028 42.100 42.059 0.022 0.000 1.150 499 L HN 0.508 nan 8.230 nan 0.000 0.442 500 Q N 3.183 123.159 119.800 0.292 0.000 2.575 500 Q HA 0.643 4.981 4.340 -0.003 0.000 0.290 500 Q C -1.537 174.614 176.000 0.252 0.000 0.963 500 Q CA -1.248 54.700 55.803 0.241 0.000 0.783 500 Q CB 2.860 31.695 28.738 0.161 0.000 1.467 500 Q HN 0.384 nan 8.270 nan 0.000 0.402 501 K N -0.246 120.263 120.400 0.181 0.000 2.550 501 K HA 0.462 4.780 4.320 -0.003 0.000 0.252 501 K C -0.164 176.508 176.600 0.119 0.000 0.943 501 K CA 0.083 56.445 56.287 0.126 0.000 0.806 501 K CB 1.629 34.170 32.500 0.069 0.000 1.289 501 K HN 1.074 nan 8.250 nan 0.000 0.435 502 G N 2.211 111.056 108.800 0.075 0.000 2.283 502 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.280 502 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.280 502 G C 0.738 175.601 174.900 -0.061 0.000 1.029 502 G CA 0.864 45.995 45.100 0.052 0.000 0.840 502 G HN 1.527 nan 8.290 nan 0.000 0.505 503 G N -2.193 106.554 108.800 -0.089 0.000 2.159 503 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.256 503 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.256 503 G C 0.046 174.725 174.900 -0.369 0.000 0.977 503 G CA 1.035 46.000 45.100 -0.225 0.000 0.652 503 G HN 1.533 nan 8.290 nan 0.000 0.531 504 H N 0.222 119.327 119.070 0.059 0.000 2.538 504 H HA 0.534 5.089 4.556 -0.003 0.000 0.353 504 H C -2.466 172.910 175.328 0.080 0.000 1.109 504 H CA -1.969 54.115 56.048 0.059 0.000 1.192 504 H CB 1.961 31.753 29.762 0.050 0.000 1.555 504 H HN 0.097 nan 8.280 nan 0.000 0.518 505 P HA 0.022 nan 4.420 nan 0.000 0.269 505 P C -0.725 176.678 177.300 0.172 0.000 1.215 505 P CA -0.205 62.990 63.100 0.157 0.000 0.780 505 P CB 0.795 32.565 31.700 0.117 0.000 0.898 506 V N 2.640 122.667 119.914 0.188 0.000 2.604 506 V HA 0.263 4.382 4.120 -0.003 0.000 0.305 506 V C 0.381 176.582 176.094 0.178 0.000 1.043 506 V CA -0.885 61.543 62.300 0.213 0.000 0.888 506 V CB 1.669 33.692 31.823 0.333 0.000 0.995 506 V HN 0.571 nan 8.190 nan 0.000 0.429 507 N N 2.195 120.985 118.700 0.150 0.000 2.458 507 N HA -0.028 4.710 4.740 -0.003 0.000 0.258 507 N C 1.360 176.942 175.510 0.120 0.000 1.219 507 N CA 0.740 53.857 53.050 0.112 0.000 0.902 507 N CB 1.543 40.088 38.487 0.097 0.000 1.076 507 N HN 0.839 nan 8.380 nan 0.000 0.455 508 S N 1.615 117.356 115.700 0.069 0.000 2.522 508 S HA -0.015 4.453 4.470 -0.003 0.000 0.227 508 S C 0.730 175.352 174.600 0.038 0.000 0.986 508 S CA -0.010 58.210 58.200 0.034 0.000 0.929 508 S CB 0.026 63.219 63.200 -0.011 0.000 0.769 508 S HN 0.277 nan 8.310 nan 0.000 0.529 509 V N 3.778 123.725 119.914 0.056 0.000 2.339 509 V HA 0.320 4.438 4.120 -0.003 0.000 0.261 509 V C 0.058 176.216 176.094 0.107 0.000 1.058 509 V CA -0.481 61.858 62.300 0.065 0.000 0.897 509 V CB 0.186 32.041 31.823 0.053 0.000 1.052 509 V HN 0.446 nan 8.190 nan 0.000 0.480 510 L N 4.634 125.914 121.223 0.095 0.000 2.380 510 L HA 0.366 4.704 4.340 -0.003 0.000 0.273 510 L C 0.650 177.625 176.870 0.176 0.000 1.138 510 L CA -0.194 54.664 54.840 0.031 0.000 0.832 510 L CB 0.357 42.187 42.059 -0.382 0.000 1.124 510 L HN 0.534 nan 8.230 nan 0.000 0.454 511 N N 2.785 121.652 118.700 0.278 0.000 2.602 511 N HA 0.124 4.862 4.740 -0.003 0.000 0.238 511 N C -0.689 175.042 175.510 0.367 0.000 1.084 511 N CA -0.125 53.132 53.050 0.344 0.000 0.952 511 N CB 1.458 40.105 38.487 0.268 0.000 1.244 511 N HN 0.256 nan 8.380 nan 0.000 0.512 512 V N 2.530 122.654 119.914 0.349 0.000 2.338 512 V HA 0.085 4.203 4.120 -0.003 0.000 0.255 512 V C 1.476 177.699 176.094 0.216 0.000 1.082 512 V CA 0.069 62.549 62.300 0.299 0.000 0.951 512 V CB 0.246 32.179 31.823 0.183 0.000 1.102 512 V HN 0.649 nan 8.190 nan 0.000 0.489 513 T N 0.521 115.169 114.554 0.157 0.000 3.003 513 T HA 0.268 4.616 4.350 -0.003 0.000 0.261 513 T C 0.508 175.313 174.700 0.175 0.000 1.003 513 T CA -0.271 61.922 62.100 0.156 0.000 0.917 513 T CB 0.511 69.437 68.868 0.096 0.000 1.084 513 T HN 0.441 nan 8.240 nan 0.000 0.522 514 Q N 0.152 120.001 119.800 0.083 0.000 2.306 514 Q HA 0.769 5.107 4.340 -0.003 0.000 0.269 514 Q C 1.221 177.230 176.000 0.015 0.000 1.053 514 Q CA -0.257 55.562 55.803 0.027 0.000 0.879 514 Q CB 1.620 30.346 28.738 -0.021 0.000 1.344 514 Q HN 0.181 nan 8.270 nan 0.000 0.464 515 A N 0.545 123.360 122.820 -0.008 0.000 1.933 515 A HA -0.127 4.192 4.320 -0.003 0.000 0.218 515 A C 0.584 178.155 177.584 -0.021 0.000 1.175 515 A CA 1.542 53.570 52.037 -0.016 0.000 0.628 515 A CB 0.131 19.116 19.000 -0.025 0.000 0.814 515 A HN 0.634 nan 8.150 nan 0.000 0.444 516 E N -0.768 119.414 120.200 -0.031 0.000 2.321 516 E HA 0.451 4.800 4.350 -0.003 0.000 0.278 516 E C -1.488 175.072 176.600 -0.067 0.000 0.902 516 E CA -0.647 55.729 56.400 -0.040 0.000 0.758 516 E CB 1.149 30.823 29.700 -0.044 0.000 1.213 516 E HN 0.548 nan 8.360 nan 0.000 0.426 517 Q N 1.198 120.950 119.800 -0.080 0.000 2.522 517 Q HA 0.486 4.825 4.340 -0.003 0.000 0.285 517 Q C -1.508 174.351 176.000 -0.235 0.000 0.982 517 Q CA -0.927 54.760 55.803 -0.193 0.000 0.805 517 Q CB 1.968 30.538 28.738 -0.280 0.000 1.457 517 Q HN 0.337 nan 8.270 nan 0.000 0.394 518 T N 1.670 116.001 114.554 -0.371 0.000 2.823 518 T HA 0.682 5.030 4.350 -0.003 0.000 0.279 518 T C -1.247 173.126 174.700 -0.544 0.000 0.998 518 T CA -0.312 61.618 62.100 -0.284 0.000 0.994 518 T CB 0.383 69.141 68.868 -0.184 0.000 0.960 518 T HN 0.362 nan 8.240 nan 0.000 0.448 519 F N 1.501 121.373 119.950 -0.131 0.000 2.493 519 F HA 0.611 5.136 4.527 -0.003 0.000 0.329 519 F C -0.198 175.362 175.800 -0.400 0.000 1.126 519 F CA -1.036 56.806 58.000 -0.264 0.000 0.937 519 F CB 1.639 40.538 39.000 -0.168 0.000 1.146 519 F HN 0.169 nan 8.300 nan 0.000 0.442 520 V N 3.957 123.638 119.914 -0.388 0.000 2.495 520 V HA 0.484 4.602 4.120 -0.003 0.000 0.298 520 V C -0.769 175.023 176.094 -0.504 0.000 1.031 520 V CA -0.954 61.166 62.300 -0.300 0.000 0.871 520 V CB 1.607 33.345 31.823 -0.141 0.000 0.988 520 V HN 0.486 nan 8.190 nan 0.000 0.432 521 F N 1.730 121.778 119.950 0.162 0.000 2.520 521 F HA 0.608 5.133 4.527 -0.003 0.000 0.322 521 F C 0.204 176.096 175.800 0.154 0.000 1.103 521 F CA -0.756 57.348 58.000 0.174 0.000 0.926 521 F CB 1.639 40.772 39.000 0.222 0.000 1.154 521 F HN 0.384 nan 8.300 nan 0.000 0.453 522 D N 0.926 121.496 120.400 0.282 0.000 2.385 522 D HA 0.258 4.897 4.640 -0.003 0.000 0.254 522 D C 0.068 176.490 176.300 0.202 0.000 1.053 522 D CA -0.265 53.850 54.000 0.191 0.000 0.992 522 D CB 0.702 41.579 40.800 0.128 0.000 1.145 522 D HN 0.505 nan 8.370 nan 0.000 0.523 523 N N -0.608 118.195 118.700 0.172 0.000 2.721 523 N HA -0.150 4.588 4.740 -0.003 0.000 0.249 523 N C -0.838 174.812 175.510 0.234 0.000 1.072 523 N CA 0.238 53.405 53.050 0.195 0.000 0.710 523 N CB -0.932 37.659 38.487 0.173 0.000 0.993 523 N HN 0.092 nan 8.380 nan 0.000 0.547 524 V N 2.532 122.578 119.914 0.219 0.000 2.322 524 V HA 0.045 4.164 4.120 -0.003 0.000 0.258 524 V C 1.204 177.408 176.094 0.183 0.000 1.074 524 V CA -0.388 61.992 62.300 0.135 0.000 0.909 524 V CB -0.496 31.472 31.823 0.242 0.000 1.090 524 V HN 0.315 nan 8.190 nan 0.000 0.486 525 Y N 2.726 123.146 120.300 0.199 0.000 2.546 525 Y HA 0.436 4.985 4.550 -0.003 0.000 0.287 525 Y C 0.186 176.247 175.900 0.268 0.000 1.158 525 Y CA -0.649 57.577 58.100 0.210 0.000 1.307 525 Y CB -0.215 38.336 38.460 0.150 0.000 1.036 525 Y HN 0.383 nan 8.280 nan 0.000 0.532 526 F N 1.342 121.131 119.950 -0.268 0.000 2.619 526 F HA 0.323 4.848 4.527 -0.003 0.000 0.308 526 F C -0.494 174.876 175.800 -0.717 0.000 1.097 526 F CA -1.841 55.993 58.000 -0.276 0.000 0.953 526 F CB 1.550 40.440 39.000 -0.183 0.000 1.287 526 F HN -0.156 nan 8.300 nan 0.000 0.446 527 Q N 6.616 125.633 119.800 -1.305 0.000 2.264 527 Q HA 0.161 4.499 4.340 -0.003 0.000 0.296 527 Q C -2.389 173.268 176.000 -0.572 0.000 1.103 527 Q CA -1.260 53.725 55.803 -1.364 0.000 0.967 527 Q CB 0.549 28.739 28.738 -0.913 0.000 1.090 527 Q HN 0.190 nan 8.270 nan 0.000 0.379 528 P HA 0.106 nan 4.420 nan 0.000 0.281 528 P C -1.096 176.027 177.300 -0.295 0.000 1.249 528 P CA -0.403 62.433 63.100 -0.439 0.000 0.810 528 P CB 1.062 32.350 31.700 -0.686 0.000 1.008 529 V N 4.149 123.944 119.914 -0.197 0.000 2.364 529 V HA 0.290 4.408 4.120 -0.003 0.000 0.272 529 V C -1.877 174.282 176.094 0.107 0.000 1.036 529 V CA -1.689 60.564 62.300 -0.078 0.000 0.880 529 V CB 0.958 32.602 31.823 -0.299 0.000 0.991 529 V HN 0.591 nan 8.190 nan 0.000 0.460 530 P HA 0.462 nan 4.420 nan 0.000 0.288 530 P C -0.944 176.559 177.300 0.338 0.000 1.267 530 P CA -0.520 62.662 63.100 0.137 0.000 0.815 530 P CB 1.772 33.486 31.700 0.023 0.000 0.989 531 A N 4.384 127.398 122.820 0.323 0.000 2.260 531 A HA 0.633 4.952 4.320 -0.003 0.000 0.314 531 A C -0.331 177.373 177.584 0.200 0.000 1.257 531 A CA -0.699 51.533 52.037 0.325 0.000 0.871 531 A CB 0.037 19.256 19.000 0.366 0.000 1.166 531 A HN 0.504 nan 8.150 nan 0.000 0.522 532 L N 2.185 123.546 121.223 0.230 0.000 2.342 532 L HA 0.516 4.855 4.340 -0.003 0.000 0.271 532 L C 0.049 176.864 176.870 -0.092 0.000 1.008 532 L CA -1.067 53.806 54.840 0.053 0.000 0.818 532 L CB 1.658 43.818 42.059 0.167 0.000 1.296 532 L HN 0.728 nan 8.230 nan 0.000 0.427 533 L N 2.321 123.164 121.223 -0.632 0.000 3.660 533 L HA -0.223 4.116 4.340 -0.003 0.000 0.440 533 L C -0.213 176.601 176.870 -0.094 0.000 1.262 533 L CA 0.227 54.765 54.840 -0.504 0.000 0.837 533 L CB -1.115 40.829 42.059 -0.192 0.000 1.689 533 L HN 0.719 nan 8.230 nan 0.000 0.890 534 C N 1.628 120.876 119.300 -0.088 0.000 2.611 534 C HA 0.104 4.563 4.460 -0.003 0.000 0.416 534 C C 1.861 176.858 174.990 0.012 0.000 1.366 534 C CA 0.436 59.492 59.018 0.062 0.000 1.761 534 C CB -0.245 27.518 27.740 0.039 0.000 2.619 534 C HN 0.854 nan 8.230 nan 0.000 0.606 535 E N 0.670 120.877 120.200 0.012 0.000 2.660 535 E HA -0.295 4.053 4.350 -0.003 0.000 0.260 535 E C 0.143 176.487 176.600 -0.427 0.000 1.122 535 E CA 0.659 56.777 56.400 -0.469 0.000 0.755 535 E CB -1.308 28.247 29.700 -0.241 0.000 1.345 535 E HN 0.835 nan 8.360 nan 0.000 0.421 536 F N -0.267 119.491 119.950 -0.319 0.000 2.797 536 F HA -0.293 4.233 4.527 -0.002 0.000 0.273 536 F C 1.323 177.063 175.800 -0.101 0.000 1.020 536 F CA 0.921 58.859 58.000 -0.103 0.000 0.961 536 F CB -1.479 37.453 39.000 -0.114 0.000 1.020 536 F HN 0.192 nan 8.300 nan 0.000 0.840 537 S N 0.468 116.055 115.700 -0.188 0.000 2.507 537 S HA 0.511 4.979 4.470 -0.003 0.000 0.235 537 S C 0.855 175.322 174.600 -0.221 0.000 0.988 537 S CA 0.483 58.577 58.200 -0.176 0.000 0.944 537 S CB 0.140 63.255 63.200 -0.141 0.000 0.762 537 S HN 1.598 nan 8.310 nan 0.000 0.526 538 A N 1.518 124.120 122.820 -0.362 0.000 2.549 538 A HA 0.686 5.004 4.320 -0.003 0.000 0.297 538 A C -3.164 174.047 177.584 -0.621 0.000 1.061 538 A CA -1.841 49.991 52.037 -0.341 0.000 0.690 538 A CB 1.183 20.180 19.000 -0.006 0.000 1.287 538 A HN 0.129 nan 8.150 nan 0.000 0.402 539 P HA 0.342 nan 4.420 nan 0.000 0.238 539 P C -0.383 177.017 177.300 0.167 0.000 1.794 539 P CA 0.211 63.194 63.100 -0.195 0.000 1.088 539 P CB -0.167 31.582 31.700 0.082 0.000 1.923 540 V N -0.169 119.833 119.914 0.147 0.000 3.130 540 V HA 0.600 4.718 4.120 -0.003 0.000 0.310 540 V C -0.485 175.835 176.094 0.377 0.000 1.158 540 V CA -1.569 60.856 62.300 0.209 0.000 1.029 540 V CB 2.473 34.418 31.823 0.203 0.000 1.057 540 V HN -0.020 nan 8.190 nan 0.000 0.436 541 K N 1.986 122.516 120.400 0.216 0.000 2.201 541 K HA 0.651 4.969 4.320 -0.003 0.000 0.278 541 K C -0.940 175.829 176.600 0.281 0.000 1.027 541 K CA -0.450 56.019 56.287 0.303 0.000 0.909 541 K CB 1.576 34.168 32.500 0.153 0.000 1.062 541 K HN 0.650 nan 8.250 nan 0.000 0.465 542 L N 2.671 124.097 121.223 0.339 0.000 2.282 542 L HA 0.225 4.564 4.340 -0.003 0.000 0.288 542 L C -0.817 176.222 176.870 0.281 0.000 1.033 542 L CA 0.174 55.217 54.840 0.338 0.000 0.807 542 L CB 1.033 43.345 42.059 0.422 0.000 1.209 542 L HN 0.572 nan 8.230 nan 0.000 0.423 543 E N 5.394 125.726 120.200 0.220 0.000 2.101 543 E HA 0.257 4.606 4.350 -0.003 0.000 0.260 543 E C -1.862 174.829 176.600 0.151 0.000 0.897 543 E CA -0.346 56.149 56.400 0.157 0.000 0.744 543 E CB 1.333 31.086 29.700 0.088 0.000 1.140 543 E HN 0.539 nan 8.360 nan 0.000 0.419 544 Y N 1.552 121.820 120.300 -0.052 0.000 2.470 544 Y HA 0.229 4.778 4.550 -0.003 0.000 0.341 544 Y C -0.784 174.922 175.900 -0.324 0.000 1.021 544 Y CA -1.093 56.838 58.100 -0.281 0.000 1.025 544 Y CB 1.501 39.616 38.460 -0.575 0.000 1.266 544 Y HN 0.172 nan 8.280 nan 0.000 0.448 545 K N 6.431 126.303 120.400 -0.881 0.000 2.187 545 K HA 0.139 4.458 4.320 -0.003 0.000 0.242 545 K C -1.247 175.065 176.600 -0.480 0.000 1.179 545 K CA -0.261 55.722 56.287 -0.505 0.000 1.097 545 K CB -0.032 32.245 32.500 -0.372 0.000 1.634 545 K HN 0.655 nan 8.250 nan 0.000 0.335 546 W N 1.756 123.031 121.300 -0.042 0.000 2.193 546 W HA -0.049 4.610 4.660 -0.002 0.000 0.338 546 W C 1.114 177.669 176.519 0.060 0.000 1.310 546 W CA -0.404 57.028 57.345 0.144 0.000 1.243 546 W CB 0.506 30.090 29.460 0.208 0.000 1.165 546 W HN 0.392 nan 8.180 nan 0.000 0.566 547 S N 1.149 117.064 115.700 0.358 0.000 2.632 547 S HA 0.124 4.593 4.470 -0.003 0.000 0.271 547 S C 0.652 175.397 174.600 0.243 0.000 1.260 547 S CA -0.639 57.699 58.200 0.229 0.000 1.010 547 S CB 1.446 64.737 63.200 0.152 0.000 0.965 547 S HN 0.521 nan 8.310 nan 0.000 0.534 548 D N 1.174 121.694 120.400 0.202 0.000 2.123 548 D HA -0.116 4.522 4.640 -0.003 0.000 0.196 548 D C 1.991 178.374 176.300 0.138 0.000 0.992 548 D CA 1.684 55.811 54.000 0.212 0.000 0.833 548 D CB -0.248 40.749 40.800 0.329 0.000 0.954 548 D HN 0.725 nan 8.370 nan 0.000 0.455 549 Q N -0.103 119.753 119.800 0.094 0.000 2.172 549 Q HA -0.100 4.238 4.340 -0.003 0.000 0.200 549 Q C 2.207 178.286 176.000 0.132 0.000 0.964 549 Q CA 0.735 56.585 55.803 0.077 0.000 0.855 549 Q CB -0.020 28.738 28.738 0.033 0.000 0.918 549 Q HN 0.431 nan 8.270 nan 0.000 0.444 550 Q N 0.339 120.235 119.800 0.161 0.000 2.096 550 Q HA -0.165 4.174 4.340 -0.003 0.000 0.204 550 Q C 2.122 178.217 176.000 0.159 0.000 0.982 550 Q CA 1.145 57.072 55.803 0.206 0.000 0.850 550 Q CB -0.075 28.910 28.738 0.412 0.000 0.901 550 Q HN 0.386 nan 8.270 nan 0.000 0.422 551 L N 0.119 121.375 121.223 0.055 0.000 2.056 551 L HA -0.160 4.179 4.340 -0.003 0.000 0.207 551 L C 2.748 179.563 176.870 -0.092 0.000 1.078 551 L CA 1.587 56.342 54.840 -0.142 0.000 0.749 551 L CB -0.893 41.046 42.059 -0.200 0.000 0.901 551 L HN 0.405 nan 8.230 nan 0.000 0.433 552 T N -2.710 111.834 114.554 -0.016 0.000 2.867 552 T HA -0.231 4.118 4.350 -0.003 0.000 0.268 552 T C 1.725 176.405 174.700 -0.033 0.000 1.057 552 T CA 0.854 62.920 62.100 -0.057 0.000 1.136 552 T CB -0.686 68.168 68.868 -0.022 0.000 0.874 552 T HN 0.263 nan 8.240 nan 0.000 0.466 553 F N 1.952 121.857 119.950 -0.075 0.000 2.102 553 F HA 0.086 4.612 4.527 -0.003 0.000 0.298 553 F C 1.982 177.722 175.800 -0.100 0.000 1.105 553 F CA 1.152 59.140 58.000 -0.021 0.000 1.239 553 F CB -0.317 38.710 39.000 0.044 0.000 0.991 553 F HN 0.059 nan 8.300 nan 0.000 0.474 554 L N -0.280 120.985 121.223 0.070 0.000 2.083 554 L HA -0.254 4.084 4.340 -0.003 0.000 0.209 554 L C 2.521 179.234 176.870 -0.261 0.000 1.083 554 L CA 1.417 56.172 54.840 -0.143 0.000 0.752 554 L CB -0.618 41.364 42.059 -0.128 0.000 0.899 554 L HN 0.255 nan 8.230 nan 0.000 0.433 555 M N -0.994 118.455 119.600 -0.251 0.000 2.202 555 M HA -0.238 4.240 4.480 -0.003 0.000 0.262 555 M C 2.410 178.521 176.300 -0.315 0.000 1.063 555 M CA 1.657 56.791 55.300 -0.276 0.000 1.097 555 M CB -0.319 32.102 32.600 -0.298 0.000 1.382 555 M HN 0.170 nan 8.290 nan 0.000 0.413 556 R N -1.004 119.245 120.500 -0.419 0.000 2.090 556 R HA -0.057 4.281 4.340 -0.003 0.000 0.219 556 R C 1.718 177.601 176.300 -0.696 0.000 1.100 556 R CA 1.007 56.749 56.100 -0.596 0.000 0.991 556 R CB 0.219 30.038 30.300 -0.800 0.000 0.893 556 R HN 0.416 nan 8.270 nan 0.000 0.443 557 H N -0.932 117.815 119.070 -0.538 0.000 2.885 557 H HA 0.314 4.869 4.556 -0.003 0.000 0.260 557 H C 0.043 175.065 175.328 -0.510 0.000 0.985 557 H CA 0.373 56.068 56.048 -0.589 0.000 1.210 557 H CB 0.456 29.612 29.762 -1.011 0.000 1.466 557 H HN 0.173 nan 8.280 nan 0.000 0.493 558 A N 1.722 124.300 122.820 -0.404 0.000 2.540 558 A HA 0.013 4.331 4.320 -0.003 0.000 0.239 558 A C 1.478 179.044 177.584 -0.030 0.000 1.061 558 A CA -0.079 51.771 52.037 -0.313 0.000 0.758 558 A CB 0.368 19.264 19.000 -0.173 0.000 0.991 558 A HN 0.342 nan 8.150 nan 0.000 0.502 559 R N 1.139 121.746 120.500 0.178 0.000 2.075 559 R HA -0.077 4.262 4.340 -0.003 0.000 0.232 559 R C 0.596 176.956 176.300 0.100 0.000 1.126 559 R CA 0.987 57.179 56.100 0.155 0.000 0.963 559 R CB -0.056 30.362 30.300 0.197 0.000 0.858 559 R HN 0.825 nan 8.270 nan 0.000 0.435 560 N N 1.014 119.788 118.700 0.123 0.000 2.455 560 N HA -0.030 4.708 4.740 -0.003 0.000 0.280 560 N C -0.261 175.314 175.510 0.109 0.000 1.055 560 N CA -0.037 53.083 53.050 0.118 0.000 0.961 560 N CB 1.508 40.089 38.487 0.157 0.000 1.121 560 N HN -0.060 nan 8.380 nan 0.000 0.476 561 D N 2.252 122.704 120.400 0.087 0.000 2.182 561 D HA -0.176 4.462 4.640 -0.003 0.000 0.201 561 D C 1.383 177.748 176.300 0.110 0.000 0.986 561 D CA 0.978 55.017 54.000 0.065 0.000 0.847 561 D CB -0.182 40.640 40.800 0.036 0.000 0.942 561 D HN 0.610 nan 8.370 nan 0.000 0.467 562 F N 1.525 121.504 119.950 0.049 0.000 2.126 562 F HA -0.237 4.289 4.527 -0.003 0.000 0.299 562 F C 2.337 178.242 175.800 0.176 0.000 1.096 562 F CA 1.354 59.417 58.000 0.104 0.000 1.255 562 F CB -0.142 38.902 39.000 0.074 0.000 0.997 562 F HN -0.165 nan 8.300 nan 0.000 0.479 563 S N 0.411 116.217 115.700 0.175 0.000 2.382 563 S HA -0.163 4.306 4.470 -0.003 0.000 0.228 563 S C 1.909 176.447 174.600 -0.104 0.000 1.027 563 S CA 1.259 59.493 58.200 0.057 0.000 0.991 563 S CB -0.314 62.967 63.200 0.135 0.000 0.823 563 S HN 0.421 nan 8.310 nan 0.000 0.469 564 R N -0.342 120.111 120.500 -0.078 0.000 2.073 564 R HA -0.118 4.220 4.340 -0.003 0.000 0.234 564 R C 2.146 178.361 176.300 -0.141 0.000 1.134 564 R CA 1.611 57.634 56.100 -0.128 0.000 0.952 564 R CB -0.374 29.867 30.300 -0.098 0.000 0.850 564 R HN 0.546 nan 8.270 nan 0.000 0.433 565 W N 2.367 123.490 121.300 -0.295 0.000 2.381 565 W HA -0.181 4.477 4.660 -0.003 0.000 0.301 565 W C 1.664 177.963 176.519 -0.367 0.000 1.205 565 W CA 1.633 58.797 57.345 -0.302 0.000 1.285 565 W CB -0.290 28.986 29.460 -0.307 0.000 1.133 565 W HN 0.012 nan 8.180 nan 0.000 0.521 566 D N 0.067 120.176 120.400 -0.483 0.000 2.144 566 D HA -0.172 4.466 4.640 -0.003 0.000 0.199 566 D C 2.283 178.258 176.300 -0.542 0.000 0.984 566 D CA 2.045 55.648 54.000 -0.662 0.000 0.834 566 D CB -0.581 39.921 40.800 -0.497 0.000 0.955 566 D HN 0.156 nan 8.370 nan 0.000 0.465 567 A N 0.595 123.151 122.820 -0.439 0.000 1.908 567 A HA -0.038 4.280 4.320 -0.003 0.000 0.218 567 A C 2.378 179.712 177.584 -0.416 0.000 1.181 567 A CA 2.349 54.112 52.037 -0.457 0.000 0.627 567 A CB -1.020 17.751 19.000 -0.382 0.000 0.818 567 A HN 0.291 nan 8.150 nan 0.000 0.445 568 A N -1.193 121.378 122.820 -0.415 0.000 1.933 568 A HA -0.184 4.135 4.320 -0.003 0.000 0.218 568 A C 2.097 179.502 177.584 -0.298 0.000 1.175 568 A CA 1.752 53.587 52.037 -0.338 0.000 0.628 568 A CB -0.422 18.375 19.000 -0.339 0.000 0.814 568 A HN 0.500 nan 8.150 nan 0.000 0.444 569 Q N 0.039 119.505 119.800 -0.557 0.000 2.079 569 Q HA -0.077 4.261 4.340 -0.003 0.000 0.200 569 Q C 2.397 178.227 176.000 -0.282 0.000 0.974 569 Q CA 1.746 57.244 55.803 -0.508 0.000 0.840 569 Q CB -0.854 27.382 28.738 -0.836 0.000 0.898 569 Q HN 0.620 nan 8.270 nan 0.000 0.430 570 S N 1.162 116.685 115.700 -0.295 0.000 2.382 570 S HA -0.106 4.363 4.470 -0.003 0.000 0.228 570 S C 1.884 176.416 174.600 -0.113 0.000 1.027 570 S CA 0.754 58.836 58.200 -0.197 0.000 0.991 570 S CB -0.239 62.746 63.200 -0.359 0.000 0.823 570 S HN 0.223 nan 8.310 nan 0.000 0.469 571 L N 1.380 122.539 121.223 -0.107 0.000 2.017 571 L HA 0.003 4.342 4.340 -0.003 0.000 0.208 571 L C 1.902 178.873 176.870 0.168 0.000 1.073 571 L CA 1.530 56.404 54.840 0.056 0.000 0.745 571 L CB -0.653 41.440 42.059 0.055 0.000 0.894 571 L HN 0.185 nan 8.230 nan 0.000 0.432 572 L N -0.218 121.072 121.223 0.111 0.000 2.083 572 L HA -0.083 4.256 4.340 -0.003 0.000 0.209 572 L C 2.725 179.628 176.870 0.054 0.000 1.083 572 L CA 1.858 56.769 54.840 0.118 0.000 0.752 572 L CB -1.858 40.225 42.059 0.040 0.000 0.899 572 L HN 0.373 nan 8.230 nan 0.000 0.433 573 A N -1.157 121.648 122.820 -0.024 0.000 1.903 573 A HA -0.290 4.028 4.320 -0.003 0.000 0.219 573 A C 2.360 179.882 177.584 -0.102 0.000 1.191 573 A CA 2.591 54.587 52.037 -0.068 0.000 0.638 573 A CB -1.094 17.860 19.000 -0.077 0.000 0.823 573 A HN 0.443 nan 8.150 nan 0.000 0.451 574 T N -1.333 113.134 114.554 -0.146 0.000 2.720 574 T HA -0.179 4.170 4.350 -0.003 0.000 0.268 574 T C 1.649 176.078 174.700 -0.451 0.000 1.037 574 T CA 2.020 63.916 62.100 -0.342 0.000 1.144 574 T CB -0.430 68.135 68.868 -0.504 0.000 0.864 574 T HN 0.613 nan 8.240 nan 0.000 0.444 575 Y N 0.161 120.468 120.300 0.011 0.000 2.490 575 Y HA 0.303 4.851 4.550 -0.003 0.000 0.285 575 Y C 2.053 177.967 175.900 0.024 0.000 1.117 575 Y CA -0.348 57.759 58.100 0.012 0.000 1.262 575 Y CB -0.453 38.002 38.460 -0.008 0.000 1.043 575 Y HN 0.187 nan 8.280 nan 0.000 0.553 576 I N 0.086 120.722 120.570 0.110 0.000 2.202 576 I HA -0.303 3.866 4.170 -0.003 0.000 0.242 576 I C 2.162 178.391 176.117 0.186 0.000 1.091 576 I CA 1.509 62.882 61.300 0.121 0.000 1.368 576 I CB -0.271 37.783 38.000 0.091 0.000 1.058 576 I HN 0.108 nan 8.210 nan 0.000 0.410 577 K N 0.286 120.735 120.400 0.080 0.000 2.026 577 K HA -0.207 4.111 4.320 -0.003 0.000 0.208 577 K C 2.108 178.800 176.600 0.154 0.000 1.048 577 K CA 1.294 57.656 56.287 0.124 0.000 0.929 577 K CB -0.379 32.057 32.500 -0.106 0.000 0.713 577 K HN 0.120 nan 8.250 nan 0.000 0.439 578 L N 2.145 123.405 121.223 0.062 0.000 1.990 578 L HA -0.224 4.114 4.340 -0.003 0.000 0.213 578 L C 1.568 178.508 176.870 0.116 0.000 1.072 578 L CA 1.862 56.747 54.840 0.076 0.000 0.755 578 L CB -0.519 41.587 42.059 0.077 0.000 0.889 578 L HN 0.194 nan 8.230 nan 0.000 0.432 579 N N -1.002 117.778 118.700 0.133 0.000 2.354 579 N HA -0.071 4.668 4.740 -0.003 0.000 0.179 579 N C 1.829 177.410 175.510 0.119 0.000 1.021 579 N CA 1.298 54.420 53.050 0.120 0.000 0.887 579 N CB 0.003 38.554 38.487 0.106 0.000 0.974 579 N HN 0.286 nan 8.380 nan 0.000 0.437 580 V N 1.735 121.726 119.914 0.129 0.000 2.358 580 V HA -0.177 3.941 4.120 -0.003 0.000 0.246 580 V C 2.484 178.621 176.094 0.072 0.000 1.047 580 V CA 1.765 64.095 62.300 0.050 0.000 1.035 580 V CB -0.790 30.994 31.823 -0.066 0.000 0.658 580 V HN 0.246 nan 8.190 nan 0.000 0.452 581 A N -0.082 122.803 122.820 0.109 0.000 1.902 581 A HA -0.231 4.087 4.320 -0.003 0.000 0.217 581 A C 2.367 179.996 177.584 0.075 0.000 1.181 581 A CA 1.844 53.932 52.037 0.086 0.000 0.623 581 A CB -0.476 18.579 19.000 0.091 0.000 0.818 581 A HN 0.511 nan 8.150 nan 0.000 0.443 582 R N -1.590 118.961 120.500 0.085 0.000 2.081 582 R HA -0.136 4.202 4.340 -0.003 0.000 0.235 582 R C 2.343 178.679 176.300 0.061 0.000 1.131 582 R CA 1.312 57.452 56.100 0.065 0.000 0.960 582 R CB -0.581 29.759 30.300 0.068 0.000 0.856 582 R HN 0.767 nan 8.270 nan 0.000 0.436 583 H N 1.437 120.508 119.070 0.002 0.000 2.352 583 H HA -0.145 4.409 4.556 -0.003 0.000 0.299 583 H C 1.631 176.950 175.328 -0.016 0.000 1.097 583 H CA 1.839 57.880 56.048 -0.011 0.000 1.311 583 H CB 0.215 29.962 29.762 -0.024 0.000 1.377 583 H HN 0.305 nan 8.280 nan 0.000 0.504 584 Q N -0.239 119.625 119.800 0.108 0.000 2.226 584 Q HA -0.143 4.196 4.340 -0.003 0.000 0.204 584 Q C 1.428 177.417 176.000 -0.018 0.000 0.975 584 Q CA 1.149 56.984 55.803 0.052 0.000 0.866 584 Q CB 0.168 28.938 28.738 0.053 0.000 0.915 584 Q HN 0.358 nan 8.270 nan 0.000 0.440 585 Q N -1.037 118.750 119.800 -0.022 0.000 2.204 585 Q HA 0.188 4.526 4.340 -0.003 0.000 0.209 585 Q C 0.304 176.271 176.000 -0.056 0.000 0.861 585 Q CA 0.455 56.241 55.803 -0.028 0.000 0.971 585 Q CB 0.888 29.623 28.738 -0.005 0.000 1.095 585 Q HN 0.435 nan 8.270 nan 0.000 0.486 586 G N 0.538 109.269 108.800 -0.115 0.000 2.198 586 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.260 586 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.260 586 G C -0.196 174.649 174.900 -0.093 0.000 1.025 586 G CA 0.161 45.176 45.100 -0.141 0.000 0.769 586 G HN 0.355 nan 8.290 nan 0.000 0.507 587 Q N 0.079 119.840 119.800 -0.065 0.000 2.257 587 Q HA 0.597 4.935 4.340 -0.003 0.000 0.262 587 Q C -2.114 173.880 176.000 -0.010 0.000 0.997 587 Q CA -1.975 53.812 55.803 -0.026 0.000 0.873 587 Q CB 2.352 31.089 28.738 -0.002 0.000 1.312 587 Q HN 0.294 nan 8.270 nan 0.000 0.450 588 P HA 0.110 nan 4.420 nan 0.000 0.279 588 P C -0.749 176.568 177.300 0.027 0.000 1.276 588 P CA -0.655 62.453 63.100 0.014 0.000 0.801 588 P CB 0.689 32.393 31.700 0.007 0.000 1.127 589 L N 0.521 121.761 121.223 0.029 0.000 2.525 589 L HA 0.162 4.500 4.340 -0.003 0.000 0.278 589 L C 0.464 177.344 176.870 0.017 0.000 1.218 589 L CA 1.002 55.858 54.840 0.028 0.000 0.878 589 L CB 0.188 42.253 42.059 0.012 0.000 1.127 589 L HN 0.391 nan 8.230 nan 0.000 0.492 590 S N 4.903 120.620 115.700 0.029 0.000 2.502 590 S HA 0.761 5.230 4.470 -0.003 0.000 0.304 590 S C -1.224 173.371 174.600 -0.009 0.000 1.097 590 S CA -0.682 57.528 58.200 0.016 0.000 1.045 590 S CB 1.024 64.252 63.200 0.046 0.000 1.019 590 S HN 0.574 nan 8.310 nan 0.000 0.481 591 L N 5.964 127.132 121.223 -0.092 0.000 2.516 591 L HA 0.618 4.957 4.340 -0.003 0.000 0.267 591 L C -2.582 174.111 176.870 -0.296 0.000 0.957 591 L CA -1.197 53.495 54.840 -0.246 0.000 0.860 591 L CB 1.835 43.758 42.059 -0.228 0.000 1.265 591 L HN 0.504 nan 8.230 nan 0.000 0.403 592 P HA 0.136 nan 4.420 nan 0.000 0.267 592 P C 1.000 178.058 177.300 -0.403 0.000 1.200 592 P CA -0.417 62.430 63.100 -0.422 0.000 0.772 592 P CB 0.813 32.101 31.700 -0.687 0.000 0.855 593 V N 2.380 122.166 119.914 -0.213 0.000 2.324 593 V HA -0.301 3.817 4.120 -0.003 0.000 0.250 593 V C 2.308 178.335 176.094 -0.112 0.000 1.060 593 V CA 2.332 64.561 62.300 -0.119 0.000 1.042 593 V CB -1.576 30.231 31.823 -0.026 0.000 0.650 593 V HN 0.781 nan 8.190 nan 0.000 0.450 594 H N -0.719 118.322 119.070 -0.047 0.000 2.489 594 H HA -0.054 4.501 4.556 -0.002 0.000 0.293 594 H C 2.133 177.438 175.328 -0.038 0.000 1.066 594 H CA 1.709 57.737 56.048 -0.033 0.000 1.305 594 H CB -0.612 29.142 29.762 -0.013 0.000 1.386 594 H HN 0.374 nan 8.280 nan 0.000 0.551 595 V N 1.876 121.569 119.914 -0.369 0.000 2.323 595 V HA -0.170 3.948 4.120 -0.003 0.000 0.244 595 V C 3.230 179.345 176.094 0.035 0.000 1.041 595 V CA 1.540 63.738 62.300 -0.171 0.000 1.025 595 V CB -1.088 30.490 31.823 -0.408 0.000 0.656 595 V HN 0.616 nan 8.190 nan 0.000 0.451 596 A N 0.080 122.864 122.820 -0.059 0.000 1.940 596 A HA -0.287 4.031 4.320 -0.003 0.000 0.219 596 A C 1.962 179.573 177.584 0.046 0.000 1.176 596 A CA 2.166 54.202 52.037 -0.001 0.000 0.631 596 A CB -0.703 18.252 19.000 -0.076 0.000 0.814 596 A HN 0.543 nan 8.150 nan 0.000 0.446 597 D N 0.017 120.424 120.400 0.011 0.000 2.149 597 D HA -0.073 4.565 4.640 -0.003 0.000 0.198 597 D C 2.204 178.492 176.300 -0.019 0.000 0.990 597 D CA 1.465 55.468 54.000 0.004 0.000 0.839 597 D CB -0.412 40.397 40.800 0.016 0.000 0.948 597 D HN 0.451 nan 8.370 nan 0.000 0.460 598 A N -0.005 122.795 122.820 -0.033 0.000 1.933 598 A HA -0.147 4.172 4.320 -0.003 0.000 0.218 598 A C 2.009 179.403 177.584 -0.316 0.000 1.175 598 A CA 0.984 52.908 52.037 -0.187 0.000 0.628 598 A CB -0.875 17.971 19.000 -0.256 0.000 0.814 598 A HN 0.168 nan 8.150 nan 0.000 0.444 599 F N -0.682 119.208 119.950 -0.099 0.000 2.206 599 F HA 0.023 4.548 4.527 -0.002 0.000 0.298 599 F C 2.390 178.122 175.800 -0.113 0.000 1.090 599 F CA 1.308 59.241 58.000 -0.112 0.000 1.323 599 F CB -0.249 38.664 39.000 -0.144 0.000 1.028 599 F HN 0.127 nan 8.300 nan 0.000 0.492 600 R N 0.667 121.191 120.500 0.040 0.000 2.091 600 R HA -0.196 4.143 4.340 -0.003 0.000 0.238 600 R C 2.330 178.607 176.300 -0.038 0.000 1.136 600 R CA 1.424 57.516 56.100 -0.013 0.000 0.959 600 R CB -0.504 29.784 30.300 -0.020 0.000 0.856 600 R HN 0.278 nan 8.270 nan 0.000 0.437 601 A N 0.080 122.860 122.820 -0.066 0.000 1.933 601 A HA -0.099 4.220 4.320 -0.003 0.000 0.218 601 A C 2.245 179.773 177.584 -0.095 0.000 1.175 601 A CA 1.477 53.462 52.037 -0.087 0.000 0.628 601 A CB -0.424 18.507 19.000 -0.115 0.000 0.814 601 A HN 0.232 nan 8.150 nan 0.000 0.444 602 V N -0.047 119.800 119.914 -0.112 0.000 2.343 602 V HA -0.254 3.864 4.120 -0.003 0.000 0.247 602 V C 2.547 178.619 176.094 -0.037 0.000 1.051 602 V CA 1.920 64.165 62.300 -0.092 0.000 1.036 602 V CB -0.720 31.038 31.823 -0.108 0.000 0.654 602 V HN 0.578 nan 8.190 nan 0.000 0.451 603 L N -0.760 120.454 121.223 -0.016 0.000 2.042 603 L HA -0.168 4.171 4.340 -0.003 0.000 0.210 603 L C 2.117 178.983 176.870 -0.007 0.000 1.076 603 L CA 1.574 56.415 54.840 0.002 0.000 0.749 603 L CB -0.284 41.775 42.059 -0.000 0.000 0.893 603 L HN 0.312 nan 8.230 nan 0.000 0.432 604 L N -1.359 119.850 121.223 -0.022 0.000 2.592 604 L HA 0.060 4.398 4.340 -0.003 0.000 0.227 604 L C 0.447 177.298 176.870 -0.031 0.000 1.127 604 L CA -0.317 54.510 54.840 -0.022 0.000 0.884 604 L CB -0.227 41.817 42.059 -0.024 0.000 1.065 604 L HN 0.109 nan 8.230 nan 0.000 0.457 605 D N 1.503 121.877 120.400 -0.042 0.000 2.382 605 D HA -0.036 4.603 4.640 -0.003 0.000 0.259 605 D C 0.834 177.112 176.300 -0.038 0.000 1.224 605 D CA 0.365 54.334 54.000 -0.052 0.000 0.894 605 D CB 1.014 41.770 40.800 -0.072 0.000 1.127 605 D HN 0.233 nan 8.370 nan 0.000 0.487 606 E N 2.292 122.471 120.200 -0.034 0.000 2.435 606 E HA -0.049 4.300 4.350 -0.003 0.000 0.195 606 E C 1.087 177.670 176.600 -0.028 0.000 1.029 606 E CA 0.503 56.887 56.400 -0.026 0.000 0.865 606 E CB 0.503 30.190 29.700 -0.022 0.000 0.833 606 E HN 0.445 nan 8.360 nan 0.000 0.510 607 K N 0.321 120.699 120.400 -0.036 0.000 2.348 607 K HA 0.174 4.492 4.320 -0.003 0.000 0.194 607 K C 0.872 177.450 176.600 -0.037 0.000 1.052 607 K CA -0.151 56.114 56.287 -0.036 0.000 1.004 607 K CB 0.681 33.156 32.500 -0.042 0.000 0.873 607 K HN 0.045 nan 8.250 nan 0.000 0.523 608 I N 2.784 123.329 120.570 -0.043 0.000 2.710 608 I HA -0.086 4.083 4.170 -0.003 0.000 0.286 608 I C -0.006 176.095 176.117 -0.027 0.000 1.181 608 I CA -0.101 61.174 61.300 -0.041 0.000 1.430 608 I CB 0.466 38.437 38.000 -0.049 0.000 1.367 608 I HN 0.104 nan 8.210 nan 0.000 0.577 609 D N 9.884 130.269 120.400 -0.024 0.000 2.487 609 D HA 0.022 4.660 4.640 -0.003 0.000 0.243 609 D C -1.674 174.619 176.300 -0.012 0.000 1.154 609 D CA -1.678 52.311 54.000 -0.019 0.000 0.876 609 D CB 1.308 42.096 40.800 -0.019 0.000 1.161 609 D HN 0.283 nan 8.370 nan 0.000 0.478 610 P HA -0.120 nan 4.420 nan 0.000 0.219 610 P C 0.915 178.217 177.300 0.004 0.000 1.146 610 P CA 1.387 64.487 63.100 -0.000 0.000 0.808 610 P CB 0.086 31.783 31.700 -0.005 0.000 0.779 611 A N -0.431 122.384 122.820 -0.008 0.000 1.902 611 A HA -0.179 4.140 4.320 -0.003 0.000 0.217 611 A C 2.130 179.706 177.584 -0.014 0.000 1.181 611 A CA 1.582 53.611 52.037 -0.014 0.000 0.623 611 A CB -1.572 17.413 19.000 -0.026 0.000 0.818 611 A HN 0.199 nan 8.150 nan 0.000 0.443 612 L N -0.365 120.852 121.223 -0.010 0.000 2.044 612 L HA 0.061 4.400 4.340 -0.003 0.000 0.205 612 L C 2.650 179.544 176.870 0.040 0.000 1.075 612 L CA 2.147 56.989 54.840 0.003 0.000 0.747 612 L CB -0.933 41.126 42.059 -0.000 0.000 0.903 612 L HN 0.321 nan 8.230 nan 0.000 0.435 613 A N -0.051 122.788 122.820 0.032 0.000 1.892 613 A HA -0.223 4.095 4.320 -0.003 0.000 0.218 613 A C 2.479 180.123 177.584 0.099 0.000 1.188 613 A CA 2.287 54.357 52.037 0.055 0.000 0.631 613 A CB -1.366 17.656 19.000 0.036 0.000 0.822 613 A HN 0.628 nan 8.150 nan 0.000 0.447 614 A N -0.684 122.184 122.820 0.080 0.000 1.940 614 A HA -0.163 4.155 4.320 -0.003 0.000 0.219 614 A C 1.947 179.603 177.584 0.121 0.000 1.176 614 A CA 1.817 53.912 52.037 0.097 0.000 0.631 614 A CB -0.388 18.647 19.000 0.059 0.000 0.814 614 A HN 0.491 nan 8.150 nan 0.000 0.446 615 E N -0.098 120.161 120.200 0.098 0.000 2.107 615 E HA -0.058 4.291 4.350 -0.003 0.000 0.191 615 E C 1.974 178.803 176.600 0.382 0.000 0.982 615 E CA 0.773 57.248 56.400 0.126 0.000 0.809 615 E CB -0.429 29.198 29.700 -0.122 0.000 0.756 615 E HN 0.730 nan 8.360 nan 0.000 0.459 616 I N 0.803 121.599 120.570 0.377 0.000 2.286 616 I HA -0.237 3.931 4.170 -0.003 0.000 0.248 616 I C 1.940 178.285 176.117 0.380 0.000 1.115 616 I CA 0.935 62.450 61.300 0.358 0.000 1.392 616 I CB -0.140 37.963 38.000 0.171 0.000 1.065 616 I HN 0.008 nan 8.210 nan 0.000 0.418 617 L N 0.079 121.498 121.223 0.327 0.000 2.612 617 L HA 0.054 4.392 4.340 -0.003 0.000 0.230 617 L C 0.233 177.308 176.870 0.342 0.000 1.140 617 L CA 0.191 55.260 54.840 0.383 0.000 0.896 617 L CB -0.418 41.853 42.059 0.353 0.000 1.065 617 L HN 0.066 nan 8.230 nan 0.000 0.447 618 T N 1.509 116.210 114.554 0.244 0.000 2.770 618 T HA 0.400 4.748 4.350 -0.003 0.000 0.297 618 T C 0.219 174.999 174.700 0.132 0.000 0.997 618 T CA -0.413 61.768 62.100 0.136 0.000 0.949 618 T CB 0.940 69.880 68.868 0.121 0.000 0.941 618 T HN -0.001 nan 8.240 nan 0.000 0.457 619 L N 5.273 126.517 121.223 0.036 0.000 2.461 619 L HA 0.250 4.588 4.340 -0.003 0.000 0.272 619 L C -1.660 175.229 176.870 0.031 0.000 1.197 619 L CA -1.960 52.889 54.840 0.014 0.000 0.836 619 L CB -0.095 41.927 42.059 -0.062 0.000 1.105 619 L HN 0.309 nan 8.230 nan 0.000 0.477 620 P HA -0.020 nan 4.420 nan 0.000 0.265 620 P C -0.373 176.941 177.300 0.022 0.000 1.187 620 P CA -0.188 62.938 63.100 0.045 0.000 0.766 620 P CB 0.407 32.117 31.700 0.017 0.000 0.820 621 S N 1.097 116.815 115.700 0.030 0.000 2.608 621 S HA 0.066 4.534 4.470 -0.003 0.000 0.261 621 S C 1.574 176.187 174.600 0.021 0.000 1.314 621 S CA -0.110 58.099 58.200 0.014 0.000 0.992 621 S CB 0.054 63.265 63.200 0.019 0.000 0.935 621 S HN 0.388 nan 8.310 nan 0.000 0.564 622 V N -0.306 119.617 119.914 0.014 0.000 2.568 622 V HA -0.197 3.922 4.120 -0.003 0.000 0.253 622 V C 1.748 177.877 176.094 0.057 0.000 1.072 622 V CA 2.044 64.361 62.300 0.028 0.000 1.084 622 V CB -1.756 30.076 31.823 0.015 0.000 0.676 622 V HN 0.841 nan 8.190 nan 0.000 0.469 623 N N 0.623 119.354 118.700 0.052 0.000 2.142 623 N HA -0.119 4.619 4.740 -0.003 0.000 0.186 623 N C 1.903 177.454 175.510 0.068 0.000 1.023 623 N CA 1.522 54.612 53.050 0.066 0.000 0.852 623 N CB -0.246 38.273 38.487 0.052 0.000 0.998 623 N HN 0.636 nan 8.380 nan 0.000 0.424 624 E N 0.665 120.896 120.200 0.051 0.000 2.077 624 E HA -0.146 4.202 4.350 -0.003 0.000 0.193 624 E C 1.880 178.519 176.600 0.065 0.000 0.989 624 E CA 0.989 57.416 56.400 0.044 0.000 0.800 624 E CB -0.058 29.664 29.700 0.036 0.000 0.746 624 E HN 0.398 nan 8.360 nan 0.000 0.452 625 M N 0.514 120.166 119.600 0.086 0.000 2.117 625 M HA -0.152 4.327 4.480 -0.003 0.000 0.262 625 M C 2.538 178.998 176.300 0.266 0.000 1.065 625 M CA 1.373 56.763 55.300 0.150 0.000 1.114 625 M CB -0.291 32.403 32.600 0.156 0.000 1.361 625 M HN 0.131 nan 8.290 nan 0.000 0.408 626 A N 0.156 123.105 122.820 0.215 0.000 1.948 626 A HA -0.233 4.085 4.320 -0.003 0.000 0.220 626 A C 1.916 179.645 177.584 0.242 0.000 1.177 626 A CA 2.137 54.320 52.037 0.244 0.000 0.636 626 A CB -0.723 18.354 19.000 0.128 0.000 0.815 626 A HN 0.475 nan 8.150 nan 0.000 0.449 627 E N 0.360 120.653 120.200 0.156 0.000 2.209 627 E HA -0.139 4.209 4.350 -0.003 0.000 0.196 627 E C 1.553 178.189 176.600 0.061 0.000 0.993 627 E CA 1.077 57.556 56.400 0.131 0.000 0.819 627 E CB -0.518 29.265 29.700 0.139 0.000 0.745 627 E HN 0.654 nan 8.360 nan 0.000 0.477 628 L N -0.475 120.707 121.223 -0.068 0.000 2.551 628 L HA 0.072 4.411 4.340 -0.003 0.000 0.228 628 L C -0.044 176.477 176.870 -0.581 0.000 1.153 628 L CA 0.034 54.638 54.840 -0.393 0.000 0.851 628 L CB -0.120 41.525 42.059 -0.690 0.000 0.959 628 L HN -0.003 nan 8.230 nan 0.000 0.451 629 F N -1.288 118.663 119.950 0.003 0.000 2.520 629 F HA 0.262 4.787 4.527 -0.002 0.000 0.322 629 F C 1.017 176.795 175.800 -0.036 0.000 1.103 629 F CA -1.012 56.974 58.000 -0.022 0.000 0.926 629 F CB 1.088 40.060 39.000 -0.048 0.000 1.154 629 F HN -0.232 nan 8.300 nan 0.000 0.453 630 D N 1.300 121.785 120.400 0.142 0.000 2.084 630 D HA -0.047 4.591 4.640 -0.003 0.000 0.194 630 D C 0.678 176.988 176.300 0.016 0.000 0.990 630 D CA 1.740 55.777 54.000 0.062 0.000 0.826 630 D CB 0.282 41.109 40.800 0.044 0.000 0.971 630 D HN 0.050 nan 8.370 nan 0.000 0.453 631 I N 1.800 122.378 120.570 0.015 0.000 2.339 631 I HA 0.240 4.409 4.170 -0.003 0.000 0.290 631 I C 0.284 176.305 176.117 -0.159 0.000 0.994 631 I CA -0.707 60.540 61.300 -0.089 0.000 1.191 631 I CB 1.184 39.150 38.000 -0.057 0.000 1.343 631 I HN -0.160 nan 8.210 nan 0.000 0.458 632 I N 5.402 125.757 120.570 -0.358 0.000 2.416 632 I HA 0.080 4.249 4.170 -0.003 0.000 0.288 632 I C 0.379 176.294 176.117 -0.336 0.000 1.051 632 I CA -0.006 61.046 61.300 -0.412 0.000 1.375 632 I CB 0.622 38.249 38.000 -0.622 0.000 1.407 632 I HN 0.444 nan 8.210 nan 0.000 0.516 633 D N 9.673 129.880 120.400 -0.322 0.000 2.485 633 D HA 0.219 4.858 4.640 -0.003 0.000 0.229 633 D C -1.612 174.585 176.300 -0.172 0.000 1.101 633 D CA -2.304 51.574 54.000 -0.204 0.000 0.906 633 D CB 1.430 42.092 40.800 -0.231 0.000 1.019 633 D HN 0.230 nan 8.370 nan 0.000 0.516 634 P HA -0.041 nan 4.420 nan 0.000 0.222 634 P C 1.772 179.042 177.300 -0.050 0.000 1.153 634 P CA 0.446 63.548 63.100 0.003 0.000 0.798 634 P CB 0.757 32.543 31.700 0.142 0.000 0.796 635 I N 0.275 120.808 120.570 -0.062 0.000 2.233 635 I HA -0.177 3.991 4.170 -0.003 0.000 0.243 635 I C 2.646 178.594 176.117 -0.282 0.000 1.093 635 I CA 1.352 62.594 61.300 -0.096 0.000 1.380 635 I CB -0.961 37.027 38.000 -0.020 0.000 1.067 635 I HN -0.101 nan 8.210 nan 0.000 0.413 636 A N 1.215 123.796 122.820 -0.399 0.000 1.908 636 A HA -0.198 4.120 4.320 -0.003 0.000 0.218 636 A C 2.317 179.612 177.584 -0.481 0.000 1.181 636 A CA 1.635 53.207 52.037 -0.774 0.000 0.627 636 A CB -0.905 17.842 19.000 -0.422 0.000 0.818 636 A HN 0.373 nan 8.150 nan 0.000 0.445 637 I N -0.339 120.046 120.570 -0.309 0.000 2.163 637 I HA -0.311 3.858 4.170 -0.003 0.000 0.243 637 I C 3.001 179.034 176.117 -0.140 0.000 1.085 637 I CA 1.166 62.355 61.300 -0.186 0.000 1.347 637 I CB -0.337 37.587 38.000 -0.127 0.000 1.044 637 I HN 0.372 nan 8.210 nan 0.000 0.408 638 A N 0.202 122.941 122.820 -0.135 0.000 1.877 638 A HA -0.205 4.114 4.320 -0.003 0.000 0.216 638 A C 2.241 179.758 177.584 -0.112 0.000 1.186 638 A CA 1.563 53.542 52.037 -0.097 0.000 0.620 638 A CB -0.447 18.512 19.000 -0.068 0.000 0.822 638 A HN 0.341 nan 8.150 nan 0.000 0.443 639 E N -0.178 119.924 120.200 -0.163 0.000 2.072 639 E HA -0.105 4.243 4.350 -0.003 0.000 0.191 639 E C 2.238 178.786 176.600 -0.086 0.000 0.985 639 E CA 1.275 57.608 56.400 -0.112 0.000 0.801 639 E CB -0.662 28.960 29.700 -0.130 0.000 0.750 639 E HN 0.375 nan 8.360 nan 0.000 0.452 640 V N 1.284 121.121 119.914 -0.127 0.000 2.343 640 V HA -0.234 3.884 4.120 -0.003 0.000 0.247 640 V C 2.616 178.667 176.094 -0.070 0.000 1.051 640 V CA 1.846 64.110 62.300 -0.061 0.000 1.036 640 V CB -0.475 31.322 31.823 -0.043 0.000 0.654 640 V HN 0.184 nan 8.190 nan 0.000 0.451 641 R N -0.031 120.414 120.500 -0.092 0.000 2.083 641 R HA -0.247 4.091 4.340 -0.003 0.000 0.237 641 R C 2.409 178.589 176.300 -0.199 0.000 1.137 641 R CA 2.242 58.269 56.100 -0.120 0.000 0.951 641 R CB -0.277 29.957 30.300 -0.110 0.000 0.851 641 R HN 0.682 nan 8.270 nan 0.000 0.434 642 E N -0.410 119.670 120.200 -0.200 0.000 2.051 642 E HA -0.198 4.151 4.350 -0.003 0.000 0.192 642 E C 1.767 178.229 176.600 -0.230 0.000 0.991 642 E CA 1.242 57.464 56.400 -0.296 0.000 0.799 642 E CB -0.119 29.498 29.700 -0.137 0.000 0.748 642 E HN 0.474 nan 8.360 nan 0.000 0.449 643 A N 0.951 123.707 122.820 -0.106 0.000 1.933 643 A HA -0.154 4.164 4.320 -0.003 0.000 0.218 643 A C 2.123 179.667 177.584 -0.067 0.000 1.175 643 A CA 1.199 53.204 52.037 -0.053 0.000 0.628 643 A CB -0.621 18.377 19.000 -0.004 0.000 0.814 643 A HN 0.385 nan 8.150 nan 0.000 0.444 644 L N -0.111 121.062 121.223 -0.083 0.000 2.046 644 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 644 L C 2.468 179.302 176.870 -0.060 0.000 1.077 644 L CA 2.745 57.539 54.840 -0.078 0.000 0.747 644 L CB -1.063 40.949 42.059 -0.079 0.000 0.896 644 L HN 0.384 nan 8.230 nan 0.000 0.432 645 T N -0.475 114.002 114.554 -0.128 0.000 2.708 645 T HA -0.194 4.155 4.350 -0.003 0.000 0.266 645 T C 2.009 176.723 174.700 0.024 0.000 1.037 645 T CA 1.697 63.734 62.100 -0.103 0.000 1.146 645 T CB -0.212 68.280 68.868 -0.628 0.000 0.865 645 T HN 0.352 nan 8.240 nan 0.000 0.435 646 R N 0.435 120.896 120.500 -0.065 0.000 2.081 646 R HA -0.048 4.290 4.340 -0.003 0.000 0.235 646 R C 2.789 179.115 176.300 0.043 0.000 1.131 646 R CA 1.551 57.687 56.100 0.060 0.000 0.960 646 R CB -0.654 29.686 30.300 0.067 0.000 0.856 646 R HN 0.313 nan 8.270 nan 0.000 0.436 647 T N 1.619 116.171 114.554 -0.003 0.000 2.708 647 T HA -0.078 4.271 4.350 -0.003 0.000 0.266 647 T C 1.881 176.546 174.700 -0.058 0.000 1.037 647 T CA 1.048 63.129 62.100 -0.030 0.000 1.146 647 T CB -0.119 68.717 68.868 -0.052 0.000 0.865 647 T HN 0.120 nan 8.240 nan 0.000 0.435 648 L N 0.711 121.883 121.223 -0.084 0.000 2.093 648 L HA -0.044 4.294 4.340 -0.003 0.000 0.208 648 L C 3.032 179.788 176.870 -0.189 0.000 1.085 648 L CA 1.016 55.729 54.840 -0.211 0.000 0.755 648 L CB -0.670 41.146 42.059 -0.405 0.000 0.904 648 L HN 0.233 nan 8.230 nan 0.000 0.435 649 A N -0.200 122.616 122.820 -0.007 0.000 1.908 649 A HA -0.220 4.099 4.320 -0.003 0.000 0.218 649 A C 2.377 179.969 177.584 0.013 0.000 1.181 649 A CA 2.503 54.580 52.037 0.067 0.000 0.627 649 A CB -0.917 18.209 19.000 0.210 0.000 0.818 649 A HN 0.392 nan 8.150 nan 0.000 0.445 650 T N -0.167 114.393 114.554 0.009 0.000 2.737 650 T HA -0.082 4.266 4.350 -0.003 0.000 0.265 650 T C 1.791 176.476 174.700 -0.026 0.000 1.038 650 T CA 1.364 63.464 62.100 -0.001 0.000 1.144 650 T CB -0.228 68.642 68.868 0.004 0.000 0.866 650 T HN 0.460 nan 8.240 nan 0.000 0.434 651 E N 1.140 121.310 120.200 -0.050 0.000 2.204 651 E HA 0.035 4.383 4.350 -0.003 0.000 0.194 651 E C 1.594 178.155 176.600 -0.064 0.000 0.989 651 E CA 0.748 57.113 56.400 -0.058 0.000 0.824 651 E CB -0.117 29.538 29.700 -0.075 0.000 0.756 651 E HN 0.482 nan 8.360 nan 0.000 0.477 652 L N -0.324 120.846 121.223 -0.089 0.000 2.910 652 L HA 0.334 4.673 4.340 -0.003 0.000 0.252 652 L C 1.867 178.701 176.870 -0.059 0.000 1.195 652 L CA -0.097 54.688 54.840 -0.092 0.000 1.003 652 L CB 0.132 42.090 42.059 -0.168 0.000 1.328 652 L HN -0.075 nan 8.230 nan 0.000 0.540 653 A N 0.738 123.537 122.820 -0.034 0.000 1.892 653 A HA -0.252 4.066 4.320 -0.003 0.000 0.218 653 A C 1.871 179.456 177.584 0.001 0.000 1.188 653 A CA 2.281 54.313 52.037 -0.009 0.000 0.631 653 A CB -0.289 18.712 19.000 0.001 0.000 0.822 653 A HN 0.368 nan 8.150 nan 0.000 0.447 654 D N -0.563 119.837 120.400 -0.001 0.000 2.097 654 D HA -0.095 4.543 4.640 -0.003 0.000 0.197 654 D C 1.966 178.275 176.300 0.015 0.000 0.984 654 D CA 1.616 55.621 54.000 0.008 0.000 0.826 654 D CB -0.422 40.381 40.800 0.004 0.000 0.973 654 D HN 0.573 nan 8.370 nan 0.000 0.460 655 E N 0.553 120.755 120.200 0.003 0.000 2.077 655 E HA -0.079 4.269 4.350 -0.003 0.000 0.193 655 E C 2.350 178.966 176.600 0.027 0.000 0.989 655 E CA 0.373 56.777 56.400 0.007 0.000 0.800 655 E CB -0.312 29.381 29.700 -0.012 0.000 0.746 655 E HN 0.230 nan 8.360 nan 0.000 0.452 656 L N 0.044 121.279 121.223 0.019 0.000 2.042 656 L HA -0.188 4.150 4.340 -0.003 0.000 0.210 656 L C 2.324 179.260 176.870 0.110 0.000 1.076 656 L CA 0.685 55.560 54.840 0.059 0.000 0.749 656 L CB -0.398 41.686 42.059 0.042 0.000 0.893 656 L HN 0.190 nan 8.230 nan 0.000 0.432 657 L N -0.118 121.154 121.223 0.081 0.000 2.056 657 L HA -0.107 4.232 4.340 -0.003 0.000 0.207 657 L C 2.617 179.580 176.870 0.155 0.000 1.078 657 L CA 1.893 56.801 54.840 0.114 0.000 0.749 657 L CB -0.712 41.384 42.059 0.061 0.000 0.901 657 L HN 0.150 nan 8.230 nan 0.000 0.433 658 A N -0.247 122.631 122.820 0.097 0.000 1.883 658 A HA -0.186 4.133 4.320 -0.003 0.000 0.217 658 A C 2.112 179.751 177.584 0.091 0.000 1.186 658 A CA 2.048 54.133 52.037 0.079 0.000 0.624 658 A CB -0.736 18.292 19.000 0.047 0.000 0.822 658 A HN 0.413 nan 8.150 nan 0.000 0.444 659 I N -1.741 118.890 120.570 0.101 0.000 2.353 659 I HA -0.149 4.019 4.170 -0.003 0.000 0.248 659 I C 2.312 178.505 176.117 0.127 0.000 1.119 659 I CA 1.032 62.388 61.300 0.094 0.000 1.417 659 I CB -1.620 36.431 38.000 0.085 0.000 1.078 659 I HN 0.553 nan 8.210 nan 0.000 0.421 660 Y N 2.553 122.889 120.300 0.061 0.000 2.097 660 Y HA -0.297 4.251 4.550 -0.002 0.000 0.282 660 Y C 2.310 178.259 175.900 0.082 0.000 1.152 660 Y CA 2.308 60.452 58.100 0.074 0.000 1.136 660 Y CB -0.646 37.857 38.460 0.073 0.000 0.975 660 Y HN 0.260 nan 8.280 nan 0.000 0.498 661 N N -0.200 118.549 118.700 0.082 0.000 2.188 661 N HA -0.134 4.605 4.740 -0.003 0.000 0.184 661 N C 1.919 177.425 175.510 -0.006 0.000 1.018 661 N CA 0.837 53.883 53.050 -0.008 0.000 0.858 661 N CB -0.337 38.191 38.487 0.069 0.000 0.989 661 N HN 0.463 nan 8.380 nan 0.000 0.426 662 A N 0.855 123.687 122.820 0.019 0.000 2.015 662 A HA -0.048 4.271 4.320 -0.003 0.000 0.219 662 A C 1.567 179.158 177.584 0.011 0.000 1.163 662 A CA 1.097 53.146 52.037 0.021 0.000 0.646 662 A CB -0.084 18.930 19.000 0.023 0.000 0.806 662 A HN 0.274 nan 8.150 nan 0.000 0.448 663 N N -1.313 117.377 118.700 -0.016 0.000 2.235 663 N HA 0.057 4.796 4.740 -0.003 0.000 0.209 663 N C -0.356 175.114 175.510 -0.067 0.000 1.122 663 N CA -0.205 52.821 53.050 -0.039 0.000 0.845 663 N CB 0.106 38.572 38.487 -0.034 0.000 1.004 663 N HN 0.584 nan 8.380 nan 0.000 0.499 664 Y N 2.666 122.861 120.300 -0.174 0.000 2.811 664 Y HA -0.089 4.460 4.550 -0.003 0.000 0.334 664 Y C -0.124 175.717 175.900 -0.098 0.000 1.247 664 Y CA 0.593 58.594 58.100 -0.165 0.000 1.526 664 Y CB 0.350 38.719 38.460 -0.152 0.000 1.284 664 Y HN 0.013 nan 8.280 nan 0.000 0.586 665 Q N 4.162 123.421 119.800 -0.902 0.000 2.292 665 Q HA 0.221 4.560 4.340 -0.003 0.000 0.270 665 Q C 0.494 175.954 176.000 -0.901 0.000 1.024 665 Q CA -0.151 55.228 55.803 -0.707 0.000 0.768 665 Q CB 1.911 30.437 28.738 -0.353 0.000 1.250 665 Q HN 0.894 nan 8.270 nan 0.000 0.447 666 S N 1.253 116.553 115.700 -0.667 0.000 2.387 666 S HA -0.000 4.468 4.470 -0.003 0.000 0.226 666 S C 0.595 175.098 174.600 -0.161 0.000 1.026 666 S CA 0.491 58.495 58.200 -0.326 0.000 0.972 666 S CB 0.193 63.374 63.200 -0.031 0.000 0.814 666 S HN 0.481 nan 8.310 nan 0.000 0.477 667 E N 1.114 121.226 120.200 -0.148 0.000 2.331 667 E HA 0.240 4.589 4.350 -0.003 0.000 0.272 667 E C -1.424 175.122 176.600 -0.090 0.000 1.036 667 E CA -0.343 56.001 56.400 -0.094 0.000 0.864 667 E CB 0.849 30.487 29.700 -0.104 0.000 1.035 667 E HN 0.542 nan 8.360 nan 0.000 0.408 668 Y N 3.132 123.338 120.300 -0.157 0.000 2.341 668 Y HA 0.285 4.833 4.550 -0.002 0.000 0.340 668 Y C -0.397 175.383 175.900 -0.201 0.000 0.997 668 Y CA -0.367 57.626 58.100 -0.179 0.000 1.149 668 Y CB 0.683 39.047 38.460 -0.161 0.000 1.171 668 Y HN 0.304 nan 8.280 nan 0.000 0.494 669 R N 4.562 124.496 120.500 -0.943 0.000 2.628 669 R HA 0.471 4.809 4.340 -0.003 0.000 0.288 669 R C -1.438 174.254 176.300 -1.014 0.000 0.980 669 R CA -1.140 54.498 56.100 -0.770 0.000 0.891 669 R CB 2.090 32.121 30.300 -0.447 0.000 1.188 669 R HN 0.483 nan 8.270 nan 0.000 0.450 670 V N 3.306 122.685 119.914 -0.892 0.000 2.071 670 V HA 0.149 4.267 4.120 -0.003 0.000 0.254 670 V C -0.133 175.567 176.094 -0.657 0.000 1.456 670 V CA 0.272 62.037 62.300 -0.890 0.000 1.383 670 V CB -0.612 30.487 31.823 -1.206 0.000 1.433 670 V HN 0.713 nan 8.190 nan 0.000 0.499 671 E N 0.833 120.692 120.200 -0.569 0.000 2.314 671 E HA 0.415 4.763 4.350 -0.003 0.000 0.272 671 E C 0.089 176.445 176.600 -0.407 0.000 0.884 671 E CA -0.842 55.288 56.400 -0.449 0.000 0.753 671 E CB 1.723 31.248 29.700 -0.291 0.000 1.213 671 E HN 0.374 nan 8.360 nan 0.000 0.432 672 H N 1.555 120.541 119.070 -0.140 0.000 2.387 672 H HA -0.103 4.452 4.556 -0.003 0.000 0.299 672 H C 1.091 176.352 175.328 -0.111 0.000 1.090 672 H CA 1.427 57.404 56.048 -0.118 0.000 1.332 672 H CB 0.419 30.126 29.762 -0.091 0.000 1.386 672 H HN 0.605 nan 8.280 nan 0.000 0.516 673 E N 0.515 120.706 120.200 -0.015 0.000 2.077 673 E HA -0.146 4.203 4.350 -0.003 0.000 0.193 673 E C 1.702 178.249 176.600 -0.088 0.000 0.989 673 E CA 1.228 57.602 56.400 -0.044 0.000 0.800 673 E CB 0.040 29.711 29.700 -0.048 0.000 0.746 673 E HN 0.468 nan 8.360 nan 0.000 0.452 674 D N 0.596 120.908 120.400 -0.147 0.000 2.117 674 D HA -0.118 4.521 4.640 -0.003 0.000 0.198 674 D C 1.868 178.061 176.300 -0.177 0.000 0.982 674 D CA 0.820 54.706 54.000 -0.190 0.000 0.828 674 D CB -0.098 40.530 40.800 -0.287 0.000 0.967 674 D HN 0.137 nan 8.370 nan 0.000 0.464 675 I N 0.788 121.246 120.570 -0.187 0.000 2.226 675 I HA -0.255 3.913 4.170 -0.003 0.000 0.245 675 I C 2.367 178.445 176.117 -0.065 0.000 1.100 675 I CA 0.938 62.155 61.300 -0.138 0.000 1.374 675 I CB -0.215 37.698 38.000 -0.145 0.000 1.057 675 I HN -0.029 nan 8.210 nan 0.000 0.413 676 A N 0.966 123.758 122.820 -0.047 0.000 1.877 676 A HA -0.231 4.088 4.320 -0.003 0.000 0.216 676 A C 2.317 179.887 177.584 -0.023 0.000 1.186 676 A CA 1.711 53.734 52.037 -0.024 0.000 0.620 676 A CB -0.470 18.519 19.000 -0.018 0.000 0.822 676 A HN 0.311 nan 8.150 nan 0.000 0.443 677 K N -0.894 119.480 120.400 -0.042 0.000 2.057 677 K HA -0.161 4.157 4.320 -0.003 0.000 0.207 677 K C 2.368 178.949 176.600 -0.031 0.000 1.049 677 K CA 1.600 57.863 56.287 -0.039 0.000 0.931 677 K CB -0.164 32.298 32.500 -0.063 0.000 0.714 677 K HN 0.477 nan 8.250 nan 0.000 0.440 678 R N 0.678 121.152 120.500 -0.043 0.000 2.092 678 R HA -0.088 4.250 4.340 -0.003 0.000 0.231 678 R C 1.924 178.236 176.300 0.020 0.000 1.119 678 R CA 1.734 57.822 56.100 -0.019 0.000 0.970 678 R CB -0.165 30.122 30.300 -0.022 0.000 0.864 678 R HN 0.083 nan 8.270 nan 0.000 0.440 679 T N 1.659 116.222 114.554 0.015 0.000 2.788 679 T HA -0.155 4.193 4.350 -0.003 0.000 0.268 679 T C 1.602 176.337 174.700 0.059 0.000 1.044 679 T CA 1.265 63.386 62.100 0.034 0.000 1.139 679 T CB -0.210 68.669 68.868 0.019 0.000 0.867 679 T HN 0.158 nan 8.240 nan 0.000 0.454 680 L N 1.345 122.600 121.223 0.053 0.000 2.027 680 L HA 0.093 4.431 4.340 -0.003 0.000 0.206 680 L C 2.517 179.457 176.870 0.117 0.000 1.074 680 L CA 1.739 56.627 54.840 0.081 0.000 0.745 680 L CB -0.612 41.482 42.059 0.057 0.000 0.898 680 L HN 0.039 nan 8.230 nan 0.000 0.433 681 R N -0.340 120.214 120.500 0.090 0.000 2.096 681 R HA -0.212 4.126 4.340 -0.003 0.000 0.240 681 R C 2.049 178.500 176.300 0.252 0.000 1.139 681 R CA 2.369 58.547 56.100 0.130 0.000 0.952 681 R CB -0.389 29.904 30.300 -0.010 0.000 0.854 681 R HN 0.595 nan 8.270 nan 0.000 0.436 682 N N -0.549 118.255 118.700 0.173 0.000 2.331 682 N HA -0.059 4.679 4.740 -0.003 0.000 0.180 682 N C 1.596 177.191 175.510 0.142 0.000 1.019 682 N CA 0.633 53.786 53.050 0.172 0.000 0.881 682 N CB 0.011 38.568 38.487 0.116 0.000 0.972 682 N HN 0.281 nan 8.380 nan 0.000 0.435 683 A N 0.527 123.431 122.820 0.139 0.000 1.902 683 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 683 A C 2.346 180.073 177.584 0.238 0.000 1.181 683 A CA 0.996 53.116 52.037 0.140 0.000 0.623 683 A CB -0.924 18.177 19.000 0.168 0.000 0.818 683 A HN 0.436 nan 8.150 nan 0.000 0.443 684 C N -1.355 118.117 119.300 0.285 0.000 2.429 684 C HA -0.058 4.401 4.460 -0.003 0.000 0.277 684 C C 2.523 177.655 174.990 0.236 0.000 1.262 684 C CA 1.063 60.276 59.018 0.325 0.000 1.733 684 C CB -1.438 26.484 27.740 0.302 0.000 2.010 684 C HN 0.677 nan 8.230 nan 0.000 0.483 685 L N 1.487 122.820 121.223 0.183 0.000 2.042 685 L HA -0.132 4.206 4.340 -0.003 0.000 0.210 685 L C 2.645 179.533 176.870 0.029 0.000 1.076 685 L CA 1.886 56.730 54.840 0.007 0.000 0.749 685 L CB -0.725 41.383 42.059 0.081 0.000 0.893 685 L HN 0.185 nan 8.230 nan 0.000 0.432 686 R N -0.961 119.567 120.500 0.047 0.000 2.083 686 R HA -0.191 4.147 4.340 -0.003 0.000 0.237 686 R C 2.052 178.391 176.300 0.066 0.000 1.137 686 R CA 2.070 58.169 56.100 -0.001 0.000 0.951 686 R CB -0.849 29.368 30.300 -0.139 0.000 0.851 686 R HN 0.393 nan 8.270 nan 0.000 0.434 687 F N 0.131 120.152 119.950 0.118 0.000 2.113 687 F HA -0.055 4.470 4.527 -0.003 0.000 0.297 687 F C 2.070 177.935 175.800 0.108 0.000 1.103 687 F CA 1.167 59.235 58.000 0.113 0.000 1.248 687 F CB -0.535 38.488 39.000 0.038 0.000 0.999 687 F HN -0.038 nan 8.300 nan 0.000 0.475 688 L N -0.351 121.002 121.223 0.216 0.000 2.079 688 L HA -0.255 4.084 4.340 -0.003 0.000 0.210 688 L C 2.639 179.514 176.870 0.009 0.000 1.081 688 L CA 1.136 56.012 54.840 0.060 0.000 0.752 688 L CB -1.050 40.961 42.059 -0.080 0.000 0.896 688 L HN 0.156 nan 8.230 nan 0.000 0.433 689 A N -0.639 122.171 122.820 -0.018 0.000 2.019 689 A HA -0.162 4.157 4.320 -0.003 0.000 0.219 689 A C 1.737 179.167 177.584 -0.256 0.000 1.164 689 A CA 1.399 53.339 52.037 -0.163 0.000 0.644 689 A CB -0.599 18.257 19.000 -0.239 0.000 0.805 689 A HN 0.402 nan 8.150 nan 0.000 0.449 690 F N -0.556 119.385 119.950 -0.015 0.000 2.660 690 F HA 0.309 4.835 4.527 -0.002 0.000 0.302 690 F C 1.658 177.467 175.800 0.015 0.000 1.103 690 F CA -0.104 57.895 58.000 -0.002 0.000 1.340 690 F CB 0.062 39.065 39.000 0.006 0.000 1.048 690 F HN 0.243 nan 8.300 nan 0.000 0.551 691 G N -0.839 108.036 108.800 0.125 0.000 2.630 691 G HA2 0.071 4.030 3.960 -0.003 0.000 0.223 691 G HA3 0.071 4.030 3.960 -0.003 0.000 0.223 691 G C -0.411 174.511 174.900 0.037 0.000 1.434 691 G CA -0.421 44.727 45.100 0.080 0.000 1.057 691 G HN -0.009 nan 8.290 nan 0.000 0.570 692 E N -0.217 119.999 120.200 0.027 0.000 2.558 692 E HA -0.017 4.331 4.350 -0.003 0.000 0.255 692 E C 1.459 178.067 176.600 0.013 0.000 0.968 692 E CA 0.193 56.607 56.400 0.024 0.000 0.939 692 E CB 0.565 30.283 29.700 0.030 0.000 0.921 692 E HN 0.313 nan 8.360 nan 0.000 0.477 693 T N 4.583 119.148 114.554 0.018 0.000 2.684 693 T HA -0.200 4.148 4.350 -0.003 0.000 0.267 693 T C 1.523 176.235 174.700 0.019 0.000 1.036 693 T CA 1.443 63.544 62.100 0.003 0.000 1.148 693 T CB -0.324 68.550 68.868 0.010 0.000 0.863 693 T HN 0.571 nan 8.240 nan 0.000 0.436 694 H N 0.669 119.722 119.070 -0.028 0.000 2.321 694 H HA 0.037 4.592 4.556 -0.003 0.000 0.300 694 H C 2.432 177.745 175.328 -0.025 0.000 1.087 694 H CA 1.157 57.191 56.048 -0.024 0.000 1.319 694 H CB -0.374 29.378 29.762 -0.015 0.000 1.379 694 H HN 0.222 nan 8.280 nan 0.000 0.501 695 L N 0.537 121.724 121.223 -0.060 0.000 2.012 695 L HA -0.184 4.155 4.340 -0.003 0.000 0.210 695 L C 2.796 179.582 176.870 -0.140 0.000 1.073 695 L CA 1.452 56.226 54.840 -0.110 0.000 0.748 695 L CB -0.798 41.242 42.059 -0.032 0.000 0.891 695 L HN 0.348 nan 8.230 nan 0.000 0.431 696 A N -0.305 122.450 122.820 -0.109 0.000 1.883 696 A HA -0.337 3.981 4.320 -0.003 0.000 0.217 696 A C 1.920 179.417 177.584 -0.145 0.000 1.186 696 A CA 2.278 54.240 52.037 -0.125 0.000 0.624 696 A CB -0.873 18.057 19.000 -0.118 0.000 0.822 696 A HN 0.547 nan 8.150 nan 0.000 0.444 697 D N -0.956 119.355 120.400 -0.149 0.000 2.117 697 D HA -0.102 4.536 4.640 -0.003 0.000 0.197 697 D C 1.830 178.043 176.300 -0.144 0.000 0.987 697 D CA 1.344 55.260 54.000 -0.139 0.000 0.829 697 D CB -0.038 40.694 40.800 -0.113 0.000 0.961 697 D HN 0.138 nan 8.370 nan 0.000 0.460 698 V N 0.223 120.004 119.914 -0.221 0.000 2.295 698 V HA -0.195 3.923 4.120 -0.003 0.000 0.246 698 V C 2.394 178.438 176.094 -0.084 0.000 1.049 698 V CA 0.999 63.193 62.300 -0.176 0.000 1.024 698 V CB -0.414 31.248 31.823 -0.268 0.000 0.648 698 V HN 0.269 nan 8.190 nan 0.000 0.447 699 L N -0.333 120.827 121.223 -0.104 0.000 2.017 699 L HA -0.126 4.213 4.340 -0.003 0.000 0.208 699 L C 2.380 179.227 176.870 -0.039 0.000 1.073 699 L CA 1.769 56.558 54.840 -0.084 0.000 0.745 699 L CB -0.814 41.134 42.059 -0.186 0.000 0.894 699 L HN 0.136 nan 8.230 nan 0.000 0.432 700 V N -1.916 117.959 119.914 -0.065 0.000 2.379 700 V HA -0.231 3.887 4.120 -0.003 0.000 0.245 700 V C 2.675 178.775 176.094 0.011 0.000 1.044 700 V CA 1.671 63.950 62.300 -0.035 0.000 1.036 700 V CB -0.348 31.422 31.823 -0.089 0.000 0.664 700 V HN 0.500 nan 8.190 nan 0.000 0.453 701 S N -0.688 115.010 115.700 -0.004 0.000 2.368 701 S HA -0.268 4.200 4.470 -0.003 0.000 0.225 701 S C 2.136 176.825 174.600 0.149 0.000 1.030 701 S CA 2.138 60.361 58.200 0.038 0.000 0.999 701 S CB -0.249 62.997 63.200 0.076 0.000 0.844 701 S HN 0.576 nan 8.310 nan 0.000 0.459 702 K N 0.521 121.005 120.400 0.140 0.000 2.026 702 K HA -0.168 4.150 4.320 -0.003 0.000 0.208 702 K C 2.461 179.164 176.600 0.172 0.000 1.048 702 K CA 1.711 58.099 56.287 0.168 0.000 0.929 702 K CB -0.339 32.227 32.500 0.110 0.000 0.713 702 K HN 0.505 nan 8.250 nan 0.000 0.439 703 Q N -0.362 119.535 119.800 0.161 0.000 2.084 703 Q HA -0.206 4.132 4.340 -0.003 0.000 0.202 703 Q C 1.958 178.045 176.000 0.145 0.000 0.978 703 Q CA 1.680 57.589 55.803 0.176 0.000 0.844 703 Q CB -0.221 28.645 28.738 0.215 0.000 0.898 703 Q HN 0.371 nan 8.270 nan 0.000 0.426 704 F N 0.486 120.420 119.950 -0.026 0.000 2.095 704 F HA -0.229 4.297 4.527 -0.002 0.000 0.298 704 F C 1.733 177.488 175.800 -0.074 0.000 1.104 704 F CA 2.329 60.275 58.000 -0.090 0.000 1.232 704 F CB -0.214 38.650 39.000 -0.227 0.000 0.987 704 F HN 0.234 nan 8.300 nan 0.000 0.475 705 H N -1.079 118.092 119.070 0.168 0.000 2.470 705 H HA -0.012 4.543 4.556 -0.003 0.000 0.289 705 H C 1.764 177.088 175.328 -0.006 0.000 1.033 705 H CA 1.350 57.432 56.048 0.057 0.000 1.331 705 H CB 0.011 29.854 29.762 0.135 0.000 1.414 705 H HN 0.390 nan 8.280 nan 0.000 0.545 706 E N 0.607 120.886 120.200 0.130 0.000 2.400 706 E HA 0.177 4.526 4.350 -0.003 0.000 0.195 706 E C 0.636 177.266 176.600 0.049 0.000 1.012 706 E CA -0.063 56.391 56.400 0.090 0.000 0.875 706 E CB 0.488 30.255 29.700 0.112 0.000 0.859 706 E HN 0.320 nan 8.360 nan 0.000 0.498 707 A N 2.891 125.716 122.820 0.008 0.000 2.584 707 A HA -0.064 4.254 4.320 -0.003 0.000 0.239 707 A C 0.618 178.168 177.584 -0.057 0.000 1.043 707 A CA 0.171 52.192 52.037 -0.027 0.000 0.756 707 A CB -0.047 18.905 19.000 -0.080 0.000 0.963 707 A HN 0.299 nan 8.150 nan 0.000 0.511 708 N N 1.550 120.214 118.700 -0.060 0.000 2.273 708 N HA 0.059 4.798 4.740 -0.003 0.000 0.231 708 N C -0.472 174.924 175.510 -0.189 0.000 1.134 708 N CA -0.009 52.990 53.050 -0.084 0.000 0.856 708 N CB -0.076 38.388 38.487 -0.038 0.000 1.068 708 N HN 0.740 nan 8.380 nan 0.000 0.510 709 N N -1.395 117.156 118.700 -0.248 0.000 2.859 709 N HA 0.062 4.800 4.740 -0.003 0.000 0.250 709 N C -0.204 175.137 175.510 -0.281 0.000 1.341 709 N CA -0.567 52.217 53.050 -0.443 0.000 0.881 709 N CB 0.901 38.781 38.487 -1.011 0.000 1.516 709 N HN -0.134 nan 8.380 nan 0.000 0.503 710 M N 1.132 120.575 119.600 -0.261 0.000 2.319 710 M HA 0.049 4.528 4.480 -0.003 0.000 0.265 710 M C 1.325 177.579 176.300 -0.075 0.000 1.068 710 M CA 1.770 56.985 55.300 -0.142 0.000 1.118 710 M CB -0.781 31.721 32.600 -0.163 0.000 1.395 710 M HN 0.717 nan 8.290 nan 0.000 0.435 711 T N 0.757 115.257 114.554 -0.091 0.000 2.652 711 T HA -0.146 4.202 4.350 -0.003 0.000 0.267 711 T C 1.380 176.093 174.700 0.022 0.000 1.039 711 T CA 1.865 63.965 62.100 0.001 0.000 1.153 711 T CB -0.442 68.461 68.868 0.059 0.000 0.863 711 T HN 0.407 nan 8.240 nan 0.000 0.428 712 D N 1.017 121.417 120.400 0.001 0.000 2.149 712 D HA 0.082 4.720 4.640 -0.003 0.000 0.201 712 D C 2.352 178.689 176.300 0.060 0.000 0.972 712 D CA 1.030 55.056 54.000 0.042 0.000 0.835 712 D CB -0.433 40.387 40.800 0.033 0.000 0.966 712 D HN 0.390 nan 8.370 nan 0.000 0.476 713 A N 0.783 123.611 122.820 0.012 0.000 1.902 713 A HA -0.126 4.192 4.320 -0.003 0.000 0.217 713 A C 2.150 179.868 177.584 0.223 0.000 1.181 713 A CA 0.922 52.977 52.037 0.029 0.000 0.623 713 A CB -0.667 18.254 19.000 -0.132 0.000 0.818 713 A HN 0.223 nan 8.150 nan 0.000 0.443 714 L N -0.424 120.893 121.223 0.157 0.000 2.109 714 L HA 0.036 4.374 4.340 -0.003 0.000 0.207 714 L C 2.679 179.611 176.870 0.103 0.000 1.086 714 L CA 1.846 56.777 54.840 0.151 0.000 0.760 714 L CB -0.683 41.431 42.059 0.091 0.000 0.910 714 L HN 0.345 nan 8.230 nan 0.000 0.437 715 A N -0.446 122.429 122.820 0.092 0.000 1.908 715 A HA -0.164 4.155 4.320 -0.003 0.000 0.218 715 A C 2.449 180.079 177.584 0.077 0.000 1.181 715 A CA 1.929 54.011 52.037 0.075 0.000 0.627 715 A CB -1.133 17.919 19.000 0.087 0.000 0.818 715 A HN 0.540 nan 8.150 nan 0.000 0.445 716 A N -0.691 122.203 122.820 0.123 0.000 1.873 716 A HA -0.004 4.315 4.320 -0.003 0.000 0.215 716 A C 2.138 179.751 177.584 0.049 0.000 1.186 716 A CA 1.695 53.799 52.037 0.111 0.000 0.616 716 A CB -0.677 18.444 19.000 0.202 0.000 0.823 716 A HN 0.630 nan 8.150 nan 0.000 0.442 717 L N -0.129 121.160 121.223 0.111 0.000 2.042 717 L HA -0.126 4.212 4.340 -0.003 0.000 0.210 717 L C 2.653 179.463 176.870 -0.100 0.000 1.076 717 L CA 2.535 57.345 54.840 -0.050 0.000 0.749 717 L CB -0.736 41.343 42.059 0.035 0.000 0.893 717 L HN 0.364 nan 8.230 nan 0.000 0.432 718 S N -1.104 114.565 115.700 -0.052 0.000 2.368 718 S HA -0.167 4.301 4.470 -0.003 0.000 0.225 718 S C 2.130 176.685 174.600 -0.075 0.000 1.030 718 S CA 1.192 59.351 58.200 -0.069 0.000 0.999 718 S CB -0.400 62.781 63.200 -0.032 0.000 0.844 718 S HN 0.632 nan 8.310 nan 0.000 0.459 719 A N 1.266 124.047 122.820 -0.066 0.000 1.902 719 A HA 0.209 4.527 4.320 -0.003 0.000 0.217 719 A C 2.452 179.919 177.584 -0.194 0.000 1.181 719 A CA 1.798 53.772 52.037 -0.105 0.000 0.623 719 A CB -1.345 17.606 19.000 -0.081 0.000 0.818 719 A HN 0.732 nan 8.150 nan 0.000 0.443 720 A N -0.523 122.193 122.820 -0.174 0.000 1.908 720 A HA -0.022 4.296 4.320 -0.003 0.000 0.218 720 A C 2.235 179.699 177.584 -0.201 0.000 1.181 720 A CA 1.913 53.829 52.037 -0.201 0.000 0.627 720 A CB -0.884 17.993 19.000 -0.204 0.000 0.818 720 A HN 0.392 nan 8.150 nan 0.000 0.445 721 V N -0.309 119.496 119.914 -0.182 0.000 2.307 721 V HA -0.190 3.929 4.120 -0.003 0.000 0.245 721 V C 3.058 179.071 176.094 -0.135 0.000 1.045 721 V CA 1.821 64.021 62.300 -0.167 0.000 1.024 721 V CB -1.280 30.435 31.823 -0.180 0.000 0.651 721 V HN 0.607 nan 8.190 nan 0.000 0.449 722 A N 0.023 122.777 122.820 -0.110 0.000 1.908 722 A HA -0.080 4.238 4.320 -0.003 0.000 0.218 722 A C 2.166 179.690 177.584 -0.100 0.000 1.181 722 A CA 2.145 54.178 52.037 -0.006 0.000 0.627 722 A CB -0.591 18.487 19.000 0.129 0.000 0.818 722 A HN 0.622 nan 8.150 nan 0.000 0.445 723 A N -1.861 120.673 122.820 -0.477 0.000 2.308 723 A HA 0.349 4.668 4.320 -0.003 0.000 0.217 723 A C 0.713 178.092 177.584 -0.341 0.000 1.216 723 A CA 0.566 52.134 52.037 -0.782 0.000 0.864 723 A CB -0.367 17.887 19.000 -1.243 0.000 0.902 723 A HN 0.555 nan 8.150 nan 0.000 0.499 724 Q N -0.424 119.245 119.800 -0.219 0.000 2.452 724 Q HA -0.173 4.165 4.340 -0.003 0.000 0.318 724 Q C -0.688 175.225 176.000 -0.145 0.000 1.386 724 Q CA 0.342 56.058 55.803 -0.145 0.000 0.872 724 Q CB -1.745 26.938 28.738 -0.091 0.000 1.151 724 Q HN 0.675 nan 8.270 nan 0.000 0.417 725 L N -0.345 120.775 121.223 -0.172 0.000 2.436 725 L HA 0.091 4.429 4.340 -0.003 0.000 0.265 725 L C -0.879 175.928 176.870 -0.105 0.000 1.168 725 L CA -1.706 53.046 54.840 -0.146 0.000 0.815 725 L CB 0.130 42.087 42.059 -0.170 0.000 1.109 725 L HN -0.002 nan 8.230 nan 0.000 0.462 726 P HA -0.199 nan 4.420 nan 0.000 0.216 726 P C 1.515 178.781 177.300 -0.055 0.000 1.154 726 P CA 1.397 64.467 63.100 -0.050 0.000 0.865 726 P CB -0.057 31.629 31.700 -0.024 0.000 0.789 727 C N -1.230 118.028 119.300 -0.069 0.000 2.472 727 C HA 0.140 4.599 4.460 -0.003 0.000 0.278 727 C C 2.511 177.433 174.990 -0.114 0.000 1.447 727 C CA -0.404 58.570 59.018 -0.073 0.000 1.773 727 C CB -1.933 25.762 27.740 -0.076 0.000 1.793 727 C HN 0.141 nan 8.230 nan 0.000 0.544 728 R N 1.607 122.031 120.500 -0.127 0.000 2.115 728 R HA -0.205 4.133 4.340 -0.003 0.000 0.239 728 R C 1.746 177.970 176.300 -0.127 0.000 1.133 728 R CA 2.702 58.710 56.100 -0.153 0.000 0.935 728 R CB -0.588 29.625 30.300 -0.145 0.000 0.853 728 R HN 0.482 nan 8.270 nan 0.000 0.433 729 D N -0.071 120.280 120.400 -0.081 0.000 2.117 729 D HA -0.118 4.520 4.640 -0.003 0.000 0.197 729 D C 1.756 178.049 176.300 -0.011 0.000 0.987 729 D CA 1.511 55.486 54.000 -0.041 0.000 0.829 729 D CB -0.342 40.443 40.800 -0.025 0.000 0.961 729 D HN 0.437 nan 8.370 nan 0.000 0.460 730 A N 0.797 123.605 122.820 -0.020 0.000 1.877 730 A HA -0.134 4.184 4.320 -0.003 0.000 0.216 730 A C 2.397 179.975 177.584 -0.010 0.000 1.186 730 A CA 1.019 53.062 52.037 0.010 0.000 0.620 730 A CB -0.816 18.199 19.000 0.025 0.000 0.822 730 A HN 0.210 nan 8.150 nan 0.000 0.443 731 L N -1.136 119.999 121.223 -0.147 0.000 2.046 731 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 731 L C 2.841 179.603 176.870 -0.180 0.000 1.077 731 L CA 1.149 55.745 54.840 -0.408 0.000 0.747 731 L CB -0.662 40.900 42.059 -0.829 0.000 0.896 731 L HN 0.344 nan 8.230 nan 0.000 0.432 732 M N -0.467 119.104 119.600 -0.050 0.000 2.117 732 M HA -0.224 4.255 4.480 -0.003 0.000 0.262 732 M C 2.299 178.867 176.300 0.445 0.000 1.065 732 M CA 1.683 57.114 55.300 0.218 0.000 1.114 732 M CB -0.965 31.664 32.600 0.047 0.000 1.361 732 M HN 0.231 nan 8.290 nan 0.000 0.408 733 Q N 0.826 120.776 119.800 0.250 0.000 2.079 733 Q HA -0.128 4.210 4.340 -0.003 0.000 0.200 733 Q C 1.721 177.839 176.000 0.196 0.000 0.974 733 Q CA 1.770 57.705 55.803 0.220 0.000 0.840 733 Q CB -0.138 28.681 28.738 0.135 0.000 0.898 733 Q HN 0.544 nan 8.270 nan 0.000 0.430 734 E N -1.220 119.104 120.200 0.207 0.000 2.085 734 E HA -0.225 4.123 4.350 -0.003 0.000 0.194 734 E C 1.713 178.490 176.600 0.294 0.000 0.994 734 E CA 1.289 57.833 56.400 0.239 0.000 0.801 734 E CB -0.280 29.620 29.700 0.333 0.000 0.743 734 E HN 0.488 nan 8.360 nan 0.000 0.453 735 Y N 1.559 122.028 120.300 0.281 0.000 2.163 735 Y HA -0.258 4.290 4.550 -0.003 0.000 0.288 735 Y C 2.228 178.170 175.900 0.070 0.000 1.136 735 Y CA 1.733 60.037 58.100 0.340 0.000 1.147 735 Y CB 0.034 38.770 38.460 0.461 0.000 0.987 735 Y HN 0.003 nan 8.280 nan 0.000 0.509 736 D N 0.287 120.740 120.400 0.088 0.000 2.106 736 D HA -0.222 4.416 4.640 -0.003 0.000 0.191 736 D C 1.617 177.913 176.300 -0.008 0.000 0.997 736 D CA 1.986 55.840 54.000 -0.244 0.000 0.834 736 D CB -0.377 40.242 40.800 -0.301 0.000 0.956 736 D HN 0.393 nan 8.370 nan 0.000 0.448 737 D N -0.156 120.261 120.400 0.029 0.000 2.144 737 D HA -0.149 4.489 4.640 -0.003 0.000 0.199 737 D C 1.959 178.275 176.300 0.026 0.000 0.984 737 D CA 0.824 54.849 54.000 0.042 0.000 0.834 737 D CB -0.187 40.621 40.800 0.013 0.000 0.955 737 D HN 0.359 nan 8.370 nan 0.000 0.465 738 K N -0.944 119.367 120.400 -0.149 0.000 2.116 738 K HA -0.088 4.230 4.320 -0.003 0.000 0.203 738 K C 1.268 177.476 176.600 -0.654 0.000 1.052 738 K CA 0.798 56.781 56.287 -0.506 0.000 0.952 738 K CB 0.055 32.083 32.500 -0.787 0.000 0.729 738 K HN 0.163 nan 8.250 nan 0.000 0.446 739 W N -0.049 121.115 121.300 -0.227 0.000 2.870 739 W HA 0.126 4.784 4.660 -0.003 0.000 0.358 739 W C 1.310 177.682 176.519 -0.246 0.000 1.043 739 W CA -0.164 56.998 57.345 -0.305 0.000 1.692 739 W CB 0.294 29.456 29.460 -0.496 0.000 1.100 739 W HN 0.312 nan 8.180 nan 0.000 0.557 740 H N 0.234 119.306 119.070 0.003 0.000 2.460 740 H HA -0.240 4.314 4.556 -0.002 0.000 0.297 740 H C 1.999 177.362 175.328 0.058 0.000 1.103 740 H CA 1.862 57.914 56.048 0.006 0.000 1.292 740 H CB -0.387 29.363 29.762 -0.021 0.000 1.376 740 H HN 0.135 nan 8.280 nan 0.000 0.531 741 Q N 0.597 120.157 119.800 -0.400 0.000 2.451 741 Q HA -0.039 4.299 4.340 -0.003 0.000 0.206 741 Q C -0.111 175.870 176.000 -0.032 0.000 0.947 741 Q CA 0.481 56.161 55.803 -0.205 0.000 0.937 741 Q CB -0.047 28.508 28.738 -0.305 0.000 1.025 741 Q HN 0.477 nan 8.270 nan 0.000 0.511 742 N N 0.938 119.652 118.700 0.023 0.000 2.621 742 N HA 0.212 4.950 4.740 -0.003 0.000 0.237 742 N C 0.595 176.132 175.510 0.044 0.000 0.997 742 N CA 0.293 53.374 53.050 0.051 0.000 0.918 742 N CB 1.146 39.700 38.487 0.113 0.000 1.122 742 N HN 0.197 nan 8.380 nan 0.000 0.510 743 G N 3.056 111.883 108.800 0.046 0.000 2.476 743 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.218 743 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.218 743 G C 1.459 176.389 174.900 0.050 0.000 1.164 743 G CA 0.630 45.773 45.100 0.072 0.000 0.768 743 G HN 0.580 nan 8.290 nan 0.000 0.560 744 L N 0.122 121.335 121.223 -0.017 0.000 2.083 744 L HA -0.081 4.258 4.340 -0.003 0.000 0.209 744 L C 2.976 179.811 176.870 -0.058 0.000 1.083 744 L CA 0.440 55.251 54.840 -0.049 0.000 0.752 744 L CB -0.427 41.576 42.059 -0.093 0.000 0.899 744 L HN 0.110 nan 8.230 nan 0.000 0.433 745 V N -0.785 119.062 119.914 -0.112 0.000 2.453 745 V HA -0.242 3.876 4.120 -0.003 0.000 0.247 745 V C 2.504 178.619 176.094 0.036 0.000 1.048 745 V CA 1.281 63.463 62.300 -0.196 0.000 1.049 745 V CB -0.352 31.120 31.823 -0.585 0.000 0.672 745 V HN 0.369 nan 8.190 nan 0.000 0.457 746 M N -0.446 119.193 119.600 0.065 0.000 2.296 746 M HA -0.113 4.366 4.480 -0.003 0.000 0.265 746 M C 1.862 178.234 176.300 0.120 0.000 1.064 746 M CA 1.197 56.529 55.300 0.053 0.000 1.109 746 M CB -1.290 31.281 32.600 -0.050 0.000 1.396 746 M HN 0.344 nan 8.290 nan 0.000 0.430 747 D N 0.915 121.451 120.400 0.227 0.000 2.158 747 D HA -0.164 4.474 4.640 -0.003 0.000 0.197 747 D C 1.931 178.355 176.300 0.206 0.000 0.995 747 D CA 1.211 55.390 54.000 0.298 0.000 0.846 747 D CB -0.109 40.785 40.800 0.156 0.000 0.941 747 D HN 0.416 nan 8.370 nan 0.000 0.456 748 K N -0.607 119.866 120.400 0.121 0.000 2.097 748 K HA -0.155 4.163 4.320 -0.003 0.000 0.206 748 K C 2.083 178.691 176.600 0.012 0.000 1.049 748 K CA 0.857 57.179 56.287 0.058 0.000 0.933 748 K CB -0.179 32.351 32.500 0.050 0.000 0.717 748 K HN 0.236 nan 8.250 nan 0.000 0.442 749 W N 0.750 121.894 121.300 -0.260 0.000 2.409 749 W HA -0.087 4.571 4.660 -0.003 0.000 0.299 749 W C 1.475 177.831 176.519 -0.272 0.000 1.203 749 W CA 1.004 58.093 57.345 -0.427 0.000 1.298 749 W CB -0.088 29.060 29.460 -0.519 0.000 1.127 749 W HN -0.121 nan 8.180 nan 0.000 0.528 750 F N 0.569 120.644 119.950 0.209 0.000 2.134 750 F HA -0.191 4.334 4.527 -0.003 0.000 0.299 750 F C 2.210 177.974 175.800 -0.060 0.000 1.097 750 F CA 1.520 59.550 58.000 0.049 0.000 1.264 750 F CB -1.284 37.810 39.000 0.158 0.000 1.001 750 F HN -0.162 nan 8.300 nan 0.000 0.479 751 I N -0.440 120.224 120.570 0.156 0.000 2.163 751 I HA -0.323 3.845 4.170 -0.003 0.000 0.243 751 I C 2.346 178.439 176.117 -0.039 0.000 1.085 751 I CA 1.235 62.568 61.300 0.056 0.000 1.347 751 I CB -0.538 37.489 38.000 0.045 0.000 1.044 751 I HN 0.099 nan 8.210 nan 0.000 0.408 752 L N -0.152 120.994 121.223 -0.128 0.000 2.046 752 L HA -0.233 4.105 4.340 -0.003 0.000 0.208 752 L C 2.774 179.495 176.870 -0.249 0.000 1.077 752 L CA 1.206 55.923 54.840 -0.205 0.000 0.747 752 L CB -0.705 41.174 42.059 -0.300 0.000 0.896 752 L HN 0.339 nan 8.230 nan 0.000 0.432 753 Q N -0.080 119.510 119.800 -0.351 0.000 2.050 753 Q HA -0.193 4.145 4.340 -0.003 0.000 0.202 753 Q C 2.427 178.340 176.000 -0.145 0.000 0.980 753 Q CA 1.870 57.469 55.803 -0.341 0.000 0.840 753 Q CB -0.385 28.079 28.738 -0.457 0.000 0.898 753 Q HN 0.549 nan 8.270 nan 0.000 0.424 754 A N 0.963 123.753 122.820 -0.050 0.000 1.969 754 A HA -0.107 4.211 4.320 -0.003 0.000 0.218 754 A C 2.026 179.667 177.584 0.095 0.000 1.169 754 A CA 1.883 53.966 52.037 0.076 0.000 0.635 754 A CB -0.469 18.605 19.000 0.124 0.000 0.810 754 A HN 0.493 nan 8.150 nan 0.000 0.445 755 T N -2.922 111.636 114.554 0.006 0.000 3.145 755 T HA 0.299 4.647 4.350 -0.003 0.000 0.255 755 T C 0.621 175.303 174.700 -0.030 0.000 1.039 755 T CA 0.449 62.541 62.100 -0.014 0.000 0.928 755 T CB -0.363 68.490 68.868 -0.025 0.000 1.029 755 T HN 0.231 nan 8.240 nan 0.000 0.554 756 S N 3.240 118.915 115.700 -0.042 0.000 2.549 756 S HA 0.212 4.680 4.470 -0.003 0.000 0.283 756 S C -1.118 173.466 174.600 -0.028 0.000 1.320 756 S CA -1.196 56.968 58.200 -0.060 0.000 1.058 756 S CB 0.879 64.020 63.200 -0.098 0.000 0.882 756 S HN 0.232 nan 8.310 nan 0.000 0.498 757 P HA 0.157 nan 4.420 nan 0.000 0.245 757 P C 0.146 177.438 177.300 -0.012 0.000 1.212 757 P CA 0.095 63.192 63.100 -0.005 0.000 0.774 757 P CB -0.302 31.410 31.700 0.020 0.000 0.999 758 A N 0.636 123.437 122.820 -0.030 0.000 2.531 758 A HA 0.342 4.661 4.320 -0.003 0.000 0.236 758 A C 1.853 179.421 177.584 -0.026 0.000 1.062 758 A CA 0.432 52.447 52.037 -0.036 0.000 0.760 758 A CB -0.002 18.963 19.000 -0.058 0.000 0.995 758 A HN 0.188 nan 8.150 nan 0.000 0.501 759 A N 2.239 125.045 122.820 -0.024 0.000 1.978 759 A HA -0.176 4.143 4.320 -0.003 0.000 0.220 759 A C 1.531 179.097 177.584 -0.031 0.000 1.170 759 A CA 1.837 53.861 52.037 -0.021 0.000 0.636 759 A CB -0.586 18.402 19.000 -0.020 0.000 0.810 759 A HN 1.066 nan 8.150 nan 0.000 0.448 760 N N 0.253 118.927 118.700 -0.043 0.000 2.322 760 N HA 0.034 4.772 4.740 -0.003 0.000 0.216 760 N C 0.903 176.364 175.510 -0.081 0.000 1.144 760 N CA 0.598 53.612 53.050 -0.060 0.000 0.830 760 N CB -0.253 38.197 38.487 -0.060 0.000 1.034 760 N HN 0.184 nan 8.380 nan 0.000 0.484 761 V N 0.313 120.192 119.914 -0.058 0.000 2.332 761 V HA -0.204 3.915 4.120 -0.003 0.000 0.248 761 V C 2.049 178.050 176.094 -0.155 0.000 1.055 761 V CA 1.376 63.638 62.300 -0.062 0.000 1.038 761 V CB -0.415 31.424 31.823 0.026 0.000 0.651 761 V HN 0.357 nan 8.190 nan 0.000 0.450 762 L N 0.693 121.814 121.223 -0.170 0.000 2.046 762 L HA -0.148 4.190 4.340 -0.003 0.000 0.208 762 L C 2.455 179.059 176.870 -0.444 0.000 1.077 762 L CA 2.714 57.285 54.840 -0.449 0.000 0.747 762 L CB -1.069 40.786 42.059 -0.340 0.000 0.896 762 L HN 0.615 nan 8.230 nan 0.000 0.432 763 E N -1.238 118.807 120.200 -0.259 0.000 2.070 763 E HA -0.259 4.089 4.350 -0.003 0.000 0.197 763 E C 1.846 178.325 176.600 -0.203 0.000 1.004 763 E CA 2.116 58.394 56.400 -0.202 0.000 0.805 763 E CB -0.144 29.481 29.700 -0.125 0.000 0.744 763 E HN 0.579 nan 8.360 nan 0.000 0.451 764 T N 0.351 114.791 114.554 -0.190 0.000 2.708 764 T HA -0.131 4.218 4.350 -0.003 0.000 0.266 764 T C 1.943 176.518 174.700 -0.208 0.000 1.037 764 T CA 1.373 63.376 62.100 -0.161 0.000 1.146 764 T CB -0.271 68.508 68.868 -0.148 0.000 0.865 764 T HN 0.038 nan 8.240 nan 0.000 0.435 765 V N 1.565 121.281 119.914 -0.329 0.000 2.287 765 V HA -0.227 3.892 4.120 -0.003 0.000 0.248 765 V C 2.667 178.503 176.094 -0.430 0.000 1.053 765 V CA 1.737 63.781 62.300 -0.426 0.000 1.027 765 V CB -0.588 30.814 31.823 -0.701 0.000 0.646 765 V HN 0.391 nan 8.190 nan 0.000 0.447 766 R N -0.004 120.190 120.500 -0.510 0.000 2.083 766 R HA -0.155 4.183 4.340 -0.003 0.000 0.237 766 R C 2.476 178.692 176.300 -0.140 0.000 1.137 766 R CA 1.623 57.543 56.100 -0.299 0.000 0.951 766 R CB -0.948 29.193 30.300 -0.265 0.000 0.851 766 R HN 0.613 nan 8.270 nan 0.000 0.434 767 G N 1.002 109.729 108.800 -0.121 0.000 2.422 767 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.218 767 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.218 767 G C 1.381 176.291 174.900 0.017 0.000 1.146 767 G CA 0.434 45.514 45.100 -0.034 0.000 0.769 767 G HN 0.173 nan 8.290 nan 0.000 0.547 768 L N 0.236 121.451 121.223 -0.013 0.000 2.456 768 L HA 0.103 4.442 4.340 -0.003 0.000 0.224 768 L C 2.514 179.316 176.870 -0.113 0.000 1.148 768 L CA -0.043 54.842 54.840 0.075 0.000 0.825 768 L CB -0.228 41.888 42.059 0.095 0.000 0.937 768 L HN 0.196 nan 8.230 nan 0.000 0.450 769 L N -0.519 120.558 121.223 -0.243 0.000 2.349 769 L HA -0.193 4.145 4.340 -0.003 0.000 0.220 769 L C 2.023 178.961 176.870 0.113 0.000 1.130 769 L CA 0.758 55.438 54.840 -0.266 0.000 0.791 769 L CB -0.335 41.664 42.059 -0.100 0.000 0.918 769 L HN 0.399 nan 8.230 nan 0.000 0.444 770 Q N -1.821 118.057 119.800 0.130 0.000 2.282 770 Q HA 0.100 4.438 4.340 -0.003 0.000 0.206 770 Q C 0.472 176.610 176.000 0.229 0.000 0.878 770 Q CA 0.091 55.997 55.803 0.172 0.000 0.944 770 Q CB -0.118 28.683 28.738 0.104 0.000 1.100 770 Q HN 0.421 nan 8.270 nan 0.000 0.509 771 H N 2.265 121.475 119.070 0.233 0.000 2.815 771 H HA 0.005 4.559 4.556 -0.003 0.000 0.350 771 H C 1.321 176.827 175.328 0.296 0.000 1.080 771 H CA 0.566 56.792 56.048 0.298 0.000 1.433 771 H CB 0.849 30.908 29.762 0.494 0.000 1.432 771 H HN 0.173 nan 8.280 nan 0.000 0.592 772 R N 1.875 122.305 120.500 -0.117 0.000 2.170 772 R HA -0.102 4.237 4.340 -0.003 0.000 0.242 772 R C 1.147 177.627 176.300 0.300 0.000 1.145 772 R CA 1.881 58.004 56.100 0.039 0.000 0.984 772 R CB -0.151 30.069 30.300 -0.133 0.000 0.869 772 R HN 0.257 nan 8.270 nan 0.000 0.455 773 S N -0.380 115.721 115.700 0.669 0.000 2.556 773 S HA 0.141 4.609 4.470 -0.003 0.000 0.216 773 S C -0.240 174.749 174.600 0.649 0.000 0.970 773 S CA -0.473 58.096 58.200 0.615 0.000 0.912 773 S CB 0.023 63.555 63.200 0.553 0.000 0.790 773 S HN 0.271 nan 8.310 nan 0.000 0.504 774 F N 2.359 122.589 119.950 0.467 0.000 2.399 774 F HA 0.611 5.136 4.527 -0.002 0.000 0.334 774 F C 0.057 175.911 175.800 0.089 0.000 1.097 774 F CA -0.105 57.962 58.000 0.111 0.000 1.076 774 F CB 1.566 40.517 39.000 -0.081 0.000 1.162 774 F HN -0.148 nan 8.300 nan 0.000 0.495 775 T N 6.781 120.761 114.554 -0.957 0.000 3.041 775 T HA 0.233 4.581 4.350 -0.003 0.000 0.321 775 T C 0.545 174.729 174.700 -0.860 0.000 1.184 775 T CA -0.769 60.953 62.100 -0.629 0.000 1.050 775 T CB 1.043 69.806 68.868 -0.175 0.000 1.159 775 T HN 0.648 nan 8.240 nan 0.000 0.469 776 M N 2.843 122.190 119.600 -0.422 0.000 2.549 776 M HA 0.019 4.497 4.480 -0.003 0.000 0.260 776 M C 2.186 178.417 176.300 -0.114 0.000 1.076 776 M CA 1.003 56.185 55.300 -0.196 0.000 1.090 776 M CB -1.175 31.431 32.600 0.009 0.000 1.418 776 M HN 0.794 nan 8.290 nan 0.000 0.486 777 S N -0.672 114.988 115.700 -0.068 0.000 2.562 777 S HA 0.021 4.490 4.470 -0.003 0.000 0.221 777 S C 0.714 175.443 174.600 0.214 0.000 0.975 777 S CA -0.184 58.057 58.200 0.069 0.000 0.918 777 S CB -0.149 63.117 63.200 0.110 0.000 0.772 777 S HN 0.463 nan 8.310 nan 0.000 0.531 778 N N 1.541 120.251 118.700 0.017 0.000 2.483 778 N HA 0.352 5.090 4.740 -0.003 0.000 0.267 778 N C -2.629 172.794 175.510 -0.146 0.000 0.998 778 N CA -1.938 51.053 53.050 -0.099 0.000 0.918 778 N CB 2.110 40.390 38.487 -0.344 0.000 1.215 778 N HN -0.130 nan 8.380 nan 0.000 0.500 779 P HA -0.096 nan 4.420 nan 0.000 0.216 779 P C 0.811 178.065 177.300 -0.078 0.000 1.150 779 P CA 1.192 64.248 63.100 -0.073 0.000 0.843 779 P CB 0.458 32.124 31.700 -0.056 0.000 0.787 780 N N -1.040 117.597 118.700 -0.105 0.000 2.120 780 N HA -0.116 4.622 4.740 -0.003 0.000 0.188 780 N C 1.707 177.193 175.510 -0.041 0.000 1.024 780 N CA 1.082 54.087 53.050 -0.074 0.000 0.852 780 N CB -0.562 37.866 38.487 -0.098 0.000 1.003 780 N HN 0.070 nan 8.380 nan 0.000 0.424 781 R N 0.903 121.343 120.500 -0.100 0.000 2.081 781 R HA 0.036 4.375 4.340 -0.003 0.000 0.235 781 R C 2.354 178.667 176.300 0.022 0.000 1.131 781 R CA 0.554 56.596 56.100 -0.097 0.000 0.960 781 R CB -1.065 28.999 30.300 -0.394 0.000 0.856 781 R HN 0.351 nan 8.270 nan 0.000 0.436 782 I N 0.743 121.294 120.570 -0.032 0.000 2.163 782 I HA -0.291 3.877 4.170 -0.003 0.000 0.243 782 I C 2.540 178.714 176.117 0.094 0.000 1.085 782 I CA 1.513 62.876 61.300 0.105 0.000 1.347 782 I CB -0.258 37.750 38.000 0.014 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 4.217 4.340 -0.003 0.000 0.231 783 R C 2.516 178.852 176.300 0.059 0.000 1.119 783 R CA 1.719 57.838 56.100 0.032 0.000 0.970 783 R CB -0.388 29.915 30.300 0.005 0.000 0.864 783 R HN 0.480 nan 8.270 nan 0.000 0.440 784 S N 0.235 115.987 115.700 0.086 0.000 2.428 784 S HA -0.064 4.405 4.470 -0.003 0.000 0.230 784 S C 1.780 176.470 174.600 0.150 0.000 1.014 784 S CA 0.586 58.868 58.200 0.135 0.000 0.957 784 S CB -0.020 63.314 63.200 0.222 0.000 0.784 784 S HN 0.180 nan 8.310 nan 0.000 0.499 785 L N 0.808 122.086 121.223 0.091 0.000 2.276 785 L HA 0.503 4.841 4.340 -0.003 0.000 0.194 785 L C 2.116 179.031 176.870 0.075 0.000 1.099 785 L CA 1.030 55.876 54.840 0.010 0.000 0.800 785 L CB -0.555 41.322 42.059 -0.302 0.000 0.994 785 L HN 0.241 nan 8.230 nan 0.000 0.475 786 I N -0.247 120.382 120.570 0.098 0.000 2.233 786 I HA -0.082 4.087 4.170 -0.003 0.000 0.243 786 I C 2.421 178.635 176.117 0.161 0.000 1.093 786 I CA 1.203 62.609 61.300 0.176 0.000 1.380 786 I CB -1.035 37.024 38.000 0.099 0.000 1.067 786 I HN 0.409 nan 8.210 nan 0.000 0.413 787 G N 0.659 109.508 108.800 0.081 0.000 2.446 787 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.217 787 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.217 787 G C 1.863 176.774 174.900 0.017 0.000 1.168 787 G CA 0.885 45.999 45.100 0.024 0.000 0.771 787 G HN 0.479 nan 8.290 nan 0.000 0.551 788 A N 0.254 123.108 122.820 0.057 0.000 1.933 788 A HA 0.080 4.398 4.320 -0.003 0.000 0.218 788 A C 2.149 179.763 177.584 0.050 0.000 1.175 788 A CA 1.577 53.640 52.037 0.043 0.000 0.628 788 A CB -0.515 18.524 19.000 0.064 0.000 0.814 788 A HN 0.414 nan 8.150 nan 0.000 0.444 789 F N 1.013 120.948 119.950 -0.026 0.000 2.051 789 F HA -0.070 4.455 4.527 -0.003 0.000 0.296 789 F C 2.520 178.281 175.800 -0.066 0.000 1.122 789 F CA 1.531 59.519 58.000 -0.020 0.000 1.201 789 F CB -0.574 38.441 39.000 0.026 0.000 0.978 789 F HN 0.232 nan 8.300 nan 0.000 0.472 790 A N -0.144 122.584 122.820 -0.153 0.000 1.898 790 A HA 0.033 4.352 4.320 -0.003 0.000 0.216 790 A C 2.366 179.539 177.584 -0.685 0.000 1.181 790 A CA 1.639 53.245 52.037 -0.718 0.000 0.620 790 A CB -1.656 16.966 19.000 -0.629 0.000 0.819 790 A HN 0.542 nan 8.150 nan 0.000 0.442 791 G N -2.115 106.487 108.800 -0.329 0.000 2.545 791 G HA2 0.179 4.138 3.960 -0.003 0.000 0.212 791 G HA3 0.179 4.138 3.960 -0.003 0.000 0.212 791 G C 1.316 176.149 174.900 -0.111 0.000 1.144 791 G CA 1.040 46.021 45.100 -0.198 0.000 0.813 791 G HN 0.465 nan 8.290 nan 0.000 0.531 792 S N -0.053 115.583 115.700 -0.106 0.000 2.603 792 S HA 0.178 4.647 4.470 -0.003 0.000 0.232 792 S C 0.582 175.138 174.600 -0.074 0.000 1.016 792 S CA -0.412 57.753 58.200 -0.059 0.000 0.976 792 S CB 0.316 63.498 63.200 -0.031 0.000 0.921 792 S HN 0.251 nan 8.310 nan 0.000 0.516 793 N N 2.228 120.838 118.700 -0.151 0.000 2.735 793 N HA 0.263 5.002 4.740 -0.003 0.000 0.312 793 N C -2.261 173.145 175.510 -0.172 0.000 1.843 793 N CA -2.045 50.903 53.050 -0.171 0.000 0.945 793 N CB 0.842 39.190 38.487 -0.232 0.000 1.299 793 N HN 0.047 nan 8.380 nan 0.000 0.489 794 P HA -0.111 nan 4.420 nan 0.000 0.218 794 P C 1.119 178.515 177.300 0.159 0.000 1.148 794 P CA 0.842 64.043 63.100 0.168 0.000 0.822 794 P CB 0.315 32.187 31.700 0.286 0.000 0.784 795 A N 0.494 123.342 122.820 0.047 0.000 1.908 795 A HA -0.100 4.219 4.320 -0.003 0.000 0.218 795 A C 2.439 180.007 177.584 -0.028 0.000 1.181 795 A CA 2.372 54.419 52.037 0.018 0.000 0.627 795 A CB -1.436 17.556 19.000 -0.013 0.000 0.818 795 A HN 0.263 nan 8.150 nan 0.000 0.445 796 A N -1.701 121.060 122.820 -0.097 0.000 1.903 796 A HA 0.164 4.483 4.320 -0.003 0.000 0.213 796 A C 1.973 179.420 177.584 -0.228 0.000 1.185 796 A CA 1.199 53.167 52.037 -0.115 0.000 0.628 796 A CB -0.631 18.343 19.000 -0.044 0.000 0.830 796 A HN 0.624 nan 8.150 nan 0.000 0.446 797 F N 0.711 120.279 119.950 -0.638 0.000 2.161 797 F HA -0.169 4.356 4.527 -0.003 0.000 0.300 797 F C 1.714 177.154 175.800 -0.601 0.000 1.089 797 F CA 1.682 59.276 58.000 -0.676 0.000 1.282 797 F CB -0.176 38.400 39.000 -0.708 0.000 1.010 797 F HN 0.364 nan 8.300 nan 0.000 0.485 798 H N 0.471 119.308 119.070 -0.387 0.000 2.568 798 H HA 0.439 4.994 4.556 -0.003 0.000 0.302 798 H C 0.726 175.856 175.328 -0.330 0.000 1.065 798 H CA 0.224 56.014 56.048 -0.430 0.000 1.140 798 H CB -0.901 28.759 29.762 -0.171 0.000 1.474 798 H HN 0.189 nan 8.280 nan 0.000 0.545 799 A N 1.024 123.678 122.820 -0.277 0.000 2.587 799 A HA -0.079 4.239 4.320 -0.003 0.000 0.235 799 A C 1.439 178.919 177.584 -0.174 0.000 1.044 799 A CA 0.052 51.985 52.037 -0.173 0.000 0.754 799 A CB 0.379 19.287 19.000 -0.154 0.000 0.968 799 A HN 0.491 nan 8.150 nan 0.000 0.509 800 E N 0.931 121.086 120.200 -0.075 0.000 2.204 800 E HA -0.204 4.145 4.350 -0.003 0.000 0.195 800 E C 0.780 177.356 176.600 -0.040 0.000 0.990 800 E CA 1.303 57.682 56.400 -0.034 0.000 0.821 800 E CB -0.022 29.674 29.700 -0.005 0.000 0.750 800 E HN 0.927 nan 8.360 nan 0.000 0.477 801 D N -0.513 119.847 120.400 -0.067 0.000 2.363 801 D HA -0.033 4.606 4.640 -0.003 0.000 0.226 801 D C 1.324 177.581 176.300 -0.071 0.000 1.020 801 D CA 0.864 54.832 54.000 -0.052 0.000 0.892 801 D CB -0.088 40.684 40.800 -0.047 0.000 0.900 801 D HN 0.191 nan 8.370 nan 0.000 0.531 802 G N 0.200 108.900 108.800 -0.166 0.000 2.162 802 G HA2 -0.380 3.578 3.960 -0.003 0.000 0.260 802 G HA3 -0.380 3.578 3.960 -0.003 0.000 0.260 802 G C 1.220 175.963 174.900 -0.262 0.000 0.976 802 G CA 1.053 46.017 45.100 -0.226 0.000 0.655 802 G HN 0.648 nan 8.290 nan 0.000 0.533 803 S N -0.392 115.182 115.700 -0.210 0.000 2.399 803 S HA 0.077 4.546 4.470 -0.003 0.000 0.231 803 S C 2.487 177.041 174.600 -0.077 0.000 1.022 803 S CA 1.661 59.798 58.200 -0.105 0.000 0.983 803 S CB -0.706 62.447 63.200 -0.079 0.000 0.803 803 S HN 1.541 nan 8.310 nan 0.000 0.480 804 G N 0.663 109.318 108.800 -0.243 0.000 2.418 804 G HA2 -0.107 3.852 3.960 -0.003 0.000 0.217 804 G HA3 -0.107 3.852 3.960 -0.003 0.000 0.217 804 G C 1.201 176.096 174.900 -0.007 0.000 1.158 804 G CA 0.904 45.977 45.100 -0.045 0.000 0.771 804 G HN 0.601 nan 8.290 nan 0.000 0.545 805 Y N 0.783 120.954 120.300 -0.215 0.000 2.181 805 Y HA 0.059 4.608 4.550 -0.002 0.000 0.288 805 Y C 2.753 178.686 175.900 0.056 0.000 1.146 805 Y CA 0.226 58.254 58.100 -0.120 0.000 1.164 805 Y CB -0.946 37.393 38.460 -0.202 0.000 0.982 805 Y HN 0.073 nan 8.280 nan 0.000 0.515 806 L N -1.582 119.744 121.223 0.170 0.000 2.083 806 L HA -0.216 4.122 4.340 -0.003 0.000 0.209 806 L C 2.353 179.317 176.870 0.157 0.000 1.083 806 L CA 1.436 56.358 54.840 0.136 0.000 0.752 806 L CB -0.693 41.421 42.059 0.092 0.000 0.899 806 L HN 0.181 nan 8.230 nan 0.000 0.433 807 F N 0.744 120.725 119.950 0.051 0.000 2.102 807 F HA -0.255 4.271 4.527 -0.002 0.000 0.298 807 F C 2.235 178.085 175.800 0.084 0.000 1.105 807 F CA 1.504 59.521 58.000 0.028 0.000 1.239 807 F CB -0.297 38.682 39.000 -0.035 0.000 0.991 807 F HN -0.092 nan 8.300 nan 0.000 0.474 808 L N -0.030 121.252 121.223 0.098 0.000 2.046 808 L HA -0.143 4.195 4.340 -0.003 0.000 0.208 808 L C 2.285 179.127 176.870 -0.047 0.000 1.077 808 L CA 1.527 56.373 54.840 0.010 0.000 0.747 808 L CB -0.946 41.312 42.059 0.332 0.000 0.896 808 L HN 0.080 nan 8.230 nan 0.000 0.432 809 V N -0.241 119.692 119.914 0.031 0.000 2.287 809 V HA -0.340 3.778 4.120 -0.003 0.000 0.248 809 V C 2.588 178.654 176.094 -0.047 0.000 1.053 809 V CA 2.107 64.413 62.300 0.009 0.000 1.027 809 V CB -0.660 31.188 31.823 0.042 0.000 0.646 809 V HN 0.597 nan 8.190 nan 0.000 0.447 810 E N -0.463 119.687 120.200 -0.083 0.000 2.058 810 E HA -0.256 4.092 4.350 -0.003 0.000 0.194 810 E C 2.320 178.828 176.600 -0.153 0.000 0.997 810 E CA 1.635 57.974 56.400 -0.102 0.000 0.801 810 E CB -0.077 29.566 29.700 -0.096 0.000 0.746 810 E HN 0.382 nan 8.360 nan 0.000 0.450 811 M N 0.251 119.678 119.600 -0.289 0.000 2.117 811 M HA -0.138 4.340 4.480 -0.003 0.000 0.262 811 M C 2.420 178.641 176.300 -0.131 0.000 1.065 811 M CA 1.207 56.351 55.300 -0.260 0.000 1.114 811 M CB -0.847 31.502 32.600 -0.420 0.000 1.361 811 M HN 0.218 nan 8.290 nan 0.000 0.408 812 L N -0.782 120.377 121.223 -0.106 0.000 2.217 812 L HA -0.124 4.214 4.340 -0.003 0.000 0.211 812 L C 2.354 179.202 176.870 -0.037 0.000 1.107 812 L CA 0.825 55.632 54.840 -0.056 0.000 0.783 812 L CB -0.894 41.145 42.059 -0.034 0.000 0.919 812 L HN 0.293 nan 8.230 nan 0.000 0.442 813 T N -0.959 113.572 114.554 -0.038 0.000 2.788 813 T HA -0.221 4.127 4.350 -0.003 0.000 0.268 813 T C 1.610 176.299 174.700 -0.019 0.000 1.044 813 T CA 1.635 63.723 62.100 -0.021 0.000 1.139 813 T CB -0.194 68.665 68.868 -0.016 0.000 0.867 813 T HN 0.407 nan 8.240 nan 0.000 0.454 814 D N 1.206 121.589 120.400 -0.028 0.000 2.077 814 D HA -0.051 4.588 4.640 -0.003 0.000 0.196 814 D C 2.124 178.411 176.300 -0.022 0.000 0.986 814 D CA 1.003 54.991 54.000 -0.020 0.000 0.829 814 D CB -0.257 40.532 40.800 -0.018 0.000 0.983 814 D HN 0.320 nan 8.370 nan 0.000 0.453 815 L N 0.546 121.751 121.223 -0.030 0.000 2.201 815 L HA -0.122 4.216 4.340 -0.003 0.000 0.212 815 L C 2.352 179.203 176.870 -0.032 0.000 1.105 815 L CA 0.801 55.621 54.840 -0.033 0.000 0.775 815 L CB -0.607 41.428 42.059 -0.040 0.000 0.913 815 L HN 0.113 nan 8.230 nan 0.000 0.440 816 N N -0.198 118.488 118.700 -0.024 0.000 2.137 816 N HA -0.201 4.537 4.740 -0.003 0.000 0.190 816 N C 1.798 177.299 175.510 -0.014 0.000 1.017 816 N CA 1.914 54.956 53.050 -0.015 0.000 0.859 816 N CB 0.061 38.547 38.487 -0.003 0.000 1.002 816 N HN 0.122 nan 8.380 nan 0.000 0.428 817 S N -0.782 114.910 115.700 -0.014 0.000 2.421 817 S HA 0.082 4.550 4.470 -0.003 0.000 0.224 817 S C 1.776 176.362 174.600 -0.023 0.000 1.035 817 S CA 0.175 58.367 58.200 -0.013 0.000 0.953 817 S CB -0.051 63.145 63.200 -0.007 0.000 0.810 817 S HN 0.363 nan 8.310 nan 0.000 0.497 818 R N 1.258 121.741 120.500 -0.028 0.000 2.055 818 R HA 0.095 4.433 4.340 -0.003 0.000 0.226 818 R C -0.031 176.233 176.300 -0.059 0.000 1.135 818 R CA 1.114 57.192 56.100 -0.037 0.000 0.959 818 R CB 0.165 30.446 30.300 -0.031 0.000 0.854 818 R HN 0.214 nan 8.270 nan 0.000 0.431 819 N N -0.615 118.047 118.700 -0.063 0.000 2.839 819 N HA 0.152 4.891 4.740 -0.003 0.000 0.230 819 N C -2.502 172.959 175.510 -0.082 0.000 1.388 819 N CA -1.350 51.645 53.050 -0.091 0.000 0.747 819 N CB 1.649 40.078 38.487 -0.097 0.000 1.411 819 N HN -0.109 nan 8.380 nan 0.000 0.556 820 P HA -0.126 nan 4.420 nan 0.000 0.218 820 P C 1.177 178.432 177.300 -0.074 0.000 1.148 820 P CA 1.300 64.365 63.100 -0.059 0.000 0.822 820 P CB 0.554 32.227 31.700 -0.046 0.000 0.784 821 Q N -0.785 118.951 119.800 -0.107 0.000 2.084 821 Q HA -0.098 4.240 4.340 -0.003 0.000 0.202 821 Q C 2.076 178.011 176.000 -0.108 0.000 0.978 821 Q CA 1.320 57.050 55.803 -0.122 0.000 0.844 821 Q CB -0.651 27.981 28.738 -0.177 0.000 0.898 821 Q HN 0.123 nan 8.270 nan 0.000 0.426 822 V N 0.848 120.698 119.914 -0.106 0.000 2.427 822 V HA -0.246 3.872 4.120 -0.003 0.000 0.248 822 V C 2.254 178.308 176.094 -0.066 0.000 1.051 822 V CA 1.638 63.887 62.300 -0.085 0.000 1.048 822 V CB -0.940 30.835 31.823 -0.079 0.000 0.666 822 V HN 0.369 nan 8.190 nan 0.000 0.456 823 A N -0.511 122.273 122.820 -0.060 0.000 1.908 823 A HA -0.260 4.058 4.320 -0.003 0.000 0.218 823 A C 2.567 180.123 177.584 -0.046 0.000 1.181 823 A CA 2.358 54.366 52.037 -0.048 0.000 0.627 823 A CB -0.825 18.151 19.000 -0.039 0.000 0.818 823 A HN 0.481 nan 8.150 nan 0.000 0.445 824 S N -1.045 114.625 115.700 -0.051 0.000 2.383 824 S HA -0.148 4.320 4.470 -0.003 0.000 0.227 824 S C 2.161 176.726 174.600 -0.058 0.000 1.026 824 S CA 1.326 59.496 58.200 -0.050 0.000 0.981 824 S CB -0.331 62.837 63.200 -0.055 0.000 0.818 824 S HN 0.590 nan 8.310 nan 0.000 0.472 825 R N -0.227 120.234 120.500 -0.064 0.000 2.081 825 R HA -0.002 4.336 4.340 -0.003 0.000 0.235 825 R C 1.896 178.161 176.300 -0.058 0.000 1.131 825 R CA 1.412 57.475 56.100 -0.061 0.000 0.960 825 R CB -0.314 29.947 30.300 -0.064 0.000 0.856 825 R HN 0.327 nan 8.270 nan 0.000 0.436 826 L N 0.081 121.270 121.223 -0.056 0.000 2.313 826 L HA -0.008 4.330 4.340 -0.003 0.000 0.214 826 L C 1.941 178.771 176.870 -0.067 0.000 1.119 826 L CA 1.131 55.933 54.840 -0.063 0.000 0.809 826 L CB -0.161 41.866 42.059 -0.053 0.000 0.933 826 L HN 0.184 nan 8.230 nan 0.000 0.449 827 I N -0.967 119.576 120.570 -0.045 0.000 2.928 827 I HA -0.189 3.980 4.170 -0.003 0.000 0.266 827 I C 2.245 178.349 176.117 -0.021 0.000 1.234 827 I CA 0.394 61.681 61.300 -0.023 0.000 1.483 827 I CB 0.271 38.264 38.000 -0.012 0.000 1.097 827 I HN 0.250 nan 8.210 nan 0.000 0.455 828 E N 1.675 121.853 120.200 -0.036 0.000 2.086 828 E HA -0.228 4.121 4.350 -0.003 0.000 0.200 828 E C -0.770 175.833 176.600 0.006 0.000 1.012 828 E CA 2.052 58.442 56.400 -0.017 0.000 0.812 828 E CB -1.016 28.670 29.700 -0.023 0.000 0.743 828 E HN 0.358 nan 8.360 nan 0.000 0.453 829 P HA -0.126 nan 4.420 nan 0.000 0.219 829 P C 1.098 178.497 177.300 0.166 0.000 1.146 829 P CA 0.769 63.856 63.100 -0.021 0.000 0.808 829 P CB 0.061 31.511 31.700 -0.417 0.000 0.779 830 L N -0.206 121.104 121.223 0.144 0.000 2.240 830 L HA 0.021 4.359 4.340 -0.003 0.000 0.211 830 L C 1.897 178.820 176.870 0.088 0.000 1.106 830 L CA 1.183 56.121 54.840 0.164 0.000 0.793 830 L CB -1.061 41.083 42.059 0.142 0.000 0.927 830 L HN -0.052 nan 8.230 nan 0.000 0.446 831 I N -3.690 116.926 120.570 0.077 0.000 3.444 831 I HA -0.021 4.147 4.170 -0.003 0.000 0.287 831 I C 1.244 177.422 176.117 0.102 0.000 1.302 831 I CA 0.482 61.820 61.300 0.063 0.000 1.368 831 I CB -0.366 37.655 38.000 0.036 0.000 1.048 831 I HN 0.019 nan 8.210 nan 0.000 0.487 832 R N 2.004 122.603 120.500 0.166 0.000 2.363 832 R HA 0.193 4.532 4.340 -0.003 0.000 0.236 832 R C 2.040 178.530 176.300 0.316 0.000 0.966 832 R CA 0.249 56.493 56.100 0.239 0.000 1.100 832 R CB -0.597 29.905 30.300 0.338 0.000 1.125 832 R HN 0.632 nan 8.270 nan 0.000 0.514 833 L N -1.177 120.171 121.223 0.209 0.000 2.081 833 L HA -0.128 4.211 4.340 -0.003 0.000 0.212 833 L C 1.593 178.593 176.870 0.217 0.000 1.080 833 L CA 1.575 56.531 54.840 0.193 0.000 0.754 833 L CB -0.541 41.541 42.059 0.037 0.000 0.893 833 L HN -0.062 nan 8.230 nan 0.000 0.433 834 K N -0.099 120.385 120.400 0.139 0.000 2.442 834 K HA -0.009 4.310 4.320 -0.003 0.000 0.198 834 K C 1.815 178.448 176.600 0.055 0.000 1.042 834 K CA 0.480 56.818 56.287 0.086 0.000 0.958 834 K CB -0.006 32.530 32.500 0.059 0.000 0.766 834 K HN 0.326 nan 8.250 nan 0.000 0.474 835 R N -0.160 120.369 120.500 0.048 0.000 2.313 835 R HA 0.073 4.412 4.340 -0.003 0.000 0.199 835 R C 0.087 176.125 176.300 -0.438 0.000 0.958 835 R CA 0.519 56.509 56.100 -0.184 0.000 1.047 835 R CB -0.001 30.134 30.300 -0.275 0.000 0.955 835 R HN 0.165 nan 8.270 nan 0.000 0.481 836 Y N 0.253 120.538 120.300 -0.025 0.000 2.602 836 Y HA 0.131 4.679 4.550 -0.003 0.000 0.330 836 Y C 0.570 176.451 175.900 -0.031 0.000 1.114 836 Y CA -1.769 56.295 58.100 -0.059 0.000 1.182 836 Y CB 0.751 39.153 38.460 -0.097 0.000 1.305 836 Y HN 0.043 nan 8.280 nan 0.000 0.502 837 D N -0.125 120.351 120.400 0.128 0.000 2.361 837 D HA 0.258 4.896 4.640 -0.003 0.000 0.239 837 D C 0.943 177.287 176.300 0.073 0.000 1.200 837 D CA 0.167 54.209 54.000 0.070 0.000 0.915 837 D CB 0.870 41.703 40.800 0.055 0.000 1.170 837 D HN 0.635 nan 8.370 nan 0.000 0.444 838 A N 0.866 123.714 122.820 0.048 0.000 1.917 838 A HA -0.294 4.025 4.320 -0.003 0.000 0.219 838 A C 2.032 179.640 177.584 0.040 0.000 1.182 838 A CA 2.105 54.166 52.037 0.039 0.000 0.633 838 A CB -0.924 18.093 19.000 0.029 0.000 0.819 838 A HN 0.742 nan 8.150 nan 0.000 0.448 839 K N -0.602 119.825 120.400 0.045 0.000 2.057 839 K HA -0.152 4.167 4.320 -0.003 0.000 0.207 839 K C 2.311 178.947 176.600 0.061 0.000 1.049 839 K CA 1.376 57.691 56.287 0.047 0.000 0.931 839 K CB -0.200 32.328 32.500 0.047 0.000 0.714 839 K HN 0.448 nan 8.250 nan 0.000 0.440 840 R N 0.413 120.962 120.500 0.082 0.000 2.073 840 R HA -0.121 4.218 4.340 -0.003 0.000 0.234 840 R C 2.572 178.866 176.300 -0.011 0.000 1.134 840 R CA 1.776 57.934 56.100 0.097 0.000 0.952 840 R CB -0.254 30.130 30.300 0.140 0.000 0.850 840 R HN 0.389 nan 8.270 nan 0.000 0.433 841 Q N 0.214 120.027 119.800 0.021 0.000 2.112 841 Q HA -0.206 4.133 4.340 -0.003 0.000 0.206 841 Q C 1.954 177.929 176.000 -0.043 0.000 0.987 841 Q CA 1.310 57.108 55.803 -0.007 0.000 0.858 841 Q CB -0.006 28.752 28.738 0.032 0.000 0.905 841 Q HN 0.263 nan 8.270 nan 0.000 0.420 842 E N 0.804 120.995 120.200 -0.015 0.000 2.077 842 E HA -0.135 4.213 4.350 -0.003 0.000 0.193 842 E C 1.807 178.387 176.600 -0.034 0.000 0.989 842 E CA 1.092 57.483 56.400 -0.014 0.000 0.800 842 E CB -0.032 29.672 29.700 0.007 0.000 0.746 842 E HN 0.329 nan 8.360 nan 0.000 0.452 843 K N -0.020 120.359 120.400 -0.035 0.000 2.057 843 K HA -0.011 4.307 4.320 -0.003 0.000 0.206 843 K C 2.289 178.772 176.600 -0.194 0.000 1.050 843 K CA 1.191 57.460 56.287 -0.030 0.000 0.935 843 K CB -0.150 32.425 32.500 0.126 0.000 0.715 843 K HN 0.109 nan 8.250 nan 0.000 0.439 844 M N 0.100 119.455 119.600 -0.409 0.000 2.175 844 M HA -0.110 4.368 4.480 -0.003 0.000 0.264 844 M C 2.361 178.536 176.300 -0.208 0.000 1.063 844 M CA 1.334 56.326 55.300 -0.513 0.000 1.119 844 M CB -0.182 32.085 32.600 -0.556 0.000 1.377 844 M HN 0.061 nan 8.290 nan 0.000 0.415 845 R N 0.623 121.047 120.500 -0.127 0.000 2.091 845 R HA -0.138 4.200 4.340 -0.003 0.000 0.238 845 R C 2.229 178.504 176.300 -0.042 0.000 1.136 845 R CA 1.735 57.798 56.100 -0.061 0.000 0.959 845 R CB -0.301 29.978 30.300 -0.035 0.000 0.856 845 R HN 0.375 nan 8.270 nan 0.000 0.437 846 A N 0.539 123.335 122.820 -0.039 0.000 1.908 846 A HA -0.151 4.167 4.320 -0.003 0.000 0.218 846 A C 2.329 179.909 177.584 -0.007 0.000 1.181 846 A CA 1.799 53.828 52.037 -0.013 0.000 0.627 846 A CB -0.823 18.177 19.000 0.001 0.000 0.818 846 A HN 0.538 nan 8.150 nan 0.000 0.445 847 A N -0.273 122.534 122.820 -0.022 0.000 1.877 847 A HA -0.051 4.267 4.320 -0.003 0.000 0.216 847 A C 2.177 179.762 177.584 0.001 0.000 1.186 847 A CA 1.541 53.579 52.037 0.002 0.000 0.620 847 A CB -0.655 18.346 19.000 0.001 0.000 0.822 847 A HN 0.472 nan 8.150 nan 0.000 0.443 848 L N -0.524 120.689 121.223 -0.018 0.000 2.046 848 L HA -0.183 4.155 4.340 -0.003 0.000 0.208 848 L C 2.619 179.489 176.870 -0.001 0.000 1.077 848 L CA 1.350 56.184 54.840 -0.009 0.000 0.747 848 L CB -0.529 41.518 42.059 -0.020 0.000 0.896 848 L HN 0.388 nan 8.230 nan 0.000 0.432 849 E N -0.225 119.975 120.200 -0.001 0.000 2.150 849 E HA -0.266 4.082 4.350 -0.003 0.000 0.193 849 E C 2.058 178.668 176.600 0.017 0.000 0.985 849 E CA 0.988 57.394 56.400 0.009 0.000 0.814 849 E CB -0.065 29.639 29.700 0.008 0.000 0.752 849 E HN 0.559 nan 8.360 nan 0.000 0.466 850 Q N 0.705 120.514 119.800 0.016 0.000 2.050 850 Q HA -0.138 4.201 4.340 -0.003 0.000 0.202 850 Q C 2.383 178.397 176.000 0.023 0.000 0.980 850 Q CA 1.035 56.851 55.803 0.021 0.000 0.840 850 Q CB -0.043 28.709 28.738 0.022 0.000 0.898 850 Q HN 0.229 nan 8.270 nan 0.000 0.424 851 L N 0.602 121.838 121.223 0.022 0.000 2.083 851 L HA -0.189 4.149 4.340 -0.003 0.000 0.209 851 L C 2.647 179.538 176.870 0.036 0.000 1.083 851 L CA 1.351 56.206 54.840 0.025 0.000 0.752 851 L CB -0.465 41.606 42.059 0.021 0.000 0.899 851 L HN 0.217 nan 8.230 nan 0.000 0.433 852 K N 0.427 120.848 120.400 0.036 0.000 2.211 852 K HA -0.143 4.175 4.320 -0.003 0.000 0.204 852 K C 1.737 178.377 176.600 0.066 0.000 1.047 852 K CA 1.297 57.618 56.287 0.055 0.000 0.935 852 K CB -0.160 32.364 32.500 0.039 0.000 0.728 852 K HN 0.376 nan 8.250 nan 0.000 0.452 853 G N 0.758 109.587 108.800 0.047 0.000 2.985 853 G HA2 0.098 4.056 3.960 -0.003 0.000 0.209 853 G HA3 0.098 4.056 3.960 -0.003 0.000 0.209 853 G C 0.286 175.209 174.900 0.038 0.000 1.165 853 G CA -0.392 44.734 45.100 0.043 0.000 0.776 853 G HN 0.083 nan 8.290 nan 0.000 0.541 854 L N 1.160 122.407 121.223 0.039 0.000 2.490 854 L HA 0.104 4.442 4.340 -0.003 0.000 0.274 854 L C 0.941 177.829 176.870 0.030 0.000 1.201 854 L CA -0.233 54.625 54.840 0.031 0.000 0.869 854 L CB 0.740 42.816 42.059 0.029 0.000 1.123 854 L HN 0.229 nan 8.230 nan 0.000 0.484 855 E N 3.609 123.823 120.200 0.023 0.000 2.414 855 E HA -0.082 4.266 4.350 -0.003 0.000 0.263 855 E C -0.003 176.607 176.600 0.017 0.000 1.000 855 E CA 0.036 56.447 56.400 0.019 0.000 0.914 855 E CB 0.162 29.871 29.700 0.015 0.000 0.948 855 E HN 0.656 nan 8.360 nan 0.000 0.444 856 N N 1.693 120.402 118.700 0.014 0.000 2.738 856 N HA -0.246 4.493 4.740 -0.003 0.000 0.249 856 N C -0.723 174.797 175.510 0.016 0.000 1.047 856 N CA 0.041 53.097 53.050 0.011 0.000 0.707 856 N CB -0.999 37.493 38.487 0.008 0.000 0.937 856 N HN 0.334 nan 8.380 nan 0.000 0.545 857 L N 1.245 122.484 121.223 0.027 0.000 2.513 857 L HA 0.143 4.481 4.340 -0.003 0.000 0.272 857 L C 0.725 177.621 176.870 0.043 0.000 1.187 857 L CA 0.060 54.929 54.840 0.048 0.000 0.895 857 L CB 0.472 42.583 42.059 0.088 0.000 1.147 857 L HN 0.315 nan 8.230 nan 0.000 0.483 858 S N 2.927 118.653 115.700 0.043 0.000 2.572 858 S HA 0.280 4.748 4.470 -0.003 0.000 0.279 858 S C 1.387 176.032 174.600 0.074 0.000 1.341 858 S CA -0.252 57.971 58.200 0.038 0.000 1.043 858 S CB 1.054 64.267 63.200 0.021 0.000 0.887 858 S HN 0.900 nan 8.310 nan 0.000 0.516 859 G N 1.531 110.364 108.800 0.056 0.000 2.442 859 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.219 859 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.219 859 G C 0.729 175.710 174.900 0.136 0.000 1.141 859 G CA 1.064 46.222 45.100 0.097 0.000 0.763 859 G HN 0.802 nan 8.290 nan 0.000 0.554 860 D N 0.513 120.957 120.400 0.074 0.000 2.092 860 D HA -0.112 4.527 4.640 -0.003 0.000 0.193 860 D C 2.496 178.825 176.300 0.049 0.000 0.994 860 D CA 0.757 54.784 54.000 0.044 0.000 0.828 860 D CB -0.290 40.510 40.800 0.000 0.000 0.963 860 D HN 0.317 nan 8.370 nan 0.000 0.450 861 L N -0.712 120.546 121.223 0.058 0.000 2.109 861 L HA -0.105 4.233 4.340 -0.003 0.000 0.207 861 L C 2.289 179.205 176.870 0.077 0.000 1.086 861 L CA 0.675 55.544 54.840 0.048 0.000 0.760 861 L CB -0.456 41.628 42.059 0.041 0.000 0.910 861 L HN 0.112 nan 8.230 nan 0.000 0.437 862 Y N 1.427 121.734 120.300 0.012 0.000 2.114 862 Y HA -0.366 4.182 4.550 -0.003 0.000 0.282 862 Y C 2.627 178.545 175.900 0.029 0.000 1.165 862 Y CA 2.265 60.379 58.100 0.022 0.000 1.148 862 Y CB -0.160 38.316 38.460 0.027 0.000 0.972 862 Y HN 0.228 nan 8.280 nan 0.000 0.504 863 E N 0.064 120.317 120.200 0.089 0.000 2.051 863 E HA -0.237 4.111 4.350 -0.003 0.000 0.192 863 E C 2.104 178.659 176.600 -0.075 0.000 0.991 863 E CA 1.747 58.154 56.400 0.011 0.000 0.799 863 E CB -0.104 29.669 29.700 0.122 0.000 0.748 863 E HN 0.513 nan 8.360 nan 0.000 0.449 864 K N 0.054 120.423 120.400 -0.053 0.000 2.057 864 K HA -0.081 4.237 4.320 -0.003 0.000 0.206 864 K C 2.269 178.828 176.600 -0.069 0.000 1.050 864 K CA 1.262 57.515 56.287 -0.056 0.000 0.935 864 K CB -0.103 32.370 32.500 -0.045 0.000 0.715 864 K HN 0.234 nan 8.250 nan 0.000 0.439 865 I N 1.450 121.967 120.570 -0.090 0.000 2.179 865 I HA -0.282 3.886 4.170 -0.003 0.000 0.242 865 I C 2.676 178.713 176.117 -0.133 0.000 1.088 865 I CA 1.667 62.914 61.300 -0.089 0.000 1.357 865 I CB -0.705 37.254 38.000 -0.069 0.000 1.051 865 I HN 0.331 nan 8.210 nan 0.000 0.409 866 T N -1.132 113.266 114.554 -0.260 0.000 2.746 866 T HA -0.176 4.172 4.350 -0.003 0.000 0.267 866 T C 1.844 176.470 174.700 -0.123 0.000 1.039 866 T CA 1.033 62.977 62.100 -0.259 0.000 1.142 866 T CB -0.356 68.214 68.868 -0.496 0.000 0.866 866 T HN 0.283 nan 8.240 nan 0.000 0.444 867 K N 1.510 121.854 120.400 -0.092 0.000 2.057 867 K HA 0.123 4.441 4.320 -0.003 0.000 0.207 867 K C 2.821 179.416 176.600 -0.009 0.000 1.049 867 K CA 1.223 57.497 56.287 -0.023 0.000 0.931 867 K CB -0.478 32.025 32.500 0.005 0.000 0.714 867 K HN 0.460 nan 8.250 nan 0.000 0.440 868 A N 1.151 123.960 122.820 -0.019 0.000 1.930 868 A HA -0.087 4.231 4.320 -0.003 0.000 0.217 868 A C 1.965 179.548 177.584 -0.002 0.000 1.175 868 A CA 1.187 53.224 52.037 -0.001 0.000 0.627 868 A CB -0.397 18.601 19.000 -0.003 0.000 0.815 868 A HN 0.173 nan 8.150 nan 0.000 0.443 869 L N -0.850 120.362 121.223 -0.018 0.000 2.558 869 L HA 0.178 4.517 4.340 -0.003 0.000 0.225 869 L C 1.645 178.513 176.870 -0.004 0.000 1.128 869 L CA -0.030 54.803 54.840 -0.013 0.000 0.868 869 L CB -0.456 41.589 42.059 -0.023 0.000 1.006 869 L HN 0.422 nan 8.230 nan 0.000 0.454 870 A N 0.000 122.819 122.820 -0.001 0.000 2.254 870 A HA 0.000 4.318 4.320 -0.003 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 0.017 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486