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 3b34_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 0.000 177.291 177.300 -0.016 0.000 1.155 5 P CA 0.000 63.024 63.100 -0.127 0.000 0.800 5 P CB 0.000 31.605 31.700 -0.158 0.000 0.726 6 Q N 1.364 121.180 119.800 0.027 0.000 2.243 6 Q HA 0.760 5.101 4.340 0.002 0.000 0.252 6 Q C -0.136 175.901 176.000 0.062 0.000 0.909 6 Q CA -0.072 55.771 55.803 0.067 0.000 0.922 6 Q CB 1.510 30.291 28.738 0.073 0.000 1.215 6 Q HN 0.663 nan 8.270 nan 0.000 0.427 7 A N 3.620 126.474 122.820 0.056 0.000 2.425 7 A HA 0.378 4.700 4.320 0.002 0.000 0.249 7 A C -0.405 177.083 177.584 -0.160 0.000 1.084 7 A CA -0.160 51.823 52.037 -0.090 0.000 0.781 7 A CB 0.375 19.257 19.000 -0.197 0.000 1.019 7 A HN 0.636 nan 8.150 nan 0.000 0.490 8 K N 0.638 120.915 120.400 -0.206 0.000 2.203 8 K HA 0.531 4.852 4.320 0.002 0.000 0.251 8 K C -1.752 174.714 176.600 -0.224 0.000 0.944 8 K CA -0.239 56.014 56.287 -0.057 0.000 0.829 8 K CB 1.695 34.280 32.500 0.143 0.000 1.125 8 K HN 0.683 nan 8.250 nan 0.000 0.430 9 Y N 0.508 120.803 120.300 -0.008 0.000 2.409 9 Y HA 0.265 4.817 4.550 0.002 0.000 0.343 9 Y C 1.318 176.711 175.900 -0.846 0.000 0.973 9 Y CA -0.761 57.069 58.100 -0.450 0.000 1.064 9 Y CB 1.827 39.858 38.460 -0.714 0.000 1.207 9 Y HN 0.582 nan 8.280 nan 0.000 0.452 10 R N 1.404 121.130 120.500 -1.290 0.000 2.105 10 R HA -0.183 4.158 4.340 0.002 0.000 0.239 10 R C 1.830 177.878 176.300 -0.419 0.000 1.135 10 R CA 2.148 57.461 56.100 -1.311 0.000 0.967 10 R CB -0.292 29.397 30.300 -1.018 0.000 0.861 10 R HN 0.964 nan 8.270 nan 0.000 0.442 11 H N -1.951 117.027 119.070 -0.153 0.000 2.545 11 H HA -0.024 4.533 4.556 0.002 0.000 0.282 11 H C 0.328 175.668 175.328 0.019 0.000 1.020 11 H CA 0.623 56.648 56.048 -0.039 0.000 1.243 11 H CB 0.065 29.805 29.762 -0.037 0.000 1.377 11 H HN 0.229 nan 8.280 nan 0.000 0.581 12 D N 0.657 121.089 120.400 0.054 0.000 2.340 12 D HA -0.049 4.592 4.640 0.002 0.000 0.220 12 D C 0.158 176.525 176.300 0.111 0.000 1.039 12 D CA -0.099 53.981 54.000 0.133 0.000 0.866 12 D CB -0.491 40.382 40.800 0.121 0.000 0.913 12 D HN 0.399 nan 8.370 nan 0.000 0.523 13 Y N 2.535 122.857 120.300 0.037 0.000 2.810 13 Y HA -0.018 4.533 4.550 0.002 0.000 0.332 13 Y C 0.101 176.036 175.900 0.057 0.000 1.243 13 Y CA 0.298 58.435 58.100 0.061 0.000 1.537 13 Y CB 0.273 38.764 38.460 0.051 0.000 1.265 13 Y HN -0.263 nan 8.280 nan 0.000 0.572 14 R N 4.552 124.538 120.500 -0.855 0.000 2.651 14 R HA 0.555 4.897 4.340 0.002 0.000 0.278 14 R C -0.778 175.014 176.300 -0.848 0.000 1.010 14 R CA -0.715 55.006 56.100 -0.632 0.000 0.896 14 R CB 1.420 31.578 30.300 -0.237 0.000 1.211 14 R HN 0.834 nan 8.270 nan 0.000 0.456 15 A N 4.316 126.865 122.820 -0.452 0.000 2.561 15 A HA 0.239 4.560 4.320 0.002 0.000 0.234 15 A C -1.641 175.848 177.584 -0.158 0.000 1.055 15 A CA -0.463 51.451 52.037 -0.204 0.000 0.756 15 A CB -0.604 18.368 19.000 -0.047 0.000 0.986 15 A HN 0.410 nan 8.150 nan 0.000 0.505 16 P HA 0.140 nan 4.420 nan 0.000 0.275 16 P C -0.305 176.993 177.300 -0.003 0.000 1.227 16 P CA -0.285 62.796 63.100 -0.032 0.000 0.781 16 P CB 0.765 32.467 31.700 0.002 0.000 0.906 17 D N 0.483 120.912 120.400 0.048 0.000 2.218 17 D HA -0.080 4.561 4.640 0.002 0.000 0.204 17 D C 0.061 176.286 176.300 -0.124 0.000 0.976 17 D CA 1.774 55.773 54.000 -0.002 0.000 0.853 17 D CB -0.111 40.737 40.800 0.079 0.000 0.939 17 D HN 0.444 nan 8.370 nan 0.000 0.481 18 Y N -0.294 120.051 120.300 0.075 0.000 2.492 18 Y HA 0.352 4.903 4.550 0.002 0.000 0.346 18 Y C 0.301 176.233 175.900 0.054 0.000 0.997 18 Y CA -0.988 57.169 58.100 0.096 0.000 1.025 18 Y CB 1.605 40.103 38.460 0.063 0.000 1.263 18 Y HN -0.373 nan 8.280 nan 0.000 0.454 19 Q N 2.353 122.301 119.800 0.247 0.000 2.301 19 Q HA 0.589 4.931 4.340 0.002 0.000 0.267 19 Q C -1.099 174.913 176.000 0.019 0.000 1.035 19 Q CA -0.774 55.090 55.803 0.101 0.000 0.856 19 Q CB 3.060 31.870 28.738 0.122 0.000 1.337 19 Q HN 0.704 nan 8.270 nan 0.000 0.450 20 I N 0.848 121.389 120.570 -0.048 0.000 2.406 20 I HA 0.195 4.367 4.170 0.002 0.000 0.290 20 I C 1.231 177.326 176.117 -0.036 0.000 0.999 20 I CA -0.156 61.090 61.300 -0.090 0.000 1.124 20 I CB 2.026 39.933 38.000 -0.155 0.000 1.289 20 I HN 0.720 nan 8.210 nan 0.000 0.441 21 T N -0.172 114.353 114.554 -0.048 0.000 3.039 21 T HA 0.246 4.597 4.350 0.002 0.000 0.250 21 T C 0.133 174.814 174.700 -0.031 0.000 1.052 21 T CA 0.280 62.367 62.100 -0.022 0.000 1.125 21 T CB -0.002 68.851 68.868 -0.025 0.000 0.908 21 T HN 0.524 nan 8.240 nan 0.000 0.473 22 D N -0.124 120.234 120.400 -0.069 0.000 2.859 22 D HA 0.637 5.278 4.640 0.002 0.000 0.223 22 D C -1.743 174.468 176.300 -0.148 0.000 1.218 22 D CA -0.460 53.485 54.000 -0.092 0.000 0.850 22 D CB 2.599 43.362 40.800 -0.063 0.000 1.656 22 D HN 0.337 nan 8.370 nan 0.000 0.484 23 I N 1.038 121.457 120.570 -0.251 0.000 2.569 23 I HA 0.360 4.531 4.170 0.002 0.000 0.290 23 I C -1.654 174.332 176.117 -0.219 0.000 1.088 23 I CA -0.601 60.525 61.300 -0.290 0.000 1.047 23 I CB 1.492 39.192 38.000 -0.500 0.000 1.237 23 I HN 0.228 nan 8.210 nan 0.000 0.421 24 D N 8.847 129.176 120.400 -0.119 0.000 2.381 24 D HA 0.434 5.075 4.640 0.002 0.000 0.235 24 D C -0.664 175.604 176.300 -0.053 0.000 1.068 24 D CA -0.061 53.911 54.000 -0.046 0.000 0.832 24 D CB 2.406 43.188 40.800 -0.030 0.000 1.101 24 D HN 0.382 nan 8.370 nan 0.000 0.515 25 L N 1.402 122.630 121.223 0.009 0.000 2.325 25 L HA 0.461 4.803 4.340 0.002 0.000 0.278 25 L C 0.289 177.164 176.870 0.008 0.000 1.023 25 L CA -0.351 54.465 54.840 -0.039 0.000 0.811 25 L CB 1.818 43.916 42.059 0.064 0.000 1.249 25 L HN 0.160 nan 8.230 nan 0.000 0.431 26 T N 2.127 116.591 114.554 -0.149 0.000 2.848 26 T HA 0.551 4.902 4.350 0.002 0.000 0.285 26 T C -0.889 173.681 174.700 -0.216 0.000 0.995 26 T CA -0.349 61.712 62.100 -0.066 0.000 0.970 26 T CB 0.874 69.687 68.868 -0.092 0.000 0.976 26 T HN 0.074 nan 8.240 nan 0.000 0.441 27 F N 2.103 122.068 119.950 0.026 0.000 2.402 27 F HA 0.346 4.874 4.527 0.002 0.000 0.355 27 F C 0.472 176.274 175.800 0.004 0.000 1.123 27 F CA -1.088 56.920 58.000 0.013 0.000 1.021 27 F CB 1.247 40.270 39.000 0.039 0.000 1.160 27 F HN 0.395 nan 8.300 nan 0.000 0.451 28 D N 4.336 124.808 120.400 0.120 0.000 2.441 28 D HA 0.193 4.834 4.640 0.002 0.000 0.221 28 D C -1.037 175.321 176.300 0.098 0.000 1.156 28 D CA -0.270 53.783 54.000 0.088 0.000 0.896 28 D CB 0.743 41.565 40.800 0.036 0.000 1.028 28 D HN 0.304 nan 8.370 nan 0.000 0.509 29 L N 3.782 125.057 121.223 0.088 0.000 2.276 29 L HA 0.441 4.783 4.340 0.002 0.000 0.286 29 L C -0.620 176.254 176.870 0.005 0.000 1.061 29 L CA 0.009 54.859 54.840 0.018 0.000 0.807 29 L CB 1.308 43.306 42.059 -0.102 0.000 1.177 29 L HN 0.312 nan 8.230 nan 0.000 0.429 30 D N 2.609 123.020 120.400 0.019 0.000 2.927 30 D HA 0.510 5.151 4.640 0.002 0.000 0.219 30 D C 0.383 176.720 176.300 0.061 0.000 1.248 30 D CA 0.073 54.118 54.000 0.076 0.000 0.861 30 D CB 1.848 42.699 40.800 0.085 0.000 1.677 30 D HN 0.558 nan 8.370 nan 0.000 0.511 31 A N 2.220 125.104 122.820 0.106 0.000 1.933 31 A HA -0.179 4.143 4.320 0.002 0.000 0.218 31 A C 1.752 179.369 177.584 0.056 0.000 1.175 31 A CA 1.352 53.438 52.037 0.082 0.000 0.628 31 A CB -0.324 18.743 19.000 0.111 0.000 0.814 31 A HN 0.611 nan 8.150 nan 0.000 0.444 32 Q N -0.943 118.891 119.800 0.056 0.000 2.123 32 Q HA 0.080 4.422 4.340 0.002 0.000 0.196 32 Q C 0.735 176.757 176.000 0.036 0.000 0.958 32 Q CA 1.144 56.971 55.803 0.041 0.000 0.841 32 Q CB 0.072 28.833 28.738 0.038 0.000 0.915 32 Q HN 0.672 nan 8.270 nan 0.000 0.455 33 K N 0.496 120.920 120.400 0.039 0.000 2.687 33 K HA 0.277 4.598 4.320 0.002 0.000 0.249 33 K C -1.440 175.182 176.600 0.037 0.000 0.994 33 K CA 0.047 56.354 56.287 0.032 0.000 0.913 33 K CB 1.407 33.923 32.500 0.028 0.000 1.202 33 K HN -0.181 nan 8.250 nan 0.000 0.460 34 T N 2.831 117.408 114.554 0.037 0.000 2.795 34 T HA 0.328 4.679 4.350 0.002 0.000 0.282 34 T C -0.645 174.069 174.700 0.024 0.000 0.980 34 T CA -0.474 61.657 62.100 0.052 0.000 1.012 34 T CB 1.312 70.235 68.868 0.091 0.000 0.936 34 T HN 0.246 nan 8.240 nan 0.000 0.457 35 V N 4.233 124.153 119.914 0.011 0.000 2.394 35 V HA 0.522 4.643 4.120 0.002 0.000 0.282 35 V C 0.022 176.051 176.094 -0.109 0.000 1.031 35 V CA -0.744 61.531 62.300 -0.040 0.000 0.881 35 V CB 1.500 33.305 31.823 -0.031 0.000 0.982 35 V HN 0.661 nan 8.190 nan 0.000 0.451 36 V N 4.857 124.655 119.914 -0.193 0.000 2.417 36 V HA 0.669 4.790 4.120 0.002 0.000 0.291 36 V C -0.045 175.871 176.094 -0.297 0.000 1.024 36 V CA 0.229 62.295 62.300 -0.390 0.000 0.861 36 V CB 2.059 33.554 31.823 -0.547 0.000 0.985 36 V HN 0.947 nan 8.190 nan 0.000 0.436 37 T N 6.801 121.170 114.554 -0.307 0.000 2.779 37 T HA 0.790 5.142 4.350 0.002 0.000 0.280 37 T C -0.251 174.316 174.700 -0.222 0.000 0.987 37 T CA 0.009 61.983 62.100 -0.210 0.000 0.966 37 T CB 1.360 70.131 68.868 -0.162 0.000 0.933 37 T HN 1.231 nan 8.240 nan 0.000 0.442 38 A N 3.061 125.783 122.820 -0.163 0.000 2.332 38 A HA 0.707 5.028 4.320 0.002 0.000 0.300 38 A C -0.693 176.843 177.584 -0.080 0.000 1.153 38 A CA -0.643 51.315 52.037 -0.131 0.000 0.764 38 A CB 0.997 19.933 19.000 -0.107 0.000 1.174 38 A HN 0.665 nan 8.150 nan 0.000 0.467 39 V N 2.688 122.553 119.914 -0.080 0.000 2.334 39 V HA 0.468 4.589 4.120 0.002 0.000 0.281 39 V C 0.098 176.153 176.094 -0.065 0.000 1.016 39 V CA -0.259 62.002 62.300 -0.065 0.000 0.832 39 V CB 1.157 32.938 31.823 -0.070 0.000 0.999 39 V HN 0.845 nan 8.190 nan 0.000 0.439 40 S N 4.288 119.957 115.700 -0.051 0.000 2.472 40 S HA 0.529 5.000 4.470 0.002 0.000 0.303 40 S C -0.623 173.905 174.600 -0.120 0.000 1.099 40 S CA -0.785 57.374 58.200 -0.067 0.000 1.077 40 S CB 1.633 64.821 63.200 -0.020 0.000 1.031 40 S HN 0.660 nan 8.310 nan 0.000 0.487 41 Q N 1.897 121.612 119.800 -0.141 0.000 2.331 41 Q HA 0.624 4.965 4.340 0.002 0.000 0.257 41 Q C -0.444 175.393 176.000 -0.272 0.000 0.957 41 Q CA -0.289 55.398 55.803 -0.193 0.000 0.923 41 Q CB 1.383 30.043 28.738 -0.130 0.000 1.212 41 Q HN 0.714 nan 8.270 nan 0.000 0.443 42 A N 2.148 124.660 122.820 -0.512 0.000 2.356 42 A HA 0.840 5.161 4.320 0.002 0.000 0.323 42 A C -0.753 176.511 177.584 -0.533 0.000 1.119 42 A CA -0.631 51.051 52.037 -0.592 0.000 0.790 42 A CB 1.473 19.913 19.000 -0.933 0.000 1.273 42 A HN 0.418 nan 8.150 nan 0.000 0.452 43 V N 1.485 121.267 119.914 -0.220 0.000 2.623 43 V HA 0.449 4.570 4.120 0.002 0.000 0.304 43 V C 0.009 176.066 176.094 -0.061 0.000 1.054 43 V CA -0.653 61.560 62.300 -0.144 0.000 0.882 43 V CB 1.673 33.407 31.823 -0.149 0.000 1.002 43 V HN 0.993 nan 8.190 nan 0.000 0.424 44 R N 2.763 123.184 120.500 -0.132 0.000 2.298 44 R HA 0.378 4.719 4.340 0.002 0.000 0.310 44 R C 0.356 176.415 176.300 -0.401 0.000 1.068 44 R CA -0.210 55.652 56.100 -0.396 0.000 0.957 44 R CB 0.448 30.510 30.300 -0.398 0.000 1.003 44 R HN 0.856 nan 8.270 nan 0.000 0.454 45 H N 2.117 121.021 119.070 -0.276 0.000 2.729 45 H HA 0.132 4.689 4.556 0.002 0.000 0.263 45 H C 0.953 176.189 175.328 -0.155 0.000 0.961 45 H CA 0.546 56.500 56.048 -0.156 0.000 1.217 45 H CB 1.094 30.796 29.762 -0.099 0.000 1.447 45 H HN 0.744 nan 8.280 nan 0.000 0.496 46 G N 0.680 109.408 108.800 -0.119 0.000 2.509 46 G HA2 0.419 4.380 3.960 0.002 0.000 0.269 46 G HA3 0.419 4.380 3.960 0.002 0.000 0.269 46 G C -0.174 174.667 174.900 -0.098 0.000 1.416 46 G CA 0.059 45.102 45.100 -0.095 0.000 1.052 46 G HN 0.311 nan 8.290 nan 0.000 0.542 47 A N -0.885 121.902 122.820 -0.056 0.000 2.483 47 A HA 0.422 4.743 4.320 0.002 0.000 0.238 47 A C 1.698 179.264 177.584 -0.031 0.000 1.070 47 A CA 0.573 52.592 52.037 -0.029 0.000 0.770 47 A CB 0.245 19.243 19.000 -0.003 0.000 1.008 47 A HN 0.633 nan 8.150 nan 0.000 0.497 48 S N 0.691 116.382 115.700 -0.014 0.000 2.419 48 S HA -0.151 4.320 4.470 0.002 0.000 0.235 48 S C 1.218 175.841 174.600 0.040 0.000 1.019 48 S CA 1.637 59.840 58.200 0.005 0.000 0.982 48 S CB -0.287 62.919 63.200 0.009 0.000 0.789 48 S HN 0.936 nan 8.310 nan 0.000 0.490 49 D N 1.112 121.536 120.400 0.040 0.000 2.328 49 D HA 0.274 4.915 4.640 0.002 0.000 0.221 49 D C 0.319 176.669 176.300 0.083 0.000 1.072 49 D CA -0.063 53.972 54.000 0.058 0.000 0.850 49 D CB -0.287 40.537 40.800 0.041 0.000 0.922 49 D HN 0.256 nan 8.370 nan 0.000 0.516 50 A N 1.846 124.725 122.820 0.097 0.000 2.409 50 A HA 0.497 4.818 4.320 0.002 0.000 0.262 50 A C -2.193 175.549 177.584 0.264 0.000 1.113 50 A CA -1.062 51.062 52.037 0.145 0.000 0.790 50 A CB 0.244 19.312 19.000 0.113 0.000 1.046 50 A HN 0.111 nan 8.150 nan 0.000 0.496 51 P HA 0.294 nan 4.420 nan 0.000 0.279 51 P C -0.690 176.692 177.300 0.137 0.000 1.252 51 P CA -0.549 62.644 63.100 0.154 0.000 0.811 51 P CB 0.846 32.599 31.700 0.087 0.000 1.035 52 L N 2.881 123.992 121.223 -0.187 0.000 2.313 52 L HA 0.265 4.607 4.340 0.002 0.000 0.282 52 L C 0.197 176.979 176.870 -0.147 0.000 1.092 52 L CA 0.114 54.697 54.840 -0.428 0.000 0.831 52 L CB -0.187 41.431 42.059 -0.736 0.000 1.159 52 L HN 0.241 nan 8.230 nan 0.000 0.442 53 R N 6.541 127.011 120.500 -0.049 0.000 2.239 53 R HA 0.501 4.843 4.340 0.002 0.000 0.332 53 R C -1.190 175.113 176.300 0.006 0.000 0.988 53 R CA -0.579 55.521 56.100 -0.001 0.000 0.859 53 R CB 0.797 31.125 30.300 0.046 0.000 1.148 53 R HN 0.616 nan 8.270 nan 0.000 0.482 54 L N 2.941 124.165 121.223 0.001 0.000 2.309 54 L HA 0.356 4.697 4.340 0.002 0.000 0.282 54 L C 0.166 177.144 176.870 0.181 0.000 1.036 54 L CA -0.956 53.925 54.840 0.068 0.000 0.806 54 L CB 1.216 43.306 42.059 0.051 0.000 1.220 54 L HN 0.473 nan 8.230 nan 0.000 0.429 55 N N 2.117 120.944 118.700 0.212 0.000 2.514 55 N HA 0.511 5.252 4.740 0.002 0.000 0.277 55 N C -0.129 175.521 175.510 0.234 0.000 1.126 55 N CA -0.069 53.110 53.050 0.214 0.000 0.978 55 N CB 1.950 40.548 38.487 0.185 0.000 1.106 55 N HN 0.798 nan 8.380 nan 0.000 0.461 56 G N 0.600 109.475 108.800 0.126 0.000 2.759 56 G HA2 0.352 4.314 3.960 0.002 0.000 0.297 56 G HA3 0.352 4.314 3.960 0.002 0.000 0.297 56 G C -1.417 173.327 174.900 -0.260 0.000 1.434 56 G CA -0.476 44.462 45.100 -0.270 0.000 0.980 56 G HN 0.303 nan 8.290 nan 0.000 0.531 57 E N 1.712 121.651 120.200 -0.436 0.000 2.263 57 E HA 0.332 4.684 4.350 0.002 0.000 0.268 57 E C -0.997 175.391 176.600 -0.353 0.000 0.884 57 E CA -0.584 55.556 56.400 -0.434 0.000 0.766 57 E CB 2.105 31.317 29.700 -0.812 0.000 1.196 57 E HN 0.566 nan 8.360 nan 0.000 0.416 58 D N 1.644 121.939 120.400 -0.176 0.000 2.699 58 D HA -0.191 4.450 4.640 0.002 0.000 0.239 58 D C -0.487 175.745 176.300 -0.113 0.000 1.136 58 D CA 0.918 54.867 54.000 -0.086 0.000 0.668 58 D CB -1.195 39.601 40.800 -0.007 0.000 1.060 58 D HN 0.324 nan 8.370 nan 0.000 0.429 59 L N -0.446 120.673 121.223 -0.172 0.000 2.334 59 L HA 0.410 4.751 4.340 0.002 0.000 0.276 59 L C 0.827 177.654 176.870 -0.073 0.000 1.014 59 L CA -0.849 53.875 54.840 -0.194 0.000 0.815 59 L CB 2.018 43.802 42.059 -0.458 0.000 1.268 59 L HN -0.170 nan 8.230 nan 0.000 0.428 60 K N 3.269 123.643 120.400 -0.043 0.000 2.292 60 K HA 0.331 4.653 4.320 0.002 0.000 0.270 60 K C -0.926 175.686 176.600 0.020 0.000 1.062 60 K CA -0.771 55.521 56.287 0.007 0.000 0.916 60 K CB 1.004 33.507 32.500 0.006 0.000 1.166 60 K HN 0.408 nan 8.250 nan 0.000 0.458 61 L N 5.723 126.987 121.223 0.068 0.000 2.361 61 L HA 0.060 4.401 4.340 0.002 0.000 0.278 61 L C 0.347 177.224 176.870 0.012 0.000 1.113 61 L CA 0.398 55.270 54.840 0.053 0.000 0.849 61 L CB 1.296 43.381 42.059 0.043 0.000 1.155 61 L HN 0.581 nan 8.230 nan 0.000 0.452 62 V N 2.836 122.745 119.914 -0.008 0.000 2.581 62 V HA 0.249 4.370 4.120 0.002 0.000 0.240 62 V C 0.688 176.786 176.094 0.006 0.000 1.054 62 V CA 1.132 63.436 62.300 0.006 0.000 1.076 62 V CB 0.047 31.871 31.823 0.001 0.000 0.748 62 V HN 0.939 nan 8.190 nan 0.000 0.474 63 S N -1.531 114.155 115.700 -0.023 0.000 2.567 63 S HA 0.696 5.168 4.470 0.002 0.000 0.270 63 S C -1.405 173.153 174.600 -0.071 0.000 1.152 63 S CA -0.646 57.549 58.200 -0.008 0.000 0.835 63 S CB 2.277 65.565 63.200 0.147 0.000 1.115 63 S HN -0.035 nan 8.310 nan 0.000 0.459 64 V N 2.800 122.634 119.914 -0.135 0.000 2.525 64 V HA 0.561 4.682 4.120 0.002 0.000 0.299 64 V C -0.943 175.098 176.094 -0.088 0.000 1.034 64 V CA -0.386 61.806 62.300 -0.179 0.000 0.863 64 V CB 1.366 32.881 31.823 -0.514 0.000 0.999 64 V HN 0.988 nan 8.190 nan 0.000 0.423 65 H N 5.006 124.048 119.070 -0.047 0.000 2.637 65 H HA 0.586 5.143 4.556 0.002 0.000 0.363 65 H C -1.254 174.028 175.328 -0.076 0.000 1.131 65 H CA -0.790 55.265 56.048 0.012 0.000 1.183 65 H CB 2.972 32.743 29.762 0.014 0.000 1.637 65 H HN 0.347 nan 8.280 nan 0.000 0.531 66 I N 2.803 123.377 120.570 0.006 0.000 2.410 66 I HA 0.036 4.207 4.170 0.002 0.000 0.286 66 I C 0.185 176.299 176.117 -0.005 0.000 1.009 66 I CA -0.666 60.517 61.300 -0.195 0.000 1.111 66 I CB 1.050 38.523 38.000 -0.879 0.000 1.262 66 I HN 0.694 nan 8.210 nan 0.000 0.443 67 N N 5.232 123.959 118.700 0.044 0.000 2.716 67 N HA -0.219 4.523 4.740 0.002 0.000 0.250 67 N C 0.152 175.717 175.510 0.092 0.000 1.033 67 N CA 1.139 54.231 53.050 0.070 0.000 0.727 67 N CB -0.754 37.777 38.487 0.074 0.000 0.950 67 N HN 0.693 nan 8.380 nan 0.000 0.541 68 D N -2.309 118.157 120.400 0.111 0.000 3.046 68 D HA -0.226 4.416 4.640 0.002 0.000 0.210 68 D C 0.152 176.619 176.300 0.278 0.000 1.124 68 D CA 1.708 55.794 54.000 0.144 0.000 0.986 68 D CB -0.762 40.074 40.800 0.061 0.000 1.118 68 D HN 0.759 nan 8.370 nan 0.000 0.416 69 E N 1.174 121.527 120.200 0.256 0.000 2.167 69 E HA 0.396 4.747 4.350 0.002 0.000 0.284 69 E C -2.663 174.044 176.600 0.179 0.000 1.016 69 E CA -2.014 54.531 56.400 0.240 0.000 0.817 69 E CB 1.043 30.897 29.700 0.256 0.000 1.080 69 E HN -0.128 nan 8.360 nan 0.000 0.397 70 P HA -0.060 nan 4.420 nan 0.000 0.261 70 P C -1.004 176.322 177.300 0.044 0.000 1.183 70 P CA 0.235 63.144 63.100 -0.319 0.000 0.761 70 P CB 0.246 31.818 31.700 -0.213 0.000 0.785 71 W N 3.740 124.960 121.300 -0.135 0.000 2.417 71 W HA 0.163 4.824 4.660 0.002 0.000 0.317 71 W C 0.663 177.307 176.519 0.207 0.000 1.121 71 W CA -0.339 57.023 57.345 0.029 0.000 1.208 71 W CB 1.656 31.131 29.460 0.026 0.000 1.253 71 W HN 0.375 nan 8.180 nan 0.000 0.533 72 T N 0.825 115.188 114.554 -0.319 0.000 2.990 72 T HA 0.196 4.547 4.350 0.002 0.000 0.250 72 T C 0.713 175.157 174.700 -0.426 0.000 1.041 72 T CA 0.116 62.038 62.100 -0.297 0.000 1.010 72 T CB 0.376 69.047 68.868 -0.328 0.000 1.003 72 T HN 0.381 nan 8.240 nan 0.000 0.499 73 A N 2.780 125.260 122.820 -0.568 0.000 3.078 73 A HA 0.578 4.899 4.320 0.002 0.000 0.279 73 A C -0.128 177.582 177.584 0.210 0.000 1.594 73 A CA -1.088 50.794 52.037 -0.259 0.000 1.301 73 A CB -0.911 17.912 19.000 -0.294 0.000 1.162 73 A HN 0.692 nan 8.150 nan 0.000 0.585 74 W N 0.552 121.864 121.300 0.020 0.000 3.074 74 W HA 0.687 5.348 4.660 0.002 0.000 0.332 74 W C -1.410 175.095 176.519 -0.023 0.000 1.253 74 W CA -1.039 56.329 57.345 0.039 0.000 1.180 74 W CB 0.705 30.208 29.460 0.071 0.000 1.445 74 W HN 0.404 nan 8.180 nan 0.000 0.573 75 K N 0.529 121.097 120.400 0.279 0.000 2.527 75 K HA 0.532 4.853 4.320 0.002 0.000 0.260 75 K C -1.228 175.539 176.600 0.278 0.000 0.937 75 K CA -0.783 55.581 56.287 0.128 0.000 0.826 75 K CB 3.188 35.677 32.500 -0.019 0.000 1.359 75 K HN 0.441 nan 8.250 nan 0.000 0.434 76 E N 1.470 121.832 120.200 0.270 0.000 2.249 76 E HA 0.117 4.468 4.350 0.002 0.000 0.280 76 E C -0.997 175.668 176.600 0.108 0.000 1.016 76 E CA -0.564 55.941 56.400 0.176 0.000 0.830 76 E CB 1.597 31.431 29.700 0.222 0.000 1.081 76 E HN 0.505 nan 8.360 nan 0.000 0.395 77 E N 2.415 122.669 120.200 0.090 0.000 2.378 77 E HA 0.117 4.468 4.350 0.002 0.000 0.265 77 E C -0.996 175.653 176.600 0.082 0.000 0.932 77 E CA -0.832 55.611 56.400 0.072 0.000 0.795 77 E CB 1.513 31.249 29.700 0.060 0.000 1.296 77 E HN 0.311 nan 8.360 nan 0.000 0.438 78 E N 0.291 120.529 120.200 0.064 0.000 2.606 78 E HA 0.083 4.435 4.350 0.002 0.000 0.248 78 E C 0.565 177.207 176.600 0.070 0.000 1.005 78 E CA 1.739 58.174 56.400 0.059 0.000 0.946 78 E CB -0.353 29.372 29.700 0.042 0.000 0.928 78 E HN 0.761 nan 8.360 nan 0.000 0.494 79 G N 2.588 111.433 108.800 0.074 0.000 2.166 79 G HA2 -0.143 3.818 3.960 0.002 0.000 0.260 79 G HA3 -0.143 3.818 3.960 0.002 0.000 0.260 79 G C 0.187 175.171 174.900 0.141 0.000 0.986 79 G CA 0.475 45.621 45.100 0.077 0.000 0.683 79 G HN 1.097 nan 8.290 nan 0.000 0.527 80 A N -1.398 121.531 122.820 0.181 0.000 2.594 80 A HA 0.843 5.164 4.320 0.002 0.000 0.295 80 A C -1.193 176.431 177.584 0.067 0.000 1.071 80 A CA -0.349 51.791 52.037 0.171 0.000 0.685 80 A CB 1.791 20.849 19.000 0.097 0.000 1.285 80 A HN 1.544 nan 8.150 nan 0.000 0.405 81 L N 1.817 122.954 121.223 -0.143 0.000 2.325 81 L HA 0.723 5.064 4.340 0.002 0.000 0.281 81 L C -1.251 175.535 176.870 -0.139 0.000 1.004 81 L CA -0.374 54.249 54.840 -0.361 0.000 0.823 81 L CB 1.616 43.050 42.059 -1.041 0.000 1.236 81 L HN 0.438 nan 8.230 nan 0.000 0.415 82 V N 6.956 126.861 119.914 -0.014 0.000 2.357 82 V HA 0.479 4.601 4.120 0.002 0.000 0.284 82 V C 0.075 176.217 176.094 0.080 0.000 1.018 82 V CA -0.357 61.958 62.300 0.024 0.000 0.841 82 V CB 1.275 33.127 31.823 0.048 0.000 0.991 82 V HN 0.596 nan 8.190 nan 0.000 0.437 83 I N 3.834 124.418 120.570 0.023 0.000 2.362 83 I HA 0.456 4.628 4.170 0.002 0.000 0.289 83 I C 0.288 176.446 176.117 0.068 0.000 0.994 83 I CA 0.052 61.396 61.300 0.073 0.000 1.158 83 I CB 1.828 39.761 38.000 -0.112 0.000 1.315 83 I HN 0.517 nan 8.210 nan 0.000 0.451 84 S N 4.480 120.307 115.700 0.210 0.000 2.690 84 S HA 0.383 4.854 4.470 0.002 0.000 0.291 84 S C 0.243 175.010 174.600 0.278 0.000 1.138 84 S CA -0.558 57.749 58.200 0.179 0.000 1.013 84 S CB 0.988 64.263 63.200 0.124 0.000 1.053 84 S HN 0.768 nan 8.310 nan 0.000 0.539 85 N N 0.304 119.116 118.700 0.187 0.000 2.758 85 N HA -0.140 4.602 4.740 0.002 0.000 0.248 85 N C -1.101 174.559 175.510 0.250 0.000 1.076 85 N CA 0.414 53.586 53.050 0.203 0.000 0.696 85 N CB -1.789 36.800 38.487 0.170 0.000 0.979 85 N HN 0.461 nan 8.380 nan 0.000 0.550 86 L N 0.237 121.499 121.223 0.065 0.000 2.379 86 L HA 0.520 4.862 4.340 0.002 0.000 0.269 86 L C -1.311 175.531 176.870 -0.047 0.000 1.084 86 L CA -1.601 53.114 54.840 -0.210 0.000 0.802 86 L CB 0.348 42.056 42.059 -0.586 0.000 1.175 86 L HN -0.091 nan 8.230 nan 0.000 0.448 87 P HA 0.036 nan 4.420 nan 0.000 0.274 87 P C 0.256 177.704 177.300 0.246 0.000 1.260 87 P CA -0.441 62.720 63.100 0.100 0.000 0.793 87 P CB 0.599 32.369 31.700 0.118 0.000 1.048 88 E N -0.238 120.067 120.200 0.175 0.000 2.150 88 E HA -0.123 4.228 4.350 0.002 0.000 0.193 88 E C -0.028 176.666 176.600 0.156 0.000 0.985 88 E CA 0.898 57.377 56.400 0.132 0.000 0.814 88 E CB 0.225 29.943 29.700 0.031 0.000 0.752 88 E HN 0.297 nan 8.360 nan 0.000 0.466 89 R N -0.637 119.969 120.500 0.178 0.000 2.621 89 R HA 0.430 4.772 4.340 0.002 0.000 0.284 89 R C -1.288 175.111 176.300 0.165 0.000 0.998 89 R CA -0.616 55.511 56.100 0.044 0.000 0.895 89 R CB 1.597 31.882 30.300 -0.025 0.000 1.195 89 R HN -0.007 nan 8.270 nan 0.000 0.450 90 F N -2.427 117.502 119.950 -0.035 0.000 2.770 90 F HA 0.440 4.968 4.527 0.002 0.000 0.313 90 F C -1.239 174.516 175.800 -0.075 0.000 1.154 90 F CA -1.061 56.899 58.000 -0.066 0.000 0.923 90 F CB 1.404 40.333 39.000 -0.119 0.000 1.301 90 F HN 0.163 nan 8.300 nan 0.000 0.449 91 T N 3.264 117.882 114.554 0.108 0.000 2.749 91 T HA 0.546 4.897 4.350 0.002 0.000 0.287 91 T C -0.946 173.828 174.700 0.124 0.000 0.970 91 T CA -0.311 61.807 62.100 0.029 0.000 0.980 91 T CB 1.067 69.940 68.868 0.009 0.000 0.924 91 T HN 0.721 nan 8.240 nan 0.000 0.456 92 L N 3.839 125.111 121.223 0.080 0.000 2.275 92 L HA 0.615 4.957 4.340 0.002 0.000 0.288 92 L C -0.186 176.686 176.870 0.004 0.000 1.046 92 L CA -0.267 54.612 54.840 0.066 0.000 0.805 92 L CB 0.817 42.927 42.059 0.085 0.000 1.193 92 L HN 0.481 nan 8.230 nan 0.000 0.426 93 K N 5.920 126.321 120.400 0.002 0.000 2.413 93 K HA 0.638 4.959 4.320 0.002 0.000 0.257 93 K C -1.576 175.018 176.600 -0.009 0.000 0.946 93 K CA -0.461 55.817 56.287 -0.016 0.000 0.823 93 K CB 0.970 33.444 32.500 -0.043 0.000 1.109 93 K HN 0.727 nan 8.250 nan 0.000 0.427 94 I N 5.924 126.473 120.570 -0.034 0.000 2.466 94 I HA 0.377 4.549 4.170 0.002 0.000 0.289 94 I C -0.574 175.509 176.117 -0.057 0.000 1.026 94 I CA -0.866 60.409 61.300 -0.041 0.000 1.078 94 I CB 1.873 39.859 38.000 -0.023 0.000 1.249 94 I HN 0.490 nan 8.210 nan 0.000 0.429 95 I N 7.069 127.610 120.570 -0.048 0.000 2.404 95 I HA 0.428 4.600 4.170 0.002 0.000 0.293 95 I C -0.510 175.575 176.117 -0.054 0.000 0.992 95 I CA -0.449 60.812 61.300 -0.066 0.000 1.149 95 I CB 1.347 39.317 38.000 -0.050 0.000 1.315 95 I HN 0.672 nan 8.210 nan 0.000 0.446 96 N N 4.706 123.358 118.700 -0.080 0.000 2.610 96 N HA 0.459 5.201 4.740 0.002 0.000 0.264 96 N C -1.487 173.975 175.510 -0.080 0.000 1.348 96 N CA -0.913 52.096 53.050 -0.068 0.000 0.819 96 N CB 2.333 40.771 38.487 -0.081 0.000 1.521 96 N HN 0.475 nan 8.380 nan 0.000 0.497 97 E N 0.553 120.719 120.200 -0.057 0.000 2.227 97 E HA 0.627 4.978 4.350 0.002 0.000 0.268 97 E C -0.449 176.125 176.600 -0.043 0.000 0.907 97 E CA -0.871 55.504 56.400 -0.041 0.000 0.786 97 E CB 2.581 32.271 29.700 -0.016 0.000 1.191 97 E HN 0.579 nan 8.360 nan 0.000 0.411 98 I N -2.184 118.372 120.570 -0.023 0.000 3.174 98 I HA 0.646 4.817 4.170 0.002 0.000 0.313 98 I C -0.778 175.348 176.117 0.016 0.000 1.155 98 I CA -0.871 60.424 61.300 -0.008 0.000 0.977 98 I CB 2.423 40.419 38.000 -0.007 0.000 1.248 98 I HN 0.336 nan 8.210 nan 0.000 0.453 99 S N 2.608 118.322 115.700 0.024 0.000 2.395 99 S HA 0.511 4.982 4.470 0.002 0.000 0.207 99 S C -2.064 172.559 174.600 0.038 0.000 1.454 99 S CA -1.277 56.941 58.200 0.029 0.000 1.211 99 S CB 0.708 63.922 63.200 0.023 0.000 1.093 99 S HN 0.569 nan 8.310 nan 0.000 0.472 100 P HA -0.082 nan 4.420 nan 0.000 0.216 100 P C 1.451 178.782 177.300 0.052 0.000 1.150 100 P CA 1.279 64.412 63.100 0.055 0.000 0.843 100 P CB 0.143 31.863 31.700 0.034 0.000 0.787 101 A N -0.075 122.767 122.820 0.036 0.000 2.024 101 A HA -0.087 4.234 4.320 0.002 0.000 0.220 101 A C 2.196 179.787 177.584 0.011 0.000 1.164 101 A CA 1.893 53.943 52.037 0.021 0.000 0.643 101 A CB -1.436 17.576 19.000 0.020 0.000 0.806 101 A HN 0.228 nan 8.150 nan 0.000 0.451 102 A N -0.690 122.139 122.820 0.016 0.000 2.208 102 A HA 0.070 4.391 4.320 0.002 0.000 0.209 102 A C 1.055 178.640 177.584 0.002 0.000 1.161 102 A CA 0.266 52.308 52.037 0.008 0.000 0.782 102 A CB -0.362 18.645 19.000 0.013 0.000 0.816 102 A HN 0.380 nan 8.150 nan 0.000 0.477 103 N N 1.300 120.006 118.700 0.011 0.000 2.663 103 N HA 0.045 4.786 4.740 0.002 0.000 0.250 103 N C 1.085 176.561 175.510 -0.056 0.000 1.129 103 N CA 0.795 53.841 53.050 -0.006 0.000 0.995 103 N CB 0.532 39.047 38.487 0.046 0.000 1.324 103 N HN 0.361 nan 8.380 nan 0.000 0.512 104 T N -1.071 113.439 114.554 -0.074 0.000 3.067 104 T HA 0.091 4.442 4.350 0.002 0.000 0.261 104 T C 1.591 176.198 174.700 -0.154 0.000 1.110 104 T CA 0.547 62.587 62.100 -0.100 0.000 1.113 104 T CB 0.103 68.931 68.868 -0.065 0.000 0.917 104 T HN 0.248 nan 8.240 nan 0.000 0.499 105 A N 1.857 124.574 122.820 -0.172 0.000 2.119 105 A HA 0.417 4.738 4.320 0.002 0.000 0.217 105 A C 1.468 178.841 177.584 -0.352 0.000 1.153 105 A CA 0.526 52.432 52.037 -0.218 0.000 0.692 105 A CB -0.773 18.113 19.000 -0.190 0.000 0.799 105 A HN 0.723 nan 8.150 nan 0.000 0.458 106 L N -1.301 119.624 121.223 -0.497 0.000 3.717 106 L HA -0.222 4.120 4.340 0.002 0.000 0.411 106 L C -0.261 176.205 176.870 -0.674 0.000 1.233 106 L CA 0.750 54.966 54.840 -1.040 0.000 0.917 106 L CB -2.376 39.034 42.059 -1.082 0.000 1.902 106 L HN 0.823 nan 8.230 nan 0.000 0.894 107 E N -0.591 119.389 120.200 -0.366 0.000 2.246 107 E HA 0.727 5.079 4.350 0.002 0.000 0.266 107 E C 0.573 177.079 176.600 -0.158 0.000 0.880 107 E CA -0.267 55.977 56.400 -0.259 0.000 0.762 107 E CB 2.467 31.934 29.700 -0.388 0.000 1.180 107 E HN 0.267 nan 8.360 nan 0.000 0.416 108 G N 1.847 110.659 108.800 0.019 0.000 2.481 108 G HA2 -0.210 3.752 3.960 0.002 0.000 0.230 108 G HA3 -0.210 3.752 3.960 0.002 0.000 0.230 108 G C -1.213 173.805 174.900 0.197 0.000 1.210 108 G CA -0.321 44.850 45.100 0.118 0.000 0.936 108 G HN 0.733 nan 8.290 nan 0.000 0.583 109 L N 1.953 123.270 121.223 0.156 0.000 2.264 109 L HA 0.810 5.151 4.340 0.002 0.000 0.289 109 L C 0.000 176.959 176.870 0.148 0.000 1.044 109 L CA -0.691 54.210 54.840 0.101 0.000 0.807 109 L CB 0.379 42.483 42.059 0.075 0.000 1.192 109 L HN 1.143 nan 8.230 nan 0.000 0.425 110 Y N 1.754 122.049 120.300 -0.008 0.000 2.715 110 Y HA 0.633 5.184 4.550 0.002 0.000 0.331 110 Y C -0.998 174.893 175.900 -0.015 0.000 1.197 110 Y CA -1.254 56.835 58.100 -0.019 0.000 1.079 110 Y CB 1.004 39.445 38.460 -0.032 0.000 1.298 110 Y HN 0.605 nan 8.280 nan 0.000 0.477 111 Q N 1.320 121.212 119.800 0.153 0.000 2.271 111 Q HA 0.516 4.858 4.340 0.002 0.000 0.258 111 Q C -1.277 174.752 176.000 0.048 0.000 0.936 111 Q CA -0.733 55.084 55.803 0.024 0.000 0.909 111 Q CB 1.563 30.301 28.738 0.000 0.000 1.253 111 Q HN 0.729 nan 8.270 nan 0.000 0.440 112 S N 3.078 118.780 115.700 0.005 0.000 2.667 112 S HA 0.602 5.073 4.470 0.002 0.000 0.304 112 S C 0.346 175.003 174.600 0.095 0.000 1.135 112 S CA 0.401 58.665 58.200 0.107 0.000 1.125 112 S CB 0.234 63.621 63.200 0.312 0.000 0.996 112 S HN 1.036 nan 8.310 nan 0.000 0.474 113 G N 4.956 113.706 108.800 -0.083 0.000 2.602 113 G HA2 -0.303 3.658 3.960 0.002 0.000 0.310 113 G HA3 -0.303 3.658 3.960 0.002 0.000 0.310 113 G C 0.325 175.225 174.900 0.000 0.000 1.183 113 G CA 0.750 45.873 45.100 0.038 0.000 0.979 113 G HN 0.633 nan 8.290 nan 0.000 0.545 114 D N 2.001 122.415 120.400 0.024 0.000 2.350 114 D HA 0.447 5.089 4.640 0.002 0.000 0.213 114 D C 1.412 177.746 176.300 0.057 0.000 1.031 114 D CA 0.945 54.946 54.000 0.001 0.000 0.861 114 D CB 0.103 40.869 40.800 -0.056 0.000 0.926 114 D HN 0.770 nan 8.370 nan 0.000 0.520 115 A N 0.592 123.456 122.820 0.073 0.000 2.302 115 A HA 0.571 4.893 4.320 0.002 0.000 0.285 115 A C -0.116 177.526 177.584 0.096 0.000 1.105 115 A CA -0.333 51.782 52.037 0.129 0.000 0.816 115 A CB 0.598 19.709 19.000 0.184 0.000 1.067 115 A HN 0.110 nan 8.150 nan 0.000 0.489 116 L N 1.009 122.266 121.223 0.057 0.000 2.317 116 L HA 0.613 4.954 4.340 0.002 0.000 0.281 116 L C -0.171 176.591 176.870 -0.180 0.000 1.024 116 L CA -0.526 54.249 54.840 -0.108 0.000 0.810 116 L CB 1.412 43.354 42.059 -0.195 0.000 1.240 116 L HN 1.002 nan 8.230 nan 0.000 0.427 117 C N -0.452 118.641 119.300 -0.346 0.000 3.288 117 C HA 0.881 5.342 4.460 0.002 0.000 0.318 117 C C 0.039 174.757 174.990 -0.454 0.000 1.356 117 C CA -0.702 58.089 59.018 -0.378 0.000 1.359 117 C CB 1.449 28.993 27.740 -0.327 0.000 1.688 117 C HN 0.862 nan 8.230 nan 0.000 0.467 118 T N -0.676 113.730 114.554 -0.248 0.000 2.932 118 T HA 0.741 5.093 4.350 0.002 0.000 0.289 118 T C -0.965 173.805 174.700 0.118 0.000 1.039 118 T CA -0.167 61.904 62.100 -0.047 0.000 1.024 118 T CB 1.795 70.670 68.868 0.012 0.000 1.090 118 T HN 1.149 nan 8.240 nan 0.000 0.496 119 Q N 0.401 120.342 119.800 0.235 0.000 2.294 119 Q HA 0.501 4.842 4.340 0.002 0.000 0.264 119 Q C -0.659 175.426 176.000 0.142 0.000 0.992 119 Q CA -0.662 55.255 55.803 0.190 0.000 0.747 119 Q CB 0.826 29.634 28.738 0.116 0.000 1.262 119 Q HN 0.849 nan 8.270 nan 0.000 0.452 120 C N 2.395 121.802 119.300 0.178 0.000 2.820 120 C HA 0.289 4.751 4.460 0.002 0.000 0.323 120 C C 0.772 175.886 174.990 0.207 0.000 1.279 120 C CA -0.142 59.027 59.018 0.251 0.000 1.790 120 C CB -0.008 27.968 27.740 0.394 0.000 2.328 120 C HN 0.831 nan 8.230 nan 0.000 0.579 121 E N 0.921 121.213 120.200 0.155 0.000 2.360 121 E HA 0.352 4.704 4.350 0.002 0.000 0.269 121 E C 0.794 177.241 176.600 -0.255 0.000 1.022 121 E CA 0.165 56.569 56.400 0.007 0.000 0.887 121 E CB 0.992 30.713 29.700 0.037 0.000 0.990 121 E HN 0.411 nan 8.360 nan 0.000 0.426 122 A N 4.612 127.174 122.820 -0.429 0.000 1.878 122 A HA -0.031 4.290 4.320 0.002 0.000 0.213 122 A C 0.892 178.350 177.584 -0.209 0.000 1.192 122 A CA 0.831 52.434 52.037 -0.723 0.000 0.619 122 A CB 0.145 18.384 19.000 -1.267 0.000 0.837 122 A HN 0.743 nan 8.150 nan 0.000 0.446 123 E N -0.860 119.294 120.200 -0.077 0.000 3.385 123 E HA 0.261 4.613 4.350 0.002 0.000 0.206 123 E C 0.855 177.592 176.600 0.227 0.000 0.997 123 E CA 0.139 56.625 56.400 0.143 0.000 1.278 123 E CB 0.635 30.399 29.700 0.107 0.000 1.165 123 E HN 0.465 nan 8.360 nan 0.000 0.452 124 G N 0.190 109.119 108.800 0.215 0.000 2.603 124 G HA2 -0.171 3.790 3.960 0.002 0.000 0.214 124 G HA3 -0.171 3.790 3.960 0.002 0.000 0.214 124 G C 1.100 176.200 174.900 0.334 0.000 1.140 124 G CA -0.142 45.092 45.100 0.223 0.000 0.800 124 G HN 0.299 nan 8.290 nan 0.000 0.533 125 F N 2.835 122.917 119.950 0.221 0.000 2.216 125 F HA -0.071 4.458 4.527 0.002 0.000 0.300 125 F C 2.784 178.666 175.800 0.137 0.000 1.085 125 F CA 1.499 59.604 58.000 0.175 0.000 1.326 125 F CB 0.092 39.184 39.000 0.154 0.000 1.027 125 F HN 0.206 nan 8.300 nan 0.000 0.497 126 R N -0.804 119.826 120.500 0.218 0.000 2.285 126 R HA -0.129 4.213 4.340 0.002 0.000 0.213 126 R C 1.246 177.430 176.300 -0.194 0.000 1.068 126 R CA 1.601 57.711 56.100 0.017 0.000 1.004 126 R CB -1.259 29.085 30.300 0.072 0.000 0.873 126 R HN 0.425 nan 8.270 nan 0.000 0.467 127 H N 0.015 119.028 119.070 -0.096 0.000 2.547 127 H HA 0.164 4.721 4.556 0.002 0.000 0.266 127 H C 1.463 176.691 175.328 -0.166 0.000 0.988 127 H CA 0.722 56.702 56.048 -0.114 0.000 1.147 127 H CB 0.390 30.126 29.762 -0.043 0.000 1.365 127 H HN 0.311 nan 8.280 nan 0.000 0.589 128 I N -0.911 119.540 120.570 -0.199 0.000 3.194 128 I HA 0.008 4.179 4.170 0.002 0.000 0.271 128 I C 0.842 176.706 176.117 -0.422 0.000 1.150 128 I CA 0.489 61.613 61.300 -0.293 0.000 1.440 128 I CB 0.894 38.658 38.000 -0.394 0.000 1.276 128 I HN -0.056 nan 8.210 nan 0.000 0.457 129 T N -1.454 112.765 114.554 -0.558 0.000 2.792 129 T HA 0.391 4.742 4.350 0.002 0.000 0.303 129 T C -1.704 172.839 174.700 -0.261 0.000 1.310 129 T CA -0.434 61.425 62.100 -0.403 0.000 1.007 129 T CB 0.837 69.491 68.868 -0.356 0.000 1.335 129 T HN -0.111 nan 8.240 nan 0.000 0.504 130 Y N 2.320 122.581 120.300 -0.065 0.000 2.496 130 Y HA 0.504 5.055 4.550 0.002 0.000 0.334 130 Y C -0.148 175.854 175.900 0.170 0.000 1.080 130 Y CA 0.433 58.544 58.100 0.018 0.000 1.355 130 Y CB 0.127 38.563 38.460 -0.040 0.000 1.193 130 Y HN 0.547 nan 8.280 nan 0.000 0.523 131 Y N 1.434 121.861 120.300 0.212 0.000 2.670 131 Y HA 0.430 4.981 4.550 0.002 0.000 0.334 131 Y C -1.265 174.754 175.900 0.199 0.000 1.185 131 Y CA -1.704 56.530 58.100 0.223 0.000 1.053 131 Y CB 1.244 39.953 38.460 0.414 0.000 1.298 131 Y HN 0.351 nan 8.280 nan 0.000 0.459 132 L N 3.624 124.575 121.223 -0.452 0.000 2.395 132 L HA 0.155 4.496 4.340 0.002 0.000 0.268 132 L C -0.331 176.605 176.870 0.110 0.000 1.223 132 L CA 0.198 54.917 54.840 -0.202 0.000 1.093 132 L CB -0.356 41.512 42.059 -0.317 0.000 1.349 132 L HN 0.475 nan 8.230 nan 0.000 0.427 133 D N 4.645 125.239 120.400 0.323 0.000 2.619 133 D HA 0.114 4.756 4.640 0.002 0.000 0.224 133 D C 0.020 176.548 176.300 0.380 0.000 1.133 133 D CA -0.190 54.087 54.000 0.462 0.000 1.017 133 D CB 0.137 41.214 40.800 0.462 0.000 1.077 133 D HN 0.444 nan 8.370 nan 0.000 0.503 134 R N 0.803 121.493 120.500 0.316 0.000 2.584 134 R HA 0.425 4.766 4.340 0.002 0.000 0.276 134 R C -2.566 173.830 176.300 0.159 0.000 1.046 134 R CA -1.438 54.802 56.100 0.232 0.000 0.906 134 R CB 1.377 31.776 30.300 0.165 0.000 1.215 134 R HN -0.196 nan 8.270 nan 0.000 0.449 135 P HA -0.088 nan 4.420 nan 0.000 0.237 135 P C -0.122 177.179 177.300 0.001 0.000 1.178 135 P CA 0.773 63.864 63.100 -0.014 0.000 0.766 135 P CB 0.201 31.643 31.700 -0.430 0.000 0.876 136 D N -0.576 119.834 120.400 0.016 0.000 2.340 136 D HA -0.005 4.637 4.640 0.002 0.000 0.220 136 D C 0.363 176.696 176.300 0.056 0.000 1.039 136 D CA -0.086 53.942 54.000 0.047 0.000 0.866 136 D CB -0.541 40.323 40.800 0.107 0.000 0.913 136 D HN -0.005 nan 8.370 nan 0.000 0.523 137 V N 1.510 121.468 119.914 0.073 0.000 2.318 137 V HA 0.239 4.360 4.120 0.002 0.000 0.271 137 V C -0.449 175.714 176.094 0.114 0.000 1.030 137 V CA -0.699 61.641 62.300 0.067 0.000 0.844 137 V CB 0.945 32.787 31.823 0.031 0.000 1.015 137 V HN 0.011 nan 8.190 nan 0.000 0.460 138 L N 5.008 126.286 121.223 0.092 0.000 2.296 138 L HA 0.872 5.213 4.340 0.002 0.000 0.286 138 L C 0.248 177.194 176.870 0.126 0.000 1.023 138 L CA 0.117 55.027 54.840 0.117 0.000 0.812 138 L CB 1.658 43.765 42.059 0.079 0.000 1.223 138 L HN 0.714 nan 8.230 nan 0.000 0.421 139 A N 3.448 126.386 122.820 0.197 0.000 2.498 139 A HA 0.822 5.143 4.320 0.002 0.000 0.298 139 A C -0.681 177.032 177.584 0.214 0.000 1.075 139 A CA -0.823 51.293 52.037 0.132 0.000 0.714 139 A CB 1.255 20.275 19.000 0.034 0.000 1.299 139 A HN 0.623 nan 8.150 nan 0.000 0.407 140 R N 0.556 121.122 120.500 0.110 0.000 2.234 140 R HA 0.448 4.790 4.340 0.002 0.000 0.324 140 R C -1.497 174.886 176.300 0.139 0.000 1.054 140 R CA 0.168 56.362 56.100 0.157 0.000 0.912 140 R CB 0.421 30.762 30.300 0.068 0.000 1.030 140 R HN 0.527 nan 8.270 nan 0.000 0.455 141 F N 0.674 120.654 119.950 0.050 0.000 2.422 141 F HA 0.332 4.861 4.527 0.002 0.000 0.333 141 F C 0.566 176.435 175.800 0.114 0.000 1.095 141 F CA -0.255 57.792 58.000 0.078 0.000 1.038 141 F CB 2.156 41.227 39.000 0.117 0.000 1.156 141 F HN 0.303 nan 8.300 nan 0.000 0.483 142 T N 1.510 116.224 114.554 0.266 0.000 2.881 142 T HA 0.477 4.828 4.350 0.002 0.000 0.291 142 T C -0.721 174.160 174.700 0.303 0.000 0.990 142 T CA -0.734 61.517 62.100 0.252 0.000 0.976 142 T CB 1.323 70.277 68.868 0.144 0.000 0.970 142 T HN 0.450 nan 8.240 nan 0.000 0.438 143 T N 3.443 118.235 114.554 0.397 0.000 2.847 143 T HA 0.445 4.797 4.350 0.002 0.000 0.291 143 T C -0.446 174.521 174.700 0.445 0.000 0.998 143 T CA -0.764 61.621 62.100 0.476 0.000 0.967 143 T CB 1.229 70.458 68.868 0.602 0.000 0.954 143 T HN 0.435 nan 8.240 nan 0.000 0.441 144 K N 4.151 124.769 120.400 0.363 0.000 2.206 144 K HA 0.647 4.969 4.320 0.002 0.000 0.264 144 K C -1.065 175.747 176.600 0.354 0.000 0.967 144 K CA -0.719 55.761 56.287 0.320 0.000 0.844 144 K CB 0.748 33.330 32.500 0.138 0.000 1.099 144 K HN 0.551 nan 8.250 nan 0.000 0.441 145 I N 5.947 126.727 120.570 0.349 0.000 2.436 145 I HA 0.371 4.542 4.170 0.002 0.000 0.289 145 I C -0.594 175.658 176.117 0.225 0.000 1.010 145 I CA -0.869 60.596 61.300 0.274 0.000 1.098 145 I CB 1.693 39.807 38.000 0.191 0.000 1.266 145 I HN 0.478 nan 8.210 nan 0.000 0.434 146 I N 5.616 126.295 120.570 0.182 0.000 2.436 146 I HA 0.834 5.005 4.170 0.002 0.000 0.289 146 I C -0.097 176.103 176.117 0.139 0.000 1.010 146 I CA -0.268 61.135 61.300 0.171 0.000 1.098 146 I CB 1.889 39.967 38.000 0.130 0.000 1.266 146 I HN 0.712 nan 8.210 nan 0.000 0.434 147 A N 3.774 126.702 122.820 0.180 0.000 2.586 147 A HA 0.450 4.771 4.320 0.002 0.000 0.290 147 A C -1.559 176.246 177.584 0.369 0.000 1.086 147 A CA -0.708 51.474 52.037 0.242 0.000 0.665 147 A CB 1.257 20.371 19.000 0.191 0.000 1.279 147 A HN 0.705 nan 8.150 nan 0.000 0.423 148 D N 0.433 121.063 120.400 0.382 0.000 2.450 148 D HA 0.148 4.790 4.640 0.002 0.000 0.247 148 D C 1.057 177.499 176.300 0.237 0.000 1.162 148 D CA 0.470 54.630 54.000 0.266 0.000 0.879 148 D CB 0.737 41.643 40.800 0.177 0.000 1.163 148 D HN 0.507 nan 8.370 nan 0.000 0.472 149 K N 3.364 123.814 120.400 0.083 0.000 2.097 149 K HA -0.092 4.229 4.320 0.002 0.000 0.205 149 K C 1.688 178.187 176.600 -0.168 0.000 1.050 149 K CA 0.814 56.972 56.287 -0.215 0.000 0.938 149 K CB 0.054 32.309 32.500 -0.409 0.000 0.718 149 K HN 0.606 nan 8.250 nan 0.000 0.442 150 I N 0.739 121.241 120.570 -0.113 0.000 2.202 150 I HA -0.259 3.912 4.170 0.002 0.000 0.242 150 I C 2.502 178.521 176.117 -0.165 0.000 1.091 150 I CA 1.184 62.410 61.300 -0.123 0.000 1.368 150 I CB -0.131 37.811 38.000 -0.096 0.000 1.058 150 I HN 0.148 nan 8.210 nan 0.000 0.410 151 K N 0.300 120.556 120.400 -0.240 0.000 2.103 151 K HA -0.112 4.209 4.320 0.002 0.000 0.204 151 K C -0.108 176.124 176.600 -0.612 0.000 1.052 151 K CA 1.201 57.169 56.287 -0.531 0.000 0.945 151 K CB 0.225 32.234 32.500 -0.818 0.000 0.722 151 K HN 0.201 nan 8.250 nan 0.000 0.443 152 Y N 0.084 120.411 120.300 0.046 0.000 2.562 152 Y HA 0.260 4.811 4.550 0.002 0.000 0.363 152 Y C -2.117 173.892 175.900 0.183 0.000 0.991 152 Y CA -2.523 55.642 58.100 0.110 0.000 1.121 152 Y CB 1.237 39.779 38.460 0.137 0.000 1.159 152 Y HN 0.113 nan 8.280 nan 0.000 0.651 153 P HA -0.108 nan 4.420 nan 0.000 0.221 153 P C -0.181 177.081 177.300 -0.065 0.000 1.150 153 P CA 1.100 64.161 63.100 -0.065 0.000 0.800 153 P CB 0.260 31.810 31.700 -0.250 0.000 0.787 154 F N 0.463 120.606 119.950 0.321 0.000 2.411 154 F HA 0.389 4.917 4.527 0.002 0.000 0.352 154 F C 0.576 176.544 175.800 0.281 0.000 1.123 154 F CA -0.773 57.432 58.000 0.342 0.000 1.044 154 F CB 1.171 40.439 39.000 0.447 0.000 1.135 154 F HN -0.339 nan 8.300 nan 0.000 0.461 155 L N 5.827 127.280 121.223 0.382 0.000 2.372 155 L HA 0.558 4.899 4.340 0.002 0.000 0.273 155 L C -0.994 176.066 176.870 0.317 0.000 0.989 155 L CA -0.418 54.573 54.840 0.251 0.000 0.841 155 L CB 1.384 43.542 42.059 0.166 0.000 1.225 155 L HN 0.506 nan 8.230 nan 0.000 0.414 156 L N 2.140 123.329 121.223 -0.057 0.000 2.365 156 L HA 0.747 5.088 4.340 0.002 0.000 0.273 156 L C -0.081 176.203 176.870 -0.977 0.000 1.000 156 L CA -0.275 54.223 54.840 -0.570 0.000 0.819 156 L CB 2.110 43.805 42.059 -0.606 0.000 1.284 156 L HN 0.577 nan 8.230 nan 0.000 0.418 157 S N 0.880 115.461 115.700 -1.865 0.000 2.776 157 S HA 0.478 4.950 4.470 0.002 0.000 0.292 157 S C -1.049 172.921 174.600 -1.050 0.000 1.187 157 S CA -0.802 56.695 58.200 -1.171 0.000 0.834 157 S CB 1.481 64.302 63.200 -0.632 0.000 1.199 157 S HN 0.714 nan 8.310 nan 0.000 0.514 158 N N 0.985 119.338 118.700 -0.577 0.000 2.454 158 N HA 0.493 5.234 4.740 0.002 0.000 0.254 158 N C 0.715 176.202 175.510 -0.040 0.000 1.228 158 N CA 1.248 54.101 53.050 -0.328 0.000 0.900 158 N CB 0.395 38.723 38.487 -0.265 0.000 1.089 158 N HN 1.060 nan 8.380 nan 0.000 0.449 159 G N 1.241 110.072 108.800 0.052 0.000 2.513 159 G HA2 -0.231 3.730 3.960 0.002 0.000 0.227 159 G HA3 -0.231 3.730 3.960 0.002 0.000 0.227 159 G C -1.030 174.143 174.900 0.456 0.000 1.176 159 G CA -0.619 44.621 45.100 0.233 0.000 0.967 159 G HN 0.620 nan 8.290 nan 0.000 0.587 160 N N 0.654 119.605 118.700 0.417 0.000 2.335 160 N HA 0.522 5.263 4.740 0.002 0.000 0.304 160 N C -0.192 175.307 175.510 -0.018 0.000 1.135 160 N CA -0.680 52.524 53.050 0.257 0.000 0.817 160 N CB 1.625 40.185 38.487 0.122 0.000 1.294 160 N HN 0.578 nan 8.380 nan 0.000 0.497 161 R N 0.723 120.933 120.500 -0.484 0.000 2.370 161 R HA 0.122 4.463 4.340 0.002 0.000 0.309 161 R C 1.193 177.304 176.300 -0.315 0.000 1.059 161 R CA -0.135 55.514 56.100 -0.752 0.000 0.981 161 R CB 0.522 30.353 30.300 -0.782 0.000 0.972 161 R HN 0.463 nan 8.270 nan 0.000 0.437 162 V N -0.660 119.120 119.914 -0.223 0.000 3.635 162 V HA 0.511 4.632 4.120 0.002 0.000 0.266 162 V C 0.361 176.421 176.094 -0.057 0.000 1.316 162 V CA 0.468 62.717 62.300 -0.085 0.000 1.060 162 V CB 0.438 32.259 31.823 -0.004 0.000 0.820 162 V HN 0.669 nan 8.190 nan 0.000 0.447 163 A N 0.815 123.584 122.820 -0.085 0.000 2.612 163 A HA 0.817 5.138 4.320 0.002 0.000 0.293 163 A C -1.350 176.049 177.584 -0.309 0.000 1.075 163 A CA -0.413 51.591 52.037 -0.055 0.000 0.680 163 A CB 1.625 20.778 19.000 0.255 0.000 1.279 163 A HN 0.662 nan 8.150 nan 0.000 0.411 164 Q N 0.457 119.867 119.800 -0.651 0.000 2.472 164 Q HA 0.703 5.044 4.340 0.002 0.000 0.281 164 Q C -0.454 174.741 176.000 -1.342 0.000 0.997 164 Q CA -0.648 54.517 55.803 -1.065 0.000 0.828 164 Q CB 1.859 30.270 28.738 -0.545 0.000 1.443 164 Q HN 1.898 nan 8.270 nan 0.000 0.390 165 G N 0.731 108.477 108.800 -1.757 0.000 2.660 165 G HA2 0.536 4.497 3.960 0.002 0.000 0.290 165 G HA3 0.536 4.497 3.960 0.002 0.000 0.290 165 G C -1.620 172.959 174.900 -0.536 0.000 1.432 165 G CA -0.625 43.879 45.100 -0.994 0.000 0.807 165 G HN 0.497 nan 8.290 nan 0.000 0.485 166 E N -0.504 119.637 120.200 -0.098 0.000 2.244 166 E HA 0.667 5.019 4.350 0.002 0.000 0.266 166 E C -0.758 175.949 176.600 0.178 0.000 0.914 166 E CA -0.632 55.807 56.400 0.066 0.000 0.794 166 E CB 2.715 32.431 29.700 0.027 0.000 1.210 166 E HN 0.308 nan 8.360 nan 0.000 0.414 167 L N 0.406 121.747 121.223 0.196 0.000 2.257 167 L HA 0.356 4.698 4.340 0.002 0.000 0.257 167 L C 0.377 177.316 176.870 0.116 0.000 1.033 167 L CA -1.093 53.854 54.840 0.179 0.000 0.835 167 L CB 1.400 43.588 42.059 0.215 0.000 1.398 167 L HN 0.589 nan 8.230 nan 0.000 0.429 168 E N -0.378 119.877 120.200 0.092 0.000 2.409 168 E HA 0.080 4.431 4.350 0.002 0.000 0.257 168 E C -0.596 176.044 176.600 0.067 0.000 1.150 168 E CA -0.487 55.953 56.400 0.066 0.000 0.942 168 E CB 0.149 29.880 29.700 0.052 0.000 0.979 168 E HN 0.581 nan 8.360 nan 0.000 0.447 169 N N 0.422 119.152 118.700 0.050 0.000 2.754 169 N HA -0.193 4.548 4.740 0.002 0.000 0.248 169 N C 0.605 176.147 175.510 0.053 0.000 1.093 169 N CA 1.301 54.379 53.050 0.046 0.000 0.699 169 N CB -1.693 36.822 38.487 0.048 0.000 1.016 169 N HN 1.048 nan 8.380 nan 0.000 0.552 170 G N -0.775 108.054 108.800 0.049 0.000 2.160 170 G HA2 -0.367 3.594 3.960 0.002 0.000 0.251 170 G HA3 -0.367 3.594 3.960 0.002 0.000 0.251 170 G C 0.081 175.026 174.900 0.076 0.000 1.008 170 G CA 0.714 45.838 45.100 0.040 0.000 0.724 170 G HN 0.612 nan 8.290 nan 0.000 0.514 171 R N -0.282 120.292 120.500 0.124 0.000 2.604 171 R HA 0.702 5.044 4.340 0.002 0.000 0.287 171 R C 0.365 176.838 176.300 0.288 0.000 0.970 171 R CA -0.340 55.885 56.100 0.208 0.000 0.946 171 R CB 1.171 31.584 30.300 0.189 0.000 1.127 171 R HN 0.770 nan 8.270 nan 0.000 0.473 172 H N -0.763 118.395 119.070 0.147 0.000 2.941 172 H HA 0.656 5.214 4.556 0.002 0.000 0.344 172 H C -1.357 174.121 175.328 0.250 0.000 1.235 172 H CA -1.114 55.010 56.048 0.127 0.000 1.149 172 H CB 1.932 31.698 29.762 0.007 0.000 1.885 172 H HN 0.689 nan 8.280 nan 0.000 0.558 173 W N 1.028 122.239 121.300 -0.148 0.000 3.167 173 W HA 0.580 5.241 4.660 0.002 0.000 0.324 173 W C -2.055 174.374 176.519 -0.150 0.000 1.230 173 W CA -1.109 56.133 57.345 -0.171 0.000 1.184 173 W CB 0.954 30.392 29.460 -0.036 0.000 1.414 173 W HN 0.712 nan 8.180 nan 0.000 0.551 174 V N -0.510 119.503 119.914 0.166 0.000 3.078 174 V HA 0.678 4.799 4.120 0.002 0.000 0.311 174 V C -1.179 175.105 176.094 0.316 0.000 1.138 174 V CA -0.978 61.346 62.300 0.039 0.000 1.007 174 V CB 1.781 33.572 31.823 -0.054 0.000 1.045 174 V HN 0.808 nan 8.190 nan 0.000 0.432 175 Q N 1.377 121.266 119.800 0.148 0.000 2.323 175 Q HA 0.560 4.901 4.340 0.002 0.000 0.271 175 Q C -2.233 173.744 176.000 -0.039 0.000 1.048 175 Q CA -0.510 55.426 55.803 0.221 0.000 0.792 175 Q CB 2.471 31.405 28.738 0.325 0.000 1.280 175 Q HN 0.846 nan 8.270 nan 0.000 0.441 176 W N 1.897 123.286 121.300 0.148 0.000 2.689 176 W HA 0.511 5.172 4.660 0.002 0.000 0.340 176 W C -0.501 176.091 176.519 0.122 0.000 1.060 176 W CA -0.380 57.031 57.345 0.111 0.000 1.218 176 W CB 1.927 31.438 29.460 0.085 0.000 1.410 176 W HN 0.475 nan 8.180 nan 0.000 0.528 177 Q N 1.651 121.645 119.800 0.323 0.000 2.331 177 Q HA 0.219 4.561 4.340 0.002 0.000 0.272 177 Q C -1.676 174.451 176.000 0.213 0.000 1.062 177 Q CA -0.894 55.051 55.803 0.236 0.000 0.806 177 Q CB 2.871 31.695 28.738 0.144 0.000 1.312 177 Q HN 0.276 nan 8.270 nan 0.000 0.431 178 D N 3.101 123.616 120.400 0.192 0.000 2.440 178 D HA 0.251 4.893 4.640 0.002 0.000 0.239 178 D C -1.853 174.508 176.300 0.100 0.000 1.084 178 D CA -2.195 51.895 54.000 0.150 0.000 0.843 178 D CB 1.708 42.584 40.800 0.127 0.000 1.097 178 D HN 0.190 nan 8.370 nan 0.000 0.531 179 P HA -0.005 nan 4.420 nan 0.000 0.223 179 P C 0.192 177.352 177.300 -0.232 0.000 1.151 179 P CA 0.219 63.224 63.100 -0.158 0.000 0.787 179 P CB 0.063 31.567 31.700 -0.327 0.000 0.788 180 F N 2.000 121.934 119.950 -0.026 0.000 2.445 180 F HA 0.321 4.849 4.527 0.002 0.000 0.359 180 F C -1.711 174.081 175.800 -0.013 0.000 1.101 180 F CA -2.557 55.412 58.000 -0.051 0.000 1.177 180 F CB -0.310 38.616 39.000 -0.122 0.000 1.110 180 F HN -0.193 nan 8.300 nan 0.000 0.522 181 P HA 0.054 nan 4.420 nan 0.000 0.264 181 P C -1.075 176.296 177.300 0.118 0.000 1.183 181 P CA -0.060 63.126 63.100 0.143 0.000 0.763 181 P CB 0.407 32.169 31.700 0.102 0.000 0.807 182 K N 2.881 123.359 120.400 0.129 0.000 2.508 182 K HA 0.644 4.965 4.320 0.002 0.000 0.260 182 K C -3.152 173.482 176.600 0.057 0.000 0.949 182 K CA -2.509 53.778 56.287 -0.000 0.000 0.834 182 K CB 1.852 34.249 32.500 -0.172 0.000 1.365 182 K HN 0.082 nan 8.250 nan 0.000 0.437 183 P HA 0.001 nan 4.420 nan 0.000 0.274 183 P C 1.033 178.289 177.300 -0.073 0.000 1.231 183 P CA -0.547 62.576 63.100 0.039 0.000 0.790 183 P CB 0.774 32.517 31.700 0.072 0.000 0.951 184 C N 0.696 120.033 119.300 0.062 0.000 2.437 184 C HA -0.118 4.343 4.460 0.002 0.000 0.283 184 C C 2.620 177.556 174.990 -0.089 0.000 1.424 184 C CA 0.399 59.273 59.018 -0.240 0.000 1.782 184 C CB -2.622 24.737 27.740 -0.635 0.000 1.833 184 C HN 0.644 nan 8.230 nan 0.000 0.532 185 Y N 1.195 121.571 120.300 0.126 0.000 2.483 185 Y HA 0.154 4.706 4.550 0.002 0.000 0.291 185 Y C 1.794 177.751 175.900 0.094 0.000 1.143 185 Y CA 0.890 59.114 58.100 0.207 0.000 1.289 185 Y CB -0.808 37.907 38.460 0.425 0.000 0.983 185 Y HN 0.289 nan 8.280 nan 0.000 0.556 186 L N -0.385 120.537 121.223 -0.502 0.000 2.592 186 L HA 0.131 4.473 4.340 0.002 0.000 0.227 186 L C 0.362 177.019 176.870 -0.356 0.000 1.127 186 L CA -0.435 54.123 54.840 -0.471 0.000 0.884 186 L CB -0.223 41.461 42.059 -0.625 0.000 1.065 186 L HN 0.194 nan 8.230 nan 0.000 0.457 187 F N 1.789 121.455 119.950 -0.474 0.000 2.529 187 F HA 0.419 4.947 4.527 0.002 0.000 0.365 187 F C 0.389 176.061 175.800 -0.213 0.000 1.102 187 F CA -0.691 57.034 58.000 -0.457 0.000 1.271 187 F CB 0.457 39.209 39.000 -0.414 0.000 1.120 187 F HN -0.109 nan 8.300 nan 0.000 0.579 188 A N 7.031 129.072 122.820 -1.298 0.000 2.515 188 A HA 0.744 5.065 4.320 0.002 0.000 0.298 188 A C -2.059 174.764 177.584 -1.267 0.000 1.059 188 A CA -0.763 50.679 52.037 -0.993 0.000 0.698 188 A CB 1.520 20.183 19.000 -0.561 0.000 1.289 188 A HN 1.008 nan 8.150 nan 0.000 0.404 189 L N 1.857 122.594 121.223 -0.809 0.000 2.455 189 L HA 0.844 5.185 4.340 0.002 0.000 0.264 189 L C -1.814 174.791 176.870 -0.441 0.000 0.968 189 L CA -0.646 53.811 54.840 -0.638 0.000 0.827 189 L CB 2.121 43.821 42.059 -0.598 0.000 1.317 189 L HN 0.549 nan 8.230 nan 0.000 0.407 190 V N 3.496 123.176 119.914 -0.390 0.000 2.760 190 V HA 0.906 5.027 4.120 0.002 0.000 0.309 190 V C -0.523 175.507 176.094 -0.108 0.000 1.077 190 V CA -0.287 61.866 62.300 -0.246 0.000 0.910 190 V CB 1.773 33.413 31.823 -0.306 0.000 1.008 190 V HN 0.884 nan 8.190 nan 0.000 0.424 191 A N 2.767 125.594 122.820 0.011 0.000 2.398 191 A HA 1.046 5.367 4.320 0.002 0.000 0.301 191 A C -0.070 177.726 177.584 0.354 0.000 1.041 191 A CA 0.134 52.249 52.037 0.130 0.000 0.711 191 A CB 1.867 20.755 19.000 -0.187 0.000 1.240 191 A HN 1.742 nan 8.150 nan 0.000 0.420 192 G N 0.405 109.467 108.800 0.436 0.000 2.317 192 G HA2 0.457 4.418 3.960 0.002 0.000 0.293 192 G HA3 0.457 4.418 3.960 0.002 0.000 0.293 192 G C -2.196 172.604 174.900 -0.166 0.000 1.287 192 G CA -0.270 44.853 45.100 0.039 0.000 0.850 192 G HN 0.819 nan 8.290 nan 0.000 0.515 193 D N -0.577 119.509 120.400 -0.522 0.000 2.308 193 D HA 0.735 5.376 4.640 0.002 0.000 0.242 193 D C -1.041 174.921 176.300 -0.563 0.000 1.059 193 D CA -0.189 53.684 54.000 -0.212 0.000 0.830 193 D CB 0.886 41.627 40.800 -0.099 0.000 1.161 193 D HN 0.226 nan 8.370 nan 0.000 0.494 194 F N 1.102 121.165 119.950 0.189 0.000 2.599 194 F HA 0.332 4.861 4.527 0.002 0.000 0.311 194 F C 0.269 176.033 175.800 -0.060 0.000 1.076 194 F CA -1.092 56.898 58.000 -0.017 0.000 0.937 194 F CB 1.500 40.432 39.000 -0.113 0.000 1.282 194 F HN 0.097 nan 8.300 nan 0.000 0.460 195 D N 1.196 121.678 120.400 0.137 0.000 2.304 195 D HA 0.517 5.158 4.640 0.002 0.000 0.247 195 D C -0.787 175.445 176.300 -0.114 0.000 1.089 195 D CA 0.215 54.230 54.000 0.026 0.000 0.910 195 D CB 1.874 42.688 40.800 0.022 0.000 1.199 195 D HN 0.160 nan 8.370 nan 0.000 0.426 196 V N 2.742 122.535 119.914 -0.200 0.000 2.525 196 V HA 0.223 4.344 4.120 0.002 0.000 0.299 196 V C -0.385 175.552 176.094 -0.262 0.000 1.034 196 V CA -0.956 61.095 62.300 -0.414 0.000 0.863 196 V CB 1.830 33.275 31.823 -0.630 0.000 0.999 196 V HN 0.294 nan 8.190 nan 0.000 0.423 197 L N 6.194 127.260 121.223 -0.261 0.000 2.265 197 L HA 0.619 4.960 4.340 0.002 0.000 0.288 197 L C 0.075 176.838 176.870 -0.178 0.000 1.058 197 L CA 0.232 54.970 54.840 -0.170 0.000 0.809 197 L CB 0.702 42.680 42.059 -0.134 0.000 1.179 197 L HN 0.623 nan 8.230 nan 0.000 0.429 198 R N 3.878 124.307 120.500 -0.117 0.000 2.562 198 R HA 0.610 4.951 4.340 0.002 0.000 0.298 198 R C -1.164 175.106 176.300 -0.049 0.000 0.961 198 R CA -0.807 55.242 56.100 -0.085 0.000 0.881 198 R CB 1.771 32.038 30.300 -0.056 0.000 1.159 198 R HN 0.610 nan 8.270 nan 0.000 0.450 199 D N 0.130 120.510 120.400 -0.034 0.000 2.759 199 D HA 0.446 5.087 4.640 0.002 0.000 0.321 199 D C -1.237 175.071 176.300 0.013 0.000 1.267 199 D CA -0.245 53.746 54.000 -0.015 0.000 0.933 199 D CB 2.592 43.373 40.800 -0.031 0.000 1.431 199 D HN 0.395 nan 8.370 nan 0.000 0.504 200 T N 0.512 115.084 114.554 0.031 0.000 2.933 200 T HA 0.527 4.879 4.350 0.002 0.000 0.305 200 T C -1.265 173.502 174.700 0.111 0.000 1.092 200 T CA -0.482 61.655 62.100 0.062 0.000 1.008 200 T CB 1.082 69.971 68.868 0.035 0.000 1.102 200 T HN 0.257 nan 8.240 nan 0.000 0.469 201 F N 1.920 121.855 119.950 -0.025 0.000 2.529 201 F HA 0.583 5.111 4.527 0.002 0.000 0.320 201 F C -0.419 175.392 175.800 0.017 0.000 1.118 201 F CA -0.369 57.613 58.000 -0.030 0.000 0.915 201 F CB 1.787 40.737 39.000 -0.084 0.000 1.161 201 F HN 0.460 nan 8.300 nan 0.000 0.445 202 T N 4.233 118.425 114.554 -0.603 0.000 2.756 202 T HA 0.320 4.671 4.350 0.002 0.000 0.290 202 T C 0.128 174.510 174.700 -0.530 0.000 0.985 202 T CA -0.533 61.350 62.100 -0.362 0.000 0.955 202 T CB 0.802 69.526 68.868 -0.241 0.000 0.930 202 T HN 0.757 nan 8.240 nan 0.000 0.451 203 T N 0.696 115.209 114.554 -0.068 0.000 2.748 203 T HA 0.130 4.482 4.350 0.002 0.000 0.304 203 T C 1.612 176.325 174.700 0.022 0.000 1.041 203 T CA -0.666 61.508 62.100 0.124 0.000 1.033 203 T CB 0.611 69.645 68.868 0.276 0.000 0.995 203 T HN 0.720 nan 8.240 nan 0.000 0.536 204 R N 0.436 120.986 120.500 0.084 0.000 2.189 204 R HA -0.049 4.292 4.340 0.002 0.000 0.223 204 R C 1.955 178.276 176.300 0.034 0.000 1.092 204 R CA 1.537 57.661 56.100 0.040 0.000 0.989 204 R CB -0.616 29.721 30.300 0.061 0.000 0.876 204 R HN 0.674 nan 8.270 nan 0.000 0.457 205 S N -1.111 114.623 115.700 0.057 0.000 2.575 205 S HA 0.266 4.737 4.470 0.002 0.000 0.215 205 S C 1.276 175.901 174.600 0.041 0.000 0.966 205 S CA -0.002 58.227 58.200 0.048 0.000 0.911 205 S CB 0.683 63.920 63.200 0.063 0.000 0.780 205 S HN 0.659 nan 8.310 nan 0.000 0.514 206 G N 1.287 110.107 108.800 0.033 0.000 2.163 206 G HA2 -0.237 3.725 3.960 0.002 0.000 0.213 206 G HA3 -0.237 3.725 3.960 0.002 0.000 0.213 206 G C 0.020 174.944 174.900 0.041 0.000 0.991 206 G CA -0.233 44.879 45.100 0.019 0.000 0.653 206 G HN 0.635 nan 8.290 nan 0.000 0.518 207 R N 1.185 121.732 120.500 0.078 0.000 2.370 207 R HA 0.376 4.717 4.340 0.002 0.000 0.309 207 R C 0.159 176.530 176.300 0.118 0.000 1.059 207 R CA -0.170 55.997 56.100 0.111 0.000 0.981 207 R CB 0.278 30.672 30.300 0.157 0.000 0.972 207 R HN 0.423 nan 8.270 nan 0.000 0.437 208 E N 3.632 123.893 120.200 0.101 0.000 2.259 208 E HA 0.161 4.512 4.350 0.002 0.000 0.281 208 E C -1.173 175.526 176.600 0.166 0.000 1.037 208 E CA -0.554 55.906 56.400 0.101 0.000 0.854 208 E CB 1.096 30.835 29.700 0.066 0.000 1.051 208 E HN 0.293 nan 8.360 nan 0.000 0.409 209 V N 3.591 123.629 119.914 0.207 0.000 2.448 209 V HA 0.436 4.557 4.120 0.002 0.000 0.295 209 V C 0.038 176.245 176.094 0.187 0.000 1.025 209 V CA -0.905 61.551 62.300 0.261 0.000 0.859 209 V CB 1.342 33.381 31.823 0.360 0.000 0.988 209 V HN 0.820 nan 8.190 nan 0.000 0.431 210 A N 6.606 129.531 122.820 0.176 0.000 2.404 210 A HA 0.678 4.999 4.320 0.002 0.000 0.273 210 A C -0.352 177.306 177.584 0.123 0.000 1.144 210 A CA -0.140 51.975 52.037 0.131 0.000 0.806 210 A CB -0.081 18.999 19.000 0.132 0.000 1.080 210 A HN 0.820 nan 8.150 nan 0.000 0.509 211 L N 2.752 124.014 121.223 0.065 0.000 2.296 211 L HA 0.507 4.848 4.340 0.002 0.000 0.286 211 L C -0.087 176.776 176.870 -0.011 0.000 1.023 211 L CA -0.151 54.701 54.840 0.021 0.000 0.812 211 L CB 1.373 43.400 42.059 -0.054 0.000 1.223 211 L HN 0.738 nan 8.230 nan 0.000 0.421 212 E N 3.774 123.971 120.200 -0.005 0.000 2.265 212 E HA 0.379 4.730 4.350 0.002 0.000 0.262 212 E C -1.495 175.010 176.600 -0.159 0.000 0.889 212 E CA -0.747 55.584 56.400 -0.115 0.000 0.789 212 E CB 2.950 32.630 29.700 -0.033 0.000 1.221 212 E HN 0.225 nan 8.360 nan 0.000 0.414 213 L N 4.034 125.082 121.223 -0.292 0.000 2.294 213 L HA 0.396 4.738 4.340 0.002 0.000 0.283 213 L C -1.745 174.891 176.870 -0.391 0.000 1.015 213 L CA -0.542 54.145 54.840 -0.255 0.000 0.831 213 L CB 0.164 42.091 42.059 -0.221 0.000 1.217 213 L HN 0.427 nan 8.230 nan 0.000 0.420 214 Y N 5.019 125.127 120.300 -0.321 0.000 2.341 214 Y HA 0.598 5.150 4.550 0.002 0.000 0.340 214 Y C 0.372 176.080 175.900 -0.320 0.000 0.997 214 Y CA -0.487 57.352 58.100 -0.434 0.000 1.149 214 Y CB 1.498 39.454 38.460 -0.840 0.000 1.171 214 Y HN 0.523 nan 8.280 nan 0.000 0.494 215 V N -0.889 119.019 119.914 -0.009 0.000 3.102 215 V HA 0.561 4.682 4.120 0.002 0.000 0.312 215 V C -0.544 175.704 176.094 0.256 0.000 1.135 215 V CA -1.283 61.068 62.300 0.085 0.000 1.022 215 V CB 1.959 33.787 31.823 0.008 0.000 1.056 215 V HN 0.478 nan 8.190 nan 0.000 0.436 216 D N 1.975 122.509 120.400 0.224 0.000 2.449 216 D HA 0.163 4.804 4.640 0.002 0.000 0.236 216 D C 0.401 176.764 176.300 0.105 0.000 1.149 216 D CA 0.193 54.299 54.000 0.177 0.000 0.878 216 D CB 0.391 41.263 40.800 0.120 0.000 1.198 216 D HN 0.442 nan 8.370 nan 0.000 0.446 217 R N 0.969 121.510 120.500 0.069 0.000 2.537 217 R HA 0.219 4.560 4.340 0.002 0.000 0.281 217 R C 1.313 177.635 176.300 0.036 0.000 0.988 217 R CA 0.793 56.921 56.100 0.047 0.000 1.077 217 R CB -0.347 29.969 30.300 0.027 0.000 0.932 217 R HN 0.807 nan 8.270 nan 0.000 0.409 218 G N 2.682 111.500 108.800 0.030 0.000 2.194 218 G HA2 -0.309 3.652 3.960 0.002 0.000 0.236 218 G HA3 -0.309 3.652 3.960 0.002 0.000 0.236 218 G C 0.593 175.505 174.900 0.020 0.000 0.987 218 G CA 0.269 45.382 45.100 0.021 0.000 0.635 218 G HN 0.669 nan 8.290 nan 0.000 0.520 219 N N -0.091 118.623 118.700 0.024 0.000 2.230 219 N HA 0.371 5.112 4.740 0.002 0.000 0.202 219 N C 2.006 177.518 175.510 0.004 0.000 1.119 219 N CA -0.241 52.818 53.050 0.016 0.000 0.851 219 N CB 0.128 38.628 38.487 0.021 0.000 0.990 219 N HN 0.369 nan 8.380 nan 0.000 0.497 220 L N 1.198 122.422 121.223 0.002 0.000 2.127 220 L HA -0.212 4.129 4.340 0.002 0.000 0.211 220 L C 1.917 178.786 176.870 -0.002 0.000 1.089 220 L CA 1.083 55.917 54.840 -0.010 0.000 0.757 220 L CB -0.354 41.699 42.059 -0.011 0.000 0.899 220 L HN 0.371 nan 8.230 nan 0.000 0.434 221 D N -0.206 120.199 120.400 0.008 0.000 2.350 221 D HA -0.211 4.430 4.640 0.002 0.000 0.216 221 D C 1.661 177.975 176.300 0.023 0.000 0.968 221 D CA 0.965 54.976 54.000 0.017 0.000 0.894 221 D CB -0.177 40.635 40.800 0.020 0.000 0.909 221 D HN 0.314 nan 8.370 nan 0.000 0.520 222 R N -0.421 120.086 120.500 0.011 0.000 2.468 222 R HA 0.440 4.781 4.340 0.002 0.000 0.280 222 R C 1.302 177.606 176.300 0.007 0.000 0.963 222 R CA 0.374 56.478 56.100 0.006 0.000 1.083 222 R CB 0.762 31.052 30.300 -0.016 0.000 1.200 222 R HN 0.185 nan 8.270 nan 0.000 0.541 223 A N 1.583 124.405 122.820 0.003 0.000 2.014 223 A HA 0.162 4.483 4.320 0.002 0.000 0.210 223 A C -0.822 176.760 177.584 -0.003 0.000 1.188 223 A CA 0.194 52.217 52.037 -0.024 0.000 0.731 223 A CB -0.480 18.485 19.000 -0.058 0.000 0.858 223 A HN 0.034 nan 8.150 nan 0.000 0.464 224 P HA -0.208 nan 4.420 nan 0.000 0.216 224 P C 1.517 178.890 177.300 0.121 0.000 1.150 224 P CA 1.119 64.256 63.100 0.062 0.000 0.843 224 P CB -0.224 31.529 31.700 0.088 0.000 0.787 225 W N 0.678 121.983 121.300 0.008 0.000 2.358 225 W HA -0.159 4.503 4.660 0.002 0.000 0.303 225 W C 1.927 178.438 176.519 -0.014 0.000 1.208 225 W CA 1.332 58.704 57.345 0.044 0.000 1.274 225 W CB -0.459 29.080 29.460 0.132 0.000 1.138 225 W HN -0.083 nan 8.180 nan 0.000 0.515 226 A N 0.956 123.670 122.820 -0.178 0.000 1.902 226 A HA -0.278 4.043 4.320 0.002 0.000 0.217 226 A C 1.874 179.237 177.584 -0.369 0.000 1.181 226 A CA 2.187 54.022 52.037 -0.337 0.000 0.623 226 A CB -1.009 17.848 19.000 -0.239 0.000 0.818 226 A HN 0.386 nan 8.150 nan 0.000 0.443 227 M N -0.025 119.420 119.600 -0.257 0.000 2.086 227 M HA -0.098 4.384 4.480 0.002 0.000 0.261 227 M C 2.012 178.156 176.300 -0.261 0.000 1.067 227 M CA 2.494 57.651 55.300 -0.238 0.000 1.116 227 M CB -1.063 31.448 32.600 -0.149 0.000 1.348 227 M HN 0.357 nan 8.290 nan 0.000 0.407 228 T N -0.134 114.272 114.554 -0.246 0.000 2.720 228 T HA -0.120 4.231 4.350 0.002 0.000 0.268 228 T C 1.906 176.370 174.700 -0.394 0.000 1.037 228 T CA 1.875 63.827 62.100 -0.247 0.000 1.144 228 T CB -0.430 68.348 68.868 -0.150 0.000 0.864 228 T HN 0.447 nan 8.240 nan 0.000 0.444 229 S N 1.080 116.397 115.700 -0.638 0.000 2.383 229 S HA -0.003 4.468 4.470 0.002 0.000 0.227 229 S C 1.904 176.262 174.600 -0.403 0.000 1.026 229 S CA 0.503 58.358 58.200 -0.575 0.000 0.981 229 S CB -0.423 62.330 63.200 -0.746 0.000 0.818 229 S HN 0.262 nan 8.310 nan 0.000 0.472 230 L N 2.146 123.091 121.223 -0.464 0.000 2.017 230 L HA -0.067 4.274 4.340 0.002 0.000 0.208 230 L C 1.944 178.421 176.870 -0.654 0.000 1.073 230 L CA 1.850 56.337 54.840 -0.588 0.000 0.745 230 L CB -0.566 41.144 42.059 -0.583 0.000 0.894 230 L HN 0.111 nan 8.230 nan 0.000 0.432 231 K N -0.608 119.516 120.400 -0.461 0.000 2.057 231 K HA -0.148 4.173 4.320 0.002 0.000 0.207 231 K C 1.908 178.335 176.600 -0.289 0.000 1.049 231 K CA 1.392 57.446 56.287 -0.388 0.000 0.931 231 K CB -0.354 32.103 32.500 -0.072 0.000 0.714 231 K HN 0.376 nan 8.250 nan 0.000 0.440 232 N N 0.832 119.443 118.700 -0.149 0.000 2.104 232 N HA -0.154 4.588 4.740 0.002 0.000 0.190 232 N C 1.925 177.505 175.510 0.116 0.000 1.024 232 N CA 1.869 54.959 53.050 0.066 0.000 0.853 232 N CB -0.407 38.158 38.487 0.132 0.000 1.008 232 N HN 0.242 nan 8.380 nan 0.000 0.424 233 S N 0.086 115.644 115.700 -0.236 0.000 2.406 233 S HA -0.009 4.463 4.470 0.002 0.000 0.228 233 S C 2.031 176.405 174.600 -0.377 0.000 1.020 233 S CA 0.600 58.473 58.200 -0.546 0.000 0.965 233 S CB -0.236 62.365 63.200 -0.999 0.000 0.798 233 S HN 0.190 nan 8.310 nan 0.000 0.488 234 M N 1.002 120.094 119.600 -0.846 0.000 2.099 234 M HA 0.000 4.482 4.480 0.002 0.000 0.262 234 M C 2.477 178.623 176.300 -0.256 0.000 1.067 234 M CA 1.756 56.506 55.300 -0.917 0.000 1.124 234 M CB -0.373 31.186 32.600 -1.734 0.000 1.353 234 M HN 0.246 nan 8.290 nan 0.000 0.410 235 K N -0.072 120.264 120.400 -0.106 0.000 2.057 235 K HA -0.211 4.111 4.320 0.002 0.000 0.207 235 K C 1.640 178.408 176.600 0.279 0.000 1.049 235 K CA 1.670 58.114 56.287 0.261 0.000 0.931 235 K CB -0.569 32.121 32.500 0.318 0.000 0.714 235 K HN 0.458 nan 8.250 nan 0.000 0.440 236 W N 1.276 122.667 121.300 0.151 0.000 2.381 236 W HA -0.140 4.522 4.660 0.002 0.000 0.301 236 W C 1.587 178.219 176.519 0.188 0.000 1.205 236 W CA 1.767 59.242 57.345 0.216 0.000 1.285 236 W CB -0.369 29.330 29.460 0.399 0.000 1.133 236 W HN 0.172 nan 8.180 nan 0.000 0.521 237 D N 0.208 120.820 120.400 0.353 0.000 2.178 237 D HA -0.190 4.452 4.640 0.002 0.000 0.201 237 D C 1.881 178.195 176.300 0.023 0.000 0.980 237 D CA 1.569 55.649 54.000 0.133 0.000 0.842 237 D CB -0.175 40.908 40.800 0.472 0.000 0.948 237 D HN 0.377 nan 8.370 nan 0.000 0.472 238 E N 0.175 120.433 120.200 0.096 0.000 2.031 238 E HA -0.165 4.186 4.350 0.002 0.000 0.193 238 E C 2.105 178.687 176.600 -0.030 0.000 0.994 238 E CA 0.897 57.337 56.400 0.066 0.000 0.800 238 E CB -0.039 29.753 29.700 0.153 0.000 0.752 238 E HN 0.423 nan 8.360 nan 0.000 0.447 239 E N 0.218 120.383 120.200 -0.060 0.000 2.047 239 E HA -0.196 4.155 4.350 0.002 0.000 0.191 239 E C 2.203 178.660 176.600 -0.239 0.000 0.987 239 E CA 0.919 57.255 56.400 -0.107 0.000 0.799 239 E CB 0.021 29.691 29.700 -0.051 0.000 0.752 239 E HN -0.056 nan 8.360 nan 0.000 0.449 240 R N -0.150 120.062 120.500 -0.480 0.000 2.075 240 R HA 0.025 4.366 4.340 0.002 0.000 0.220 240 R C 1.380 177.351 176.300 -0.549 0.000 1.118 240 R CA 1.202 56.929 56.100 -0.623 0.000 0.986 240 R CB -0.094 29.486 30.300 -1.200 0.000 0.884 240 R HN 0.089 nan 8.270 nan 0.000 0.439 241 F N -0.900 118.795 119.950 -0.425 0.000 2.704 241 F HA 0.346 4.874 4.527 0.003 0.000 0.304 241 F C 1.212 176.907 175.800 -0.175 0.000 1.094 241 F CA 0.415 58.281 58.000 -0.224 0.000 1.275 241 F CB 1.042 39.922 39.000 -0.199 0.000 1.073 241 F HN 0.293 nan 8.300 nan 0.000 0.586 242 G N 1.803 110.571 108.800 -0.052 0.000 2.221 242 G HA2 -0.299 3.662 3.960 0.002 0.000 0.265 242 G HA3 -0.299 3.662 3.960 0.002 0.000 0.265 242 G C -0.177 174.646 174.900 -0.129 0.000 1.041 242 G CA -0.065 44.993 45.100 -0.070 0.000 0.807 242 G HN 0.278 nan 8.290 nan 0.000 0.502 243 L N -0.045 121.097 121.223 -0.135 0.000 2.313 243 L HA 0.592 4.934 4.340 0.002 0.000 0.283 243 L C 0.374 177.263 176.870 0.031 0.000 1.013 243 L CA -0.756 53.898 54.840 -0.311 0.000 0.816 243 L CB 1.537 43.258 42.059 -0.564 0.000 1.236 243 L HN 0.167 nan 8.230 nan 0.000 0.419 244 E N 1.384 121.669 120.200 0.141 0.000 2.212 244 E HA 0.257 4.609 4.350 0.002 0.000 0.270 244 E C -1.288 175.648 176.600 0.559 0.000 0.956 244 E CA -0.930 55.682 56.400 0.354 0.000 0.825 244 E CB 2.349 32.215 29.700 0.276 0.000 1.167 244 E HN 0.310 nan 8.360 nan 0.000 0.400 245 Y N 2.602 123.155 120.300 0.422 0.000 2.578 245 Y HA -0.073 4.478 4.550 0.002 0.000 0.339 245 Y C 0.842 176.904 175.900 0.269 0.000 1.231 245 Y CA 0.455 58.770 58.100 0.358 0.000 1.461 245 Y CB 0.575 39.269 38.460 0.390 0.000 1.323 245 Y HN 0.534 nan 8.280 nan 0.000 0.590 246 D N 2.761 122.848 120.400 -0.523 0.000 2.469 246 D HA 0.136 4.777 4.640 0.002 0.000 0.213 246 D C -0.307 175.828 176.300 -0.275 0.000 1.135 246 D CA 0.265 54.090 54.000 -0.292 0.000 0.834 246 D CB -0.127 40.464 40.800 -0.349 0.000 1.009 246 D HN 0.413 nan 8.370 nan 0.000 0.507 247 L N -0.098 120.724 121.223 -0.667 0.000 2.230 247 L HA 0.387 4.728 4.340 0.002 0.000 0.255 247 L C 0.531 177.482 176.870 0.134 0.000 1.039 247 L CA -0.868 53.858 54.840 -0.190 0.000 0.846 247 L CB 2.002 43.973 42.059 -0.145 0.000 1.419 247 L HN -0.285 nan 8.230 nan 0.000 0.435 248 D N 0.237 120.772 120.400 0.224 0.000 2.346 248 D HA 0.204 4.845 4.640 0.002 0.000 0.206 248 D C -0.032 176.454 176.300 0.310 0.000 1.001 248 D CA 0.936 55.086 54.000 0.249 0.000 0.871 248 D CB 1.805 42.708 40.800 0.170 0.000 0.943 248 D HN 0.202 nan 8.370 nan 0.000 0.518 249 I N -0.349 120.451 120.570 0.382 0.000 2.656 249 I HA 0.276 4.448 4.170 0.002 0.000 0.292 249 I C -2.053 174.276 176.117 0.353 0.000 1.144 249 I CA -0.973 60.522 61.300 0.325 0.000 1.038 249 I CB 2.626 40.790 38.000 0.272 0.000 1.244 249 I HN -0.279 nan 8.210 nan 0.000 0.420 250 Y N 7.981 128.334 120.300 0.088 0.000 2.338 250 Y HA 0.600 5.151 4.550 0.002 0.000 0.328 250 Y C -0.975 174.899 175.900 -0.044 0.000 0.965 250 Y CA -0.698 57.359 58.100 -0.071 0.000 1.208 250 Y CB 1.395 39.630 38.460 -0.375 0.000 1.132 250 Y HN 0.471 nan 8.280 nan 0.000 0.469 251 M N 6.912 126.461 119.600 -0.085 0.000 2.404 251 M HA 0.533 5.014 4.480 0.002 0.000 0.338 251 M C -1.171 175.087 176.300 -0.070 0.000 1.150 251 M CA -0.443 54.856 55.300 -0.001 0.000 1.016 251 M CB 1.815 34.379 32.600 -0.059 0.000 1.672 251 M HN 0.472 nan 8.290 nan 0.000 0.448 252 I N 2.450 123.014 120.570 -0.009 0.000 2.498 252 I HA 0.498 4.669 4.170 0.002 0.000 0.290 252 I C -1.013 175.035 176.117 -0.115 0.000 1.032 252 I CA -1.018 60.220 61.300 -0.103 0.000 1.073 252 I CB 2.233 40.074 38.000 -0.265 0.000 1.251 252 I HN 0.318 nan 8.210 nan 0.000 0.426 253 V N 5.020 124.834 119.914 -0.167 0.000 2.409 253 V HA 0.577 4.698 4.120 0.002 0.000 0.291 253 V C 0.253 176.257 176.094 -0.149 0.000 1.020 253 V CA -0.642 61.513 62.300 -0.242 0.000 0.848 253 V CB 1.629 33.203 31.823 -0.415 0.000 0.990 253 V HN 0.816 nan 8.190 nan 0.000 0.430 254 A N 5.305 128.052 122.820 -0.122 0.000 2.269 254 A HA 0.754 5.076 4.320 0.002 0.000 0.302 254 A C -0.206 177.384 177.584 0.009 0.000 1.266 254 A CA -0.397 51.612 52.037 -0.046 0.000 0.894 254 A CB 0.685 19.659 19.000 -0.044 0.000 1.147 254 A HN 1.291 nan 8.150 nan 0.000 0.537 255 V N 0.330 120.252 119.914 0.013 0.000 2.715 255 V HA 0.529 4.650 4.120 0.002 0.000 0.310 255 V C 0.029 176.196 176.094 0.121 0.000 1.054 255 V CA -0.660 61.707 62.300 0.112 0.000 0.928 255 V CB 1.855 33.770 31.823 0.152 0.000 1.007 255 V HN 0.664 nan 8.190 nan 0.000 0.437 256 D N 1.927 122.426 120.400 0.166 0.000 2.234 256 D HA 0.129 4.770 4.640 0.002 0.000 0.205 256 D C 0.063 176.270 176.300 -0.156 0.000 0.962 256 D CA 1.550 55.539 54.000 -0.018 0.000 0.855 256 D CB -0.016 40.732 40.800 -0.087 0.000 0.951 256 D HN 0.608 nan 8.370 nan 0.000 0.500 257 F N 0.279 120.348 119.950 0.199 0.000 2.347 257 F HA 0.394 4.922 4.527 0.002 0.000 0.366 257 F C -0.471 175.549 175.800 0.367 0.000 1.107 257 F CA -0.904 57.227 58.000 0.218 0.000 1.058 257 F CB 0.862 39.994 39.000 0.219 0.000 1.236 257 F HN -0.338 nan 8.300 nan 0.000 0.456 258 F N 3.016 123.048 119.950 0.137 0.000 2.639 258 F HA 0.303 4.831 4.527 0.002 0.000 0.326 258 F C 0.255 176.045 175.800 -0.017 0.000 1.150 258 F CA -0.851 57.203 58.000 0.091 0.000 1.057 258 F CB 1.244 40.304 39.000 0.100 0.000 1.300 258 F HN 0.203 nan 8.300 nan 0.000 0.486 259 N N 3.956 122.382 118.700 -0.456 0.000 2.270 259 N HA 0.049 4.790 4.740 0.002 0.000 0.181 259 N C 0.532 175.908 175.510 -0.222 0.000 1.016 259 N CA 1.226 54.084 53.050 -0.320 0.000 0.870 259 N CB 0.152 38.407 38.487 -0.388 0.000 0.979 259 N HN 0.534 nan 8.380 nan 0.000 0.431 260 M N -1.736 117.701 119.600 -0.272 0.000 2.407 260 M HA 0.349 4.830 4.480 0.002 0.000 0.235 260 M C 1.730 178.234 176.300 0.341 0.000 0.846 260 M CA -0.493 54.804 55.300 -0.005 0.000 1.540 260 M CB 0.045 32.587 32.600 -0.098 0.000 1.274 260 M HN -0.074 nan 8.290 nan 0.000 0.802 261 G N -0.223 108.769 108.800 0.320 0.000 2.524 261 G HA2 0.512 4.473 3.960 0.002 0.000 0.210 261 G HA3 0.512 4.473 3.960 0.002 0.000 0.210 261 G C -0.003 175.001 174.900 0.173 0.000 1.187 261 G CA 0.708 46.040 45.100 0.386 0.000 0.825 261 G HN 0.796 nan 8.290 nan 0.000 0.558 262 A N -1.698 121.114 122.820 -0.013 0.000 2.566 262 A HA 0.712 5.033 4.320 0.002 0.000 0.290 262 A C -1.801 175.697 177.584 -0.142 0.000 1.071 262 A CA -0.481 51.267 52.037 -0.483 0.000 0.658 262 A CB 1.458 19.578 19.000 -1.467 0.000 1.285 262 A HN 0.492 nan 8.150 nan 0.000 0.427 263 M N 1.277 120.775 119.600 -0.171 0.000 2.326 263 M HA 0.421 4.902 4.480 0.002 0.000 0.292 263 M C 0.116 176.427 176.300 0.018 0.000 1.081 263 M CA -0.337 54.994 55.300 0.052 0.000 0.919 263 M CB 1.940 34.663 32.600 0.206 0.000 1.634 263 M HN 0.732 nan 8.290 nan 0.000 0.451 264 E N 2.703 122.937 120.200 0.057 0.000 2.301 264 E HA 0.040 4.391 4.350 0.002 0.000 0.195 264 E C -0.945 175.625 176.600 -0.050 0.000 1.171 264 E CA -0.055 56.374 56.400 0.049 0.000 1.142 264 E CB -0.879 28.871 29.700 0.084 0.000 1.218 264 E HN 0.689 nan 8.360 nan 0.000 0.448 265 N N 2.293 120.940 118.700 -0.087 0.000 2.356 265 N HA -0.084 4.657 4.740 0.002 0.000 0.252 265 N C 0.069 175.435 175.510 -0.240 0.000 1.241 265 N CA 0.336 53.273 53.050 -0.189 0.000 0.861 265 N CB 0.519 38.867 38.487 -0.232 0.000 1.075 265 N HN 0.121 nan 8.380 nan 0.000 0.461 266 K N 1.298 121.537 120.400 -0.269 0.000 2.430 266 K HA 0.063 4.384 4.320 0.002 0.000 0.280 266 K C 1.150 177.600 176.600 -0.250 0.000 1.063 266 K CA 0.857 56.995 56.287 -0.248 0.000 1.071 266 K CB -0.560 31.794 32.500 -0.244 0.000 0.899 266 K HN 0.720 nan 8.250 nan 0.000 0.473 267 G N 3.135 111.776 108.800 -0.265 0.000 2.196 267 G HA2 -0.272 3.689 3.960 0.002 0.000 0.268 267 G HA3 -0.272 3.689 3.960 0.002 0.000 0.268 267 G C -0.191 174.471 174.900 -0.397 0.000 0.975 267 G CA 0.562 45.493 45.100 -0.282 0.000 0.648 267 G HN 0.635 nan 8.290 nan 0.000 0.538 268 L N 1.173 122.154 121.223 -0.402 0.000 2.448 268 L HA 0.442 4.784 4.340 0.002 0.000 0.257 268 L C -0.140 176.557 176.870 -0.288 0.000 1.504 268 L CA -1.109 53.503 54.840 -0.380 0.000 0.852 268 L CB -0.177 41.604 42.059 -0.463 0.000 1.051 268 L HN 0.258 nan 8.230 nan 0.000 0.518 269 N N 3.418 121.993 118.700 -0.208 0.000 2.518 269 N HA 0.435 5.176 4.740 0.002 0.000 0.266 269 N C -0.730 174.800 175.510 0.033 0.000 1.196 269 N CA -0.090 52.961 53.050 0.002 0.000 0.947 269 N CB 1.164 39.836 38.487 0.308 0.000 1.098 269 N HN 0.404 nan 8.380 nan 0.000 0.450 270 I N 2.580 123.160 120.570 0.016 0.000 2.389 270 I HA 0.327 4.499 4.170 0.002 0.000 0.288 270 I C -0.960 175.030 176.117 -0.211 0.000 0.999 270 I CA -0.521 60.736 61.300 -0.072 0.000 1.129 270 I CB 0.830 38.768 38.000 -0.103 0.000 1.288 270 I HN 0.298 nan 8.210 nan 0.000 0.444 271 F N 4.283 123.965 119.950 -0.447 0.000 2.495 271 F HA 0.345 4.873 4.527 0.002 0.000 0.327 271 F C 0.648 176.115 175.800 -0.555 0.000 1.103 271 F CA -0.918 56.815 58.000 -0.446 0.000 0.949 271 F CB 1.254 40.144 39.000 -0.183 0.000 1.142 271 F HN 0.397 nan 8.300 nan 0.000 0.457 272 N N 1.433 119.863 118.700 -0.450 0.000 2.411 272 N HA -0.082 4.659 4.740 0.002 0.000 0.261 272 N C 0.913 176.415 175.510 -0.013 0.000 1.248 272 N CA 0.535 53.500 53.050 -0.141 0.000 0.885 272 N CB 1.043 39.545 38.487 0.024 0.000 1.062 272 N HN 0.614 nan 8.380 nan 0.000 0.471 273 S N 3.492 119.178 115.700 -0.024 0.000 2.420 273 S HA -0.229 4.242 4.470 0.002 0.000 0.237 273 S C 1.642 176.214 174.600 -0.047 0.000 1.023 273 S CA 1.472 59.661 58.200 -0.017 0.000 0.991 273 S CB -0.102 63.084 63.200 -0.023 0.000 0.792 273 S HN 0.814 nan 8.310 nan 0.000 0.488 274 K N 0.212 120.533 120.400 -0.132 0.000 2.147 274 K HA -0.127 4.194 4.320 0.002 0.000 0.205 274 K C 0.604 177.072 176.600 -0.220 0.000 1.049 274 K CA 1.406 57.544 56.287 -0.249 0.000 0.936 274 K CB -0.376 31.872 32.500 -0.420 0.000 0.722 274 K HN 0.346 nan 8.250 nan 0.000 0.446 275 Y N 0.701 121.048 120.300 0.079 0.000 2.583 275 Y HA 0.201 4.752 4.550 0.002 0.000 0.294 275 Y C 1.174 177.170 175.900 0.160 0.000 1.170 275 Y CA -0.632 57.556 58.100 0.146 0.000 1.265 275 Y CB 0.654 39.227 38.460 0.188 0.000 1.119 275 Y HN -0.096 nan 8.280 nan 0.000 0.522 276 V N -1.791 118.214 119.914 0.151 0.000 3.102 276 V HA 0.111 4.232 4.120 0.002 0.000 0.225 276 V C 0.496 176.583 176.094 -0.012 0.000 1.301 276 V CA -0.127 62.177 62.300 0.006 0.000 1.308 276 V CB 0.347 32.120 31.823 -0.083 0.000 1.129 276 V HN -0.079 nan 8.190 nan 0.000 0.502 277 L N 1.911 123.117 121.223 -0.030 0.000 2.313 277 L HA 0.707 5.049 4.340 0.002 0.000 0.282 277 L C -0.178 176.632 176.870 -0.100 0.000 1.092 277 L CA 0.109 54.917 54.840 -0.053 0.000 0.831 277 L CB 0.798 42.826 42.059 -0.052 0.000 1.159 277 L HN 0.334 nan 8.230 nan 0.000 0.442 278 A N 5.014 127.765 122.820 -0.115 0.000 2.517 278 A HA 0.856 5.177 4.320 0.002 0.000 0.297 278 A C -0.872 176.632 177.584 -0.133 0.000 1.050 278 A CA -0.753 51.126 52.037 -0.264 0.000 0.694 278 A CB 1.836 20.451 19.000 -0.642 0.000 1.277 278 A HN 0.842 nan 8.150 nan 0.000 0.400 279 R N -0.393 120.051 120.500 -0.093 0.000 2.764 279 R HA 0.640 4.981 4.340 0.002 0.000 0.270 279 R C 0.562 176.908 176.300 0.077 0.000 1.014 279 R CA -0.087 56.046 56.100 0.055 0.000 0.904 279 R CB 0.739 31.062 30.300 0.038 0.000 1.236 279 R HN 0.707 nan 8.270 nan 0.000 0.466 280 T N -2.658 111.955 114.554 0.098 0.000 2.881 280 T HA -0.175 4.176 4.350 0.002 0.000 0.270 280 T C 1.054 175.659 174.700 -0.158 0.000 1.068 280 T CA 1.596 63.674 62.100 -0.037 0.000 1.131 280 T CB -0.468 68.320 68.868 -0.133 0.000 0.871 280 T HN 0.747 nan 8.240 nan 0.000 0.479 281 D N 1.463 121.818 120.400 -0.076 0.000 2.349 281 D HA -0.025 4.617 4.640 0.002 0.000 0.215 281 D C 1.855 178.050 176.300 -0.175 0.000 1.016 281 D CA 1.103 55.074 54.000 -0.049 0.000 0.870 281 D CB -0.504 40.362 40.800 0.109 0.000 0.917 281 D HN 0.641 nan 8.370 nan 0.000 0.524 282 T N -3.409 111.003 114.554 -0.237 0.000 2.969 282 T HA 0.541 4.892 4.350 0.002 0.000 0.250 282 T C 0.759 175.272 174.700 -0.312 0.000 1.021 282 T CA 0.130 61.967 62.100 -0.439 0.000 1.003 282 T CB 0.374 69.029 68.868 -0.354 0.000 1.040 282 T HN 0.225 nan 8.240 nan 0.000 0.492 283 A N 2.002 124.710 122.820 -0.188 0.000 2.386 283 A HA 0.732 5.053 4.320 0.002 0.000 0.311 283 A C 0.274 177.861 177.584 0.005 0.000 1.068 283 A CA -0.627 51.323 52.037 -0.146 0.000 0.743 283 A CB 1.398 20.201 19.000 -0.328 0.000 1.258 283 A HN 0.472 nan 8.150 nan 0.000 0.429 284 T N -0.912 113.660 114.554 0.029 0.000 2.847 284 T HA 0.314 4.666 4.350 0.002 0.000 0.279 284 T C 0.352 175.187 174.700 0.225 0.000 0.984 284 T CA -0.101 62.056 62.100 0.094 0.000 0.988 284 T CB 0.628 69.527 68.868 0.053 0.000 1.040 284 T HN 0.462 nan 8.240 nan 0.000 0.528 285 D N 0.044 120.548 120.400 0.174 0.000 2.149 285 D HA -0.143 4.498 4.640 0.002 0.000 0.194 285 D C 1.879 178.257 176.300 0.130 0.000 1.001 285 D CA 1.191 55.263 54.000 0.120 0.000 0.849 285 D CB -0.103 40.721 40.800 0.038 0.000 0.939 285 D HN 0.554 nan 8.370 nan 0.000 0.449 286 K N 0.873 121.334 120.400 0.103 0.000 2.057 286 K HA -0.149 4.172 4.320 0.002 0.000 0.207 286 K C 1.335 178.009 176.600 0.123 0.000 1.049 286 K CA 1.124 57.468 56.287 0.095 0.000 0.931 286 K CB -0.112 32.429 32.500 0.068 0.000 0.714 286 K HN 0.052 nan 8.250 nan 0.000 0.440 287 D N -0.213 120.250 120.400 0.105 0.000 2.097 287 D HA -0.171 4.470 4.640 0.002 0.000 0.195 287 D C 2.005 178.365 176.300 0.100 0.000 0.989 287 D CA 1.209 55.252 54.000 0.073 0.000 0.827 287 D CB -0.517 40.258 40.800 -0.042 0.000 0.966 287 D HN 0.252 nan 8.370 nan 0.000 0.456 288 Y N 0.990 121.304 120.300 0.023 0.000 2.128 288 Y HA -0.133 4.418 4.550 0.002 0.000 0.284 288 Y C 2.546 178.620 175.900 0.290 0.000 1.154 288 Y CA 0.897 58.988 58.100 -0.015 0.000 1.149 288 Y CB -0.382 37.801 38.460 -0.462 0.000 0.976 288 Y HN -0.050 nan 8.280 nan 0.000 0.505 289 L N -0.727 120.684 121.223 0.314 0.000 2.141 289 L HA -0.195 4.147 4.340 0.002 0.000 0.209 289 L C 1.762 178.765 176.870 0.221 0.000 1.094 289 L CA 0.995 55.994 54.840 0.265 0.000 0.763 289 L CB -0.445 41.709 42.059 0.159 0.000 0.908 289 L HN 0.195 nan 8.230 nan 0.000 0.437 290 D N 0.442 120.969 120.400 0.211 0.000 2.117 290 D HA -0.111 4.530 4.640 0.002 0.000 0.198 290 D C 2.300 178.715 176.300 0.191 0.000 0.982 290 D CA 1.126 55.233 54.000 0.179 0.000 0.828 290 D CB -0.006 40.961 40.800 0.278 0.000 0.967 290 D HN 0.252 nan 8.370 nan 0.000 0.464 291 I N 1.095 121.852 120.570 0.311 0.000 2.163 291 I HA -0.269 3.902 4.170 0.002 0.000 0.243 291 I C 2.472 178.697 176.117 0.180 0.000 1.085 291 I CA 1.226 62.702 61.300 0.293 0.000 1.347 291 I CB -0.213 37.992 38.000 0.342 0.000 1.044 291 I HN 0.039 nan 8.210 nan 0.000 0.408 292 E N 1.297 121.645 120.200 0.247 0.000 2.058 292 E HA -0.327 4.024 4.350 0.002 0.000 0.194 292 E C 2.365 179.086 176.600 0.201 0.000 0.997 292 E CA 1.677 58.166 56.400 0.147 0.000 0.801 292 E CB -0.100 29.735 29.700 0.225 0.000 0.746 292 E HN 0.320 nan 8.360 nan 0.000 0.450 293 R N 0.058 120.650 120.500 0.154 0.000 2.094 293 R HA -0.164 4.177 4.340 0.002 0.000 0.239 293 R C 2.225 178.568 176.300 0.071 0.000 1.137 293 R CA 2.036 58.211 56.100 0.126 0.000 0.943 293 R CB -0.299 30.025 30.300 0.041 0.000 0.850 293 R HN 0.145 nan 8.270 nan 0.000 0.433 294 V N 1.012 120.910 119.914 -0.027 0.000 2.407 294 V HA -0.172 3.949 4.120 0.002 0.000 0.245 294 V C 2.447 178.617 176.094 0.126 0.000 1.041 294 V CA 1.192 63.436 62.300 -0.093 0.000 1.040 294 V CB -0.360 31.200 31.823 -0.439 0.000 0.671 294 V HN 0.320 nan 8.190 nan 0.000 0.455 295 I N 1.340 122.038 120.570 0.213 0.000 2.151 295 I HA -0.232 3.939 4.170 0.002 0.000 0.243 295 I C 2.627 178.668 176.117 -0.126 0.000 1.080 295 I CA 2.259 63.647 61.300 0.145 0.000 1.339 295 I CB -1.727 36.203 38.000 -0.116 0.000 1.039 295 I HN 0.410 nan 8.210 nan 0.000 0.409 296 G N -0.336 108.289 108.800 -0.292 0.000 2.459 296 G HA2 -0.345 3.616 3.960 0.002 0.000 0.217 296 G HA3 -0.345 3.616 3.960 0.002 0.000 0.217 296 G C 1.612 175.868 174.900 -1.075 0.000 1.183 296 G CA 1.414 45.928 45.100 -0.978 0.000 0.776 296 G HN 0.466 nan 8.290 nan 0.000 0.552 297 H N 0.781 119.617 119.070 -0.390 0.000 2.289 297 H HA -0.114 4.444 4.556 0.002 0.000 0.294 297 H C 2.601 177.833 175.328 -0.161 0.000 1.095 297 H CA 2.261 58.209 56.048 -0.167 0.000 1.256 297 H CB 0.147 29.878 29.762 -0.052 0.000 1.359 297 H HN 0.271 nan 8.280 nan 0.000 0.487 298 E N -0.244 120.024 120.200 0.112 0.000 2.077 298 E HA -0.217 4.134 4.350 0.002 0.000 0.193 298 E C 2.138 178.818 176.600 0.134 0.000 0.989 298 E CA 1.146 57.670 56.400 0.208 0.000 0.800 298 E CB -0.847 28.994 29.700 0.236 0.000 0.746 298 E HN 0.638 nan 8.360 nan 0.000 0.452 299 Y N 0.882 121.096 120.300 -0.142 0.000 2.181 299 Y HA -0.233 4.318 4.550 0.002 0.000 0.288 299 Y C 1.980 177.844 175.900 -0.060 0.000 1.146 299 Y CA 1.385 59.377 58.100 -0.180 0.000 1.164 299 Y CB -0.359 37.769 38.460 -0.555 0.000 0.982 299 Y HN -0.108 nan 8.280 nan 0.000 0.515 300 F N -0.755 119.116 119.950 -0.132 0.000 2.293 300 F HA -0.174 4.354 4.527 0.002 0.000 0.300 300 F C 2.472 178.173 175.800 -0.165 0.000 1.086 300 F CA 1.194 59.080 58.000 -0.189 0.000 1.375 300 F CB -1.289 37.602 39.000 -0.182 0.000 1.045 300 F HN 0.221 nan 8.300 nan 0.000 0.516 301 H N -0.176 118.887 119.070 -0.012 0.000 2.489 301 H HA -0.134 4.423 4.556 0.002 0.000 0.293 301 H C 2.010 177.310 175.328 -0.046 0.000 1.066 301 H CA 1.115 57.160 56.048 -0.006 0.000 1.305 301 H CB -0.547 29.219 29.762 0.008 0.000 1.386 301 H HN 0.240 nan 8.280 nan 0.000 0.551 302 N N 0.006 118.685 118.700 -0.035 0.000 2.137 302 N HA -0.191 4.550 4.740 0.002 0.000 0.190 302 N C 1.581 176.855 175.510 -0.393 0.000 1.017 302 N CA 1.597 54.513 53.050 -0.225 0.000 0.859 302 N CB -0.140 38.176 38.487 -0.285 0.000 1.002 302 N HN 0.273 nan 8.380 nan 0.000 0.428 303 W N -0.343 120.891 121.300 -0.110 0.000 2.601 303 W HA 0.211 4.872 4.660 0.003 0.000 0.292 303 W C 0.788 177.419 176.519 0.187 0.000 1.153 303 W CA 0.816 58.109 57.345 -0.086 0.000 1.448 303 W CB -0.662 28.634 29.460 -0.273 0.000 1.113 303 W HN -0.042 nan 8.180 nan 0.000 0.548 304 T N -1.156 113.663 114.554 0.441 0.000 3.579 304 T HA 0.624 4.975 4.350 0.002 0.000 0.328 304 T C 0.661 175.587 174.700 0.376 0.000 1.481 304 T CA 0.267 62.622 62.100 0.426 0.000 1.144 304 T CB -0.016 69.028 68.868 0.294 0.000 1.205 304 T HN 0.346 nan 8.240 nan 0.000 0.812 305 G N 2.995 111.980 108.800 0.309 0.000 3.675 305 G HA2 -0.185 3.777 3.960 0.002 0.000 0.206 305 G HA3 -0.185 3.777 3.960 0.002 0.000 0.206 305 G C 0.808 175.778 174.900 0.116 0.000 1.086 305 G CA -0.157 45.091 45.100 0.247 0.000 0.894 305 G HN 0.490 nan 8.290 nan 0.000 0.412 306 N N 0.518 119.222 118.700 0.008 0.000 2.413 306 N HA 0.169 4.911 4.740 0.002 0.000 0.193 306 N C 2.086 177.469 175.510 -0.211 0.000 1.043 306 N CA 0.680 53.639 53.050 -0.152 0.000 0.910 306 N CB -0.307 38.032 38.487 -0.248 0.000 1.111 306 N HN 0.079 nan 8.380 nan 0.000 0.452 307 R N 0.603 120.900 120.500 -0.338 0.000 2.096 307 R HA 0.072 4.413 4.340 0.002 0.000 0.235 307 R C -0.044 176.224 176.300 -0.054 0.000 1.127 307 R CA 0.552 56.435 56.100 -0.362 0.000 0.968 307 R CB -0.416 29.411 30.300 -0.788 0.000 0.861 307 R HN 0.101 nan 8.270 nan 0.000 0.440 308 V N 1.048 121.015 119.914 0.088 0.000 2.378 308 V HA 0.211 4.332 4.120 0.002 0.000 0.288 308 V C 0.367 176.531 176.094 0.117 0.000 1.016 308 V CA -0.452 61.910 62.300 0.105 0.000 0.840 308 V CB 1.841 33.702 31.823 0.062 0.000 0.994 308 V HN 0.105 nan 8.190 nan 0.000 0.431 309 T N 3.587 118.185 114.554 0.073 0.000 2.864 309 T HA 0.423 4.775 4.350 0.002 0.000 0.276 309 T C -0.274 174.448 174.700 0.037 0.000 1.006 309 T CA -0.296 61.857 62.100 0.089 0.000 0.970 309 T CB 1.302 70.226 68.868 0.094 0.000 1.420 309 T HN 0.703 nan 8.240 nan 0.000 0.601 310 C N 2.239 121.521 119.300 -0.030 0.000 2.330 310 C HA 0.498 4.960 4.460 0.002 0.000 0.344 310 C C 1.994 176.857 174.990 -0.212 0.000 1.273 310 C CA -0.697 58.230 59.018 -0.152 0.000 1.879 310 C CB 0.451 28.017 27.740 -0.291 0.000 2.376 310 C HN 1.034 nan 8.230 nan 0.000 0.534 311 R N 1.331 121.719 120.500 -0.187 0.000 2.096 311 R HA -0.096 4.245 4.340 0.002 0.000 0.235 311 R C 0.017 176.182 176.300 -0.224 0.000 1.127 311 R CA 2.026 58.004 56.100 -0.203 0.000 0.968 311 R CB 0.146 30.268 30.300 -0.297 0.000 0.861 311 R HN 1.005 nan 8.270 nan 0.000 0.440 312 D N -4.854 115.380 120.400 -0.276 0.000 2.639 312 D HA 0.059 4.700 4.640 0.002 0.000 0.271 312 D C -0.358 175.742 176.300 -0.333 0.000 1.254 312 D CA -0.802 53.055 54.000 -0.239 0.000 0.810 312 D CB -0.464 40.387 40.800 0.085 0.000 1.351 312 D HN -0.045 nan 8.370 nan 0.000 0.427 313 W N -0.859 120.364 121.300 -0.130 0.000 2.595 313 W HA 0.108 4.770 4.660 0.002 0.000 0.257 313 W C 1.148 177.458 176.519 -0.349 0.000 1.267 313 W CA -0.347 56.831 57.345 -0.279 0.000 1.300 313 W CB -0.233 29.026 29.460 -0.334 0.000 1.120 313 W HN 0.304 nan 8.180 nan 0.000 0.618 314 F N 0.263 120.254 119.950 0.069 0.000 2.451 314 F HA -0.176 4.353 4.527 0.002 0.000 0.299 314 F C 2.101 177.910 175.800 0.015 0.000 1.101 314 F CA 0.927 58.930 58.000 0.005 0.000 1.436 314 F CB -0.662 38.327 39.000 -0.017 0.000 1.074 314 F HN -0.079 nan 8.300 nan 0.000 0.553 315 Q N 0.273 120.144 119.800 0.119 0.000 2.247 315 Q HA 0.080 4.421 4.340 0.002 0.000 0.205 315 Q C 2.043 178.069 176.000 0.044 0.000 0.896 315 Q CA 0.035 55.874 55.803 0.060 0.000 0.950 315 Q CB -0.360 28.363 28.738 -0.024 0.000 1.054 315 Q HN 0.412 nan 8.270 nan 0.000 0.482 316 L N 1.656 122.919 121.223 0.068 0.000 2.051 316 L HA -0.252 4.090 4.340 0.002 0.000 0.214 316 L C 2.192 179.068 176.870 0.010 0.000 1.076 316 L CA 2.443 57.317 54.840 0.057 0.000 0.758 316 L CB -0.794 41.256 42.059 -0.013 0.000 0.890 316 L HN 0.296 nan 8.230 nan 0.000 0.433 317 S N -1.328 114.390 115.700 0.031 0.000 2.469 317 S HA -0.187 4.284 4.470 0.002 0.000 0.238 317 S C 2.014 176.609 174.600 -0.009 0.000 0.998 317 S CA 1.012 59.218 58.200 0.009 0.000 0.957 317 S CB -0.991 62.249 63.200 0.067 0.000 0.764 317 S HN 0.443 nan 8.310 nan 0.000 0.514 318 L N 2.652 123.878 121.223 0.006 0.000 2.012 318 L HA -0.129 4.213 4.340 0.002 0.000 0.210 318 L C 2.423 179.236 176.870 -0.095 0.000 1.073 318 L CA 2.447 57.240 54.840 -0.079 0.000 0.748 318 L CB -0.619 41.424 42.059 -0.026 0.000 0.891 318 L HN 0.603 nan 8.230 nan 0.000 0.431 319 K N -2.413 117.995 120.400 0.014 0.000 2.202 319 K HA 0.013 4.335 4.320 0.002 0.000 0.201 319 K C 1.727 178.380 176.600 0.089 0.000 1.051 319 K CA 0.648 57.002 56.287 0.112 0.000 0.977 319 K CB -0.350 32.289 32.500 0.232 0.000 0.792 319 K HN 0.184 nan 8.250 nan 0.000 0.469 320 E N 1.497 121.684 120.200 -0.023 0.000 2.046 320 E HA -0.051 4.300 4.350 0.002 0.000 0.190 320 E C 2.319 178.816 176.600 -0.172 0.000 0.982 320 E CA 1.450 57.716 56.400 -0.224 0.000 0.800 320 E CB -0.594 28.652 29.700 -0.757 0.000 0.756 320 E HN 0.528 nan 8.360 nan 0.000 0.449 321 G N 1.772 110.503 108.800 -0.114 0.000 2.446 321 G HA2 -0.251 3.710 3.960 0.002 0.000 0.217 321 G HA3 -0.251 3.710 3.960 0.002 0.000 0.217 321 G C 1.609 176.513 174.900 0.008 0.000 1.168 321 G CA 0.925 46.003 45.100 -0.036 0.000 0.771 321 G HN 0.223 nan 8.290 nan 0.000 0.551 322 L N 0.830 122.008 121.223 -0.075 0.000 2.093 322 L HA 0.060 4.401 4.340 0.002 0.000 0.208 322 L C 2.831 179.732 176.870 0.053 0.000 1.085 322 L CA 2.440 57.258 54.840 -0.038 0.000 0.755 322 L CB -0.843 41.068 42.059 -0.247 0.000 0.904 322 L HN 0.184 nan 8.230 nan 0.000 0.435 323 T N -1.496 113.015 114.554 -0.073 0.000 2.896 323 T HA -0.076 4.275 4.350 0.002 0.000 0.263 323 T C 1.990 176.637 174.700 -0.088 0.000 1.050 323 T CA 1.266 63.217 62.100 -0.249 0.000 1.140 323 T CB -0.204 68.167 68.868 -0.828 0.000 0.877 323 T HN 0.155 nan 8.240 nan 0.000 0.457 324 V N 1.482 121.465 119.914 0.114 0.000 2.295 324 V HA -0.150 3.971 4.120 0.002 0.000 0.246 324 V C 2.005 178.219 176.094 0.200 0.000 1.049 324 V CA 1.667 64.125 62.300 0.264 0.000 1.024 324 V CB -0.761 31.226 31.823 0.273 0.000 0.648 324 V HN 0.438 nan 8.190 nan 0.000 0.447 325 F N 1.356 121.338 119.950 0.053 0.000 2.091 325 F HA -0.246 4.282 4.527 0.002 0.000 0.299 325 F C 2.558 178.393 175.800 0.060 0.000 1.103 325 F CA 1.999 60.026 58.000 0.044 0.000 1.228 325 F CB -0.332 38.702 39.000 0.056 0.000 0.984 325 F HN -0.025 nan 8.300 nan 0.000 0.477 326 R N 0.284 120.802 120.500 0.029 0.000 2.083 326 R HA -0.198 4.143 4.340 0.002 0.000 0.237 326 R C 2.044 178.239 176.300 -0.175 0.000 1.137 326 R CA 1.848 57.866 56.100 -0.137 0.000 0.951 326 R CB -0.880 29.248 30.300 -0.287 0.000 0.851 326 R HN 0.573 nan 8.270 nan 0.000 0.434 327 D N 0.094 120.555 120.400 0.102 0.000 2.144 327 D HA -0.201 4.441 4.640 0.002 0.000 0.199 327 D C 1.629 177.965 176.300 0.060 0.000 0.984 327 D CA 1.319 55.474 54.000 0.259 0.000 0.834 327 D CB -0.198 40.821 40.800 0.365 0.000 0.955 327 D HN 0.272 nan 8.370 nan 0.000 0.465 328 Q N -0.367 119.401 119.800 -0.053 0.000 2.079 328 Q HA -0.110 4.232 4.340 0.002 0.000 0.200 328 Q C 2.038 177.894 176.000 -0.241 0.000 0.974 328 Q CA 1.164 56.886 55.803 -0.135 0.000 0.840 328 Q CB -0.019 28.640 28.738 -0.132 0.000 0.898 328 Q HN 0.358 nan 8.270 nan 0.000 0.430 329 E N 0.285 120.280 120.200 -0.342 0.000 2.106 329 E HA -0.153 4.199 4.350 0.002 0.000 0.192 329 E C 1.694 178.136 176.600 -0.263 0.000 0.984 329 E CA 0.673 56.917 56.400 -0.260 0.000 0.806 329 E CB -0.228 29.356 29.700 -0.192 0.000 0.750 329 E HN 0.267 nan 8.360 nan 0.000 0.458 330 F N 2.119 121.519 119.950 -0.917 0.000 2.051 330 F HA -0.188 4.340 4.527 0.002 0.000 0.296 330 F C 2.402 177.816 175.800 -0.643 0.000 1.122 330 F CA 1.624 58.744 58.000 -1.468 0.000 1.201 330 F CB -0.588 37.671 39.000 -1.235 0.000 0.978 330 F HN -0.133 nan 8.300 nan 0.000 0.472 331 S N -0.092 115.290 115.700 -0.530 0.000 2.370 331 S HA -0.199 4.272 4.470 0.002 0.000 0.226 331 S C 2.204 176.573 174.600 -0.386 0.000 1.033 331 S CA 1.528 59.444 58.200 -0.474 0.000 1.011 331 S CB -0.632 62.434 63.200 -0.225 0.000 0.852 331 S HN 0.460 nan 8.310 nan 0.000 0.457 332 S N 1.386 116.909 115.700 -0.295 0.000 2.368 332 S HA -0.090 4.381 4.470 0.002 0.000 0.224 332 S C 1.540 176.018 174.600 -0.202 0.000 1.029 332 S CA 1.060 59.125 58.200 -0.225 0.000 0.988 332 S CB -0.409 62.684 63.200 -0.179 0.000 0.838 332 S HN 0.434 nan 8.310 nan 0.000 0.462 333 D N 1.194 121.492 120.400 -0.170 0.000 2.097 333 D HA -0.008 4.634 4.640 0.002 0.000 0.197 333 D C 1.788 178.011 176.300 -0.129 0.000 0.984 333 D CA 0.793 54.764 54.000 -0.049 0.000 0.826 333 D CB -0.288 40.639 40.800 0.212 0.000 0.973 333 D HN 0.183 nan 8.370 nan 0.000 0.460 334 L N -0.077 120.980 121.223 -0.277 0.000 2.156 334 L HA 0.136 4.477 4.340 0.002 0.000 0.208 334 L C 1.723 178.348 176.870 -0.408 0.000 1.095 334 L CA 1.061 55.745 54.840 -0.260 0.000 0.770 334 L CB -0.600 41.239 42.059 -0.367 0.000 0.914 334 L HN -0.007 nan 8.230 nan 0.000 0.439 335 G N -2.551 105.876 108.800 -0.620 0.000 3.099 335 G HA2 0.285 4.246 3.960 0.002 0.000 0.151 335 G HA3 0.285 4.246 3.960 0.002 0.000 0.151 335 G C -0.678 173.891 174.900 -0.553 0.000 1.265 335 G CA -0.022 44.392 45.100 -1.142 0.000 0.981 335 G HN -0.023 nan 8.290 nan 0.000 0.601 336 S N -0.560 114.900 115.700 -0.401 0.000 2.416 336 S HA 0.187 4.658 4.470 0.002 0.000 0.287 336 S C 1.484 175.982 174.600 -0.171 0.000 1.139 336 S CA -0.285 57.790 58.200 -0.209 0.000 1.058 336 S CB 0.819 63.938 63.200 -0.134 0.000 0.967 336 S HN 0.580 nan 8.310 nan 0.000 0.495 337 R N 4.368 124.784 120.500 -0.140 0.000 2.091 337 R HA -0.108 4.233 4.340 0.002 0.000 0.238 337 R C 2.190 178.437 176.300 -0.089 0.000 1.136 337 R CA 1.871 57.902 56.100 -0.115 0.000 0.959 337 R CB -0.682 29.566 30.300 -0.087 0.000 0.856 337 R HN 0.771 nan 8.270 nan 0.000 0.437 338 A N 0.196 122.979 122.820 -0.061 0.000 1.883 338 A HA -0.127 4.195 4.320 0.002 0.000 0.217 338 A C 2.286 179.820 177.584 -0.082 0.000 1.186 338 A CA 1.774 53.795 52.037 -0.027 0.000 0.624 338 A CB -0.683 18.312 19.000 -0.008 0.000 0.822 338 A HN 0.238 nan 8.150 nan 0.000 0.444 339 V N 1.044 120.890 119.914 -0.113 0.000 2.343 339 V HA -0.279 3.843 4.120 0.002 0.000 0.247 339 V C 2.353 178.352 176.094 -0.159 0.000 1.051 339 V CA 2.097 64.306 62.300 -0.151 0.000 1.036 339 V CB -0.967 30.788 31.823 -0.113 0.000 0.654 339 V HN 0.574 nan 8.190 nan 0.000 0.451 340 N N 0.138 118.757 118.700 -0.135 0.000 2.069 340 N HA -0.221 4.520 4.740 0.002 0.000 0.191 340 N C 2.070 177.501 175.510 -0.131 0.000 1.031 340 N CA 1.681 54.653 53.050 -0.130 0.000 0.852 340 N CB -0.261 38.144 38.487 -0.137 0.000 1.018 340 N HN 0.305 nan 8.380 nan 0.000 0.423 341 R N 1.469 121.898 120.500 -0.119 0.000 2.073 341 R HA 0.053 4.394 4.340 0.002 0.000 0.234 341 R C 2.249 178.487 176.300 -0.104 0.000 1.134 341 R CA 0.930 56.959 56.100 -0.117 0.000 0.952 341 R CB -0.689 29.532 30.300 -0.131 0.000 0.850 341 R HN 0.225 nan 8.270 nan 0.000 0.433 342 I N 0.755 121.233 120.570 -0.154 0.000 2.118 342 I HA -0.357 3.814 4.170 0.002 0.000 0.241 342 I C 1.815 177.635 176.117 -0.494 0.000 1.070 342 I CA 1.570 62.541 61.300 -0.549 0.000 1.327 342 I CB -0.440 36.972 38.000 -0.981 0.000 1.034 342 I HN 0.276 nan 8.210 nan 0.000 0.405 343 N N 0.893 119.403 118.700 -0.317 0.000 2.166 343 N HA -0.147 4.595 4.740 0.002 0.000 0.186 343 N C 1.540 176.961 175.510 -0.148 0.000 1.019 343 N CA 1.194 54.120 53.050 -0.206 0.000 0.856 343 N CB -0.511 37.893 38.487 -0.139 0.000 0.993 343 N HN 0.402 nan 8.380 nan 0.000 0.426 344 N N 0.677 119.297 118.700 -0.133 0.000 2.188 344 N HA -0.064 4.677 4.740 0.002 0.000 0.184 344 N C 1.872 177.296 175.510 -0.143 0.000 1.018 344 N CA 0.482 53.475 53.050 -0.096 0.000 0.858 344 N CB -0.376 38.074 38.487 -0.061 0.000 0.989 344 N HN 0.051 nan 8.380 nan 0.000 0.426 345 V N 1.717 121.509 119.914 -0.202 0.000 2.427 345 V HA -0.140 3.981 4.120 0.002 0.000 0.248 345 V C 2.336 178.262 176.094 -0.280 0.000 1.051 345 V CA 1.298 63.379 62.300 -0.366 0.000 1.048 345 V CB -0.355 31.315 31.823 -0.254 0.000 0.666 345 V HN 0.258 nan 8.190 nan 0.000 0.456 346 R N -0.193 120.225 120.500 -0.137 0.000 2.105 346 R HA -0.150 4.191 4.340 0.002 0.000 0.239 346 R C 2.385 178.626 176.300 -0.099 0.000 1.135 346 R CA 1.927 57.997 56.100 -0.051 0.000 0.967 346 R CB -0.741 29.557 30.300 -0.004 0.000 0.861 346 R HN 0.493 nan 8.270 nan 0.000 0.442 347 T N 1.050 115.542 114.554 -0.104 0.000 2.777 347 T HA -0.099 4.252 4.350 0.002 0.000 0.266 347 T C 1.882 176.518 174.700 -0.108 0.000 1.040 347 T CA 1.032 63.087 62.100 -0.074 0.000 1.141 347 T CB -0.014 68.831 68.868 -0.040 0.000 0.868 347 T HN 0.063 nan 8.240 nan 0.000 0.444 348 M N 1.018 120.510 119.600 -0.180 0.000 2.059 348 M HA 0.031 4.512 4.480 0.002 0.000 0.259 348 M C 2.296 178.235 176.300 -0.603 0.000 1.072 348 M CA 1.611 56.771 55.300 -0.233 0.000 1.117 348 M CB -0.894 31.599 32.600 -0.177 0.000 1.320 348 M HN 0.146 nan 8.290 nan 0.000 0.408 349 R N -0.786 119.246 120.500 -0.780 0.000 2.236 349 R HA 0.017 4.358 4.340 0.002 0.000 0.208 349 R C 2.079 178.128 176.300 -0.417 0.000 1.036 349 R CA 0.853 56.305 56.100 -1.079 0.000 1.001 349 R CB -0.210 29.726 30.300 -0.608 0.000 0.896 349 R HN 0.467 nan 8.270 nan 0.000 0.464 350 G N 0.558 109.232 108.800 -0.209 0.000 2.724 350 G HA2 -0.033 3.928 3.960 0.002 0.000 0.217 350 G HA3 -0.033 3.928 3.960 0.002 0.000 0.217 350 G C 1.286 176.197 174.900 0.019 0.000 1.251 350 G CA -0.260 44.817 45.100 -0.038 0.000 0.867 350 G HN -0.001 nan 8.290 nan 0.000 0.590 351 L N 0.045 121.271 121.223 0.004 0.000 2.027 351 L HA -0.040 4.301 4.340 0.002 0.000 0.206 351 L C 2.960 179.883 176.870 0.087 0.000 1.074 351 L CA 1.181 56.048 54.840 0.045 0.000 0.745 351 L CB -0.424 41.651 42.059 0.026 0.000 0.898 351 L HN 0.221 nan 8.230 nan 0.000 0.433 352 Q N 0.025 119.879 119.800 0.089 0.000 2.083 352 Q HA -0.171 4.170 4.340 0.002 0.000 0.198 352 Q C 2.340 178.530 176.000 0.316 0.000 0.969 352 Q CA 1.629 57.536 55.803 0.174 0.000 0.838 352 Q CB -0.069 28.779 28.738 0.183 0.000 0.900 352 Q HN 0.320 nan 8.270 nan 0.000 0.436 353 F N 0.761 120.766 119.950 0.092 0.000 2.126 353 F HA -0.153 4.375 4.527 0.002 0.000 0.299 353 F C 2.523 178.367 175.800 0.075 0.000 1.096 353 F CA 0.891 58.949 58.000 0.096 0.000 1.255 353 F CB -1.391 37.676 39.000 0.112 0.000 0.997 353 F HN 0.148 nan 8.300 nan 0.000 0.479 354 A N -0.314 122.665 122.820 0.265 0.000 1.883 354 A HA -0.263 4.058 4.320 0.002 0.000 0.217 354 A C 2.248 179.912 177.584 0.133 0.000 1.186 354 A CA 1.878 54.016 52.037 0.168 0.000 0.624 354 A CB -0.976 18.107 19.000 0.139 0.000 0.822 354 A HN 0.434 nan 8.150 nan 0.000 0.444 355 E N -0.556 119.721 120.200 0.128 0.000 2.077 355 E HA -0.246 4.105 4.350 0.002 0.000 0.193 355 E C 1.256 177.904 176.600 0.080 0.000 0.989 355 E CA 1.321 57.780 56.400 0.098 0.000 0.800 355 E CB -0.161 29.592 29.700 0.089 0.000 0.746 355 E HN 0.473 nan 8.360 nan 0.000 0.452 356 D N -0.678 119.773 120.400 0.085 0.000 2.350 356 D HA -0.036 4.605 4.640 0.002 0.000 0.216 356 D C 0.921 177.246 176.300 0.042 0.000 0.968 356 D CA 0.864 54.892 54.000 0.045 0.000 0.894 356 D CB 0.195 41.018 40.800 0.039 0.000 0.909 356 D HN 0.265 nan 8.370 nan 0.000 0.520 357 A N -0.075 122.782 122.820 0.062 0.000 2.387 357 A HA 0.234 4.555 4.320 0.002 0.000 0.234 357 A C 0.938 178.559 177.584 0.061 0.000 1.253 357 A CA -0.081 51.988 52.037 0.053 0.000 0.894 357 A CB 0.061 19.096 19.000 0.059 0.000 0.963 357 A HN 0.162 nan 8.150 nan 0.000 0.508 358 S N -1.300 114.443 115.700 0.071 0.000 2.718 358 S HA 0.572 5.043 4.470 0.002 0.000 0.300 358 S C -2.266 172.379 174.600 0.075 0.000 1.117 358 S CA -1.293 56.953 58.200 0.076 0.000 1.002 358 S CB 1.421 64.671 63.200 0.084 0.000 1.092 358 S HN -0.055 nan 8.310 nan 0.000 0.542 359 P HA 0.002 nan 4.420 nan 0.000 0.223 359 P C 0.975 178.322 177.300 0.079 0.000 1.144 359 P CA 1.005 64.144 63.100 0.065 0.000 0.783 359 P CB -0.018 31.710 31.700 0.047 0.000 0.771 360 M N -1.522 118.129 119.600 0.084 0.000 2.556 360 M HA 0.170 4.651 4.480 0.002 0.000 0.245 360 M C 0.903 177.348 176.300 0.242 0.000 1.128 360 M CA -0.894 54.468 55.300 0.103 0.000 1.069 360 M CB -1.529 31.098 32.600 0.045 0.000 1.469 360 M HN -0.223 nan 8.290 nan 0.000 0.494 361 A N 2.708 125.638 122.820 0.183 0.000 2.587 361 A HA 0.187 4.508 4.320 0.002 0.000 0.235 361 A C 0.171 177.924 177.584 0.281 0.000 1.044 361 A CA 0.603 52.736 52.037 0.160 0.000 0.754 361 A CB -0.470 18.584 19.000 0.091 0.000 0.968 361 A HN 0.675 nan 8.150 nan 0.000 0.509 362 H N -0.219 118.946 119.070 0.159 0.000 3.046 362 H HA 0.615 5.173 4.556 0.002 0.000 0.361 362 H C -3.438 171.996 175.328 0.176 0.000 1.235 362 H CA -2.394 53.778 56.048 0.207 0.000 1.146 362 H CB 0.699 30.670 29.762 0.348 0.000 1.859 362 H HN 0.361 nan 8.280 nan 0.000 0.548 363 P HA 0.113 nan 4.420 nan 0.000 0.274 363 P C 1.733 179.158 177.300 0.208 0.000 1.237 363 P CA -0.506 62.690 63.100 0.161 0.000 0.793 363 P CB 1.126 32.928 31.700 0.170 0.000 0.977 364 I N -1.198 119.450 120.570 0.129 0.000 2.423 364 I HA -0.132 4.040 4.170 0.002 0.000 0.254 364 I C 1.081 177.326 176.117 0.213 0.000 1.151 364 I CA 1.286 62.667 61.300 0.135 0.000 1.421 364 I CB -0.299 37.693 38.000 -0.013 0.000 1.079 364 I HN 0.162 nan 8.210 nan 0.000 0.431 365 R N 2.714 123.361 120.500 0.246 0.000 2.278 365 R HA 0.437 4.778 4.340 0.002 0.000 0.322 365 R C -2.575 173.878 176.300 0.255 0.000 1.058 365 R CA -2.084 54.178 56.100 0.270 0.000 0.991 365 R CB 0.668 31.153 30.300 0.309 0.000 1.140 365 R HN 0.086 nan 8.270 nan 0.000 0.518 366 P HA 0.026 nan 4.420 nan 0.000 0.269 366 P C -0.487 176.935 177.300 0.202 0.000 1.215 366 P CA -0.029 63.214 63.100 0.237 0.000 0.780 366 P CB 0.826 32.552 31.700 0.044 0.000 0.898 367 D N 0.167 120.638 120.400 0.118 0.000 2.388 367 D HA 0.125 4.766 4.640 0.002 0.000 0.208 367 D C 0.543 176.806 176.300 -0.061 0.000 1.035 367 D CA 1.011 55.006 54.000 -0.009 0.000 0.875 367 D CB 0.354 41.209 40.800 0.091 0.000 0.984 367 D HN 0.295 nan 8.370 nan 0.000 0.508 368 M N 1.064 120.677 119.600 0.022 0.000 2.277 368 M HA 0.366 4.848 4.480 0.002 0.000 0.282 368 M C -2.341 173.862 176.300 -0.162 0.000 1.074 368 M CA -0.469 54.751 55.300 -0.133 0.000 0.954 368 M CB 2.491 35.042 32.600 -0.081 0.000 1.672 368 M HN -0.397 nan 8.290 nan 0.000 0.471 369 V N 6.006 125.804 119.914 -0.193 0.000 2.668 369 V HA 0.388 4.509 4.120 0.002 0.000 0.304 369 V C 0.235 176.267 176.094 -0.102 0.000 1.071 369 V CA -0.394 61.714 62.300 -0.320 0.000 0.894 369 V CB 2.100 33.535 31.823 -0.646 0.000 1.008 369 V HN 0.983 nan 8.190 nan 0.000 0.425 370 I N 1.716 122.323 120.570 0.061 0.000 2.512 370 I HA 0.181 4.352 4.170 0.002 0.000 0.247 370 I C 0.784 176.954 176.117 0.089 0.000 1.094 370 I CA 0.763 62.116 61.300 0.087 0.000 1.427 370 I CB 0.434 38.533 38.000 0.165 0.000 1.149 370 I HN 0.601 nan 8.210 nan 0.000 0.438 371 E N 0.733 121.024 120.200 0.153 0.000 2.182 371 E HA 0.173 4.524 4.350 0.002 0.000 0.258 371 E C 0.386 177.089 176.600 0.170 0.000 0.879 371 E CA -0.410 56.060 56.400 0.115 0.000 0.754 371 E CB 1.406 31.165 29.700 0.098 0.000 1.162 371 E HN 0.073 nan 8.360 nan 0.000 0.419 372 M N 3.898 123.530 119.600 0.054 0.000 2.279 372 M HA -0.032 4.450 4.480 0.002 0.000 0.264 372 M C 0.581 176.989 176.300 0.179 0.000 1.062 372 M CA 1.502 56.824 55.300 0.036 0.000 1.099 372 M CB -0.259 32.224 32.600 -0.196 0.000 1.394 372 M HN 0.458 nan 8.290 nan 0.000 0.426 373 N N 0.489 119.244 118.700 0.092 0.000 2.443 373 N HA -0.105 4.636 4.740 0.002 0.000 0.184 373 N C 0.851 176.433 175.510 0.121 0.000 1.037 373 N CA 0.806 53.903 53.050 0.079 0.000 0.896 373 N CB -0.649 37.790 38.487 -0.081 0.000 0.959 373 N HN 0.449 nan 8.380 nan 0.000 0.442 374 N N -0.129 118.625 118.700 0.090 0.000 2.515 374 N HA -0.000 4.741 4.740 0.002 0.000 0.185 374 N C 0.170 175.451 175.510 -0.381 0.000 1.109 374 N CA 0.337 53.306 53.050 -0.136 0.000 0.903 374 N CB -0.087 38.259 38.487 -0.235 0.000 0.969 374 N HN 0.264 nan 8.380 nan 0.000 0.450 375 F N -1.069 118.869 119.950 -0.020 0.000 2.668 375 F HA 0.236 4.764 4.527 0.002 0.000 0.301 375 F C -0.202 175.520 175.800 -0.130 0.000 1.106 375 F CA -0.523 57.393 58.000 -0.140 0.000 1.289 375 F CB 0.034 38.888 39.000 -0.243 0.000 1.006 375 F HN -0.115 nan 8.300 nan 0.000 0.535 376 Y N 1.385 121.746 120.300 0.102 0.000 2.667 376 Y HA 0.241 4.792 4.550 0.002 0.000 0.340 376 Y C 0.944 176.853 175.900 0.016 0.000 1.303 376 Y CA -0.879 57.307 58.100 0.143 0.000 1.769 376 Y CB -0.569 37.909 38.460 0.030 0.000 1.804 376 Y HN -0.031 nan 8.280 nan 0.000 0.451 377 T N -3.211 111.471 114.554 0.214 0.000 2.942 377 T HA 0.377 4.728 4.350 0.002 0.000 0.289 377 T C 1.085 175.898 174.700 0.189 0.000 1.044 377 T CA -0.897 61.305 62.100 0.169 0.000 1.023 377 T CB 1.255 70.299 68.868 0.292 0.000 1.123 377 T HN 0.395 nan 8.240 nan 0.000 0.512 378 L N 0.476 121.768 121.223 0.115 0.000 2.089 378 L HA -0.179 4.163 4.340 0.002 0.000 0.213 378 L C 2.978 179.950 176.870 0.170 0.000 1.079 378 L CA 1.837 56.753 54.840 0.126 0.000 0.758 378 L CB -1.156 40.958 42.059 0.090 0.000 0.891 378 L HN 0.847 nan 8.230 nan 0.000 0.433 379 T N -0.957 113.686 114.554 0.149 0.000 2.701 379 T HA -0.146 4.205 4.350 0.002 0.000 0.263 379 T C 1.975 176.776 174.700 0.168 0.000 1.040 379 T CA 1.470 63.620 62.100 0.085 0.000 1.147 379 T CB -0.250 68.494 68.868 -0.206 0.000 0.865 379 T HN 0.059 nan 8.240 nan 0.000 0.426 380 V N 0.105 120.192 119.914 0.288 0.000 2.343 380 V HA -0.164 3.957 4.120 0.002 0.000 0.247 380 V C 2.089 178.303 176.094 0.199 0.000 1.051 380 V CA 1.622 64.076 62.300 0.257 0.000 1.036 380 V CB -0.656 31.343 31.823 0.293 0.000 0.654 380 V HN 0.453 nan 8.190 nan 0.000 0.451 381 Y N 0.358 120.728 120.300 0.116 0.000 2.159 381 Y HA -0.022 4.529 4.550 0.002 0.000 0.285 381 Y C 2.583 178.548 175.900 0.108 0.000 1.106 381 Y CA 1.488 59.663 58.100 0.125 0.000 1.095 381 Y CB -0.542 37.993 38.460 0.124 0.000 1.015 381 Y HN 0.167 nan 8.280 nan 0.000 0.491 382 E N 0.227 120.595 120.200 0.280 0.000 2.051 382 E HA -0.112 4.240 4.350 0.002 0.000 0.189 382 E C 2.072 178.760 176.600 0.147 0.000 0.979 382 E CA 1.109 57.621 56.400 0.186 0.000 0.803 382 E CB -0.152 29.636 29.700 0.146 0.000 0.761 382 E HN 0.226 nan 8.360 nan 0.000 0.451 383 K N 0.104 120.587 120.400 0.139 0.000 2.097 383 K HA -0.099 4.222 4.320 0.002 0.000 0.206 383 K C 2.112 178.723 176.600 0.019 0.000 1.049 383 K CA 1.380 57.725 56.287 0.097 0.000 0.933 383 K CB -0.406 32.158 32.500 0.107 0.000 0.717 383 K HN 0.210 nan 8.250 nan 0.000 0.442 384 G N 0.626 109.445 108.800 0.032 0.000 2.476 384 G HA2 -0.330 3.631 3.960 0.002 0.000 0.218 384 G HA3 -0.330 3.631 3.960 0.002 0.000 0.218 384 G C 1.567 176.457 174.900 -0.017 0.000 1.164 384 G CA 1.128 46.212 45.100 -0.027 0.000 0.768 384 G HN 0.457 nan 8.290 nan 0.000 0.560 385 A N 0.476 123.333 122.820 0.062 0.000 1.933 385 A HA -0.006 4.316 4.320 0.002 0.000 0.218 385 A C 2.247 179.883 177.584 0.087 0.000 1.175 385 A CA 1.932 54.044 52.037 0.125 0.000 0.628 385 A CB -0.287 18.832 19.000 0.198 0.000 0.814 385 A HN 0.308 nan 8.150 nan 0.000 0.444 386 E N -0.048 120.178 120.200 0.045 0.000 2.110 386 E HA -0.113 4.238 4.350 0.002 0.000 0.193 386 E C 2.175 178.680 176.600 -0.158 0.000 0.988 386 E CA 1.257 57.647 56.400 -0.017 0.000 0.804 386 E CB -0.572 29.132 29.700 0.007 0.000 0.745 386 E HN 0.419 nan 8.360 nan 0.000 0.458 387 V N 1.798 121.589 119.914 -0.205 0.000 2.358 387 V HA -0.223 3.898 4.120 0.002 0.000 0.246 387 V C 2.360 178.434 176.094 -0.034 0.000 1.047 387 V CA 1.098 63.249 62.300 -0.249 0.000 1.035 387 V CB -0.372 31.229 31.823 -0.371 0.000 0.658 387 V HN 0.189 nan 8.190 nan 0.000 0.452 388 I N 0.242 120.772 120.570 -0.067 0.000 2.208 388 I HA -0.246 3.925 4.170 0.002 0.000 0.245 388 I C 2.572 178.467 176.117 -0.370 0.000 1.097 388 I CA 1.794 63.014 61.300 -0.134 0.000 1.363 388 I CB -1.279 36.565 38.000 -0.261 0.000 1.051 388 I HN 0.334 nan 8.210 nan 0.000 0.413 389 R N 0.439 120.735 120.500 -0.340 0.000 2.120 389 R HA -0.124 4.217 4.340 0.002 0.000 0.234 389 R C 2.368 178.601 176.300 -0.113 0.000 1.123 389 R CA 1.139 57.112 56.100 -0.212 0.000 0.975 389 R CB -0.060 30.290 30.300 0.084 0.000 0.866 389 R HN 0.248 nan 8.270 nan 0.000 0.446 390 M N 0.089 119.621 119.600 -0.114 0.000 2.117 390 M HA -0.177 4.304 4.480 0.002 0.000 0.262 390 M C 2.147 178.331 176.300 -0.194 0.000 1.065 390 M CA 1.619 56.857 55.300 -0.103 0.000 1.114 390 M CB -0.188 32.384 32.600 -0.046 0.000 1.361 390 M HN 0.199 nan 8.290 nan 0.000 0.408 391 I N -0.986 119.444 120.570 -0.234 0.000 2.163 391 I HA -0.367 3.804 4.170 0.002 0.000 0.243 391 I C 2.684 178.761 176.117 -0.067 0.000 1.085 391 I CA 1.356 62.481 61.300 -0.291 0.000 1.347 391 I CB -0.872 37.058 38.000 -0.117 0.000 1.044 391 I HN 0.406 nan 8.210 nan 0.000 0.408 392 H N 1.022 120.002 119.070 -0.151 0.000 2.352 392 H HA -0.176 4.382 4.556 0.002 0.000 0.299 392 H C 2.181 177.425 175.328 -0.139 0.000 1.097 392 H CA 2.235 58.132 56.048 -0.251 0.000 1.311 392 H CB 0.026 29.426 29.762 -0.605 0.000 1.377 392 H HN 0.253 nan 8.280 nan 0.000 0.504 393 T N 1.375 115.916 114.554 -0.021 0.000 2.746 393 T HA -0.095 4.257 4.350 0.002 0.000 0.267 393 T C 2.431 177.077 174.700 -0.090 0.000 1.039 393 T CA 1.224 63.302 62.100 -0.038 0.000 1.142 393 T CB -0.216 68.638 68.868 -0.024 0.000 0.866 393 T HN 0.236 nan 8.240 nan 0.000 0.444 394 L N -0.196 120.950 121.223 -0.129 0.000 2.156 394 L HA 0.014 4.356 4.340 0.002 0.000 0.208 394 L C 2.061 178.865 176.870 -0.109 0.000 1.095 394 L CA 0.682 55.447 54.840 -0.125 0.000 0.770 394 L CB -0.245 41.679 42.059 -0.225 0.000 0.914 394 L HN 0.209 nan 8.230 nan 0.000 0.439 395 L N -1.106 120.038 121.223 -0.132 0.000 2.357 395 L HA 0.325 4.666 4.340 0.002 0.000 0.211 395 L C 1.063 177.853 176.870 -0.134 0.000 1.075 395 L CA 0.777 55.551 54.840 -0.110 0.000 0.830 395 L CB -0.475 41.541 42.059 -0.072 0.000 0.996 395 L HN 0.253 nan 8.230 nan 0.000 0.467 396 G N -0.178 108.479 108.800 -0.237 0.000 2.733 396 G HA2 -0.287 3.674 3.960 0.002 0.000 0.686 396 G HA3 -0.287 3.674 3.960 0.002 0.000 0.686 396 G C 0.475 175.166 174.900 -0.350 0.000 1.373 396 G CA 0.173 45.096 45.100 -0.294 0.000 0.838 396 G HN 0.200 nan 8.290 nan 0.000 0.588 397 E N -0.042 119.959 120.200 -0.332 0.000 2.058 397 E HA -0.168 4.183 4.350 0.002 0.000 0.194 397 E C 2.168 178.752 176.600 -0.025 0.000 0.997 397 E CA 2.479 58.793 56.400 -0.143 0.000 0.801 397 E CB -0.192 29.507 29.700 -0.001 0.000 0.746 397 E HN 0.720 nan 8.360 nan 0.000 0.450 398 E N -0.451 119.721 120.200 -0.047 0.000 2.031 398 E HA -0.225 4.126 4.350 0.002 0.000 0.193 398 E C 1.864 178.450 176.600 -0.025 0.000 0.994 398 E CA 1.323 57.704 56.400 -0.032 0.000 0.800 398 E CB -0.148 29.529 29.700 -0.037 0.000 0.752 398 E HN 0.237 nan 8.360 nan 0.000 0.447 399 N N 0.101 118.780 118.700 -0.036 0.000 2.120 399 N HA -0.175 4.566 4.740 0.002 0.000 0.188 399 N C 1.654 177.142 175.510 -0.037 0.000 1.024 399 N CA 1.023 54.044 53.050 -0.047 0.000 0.852 399 N CB -0.507 37.943 38.487 -0.061 0.000 1.003 399 N HN 0.210 nan 8.380 nan 0.000 0.424 400 F N 2.293 122.154 119.950 -0.148 0.000 2.095 400 F HA -0.190 4.338 4.527 0.002 0.000 0.298 400 F C 2.364 178.129 175.800 -0.058 0.000 1.104 400 F CA 1.382 59.317 58.000 -0.108 0.000 1.232 400 F CB -0.002 38.960 39.000 -0.063 0.000 0.987 400 F HN -0.015 nan 8.300 nan 0.000 0.475 401 Q N 0.731 120.600 119.800 0.114 0.000 2.124 401 Q HA -0.198 4.144 4.340 0.002 0.000 0.202 401 Q C 2.206 178.175 176.000 -0.051 0.000 0.977 401 Q CA 1.515 57.325 55.803 0.010 0.000 0.850 401 Q CB -0.522 28.198 28.738 -0.029 0.000 0.901 401 Q HN 0.494 nan 8.270 nan 0.000 0.429 402 K N -0.142 120.219 120.400 -0.064 0.000 2.020 402 K HA -0.160 4.161 4.320 0.002 0.000 0.212 402 K C 2.143 178.671 176.600 -0.119 0.000 1.050 402 K CA 1.413 57.655 56.287 -0.074 0.000 0.929 402 K CB -0.489 31.968 32.500 -0.072 0.000 0.714 402 K HN 0.325 nan 8.250 nan 0.000 0.443 403 G N 1.213 109.885 108.800 -0.214 0.000 2.440 403 G HA2 -0.256 3.705 3.960 0.002 0.000 0.218 403 G HA3 -0.256 3.705 3.960 0.002 0.000 0.218 403 G C 1.449 176.159 174.900 -0.318 0.000 1.154 403 G CA 0.752 45.657 45.100 -0.325 0.000 0.767 403 G HN 0.076 nan 8.290 nan 0.000 0.552 404 M N 0.353 119.768 119.600 -0.308 0.000 2.080 404 M HA -0.109 4.372 4.480 0.002 0.000 0.260 404 M C 2.636 178.921 176.300 -0.025 0.000 1.068 404 M CA 1.335 56.544 55.300 -0.151 0.000 1.109 404 M CB -1.304 31.356 32.600 0.102 0.000 1.342 404 M HN 0.361 nan 8.290 nan 0.000 0.405 405 Q N -0.350 119.480 119.800 0.051 0.000 2.084 405 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 405 Q C 2.098 178.145 176.000 0.078 0.000 0.978 405 Q CA 1.136 57.011 55.803 0.119 0.000 0.844 405 Q CB -0.311 28.459 28.738 0.054 0.000 0.898 405 Q HN 0.305 nan 8.270 nan 0.000 0.426 406 L N -0.208 121.018 121.223 0.004 0.000 2.056 406 L HA -0.189 4.152 4.340 0.002 0.000 0.207 406 L C 2.143 179.031 176.870 0.029 0.000 1.078 406 L CA 1.689 56.526 54.840 -0.005 0.000 0.749 406 L CB -0.752 41.279 42.059 -0.046 0.000 0.901 406 L HN 0.217 nan 8.230 nan 0.000 0.433 407 Y N -0.305 119.913 120.300 -0.136 0.000 2.081 407 Y HA -0.339 4.212 4.550 0.002 0.000 0.280 407 Y C 2.197 178.101 175.900 0.007 0.000 1.163 407 Y CA 2.108 60.158 58.100 -0.082 0.000 1.135 407 Y CB -0.781 37.513 38.460 -0.277 0.000 0.970 407 Y HN 0.225 nan 8.280 nan 0.000 0.498 408 F N 0.731 120.717 119.950 0.060 0.000 2.134 408 F HA -0.141 4.387 4.527 0.002 0.000 0.299 408 F C 2.453 178.244 175.800 -0.015 0.000 1.097 408 F CA 1.680 59.674 58.000 -0.010 0.000 1.264 408 F CB -1.101 37.936 39.000 0.061 0.000 1.001 408 F HN 0.113 nan 8.300 nan 0.000 0.479 409 E N 0.113 120.405 120.200 0.153 0.000 2.049 409 E HA -0.259 4.093 4.350 0.002 0.000 0.198 409 E C 2.377 178.955 176.600 -0.038 0.000 1.007 409 E CA 1.685 58.119 56.400 0.056 0.000 0.809 409 E CB -0.244 29.469 29.700 0.022 0.000 0.749 409 E HN 0.395 nan 8.360 nan 0.000 0.450 410 R N -0.583 119.819 120.500 -0.163 0.000 2.092 410 R HA -0.058 4.283 4.340 0.002 0.000 0.231 410 R C 1.839 177.838 176.300 -0.501 0.000 1.119 410 R CA 1.067 56.916 56.100 -0.417 0.000 0.970 410 R CB 0.006 29.869 30.300 -0.729 0.000 0.864 410 R HN 0.327 nan 8.270 nan 0.000 0.440 411 H N -1.082 117.952 119.070 -0.061 0.000 2.986 411 H HA 0.102 4.659 4.556 0.002 0.000 0.267 411 H C -0.310 174.997 175.328 -0.036 0.000 1.072 411 H CA -0.526 55.467 56.048 -0.092 0.000 1.202 411 H CB 0.060 29.684 29.762 -0.228 0.000 1.535 411 H HN 0.104 nan 8.280 nan 0.000 0.522 412 D N 0.729 121.202 120.400 0.121 0.000 2.583 412 D HA 0.076 4.718 4.640 0.002 0.000 0.232 412 D C 1.448 177.811 176.300 0.105 0.000 1.128 412 D CA 1.931 56.028 54.000 0.163 0.000 0.859 412 D CB 0.325 41.258 40.800 0.222 0.000 1.169 412 D HN 0.558 nan 8.370 nan 0.000 0.481 413 G N 2.132 110.980 108.800 0.081 0.000 2.148 413 G HA2 -0.206 3.755 3.960 0.002 0.000 0.254 413 G HA3 -0.206 3.755 3.960 0.002 0.000 0.254 413 G C 0.260 175.199 174.900 0.065 0.000 0.981 413 G CA 0.704 45.849 45.100 0.076 0.000 0.670 413 G HN 1.168 nan 8.290 nan 0.000 0.528 414 S N -1.349 114.390 115.700 0.066 0.000 2.704 414 S HA 0.905 5.376 4.470 0.002 0.000 0.296 414 S C -0.214 174.413 174.600 0.045 0.000 1.138 414 S CA 0.187 58.425 58.200 0.062 0.000 0.875 414 S CB 2.154 65.408 63.200 0.089 0.000 1.151 414 S HN 1.889 nan 8.310 nan 0.000 0.500 415 A N 0.388 123.225 122.820 0.028 0.000 2.260 415 A HA 0.870 5.191 4.320 0.002 0.000 0.314 415 A C 0.201 177.765 177.584 -0.033 0.000 1.257 415 A CA -0.328 51.706 52.037 -0.004 0.000 0.871 415 A CB 0.154 19.143 19.000 -0.017 0.000 1.166 415 A HN 1.556 nan 8.150 nan 0.000 0.522 416 A N 1.759 124.543 122.820 -0.060 0.000 2.347 416 A HA 0.962 5.283 4.320 0.002 0.000 0.301 416 A C 0.329 177.846 177.584 -0.112 0.000 1.163 416 A CA 0.059 52.018 52.037 -0.129 0.000 0.860 416 A CB 0.903 19.753 19.000 -0.249 0.000 1.367 416 A HN 1.534 nan 8.150 nan 0.000 0.461 417 T N -3.541 110.938 114.554 -0.125 0.000 2.942 417 T HA 0.384 4.735 4.350 0.002 0.000 0.289 417 T C 0.989 175.652 174.700 -0.062 0.000 1.044 417 T CA -0.044 61.997 62.100 -0.098 0.000 1.023 417 T CB 0.673 69.469 68.868 -0.119 0.000 1.123 417 T HN 0.629 nan 8.240 nan 0.000 0.512 418 C N 0.685 119.947 119.300 -0.063 0.000 2.391 418 C HA -0.099 4.362 4.460 0.002 0.000 0.276 418 C C 2.500 177.367 174.990 -0.205 0.000 1.217 418 C CA 1.652 60.597 59.018 -0.121 0.000 1.766 418 C CB -1.432 26.221 27.740 -0.145 0.000 2.046 418 C HN 1.138 nan 8.230 nan 0.000 0.475 419 D N 0.483 120.774 120.400 -0.181 0.000 2.144 419 D HA -0.129 4.512 4.640 0.002 0.000 0.199 419 D C 1.655 177.911 176.300 -0.073 0.000 0.984 419 D CA 1.274 55.186 54.000 -0.147 0.000 0.834 419 D CB -0.209 40.534 40.800 -0.094 0.000 0.955 419 D HN 0.412 nan 8.370 nan 0.000 0.465 420 D N -0.546 119.822 120.400 -0.053 0.000 2.123 420 D HA -0.187 4.454 4.640 0.002 0.000 0.196 420 D C 1.753 178.083 176.300 0.051 0.000 0.992 420 D CA 0.622 54.609 54.000 -0.020 0.000 0.833 420 D CB -0.465 40.183 40.800 -0.254 0.000 0.954 420 D HN 0.307 nan 8.370 nan 0.000 0.455 421 F N 1.541 121.408 119.950 -0.138 0.000 2.102 421 F HA -0.200 4.329 4.527 0.003 0.000 0.298 421 F C 2.219 177.892 175.800 -0.212 0.000 1.105 421 F CA 1.005 58.838 58.000 -0.278 0.000 1.239 421 F CB -0.313 38.411 39.000 -0.461 0.000 0.991 421 F HN -0.227 nan 8.300 nan 0.000 0.474 422 V N 0.729 120.546 119.914 -0.162 0.000 2.343 422 V HA -0.336 3.785 4.120 0.002 0.000 0.247 422 V C 2.402 178.379 176.094 -0.194 0.000 1.051 422 V CA 2.237 64.424 62.300 -0.188 0.000 1.036 422 V CB -0.939 30.854 31.823 -0.051 0.000 0.654 422 V HN 0.413 nan 8.190 nan 0.000 0.451 423 Q N -0.247 119.485 119.800 -0.114 0.000 2.077 423 Q HA -0.269 4.072 4.340 0.002 0.000 0.206 423 Q C 2.474 178.413 176.000 -0.102 0.000 0.989 423 Q CA 2.056 57.819 55.803 -0.067 0.000 0.853 423 Q CB -0.458 28.278 28.738 -0.003 0.000 0.907 423 Q HN 0.687 nan 8.270 nan 0.000 0.418 424 A N 0.794 123.538 122.820 -0.126 0.000 1.883 424 A HA -0.210 4.112 4.320 0.002 0.000 0.217 424 A C 2.069 179.491 177.584 -0.270 0.000 1.186 424 A CA 1.488 53.437 52.037 -0.147 0.000 0.624 424 A CB -0.449 18.506 19.000 -0.076 0.000 0.822 424 A HN 0.265 nan 8.150 nan 0.000 0.444 425 M N -0.849 118.482 119.600 -0.448 0.000 2.117 425 M HA -0.153 4.328 4.480 0.002 0.000 0.262 425 M C 2.115 178.262 176.300 -0.255 0.000 1.065 425 M CA 1.971 57.006 55.300 -0.443 0.000 1.114 425 M CB -1.237 31.012 32.600 -0.584 0.000 1.361 425 M HN 0.717 nan 8.290 nan 0.000 0.408 426 E N 0.403 120.487 120.200 -0.193 0.000 2.051 426 E HA -0.218 4.134 4.350 0.002 0.000 0.192 426 E C 1.418 177.966 176.600 -0.087 0.000 0.991 426 E CA 1.497 57.830 56.400 -0.110 0.000 0.799 426 E CB 0.159 29.819 29.700 -0.067 0.000 0.748 426 E HN 0.362 nan 8.360 nan 0.000 0.449 427 D N 0.123 120.471 120.400 -0.086 0.000 2.144 427 D HA -0.115 4.526 4.640 0.002 0.000 0.200 427 D C 1.762 178.020 176.300 -0.069 0.000 0.978 427 D CA 1.337 55.300 54.000 -0.063 0.000 0.833 427 D CB -0.271 40.499 40.800 -0.051 0.000 0.961 427 D HN 0.304 nan 8.370 nan 0.000 0.470 428 A N 0.610 123.372 122.820 -0.097 0.000 1.968 428 A HA -0.093 4.228 4.320 0.002 0.000 0.217 428 A C 2.255 179.789 177.584 -0.083 0.000 1.169 428 A CA 1.916 53.898 52.037 -0.092 0.000 0.638 428 A CB -0.265 18.663 19.000 -0.120 0.000 0.812 428 A HN 0.306 nan 8.150 nan 0.000 0.446 429 S N -1.534 114.109 115.700 -0.094 0.000 2.492 429 S HA 0.054 4.525 4.470 0.002 0.000 0.218 429 S C 0.651 175.218 174.600 -0.055 0.000 1.016 429 S CA 0.660 58.813 58.200 -0.079 0.000 0.916 429 S CB -0.533 62.608 63.200 -0.098 0.000 0.791 429 S HN 0.623 nan 8.310 nan 0.000 0.513 430 N N -0.111 118.559 118.700 -0.050 0.000 2.741 430 N HA -0.123 4.618 4.740 0.002 0.000 0.251 430 N C -0.948 174.549 175.510 -0.021 0.000 1.112 430 N CA 0.622 53.653 53.050 -0.031 0.000 0.750 430 N CB -1.713 36.760 38.487 -0.023 0.000 1.119 430 N HN 0.353 nan 8.380 nan 0.000 0.561 431 V N 0.794 120.689 119.914 -0.032 0.000 2.432 431 V HA 0.161 4.282 4.120 0.002 0.000 0.275 431 V C 0.461 176.559 176.094 0.006 0.000 1.043 431 V CA -0.499 61.794 62.300 -0.013 0.000 0.925 431 V CB 1.497 33.296 31.823 -0.039 0.000 0.985 431 V HN 0.125 nan 8.190 nan 0.000 0.466 432 D N 4.499 124.929 120.400 0.050 0.000 2.358 432 D HA 0.156 4.797 4.640 0.002 0.000 0.258 432 D C 0.409 176.793 176.300 0.139 0.000 1.223 432 D CA 0.256 54.304 54.000 0.081 0.000 0.886 432 D CB 0.780 41.633 40.800 0.089 0.000 1.120 432 D HN 0.468 nan 8.370 nan 0.000 0.482 433 L N 3.018 124.316 121.223 0.126 0.000 2.910 433 L HA 0.124 4.465 4.340 0.002 0.000 0.252 433 L C 1.909 178.951 176.870 0.288 0.000 1.195 433 L CA -0.271 54.695 54.840 0.210 0.000 1.003 433 L CB 0.111 42.224 42.059 0.090 0.000 1.328 433 L HN 0.278 nan 8.230 nan 0.000 0.540 434 S N -0.412 115.424 115.700 0.226 0.000 2.351 434 S HA -0.271 4.200 4.470 0.002 0.000 0.220 434 S C 1.881 176.653 174.600 0.288 0.000 1.035 434 S CA 1.689 60.010 58.200 0.202 0.000 1.031 434 S CB -0.314 62.967 63.200 0.134 0.000 0.928 434 S HN 0.591 nan 8.310 nan 0.000 0.433 435 H N -0.673 118.518 119.070 0.202 0.000 2.353 435 H HA -0.114 4.443 4.556 0.002 0.000 0.300 435 H C 2.114 177.607 175.328 0.275 0.000 1.090 435 H CA 1.371 57.533 56.048 0.190 0.000 1.327 435 H CB -0.212 29.641 29.762 0.152 0.000 1.383 435 H HN 0.401 nan 8.280 nan 0.000 0.508 436 F N 1.914 122.047 119.950 0.305 0.000 2.192 436 F HA -0.210 4.319 4.527 0.002 0.000 0.301 436 F C 2.453 178.476 175.800 0.372 0.000 1.079 436 F CA 1.395 59.577 58.000 0.303 0.000 1.303 436 F CB -0.199 38.944 39.000 0.239 0.000 1.024 436 F HN 0.043 nan 8.300 nan 0.000 0.494 437 R N -0.230 120.508 120.500 0.396 0.000 2.170 437 R HA -0.223 4.118 4.340 0.002 0.000 0.242 437 R C 2.318 178.772 176.300 0.256 0.000 1.145 437 R CA 1.363 57.664 56.100 0.336 0.000 0.984 437 R CB -0.472 29.953 30.300 0.210 0.000 0.869 437 R HN 0.303 nan 8.270 nan 0.000 0.455 438 R N 0.061 120.633 120.500 0.121 0.000 2.159 438 R HA -0.183 4.158 4.340 0.002 0.000 0.237 438 R C 1.339 177.603 176.300 -0.061 0.000 1.131 438 R CA 1.458 57.568 56.100 0.015 0.000 0.982 438 R CB -0.193 30.085 30.300 -0.035 0.000 0.868 438 R HN 0.321 nan 8.270 nan 0.000 0.453 439 W N -0.675 120.517 121.300 -0.181 0.000 2.364 439 W HA -0.198 4.463 4.660 0.002 0.000 0.281 439 W C 1.393 177.788 176.519 -0.207 0.000 1.219 439 W CA 0.737 57.908 57.345 -0.290 0.000 1.220 439 W CB -0.181 28.903 29.460 -0.628 0.000 1.127 439 W HN 0.179 nan 8.180 nan 0.000 0.556 440 Y N -1.437 118.944 120.300 0.136 0.000 2.395 440 Y HA -0.102 4.449 4.550 0.002 0.000 0.293 440 Y C 2.403 178.365 175.900 0.104 0.000 1.123 440 Y CA 1.300 59.475 58.100 0.125 0.000 1.227 440 Y CB -0.355 38.176 38.460 0.118 0.000 1.012 440 Y HN -0.221 nan 8.280 nan 0.000 0.552 441 S N -1.201 114.625 115.700 0.210 0.000 2.483 441 S HA 0.003 4.474 4.470 0.002 0.000 0.221 441 S C 0.607 175.262 174.600 0.092 0.000 1.030 441 S CA -0.145 58.139 58.200 0.140 0.000 0.925 441 S CB 0.174 63.438 63.200 0.107 0.000 0.795 441 S HN 0.302 nan 8.310 nan 0.000 0.511 442 Q N 2.114 121.944 119.800 0.050 0.000 2.307 442 Q HA 0.441 4.782 4.340 0.002 0.000 0.262 442 Q C -0.396 175.617 176.000 0.022 0.000 0.961 442 Q CA -0.535 55.273 55.803 0.007 0.000 0.882 442 Q CB 1.089 29.779 28.738 -0.080 0.000 1.264 442 Q HN 0.374 nan 8.270 nan 0.000 0.446 443 S N 2.365 118.086 115.700 0.035 0.000 2.707 443 S HA 0.923 5.394 4.470 0.002 0.000 0.276 443 S C 0.300 174.904 174.600 0.007 0.000 1.179 443 S CA 0.019 58.241 58.200 0.037 0.000 0.992 443 S CB 1.275 64.514 63.200 0.066 0.000 1.030 443 S HN 1.183 nan 8.310 nan 0.000 0.554 444 G N -0.145 108.658 108.800 0.004 0.000 2.758 444 G HA2 0.002 3.963 3.960 0.002 0.000 0.686 444 G HA3 0.002 3.963 3.960 0.002 0.000 0.686 444 G C -0.539 174.334 174.900 -0.045 0.000 1.389 444 G CA -0.501 44.586 45.100 -0.021 0.000 0.845 444 G HN 1.125 nan 8.290 nan 0.000 0.572 445 T N 3.622 118.107 114.554 -0.115 0.000 2.733 445 T HA 0.593 4.944 4.350 0.002 0.000 0.294 445 T C -2.147 172.465 174.700 -0.146 0.000 0.956 445 T CA -0.655 61.317 62.100 -0.212 0.000 0.987 445 T CB 1.685 70.203 68.868 -0.585 0.000 0.920 445 T HN 0.521 nan 8.240 nan 0.000 0.470 446 P HA 0.296 nan 4.420 nan 0.000 0.271 446 P C -0.591 176.699 177.300 -0.016 0.000 1.218 446 P CA -0.370 62.702 63.100 -0.046 0.000 0.780 446 P CB 0.474 32.161 31.700 -0.021 0.000 0.901 447 I N 2.121 122.689 120.570 -0.002 0.000 2.339 447 I HA 0.252 4.423 4.170 0.002 0.000 0.290 447 I C -0.403 175.749 176.117 0.058 0.000 0.994 447 I CA -0.872 60.449 61.300 0.035 0.000 1.191 447 I CB 1.537 39.548 38.000 0.019 0.000 1.343 447 I HN -0.052 nan 8.210 nan 0.000 0.458 448 V N 5.375 125.354 119.914 0.109 0.000 2.347 448 V HA 0.342 4.463 4.120 0.002 0.000 0.280 448 V C 0.153 176.306 176.094 0.098 0.000 1.021 448 V CA -0.352 62.007 62.300 0.099 0.000 0.847 448 V CB 1.569 33.492 31.823 0.167 0.000 0.990 448 V HN 0.710 nan 8.190 nan 0.000 0.444 449 T N 4.845 119.424 114.554 0.042 0.000 2.794 449 T HA 0.619 4.970 4.350 0.002 0.000 0.280 449 T C -0.332 174.383 174.700 0.024 0.000 0.987 449 T CA -0.359 61.768 62.100 0.045 0.000 0.993 449 T CB 1.583 70.463 68.868 0.019 0.000 0.939 449 T HN 0.347 nan 8.240 nan 0.000 0.449 450 V N 4.271 124.232 119.914 0.079 0.000 2.540 450 V HA 0.530 4.651 4.120 0.002 0.000 0.302 450 V C -0.219 175.955 176.094 0.135 0.000 1.035 450 V CA -0.910 61.453 62.300 0.106 0.000 0.873 450 V CB 1.845 33.774 31.823 0.178 0.000 0.992 450 V HN 0.748 nan 8.190 nan 0.000 0.428 451 K N 3.137 123.580 120.400 0.071 0.000 2.375 451 K HA 0.712 5.033 4.320 0.002 0.000 0.249 451 K C -1.452 175.176 176.600 0.047 0.000 0.942 451 K CA -0.859 55.442 56.287 0.024 0.000 0.806 451 K CB 2.341 34.824 32.500 -0.028 0.000 1.227 451 K HN 0.892 nan 8.250 nan 0.000 0.430 452 D N 0.152 120.583 120.400 0.052 0.000 2.523 452 D HA 0.436 5.077 4.640 0.002 0.000 0.236 452 D C -1.367 174.927 176.300 -0.011 0.000 1.094 452 D CA -0.600 53.389 54.000 -0.019 0.000 0.942 452 D CB 1.894 42.735 40.800 0.068 0.000 1.447 452 D HN 0.432 nan 8.370 nan 0.000 0.479 453 D N -1.096 119.260 120.400 -0.074 0.000 2.990 453 D HA 0.338 4.979 4.640 0.002 0.000 0.227 453 D C -2.055 174.350 176.300 0.175 0.000 1.249 453 D CA -0.579 53.447 54.000 0.044 0.000 0.891 453 D CB 1.299 42.093 40.800 -0.009 0.000 1.647 453 D HN 0.337 nan 8.370 nan 0.000 0.530 454 Y N 3.570 123.952 120.300 0.137 0.000 2.335 454 Y HA 0.513 5.064 4.550 0.002 0.000 0.338 454 Y C -1.054 174.895 175.900 0.081 0.000 0.977 454 Y CA -0.994 57.217 58.100 0.185 0.000 1.114 454 Y CB 1.223 39.798 38.460 0.192 0.000 1.182 454 Y HN 0.360 nan 8.280 nan 0.000 0.463 455 N N 8.602 126.991 118.700 -0.519 0.000 2.546 455 N HA 0.288 5.029 4.740 0.002 0.000 0.238 455 N C -2.221 172.881 175.510 -0.680 0.000 0.984 455 N CA -2.437 50.354 53.050 -0.432 0.000 0.935 455 N CB 1.775 40.134 38.487 -0.213 0.000 1.122 455 N HN 0.415 nan 8.380 nan 0.000 0.510 456 P HA -0.072 nan 4.420 nan 0.000 0.221 456 P C 0.540 177.742 177.300 -0.163 0.000 1.150 456 P CA 1.079 63.974 63.100 -0.342 0.000 0.800 456 P CB 0.689 32.321 31.700 -0.112 0.000 0.787 457 E N -0.067 120.053 120.200 -0.133 0.000 2.077 457 E HA -0.109 4.243 4.350 0.002 0.000 0.193 457 E C 1.723 178.290 176.600 -0.054 0.000 0.989 457 E CA 1.991 58.350 56.400 -0.068 0.000 0.800 457 E CB -0.460 29.206 29.700 -0.057 0.000 0.746 457 E HN 0.397 nan 8.360 nan 0.000 0.452 458 T N -2.631 111.871 114.554 -0.085 0.000 3.023 458 T HA 0.137 4.489 4.350 0.002 0.000 0.253 458 T C 0.215 174.896 174.700 -0.031 0.000 1.038 458 T CA -0.147 61.926 62.100 -0.046 0.000 0.962 458 T CB 0.136 68.976 68.868 -0.047 0.000 1.018 458 T HN 0.081 nan 8.240 nan 0.000 0.521 459 E N 1.210 121.359 120.200 -0.083 0.000 2.297 459 E HA -0.179 4.172 4.350 0.002 0.000 0.228 459 E C -0.617 176.003 176.600 0.034 0.000 1.213 459 E CA 0.262 56.654 56.400 -0.014 0.000 0.712 459 E CB -1.349 28.433 29.700 0.137 0.000 1.202 459 E HN 0.726 nan 8.360 nan 0.000 0.376 460 Q N 0.102 119.880 119.800 -0.036 0.000 2.342 460 Q HA 0.537 4.878 4.340 0.002 0.000 0.267 460 Q C -1.033 175.104 176.000 0.229 0.000 1.038 460 Q CA -0.795 55.067 55.803 0.099 0.000 0.832 460 Q CB 1.834 30.594 28.738 0.035 0.000 1.323 460 Q HN 0.255 nan 8.270 nan 0.000 0.448 461 Y N 0.849 121.298 120.300 0.249 0.000 2.341 461 Y HA 0.399 4.950 4.550 0.002 0.000 0.338 461 Y C -1.051 175.044 175.900 0.326 0.000 0.965 461 Y CA -0.375 57.925 58.100 0.332 0.000 1.108 461 Y CB 1.725 40.397 38.460 0.354 0.000 1.180 461 Y HN 0.465 nan 8.280 nan 0.000 0.458 462 T N 7.632 122.064 114.554 -0.203 0.000 2.792 462 T HA 0.495 4.846 4.350 0.002 0.000 0.280 462 T C -0.766 173.758 174.700 -0.294 0.000 0.990 462 T CA -0.577 61.430 62.100 -0.155 0.000 0.960 462 T CB 0.603 69.416 68.868 -0.091 0.000 0.939 462 T HN 0.514 nan 8.240 nan 0.000 0.439 463 L N 3.399 124.581 121.223 -0.067 0.000 2.287 463 L HA 0.439 4.781 4.340 0.002 0.000 0.287 463 L C 0.202 177.123 176.870 0.084 0.000 1.022 463 L CA -0.641 54.212 54.840 0.020 0.000 0.814 463 L CB 1.335 43.519 42.059 0.208 0.000 1.217 463 L HN 0.601 nan 8.230 nan 0.000 0.420 464 T N 4.976 119.543 114.554 0.022 0.000 2.743 464 T HA 0.567 4.918 4.350 0.002 0.000 0.292 464 T C -0.062 174.647 174.700 0.014 0.000 0.972 464 T CA -0.180 61.924 62.100 0.007 0.000 0.967 464 T CB 0.659 69.509 68.868 -0.030 0.000 0.926 464 T HN 0.270 nan 8.240 nan 0.000 0.459 465 I N 2.607 123.193 120.570 0.027 0.000 2.406 465 I HA 0.418 4.590 4.170 0.002 0.000 0.290 465 I C 0.165 176.267 176.117 -0.025 0.000 0.999 465 I CA -0.602 60.682 61.300 -0.028 0.000 1.124 465 I CB 1.859 39.809 38.000 -0.083 0.000 1.289 465 I HN 0.513 nan 8.210 nan 0.000 0.441 466 S N 5.141 120.819 115.700 -0.036 0.000 2.607 466 S HA 0.678 5.149 4.470 0.002 0.000 0.303 466 S C -0.861 173.729 174.600 -0.017 0.000 1.086 466 S CA -0.814 57.372 58.200 -0.023 0.000 0.995 466 S CB 2.090 65.278 63.200 -0.020 0.000 1.084 466 S HN 0.668 nan 8.310 nan 0.000 0.507 467 Q N 0.448 120.242 119.800 -0.010 0.000 2.379 467 Q HA 0.776 5.117 4.340 0.002 0.000 0.278 467 Q C -1.354 174.637 176.000 -0.015 0.000 1.068 467 Q CA -1.226 54.574 55.803 -0.004 0.000 0.816 467 Q CB 2.008 30.747 28.738 0.001 0.000 1.387 467 Q HN 0.768 nan 8.270 nan 0.000 0.413 468 R N -0.218 120.271 120.500 -0.019 0.000 2.629 468 R HA 0.632 4.973 4.340 0.002 0.000 0.266 468 R C -1.550 174.726 176.300 -0.040 0.000 1.051 468 R CA -0.772 55.310 56.100 -0.030 0.000 0.895 468 R CB 1.938 32.225 30.300 -0.022 0.000 1.246 468 R HN 0.550 nan 8.270 nan 0.000 0.459 469 T N 3.424 117.947 114.554 -0.053 0.000 2.786 469 T HA 0.406 4.758 4.350 0.002 0.000 0.283 469 T C -2.496 172.180 174.700 -0.040 0.000 0.992 469 T CA -1.463 60.602 62.100 -0.058 0.000 0.954 469 T CB 1.637 70.454 68.868 -0.085 0.000 0.934 469 T HN 0.411 nan 8.240 nan 0.000 0.440 470 P HA 0.296 nan 4.420 nan 0.000 0.269 470 P C -0.383 176.909 177.300 -0.013 0.000 1.209 470 P CA -0.442 62.647 63.100 -0.019 0.000 0.776 470 P CB 0.344 32.035 31.700 -0.016 0.000 0.876 471 A N 2.475 125.292 122.820 -0.005 0.000 2.555 471 A HA 0.396 4.717 4.320 0.002 0.000 0.233 471 A C 0.668 178.260 177.584 0.013 0.000 1.060 471 A CA 0.575 52.614 52.037 0.005 0.000 0.759 471 A CB -0.662 18.344 19.000 0.009 0.000 0.995 471 A HN 0.639 nan 8.150 nan 0.000 0.506 472 T N -0.561 114.007 114.554 0.023 0.000 2.942 472 T HA 0.634 4.986 4.350 0.002 0.000 0.289 472 T C -2.258 172.470 174.700 0.048 0.000 1.044 472 T CA -1.650 60.471 62.100 0.036 0.000 1.023 472 T CB 1.498 70.391 68.868 0.042 0.000 1.123 472 T HN 0.268 nan 8.240 nan 0.000 0.512 473 P HA -0.065 nan 4.420 nan 0.000 0.219 473 P C 1.122 178.468 177.300 0.077 0.000 1.146 473 P CA 0.988 64.125 63.100 0.062 0.000 0.808 473 P CB 0.020 31.759 31.700 0.065 0.000 0.779 474 D N -1.606 118.850 120.400 0.093 0.000 2.333 474 D HA -0.056 4.585 4.640 0.002 0.000 0.208 474 D C 0.432 176.790 176.300 0.098 0.000 0.984 474 D CA 0.626 54.694 54.000 0.114 0.000 0.873 474 D CB -0.035 40.856 40.800 0.153 0.000 0.935 474 D HN 0.233 nan 8.370 nan 0.000 0.521 475 Q N -0.389 119.456 119.800 0.074 0.000 2.269 475 Q HA 0.561 4.902 4.340 0.002 0.000 0.263 475 Q C -0.407 175.616 176.000 0.039 0.000 0.983 475 Q CA -0.445 55.393 55.803 0.058 0.000 0.777 475 Q CB 2.372 31.142 28.738 0.054 0.000 1.273 475 Q HN 0.068 nan 8.270 nan 0.000 0.440 476 A N 2.329 125.169 122.820 0.034 0.000 2.072 476 A HA -0.016 4.305 4.320 0.002 0.000 0.216 476 A C 0.664 178.256 177.584 0.012 0.000 1.156 476 A CA 0.874 52.925 52.037 0.022 0.000 0.701 476 A CB 0.213 19.226 19.000 0.022 0.000 0.816 476 A HN 0.589 nan 8.150 nan 0.000 0.458 477 E N 1.007 121.214 120.200 0.012 0.000 2.156 477 E HA 0.454 4.805 4.350 0.002 0.000 0.279 477 E C -0.858 175.739 176.600 -0.005 0.000 0.965 477 E CA -0.451 55.950 56.400 0.002 0.000 0.789 477 E CB 0.634 30.336 29.700 0.003 0.000 1.098 477 E HN 0.024 nan 8.360 nan 0.000 0.397 478 K N 3.558 123.949 120.400 -0.016 0.000 2.426 478 K HA 0.439 4.760 4.320 0.002 0.000 0.251 478 K C -0.794 175.784 176.600 -0.037 0.000 0.941 478 K CA -0.780 55.488 56.287 -0.031 0.000 0.808 478 K CB 2.089 34.566 32.500 -0.037 0.000 1.265 478 K HN 0.651 nan 8.250 nan 0.000 0.432 479 Q N 0.981 120.750 119.800 -0.050 0.000 2.484 479 Q HA 0.479 4.820 4.340 0.002 0.000 0.285 479 Q C -2.496 173.471 176.000 -0.054 0.000 1.097 479 Q CA -2.169 53.608 55.803 -0.043 0.000 0.802 479 Q CB 2.123 30.842 28.738 -0.032 0.000 1.444 479 Q HN 0.214 nan 8.270 nan 0.000 0.429 480 P HA 0.037 nan 4.420 nan 0.000 0.269 480 P C -0.956 176.371 177.300 0.045 0.000 1.209 480 P CA 0.327 63.428 63.100 0.001 0.000 0.776 480 P CB 0.482 32.212 31.700 0.049 0.000 0.876 481 L N 1.400 122.527 121.223 -0.160 0.000 2.331 481 L HA 0.380 4.721 4.340 0.002 0.000 0.268 481 L C 0.903 177.528 176.870 -0.408 0.000 1.015 481 L CA -0.865 53.693 54.840 -0.472 0.000 0.807 481 L CB 0.808 42.264 42.059 -1.004 0.000 1.293 481 L HN 0.464 nan 8.230 nan 0.000 0.451 482 H N 2.076 120.708 119.070 -0.730 0.000 2.969 482 H HA 0.362 4.919 4.556 0.002 0.000 0.269 482 H C -0.780 174.714 175.328 0.277 0.000 1.223 482 H CA -0.561 55.348 56.048 -0.231 0.000 1.400 482 H CB 0.279 29.968 29.762 -0.120 0.000 1.500 482 H HN 0.335 nan 8.280 nan 0.000 0.486 483 I N 8.344 129.210 120.570 0.495 0.000 2.307 483 I HA 0.203 4.374 4.170 0.002 0.000 0.289 483 I C -2.276 174.101 176.117 0.434 0.000 1.021 483 I CA -2.314 59.282 61.300 0.494 0.000 1.224 483 I CB 1.445 39.676 38.000 0.385 0.000 1.376 483 I HN 0.517 nan 8.210 nan 0.000 0.470 484 P HA 0.098 nan 4.420 nan 0.000 0.276 484 P C -0.824 176.601 177.300 0.207 0.000 1.264 484 P CA 0.052 63.280 63.100 0.214 0.000 0.769 484 P CB 0.119 31.866 31.700 0.078 0.000 0.840 485 F N 3.892 123.877 119.950 0.057 0.000 2.359 485 F HA 0.589 5.117 4.527 0.002 0.000 0.369 485 F C -0.139 175.659 175.800 -0.004 0.000 1.084 485 F CA -0.821 57.193 58.000 0.024 0.000 1.096 485 F CB 0.564 39.571 39.000 0.012 0.000 1.335 485 F HN 0.279 nan 8.300 nan 0.000 0.457 486 A N 7.155 129.828 122.820 -0.245 0.000 2.363 486 A HA 0.678 4.999 4.320 0.002 0.000 0.270 486 A C -0.414 177.059 177.584 -0.185 0.000 1.121 486 A CA -0.384 51.569 52.037 -0.140 0.000 0.800 486 A CB 0.123 19.062 19.000 -0.102 0.000 1.052 486 A HN 0.845 nan 8.150 nan 0.000 0.493 487 I N -1.267 119.264 120.570 -0.065 0.000 2.934 487 I HA 0.862 5.034 4.170 0.002 0.000 0.306 487 I C -0.731 175.348 176.117 -0.062 0.000 1.110 487 I CA -0.825 60.450 61.300 -0.041 0.000 1.019 487 I CB 2.397 40.407 38.000 0.016 0.000 1.227 487 I HN 0.605 nan 8.210 nan 0.000 0.434 488 E N 3.817 123.985 120.200 -0.054 0.000 2.340 488 E HA 0.667 5.018 4.350 0.002 0.000 0.273 488 E C -1.621 174.851 176.600 -0.212 0.000 0.891 488 E CA -0.814 55.484 56.400 -0.170 0.000 0.757 488 E CB 3.161 32.762 29.700 -0.165 0.000 1.231 488 E HN 0.496 nan 8.360 nan 0.000 0.439 489 L N 2.540 123.537 121.223 -0.377 0.000 2.362 489 L HA 0.521 4.863 4.340 0.002 0.000 0.275 489 L C -1.246 175.372 176.870 -0.420 0.000 0.998 489 L CA -0.897 53.747 54.840 -0.327 0.000 0.820 489 L CB 0.792 42.631 42.059 -0.366 0.000 1.270 489 L HN 0.498 nan 8.230 nan 0.000 0.415 490 Y N 0.675 120.949 120.300 -0.044 0.000 2.377 490 Y HA 0.285 4.836 4.550 0.002 0.000 0.339 490 Y C 0.307 176.190 175.900 -0.029 0.000 1.011 490 Y CA -1.010 57.113 58.100 0.038 0.000 1.093 490 Y CB 1.501 40.121 38.460 0.266 0.000 1.201 490 Y HN 0.620 nan 8.280 nan 0.000 0.455 491 D N 0.438 120.902 120.400 0.107 0.000 2.447 491 D HA -0.029 4.612 4.640 0.002 0.000 0.265 491 D C 0.865 177.110 176.300 -0.092 0.000 1.250 491 D CA -0.475 53.511 54.000 -0.023 0.000 1.046 491 D CB 0.418 41.170 40.800 -0.080 0.000 1.095 491 D HN 0.569 nan 8.370 nan 0.000 0.555 492 N N -0.087 118.328 118.700 -0.475 0.000 2.443 492 N HA -0.194 4.547 4.740 0.002 0.000 0.184 492 N C 0.480 175.901 175.510 -0.149 0.000 1.037 492 N CA 0.881 53.690 53.050 -0.401 0.000 0.896 492 N CB -0.255 37.719 38.487 -0.855 0.000 0.959 492 N HN 0.461 nan 8.380 nan 0.000 0.442 493 E N -0.397 119.695 120.200 -0.180 0.000 2.474 493 E HA 0.138 4.489 4.350 0.002 0.000 0.195 493 E C 0.791 177.240 176.600 -0.253 0.000 1.039 493 E CA 0.342 56.640 56.400 -0.169 0.000 0.881 493 E CB -0.044 29.577 29.700 -0.132 0.000 0.970 493 E HN 0.568 nan 8.360 nan 0.000 0.486 494 G N 2.028 110.729 108.800 -0.167 0.000 2.143 494 G HA2 -0.302 3.659 3.960 0.002 0.000 0.249 494 G HA3 -0.302 3.659 3.960 0.002 0.000 0.249 494 G C 0.116 175.095 174.900 0.132 0.000 0.981 494 G CA 0.267 45.232 45.100 -0.225 0.000 0.665 494 G HN 0.215 nan 8.290 nan 0.000 0.528 495 K N 0.107 120.572 120.400 0.107 0.000 2.143 495 K HA 0.567 4.888 4.320 0.002 0.000 0.272 495 K C 0.568 177.197 176.600 0.049 0.000 1.001 495 K CA -0.830 55.508 56.287 0.085 0.000 0.915 495 K CB 2.224 34.733 32.500 0.017 0.000 1.047 495 K HN 0.019 nan 8.250 nan 0.000 0.458 496 V N 4.305 124.185 119.914 -0.057 0.000 2.521 496 V HA 0.061 4.182 4.120 0.002 0.000 0.286 496 V C 0.402 176.405 176.094 -0.153 0.000 1.034 496 V CA -0.151 61.998 62.300 -0.253 0.000 1.045 496 V CB 0.168 31.844 31.823 -0.246 0.000 0.974 496 V HN 0.571 nan 8.190 nan 0.000 0.480 497 I N 7.631 128.088 120.570 -0.188 0.000 2.352 497 I HA 0.254 4.425 4.170 0.002 0.000 0.290 497 I C -1.992 174.049 176.117 -0.127 0.000 1.036 497 I CA -1.726 59.500 61.300 -0.124 0.000 1.336 497 I CB 1.069 38.985 38.000 -0.140 0.000 1.407 497 I HN 0.450 nan 8.210 nan 0.000 0.497 498 P HA 0.048 nan 4.420 nan 0.000 0.262 498 P C -0.712 176.564 177.300 -0.040 0.000 1.182 498 P CA 0.111 63.184 63.100 -0.044 0.000 0.761 498 P CB 0.321 32.019 31.700 -0.004 0.000 0.795 499 L N 4.619 125.829 121.223 -0.022 0.000 2.281 499 L HA 0.353 4.695 4.340 0.002 0.000 0.285 499 L C 0.865 177.829 176.870 0.157 0.000 1.074 499 L CA 0.073 54.943 54.840 0.049 0.000 0.817 499 L CB 0.139 42.208 42.059 0.017 0.000 1.168 499 L HN 0.507 nan 8.230 nan 0.000 0.434 500 Q N 2.894 122.834 119.800 0.233 0.000 2.522 500 Q HA 0.728 5.069 4.340 0.002 0.000 0.285 500 Q C -1.477 174.639 176.000 0.195 0.000 0.982 500 Q CA -1.314 54.600 55.803 0.187 0.000 0.805 500 Q CB 2.610 31.409 28.738 0.101 0.000 1.457 500 Q HN 0.237 nan 8.270 nan 0.000 0.394 501 K N -0.169 120.315 120.400 0.139 0.000 2.588 501 K HA 0.497 4.818 4.320 0.002 0.000 0.250 501 K C -0.156 176.501 176.600 0.094 0.000 0.972 501 K CA 0.571 56.912 56.287 0.089 0.000 0.821 501 K CB 1.453 33.972 32.500 0.032 0.000 1.249 501 K HN 1.092 nan 8.250 nan 0.000 0.442 502 G N 2.454 111.288 108.800 0.056 0.000 2.221 502 G HA2 -0.048 3.913 3.960 0.002 0.000 0.265 502 G HA3 -0.048 3.913 3.960 0.002 0.000 0.265 502 G C 0.877 175.749 174.900 -0.046 0.000 1.041 502 G CA 0.861 45.988 45.100 0.045 0.000 0.807 502 G HN 1.859 nan 8.290 nan 0.000 0.502 503 G N -2.129 106.618 108.800 -0.089 0.000 2.159 503 G HA2 -0.166 3.795 3.960 0.002 0.000 0.256 503 G HA3 -0.166 3.795 3.960 0.002 0.000 0.256 503 G C 0.021 174.690 174.900 -0.384 0.000 0.977 503 G CA 0.998 45.960 45.100 -0.230 0.000 0.652 503 G HN 1.559 nan 8.290 nan 0.000 0.531 504 H N 0.130 119.226 119.070 0.043 0.000 2.637 504 H HA 0.528 5.085 4.556 0.001 0.000 0.363 504 H C -2.531 172.832 175.328 0.059 0.000 1.131 504 H CA -1.996 54.079 56.048 0.044 0.000 1.183 504 H CB 2.089 31.873 29.762 0.038 0.000 1.637 504 H HN 0.079 nan 8.280 nan 0.000 0.531 505 P HA 0.002 nan 4.420 nan 0.000 0.269 505 P C -0.736 176.653 177.300 0.149 0.000 1.209 505 P CA -0.120 63.060 63.100 0.135 0.000 0.776 505 P CB 0.764 32.524 31.700 0.100 0.000 0.876 506 V N 2.960 122.971 119.914 0.162 0.000 2.495 506 V HA 0.260 4.381 4.120 0.002 0.000 0.298 506 V C 0.435 176.624 176.094 0.157 0.000 1.031 506 V CA -0.882 61.528 62.300 0.185 0.000 0.871 506 V CB 1.620 33.617 31.823 0.290 0.000 0.988 506 V HN 0.566 nan 8.190 nan 0.000 0.432 507 N N 2.243 121.021 118.700 0.130 0.000 2.458 507 N HA -0.036 4.706 4.740 0.002 0.000 0.258 507 N C 1.397 176.971 175.510 0.107 0.000 1.219 507 N CA 0.727 53.835 53.050 0.097 0.000 0.902 507 N CB 1.500 40.036 38.487 0.083 0.000 1.076 507 N HN 0.852 nan 8.380 nan 0.000 0.455 508 S N 1.705 117.441 115.700 0.061 0.000 2.515 508 S HA -0.027 4.444 4.470 0.002 0.000 0.231 508 S C 0.744 175.366 174.600 0.037 0.000 0.987 508 S CA 0.057 58.277 58.200 0.033 0.000 0.936 508 S CB 0.027 63.220 63.200 -0.011 0.000 0.766 508 S HN 0.279 nan 8.310 nan 0.000 0.528 509 V N 3.735 123.679 119.914 0.050 0.000 2.339 509 V HA 0.325 4.446 4.120 0.002 0.000 0.261 509 V C 0.059 176.208 176.094 0.091 0.000 1.058 509 V CA -0.501 61.834 62.300 0.059 0.000 0.897 509 V CB 0.279 32.130 31.823 0.047 0.000 1.052 509 V HN 0.443 nan 8.190 nan 0.000 0.480 510 L N 4.694 125.963 121.223 0.076 0.000 2.380 510 L HA 0.374 4.715 4.340 0.002 0.000 0.273 510 L C 0.621 177.570 176.870 0.132 0.000 1.138 510 L CA -0.207 54.623 54.840 -0.018 0.000 0.832 510 L CB 0.369 42.168 42.059 -0.434 0.000 1.124 510 L HN 0.539 nan 8.230 nan 0.000 0.454 511 N N 2.790 121.627 118.700 0.228 0.000 2.521 511 N HA 0.127 4.868 4.740 0.002 0.000 0.236 511 N C -0.688 175.033 175.510 0.351 0.000 1.067 511 N CA -0.130 53.112 53.050 0.321 0.000 0.939 511 N CB 1.530 40.171 38.487 0.258 0.000 1.201 511 N HN 0.256 nan 8.380 nan 0.000 0.511 512 V N 2.590 122.707 119.914 0.338 0.000 2.338 512 V HA 0.087 4.208 4.120 0.002 0.000 0.255 512 V C 1.484 177.711 176.094 0.221 0.000 1.082 512 V CA 0.072 62.551 62.300 0.298 0.000 0.951 512 V CB 0.288 32.223 31.823 0.187 0.000 1.102 512 V HN 0.665 nan 8.190 nan 0.000 0.489 513 T N 0.577 115.231 114.554 0.166 0.000 2.975 513 T HA 0.253 4.604 4.350 0.002 0.000 0.257 513 T C 0.553 175.359 174.700 0.176 0.000 1.003 513 T CA -0.253 61.948 62.100 0.169 0.000 0.932 513 T CB 0.522 69.456 68.868 0.109 0.000 1.087 513 T HN 0.436 nan 8.240 nan 0.000 0.512 514 Q N 0.238 120.087 119.800 0.082 0.000 2.240 514 Q HA 0.761 5.102 4.340 0.002 0.000 0.260 514 Q C 1.303 177.311 176.000 0.014 0.000 1.018 514 Q CA -0.172 55.645 55.803 0.024 0.000 0.898 514 Q CB 1.542 30.265 28.738 -0.026 0.000 1.301 514 Q HN 0.200 nan 8.270 nan 0.000 0.469 515 A N 0.557 123.371 122.820 -0.010 0.000 1.933 515 A HA -0.140 4.181 4.320 0.002 0.000 0.218 515 A C 0.593 178.163 177.584 -0.023 0.000 1.175 515 A CA 1.629 53.655 52.037 -0.018 0.000 0.628 515 A CB 0.109 19.093 19.000 -0.026 0.000 0.814 515 A HN 0.650 nan 8.150 nan 0.000 0.444 516 E N -0.627 119.552 120.200 -0.035 0.000 2.321 516 E HA 0.407 4.758 4.350 0.002 0.000 0.278 516 E C -1.632 174.920 176.600 -0.080 0.000 0.902 516 E CA -0.746 55.626 56.400 -0.047 0.000 0.758 516 E CB 0.994 30.665 29.700 -0.049 0.000 1.213 516 E HN 0.444 nan 8.360 nan 0.000 0.426 517 Q N 1.370 121.110 119.800 -0.101 0.000 2.472 517 Q HA 0.397 4.739 4.340 0.002 0.000 0.281 517 Q C -1.286 174.555 176.000 -0.265 0.000 0.997 517 Q CA -0.912 54.757 55.803 -0.222 0.000 0.828 517 Q CB 1.649 30.201 28.738 -0.310 0.000 1.443 517 Q HN 0.549 nan 8.270 nan 0.000 0.390 518 T N -1.255 113.066 114.554 -0.388 0.000 2.945 518 T HA 0.827 5.178 4.350 0.002 0.000 0.286 518 T C -0.663 173.646 174.700 -0.652 0.000 1.025 518 T CA -0.481 61.423 62.100 -0.326 0.000 1.039 518 T CB 0.750 69.500 68.868 -0.197 0.000 1.068 518 T HN 0.399 nan 8.240 nan 0.000 0.497 519 F N 0.399 120.264 119.950 -0.143 0.000 2.539 519 F HA 0.580 5.108 4.527 0.002 0.000 0.318 519 F C -0.583 174.963 175.800 -0.424 0.000 1.135 519 F CA -1.103 56.730 58.000 -0.279 0.000 0.915 519 F CB 2.314 41.206 39.000 -0.180 0.000 1.176 519 F HN 0.409 nan 8.300 nan 0.000 0.440 520 V N 3.862 123.536 119.914 -0.400 0.000 2.459 520 V HA 0.496 4.617 4.120 0.002 0.000 0.295 520 V C -0.766 175.013 176.094 -0.524 0.000 1.029 520 V CA -0.934 61.175 62.300 -0.318 0.000 0.874 520 V CB 1.587 33.320 31.823 -0.150 0.000 0.985 520 V HN 0.482 nan 8.190 nan 0.000 0.438 521 F N 2.943 122.975 119.950 0.138 0.000 2.520 521 F HA 0.635 5.163 4.527 0.002 0.000 0.322 521 F C 0.141 176.001 175.800 0.101 0.000 1.103 521 F CA -0.892 57.189 58.000 0.135 0.000 0.926 521 F CB 1.705 40.817 39.000 0.187 0.000 1.154 521 F HN 0.664 nan 8.300 nan 0.000 0.453 522 D N -0.256 120.264 120.400 0.200 0.000 2.506 522 D HA 0.275 4.916 4.640 0.002 0.000 0.254 522 D C -0.108 176.202 176.300 0.017 0.000 1.089 522 D CA -0.870 53.191 54.000 0.101 0.000 1.050 522 D CB 0.451 41.284 40.800 0.056 0.000 1.221 522 D HN 0.539 nan 8.370 nan 0.000 0.589 523 N N -1.560 117.094 118.700 -0.078 0.000 2.721 523 N HA -0.129 4.613 4.740 0.002 0.000 0.249 523 N C -0.836 174.279 175.510 -0.657 0.000 1.072 523 N CA 0.447 53.258 53.050 -0.399 0.000 0.710 523 N CB -0.979 37.332 38.487 -0.294 0.000 0.993 523 N HN 0.280 nan 8.380 nan 0.000 0.547 524 V N 2.156 121.932 119.914 -0.229 0.000 2.299 524 V HA 0.080 4.201 4.120 0.002 0.000 0.255 524 V C 0.914 177.050 176.094 0.071 0.000 1.100 524 V CA -0.263 61.996 62.300 -0.068 0.000 0.938 524 V CB -0.166 31.773 31.823 0.192 0.000 1.139 524 V HN 0.185 nan 8.190 nan 0.000 0.490 525 Y N 3.046 123.464 120.300 0.198 0.000 2.457 525 Y HA 0.184 4.735 4.550 0.002 0.000 0.292 525 Y C 0.587 176.645 175.900 0.264 0.000 1.125 525 Y CA 0.184 58.413 58.100 0.216 0.000 1.254 525 Y CB -0.109 38.446 38.460 0.159 0.000 1.012 525 Y HN 0.484 nan 8.280 nan 0.000 0.555 526 F N 0.165 120.169 119.950 0.091 0.000 2.576 526 F HA 0.350 4.878 4.527 0.002 0.000 0.313 526 F C -0.128 175.336 175.800 -0.561 0.000 1.078 526 F CA -1.776 56.158 58.000 -0.109 0.000 0.921 526 F CB 1.283 40.245 39.000 -0.064 0.000 1.232 526 F HN -0.320 nan 8.300 nan 0.000 0.459 527 Q N 6.683 125.757 119.800 -1.209 0.000 2.239 527 Q HA 0.134 4.475 4.340 0.002 0.000 0.286 527 Q C -2.362 173.345 176.000 -0.488 0.000 1.102 527 Q CA -1.368 53.689 55.803 -1.243 0.000 0.936 527 Q CB 0.524 28.764 28.738 -0.831 0.000 1.127 527 Q HN 0.194 nan 8.270 nan 0.000 0.380 528 P HA 0.097 nan 4.420 nan 0.000 0.281 528 P C -1.041 176.112 177.300 -0.245 0.000 1.249 528 P CA -0.368 62.511 63.100 -0.367 0.000 0.810 528 P CB 1.069 32.395 31.700 -0.623 0.000 1.008 529 V N 4.370 124.193 119.914 -0.151 0.000 2.364 529 V HA 0.269 4.390 4.120 0.002 0.000 0.272 529 V C -1.872 174.304 176.094 0.136 0.000 1.036 529 V CA -1.692 60.583 62.300 -0.043 0.000 0.880 529 V CB 0.879 32.543 31.823 -0.264 0.000 0.991 529 V HN 0.584 nan 8.190 nan 0.000 0.460 530 P HA 0.440 nan 4.420 nan 0.000 0.288 530 P C -0.878 176.629 177.300 0.346 0.000 1.267 530 P CA -0.453 62.740 63.100 0.155 0.000 0.815 530 P CB 1.653 33.374 31.700 0.035 0.000 0.989 531 A N 4.564 127.584 122.820 0.334 0.000 2.260 531 A HA 0.632 4.953 4.320 0.002 0.000 0.314 531 A C -0.326 177.385 177.584 0.211 0.000 1.257 531 A CA -0.679 51.556 52.037 0.330 0.000 0.871 531 A CB 0.019 19.238 19.000 0.366 0.000 1.166 531 A HN 0.510 nan 8.150 nan 0.000 0.522 532 L N 2.156 123.522 121.223 0.239 0.000 2.342 532 L HA 0.513 4.855 4.340 0.002 0.000 0.271 532 L C 0.069 176.898 176.870 -0.069 0.000 1.008 532 L CA -1.071 53.813 54.840 0.075 0.000 0.818 532 L CB 1.661 43.834 42.059 0.189 0.000 1.296 532 L HN 0.723 nan 8.230 nan 0.000 0.427 533 L N 2.222 123.094 121.223 -0.586 0.000 3.660 533 L HA -0.224 4.118 4.340 0.002 0.000 0.440 533 L C -0.192 176.621 176.870 -0.095 0.000 1.262 533 L CA 0.228 54.773 54.840 -0.492 0.000 0.837 533 L CB -1.143 40.792 42.059 -0.207 0.000 1.689 533 L HN 0.718 nan 8.230 nan 0.000 0.890 534 C N 1.548 120.799 119.300 -0.082 0.000 2.611 534 C HA 0.100 4.561 4.460 0.002 0.000 0.416 534 C C 1.850 176.839 174.990 -0.001 0.000 1.366 534 C CA 0.433 59.487 59.018 0.060 0.000 1.761 534 C CB -0.296 27.470 27.740 0.043 0.000 2.619 534 C HN 0.848 nan 8.230 nan 0.000 0.606 535 E N 0.606 120.799 120.200 -0.012 0.000 2.660 535 E HA -0.298 4.054 4.350 0.002 0.000 0.260 535 E C 0.149 176.486 176.600 -0.439 0.000 1.122 535 E CA 0.643 56.760 56.400 -0.472 0.000 0.755 535 E CB -1.385 28.168 29.700 -0.245 0.000 1.345 535 E HN 0.835 nan 8.360 nan 0.000 0.421 536 F N -0.236 119.505 119.950 -0.349 0.000 2.797 536 F HA -0.299 4.229 4.527 0.002 0.000 0.273 536 F C 1.315 177.048 175.800 -0.112 0.000 1.020 536 F CA 0.916 58.845 58.000 -0.118 0.000 0.961 536 F CB -1.362 37.570 39.000 -0.113 0.000 1.020 536 F HN 0.202 nan 8.300 nan 0.000 0.840 537 S N 0.741 116.321 115.700 -0.201 0.000 2.481 537 S HA 0.517 4.988 4.470 0.002 0.000 0.231 537 S C 0.852 175.316 174.600 -0.227 0.000 0.996 537 S CA 0.460 58.550 58.200 -0.184 0.000 0.942 537 S CB 0.155 63.266 63.200 -0.149 0.000 0.768 537 S HN 1.576 nan 8.310 nan 0.000 0.520 538 A N 1.514 124.114 122.820 -0.367 0.000 2.549 538 A HA 0.693 5.015 4.320 0.002 0.000 0.297 538 A C -3.152 174.052 177.584 -0.634 0.000 1.061 538 A CA -1.871 49.958 52.037 -0.347 0.000 0.690 538 A CB 1.154 20.138 19.000 -0.027 0.000 1.287 538 A HN 0.130 nan 8.150 nan 0.000 0.402 539 P HA 0.332 nan 4.420 nan 0.000 0.238 539 P C -0.382 177.019 177.300 0.167 0.000 1.794 539 P CA 0.224 63.212 63.100 -0.186 0.000 1.088 539 P CB -0.232 31.521 31.700 0.088 0.000 1.923 540 V N -0.312 119.683 119.914 0.136 0.000 3.130 540 V HA 0.596 4.717 4.120 0.002 0.000 0.310 540 V C -0.435 175.882 176.094 0.372 0.000 1.158 540 V CA -1.585 60.838 62.300 0.205 0.000 1.029 540 V CB 2.483 34.427 31.823 0.201 0.000 1.057 540 V HN -0.030 nan 8.190 nan 0.000 0.436 541 K N 2.158 122.688 120.400 0.215 0.000 2.258 541 K HA 0.629 4.950 4.320 0.002 0.000 0.284 541 K C -0.909 175.858 176.600 0.277 0.000 1.051 541 K CA -0.416 56.048 56.287 0.295 0.000 0.923 541 K CB 1.505 34.095 32.500 0.150 0.000 1.046 541 K HN 0.646 nan 8.250 nan 0.000 0.474 542 L N 2.892 124.317 121.223 0.336 0.000 2.275 542 L HA 0.212 4.553 4.340 0.002 0.000 0.288 542 L C -0.798 176.244 176.870 0.286 0.000 1.046 542 L CA 0.186 55.230 54.840 0.340 0.000 0.805 542 L CB 0.940 43.250 42.059 0.418 0.000 1.193 542 L HN 0.571 nan 8.230 nan 0.000 0.426 543 E N 5.558 125.894 120.200 0.226 0.000 2.101 543 E HA 0.247 4.598 4.350 0.002 0.000 0.260 543 E C -1.841 174.854 176.600 0.158 0.000 0.897 543 E CA -0.352 56.147 56.400 0.164 0.000 0.744 543 E CB 1.342 31.099 29.700 0.094 0.000 1.140 543 E HN 0.546 nan 8.360 nan 0.000 0.419 544 Y N 1.538 121.811 120.300 -0.046 0.000 2.457 544 Y HA 0.219 4.770 4.550 0.002 0.000 0.343 544 Y C -0.662 175.041 175.900 -0.328 0.000 0.994 544 Y CA -1.089 56.846 58.100 -0.275 0.000 1.031 544 Y CB 1.505 39.630 38.460 -0.558 0.000 1.246 544 Y HN 0.177 nan 8.280 nan 0.000 0.449 545 K N 6.486 126.381 120.400 -0.842 0.000 2.278 545 K HA 0.122 4.443 4.320 0.002 0.000 0.237 545 K C -1.219 175.094 176.600 -0.479 0.000 1.229 545 K CA -0.227 55.758 56.287 -0.504 0.000 1.155 545 K CB -0.071 32.197 32.500 -0.386 0.000 1.590 545 K HN 0.641 nan 8.250 nan 0.000 0.290 546 W N 1.709 123.005 121.300 -0.006 0.000 2.193 546 W HA -0.053 4.608 4.660 0.002 0.000 0.338 546 W C 1.088 177.653 176.519 0.076 0.000 1.310 546 W CA -0.403 57.043 57.345 0.168 0.000 1.243 546 W CB 0.471 30.062 29.460 0.218 0.000 1.165 546 W HN 0.384 nan 8.180 nan 0.000 0.566 547 S N 1.110 117.034 115.700 0.373 0.000 2.632 547 S HA 0.148 4.619 4.470 0.002 0.000 0.271 547 S C 0.639 175.395 174.600 0.259 0.000 1.260 547 S CA -0.692 57.655 58.200 0.245 0.000 1.010 547 S CB 1.515 64.815 63.200 0.166 0.000 0.965 547 S HN 0.518 nan 8.310 nan 0.000 0.534 548 D N 0.796 121.327 120.400 0.218 0.000 2.123 548 D HA -0.147 4.494 4.640 0.002 0.000 0.196 548 D C 1.886 178.277 176.300 0.153 0.000 0.992 548 D CA 1.306 55.442 54.000 0.226 0.000 0.833 548 D CB -0.284 40.726 40.800 0.351 0.000 0.954 548 D HN 0.672 nan 8.370 nan 0.000 0.455 549 Q N 0.597 120.462 119.800 0.109 0.000 2.061 549 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 549 Q C 2.021 178.110 176.000 0.148 0.000 0.984 549 Q CA 1.463 57.321 55.803 0.092 0.000 0.846 549 Q CB -0.114 28.657 28.738 0.056 0.000 0.902 549 Q HN 0.451 nan 8.270 nan 0.000 0.421 550 Q N -0.123 119.784 119.800 0.179 0.000 2.096 550 Q HA -0.138 4.203 4.340 0.002 0.000 0.204 550 Q C 2.371 178.478 176.000 0.178 0.000 0.982 550 Q CA 1.466 57.406 55.803 0.228 0.000 0.850 550 Q CB -0.078 28.913 28.738 0.422 0.000 0.901 550 Q HN 0.378 nan 8.270 nan 0.000 0.422 551 L N 0.107 121.371 121.223 0.068 0.000 2.027 551 L HA -0.164 4.177 4.340 0.002 0.000 0.206 551 L C 2.777 179.593 176.870 -0.090 0.000 1.074 551 L CA 1.604 56.362 54.840 -0.135 0.000 0.745 551 L CB -0.904 41.038 42.059 -0.196 0.000 0.898 551 L HN 0.408 nan 8.230 nan 0.000 0.433 552 T N -2.587 111.960 114.554 -0.012 0.000 2.867 552 T HA -0.241 4.110 4.350 0.002 0.000 0.268 552 T C 1.750 176.435 174.700 -0.027 0.000 1.057 552 T CA 0.921 62.990 62.100 -0.052 0.000 1.136 552 T CB -0.733 68.127 68.868 -0.013 0.000 0.874 552 T HN 0.250 nan 8.240 nan 0.000 0.466 553 F N 2.110 122.024 119.950 -0.060 0.000 2.069 553 F HA 0.013 4.541 4.527 0.002 0.000 0.298 553 F C 2.030 177.781 175.800 -0.082 0.000 1.113 553 F CA 1.335 59.333 58.000 -0.003 0.000 1.214 553 F CB -0.379 38.652 39.000 0.052 0.000 0.978 553 F HN 0.066 nan 8.300 nan 0.000 0.474 554 L N -0.320 120.945 121.223 0.070 0.000 2.083 554 L HA -0.270 4.071 4.340 0.002 0.000 0.209 554 L C 2.544 179.255 176.870 -0.266 0.000 1.083 554 L CA 1.492 56.244 54.840 -0.147 0.000 0.752 554 L CB -0.631 41.355 42.059 -0.121 0.000 0.899 554 L HN 0.272 nan 8.230 nan 0.000 0.433 555 M N -1.092 118.354 119.600 -0.256 0.000 2.202 555 M HA -0.232 4.249 4.480 0.002 0.000 0.262 555 M C 2.387 178.491 176.300 -0.327 0.000 1.063 555 M CA 1.652 56.782 55.300 -0.284 0.000 1.097 555 M CB -0.267 32.149 32.600 -0.307 0.000 1.382 555 M HN 0.142 nan 8.290 nan 0.000 0.413 556 R N -1.294 118.946 120.500 -0.433 0.000 2.112 556 R HA -0.034 4.307 4.340 0.002 0.000 0.216 556 R C 1.612 177.456 176.300 -0.760 0.000 1.080 556 R CA 0.874 56.599 56.100 -0.624 0.000 0.996 556 R CB 0.294 30.101 30.300 -0.822 0.000 0.902 556 R HN 0.429 nan 8.270 nan 0.000 0.449 557 H N -1.472 117.280 119.070 -0.530 0.000 3.205 557 H HA 0.307 4.865 4.556 0.002 0.000 0.252 557 H C 0.039 175.062 175.328 -0.508 0.000 1.015 557 H CA 0.304 56.002 56.048 -0.585 0.000 1.192 557 H CB 0.428 29.590 29.762 -1.001 0.000 1.474 557 H HN 0.111 nan 8.280 nan 0.000 0.484 558 A N 1.872 124.446 122.820 -0.410 0.000 2.540 558 A HA 0.009 4.331 4.320 0.002 0.000 0.239 558 A C 1.473 179.036 177.584 -0.035 0.000 1.061 558 A CA -0.043 51.805 52.037 -0.315 0.000 0.758 558 A CB 0.389 19.282 19.000 -0.178 0.000 0.991 558 A HN 0.341 nan 8.150 nan 0.000 0.502 559 R N 1.186 121.788 120.500 0.170 0.000 2.075 559 R HA -0.071 4.270 4.340 0.002 0.000 0.232 559 R C 0.594 176.952 176.300 0.096 0.000 1.126 559 R CA 0.956 57.144 56.100 0.148 0.000 0.963 559 R CB -0.104 30.311 30.300 0.192 0.000 0.858 559 R HN 0.822 nan 8.270 nan 0.000 0.435 560 N N 1.220 119.994 118.700 0.122 0.000 2.455 560 N HA -0.037 4.704 4.740 0.002 0.000 0.280 560 N C -0.220 175.355 175.510 0.108 0.000 1.055 560 N CA 0.022 53.142 53.050 0.117 0.000 0.961 560 N CB 1.461 40.041 38.487 0.155 0.000 1.121 560 N HN -0.043 nan 8.380 nan 0.000 0.476 561 D N 2.312 122.763 120.400 0.085 0.000 2.158 561 D HA -0.196 4.445 4.640 0.002 0.000 0.197 561 D C 1.378 177.744 176.300 0.109 0.000 0.995 561 D CA 1.078 55.117 54.000 0.064 0.000 0.846 561 D CB -0.188 40.634 40.800 0.037 0.000 0.941 561 D HN 0.620 nan 8.370 nan 0.000 0.456 562 F N 1.376 121.355 119.950 0.049 0.000 2.126 562 F HA -0.233 4.296 4.527 0.002 0.000 0.299 562 F C 2.370 178.276 175.800 0.176 0.000 1.096 562 F CA 1.357 59.420 58.000 0.104 0.000 1.255 562 F CB -0.155 38.888 39.000 0.071 0.000 0.997 562 F HN -0.165 nan 8.300 nan 0.000 0.479 563 S N 0.394 116.204 115.700 0.182 0.000 2.382 563 S HA -0.180 4.291 4.470 0.002 0.000 0.228 563 S C 1.921 176.462 174.600 -0.098 0.000 1.027 563 S CA 1.343 59.581 58.200 0.064 0.000 0.991 563 S CB -0.317 62.964 63.200 0.135 0.000 0.823 563 S HN 0.416 nan 8.310 nan 0.000 0.469 564 R N -0.423 120.031 120.500 -0.077 0.000 2.073 564 R HA -0.119 4.222 4.340 0.002 0.000 0.234 564 R C 2.140 178.351 176.300 -0.148 0.000 1.134 564 R CA 1.608 57.629 56.100 -0.131 0.000 0.952 564 R CB -0.373 29.865 30.300 -0.103 0.000 0.850 564 R HN 0.538 nan 8.270 nan 0.000 0.433 565 W N 2.364 123.487 121.300 -0.295 0.000 2.355 565 W HA -0.198 4.463 4.660 0.002 0.000 0.309 565 W C 1.705 178.004 176.519 -0.366 0.000 1.206 565 W CA 1.711 58.872 57.345 -0.307 0.000 1.284 565 W CB -0.360 28.907 29.460 -0.321 0.000 1.145 565 W HN 0.013 nan 8.180 nan 0.000 0.502 566 D N 0.014 120.120 120.400 -0.491 0.000 2.117 566 D HA -0.188 4.453 4.640 0.002 0.000 0.197 566 D C 2.285 178.266 176.300 -0.532 0.000 0.987 566 D CA 2.134 55.750 54.000 -0.639 0.000 0.829 566 D CB -0.634 39.905 40.800 -0.434 0.000 0.961 566 D HN 0.163 nan 8.370 nan 0.000 0.460 567 A N 0.588 123.147 122.820 -0.436 0.000 1.908 567 A HA -0.051 4.270 4.320 0.002 0.000 0.218 567 A C 2.378 179.711 177.584 -0.419 0.000 1.181 567 A CA 2.431 54.194 52.037 -0.458 0.000 0.627 567 A CB -1.021 17.750 19.000 -0.381 0.000 0.818 567 A HN 0.292 nan 8.150 nan 0.000 0.445 568 A N -1.130 121.438 122.820 -0.421 0.000 1.940 568 A HA -0.192 4.129 4.320 0.002 0.000 0.219 568 A C 2.102 179.506 177.584 -0.300 0.000 1.176 568 A CA 1.785 53.613 52.037 -0.348 0.000 0.631 568 A CB -0.450 18.336 19.000 -0.357 0.000 0.814 568 A HN 0.504 nan 8.150 nan 0.000 0.446 569 Q N 0.184 119.649 119.800 -0.558 0.000 2.050 569 Q HA -0.098 4.244 4.340 0.002 0.000 0.202 569 Q C 2.413 178.246 176.000 -0.278 0.000 0.980 569 Q CA 1.815 57.316 55.803 -0.504 0.000 0.840 569 Q CB -0.958 27.285 28.738 -0.826 0.000 0.898 569 Q HN 0.630 nan 8.270 nan 0.000 0.424 570 S N 1.241 116.766 115.700 -0.291 0.000 2.368 570 S HA -0.124 4.348 4.470 0.002 0.000 0.225 570 S C 1.906 176.442 174.600 -0.107 0.000 1.030 570 S CA 0.907 58.991 58.200 -0.193 0.000 0.999 570 S CB -0.299 62.685 63.200 -0.359 0.000 0.844 570 S HN 0.229 nan 8.310 nan 0.000 0.459 571 L N 1.705 122.866 121.223 -0.103 0.000 2.017 571 L HA 0.012 4.353 4.340 0.002 0.000 0.208 571 L C 1.970 178.945 176.870 0.175 0.000 1.073 571 L CA 1.621 56.497 54.840 0.060 0.000 0.745 571 L CB -0.610 41.480 42.059 0.052 0.000 0.894 571 L HN 0.265 nan 8.230 nan 0.000 0.432 572 L N -0.831 120.461 121.223 0.115 0.000 2.093 572 L HA -0.158 4.183 4.340 0.002 0.000 0.208 572 L C 2.660 179.568 176.870 0.063 0.000 1.085 572 L CA 1.059 55.971 54.840 0.121 0.000 0.755 572 L CB -0.893 41.193 42.059 0.044 0.000 0.904 572 L HN 0.366 nan 8.230 nan 0.000 0.435 573 A N -0.217 122.595 122.820 -0.013 0.000 1.892 573 A HA -0.254 4.068 4.320 0.002 0.000 0.218 573 A C 2.379 179.908 177.584 -0.091 0.000 1.188 573 A CA 2.548 54.550 52.037 -0.058 0.000 0.631 573 A CB -1.072 17.887 19.000 -0.069 0.000 0.822 573 A HN 0.397 nan 8.150 nan 0.000 0.447 574 T N -1.087 113.388 114.554 -0.133 0.000 2.665 574 T HA -0.204 4.148 4.350 0.002 0.000 0.268 574 T C 1.678 176.124 174.700 -0.423 0.000 1.035 574 T CA 2.099 64.004 62.100 -0.325 0.000 1.151 574 T CB -0.476 68.089 68.868 -0.505 0.000 0.862 574 T HN 0.604 nan 8.240 nan 0.000 0.438 575 Y N 0.269 120.578 120.300 0.015 0.000 2.420 575 Y HA 0.264 4.815 4.550 0.002 0.000 0.292 575 Y C 2.095 178.011 175.900 0.027 0.000 1.119 575 Y CA -0.274 57.835 58.100 0.015 0.000 1.229 575 Y CB -0.514 37.943 38.460 -0.006 0.000 1.026 575 Y HN 0.193 nan 8.280 nan 0.000 0.554 576 I N 0.103 120.741 120.570 0.113 0.000 2.202 576 I HA -0.308 3.863 4.170 0.002 0.000 0.242 576 I C 2.183 178.412 176.117 0.187 0.000 1.091 576 I CA 1.495 62.869 61.300 0.123 0.000 1.368 576 I CB -0.292 37.763 38.000 0.093 0.000 1.058 576 I HN 0.108 nan 8.210 nan 0.000 0.410 577 K N 0.307 120.762 120.400 0.092 0.000 2.032 577 K HA -0.227 4.094 4.320 0.002 0.000 0.209 577 K C 2.116 178.810 176.600 0.158 0.000 1.048 577 K CA 1.412 57.784 56.287 0.141 0.000 0.927 577 K CB -0.450 31.999 32.500 -0.084 0.000 0.712 577 K HN 0.126 nan 8.250 nan 0.000 0.441 578 L N 2.158 123.419 121.223 0.064 0.000 2.013 578 L HA -0.226 4.116 4.340 0.002 0.000 0.212 578 L C 1.581 178.520 176.870 0.114 0.000 1.073 578 L CA 1.853 56.738 54.840 0.075 0.000 0.753 578 L CB -0.510 41.592 42.059 0.071 0.000 0.890 578 L HN 0.201 nan 8.230 nan 0.000 0.432 579 N N -1.027 117.752 118.700 0.131 0.000 2.354 579 N HA -0.072 4.669 4.740 0.002 0.000 0.179 579 N C 1.836 177.416 175.510 0.117 0.000 1.021 579 N CA 1.324 54.446 53.050 0.119 0.000 0.887 579 N CB -0.008 38.543 38.487 0.106 0.000 0.974 579 N HN 0.286 nan 8.380 nan 0.000 0.437 580 V N 1.878 121.866 119.914 0.123 0.000 2.295 580 V HA -0.194 3.927 4.120 0.002 0.000 0.246 580 V C 2.526 178.659 176.094 0.065 0.000 1.049 580 V CA 1.802 64.128 62.300 0.043 0.000 1.024 580 V CB -0.857 30.922 31.823 -0.073 0.000 0.648 580 V HN 0.244 nan 8.190 nan 0.000 0.447 581 A N -0.006 122.875 122.820 0.101 0.000 1.908 581 A HA -0.266 4.055 4.320 0.002 0.000 0.218 581 A C 2.363 179.991 177.584 0.073 0.000 1.181 581 A CA 2.080 54.166 52.037 0.082 0.000 0.627 581 A CB -0.523 18.530 19.000 0.089 0.000 0.818 581 A HN 0.525 nan 8.150 nan 0.000 0.445 582 R N -1.707 118.842 120.500 0.082 0.000 2.073 582 R HA -0.145 4.196 4.340 0.002 0.000 0.234 582 R C 2.357 178.694 176.300 0.062 0.000 1.134 582 R CA 1.323 57.462 56.100 0.065 0.000 0.952 582 R CB -0.625 29.716 30.300 0.068 0.000 0.850 582 R HN 0.772 nan 8.270 nan 0.000 0.433 583 H N 1.501 120.571 119.070 0.001 0.000 2.353 583 H HA -0.157 4.400 4.556 0.002 0.000 0.298 583 H C 1.687 177.005 175.328 -0.016 0.000 1.103 583 H CA 1.902 57.943 56.048 -0.011 0.000 1.293 583 H CB 0.182 29.930 29.762 -0.024 0.000 1.372 583 H HN 0.309 nan 8.280 nan 0.000 0.501 584 Q N -0.361 119.510 119.800 0.118 0.000 2.226 584 Q HA -0.118 4.223 4.340 0.002 0.000 0.204 584 Q C 1.215 177.208 176.000 -0.012 0.000 0.975 584 Q CA 0.970 56.807 55.803 0.058 0.000 0.866 584 Q CB 0.217 28.986 28.738 0.051 0.000 0.915 584 Q HN 0.461 nan 8.270 nan 0.000 0.440 585 Q N -0.995 118.794 119.800 -0.019 0.000 2.189 585 Q HA 0.185 4.526 4.340 0.002 0.000 0.221 585 Q C 0.487 176.456 176.000 -0.053 0.000 0.848 585 Q CA 0.440 56.227 55.803 -0.026 0.000 1.007 585 Q CB 1.087 29.823 28.738 -0.004 0.000 1.116 585 Q HN 0.454 nan 8.270 nan 0.000 0.481 586 G N 1.445 110.179 108.800 -0.110 0.000 2.198 586 G HA2 -0.309 3.653 3.960 0.002 0.000 0.260 586 G HA3 -0.309 3.653 3.960 0.002 0.000 0.260 586 G C -0.117 174.729 174.900 -0.090 0.000 1.025 586 G CA 0.271 45.290 45.100 -0.136 0.000 0.769 586 G HN 0.366 nan 8.290 nan 0.000 0.507 587 Q N 0.352 120.114 119.800 -0.063 0.000 2.274 587 Q HA 0.571 4.912 4.340 0.002 0.000 0.260 587 Q C -1.947 174.048 176.000 -0.008 0.000 0.974 587 Q CA -1.891 53.898 55.803 -0.024 0.000 0.876 587 Q CB 2.425 31.162 28.738 -0.001 0.000 1.297 587 Q HN 0.299 nan 8.270 nan 0.000 0.446 588 P HA 0.049 nan 4.420 nan 0.000 0.277 588 P C -0.720 176.597 177.300 0.028 0.000 1.271 588 P CA -0.646 62.462 63.100 0.014 0.000 0.795 588 P CB 0.724 32.428 31.700 0.007 0.000 1.101 589 L N 0.543 121.784 121.223 0.030 0.000 2.525 589 L HA 0.147 4.488 4.340 0.002 0.000 0.278 589 L C 0.445 177.326 176.870 0.019 0.000 1.218 589 L CA 1.018 55.876 54.840 0.030 0.000 0.878 589 L CB 0.143 42.211 42.059 0.014 0.000 1.127 589 L HN 0.387 nan 8.230 nan 0.000 0.492 590 S N 5.109 120.828 115.700 0.032 0.000 2.561 590 S HA 0.757 5.228 4.470 0.002 0.000 0.303 590 S C -1.239 173.360 174.600 -0.001 0.000 1.110 590 S CA -0.683 57.529 58.200 0.021 0.000 1.034 590 S CB 1.003 64.233 63.200 0.050 0.000 1.010 590 S HN 0.583 nan 8.310 nan 0.000 0.482 591 L N 6.046 127.220 121.223 -0.081 0.000 2.516 591 L HA 0.622 4.963 4.340 0.002 0.000 0.267 591 L C -2.594 174.107 176.870 -0.283 0.000 0.957 591 L CA -1.163 53.539 54.840 -0.230 0.000 0.860 591 L CB 1.831 43.761 42.059 -0.215 0.000 1.265 591 L HN 0.502 nan 8.230 nan 0.000 0.403 592 P HA 0.148 nan 4.420 nan 0.000 0.268 592 P C 1.009 178.079 177.300 -0.383 0.000 1.205 592 P CA -0.437 62.419 63.100 -0.406 0.000 0.771 592 P CB 0.837 32.130 31.700 -0.678 0.000 0.858 593 V N 2.312 122.109 119.914 -0.195 0.000 2.324 593 V HA -0.300 3.821 4.120 0.002 0.000 0.250 593 V C 2.300 178.336 176.094 -0.096 0.000 1.060 593 V CA 2.328 64.564 62.300 -0.106 0.000 1.042 593 V CB -1.585 30.226 31.823 -0.020 0.000 0.650 593 V HN 0.781 nan 8.190 nan 0.000 0.450 594 H N -0.820 118.222 119.070 -0.047 0.000 2.491 594 H HA -0.039 4.519 4.556 0.002 0.000 0.290 594 H C 2.156 177.461 175.328 -0.038 0.000 1.050 594 H CA 1.676 57.705 56.048 -0.033 0.000 1.309 594 H CB -0.552 29.203 29.762 -0.013 0.000 1.392 594 H HN 0.366 nan 8.280 nan 0.000 0.554 595 V N 1.942 121.635 119.914 -0.368 0.000 2.283 595 V HA -0.183 3.938 4.120 0.002 0.000 0.243 595 V C 3.233 179.344 176.094 0.028 0.000 1.039 595 V CA 1.588 63.782 62.300 -0.178 0.000 1.016 595 V CB -1.097 30.475 31.823 -0.418 0.000 0.650 595 V HN 0.620 nan 8.190 nan 0.000 0.449 596 A N 0.056 122.839 122.820 -0.060 0.000 1.917 596 A HA -0.293 4.028 4.320 0.002 0.000 0.219 596 A C 1.954 179.564 177.584 0.044 0.000 1.182 596 A CA 2.210 54.244 52.037 -0.004 0.000 0.633 596 A CB -0.711 18.243 19.000 -0.076 0.000 0.819 596 A HN 0.547 nan 8.150 nan 0.000 0.448 597 D N -0.058 120.349 120.400 0.012 0.000 2.178 597 D HA -0.048 4.594 4.640 0.002 0.000 0.201 597 D C 2.190 178.481 176.300 -0.016 0.000 0.980 597 D CA 1.391 55.395 54.000 0.006 0.000 0.842 597 D CB -0.390 40.419 40.800 0.016 0.000 0.948 597 D HN 0.453 nan 8.370 nan 0.000 0.472 598 A N -0.015 122.788 122.820 -0.028 0.000 1.902 598 A HA -0.145 4.176 4.320 0.002 0.000 0.217 598 A C 1.993 179.401 177.584 -0.294 0.000 1.181 598 A CA 0.967 52.898 52.037 -0.176 0.000 0.623 598 A CB -0.880 17.973 19.000 -0.245 0.000 0.818 598 A HN 0.172 nan 8.150 nan 0.000 0.443 599 F N -0.632 119.256 119.950 -0.104 0.000 2.259 599 F HA 0.012 4.540 4.527 0.002 0.000 0.298 599 F C 2.391 178.120 175.800 -0.120 0.000 1.088 599 F CA 1.333 59.261 58.000 -0.119 0.000 1.358 599 F CB -0.227 38.683 39.000 -0.151 0.000 1.040 599 F HN 0.140 nan 8.300 nan 0.000 0.505 600 R N 0.744 121.267 120.500 0.038 0.000 2.091 600 R HA -0.190 4.152 4.340 0.002 0.000 0.238 600 R C 2.338 178.615 176.300 -0.039 0.000 1.136 600 R CA 1.408 57.499 56.100 -0.015 0.000 0.959 600 R CB -0.503 29.785 30.300 -0.020 0.000 0.856 600 R HN 0.270 nan 8.270 nan 0.000 0.437 601 A N 0.196 122.977 122.820 -0.066 0.000 1.933 601 A HA -0.111 4.210 4.320 0.002 0.000 0.218 601 A C 2.263 179.788 177.584 -0.097 0.000 1.175 601 A CA 1.609 53.593 52.037 -0.088 0.000 0.628 601 A CB -0.508 18.421 19.000 -0.117 0.000 0.814 601 A HN 0.237 nan 8.150 nan 0.000 0.444 602 V N -0.043 119.803 119.914 -0.115 0.000 2.295 602 V HA -0.263 3.858 4.120 0.002 0.000 0.246 602 V C 2.548 178.617 176.094 -0.043 0.000 1.049 602 V CA 1.943 64.185 62.300 -0.097 0.000 1.024 602 V CB -0.755 31.000 31.823 -0.114 0.000 0.648 602 V HN 0.578 nan 8.190 nan 0.000 0.447 603 L N -0.770 120.440 121.223 -0.022 0.000 2.079 603 L HA -0.173 4.169 4.340 0.002 0.000 0.210 603 L C 2.068 178.931 176.870 -0.011 0.000 1.081 603 L CA 1.576 56.413 54.840 -0.005 0.000 0.752 603 L CB -0.251 41.803 42.059 -0.008 0.000 0.896 603 L HN 0.322 nan 8.230 nan 0.000 0.433 604 L N -1.423 119.785 121.223 -0.026 0.000 2.607 604 L HA 0.086 4.427 4.340 0.002 0.000 0.228 604 L C 0.395 177.245 176.870 -0.034 0.000 1.123 604 L CA -0.318 54.508 54.840 -0.025 0.000 0.890 604 L CB -0.136 41.907 42.059 -0.026 0.000 1.103 604 L HN 0.087 nan 8.230 nan 0.000 0.468 605 D N 1.492 121.864 120.400 -0.045 0.000 2.339 605 D HA -0.010 4.631 4.640 0.002 0.000 0.256 605 D C 0.745 177.021 176.300 -0.040 0.000 1.214 605 D CA 0.264 54.231 54.000 -0.055 0.000 0.877 605 D CB 1.071 41.825 40.800 -0.078 0.000 1.111 605 D HN 0.242 nan 8.370 nan 0.000 0.478 606 E N 2.358 122.536 120.200 -0.036 0.000 2.502 606 E HA -0.026 4.325 4.350 0.002 0.000 0.194 606 E C 1.059 177.641 176.600 -0.030 0.000 1.062 606 E CA 0.348 56.731 56.400 -0.027 0.000 0.867 606 E CB 0.603 30.290 29.700 -0.022 0.000 0.888 606 E HN 0.428 nan 8.360 nan 0.000 0.510 607 K N 0.441 120.818 120.400 -0.039 0.000 2.308 607 K HA 0.157 4.478 4.320 0.002 0.000 0.197 607 K C 0.991 177.567 176.600 -0.039 0.000 1.049 607 K CA -0.121 56.142 56.287 -0.039 0.000 0.991 607 K CB 0.581 33.054 32.500 -0.046 0.000 0.836 607 K HN 0.053 nan 8.250 nan 0.000 0.500 608 I N 2.773 123.316 120.570 -0.046 0.000 2.710 608 I HA -0.090 4.081 4.170 0.002 0.000 0.286 608 I C 0.023 176.122 176.117 -0.029 0.000 1.181 608 I CA -0.094 61.180 61.300 -0.043 0.000 1.430 608 I CB 0.460 38.429 38.000 -0.052 0.000 1.367 608 I HN 0.092 nan 8.210 nan 0.000 0.577 609 D N 9.760 130.144 120.400 -0.025 0.000 2.487 609 D HA 0.015 4.656 4.640 0.002 0.000 0.243 609 D C -1.673 174.619 176.300 -0.013 0.000 1.154 609 D CA -1.618 52.370 54.000 -0.020 0.000 0.876 609 D CB 1.333 42.121 40.800 -0.020 0.000 1.161 609 D HN 0.291 nan 8.370 nan 0.000 0.478 610 P HA -0.146 nan 4.420 nan 0.000 0.217 610 P C 0.932 178.234 177.300 0.003 0.000 1.148 610 P CA 1.631 64.730 63.100 -0.001 0.000 0.828 610 P CB 0.103 31.799 31.700 -0.006 0.000 0.783 611 A N -0.561 122.254 122.820 -0.008 0.000 1.908 611 A HA -0.193 4.128 4.320 0.002 0.000 0.218 611 A C 2.137 179.713 177.584 -0.013 0.000 1.181 611 A CA 1.642 53.670 52.037 -0.013 0.000 0.627 611 A CB -1.612 17.372 19.000 -0.027 0.000 0.818 611 A HN 0.190 nan 8.150 nan 0.000 0.445 612 L N -0.331 120.886 121.223 -0.010 0.000 2.027 612 L HA 0.022 4.364 4.340 0.002 0.000 0.206 612 L C 2.676 179.570 176.870 0.041 0.000 1.074 612 L CA 2.176 57.019 54.840 0.004 0.000 0.745 612 L CB -0.936 41.123 42.059 -0.000 0.000 0.898 612 L HN 0.335 nan 8.230 nan 0.000 0.433 613 A N -0.161 122.677 122.820 0.031 0.000 1.892 613 A HA -0.214 4.107 4.320 0.002 0.000 0.218 613 A C 2.478 180.119 177.584 0.095 0.000 1.188 613 A CA 2.265 54.333 52.037 0.051 0.000 0.631 613 A CB -1.344 17.675 19.000 0.032 0.000 0.822 613 A HN 0.619 nan 8.150 nan 0.000 0.447 614 A N -0.606 122.262 122.820 0.079 0.000 1.908 614 A HA -0.170 4.152 4.320 0.002 0.000 0.218 614 A C 1.947 179.605 177.584 0.125 0.000 1.181 614 A CA 1.840 53.936 52.037 0.099 0.000 0.627 614 A CB -0.425 18.612 19.000 0.062 0.000 0.818 614 A HN 0.480 nan 8.150 nan 0.000 0.445 615 E N 0.024 120.285 120.200 0.102 0.000 2.072 615 E HA -0.101 4.250 4.350 0.002 0.000 0.191 615 E C 1.981 178.808 176.600 0.379 0.000 0.985 615 E CA 0.942 57.423 56.400 0.135 0.000 0.801 615 E CB -0.482 29.161 29.700 -0.095 0.000 0.750 615 E HN 0.740 nan 8.360 nan 0.000 0.452 616 I N 0.737 121.530 120.570 0.372 0.000 2.286 616 I HA -0.241 3.931 4.170 0.002 0.000 0.248 616 I C 1.982 178.321 176.117 0.369 0.000 1.115 616 I CA 0.938 62.445 61.300 0.346 0.000 1.392 616 I CB -0.188 37.911 38.000 0.165 0.000 1.065 616 I HN 0.010 nan 8.210 nan 0.000 0.418 617 L N 0.111 121.523 121.223 0.315 0.000 2.612 617 L HA 0.053 4.394 4.340 0.002 0.000 0.230 617 L C 0.228 177.312 176.870 0.356 0.000 1.140 617 L CA 0.213 55.269 54.840 0.360 0.000 0.896 617 L CB -0.416 41.833 42.059 0.317 0.000 1.065 617 L HN 0.077 nan 8.230 nan 0.000 0.447 618 T N 1.513 116.220 114.554 0.254 0.000 2.770 618 T HA 0.394 4.745 4.350 0.002 0.000 0.297 618 T C 0.222 175.008 174.700 0.143 0.000 0.997 618 T CA -0.420 61.772 62.100 0.153 0.000 0.949 618 T CB 0.927 69.873 68.868 0.129 0.000 0.941 618 T HN -0.002 nan 8.240 nan 0.000 0.457 619 L N 5.065 126.319 121.223 0.052 0.000 2.483 619 L HA 0.234 4.575 4.340 0.002 0.000 0.276 619 L C -1.736 175.154 176.870 0.033 0.000 1.213 619 L CA -1.928 52.923 54.840 0.019 0.000 0.843 619 L CB -0.103 41.921 42.059 -0.059 0.000 1.107 619 L HN 0.303 nan 8.230 nan 0.000 0.487 620 P HA -0.019 nan 4.420 nan 0.000 0.265 620 P C -0.349 176.964 177.300 0.023 0.000 1.187 620 P CA -0.198 62.930 63.100 0.046 0.000 0.766 620 P CB 0.438 32.150 31.700 0.019 0.000 0.820 621 S N 1.331 117.049 115.700 0.030 0.000 2.596 621 S HA 0.030 4.501 4.470 0.002 0.000 0.260 621 S C 1.557 176.170 174.600 0.021 0.000 1.336 621 S CA -0.050 58.159 58.200 0.015 0.000 0.993 621 S CB -0.017 63.194 63.200 0.019 0.000 0.923 621 S HN 0.388 nan 8.310 nan 0.000 0.567 622 V N -0.145 119.777 119.914 0.014 0.000 2.568 622 V HA -0.197 3.924 4.120 0.002 0.000 0.253 622 V C 1.769 177.896 176.094 0.056 0.000 1.072 622 V CA 2.065 64.382 62.300 0.028 0.000 1.084 622 V CB -1.751 30.081 31.823 0.015 0.000 0.676 622 V HN 0.845 nan 8.190 nan 0.000 0.469 623 N N 0.578 119.309 118.700 0.051 0.000 2.171 623 N HA -0.116 4.625 4.740 0.002 0.000 0.184 623 N C 1.912 177.461 175.510 0.066 0.000 1.021 623 N CA 1.492 54.580 53.050 0.064 0.000 0.854 623 N CB -0.255 38.262 38.487 0.050 0.000 0.994 623 N HN 0.622 nan 8.380 nan 0.000 0.426 624 E N 0.708 120.938 120.200 0.050 0.000 2.085 624 E HA -0.170 4.181 4.350 0.002 0.000 0.194 624 E C 1.937 178.574 176.600 0.062 0.000 0.994 624 E CA 1.058 57.483 56.400 0.043 0.000 0.801 624 E CB -0.050 29.672 29.700 0.037 0.000 0.743 624 E HN 0.418 nan 8.360 nan 0.000 0.453 625 M N 0.295 119.945 119.600 0.082 0.000 2.159 625 M HA -0.115 4.366 4.480 0.002 0.000 0.263 625 M C 2.586 179.040 176.300 0.257 0.000 1.063 625 M CA 1.198 56.583 55.300 0.142 0.000 1.110 625 M CB -0.465 32.224 32.600 0.149 0.000 1.374 625 M HN 0.109 nan 8.290 nan 0.000 0.411 626 A N 0.369 123.314 122.820 0.208 0.000 1.940 626 A HA -0.210 4.111 4.320 0.002 0.000 0.219 626 A C 1.970 179.689 177.584 0.225 0.000 1.176 626 A CA 2.057 54.235 52.037 0.235 0.000 0.631 626 A CB -0.683 18.391 19.000 0.123 0.000 0.814 626 A HN 0.448 nan 8.150 nan 0.000 0.446 627 E N 0.348 120.635 120.200 0.145 0.000 2.209 627 E HA -0.138 4.214 4.350 0.002 0.000 0.196 627 E C 1.582 178.216 176.600 0.057 0.000 0.993 627 E CA 1.034 57.510 56.400 0.126 0.000 0.819 627 E CB -0.500 29.284 29.700 0.139 0.000 0.745 627 E HN 0.656 nan 8.360 nan 0.000 0.477 628 L N -0.553 120.627 121.223 -0.072 0.000 2.465 628 L HA 0.058 4.399 4.340 0.002 0.000 0.224 628 L C -0.007 176.522 176.870 -0.568 0.000 1.145 628 L CA 0.057 54.667 54.840 -0.382 0.000 0.834 628 L CB -0.113 41.556 42.059 -0.650 0.000 0.944 628 L HN -0.008 nan 8.230 nan 0.000 0.451 629 F N -1.271 118.682 119.950 0.005 0.000 2.532 629 F HA 0.262 4.790 4.527 0.002 0.000 0.321 629 F C 1.022 176.802 175.800 -0.033 0.000 1.089 629 F CA -1.000 56.988 58.000 -0.020 0.000 0.926 629 F CB 1.070 40.044 39.000 -0.044 0.000 1.168 629 F HN -0.240 nan 8.300 nan 0.000 0.459 630 D N 1.191 121.678 120.400 0.145 0.000 2.084 630 D HA -0.041 4.600 4.640 0.002 0.000 0.196 630 D C 0.668 176.980 176.300 0.021 0.000 0.985 630 D CA 1.736 55.775 54.000 0.064 0.000 0.826 630 D CB 0.268 41.097 40.800 0.047 0.000 0.978 630 D HN 0.042 nan 8.370 nan 0.000 0.456 631 I N 1.754 122.335 120.570 0.019 0.000 2.339 631 I HA 0.240 4.411 4.170 0.002 0.000 0.290 631 I C 0.286 176.315 176.117 -0.148 0.000 0.994 631 I CA -0.710 60.541 61.300 -0.082 0.000 1.191 631 I CB 1.199 39.167 38.000 -0.053 0.000 1.343 631 I HN -0.152 nan 8.210 nan 0.000 0.458 632 I N 5.397 125.766 120.570 -0.337 0.000 2.416 632 I HA 0.089 4.260 4.170 0.002 0.000 0.288 632 I C 0.330 176.257 176.117 -0.316 0.000 1.051 632 I CA -0.055 61.012 61.300 -0.390 0.000 1.375 632 I CB 0.666 38.304 38.000 -0.603 0.000 1.407 632 I HN 0.443 nan 8.210 nan 0.000 0.516 633 D N 9.726 129.943 120.400 -0.305 0.000 2.485 633 D HA 0.224 4.865 4.640 0.002 0.000 0.229 633 D C -1.629 174.571 176.300 -0.165 0.000 1.101 633 D CA -2.322 51.561 54.000 -0.195 0.000 0.906 633 D CB 1.437 42.103 40.800 -0.223 0.000 1.019 633 D HN 0.218 nan 8.370 nan 0.000 0.516 634 P HA -0.046 nan 4.420 nan 0.000 0.221 634 P C 1.798 179.070 177.300 -0.048 0.000 1.150 634 P CA 0.487 63.590 63.100 0.005 0.000 0.800 634 P CB 0.763 32.546 31.700 0.139 0.000 0.787 635 I N 0.138 120.673 120.570 -0.059 0.000 2.233 635 I HA -0.176 3.995 4.170 0.002 0.000 0.243 635 I C 2.611 178.565 176.117 -0.272 0.000 1.093 635 I CA 1.306 62.552 61.300 -0.091 0.000 1.380 635 I CB -0.924 37.065 38.000 -0.017 0.000 1.067 635 I HN -0.099 nan 8.210 nan 0.000 0.413 636 A N 1.265 123.854 122.820 -0.386 0.000 1.908 636 A HA -0.205 4.116 4.320 0.002 0.000 0.218 636 A C 2.305 179.604 177.584 -0.475 0.000 1.181 636 A CA 1.652 53.238 52.037 -0.751 0.000 0.627 636 A CB -0.882 17.869 19.000 -0.415 0.000 0.818 636 A HN 0.374 nan 8.150 nan 0.000 0.445 637 I N -0.402 119.990 120.570 -0.298 0.000 2.179 637 I HA -0.294 3.877 4.170 0.002 0.000 0.242 637 I C 3.010 179.047 176.117 -0.133 0.000 1.088 637 I CA 1.122 62.316 61.300 -0.177 0.000 1.357 637 I CB -0.363 37.567 38.000 -0.116 0.000 1.051 637 I HN 0.369 nan 8.210 nan 0.000 0.409 638 A N 0.273 123.017 122.820 -0.126 0.000 1.908 638 A HA -0.212 4.110 4.320 0.002 0.000 0.218 638 A C 2.232 179.752 177.584 -0.107 0.000 1.181 638 A CA 1.602 53.584 52.037 -0.092 0.000 0.627 638 A CB -0.457 18.505 19.000 -0.063 0.000 0.818 638 A HN 0.345 nan 8.150 nan 0.000 0.445 639 E N -0.203 119.903 120.200 -0.156 0.000 2.077 639 E HA -0.104 4.247 4.350 0.002 0.000 0.193 639 E C 2.226 178.777 176.600 -0.080 0.000 0.989 639 E CA 1.270 57.606 56.400 -0.106 0.000 0.800 639 E CB -0.657 28.971 29.700 -0.119 0.000 0.746 639 E HN 0.380 nan 8.360 nan 0.000 0.452 640 V N 1.216 121.057 119.914 -0.122 0.000 2.358 640 V HA -0.220 3.901 4.120 0.002 0.000 0.246 640 V C 2.600 178.653 176.094 -0.068 0.000 1.047 640 V CA 1.768 64.034 62.300 -0.057 0.000 1.035 640 V CB -0.459 31.339 31.823 -0.042 0.000 0.658 640 V HN 0.178 nan 8.190 nan 0.000 0.452 641 R N -0.036 120.410 120.500 -0.089 0.000 2.091 641 R HA -0.237 4.104 4.340 0.002 0.000 0.238 641 R C 2.402 178.583 176.300 -0.198 0.000 1.136 641 R CA 2.179 58.208 56.100 -0.119 0.000 0.959 641 R CB -0.248 29.987 30.300 -0.108 0.000 0.856 641 R HN 0.673 nan 8.270 nan 0.000 0.437 642 E N -0.393 119.690 120.200 -0.195 0.000 2.051 642 E HA -0.192 4.159 4.350 0.002 0.000 0.192 642 E C 1.773 178.239 176.600 -0.224 0.000 0.991 642 E CA 1.199 57.428 56.400 -0.285 0.000 0.799 642 E CB -0.110 29.513 29.700 -0.128 0.000 0.748 642 E HN 0.468 nan 8.360 nan 0.000 0.449 643 A N 0.984 123.743 122.820 -0.102 0.000 1.933 643 A HA -0.164 4.157 4.320 0.002 0.000 0.218 643 A C 2.119 179.663 177.584 -0.067 0.000 1.175 643 A CA 1.226 53.233 52.037 -0.051 0.000 0.628 643 A CB -0.617 18.381 19.000 -0.003 0.000 0.814 643 A HN 0.383 nan 8.150 nan 0.000 0.444 644 L N -0.150 121.023 121.223 -0.084 0.000 2.046 644 L HA -0.105 4.237 4.340 0.002 0.000 0.208 644 L C 2.470 179.299 176.870 -0.068 0.000 1.077 644 L CA 2.774 57.567 54.840 -0.079 0.000 0.747 644 L CB -1.128 40.883 42.059 -0.080 0.000 0.896 644 L HN 0.381 nan 8.230 nan 0.000 0.432 645 T N -0.339 114.127 114.554 -0.147 0.000 2.684 645 T HA -0.202 4.149 4.350 0.002 0.000 0.267 645 T C 2.001 176.693 174.700 -0.013 0.000 1.036 645 T CA 1.745 63.754 62.100 -0.152 0.000 1.148 645 T CB -0.225 68.236 68.868 -0.678 0.000 0.863 645 T HN 0.356 nan 8.240 nan 0.000 0.436 646 R N 0.456 120.905 120.500 -0.085 0.000 2.081 646 R HA -0.061 4.281 4.340 0.002 0.000 0.235 646 R C 2.799 179.126 176.300 0.044 0.000 1.131 646 R CA 1.614 57.744 56.100 0.050 0.000 0.960 646 R CB -0.737 29.599 30.300 0.060 0.000 0.856 646 R HN 0.322 nan 8.270 nan 0.000 0.436 647 T N 1.698 116.252 114.554 0.000 0.000 2.708 647 T HA -0.082 4.269 4.350 0.002 0.000 0.266 647 T C 1.903 176.577 174.700 -0.043 0.000 1.037 647 T CA 1.070 63.157 62.100 -0.022 0.000 1.146 647 T CB -0.138 68.703 68.868 -0.045 0.000 0.865 647 T HN 0.124 nan 8.240 nan 0.000 0.435 648 L N 0.723 121.911 121.223 -0.059 0.000 2.083 648 L HA -0.061 4.281 4.340 0.002 0.000 0.209 648 L C 3.036 179.824 176.870 -0.137 0.000 1.083 648 L CA 1.063 55.804 54.840 -0.166 0.000 0.752 648 L CB -0.678 41.187 42.059 -0.323 0.000 0.899 648 L HN 0.236 nan 8.230 nan 0.000 0.433 649 A N -0.236 122.609 122.820 0.043 0.000 1.908 649 A HA -0.212 4.109 4.320 0.002 0.000 0.218 649 A C 2.374 179.976 177.584 0.030 0.000 1.181 649 A CA 2.455 54.550 52.037 0.097 0.000 0.627 649 A CB -0.886 18.247 19.000 0.221 0.000 0.818 649 A HN 0.397 nan 8.150 nan 0.000 0.445 650 T N -0.193 114.373 114.554 0.020 0.000 2.701 650 T HA -0.085 4.266 4.350 0.002 0.000 0.263 650 T C 1.818 176.507 174.700 -0.019 0.000 1.040 650 T CA 1.370 63.474 62.100 0.006 0.000 1.147 650 T CB -0.238 68.635 68.868 0.008 0.000 0.865 650 T HN 0.441 nan 8.240 nan 0.000 0.426 651 E N 1.194 121.370 120.200 -0.041 0.000 2.153 651 E HA 0.018 4.370 4.350 0.002 0.000 0.194 651 E C 1.629 178.195 176.600 -0.058 0.000 0.988 651 E CA 0.793 57.162 56.400 -0.052 0.000 0.811 651 E CB -0.172 29.487 29.700 -0.069 0.000 0.746 651 E HN 0.485 nan 8.360 nan 0.000 0.466 652 L N -0.374 120.801 121.223 -0.081 0.000 2.910 652 L HA 0.342 4.683 4.340 0.002 0.000 0.252 652 L C 1.845 178.682 176.870 -0.054 0.000 1.195 652 L CA -0.081 54.707 54.840 -0.086 0.000 1.003 652 L CB 0.120 42.083 42.059 -0.160 0.000 1.328 652 L HN -0.079 nan 8.230 nan 0.000 0.540 653 A N 0.764 123.567 122.820 -0.029 0.000 1.903 653 A HA -0.257 4.064 4.320 0.002 0.000 0.219 653 A C 1.886 179.471 177.584 0.002 0.000 1.191 653 A CA 2.325 54.358 52.037 -0.005 0.000 0.638 653 A CB -0.300 18.702 19.000 0.004 0.000 0.823 653 A HN 0.378 nan 8.150 nan 0.000 0.451 654 D N -0.614 119.786 120.400 -0.000 0.000 2.117 654 D HA -0.089 4.553 4.640 0.002 0.000 0.198 654 D C 1.962 178.270 176.300 0.014 0.000 0.982 654 D CA 1.595 55.600 54.000 0.008 0.000 0.828 654 D CB -0.420 40.382 40.800 0.005 0.000 0.967 654 D HN 0.579 nan 8.370 nan 0.000 0.464 655 E N 0.483 120.685 120.200 0.002 0.000 2.072 655 E HA -0.065 4.286 4.350 0.002 0.000 0.191 655 E C 2.328 178.942 176.600 0.023 0.000 0.985 655 E CA 0.336 56.739 56.400 0.005 0.000 0.801 655 E CB -0.250 29.442 29.700 -0.014 0.000 0.750 655 E HN 0.231 nan 8.360 nan 0.000 0.452 656 L N 0.017 121.250 121.223 0.016 0.000 2.046 656 L HA -0.173 4.168 4.340 0.002 0.000 0.208 656 L C 2.303 179.235 176.870 0.105 0.000 1.077 656 L CA 0.641 55.513 54.840 0.052 0.000 0.747 656 L CB -0.362 41.718 42.059 0.035 0.000 0.896 656 L HN 0.196 nan 8.230 nan 0.000 0.432 657 L N -0.085 121.184 121.223 0.076 0.000 2.056 657 L HA -0.117 4.224 4.340 0.002 0.000 0.207 657 L C 2.613 179.575 176.870 0.153 0.000 1.078 657 L CA 1.911 56.815 54.840 0.107 0.000 0.749 657 L CB -0.696 41.396 42.059 0.055 0.000 0.901 657 L HN 0.150 nan 8.230 nan 0.000 0.433 658 A N -0.257 122.621 122.820 0.096 0.000 1.883 658 A HA -0.183 4.139 4.320 0.002 0.000 0.217 658 A C 2.123 179.761 177.584 0.091 0.000 1.186 658 A CA 2.027 54.111 52.037 0.079 0.000 0.624 658 A CB -0.739 18.289 19.000 0.046 0.000 0.822 658 A HN 0.416 nan 8.150 nan 0.000 0.444 659 I N -1.731 118.899 120.570 0.101 0.000 2.353 659 I HA -0.159 4.012 4.170 0.002 0.000 0.248 659 I C 2.324 178.519 176.117 0.130 0.000 1.119 659 I CA 1.100 62.457 61.300 0.095 0.000 1.417 659 I CB -1.606 36.444 38.000 0.082 0.000 1.078 659 I HN 0.552 nan 8.210 nan 0.000 0.421 660 Y N 2.519 122.854 120.300 0.059 0.000 2.081 660 Y HA -0.303 4.248 4.550 0.002 0.000 0.280 660 Y C 2.343 178.291 175.900 0.081 0.000 1.163 660 Y CA 2.320 60.464 58.100 0.073 0.000 1.135 660 Y CB -0.640 37.863 38.460 0.072 0.000 0.970 660 Y HN 0.261 nan 8.280 nan 0.000 0.498 661 N N -0.189 118.576 118.700 0.109 0.000 2.120 661 N HA -0.170 4.571 4.740 0.002 0.000 0.188 661 N C 1.961 177.474 175.510 0.005 0.000 1.024 661 N CA 0.903 53.962 53.050 0.016 0.000 0.852 661 N CB -0.377 38.158 38.487 0.080 0.000 1.003 661 N HN 0.468 nan 8.380 nan 0.000 0.424 662 A N 0.977 123.813 122.820 0.027 0.000 2.019 662 A HA -0.083 4.238 4.320 0.002 0.000 0.219 662 A C 1.590 179.183 177.584 0.015 0.000 1.164 662 A CA 1.203 53.255 52.037 0.025 0.000 0.644 662 A CB -0.147 18.868 19.000 0.025 0.000 0.805 662 A HN 0.295 nan 8.150 nan 0.000 0.449 663 N N -1.442 117.252 118.700 -0.010 0.000 2.235 663 N HA 0.057 4.799 4.740 0.002 0.000 0.209 663 N C -0.364 175.110 175.510 -0.060 0.000 1.122 663 N CA -0.201 52.829 53.050 -0.034 0.000 0.845 663 N CB 0.111 38.580 38.487 -0.031 0.000 1.004 663 N HN 0.582 nan 8.380 nan 0.000 0.499 664 Y N 2.663 122.863 120.300 -0.167 0.000 2.712 664 Y HA -0.083 4.468 4.550 0.002 0.000 0.333 664 Y C -0.110 175.734 175.900 -0.094 0.000 1.225 664 Y CA 0.587 58.591 58.100 -0.159 0.000 1.499 664 Y CB 0.352 38.726 38.460 -0.145 0.000 1.288 664 Y HN 0.013 nan 8.280 nan 0.000 0.575 665 Q N 4.128 123.407 119.800 -0.868 0.000 2.292 665 Q HA 0.224 4.565 4.340 0.002 0.000 0.270 665 Q C 0.515 175.982 176.000 -0.889 0.000 1.024 665 Q CA -0.158 55.238 55.803 -0.678 0.000 0.768 665 Q CB 1.929 30.461 28.738 -0.342 0.000 1.250 665 Q HN 0.889 nan 8.270 nan 0.000 0.447 666 S N 1.394 116.712 115.700 -0.635 0.000 2.371 666 S HA -0.010 4.462 4.470 0.002 0.000 0.224 666 S C 0.579 175.082 174.600 -0.162 0.000 1.029 666 S CA 0.534 58.545 58.200 -0.315 0.000 0.978 666 S CB 0.162 63.340 63.200 -0.037 0.000 0.833 666 S HN 0.495 nan 8.310 nan 0.000 0.466 667 E N 1.164 121.278 120.200 -0.143 0.000 2.313 667 E HA 0.221 4.572 4.350 0.002 0.000 0.276 667 E C -1.410 175.137 176.600 -0.089 0.000 1.031 667 E CA -0.323 56.023 56.400 -0.091 0.000 0.857 667 E CB 0.826 30.467 29.700 -0.098 0.000 1.040 667 E HN 0.554 nan 8.360 nan 0.000 0.408 668 Y N 3.407 123.614 120.300 -0.155 0.000 2.341 668 Y HA 0.258 4.809 4.550 0.002 0.000 0.340 668 Y C -0.362 175.421 175.900 -0.194 0.000 0.997 668 Y CA -0.295 57.699 58.100 -0.176 0.000 1.149 668 Y CB 0.634 38.998 38.460 -0.159 0.000 1.171 668 Y HN 0.309 nan 8.280 nan 0.000 0.494 669 R N 4.528 124.472 120.500 -0.927 0.000 2.574 669 R HA 0.462 4.803 4.340 0.002 0.000 0.288 669 R C -1.465 174.235 176.300 -1.001 0.000 1.004 669 R CA -1.147 54.496 56.100 -0.761 0.000 0.895 669 R CB 2.040 32.078 30.300 -0.437 0.000 1.191 669 R HN 0.471 nan 8.270 nan 0.000 0.444 670 V N 3.268 122.650 119.914 -0.886 0.000 2.153 670 V HA 0.146 4.267 4.120 0.002 0.000 0.250 670 V C -0.106 175.606 176.094 -0.636 0.000 1.334 670 V CA 0.299 62.074 62.300 -0.876 0.000 1.249 670 V CB -0.631 30.481 31.823 -1.185 0.000 1.371 670 V HN 0.723 nan 8.190 nan 0.000 0.498 671 E N 1.029 120.897 120.200 -0.553 0.000 2.331 671 E HA 0.409 4.760 4.350 0.002 0.000 0.275 671 E C 0.096 176.460 176.600 -0.394 0.000 0.895 671 E CA -0.840 55.297 56.400 -0.438 0.000 0.753 671 E CB 1.679 31.209 29.700 -0.283 0.000 1.216 671 E HN 0.397 nan 8.360 nan 0.000 0.434 672 H N 1.484 120.473 119.070 -0.135 0.000 2.387 672 H HA -0.109 4.448 4.556 0.002 0.000 0.299 672 H C 1.076 176.339 175.328 -0.109 0.000 1.090 672 H CA 1.437 57.416 56.048 -0.115 0.000 1.332 672 H CB 0.409 30.118 29.762 -0.089 0.000 1.386 672 H HN 0.603 nan 8.280 nan 0.000 0.516 673 E N 0.433 120.626 120.200 -0.011 0.000 2.072 673 E HA -0.137 4.214 4.350 0.002 0.000 0.191 673 E C 1.676 178.226 176.600 -0.082 0.000 0.985 673 E CA 1.142 57.519 56.400 -0.040 0.000 0.801 673 E CB 0.078 29.751 29.700 -0.045 0.000 0.750 673 E HN 0.461 nan 8.360 nan 0.000 0.452 674 D N 0.563 120.879 120.400 -0.140 0.000 2.117 674 D HA -0.111 4.530 4.640 0.002 0.000 0.198 674 D C 1.864 178.062 176.300 -0.170 0.000 0.982 674 D CA 0.779 54.670 54.000 -0.183 0.000 0.828 674 D CB -0.091 40.542 40.800 -0.278 0.000 0.967 674 D HN 0.128 nan 8.370 nan 0.000 0.464 675 I N 0.914 121.377 120.570 -0.180 0.000 2.208 675 I HA -0.288 3.883 4.170 0.002 0.000 0.245 675 I C 2.390 178.472 176.117 -0.058 0.000 1.097 675 I CA 1.061 62.284 61.300 -0.128 0.000 1.363 675 I CB -0.259 37.665 38.000 -0.128 0.000 1.051 675 I HN -0.029 nan 8.210 nan 0.000 0.413 676 A N 0.893 123.688 122.820 -0.041 0.000 1.883 676 A HA -0.250 4.072 4.320 0.002 0.000 0.217 676 A C 2.326 179.898 177.584 -0.021 0.000 1.186 676 A CA 1.837 53.862 52.037 -0.021 0.000 0.624 676 A CB -0.508 18.483 19.000 -0.016 0.000 0.822 676 A HN 0.331 nan 8.150 nan 0.000 0.444 677 K N -1.007 119.370 120.400 -0.039 0.000 2.057 677 K HA -0.151 4.170 4.320 0.002 0.000 0.207 677 K C 2.382 178.964 176.600 -0.030 0.000 1.049 677 K CA 1.543 57.808 56.287 -0.037 0.000 0.931 677 K CB -0.161 32.303 32.500 -0.061 0.000 0.714 677 K HN 0.475 nan 8.250 nan 0.000 0.440 678 R N 0.711 121.187 120.500 -0.041 0.000 2.075 678 R HA -0.097 4.244 4.340 0.002 0.000 0.232 678 R C 1.959 178.271 176.300 0.020 0.000 1.126 678 R CA 1.818 57.907 56.100 -0.018 0.000 0.963 678 R CB -0.197 30.091 30.300 -0.019 0.000 0.858 678 R HN 0.092 nan 8.270 nan 0.000 0.435 679 T N 1.665 116.229 114.554 0.017 0.000 2.746 679 T HA -0.163 4.188 4.350 0.002 0.000 0.267 679 T C 1.613 176.350 174.700 0.061 0.000 1.039 679 T CA 1.277 63.399 62.100 0.037 0.000 1.142 679 T CB -0.246 68.635 68.868 0.022 0.000 0.866 679 T HN 0.149 nan 8.240 nan 0.000 0.444 680 L N 1.366 122.622 121.223 0.054 0.000 2.017 680 L HA 0.049 4.390 4.340 0.002 0.000 0.208 680 L C 2.534 179.473 176.870 0.115 0.000 1.073 680 L CA 1.762 56.650 54.840 0.080 0.000 0.745 680 L CB -0.627 41.465 42.059 0.055 0.000 0.894 680 L HN 0.064 nan 8.230 nan 0.000 0.432 681 R N -0.398 120.155 120.500 0.088 0.000 2.083 681 R HA -0.200 4.141 4.340 0.002 0.000 0.237 681 R C 2.066 178.512 176.300 0.244 0.000 1.137 681 R CA 2.323 58.496 56.100 0.121 0.000 0.951 681 R CB -0.381 29.907 30.300 -0.020 0.000 0.851 681 R HN 0.589 nan 8.270 nan 0.000 0.434 682 N N -0.405 118.398 118.700 0.172 0.000 2.331 682 N HA -0.076 4.665 4.740 0.002 0.000 0.180 682 N C 1.646 177.247 175.510 0.152 0.000 1.019 682 N CA 0.664 53.819 53.050 0.175 0.000 0.881 682 N CB -0.027 38.530 38.487 0.118 0.000 0.972 682 N HN 0.286 nan 8.380 nan 0.000 0.435 683 A N 0.615 123.525 122.820 0.150 0.000 1.902 683 A HA -0.165 4.157 4.320 0.002 0.000 0.217 683 A C 2.369 180.114 177.584 0.268 0.000 1.181 683 A CA 1.058 53.194 52.037 0.164 0.000 0.623 683 A CB -0.964 18.148 19.000 0.187 0.000 0.818 683 A HN 0.444 nan 8.150 nan 0.000 0.443 684 C N -1.405 118.072 119.300 0.295 0.000 2.429 684 C HA -0.055 4.406 4.460 0.002 0.000 0.277 684 C C 2.519 177.660 174.990 0.251 0.000 1.262 684 C CA 1.043 60.259 59.018 0.329 0.000 1.733 684 C CB -1.447 26.472 27.740 0.299 0.000 2.010 684 C HN 0.679 nan 8.230 nan 0.000 0.483 685 L N 1.498 122.841 121.223 0.200 0.000 2.043 685 L HA -0.151 4.191 4.340 0.002 0.000 0.212 685 L C 2.637 179.534 176.870 0.046 0.000 1.075 685 L CA 1.901 56.764 54.840 0.038 0.000 0.752 685 L CB -0.728 41.402 42.059 0.118 0.000 0.891 685 L HN 0.190 nan 8.230 nan 0.000 0.432 686 R N -0.938 119.597 120.500 0.058 0.000 2.083 686 R HA -0.195 4.146 4.340 0.002 0.000 0.237 686 R C 2.069 178.400 176.300 0.051 0.000 1.137 686 R CA 2.155 58.253 56.100 -0.004 0.000 0.951 686 R CB -0.863 29.344 30.300 -0.155 0.000 0.851 686 R HN 0.407 nan 8.270 nan 0.000 0.434 687 F N 0.062 120.084 119.950 0.120 0.000 2.113 687 F HA -0.062 4.466 4.527 0.002 0.000 0.297 687 F C 2.083 177.948 175.800 0.108 0.000 1.103 687 F CA 1.120 59.187 58.000 0.111 0.000 1.248 687 F CB -0.509 38.512 39.000 0.035 0.000 0.999 687 F HN -0.035 nan 8.300 nan 0.000 0.475 688 L N -0.341 121.008 121.223 0.210 0.000 2.127 688 L HA -0.238 4.104 4.340 0.002 0.000 0.211 688 L C 2.649 179.523 176.870 0.006 0.000 1.089 688 L CA 1.081 55.954 54.840 0.056 0.000 0.757 688 L CB -1.005 41.002 42.059 -0.087 0.000 0.899 688 L HN 0.159 nan 8.230 nan 0.000 0.434 689 A N -0.566 122.244 122.820 -0.017 0.000 2.019 689 A HA -0.161 4.161 4.320 0.002 0.000 0.219 689 A C 1.701 179.136 177.584 -0.248 0.000 1.164 689 A CA 1.378 53.319 52.037 -0.160 0.000 0.644 689 A CB -0.605 18.253 19.000 -0.237 0.000 0.805 689 A HN 0.401 nan 8.150 nan 0.000 0.449 690 F N -0.415 119.521 119.950 -0.024 0.000 2.660 690 F HA 0.316 4.844 4.527 0.002 0.000 0.302 690 F C 1.636 177.442 175.800 0.010 0.000 1.103 690 F CA -0.122 57.871 58.000 -0.011 0.000 1.340 690 F CB 0.040 39.035 39.000 -0.009 0.000 1.048 690 F HN 0.243 nan 8.300 nan 0.000 0.551 691 G N -0.814 108.057 108.800 0.118 0.000 2.630 691 G HA2 0.069 4.030 3.960 0.002 0.000 0.223 691 G HA3 0.069 4.030 3.960 0.002 0.000 0.223 691 G C -0.415 174.507 174.900 0.037 0.000 1.434 691 G CA -0.416 44.730 45.100 0.077 0.000 1.057 691 G HN 0.005 nan 8.290 nan 0.000 0.570 692 E N -0.101 120.115 120.200 0.027 0.000 2.480 692 E HA 0.002 4.353 4.350 0.002 0.000 0.258 692 E C 1.502 178.111 176.600 0.015 0.000 0.984 692 E CA 0.143 56.558 56.400 0.026 0.000 0.930 692 E CB 0.593 30.313 29.700 0.034 0.000 0.936 692 E HN 0.319 nan 8.360 nan 0.000 0.466 693 T N 4.571 119.135 114.554 0.017 0.000 2.684 693 T HA -0.217 4.135 4.350 0.002 0.000 0.267 693 T C 1.524 176.232 174.700 0.012 0.000 1.036 693 T CA 1.552 63.651 62.100 -0.001 0.000 1.148 693 T CB -0.328 68.543 68.868 0.005 0.000 0.863 693 T HN 0.575 nan 8.240 nan 0.000 0.436 694 H N 0.644 119.697 119.070 -0.029 0.000 2.293 694 H HA -0.034 4.523 4.556 0.002 0.000 0.300 694 H C 2.421 177.734 175.328 -0.025 0.000 1.082 694 H CA 1.533 57.566 56.048 -0.024 0.000 1.308 694 H CB -0.386 29.367 29.762 -0.016 0.000 1.375 694 H HN 0.235 nan 8.280 nan 0.000 0.495 695 L N 1.389 122.577 121.223 -0.058 0.000 2.042 695 L HA -0.116 4.225 4.340 0.002 0.000 0.210 695 L C 2.733 179.517 176.870 -0.143 0.000 1.076 695 L CA 2.140 56.915 54.840 -0.108 0.000 0.749 695 L CB -1.177 40.871 42.059 -0.018 0.000 0.893 695 L HN 0.339 nan 8.230 nan 0.000 0.432 696 A N -0.766 121.988 122.820 -0.111 0.000 1.883 696 A HA -0.311 4.011 4.320 0.002 0.000 0.217 696 A C 2.133 179.629 177.584 -0.146 0.000 1.186 696 A CA 2.085 54.046 52.037 -0.126 0.000 0.624 696 A CB -1.167 17.762 19.000 -0.118 0.000 0.822 696 A HN 0.577 nan 8.150 nan 0.000 0.444 697 D N -0.894 119.414 120.400 -0.152 0.000 2.117 697 D HA -0.110 4.532 4.640 0.002 0.000 0.197 697 D C 1.837 178.052 176.300 -0.141 0.000 0.987 697 D CA 1.410 55.325 54.000 -0.142 0.000 0.829 697 D CB -0.044 40.683 40.800 -0.121 0.000 0.961 697 D HN 0.142 nan 8.370 nan 0.000 0.460 698 V N 0.352 120.140 119.914 -0.211 0.000 2.261 698 V HA -0.218 3.903 4.120 0.002 0.000 0.246 698 V C 2.612 178.658 176.094 -0.079 0.000 1.047 698 V CA 1.267 63.468 62.300 -0.166 0.000 1.015 698 V CB -0.505 31.162 31.823 -0.260 0.000 0.642 698 V HN 0.309 nan 8.190 nan 0.000 0.446 699 L N -0.500 120.663 121.223 -0.099 0.000 2.012 699 L HA -0.177 4.165 4.340 0.002 0.000 0.210 699 L C 2.494 179.345 176.870 -0.032 0.000 1.073 699 L CA 1.379 56.174 54.840 -0.075 0.000 0.748 699 L CB -0.661 41.291 42.059 -0.178 0.000 0.891 699 L HN 0.198 nan 8.230 nan 0.000 0.431 700 V N -0.137 119.739 119.914 -0.063 0.000 2.295 700 V HA -0.273 3.848 4.120 0.002 0.000 0.246 700 V C 2.703 178.801 176.094 0.007 0.000 1.049 700 V CA 2.039 64.318 62.300 -0.035 0.000 1.024 700 V CB -0.561 31.208 31.823 -0.091 0.000 0.648 700 V HN 0.642 nan 8.190 nan 0.000 0.447 701 S N 0.071 115.765 115.700 -0.011 0.000 2.382 701 S HA -0.284 4.187 4.470 0.002 0.000 0.228 701 S C 2.017 176.696 174.600 0.132 0.000 1.027 701 S CA 1.797 60.009 58.200 0.020 0.000 0.991 701 S CB -0.439 62.798 63.200 0.062 0.000 0.823 701 S HN 0.618 nan 8.310 nan 0.000 0.469 702 K N 1.157 121.638 120.400 0.135 0.000 2.026 702 K HA -0.193 4.128 4.320 0.002 0.000 0.208 702 K C 2.615 179.316 176.600 0.168 0.000 1.048 702 K CA 1.605 57.990 56.287 0.165 0.000 0.929 702 K CB -0.338 32.229 32.500 0.112 0.000 0.713 702 K HN 0.589 nan 8.250 nan 0.000 0.439 703 Q N -0.357 119.539 119.800 0.160 0.000 2.084 703 Q HA -0.207 4.134 4.340 0.002 0.000 0.202 703 Q C 1.974 178.061 176.000 0.144 0.000 0.978 703 Q CA 1.733 57.641 55.803 0.175 0.000 0.844 703 Q CB -0.231 28.636 28.738 0.215 0.000 0.898 703 Q HN 0.377 nan 8.270 nan 0.000 0.426 704 F N 0.459 120.391 119.950 -0.030 0.000 2.095 704 F HA -0.239 4.289 4.527 0.002 0.000 0.298 704 F C 1.746 177.501 175.800 -0.074 0.000 1.104 704 F CA 2.354 60.298 58.000 -0.093 0.000 1.232 704 F CB -0.213 38.649 39.000 -0.230 0.000 0.987 704 F HN 0.236 nan 8.300 nan 0.000 0.475 705 H N -1.128 118.036 119.070 0.158 0.000 2.436 705 H HA 0.003 4.560 4.556 0.002 0.000 0.294 705 H C 1.719 177.040 175.328 -0.012 0.000 1.048 705 H CA 1.303 57.380 56.048 0.049 0.000 1.353 705 H CB 0.022 29.862 29.762 0.130 0.000 1.414 705 H HN 0.381 nan 8.280 nan 0.000 0.536 706 E N 0.600 120.877 120.200 0.128 0.000 2.447 706 E HA 0.183 4.534 4.350 0.002 0.000 0.195 706 E C 0.547 177.175 176.600 0.047 0.000 1.028 706 E CA -0.122 56.331 56.400 0.088 0.000 0.876 706 E CB 0.530 30.297 29.700 0.111 0.000 0.885 706 E HN 0.313 nan 8.360 nan 0.000 0.500 707 A N 2.911 125.734 122.820 0.004 0.000 2.567 707 A HA -0.051 4.270 4.320 0.002 0.000 0.240 707 A C 0.681 178.228 177.584 -0.060 0.000 1.053 707 A CA 0.065 52.084 52.037 -0.030 0.000 0.755 707 A CB -0.024 18.930 19.000 -0.076 0.000 0.978 707 A HN 0.282 nan 8.150 nan 0.000 0.507 708 N N 1.624 120.285 118.700 -0.064 0.000 2.251 708 N HA 0.043 4.784 4.740 0.002 0.000 0.217 708 N C -0.456 174.936 175.510 -0.197 0.000 1.124 708 N CA 0.008 53.005 53.050 -0.089 0.000 0.843 708 N CB -0.092 38.369 38.487 -0.043 0.000 1.024 708 N HN 0.735 nan 8.380 nan 0.000 0.501 709 N N -1.368 117.177 118.700 -0.258 0.000 2.859 709 N HA 0.064 4.806 4.740 0.002 0.000 0.250 709 N C -0.117 175.224 175.510 -0.282 0.000 1.341 709 N CA -0.563 52.214 53.050 -0.454 0.000 0.881 709 N CB 0.928 38.787 38.487 -1.047 0.000 1.516 709 N HN -0.165 nan 8.380 nan 0.000 0.503 710 M N 1.203 120.647 119.600 -0.260 0.000 2.229 710 M HA 0.009 4.490 4.480 0.002 0.000 0.264 710 M C 1.410 177.666 176.300 -0.073 0.000 1.063 710 M CA 1.914 57.129 55.300 -0.141 0.000 1.114 710 M CB -0.894 31.612 32.600 -0.157 0.000 1.387 710 M HN 0.731 nan 8.290 nan 0.000 0.420 711 T N 0.698 115.200 114.554 -0.087 0.000 2.652 711 T HA -0.156 4.196 4.350 0.002 0.000 0.267 711 T C 1.414 176.128 174.700 0.022 0.000 1.039 711 T CA 1.857 63.958 62.100 0.002 0.000 1.153 711 T CB -0.479 68.423 68.868 0.056 0.000 0.863 711 T HN 0.404 nan 8.240 nan 0.000 0.428 712 D N 0.995 121.395 120.400 0.000 0.000 2.149 712 D HA 0.081 4.722 4.640 0.002 0.000 0.201 712 D C 2.382 178.718 176.300 0.060 0.000 0.972 712 D CA 1.073 55.097 54.000 0.040 0.000 0.835 712 D CB -0.488 40.328 40.800 0.026 0.000 0.966 712 D HN 0.386 nan 8.370 nan 0.000 0.476 713 A N 0.820 123.648 122.820 0.014 0.000 1.877 713 A HA -0.145 4.176 4.320 0.002 0.000 0.216 713 A C 2.166 179.884 177.584 0.223 0.000 1.186 713 A CA 1.031 53.090 52.037 0.037 0.000 0.620 713 A CB -0.733 18.197 19.000 -0.116 0.000 0.822 713 A HN 0.230 nan 8.150 nan 0.000 0.443 714 L N -0.447 120.872 121.223 0.160 0.000 2.093 714 L HA 0.022 4.363 4.340 0.002 0.000 0.208 714 L C 2.709 179.641 176.870 0.103 0.000 1.085 714 L CA 1.880 56.812 54.840 0.153 0.000 0.755 714 L CB -0.703 41.413 42.059 0.096 0.000 0.904 714 L HN 0.354 nan 8.230 nan 0.000 0.435 715 A N -0.435 122.440 122.820 0.091 0.000 1.908 715 A HA -0.189 4.132 4.320 0.002 0.000 0.218 715 A C 2.452 180.083 177.584 0.078 0.000 1.181 715 A CA 2.014 54.097 52.037 0.077 0.000 0.627 715 A CB -1.169 17.884 19.000 0.089 0.000 0.818 715 A HN 0.546 nan 8.150 nan 0.000 0.445 716 A N -0.728 122.167 122.820 0.124 0.000 1.873 716 A HA -0.010 4.311 4.320 0.002 0.000 0.215 716 A C 2.142 179.755 177.584 0.047 0.000 1.186 716 A CA 1.715 53.820 52.037 0.113 0.000 0.616 716 A CB -0.675 18.447 19.000 0.202 0.000 0.823 716 A HN 0.641 nan 8.150 nan 0.000 0.442 717 L N 0.234 121.520 121.223 0.105 0.000 2.012 717 L HA -0.137 4.205 4.340 0.002 0.000 0.210 717 L C 2.585 179.393 176.870 -0.102 0.000 1.073 717 L CA 2.581 57.389 54.840 -0.054 0.000 0.748 717 L CB -0.685 41.393 42.059 0.031 0.000 0.891 717 L HN 0.327 nan 8.230 nan 0.000 0.431 718 S N -0.221 115.446 115.700 -0.055 0.000 2.370 718 S HA -0.200 4.271 4.470 0.002 0.000 0.226 718 S C 2.099 176.652 174.600 -0.077 0.000 1.033 718 S CA 1.192 59.350 58.200 -0.069 0.000 1.011 718 S CB -0.720 62.462 63.200 -0.031 0.000 0.852 718 S HN 0.665 nan 8.310 nan 0.000 0.457 719 A N 1.622 124.402 122.820 -0.068 0.000 1.902 719 A HA 0.095 4.417 4.320 0.002 0.000 0.217 719 A C 2.374 179.838 177.584 -0.201 0.000 1.181 719 A CA 1.727 53.698 52.037 -0.110 0.000 0.623 719 A CB -1.113 17.837 19.000 -0.084 0.000 0.818 719 A HN 0.524 nan 8.150 nan 0.000 0.443 720 A N -0.588 122.125 122.820 -0.179 0.000 1.902 720 A HA -0.010 4.311 4.320 0.002 0.000 0.217 720 A C 2.239 179.699 177.584 -0.207 0.000 1.181 720 A CA 1.882 53.795 52.037 -0.206 0.000 0.623 720 A CB -0.872 18.001 19.000 -0.211 0.000 0.818 720 A HN 0.391 nan 8.150 nan 0.000 0.443 721 V N -0.315 119.487 119.914 -0.187 0.000 2.307 721 V HA -0.187 3.934 4.120 0.002 0.000 0.245 721 V C 3.056 179.066 176.094 -0.140 0.000 1.045 721 V CA 1.841 64.039 62.300 -0.170 0.000 1.024 721 V CB -1.245 30.470 31.823 -0.180 0.000 0.651 721 V HN 0.603 nan 8.190 nan 0.000 0.449 722 A N -0.026 122.723 122.820 -0.118 0.000 1.902 722 A HA -0.046 4.275 4.320 0.002 0.000 0.217 722 A C 2.168 179.682 177.584 -0.116 0.000 1.181 722 A CA 2.024 54.053 52.037 -0.013 0.000 0.623 722 A CB -0.573 18.503 19.000 0.127 0.000 0.818 722 A HN 0.609 nan 8.150 nan 0.000 0.443 723 A N -1.751 120.765 122.820 -0.507 0.000 2.275 723 A HA 0.334 4.655 4.320 0.002 0.000 0.212 723 A C 0.731 178.106 177.584 -0.347 0.000 1.201 723 A CA 0.560 52.121 52.037 -0.793 0.000 0.843 723 A CB -0.397 17.867 19.000 -1.226 0.000 0.873 723 A HN 0.555 nan 8.150 nan 0.000 0.492 724 Q N -0.396 119.270 119.800 -0.224 0.000 2.452 724 Q HA -0.174 4.167 4.340 0.002 0.000 0.318 724 Q C -0.657 175.255 176.000 -0.148 0.000 1.386 724 Q CA 0.352 56.066 55.803 -0.148 0.000 0.872 724 Q CB -1.741 26.940 28.738 -0.094 0.000 1.151 724 Q HN 0.676 nan 8.270 nan 0.000 0.417 725 L N -0.383 120.734 121.223 -0.176 0.000 2.453 725 L HA 0.091 4.432 4.340 0.002 0.000 0.261 725 L C -0.864 175.940 176.870 -0.110 0.000 1.179 725 L CA -1.707 53.043 54.840 -0.150 0.000 0.813 725 L CB 0.074 42.029 42.059 -0.173 0.000 1.110 725 L HN -0.003 nan 8.230 nan 0.000 0.466 726 P HA -0.185 nan 4.420 nan 0.000 0.216 726 P C 1.529 178.793 177.300 -0.060 0.000 1.154 726 P CA 1.352 64.418 63.100 -0.056 0.000 0.865 726 P CB -0.068 31.612 31.700 -0.033 0.000 0.789 727 C N -1.144 118.111 119.300 -0.075 0.000 2.472 727 C HA 0.141 4.602 4.460 0.002 0.000 0.278 727 C C 2.527 177.447 174.990 -0.118 0.000 1.447 727 C CA -0.389 58.582 59.018 -0.078 0.000 1.773 727 C CB -1.931 25.760 27.740 -0.083 0.000 1.793 727 C HN 0.140 nan 8.230 nan 0.000 0.544 728 R N 1.630 122.051 120.500 -0.131 0.000 2.115 728 R HA -0.198 4.143 4.340 0.002 0.000 0.239 728 R C 1.743 177.966 176.300 -0.129 0.000 1.133 728 R CA 2.681 58.687 56.100 -0.157 0.000 0.935 728 R CB -0.589 29.621 30.300 -0.149 0.000 0.853 728 R HN 0.483 nan 8.270 nan 0.000 0.433 729 D N 0.015 120.365 120.400 -0.083 0.000 2.144 729 D HA -0.123 4.518 4.640 0.002 0.000 0.199 729 D C 1.759 178.052 176.300 -0.011 0.000 0.984 729 D CA 1.490 55.465 54.000 -0.041 0.000 0.834 729 D CB -0.338 40.447 40.800 -0.025 0.000 0.955 729 D HN 0.437 nan 8.370 nan 0.000 0.465 730 A N 0.846 123.654 122.820 -0.021 0.000 1.877 730 A HA -0.134 4.187 4.320 0.002 0.000 0.216 730 A C 2.403 179.984 177.584 -0.005 0.000 1.186 730 A CA 1.004 53.048 52.037 0.011 0.000 0.620 730 A CB -0.811 18.204 19.000 0.024 0.000 0.822 730 A HN 0.206 nan 8.150 nan 0.000 0.443 731 L N -1.161 119.976 121.223 -0.143 0.000 2.046 731 L HA -0.208 4.133 4.340 0.002 0.000 0.208 731 L C 2.851 179.629 176.870 -0.152 0.000 1.077 731 L CA 1.161 55.765 54.840 -0.393 0.000 0.747 731 L CB -0.655 40.911 42.059 -0.822 0.000 0.896 731 L HN 0.342 nan 8.230 nan 0.000 0.432 732 M N -0.466 119.112 119.600 -0.037 0.000 2.117 732 M HA -0.229 4.253 4.480 0.002 0.000 0.262 732 M C 2.301 178.869 176.300 0.446 0.000 1.065 732 M CA 1.701 57.133 55.300 0.220 0.000 1.114 732 M CB -0.984 31.642 32.600 0.044 0.000 1.361 732 M HN 0.227 nan 8.290 nan 0.000 0.408 733 Q N 0.594 120.547 119.800 0.254 0.000 2.119 733 Q HA -0.150 4.192 4.340 0.002 0.000 0.201 733 Q C 1.835 177.955 176.000 0.200 0.000 0.972 733 Q CA 1.818 57.754 55.803 0.222 0.000 0.847 733 Q CB -0.230 28.591 28.738 0.137 0.000 0.903 733 Q HN 0.570 nan 8.270 nan 0.000 0.433 734 E N -1.454 118.877 120.200 0.218 0.000 2.110 734 E HA -0.221 4.131 4.350 0.002 0.000 0.193 734 E C 1.659 178.447 176.600 0.313 0.000 0.988 734 E CA 0.967 57.518 56.400 0.251 0.000 0.804 734 E CB -0.220 29.687 29.700 0.344 0.000 0.745 734 E HN 0.567 nan 8.360 nan 0.000 0.458 735 Y N 1.158 121.639 120.300 0.301 0.000 2.163 735 Y HA -0.236 4.315 4.550 0.002 0.000 0.288 735 Y C 2.204 178.154 175.900 0.083 0.000 1.136 735 Y CA 1.938 60.246 58.100 0.347 0.000 1.147 735 Y CB -0.096 38.641 38.460 0.462 0.000 0.987 735 Y HN 0.099 nan 8.280 nan 0.000 0.509 736 D N 0.254 120.716 120.400 0.105 0.000 2.106 736 D HA -0.220 4.421 4.640 0.002 0.000 0.191 736 D C 1.610 177.907 176.300 -0.005 0.000 0.997 736 D CA 1.987 55.853 54.000 -0.223 0.000 0.834 736 D CB -0.381 40.235 40.800 -0.307 0.000 0.956 736 D HN 0.381 nan 8.370 nan 0.000 0.448 737 D N -0.176 120.241 120.400 0.028 0.000 2.149 737 D HA -0.149 4.492 4.640 0.002 0.000 0.198 737 D C 1.942 178.256 176.300 0.023 0.000 0.990 737 D CA 0.831 54.851 54.000 0.034 0.000 0.839 737 D CB -0.194 40.612 40.800 0.010 0.000 0.948 737 D HN 0.363 nan 8.370 nan 0.000 0.460 738 K N -1.053 119.263 120.400 -0.140 0.000 2.116 738 K HA -0.077 4.244 4.320 0.002 0.000 0.203 738 K C 1.148 177.360 176.600 -0.647 0.000 1.052 738 K CA 0.718 56.711 56.287 -0.490 0.000 0.952 738 K CB 0.084 32.136 32.500 -0.746 0.000 0.729 738 K HN 0.167 nan 8.250 nan 0.000 0.446 739 W N -0.086 121.086 121.300 -0.213 0.000 2.870 739 W HA 0.128 4.790 4.660 0.002 0.000 0.358 739 W C 1.276 177.656 176.519 -0.232 0.000 1.043 739 W CA -0.222 56.949 57.345 -0.289 0.000 1.692 739 W CB 0.314 29.495 29.460 -0.465 0.000 1.100 739 W HN 0.296 nan 8.180 nan 0.000 0.557 740 H N 0.201 119.276 119.070 0.008 0.000 2.457 740 H HA -0.246 4.312 4.556 0.002 0.000 0.297 740 H C 2.041 177.403 175.328 0.057 0.000 1.092 740 H CA 1.886 57.937 56.048 0.006 0.000 1.309 740 H CB -0.411 29.337 29.762 -0.024 0.000 1.382 740 H HN 0.137 nan 8.280 nan 0.000 0.535 741 Q N 0.755 120.293 119.800 -0.436 0.000 2.435 741 Q HA -0.069 4.272 4.340 0.002 0.000 0.207 741 Q C -0.109 175.868 176.000 -0.037 0.000 0.956 741 Q CA 0.651 56.319 55.803 -0.225 0.000 0.917 741 Q CB -0.080 28.468 28.738 -0.316 0.000 0.997 741 Q HN 0.481 nan 8.270 nan 0.000 0.497 742 N N 0.828 119.543 118.700 0.024 0.000 2.558 742 N HA 0.215 4.956 4.740 0.002 0.000 0.242 742 N C 0.563 176.101 175.510 0.046 0.000 0.979 742 N CA 0.306 53.389 53.050 0.055 0.000 0.931 742 N CB 1.214 39.776 38.487 0.124 0.000 1.122 742 N HN 0.184 nan 8.380 nan 0.000 0.508 743 G N 3.190 112.015 108.800 0.042 0.000 2.440 743 G HA2 -0.190 3.772 3.960 0.002 0.000 0.218 743 G HA3 -0.190 3.772 3.960 0.002 0.000 0.218 743 G C 1.461 176.390 174.900 0.049 0.000 1.154 743 G CA 0.601 45.740 45.100 0.066 0.000 0.767 743 G HN 0.582 nan 8.290 nan 0.000 0.552 744 L N 0.189 121.403 121.223 -0.015 0.000 2.046 744 L HA -0.083 4.258 4.340 0.002 0.000 0.208 744 L C 2.985 179.823 176.870 -0.053 0.000 1.077 744 L CA 0.483 55.295 54.840 -0.046 0.000 0.747 744 L CB -0.489 41.516 42.059 -0.089 0.000 0.896 744 L HN 0.100 nan 8.230 nan 0.000 0.432 745 V N -0.760 119.089 119.914 -0.109 0.000 2.358 745 V HA -0.256 3.865 4.120 0.002 0.000 0.246 745 V C 2.536 178.659 176.094 0.048 0.000 1.047 745 V CA 1.344 63.532 62.300 -0.186 0.000 1.035 745 V CB -0.398 31.083 31.823 -0.570 0.000 0.658 745 V HN 0.372 nan 8.190 nan 0.000 0.452 746 M N -0.425 119.220 119.600 0.075 0.000 2.296 746 M HA -0.118 4.363 4.480 0.002 0.000 0.265 746 M C 1.896 178.275 176.300 0.131 0.000 1.064 746 M CA 1.226 56.562 55.300 0.060 0.000 1.109 746 M CB -1.326 31.251 32.600 -0.038 0.000 1.396 746 M HN 0.344 nan 8.290 nan 0.000 0.430 747 D N 0.969 121.510 120.400 0.236 0.000 2.133 747 D HA -0.176 4.465 4.640 0.002 0.000 0.195 747 D C 1.937 178.362 176.300 0.208 0.000 0.997 747 D CA 1.282 55.460 54.000 0.297 0.000 0.840 747 D CB -0.126 40.767 40.800 0.155 0.000 0.947 747 D HN 0.417 nan 8.370 nan 0.000 0.452 748 K N -0.627 119.847 120.400 0.123 0.000 2.097 748 K HA -0.160 4.162 4.320 0.002 0.000 0.206 748 K C 2.103 178.707 176.600 0.006 0.000 1.049 748 K CA 0.922 57.244 56.287 0.058 0.000 0.933 748 K CB -0.208 32.321 32.500 0.049 0.000 0.717 748 K HN 0.235 nan 8.250 nan 0.000 0.442 749 W N 0.868 122.006 121.300 -0.270 0.000 2.409 749 W HA -0.111 4.550 4.660 0.002 0.000 0.299 749 W C 1.532 177.887 176.519 -0.274 0.000 1.203 749 W CA 1.115 58.200 57.345 -0.432 0.000 1.298 749 W CB -0.149 28.997 29.460 -0.523 0.000 1.127 749 W HN -0.115 nan 8.180 nan 0.000 0.528 750 F N 0.601 120.681 119.950 0.217 0.000 2.126 750 F HA -0.229 4.299 4.527 0.002 0.000 0.299 750 F C 2.227 177.992 175.800 -0.058 0.000 1.096 750 F CA 1.639 59.672 58.000 0.055 0.000 1.255 750 F CB -1.367 37.731 39.000 0.163 0.000 0.997 750 F HN -0.148 nan 8.300 nan 0.000 0.479 751 I N -0.479 120.183 120.570 0.154 0.000 2.179 751 I HA -0.322 3.849 4.170 0.002 0.000 0.242 751 I C 2.381 178.475 176.117 -0.038 0.000 1.088 751 I CA 1.202 62.536 61.300 0.056 0.000 1.357 751 I CB -0.550 37.477 38.000 0.046 0.000 1.051 751 I HN 0.099 nan 8.210 nan 0.000 0.409 752 L N -0.102 121.044 121.223 -0.127 0.000 2.042 752 L HA -0.243 4.098 4.340 0.002 0.000 0.210 752 L C 2.784 179.505 176.870 -0.249 0.000 1.076 752 L CA 1.261 55.977 54.840 -0.206 0.000 0.749 752 L CB -0.706 41.172 42.059 -0.301 0.000 0.893 752 L HN 0.353 nan 8.230 nan 0.000 0.432 753 Q N -0.159 119.433 119.800 -0.347 0.000 2.050 753 Q HA -0.187 4.154 4.340 0.002 0.000 0.202 753 Q C 2.416 178.332 176.000 -0.139 0.000 0.980 753 Q CA 1.846 57.450 55.803 -0.331 0.000 0.840 753 Q CB -0.372 28.099 28.738 -0.444 0.000 0.898 753 Q HN 0.548 nan 8.270 nan 0.000 0.424 754 A N 0.961 123.754 122.820 -0.045 0.000 1.969 754 A HA -0.106 4.215 4.320 0.002 0.000 0.218 754 A C 2.036 179.683 177.584 0.105 0.000 1.169 754 A CA 1.881 53.968 52.037 0.083 0.000 0.635 754 A CB -0.451 18.624 19.000 0.126 0.000 0.810 754 A HN 0.491 nan 8.150 nan 0.000 0.445 755 T N -2.983 111.578 114.554 0.012 0.000 3.145 755 T HA 0.292 4.644 4.350 0.002 0.000 0.255 755 T C 0.647 175.331 174.700 -0.027 0.000 1.039 755 T CA 0.468 62.563 62.100 -0.009 0.000 0.928 755 T CB -0.383 68.471 68.868 -0.022 0.000 1.029 755 T HN 0.247 nan 8.240 nan 0.000 0.554 756 S N 3.235 118.911 115.700 -0.041 0.000 2.549 756 S HA 0.202 4.673 4.470 0.002 0.000 0.286 756 S C -1.099 173.485 174.600 -0.028 0.000 1.314 756 S CA -1.139 57.026 58.200 -0.059 0.000 1.062 756 S CB 0.868 64.010 63.200 -0.098 0.000 0.865 756 S HN 0.237 nan 8.310 nan 0.000 0.498 757 P HA 0.162 nan 4.420 nan 0.000 0.245 757 P C 0.154 177.446 177.300 -0.012 0.000 1.212 757 P CA 0.093 63.190 63.100 -0.006 0.000 0.774 757 P CB -0.314 31.398 31.700 0.019 0.000 0.999 758 A N 0.644 123.446 122.820 -0.031 0.000 2.531 758 A HA 0.343 4.665 4.320 0.002 0.000 0.236 758 A C 1.858 179.426 177.584 -0.026 0.000 1.062 758 A CA 0.429 52.445 52.037 -0.036 0.000 0.760 758 A CB -0.004 18.961 19.000 -0.058 0.000 0.995 758 A HN 0.187 nan 8.150 nan 0.000 0.501 759 A N 2.258 125.063 122.820 -0.025 0.000 1.948 759 A HA -0.183 4.139 4.320 0.002 0.000 0.220 759 A C 1.538 179.104 177.584 -0.031 0.000 1.177 759 A CA 1.863 53.887 52.037 -0.022 0.000 0.636 759 A CB -0.580 18.407 19.000 -0.021 0.000 0.815 759 A HN 1.065 nan 8.150 nan 0.000 0.449 760 N N 0.238 118.912 118.700 -0.044 0.000 2.295 760 N HA 0.035 4.776 4.740 0.002 0.000 0.221 760 N C 0.937 176.398 175.510 -0.082 0.000 1.129 760 N CA 0.594 53.608 53.050 -0.061 0.000 0.836 760 N CB -0.237 38.213 38.487 -0.061 0.000 1.040 760 N HN 0.190 nan 8.380 nan 0.000 0.494 761 V N 0.439 120.318 119.914 -0.059 0.000 2.287 761 V HA -0.227 3.894 4.120 0.002 0.000 0.248 761 V C 2.096 178.095 176.094 -0.159 0.000 1.053 761 V CA 1.466 63.729 62.300 -0.062 0.000 1.027 761 V CB -0.432 31.409 31.823 0.030 0.000 0.646 761 V HN 0.352 nan 8.190 nan 0.000 0.447 762 L N 0.658 121.775 121.223 -0.177 0.000 2.046 762 L HA -0.167 4.174 4.340 0.002 0.000 0.208 762 L C 2.478 179.081 176.870 -0.445 0.000 1.077 762 L CA 2.731 57.298 54.840 -0.456 0.000 0.747 762 L CB -1.075 40.776 42.059 -0.346 0.000 0.896 762 L HN 0.620 nan 8.230 nan 0.000 0.432 763 E N -1.285 118.758 120.200 -0.261 0.000 2.070 763 E HA -0.258 4.094 4.350 0.002 0.000 0.197 763 E C 1.845 178.323 176.600 -0.204 0.000 1.004 763 E CA 2.089 58.367 56.400 -0.204 0.000 0.805 763 E CB -0.122 29.502 29.700 -0.127 0.000 0.744 763 E HN 0.586 nan 8.360 nan 0.000 0.451 764 T N 0.403 114.843 114.554 -0.190 0.000 2.708 764 T HA -0.130 4.221 4.350 0.002 0.000 0.266 764 T C 1.955 176.531 174.700 -0.207 0.000 1.037 764 T CA 1.347 63.351 62.100 -0.161 0.000 1.146 764 T CB -0.268 68.511 68.868 -0.148 0.000 0.865 764 T HN 0.034 nan 8.240 nan 0.000 0.435 765 V N 1.525 121.242 119.914 -0.328 0.000 2.287 765 V HA -0.212 3.909 4.120 0.002 0.000 0.248 765 V C 2.683 178.522 176.094 -0.424 0.000 1.053 765 V CA 1.694 63.742 62.300 -0.420 0.000 1.027 765 V CB -0.575 30.834 31.823 -0.688 0.000 0.646 765 V HN 0.389 nan 8.190 nan 0.000 0.447 766 R N -0.028 120.172 120.500 -0.500 0.000 2.083 766 R HA -0.152 4.189 4.340 0.002 0.000 0.237 766 R C 2.473 178.687 176.300 -0.144 0.000 1.137 766 R CA 1.626 57.542 56.100 -0.306 0.000 0.951 766 R CB -0.945 29.188 30.300 -0.279 0.000 0.851 766 R HN 0.608 nan 8.270 nan 0.000 0.434 767 G N 1.009 109.736 108.800 -0.122 0.000 2.422 767 G HA2 -0.222 3.739 3.960 0.002 0.000 0.218 767 G HA3 -0.222 3.739 3.960 0.002 0.000 0.218 767 G C 1.390 176.298 174.900 0.015 0.000 1.146 767 G CA 0.418 45.497 45.100 -0.035 0.000 0.769 767 G HN 0.172 nan 8.290 nan 0.000 0.547 768 L N 0.234 121.447 121.223 -0.015 0.000 2.456 768 L HA 0.090 4.431 4.340 0.002 0.000 0.224 768 L C 2.545 179.339 176.870 -0.127 0.000 1.148 768 L CA -0.025 54.856 54.840 0.068 0.000 0.825 768 L CB -0.235 41.874 42.059 0.084 0.000 0.937 768 L HN 0.202 nan 8.230 nan 0.000 0.450 769 L N -0.542 120.526 121.223 -0.257 0.000 2.261 769 L HA -0.199 4.142 4.340 0.002 0.000 0.216 769 L C 2.043 178.977 176.870 0.106 0.000 1.114 769 L CA 0.799 55.471 54.840 -0.280 0.000 0.777 769 L CB -0.344 41.651 42.059 -0.107 0.000 0.910 769 L HN 0.401 nan 8.230 nan 0.000 0.440 770 Q N -1.806 118.070 119.800 0.126 0.000 2.282 770 Q HA 0.098 4.439 4.340 0.002 0.000 0.206 770 Q C 0.483 176.619 176.000 0.226 0.000 0.878 770 Q CA 0.093 55.998 55.803 0.170 0.000 0.944 770 Q CB -0.158 28.642 28.738 0.103 0.000 1.100 770 Q HN 0.427 nan 8.270 nan 0.000 0.509 771 H N 2.288 121.496 119.070 0.230 0.000 2.897 771 H HA 0.002 4.559 4.556 0.002 0.000 0.347 771 H C 1.342 176.846 175.328 0.293 0.000 1.068 771 H CA 0.581 56.805 56.048 0.293 0.000 1.426 771 H CB 0.860 30.913 29.762 0.486 0.000 1.410 771 H HN 0.176 nan 8.280 nan 0.000 0.597 772 R N 1.856 122.255 120.500 -0.168 0.000 2.170 772 R HA -0.098 4.243 4.340 0.002 0.000 0.242 772 R C 1.142 177.610 176.300 0.280 0.000 1.145 772 R CA 1.870 57.974 56.100 0.008 0.000 0.984 772 R CB -0.139 30.067 30.300 -0.156 0.000 0.869 772 R HN 0.252 nan 8.270 nan 0.000 0.455 773 S N -0.386 115.708 115.700 0.656 0.000 2.556 773 S HA 0.145 4.617 4.470 0.002 0.000 0.216 773 S C -0.280 174.709 174.600 0.648 0.000 0.970 773 S CA -0.473 58.096 58.200 0.614 0.000 0.912 773 S CB 0.025 63.560 63.200 0.560 0.000 0.790 773 S HN 0.277 nan 8.310 nan 0.000 0.504 774 F N 2.263 122.492 119.950 0.464 0.000 2.422 774 F HA 0.615 5.143 4.527 0.002 0.000 0.333 774 F C 0.026 175.880 175.800 0.089 0.000 1.095 774 F CA -0.107 57.965 58.000 0.120 0.000 1.038 774 F CB 1.609 40.569 39.000 -0.066 0.000 1.156 774 F HN -0.153 nan 8.300 nan 0.000 0.483 775 T N 6.821 120.784 114.554 -0.985 0.000 3.041 775 T HA 0.229 4.580 4.350 0.002 0.000 0.321 775 T C 0.546 174.737 174.700 -0.849 0.000 1.184 775 T CA -0.759 60.955 62.100 -0.644 0.000 1.050 775 T CB 1.042 69.801 68.868 -0.182 0.000 1.159 775 T HN 0.651 nan 8.240 nan 0.000 0.469 776 M N 2.822 122.170 119.600 -0.420 0.000 2.549 776 M HA 0.012 4.494 4.480 0.002 0.000 0.260 776 M C 2.262 178.495 176.300 -0.112 0.000 1.076 776 M CA 1.079 56.264 55.300 -0.192 0.000 1.090 776 M CB -1.219 31.383 32.600 0.003 0.000 1.418 776 M HN 0.802 nan 8.290 nan 0.000 0.486 777 S N -0.559 115.101 115.700 -0.067 0.000 2.522 777 S HA -0.001 4.470 4.470 0.002 0.000 0.227 777 S C 0.796 175.516 174.600 0.200 0.000 0.986 777 S CA -0.034 58.206 58.200 0.066 0.000 0.929 777 S CB -0.171 63.098 63.200 0.115 0.000 0.769 777 S HN 0.475 nan 8.310 nan 0.000 0.529 778 N N 1.644 120.352 118.700 0.012 0.000 2.479 778 N HA 0.345 5.087 4.740 0.002 0.000 0.261 778 N C -2.585 172.838 175.510 -0.146 0.000 0.979 778 N CA -1.961 51.026 53.050 -0.105 0.000 0.930 778 N CB 2.070 40.349 38.487 -0.346 0.000 1.172 778 N HN -0.106 nan 8.380 nan 0.000 0.499 779 P HA -0.091 nan 4.420 nan 0.000 0.216 779 P C 0.840 178.091 177.300 -0.082 0.000 1.150 779 P CA 1.148 64.202 63.100 -0.078 0.000 0.843 779 P CB 0.455 32.116 31.700 -0.064 0.000 0.787 780 N N -0.885 117.752 118.700 -0.105 0.000 2.084 780 N HA -0.130 4.612 4.740 0.002 0.000 0.190 780 N C 1.717 177.199 175.510 -0.046 0.000 1.030 780 N CA 1.118 54.121 53.050 -0.078 0.000 0.849 780 N CB -0.587 37.840 38.487 -0.101 0.000 1.012 780 N HN 0.075 nan 8.380 nan 0.000 0.423 781 R N 0.915 121.352 120.500 -0.104 0.000 2.081 781 R HA 0.022 4.363 4.340 0.002 0.000 0.235 781 R C 2.373 178.679 176.300 0.009 0.000 1.131 781 R CA 0.578 56.614 56.100 -0.107 0.000 0.960 781 R CB -1.071 28.994 30.300 -0.391 0.000 0.856 781 R HN 0.357 nan 8.270 nan 0.000 0.436 782 I N 0.686 121.235 120.570 -0.036 0.000 2.163 782 I HA -0.290 3.882 4.170 0.002 0.000 0.243 782 I C 2.573 178.742 176.117 0.087 0.000 1.085 782 I CA 1.487 62.846 61.300 0.097 0.000 1.347 782 I CB -0.257 37.749 38.000 0.011 0.000 1.044 782 I HN 0.120 nan 8.210 nan 0.000 0.408 783 R N 0.497 121.016 120.500 0.032 0.000 2.096 783 R HA -0.136 4.206 4.340 0.002 0.000 0.235 783 R C 2.539 178.872 176.300 0.055 0.000 1.127 783 R CA 1.779 57.895 56.100 0.027 0.000 0.968 783 R CB -0.409 29.891 30.300 0.001 0.000 0.861 783 R HN 0.483 nan 8.270 nan 0.000 0.440 784 S N 0.254 116.002 115.700 0.081 0.000 2.406 784 S HA -0.072 4.400 4.470 0.002 0.000 0.228 784 S C 1.803 176.489 174.600 0.143 0.000 1.020 784 S CA 0.635 58.913 58.200 0.129 0.000 0.965 784 S CB -0.034 63.295 63.200 0.214 0.000 0.798 784 S HN 0.187 nan 8.310 nan 0.000 0.488 785 L N 0.831 122.106 121.223 0.086 0.000 2.276 785 L HA 0.494 4.835 4.340 0.002 0.000 0.194 785 L C 2.146 179.063 176.870 0.077 0.000 1.099 785 L CA 1.082 55.929 54.840 0.012 0.000 0.800 785 L CB -0.542 41.342 42.059 -0.292 0.000 0.994 785 L HN 0.265 nan 8.230 nan 0.000 0.475 786 I N -0.356 120.274 120.570 0.100 0.000 2.277 786 I HA -0.072 4.100 4.170 0.002 0.000 0.243 786 I C 2.424 178.635 176.117 0.156 0.000 1.094 786 I CA 1.153 62.555 61.300 0.170 0.000 1.393 786 I CB -1.066 36.991 38.000 0.094 0.000 1.078 786 I HN 0.400 nan 8.210 nan 0.000 0.417 787 G N 0.717 109.563 108.800 0.077 0.000 2.440 787 G HA2 -0.247 3.714 3.960 0.002 0.000 0.218 787 G HA3 -0.247 3.714 3.960 0.002 0.000 0.218 787 G C 1.861 176.771 174.900 0.017 0.000 1.154 787 G CA 0.898 46.011 45.100 0.021 0.000 0.767 787 G HN 0.479 nan 8.290 nan 0.000 0.552 788 A N 0.263 123.118 122.820 0.058 0.000 1.930 788 A HA 0.100 4.421 4.320 0.002 0.000 0.217 788 A C 2.145 179.762 177.584 0.054 0.000 1.175 788 A CA 1.528 53.593 52.037 0.046 0.000 0.627 788 A CB -0.517 18.523 19.000 0.067 0.000 0.815 788 A HN 0.395 nan 8.150 nan 0.000 0.443 789 F N 1.051 120.989 119.950 -0.020 0.000 2.051 789 F HA -0.099 4.430 4.527 0.002 0.000 0.296 789 F C 2.511 178.277 175.800 -0.056 0.000 1.122 789 F CA 1.573 59.566 58.000 -0.011 0.000 1.201 789 F CB -0.538 38.487 39.000 0.041 0.000 0.978 789 F HN 0.230 nan 8.300 nan 0.000 0.472 790 A N -0.291 122.433 122.820 -0.159 0.000 1.929 790 A HA 0.077 4.398 4.320 0.002 0.000 0.216 790 A C 2.358 179.528 177.584 -0.689 0.000 1.176 790 A CA 1.504 53.112 52.037 -0.715 0.000 0.628 790 A CB -1.595 17.017 19.000 -0.647 0.000 0.816 790 A HN 0.532 nan 8.150 nan 0.000 0.444 791 G N -1.973 106.629 108.800 -0.330 0.000 2.545 791 G HA2 0.167 4.128 3.960 0.002 0.000 0.212 791 G HA3 0.167 4.128 3.960 0.002 0.000 0.212 791 G C 1.316 176.149 174.900 -0.111 0.000 1.144 791 G CA 1.043 46.025 45.100 -0.197 0.000 0.813 791 G HN 0.457 nan 8.290 nan 0.000 0.531 792 S N -0.025 115.612 115.700 -0.105 0.000 2.603 792 S HA 0.187 4.658 4.470 0.002 0.000 0.232 792 S C 0.530 175.086 174.600 -0.073 0.000 1.016 792 S CA -0.412 57.753 58.200 -0.058 0.000 0.976 792 S CB 0.310 63.492 63.200 -0.030 0.000 0.921 792 S HN 0.254 nan 8.310 nan 0.000 0.516 793 N N 2.200 120.811 118.700 -0.149 0.000 2.757 793 N HA 0.261 5.003 4.740 0.002 0.000 0.296 793 N C -2.257 173.149 175.510 -0.173 0.000 1.874 793 N CA -2.011 50.937 53.050 -0.170 0.000 0.885 793 N CB 0.890 39.239 38.487 -0.230 0.000 1.242 793 N HN 0.043 nan 8.380 nan 0.000 0.488 794 P HA -0.112 nan 4.420 nan 0.000 0.219 794 P C 1.102 178.501 177.300 0.165 0.000 1.146 794 P CA 0.843 64.048 63.100 0.175 0.000 0.808 794 P CB 0.347 32.211 31.700 0.274 0.000 0.779 795 A N 0.529 123.378 122.820 0.047 0.000 1.902 795 A HA -0.068 4.253 4.320 0.002 0.000 0.217 795 A C 2.459 180.028 177.584 -0.024 0.000 1.181 795 A CA 2.298 54.347 52.037 0.021 0.000 0.623 795 A CB -1.442 17.552 19.000 -0.011 0.000 0.818 795 A HN 0.255 nan 8.150 nan 0.000 0.443 796 A N -1.593 121.171 122.820 -0.092 0.000 1.898 796 A HA 0.133 4.455 4.320 0.002 0.000 0.214 796 A C 1.991 179.441 177.584 -0.223 0.000 1.183 796 A CA 1.260 53.231 52.037 -0.110 0.000 0.622 796 A CB -0.663 18.316 19.000 -0.035 0.000 0.824 796 A HN 0.629 nan 8.150 nan 0.000 0.444 797 F N 0.724 120.292 119.950 -0.637 0.000 2.161 797 F HA -0.182 4.346 4.527 0.002 0.000 0.300 797 F C 1.727 177.163 175.800 -0.607 0.000 1.089 797 F CA 1.743 59.339 58.000 -0.674 0.000 1.282 797 F CB -0.173 38.402 39.000 -0.709 0.000 1.010 797 F HN 0.367 nan 8.300 nan 0.000 0.485 798 H N 0.458 119.301 119.070 -0.377 0.000 2.568 798 H HA 0.436 4.993 4.556 0.002 0.000 0.302 798 H C 0.706 175.842 175.328 -0.319 0.000 1.065 798 H CA 0.222 56.022 56.048 -0.414 0.000 1.140 798 H CB -0.919 28.753 29.762 -0.150 0.000 1.474 798 H HN 0.190 nan 8.280 nan 0.000 0.545 799 A N 1.045 123.702 122.820 -0.272 0.000 2.565 799 A HA -0.071 4.250 4.320 0.002 0.000 0.237 799 A C 1.453 178.936 177.584 -0.170 0.000 1.053 799 A CA 0.012 51.947 52.037 -0.170 0.000 0.755 799 A CB 0.378 19.286 19.000 -0.153 0.000 0.980 799 A HN 0.481 nan 8.150 nan 0.000 0.506 800 E N 1.035 121.191 120.200 -0.073 0.000 2.204 800 E HA -0.213 4.138 4.350 0.002 0.000 0.195 800 E C 0.805 177.381 176.600 -0.041 0.000 0.990 800 E CA 1.360 57.741 56.400 -0.033 0.000 0.821 800 E CB -0.020 29.677 29.700 -0.004 0.000 0.750 800 E HN 0.931 nan 8.360 nan 0.000 0.477 801 D N -0.515 119.845 120.400 -0.068 0.000 2.363 801 D HA -0.039 4.602 4.640 0.002 0.000 0.220 801 D C 1.344 177.600 176.300 -0.074 0.000 0.994 801 D CA 0.891 54.858 54.000 -0.055 0.000 0.890 801 D CB -0.127 40.644 40.800 -0.049 0.000 0.906 801 D HN 0.193 nan 8.370 nan 0.000 0.530 802 G N 0.176 108.877 108.800 -0.166 0.000 2.162 802 G HA2 -0.384 3.577 3.960 0.002 0.000 0.260 802 G HA3 -0.384 3.577 3.960 0.002 0.000 0.260 802 G C 1.231 175.974 174.900 -0.262 0.000 0.976 802 G CA 1.103 46.071 45.100 -0.221 0.000 0.655 802 G HN 0.660 nan 8.290 nan 0.000 0.533 803 S N -0.315 115.257 115.700 -0.213 0.000 2.382 803 S HA 0.072 4.543 4.470 0.002 0.000 0.228 803 S C 2.509 177.058 174.600 -0.086 0.000 1.027 803 S CA 1.671 59.804 58.200 -0.112 0.000 0.991 803 S CB -0.775 62.375 63.200 -0.083 0.000 0.823 803 S HN 1.563 nan 8.310 nan 0.000 0.469 804 G N 0.670 109.321 108.800 -0.248 0.000 2.418 804 G HA2 -0.130 3.831 3.960 0.002 0.000 0.217 804 G HA3 -0.130 3.831 3.960 0.002 0.000 0.217 804 G C 1.204 176.079 174.900 -0.042 0.000 1.158 804 G CA 0.974 46.035 45.100 -0.065 0.000 0.771 804 G HN 0.608 nan 8.290 nan 0.000 0.545 805 Y N 0.754 120.915 120.300 -0.232 0.000 2.200 805 Y HA 0.079 4.630 4.550 0.002 0.000 0.290 805 Y C 2.766 178.692 175.900 0.042 0.000 1.137 805 Y CA 0.180 58.198 58.100 -0.137 0.000 1.163 805 Y CB -0.907 37.428 38.460 -0.207 0.000 0.988 805 Y HN 0.074 nan 8.280 nan 0.000 0.518 806 L N -1.590 119.730 121.223 0.162 0.000 2.046 806 L HA -0.219 4.122 4.340 0.002 0.000 0.208 806 L C 2.351 179.315 176.870 0.156 0.000 1.077 806 L CA 1.495 56.414 54.840 0.132 0.000 0.747 806 L CB -0.741 41.372 42.059 0.089 0.000 0.896 806 L HN 0.177 nan 8.230 nan 0.000 0.432 807 F N 0.836 120.815 119.950 0.048 0.000 2.102 807 F HA -0.262 4.266 4.527 0.002 0.000 0.298 807 F C 2.254 178.106 175.800 0.086 0.000 1.105 807 F CA 1.535 59.553 58.000 0.030 0.000 1.239 807 F CB -0.305 38.678 39.000 -0.028 0.000 0.991 807 F HN -0.091 nan 8.300 nan 0.000 0.474 808 L N -0.034 121.242 121.223 0.089 0.000 2.046 808 L HA -0.140 4.201 4.340 0.002 0.000 0.208 808 L C 2.300 179.142 176.870 -0.046 0.000 1.077 808 L CA 1.529 56.372 54.840 0.005 0.000 0.747 808 L CB -0.976 41.279 42.059 0.326 0.000 0.896 808 L HN 0.077 nan 8.230 nan 0.000 0.432 809 V N -0.202 119.730 119.914 0.031 0.000 2.282 809 V HA -0.353 3.768 4.120 0.002 0.000 0.249 809 V C 2.599 178.666 176.094 -0.045 0.000 1.057 809 V CA 2.156 64.462 62.300 0.009 0.000 1.032 809 V CB -0.692 31.156 31.823 0.042 0.000 0.645 809 V HN 0.601 nan 8.190 nan 0.000 0.447 810 E N -0.601 119.552 120.200 -0.079 0.000 2.077 810 E HA -0.243 4.108 4.350 0.002 0.000 0.193 810 E C 2.296 178.806 176.600 -0.151 0.000 0.989 810 E CA 1.466 57.808 56.400 -0.097 0.000 0.800 810 E CB -0.043 29.608 29.700 -0.082 0.000 0.746 810 E HN 0.396 nan 8.360 nan 0.000 0.452 811 M N 0.215 119.647 119.600 -0.279 0.000 2.132 811 M HA -0.111 4.370 4.480 0.002 0.000 0.263 811 M C 2.399 178.623 176.300 -0.127 0.000 1.065 811 M CA 1.148 56.298 55.300 -0.250 0.000 1.122 811 M CB -0.833 31.523 32.600 -0.407 0.000 1.365 811 M HN 0.212 nan 8.290 nan 0.000 0.411 812 L N -0.639 120.522 121.223 -0.103 0.000 2.201 812 L HA -0.147 4.194 4.340 0.002 0.000 0.212 812 L C 2.370 179.219 176.870 -0.036 0.000 1.105 812 L CA 0.911 55.718 54.840 -0.055 0.000 0.775 812 L CB -0.947 41.093 42.059 -0.032 0.000 0.913 812 L HN 0.305 nan 8.230 nan 0.000 0.440 813 T N -1.014 113.518 114.554 -0.036 0.000 2.746 813 T HA -0.223 4.128 4.350 0.002 0.000 0.267 813 T C 1.618 176.306 174.700 -0.019 0.000 1.039 813 T CA 1.638 63.726 62.100 -0.020 0.000 1.142 813 T CB -0.209 68.650 68.868 -0.015 0.000 0.866 813 T HN 0.406 nan 8.240 nan 0.000 0.444 814 D N 1.215 121.599 120.400 -0.028 0.000 2.077 814 D HA -0.059 4.582 4.640 0.002 0.000 0.196 814 D C 2.130 178.416 176.300 -0.022 0.000 0.986 814 D CA 1.040 55.028 54.000 -0.020 0.000 0.829 814 D CB -0.266 40.523 40.800 -0.018 0.000 0.983 814 D HN 0.319 nan 8.370 nan 0.000 0.453 815 L N 0.526 121.731 121.223 -0.031 0.000 2.201 815 L HA -0.130 4.211 4.340 0.002 0.000 0.212 815 L C 2.361 179.211 176.870 -0.032 0.000 1.105 815 L CA 0.831 55.651 54.840 -0.034 0.000 0.775 815 L CB -0.612 41.422 42.059 -0.041 0.000 0.913 815 L HN 0.112 nan 8.230 nan 0.000 0.440 816 N N -0.199 118.487 118.700 -0.024 0.000 2.094 816 N HA -0.204 4.537 4.740 0.002 0.000 0.191 816 N C 1.823 177.324 175.510 -0.015 0.000 1.023 816 N CA 1.958 54.999 53.050 -0.015 0.000 0.857 816 N CB 0.043 38.528 38.487 -0.003 0.000 1.013 816 N HN 0.126 nan 8.380 nan 0.000 0.426 817 S N -0.697 114.994 115.700 -0.015 0.000 2.388 817 S HA 0.060 4.531 4.470 0.002 0.000 0.223 817 S C 1.812 176.398 174.600 -0.024 0.000 1.034 817 S CA 0.304 58.495 58.200 -0.014 0.000 0.963 817 S CB -0.112 63.083 63.200 -0.008 0.000 0.827 817 S HN 0.362 nan 8.310 nan 0.000 0.481 818 R N 1.166 121.649 120.500 -0.029 0.000 2.062 818 R HA 0.087 4.428 4.340 0.002 0.000 0.226 818 R C -0.041 176.223 176.300 -0.060 0.000 1.125 818 R CA 1.102 57.179 56.100 -0.039 0.000 0.966 818 R CB 0.158 30.439 30.300 -0.033 0.000 0.861 818 R HN 0.221 nan 8.270 nan 0.000 0.433 819 N N -0.654 118.007 118.700 -0.065 0.000 2.839 819 N HA 0.153 4.894 4.740 0.002 0.000 0.230 819 N C -2.515 172.946 175.510 -0.083 0.000 1.388 819 N CA -1.374 51.621 53.050 -0.092 0.000 0.747 819 N CB 1.699 40.126 38.487 -0.100 0.000 1.411 819 N HN -0.119 nan 8.380 nan 0.000 0.556 820 P HA -0.149 nan 4.420 nan 0.000 0.218 820 P C 1.327 178.583 177.300 -0.073 0.000 1.148 820 P CA 1.145 64.210 63.100 -0.059 0.000 0.822 820 P CB 0.568 32.242 31.700 -0.044 0.000 0.784 821 Q N -0.291 119.446 119.800 -0.105 0.000 2.020 821 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 821 Q C 1.926 177.861 176.000 -0.108 0.000 0.982 821 Q CA 1.685 57.415 55.803 -0.122 0.000 0.838 821 Q CB -0.496 28.135 28.738 -0.178 0.000 0.899 821 Q HN 0.024 nan 8.270 nan 0.000 0.423 822 V N 0.803 120.653 119.914 -0.107 0.000 2.427 822 V HA -0.255 3.866 4.120 0.002 0.000 0.248 822 V C 2.318 178.372 176.094 -0.067 0.000 1.051 822 V CA 1.603 63.851 62.300 -0.087 0.000 1.048 822 V CB -1.071 30.702 31.823 -0.083 0.000 0.666 822 V HN 0.501 nan 8.190 nan 0.000 0.456 823 A N -0.483 122.300 122.820 -0.061 0.000 1.892 823 A HA -0.282 4.039 4.320 0.002 0.000 0.218 823 A C 2.571 180.128 177.584 -0.045 0.000 1.188 823 A CA 2.479 54.487 52.037 -0.048 0.000 0.631 823 A CB -0.880 18.097 19.000 -0.039 0.000 0.822 823 A HN 0.484 nan 8.150 nan 0.000 0.447 824 S N -1.035 114.636 115.700 -0.049 0.000 2.383 824 S HA -0.178 4.293 4.470 0.002 0.000 0.227 824 S C 2.199 176.765 174.600 -0.056 0.000 1.026 824 S CA 1.392 59.562 58.200 -0.049 0.000 0.981 824 S CB -0.398 62.771 63.200 -0.052 0.000 0.818 824 S HN 0.615 nan 8.310 nan 0.000 0.472 825 R N -0.132 120.331 120.500 -0.062 0.000 2.083 825 R HA -0.060 4.281 4.340 0.002 0.000 0.237 825 R C 1.846 178.112 176.300 -0.057 0.000 1.137 825 R CA 1.592 57.656 56.100 -0.060 0.000 0.951 825 R CB -0.372 29.890 30.300 -0.063 0.000 0.851 825 R HN 0.368 nan 8.270 nan 0.000 0.434 826 L N 0.553 121.743 121.223 -0.056 0.000 2.313 826 L HA 0.006 4.347 4.340 0.002 0.000 0.214 826 L C 2.080 178.911 176.870 -0.066 0.000 1.119 826 L CA 1.030 55.832 54.840 -0.063 0.000 0.809 826 L CB -0.228 41.799 42.059 -0.053 0.000 0.933 826 L HN 0.273 nan 8.230 nan 0.000 0.449 827 I N -1.006 119.537 120.570 -0.044 0.000 2.928 827 I HA -0.189 3.982 4.170 0.002 0.000 0.266 827 I C 2.261 178.366 176.117 -0.020 0.000 1.234 827 I CA 0.402 61.689 61.300 -0.022 0.000 1.483 827 I CB 0.278 38.271 38.000 -0.012 0.000 1.097 827 I HN 0.247 nan 8.210 nan 0.000 0.455 828 E N 1.609 121.787 120.200 -0.036 0.000 2.086 828 E HA -0.233 4.118 4.350 0.002 0.000 0.200 828 E C -0.794 175.809 176.600 0.006 0.000 1.012 828 E CA 2.113 58.503 56.400 -0.017 0.000 0.812 828 E CB -0.996 28.690 29.700 -0.023 0.000 0.743 828 E HN 0.363 nan 8.360 nan 0.000 0.453 829 P HA -0.142 nan 4.420 nan 0.000 0.218 829 P C 1.138 178.536 177.300 0.163 0.000 1.148 829 P CA 1.099 64.187 63.100 -0.019 0.000 0.822 829 P CB -0.003 31.445 31.700 -0.420 0.000 0.784 830 L N -1.320 119.994 121.223 0.151 0.000 2.217 830 L HA -0.084 4.258 4.340 0.002 0.000 0.211 830 L C 1.984 178.905 176.870 0.085 0.000 1.107 830 L CA 0.767 55.706 54.840 0.164 0.000 0.783 830 L CB -0.571 41.566 42.059 0.130 0.000 0.919 830 L HN -0.048 nan 8.230 nan 0.000 0.442 831 I N -0.293 120.324 120.570 0.078 0.000 2.614 831 I HA -0.168 4.003 4.170 0.002 0.000 0.258 831 I C 1.918 178.094 176.117 0.098 0.000 1.189 831 I CA 1.040 62.377 61.300 0.062 0.000 1.462 831 I CB -0.934 37.089 38.000 0.039 0.000 1.092 831 I HN 0.271 nan 8.210 nan 0.000 0.442 832 R N 1.577 122.173 120.500 0.161 0.000 2.328 832 R HA 0.056 4.398 4.340 0.002 0.000 0.206 832 R C 2.112 178.601 176.300 0.315 0.000 0.990 832 R CA 0.078 56.319 56.100 0.236 0.000 1.085 832 R CB -0.882 29.619 30.300 0.333 0.000 0.998 832 R HN 0.525 nan 8.270 nan 0.000 0.484 833 L N -1.184 120.165 121.223 0.210 0.000 2.129 833 L HA -0.122 4.219 4.340 0.002 0.000 0.212 833 L C 1.566 178.566 176.870 0.217 0.000 1.087 833 L CA 1.564 56.521 54.840 0.196 0.000 0.757 833 L CB -0.502 41.580 42.059 0.039 0.000 0.896 833 L HN -0.070 nan 8.230 nan 0.000 0.434 834 K N -0.076 120.408 120.400 0.139 0.000 2.504 834 K HA 0.010 4.331 4.320 0.002 0.000 0.195 834 K C 1.760 178.393 176.600 0.055 0.000 1.036 834 K CA 0.340 56.679 56.287 0.086 0.000 0.984 834 K CB -0.000 32.535 32.500 0.058 0.000 0.788 834 K HN 0.332 nan 8.250 nan 0.000 0.488 835 R N -0.095 120.433 120.500 0.046 0.000 2.299 835 R HA 0.072 4.413 4.340 0.002 0.000 0.197 835 R C 0.150 176.208 176.300 -0.404 0.000 0.971 835 R CA 0.538 56.532 56.100 -0.177 0.000 1.030 835 R CB -0.020 30.115 30.300 -0.275 0.000 0.932 835 R HN 0.162 nan 8.270 nan 0.000 0.477 836 Y N 0.295 120.581 120.300 -0.023 0.000 2.602 836 Y HA 0.127 4.678 4.550 0.002 0.000 0.330 836 Y C 0.530 176.413 175.900 -0.029 0.000 1.114 836 Y CA -1.817 56.250 58.100 -0.055 0.000 1.182 836 Y CB 0.741 39.148 38.460 -0.089 0.000 1.305 836 Y HN 0.043 nan 8.280 nan 0.000 0.502 837 D N -0.087 120.393 120.400 0.133 0.000 2.362 837 D HA 0.231 4.873 4.640 0.002 0.000 0.238 837 D C 0.947 177.293 176.300 0.076 0.000 1.212 837 D CA 0.200 54.244 54.000 0.073 0.000 0.902 837 D CB 0.884 41.718 40.800 0.057 0.000 1.180 837 D HN 0.639 nan 8.370 nan 0.000 0.445 838 A N 1.102 123.951 122.820 0.050 0.000 1.917 838 A HA -0.290 4.031 4.320 0.002 0.000 0.219 838 A C 2.031 179.639 177.584 0.041 0.000 1.182 838 A CA 2.097 54.158 52.037 0.040 0.000 0.633 838 A CB -0.912 18.106 19.000 0.030 0.000 0.819 838 A HN 0.739 nan 8.150 nan 0.000 0.448 839 K N -0.597 119.831 120.400 0.045 0.000 2.026 839 K HA -0.154 4.167 4.320 0.002 0.000 0.208 839 K C 2.327 178.963 176.600 0.060 0.000 1.048 839 K CA 1.432 57.747 56.287 0.047 0.000 0.929 839 K CB -0.201 32.327 32.500 0.047 0.000 0.713 839 K HN 0.443 nan 8.250 nan 0.000 0.439 840 R N 0.346 120.895 120.500 0.082 0.000 2.081 840 R HA -0.158 4.183 4.340 0.002 0.000 0.235 840 R C 2.552 178.845 176.300 -0.012 0.000 1.131 840 R CA 1.759 57.917 56.100 0.096 0.000 0.960 840 R CB -0.257 30.124 30.300 0.136 0.000 0.856 840 R HN 0.412 nan 8.270 nan 0.000 0.436 841 Q N 0.360 120.171 119.800 0.019 0.000 2.170 841 Q HA -0.177 4.165 4.340 0.002 0.000 0.203 841 Q C 1.582 177.560 176.000 -0.038 0.000 0.976 841 Q CA 1.257 57.056 55.803 -0.006 0.000 0.858 841 Q CB 0.252 29.014 28.738 0.039 0.000 0.907 841 Q HN 0.196 nan 8.270 nan 0.000 0.433 842 E N 0.542 120.733 120.200 -0.016 0.000 2.072 842 E HA -0.125 4.226 4.350 0.002 0.000 0.190 842 E C 1.762 178.342 176.600 -0.034 0.000 0.982 842 E CA 0.997 57.388 56.400 -0.015 0.000 0.803 842 E CB 0.037 29.741 29.700 0.006 0.000 0.755 842 E HN 0.344 nan 8.360 nan 0.000 0.453 843 K N 0.024 120.402 120.400 -0.037 0.000 2.097 843 K HA 0.007 4.329 4.320 0.002 0.000 0.205 843 K C 2.280 178.762 176.600 -0.197 0.000 1.050 843 K CA 1.060 57.328 56.287 -0.033 0.000 0.938 843 K CB -0.136 32.438 32.500 0.124 0.000 0.718 843 K HN 0.109 nan 8.250 nan 0.000 0.442 844 M N 0.110 119.461 119.600 -0.416 0.000 2.132 844 M HA -0.143 4.338 4.480 0.002 0.000 0.263 844 M C 2.372 178.549 176.300 -0.205 0.000 1.065 844 M CA 1.428 56.427 55.300 -0.501 0.000 1.122 844 M CB -0.220 32.062 32.600 -0.531 0.000 1.365 844 M HN 0.068 nan 8.290 nan 0.000 0.411 845 R N 0.558 120.983 120.500 -0.125 0.000 2.073 845 R HA -0.131 4.211 4.340 0.002 0.000 0.234 845 R C 2.231 178.506 176.300 -0.042 0.000 1.134 845 R CA 1.695 57.759 56.100 -0.060 0.000 0.952 845 R CB -0.302 29.978 30.300 -0.035 0.000 0.850 845 R HN 0.370 nan 8.270 nan 0.000 0.433 846 A N 0.625 123.422 122.820 -0.039 0.000 1.908 846 A HA -0.164 4.157 4.320 0.002 0.000 0.218 846 A C 2.347 179.927 177.584 -0.008 0.000 1.181 846 A CA 1.843 53.872 52.037 -0.013 0.000 0.627 846 A CB -0.887 18.113 19.000 -0.000 0.000 0.818 846 A HN 0.543 nan 8.150 nan 0.000 0.445 847 A N -0.311 122.496 122.820 -0.022 0.000 1.877 847 A HA -0.073 4.248 4.320 0.002 0.000 0.216 847 A C 2.190 179.774 177.584 0.000 0.000 1.186 847 A CA 1.579 53.617 52.037 0.001 0.000 0.620 847 A CB -0.658 18.342 19.000 -0.001 0.000 0.822 847 A HN 0.480 nan 8.150 nan 0.000 0.443 848 L N -0.874 120.338 121.223 -0.018 0.000 2.046 848 L HA -0.219 4.122 4.340 0.002 0.000 0.208 848 L C 2.596 179.465 176.870 -0.001 0.000 1.077 848 L CA 1.732 56.566 54.840 -0.010 0.000 0.747 848 L CB -0.555 41.491 42.059 -0.021 0.000 0.896 848 L HN 0.465 nan 8.230 nan 0.000 0.432 849 E N -0.499 119.701 120.200 -0.001 0.000 2.110 849 E HA -0.289 4.062 4.350 0.002 0.000 0.193 849 E C 2.158 178.768 176.600 0.017 0.000 0.988 849 E CA 1.053 57.458 56.400 0.008 0.000 0.804 849 E CB -0.023 29.682 29.700 0.007 0.000 0.745 849 E HN 0.444 nan 8.360 nan 0.000 0.458 850 Q N 0.677 120.486 119.800 0.016 0.000 2.050 850 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 850 Q C 2.167 178.181 176.000 0.023 0.000 0.980 850 Q CA 1.205 57.020 55.803 0.021 0.000 0.840 850 Q CB -0.010 28.741 28.738 0.022 0.000 0.898 850 Q HN 0.281 nan 8.270 nan 0.000 0.424 851 L N 0.562 121.799 121.223 0.022 0.000 2.083 851 L HA -0.181 4.160 4.340 0.002 0.000 0.209 851 L C 2.650 179.542 176.870 0.037 0.000 1.083 851 L CA 1.337 56.192 54.840 0.025 0.000 0.752 851 L CB -0.480 41.591 42.059 0.021 0.000 0.899 851 L HN 0.219 nan 8.230 nan 0.000 0.433 852 K N 0.466 120.888 120.400 0.036 0.000 2.152 852 K HA -0.159 4.162 4.320 0.002 0.000 0.206 852 K C 1.764 178.404 176.600 0.067 0.000 1.048 852 K CA 1.397 57.718 56.287 0.057 0.000 0.933 852 K CB -0.201 32.323 32.500 0.041 0.000 0.721 852 K HN 0.381 nan 8.250 nan 0.000 0.447 853 G N 0.741 109.569 108.800 0.047 0.000 2.985 853 G HA2 0.087 4.048 3.960 0.002 0.000 0.209 853 G HA3 0.087 4.048 3.960 0.002 0.000 0.209 853 G C 0.318 175.240 174.900 0.038 0.000 1.165 853 G CA -0.381 44.744 45.100 0.043 0.000 0.776 853 G HN 0.091 nan 8.290 nan 0.000 0.541 854 L N 1.444 122.690 121.223 0.038 0.000 2.525 854 L HA 0.089 4.430 4.340 0.002 0.000 0.278 854 L C 0.378 177.266 176.870 0.029 0.000 1.218 854 L CA -0.358 54.500 54.840 0.030 0.000 0.878 854 L CB 0.583 42.660 42.059 0.029 0.000 1.127 854 L HN 0.108 nan 8.230 nan 0.000 0.492 855 E N 3.098 123.311 120.200 0.022 0.000 2.414 855 E HA -0.043 4.308 4.350 0.002 0.000 0.263 855 E C 0.170 176.780 176.600 0.016 0.000 1.000 855 E CA 0.180 56.591 56.400 0.018 0.000 0.914 855 E CB 0.217 29.925 29.700 0.014 0.000 0.948 855 E HN 0.545 nan 8.360 nan 0.000 0.444 856 N N 0.476 119.184 118.700 0.013 0.000 2.725 856 N HA -0.258 4.483 4.740 0.002 0.000 0.251 856 N C -0.318 175.201 175.510 0.015 0.000 1.031 856 N CA -0.082 52.974 53.050 0.010 0.000 0.720 856 N CB -1.175 37.316 38.487 0.008 0.000 0.930 856 N HN 0.281 nan 8.380 nan 0.000 0.543 857 L N 1.231 122.469 121.223 0.025 0.000 2.559 857 L HA 0.116 4.457 4.340 0.002 0.000 0.274 857 L C 0.732 177.626 176.870 0.041 0.000 1.205 857 L CA 0.096 54.963 54.840 0.046 0.000 0.907 857 L CB 0.470 42.580 42.059 0.084 0.000 1.153 857 L HN 0.317 nan 8.230 nan 0.000 0.490 858 S N 2.950 118.675 115.700 0.042 0.000 2.572 858 S HA 0.274 4.745 4.470 0.002 0.000 0.279 858 S C 1.411 176.055 174.600 0.073 0.000 1.341 858 S CA -0.264 57.958 58.200 0.037 0.000 1.043 858 S CB 1.047 64.260 63.200 0.022 0.000 0.887 858 S HN 0.914 nan 8.310 nan 0.000 0.516 859 G N 1.661 110.494 108.800 0.055 0.000 2.469 859 G HA2 -0.242 3.720 3.960 0.002 0.000 0.220 859 G HA3 -0.242 3.720 3.960 0.002 0.000 0.220 859 G C 0.733 175.713 174.900 0.135 0.000 1.136 859 G CA 1.155 46.312 45.100 0.095 0.000 0.759 859 G HN 0.809 nan 8.290 nan 0.000 0.562 860 D N 0.468 120.912 120.400 0.074 0.000 2.092 860 D HA -0.111 4.531 4.640 0.002 0.000 0.193 860 D C 2.517 178.847 176.300 0.050 0.000 0.994 860 D CA 0.777 54.805 54.000 0.046 0.000 0.828 860 D CB -0.309 40.492 40.800 0.003 0.000 0.963 860 D HN 0.313 nan 8.370 nan 0.000 0.450 861 L N -0.674 120.584 121.223 0.058 0.000 2.109 861 L HA -0.122 4.220 4.340 0.002 0.000 0.207 861 L C 2.313 179.229 176.870 0.077 0.000 1.086 861 L CA 0.763 55.632 54.840 0.049 0.000 0.760 861 L CB -0.477 41.607 42.059 0.042 0.000 0.910 861 L HN 0.125 nan 8.230 nan 0.000 0.437 862 Y N 1.415 121.721 120.300 0.011 0.000 2.114 862 Y HA -0.362 4.189 4.550 0.002 0.000 0.282 862 Y C 2.634 178.550 175.900 0.028 0.000 1.165 862 Y CA 2.248 60.360 58.100 0.021 0.000 1.148 862 Y CB -0.179 38.296 38.460 0.026 0.000 0.972 862 Y HN 0.228 nan 8.280 nan 0.000 0.504 863 E N 0.098 120.343 120.200 0.076 0.000 2.058 863 E HA -0.245 4.106 4.350 0.002 0.000 0.194 863 E C 2.110 178.663 176.600 -0.080 0.000 0.997 863 E CA 1.846 58.247 56.400 0.001 0.000 0.801 863 E CB -0.113 29.654 29.700 0.111 0.000 0.746 863 E HN 0.511 nan 8.360 nan 0.000 0.450 864 K N 0.056 120.422 120.400 -0.056 0.000 2.057 864 K HA -0.091 4.230 4.320 0.002 0.000 0.206 864 K C 2.291 178.849 176.600 -0.071 0.000 1.050 864 K CA 1.322 57.574 56.287 -0.058 0.000 0.935 864 K CB -0.137 32.336 32.500 -0.046 0.000 0.715 864 K HN 0.241 nan 8.250 nan 0.000 0.439 865 I N 1.501 122.016 120.570 -0.090 0.000 2.179 865 I HA -0.293 3.879 4.170 0.002 0.000 0.242 865 I C 2.706 178.743 176.117 -0.133 0.000 1.088 865 I CA 1.735 62.981 61.300 -0.090 0.000 1.357 865 I CB -0.754 37.204 38.000 -0.070 0.000 1.051 865 I HN 0.337 nan 8.210 nan 0.000 0.409 866 T N -1.136 113.264 114.554 -0.257 0.000 2.746 866 T HA -0.178 4.173 4.350 0.002 0.000 0.267 866 T C 1.852 176.478 174.700 -0.123 0.000 1.039 866 T CA 1.037 62.983 62.100 -0.257 0.000 1.142 866 T CB -0.359 68.218 68.868 -0.485 0.000 0.866 866 T HN 0.281 nan 8.240 nan 0.000 0.444 867 K N 1.502 121.846 120.400 -0.094 0.000 2.057 867 K HA 0.100 4.421 4.320 0.002 0.000 0.207 867 K C 2.830 179.423 176.600 -0.011 0.000 1.049 867 K CA 1.262 57.534 56.287 -0.025 0.000 0.931 867 K CB -0.507 31.993 32.500 0.001 0.000 0.714 867 K HN 0.461 nan 8.250 nan 0.000 0.440 868 A N 1.156 123.964 122.820 -0.020 0.000 1.933 868 A HA -0.098 4.223 4.320 0.002 0.000 0.218 868 A C 1.975 179.556 177.584 -0.004 0.000 1.175 868 A CA 1.220 53.255 52.037 -0.002 0.000 0.628 868 A CB -0.414 18.583 19.000 -0.004 0.000 0.814 868 A HN 0.178 nan 8.150 nan 0.000 0.444 869 L N -0.899 120.313 121.223 -0.019 0.000 2.509 869 L HA 0.171 4.512 4.340 0.002 0.000 0.222 869 L C 1.674 178.542 176.870 -0.004 0.000 1.123 869 L CA -0.020 54.812 54.840 -0.014 0.000 0.856 869 L CB -0.482 41.563 42.059 -0.023 0.000 0.985 869 L HN 0.425 nan 8.230 nan 0.000 0.456 870 A N 0.000 122.819 122.820 -0.002 0.000 2.254 870 A HA 0.000 4.321 4.320 0.002 0.000 0.244 870 A CA 0.000 52.043 52.037 0.009 0.000 0.836 870 A CB 0.000 19.009 19.000 0.015 0.000 0.831 870 A HN 0.000 nan 8.150 nan 0.000 0.486