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 1b4d_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNXX XXXXXXXXGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKXXXXXXX XXNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.123 176.117 0.011 0.000 1.063 13 I CA 0.000 61.304 61.300 0.006 0.000 1.566 13 I CB 0.000 38.006 38.000 0.009 0.000 1.214 14 S N 3.665 119.376 115.700 0.019 0.000 2.419 14 S HA -0.131 4.335 4.470 -0.006 0.000 0.233 14 S C 1.762 176.379 174.600 0.028 0.000 1.016 14 S CA 1.261 59.474 58.200 0.021 0.000 0.974 14 S CB -0.369 62.846 63.200 0.026 0.000 0.786 14 S HN 0.810 nan 8.310 nan 0.000 0.492 15 V N -0.692 119.247 119.914 0.041 0.000 3.141 15 V HA 0.182 4.298 4.120 -0.006 0.000 0.265 15 V C 2.087 178.206 176.094 0.040 0.000 1.126 15 V CA 1.099 63.428 62.300 0.049 0.000 1.141 15 V CB -1.083 30.777 31.823 0.062 0.000 0.743 15 V HN 0.367 nan 8.190 nan 0.000 0.492 16 R N 1.053 121.567 120.500 0.023 0.000 2.313 16 R HA 0.427 4.763 4.340 -0.006 0.000 0.199 16 R C 1.195 177.493 176.300 -0.003 0.000 0.958 16 R CA 0.591 56.698 56.100 0.011 0.000 1.047 16 R CB -0.032 30.270 30.300 0.002 0.000 0.955 16 R HN 0.793 nan 8.270 nan 0.000 0.481 17 G N 0.561 109.359 108.800 -0.003 0.000 2.627 17 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.214 17 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.214 17 G C -0.703 174.187 174.900 -0.016 0.000 1.331 17 G CA -0.951 44.139 45.100 -0.017 0.000 0.891 17 G HN 0.079 nan 8.290 nan 0.000 0.539 18 L N 0.099 121.310 121.223 -0.020 0.000 2.360 18 L HA 0.715 5.051 4.340 -0.006 0.000 0.271 18 L C 0.934 177.795 176.870 -0.015 0.000 1.057 18 L CA -0.348 54.483 54.840 -0.015 0.000 0.803 18 L CB 1.955 44.006 42.059 -0.013 0.000 1.207 18 L HN 1.260 nan 8.230 nan 0.000 0.445 19 A N 1.659 124.473 122.820 -0.010 0.000 3.047 19 A HA 0.576 4.893 4.320 -0.006 0.000 0.337 19 A C 0.388 177.972 177.584 0.001 0.000 1.143 19 A CA -0.435 51.599 52.037 -0.006 0.000 0.905 19 A CB -0.190 18.807 19.000 -0.006 0.000 1.088 19 A HN 0.772 nan 8.150 nan 0.000 0.488 20 G N 0.013 108.814 108.800 0.002 0.000 2.491 20 G HA2 0.352 4.309 3.960 -0.006 0.000 0.238 20 G HA3 0.352 4.309 3.960 -0.006 0.000 0.238 20 G C 1.206 176.114 174.900 0.013 0.000 1.277 20 G CA 0.179 45.284 45.100 0.008 0.000 0.851 20 G HN 1.291 nan 8.290 nan 0.000 0.573 21 V N 0.432 120.354 119.914 0.013 0.000 2.343 21 V HA -0.128 3.989 4.120 -0.006 0.000 0.247 21 V C 2.148 178.254 176.094 0.021 0.000 1.051 21 V CA 2.350 64.659 62.300 0.016 0.000 1.036 21 V CB -0.857 30.974 31.823 0.014 0.000 0.654 21 V HN 0.724 nan 8.190 nan 0.000 0.451 22 E N 0.794 121.007 120.200 0.022 0.000 2.072 22 E HA -0.170 4.176 4.350 -0.006 0.000 0.191 22 E C 2.262 178.885 176.600 0.039 0.000 0.985 22 E CA 1.372 57.788 56.400 0.028 0.000 0.801 22 E CB -0.295 29.420 29.700 0.025 0.000 0.750 22 E HN 0.649 nan 8.360 nan 0.000 0.452 23 N N 0.214 118.938 118.700 0.040 0.000 2.069 23 N HA -0.155 4.581 4.740 -0.006 0.000 0.191 23 N C 1.703 177.246 175.510 0.055 0.000 1.031 23 N CA 1.149 54.233 53.050 0.056 0.000 0.852 23 N CB -0.270 38.240 38.487 0.037 0.000 1.018 23 N HN -0.010 nan 8.380 nan 0.000 0.423 24 V N 0.285 120.221 119.914 0.036 0.000 2.343 24 V HA -0.226 3.890 4.120 -0.006 0.000 0.247 24 V C 2.235 178.351 176.094 0.037 0.000 1.051 24 V CA 2.077 64.396 62.300 0.031 0.000 1.036 24 V CB -1.030 30.806 31.823 0.022 0.000 0.654 24 V HN 0.405 nan 8.190 nan 0.000 0.451 25 T N -0.451 114.125 114.554 0.036 0.000 2.652 25 T HA -0.249 4.097 4.350 -0.006 0.000 0.267 25 T C 1.934 176.667 174.700 0.055 0.000 1.039 25 T CA 1.938 64.059 62.100 0.036 0.000 1.153 25 T CB -0.254 68.631 68.868 0.030 0.000 0.863 25 T HN 0.520 nan 8.240 nan 0.000 0.428 26 E N 1.089 121.328 120.200 0.066 0.000 2.058 26 E HA -0.084 4.262 4.350 -0.006 0.000 0.194 26 E C 2.072 178.745 176.600 0.123 0.000 0.997 26 E CA 1.158 57.609 56.400 0.085 0.000 0.801 26 E CB -0.661 29.093 29.700 0.089 0.000 0.746 26 E HN 0.466 nan 8.360 nan 0.000 0.450 27 L N 0.128 121.433 121.223 0.135 0.000 2.012 27 L HA -0.226 4.110 4.340 -0.006 0.000 0.210 27 L C 2.545 179.520 176.870 0.175 0.000 1.073 27 L CA 1.842 56.785 54.840 0.172 0.000 0.748 27 L CB -0.387 41.747 42.059 0.125 0.000 0.891 27 L HN 0.097 nan 8.230 nan 0.000 0.431 28 K N -0.261 120.201 120.400 0.104 0.000 2.097 28 K HA -0.211 4.105 4.320 -0.006 0.000 0.206 28 K C 2.186 178.885 176.600 0.165 0.000 1.049 28 K CA 1.168 57.508 56.287 0.087 0.000 0.933 28 K CB -0.097 32.410 32.500 0.012 0.000 0.717 28 K HN 0.164 nan 8.250 nan 0.000 0.442 29 K N 0.933 121.411 120.400 0.131 0.000 2.002 29 K HA -0.131 4.186 4.320 -0.006 0.000 0.209 29 K C 1.713 178.408 176.600 0.159 0.000 1.048 29 K CA 1.345 57.704 56.287 0.121 0.000 0.930 29 K CB 0.002 32.550 32.500 0.081 0.000 0.714 29 K HN 0.140 nan 8.250 nan 0.000 0.438 30 N N 0.136 118.945 118.700 0.182 0.000 2.309 30 N HA -0.147 4.590 4.740 -0.006 0.000 0.182 30 N C 1.653 177.357 175.510 0.323 0.000 1.018 30 N CA 0.765 53.938 53.050 0.205 0.000 0.876 30 N CB -0.153 38.469 38.487 0.226 0.000 0.972 30 N HN 0.170 nan 8.380 nan 0.000 0.434 31 F N 2.499 122.560 119.950 0.184 0.000 2.113 31 F HA -0.060 4.464 4.527 -0.006 0.000 0.297 31 F C 2.027 177.943 175.800 0.193 0.000 1.103 31 F CA 1.230 59.346 58.000 0.193 0.000 1.248 31 F CB -0.223 38.853 39.000 0.126 0.000 0.999 31 F HN -0.065 nan 8.300 nan 0.000 0.475 32 N N 0.546 119.494 118.700 0.414 0.000 2.188 32 N HA -0.181 4.555 4.740 -0.006 0.000 0.184 32 N C 2.043 177.656 175.510 0.171 0.000 1.018 32 N CA 1.190 54.403 53.050 0.273 0.000 0.858 32 N CB -0.552 38.067 38.487 0.220 0.000 0.989 32 N HN 0.368 nan 8.380 nan 0.000 0.426 33 R N 0.213 120.813 120.500 0.166 0.000 2.073 33 R HA -0.109 4.227 4.340 -0.006 0.000 0.234 33 R C 1.814 178.214 176.300 0.167 0.000 1.134 33 R CA 1.534 57.745 56.100 0.186 0.000 0.952 33 R CB -0.279 30.067 30.300 0.078 0.000 0.850 33 R HN 0.364 nan 8.270 nan 0.000 0.433 34 H N -0.372 118.762 119.070 0.106 0.000 2.387 34 H HA -0.125 4.428 4.556 -0.006 0.000 0.299 34 H C 1.851 177.156 175.328 -0.040 0.000 1.090 34 H CA 1.508 57.565 56.048 0.015 0.000 1.332 34 H CB 0.078 29.821 29.762 -0.032 0.000 1.386 34 H HN 0.139 nan 8.280 nan 0.000 0.516 35 L N -0.163 121.089 121.223 0.047 0.000 2.083 35 L HA -0.172 4.164 4.340 -0.006 0.000 0.209 35 L C 2.143 179.018 176.870 0.007 0.000 1.083 35 L CA 1.815 56.647 54.840 -0.014 0.000 0.752 35 L CB -0.426 41.630 42.059 -0.006 0.000 0.899 35 L HN 0.300 nan 8.230 nan 0.000 0.433 36 H N -1.616 117.398 119.070 -0.093 0.000 2.266 36 H HA -0.059 4.493 4.556 -0.006 0.000 0.308 36 H C 1.839 176.976 175.328 -0.318 0.000 1.057 36 H CA 2.265 58.160 56.048 -0.256 0.000 1.330 36 H CB -0.364 29.157 29.762 -0.403 0.000 1.400 36 H HN 0.261 nan 8.280 nan 0.000 0.503 37 F N -0.206 119.748 119.950 0.007 0.000 2.206 37 F HA -0.077 4.447 4.527 -0.006 0.000 0.298 37 F C 2.610 178.339 175.800 -0.119 0.000 1.090 37 F CA 1.518 59.467 58.000 -0.086 0.000 1.323 37 F CB -0.447 38.528 39.000 -0.042 0.000 1.028 37 F HN 0.210 nan 8.300 nan 0.000 0.492 38 T N -0.118 114.472 114.554 0.061 0.000 2.901 38 T HA 0.077 4.423 4.350 -0.006 0.000 0.252 38 T C 1.991 176.621 174.700 -0.118 0.000 1.035 38 T CA 0.791 62.858 62.100 -0.054 0.000 1.142 38 T CB -0.270 68.535 68.868 -0.104 0.000 0.869 38 T HN 0.110 nan 8.240 nan 0.000 0.442 39 L N 1.239 122.402 121.223 -0.101 0.000 2.446 39 L HA 0.190 4.526 4.340 -0.006 0.000 0.219 39 L C 0.458 177.249 176.870 -0.132 0.000 1.116 39 L CA -0.038 54.732 54.840 -0.117 0.000 0.844 39 L CB -0.270 41.735 42.059 -0.089 0.000 0.970 39 L HN -0.004 nan 8.230 nan 0.000 0.457 40 V N 0.829 120.643 119.914 -0.167 0.000 5.949 40 V HA -0.268 3.849 4.120 -0.006 0.000 0.287 40 V C -0.039 175.953 176.094 -0.170 0.000 0.603 40 V CA 1.146 63.313 62.300 -0.222 0.000 0.608 40 V CB -2.110 29.604 31.823 -0.183 0.000 0.259 40 V HN 0.415 nan 8.190 nan 0.000 0.742 41 K N 1.515 121.828 120.400 -0.145 0.000 2.444 41 K HA 0.683 4.999 4.320 -0.006 0.000 0.252 41 K C -0.505 176.067 176.600 -0.047 0.000 0.993 41 K CA -0.557 55.674 56.287 -0.093 0.000 0.847 41 K CB 2.766 35.212 32.500 -0.090 0.000 1.340 41 K HN 0.623 nan 8.250 nan 0.000 0.446 42 D N 0.226 120.616 120.400 -0.017 0.000 2.575 42 D HA 0.278 4.914 4.640 -0.006 0.000 0.236 42 D C 0.484 176.814 176.300 0.050 0.000 1.075 42 D CA -0.550 53.470 54.000 0.034 0.000 0.860 42 D CB 1.567 42.383 40.800 0.027 0.000 1.475 42 D HN 0.167 nan 8.370 nan 0.000 0.474 43 R N 1.094 121.657 120.500 0.103 0.000 2.185 43 R HA -0.143 4.194 4.340 -0.006 0.000 0.247 43 R C 1.197 177.569 176.300 0.121 0.000 1.159 43 R CA 1.070 57.267 56.100 0.162 0.000 0.988 43 R CB -0.608 29.796 30.300 0.173 0.000 0.871 43 R HN 0.579 nan 8.270 nan 0.000 0.458 44 N N 0.405 119.147 118.700 0.070 0.000 2.309 44 N HA -0.095 4.641 4.740 -0.006 0.000 0.182 44 N C 1.663 177.194 175.510 0.034 0.000 1.018 44 N CA 1.490 54.572 53.050 0.052 0.000 0.876 44 N CB 0.135 38.642 38.487 0.034 0.000 0.972 44 N HN 0.284 nan 8.380 nan 0.000 0.434 45 V N -3.112 116.809 119.914 0.011 0.000 3.477 45 V HA 0.527 4.643 4.120 -0.006 0.000 0.297 45 V C 0.738 176.797 176.094 -0.059 0.000 1.433 45 V CA -0.554 61.738 62.300 -0.014 0.000 1.052 45 V CB -0.307 31.504 31.823 -0.020 0.000 0.895 45 V HN 0.049 nan 8.190 nan 0.000 0.438 46 A N 2.404 125.167 122.820 -0.095 0.000 2.488 46 A HA 0.540 4.856 4.320 -0.006 0.000 0.249 46 A C 0.807 178.165 177.584 -0.375 0.000 1.083 46 A CA 0.839 52.699 52.037 -0.295 0.000 0.768 46 A CB -0.271 18.459 19.000 -0.451 0.000 1.017 46 A HN 0.851 nan 8.150 nan 0.000 0.496 47 T N 0.595 114.945 114.554 -0.340 0.000 2.912 47 T HA 0.535 4.881 4.350 -0.006 0.000 0.280 47 T C -2.031 172.542 174.700 -0.211 0.000 0.989 47 T CA -1.709 60.277 62.100 -0.190 0.000 0.995 47 T CB 1.084 69.903 68.868 -0.081 0.000 1.077 47 T HN 0.266 nan 8.240 nan 0.000 0.531 48 P HA -0.066 nan 4.420 nan 0.000 0.218 48 P C 1.627 179.032 177.300 0.176 0.000 1.148 48 P CA 0.866 64.092 63.100 0.211 0.000 0.822 48 P CB 0.042 31.842 31.700 0.168 0.000 0.784 49 R N 0.060 120.610 120.500 0.083 0.000 2.081 49 R HA -0.150 4.186 4.340 -0.006 0.000 0.235 49 R C 1.619 178.072 176.300 0.256 0.000 1.131 49 R CA 1.812 57.999 56.100 0.145 0.000 0.960 49 R CB -0.682 29.630 30.300 0.020 0.000 0.856 49 R HN 0.079 nan 8.270 nan 0.000 0.436 50 D N -0.336 120.097 120.400 0.056 0.000 2.123 50 D HA -0.190 4.447 4.640 -0.006 0.000 0.196 50 D C 1.754 178.081 176.300 0.045 0.000 0.992 50 D CA 1.322 55.319 54.000 -0.005 0.000 0.833 50 D CB -0.342 40.315 40.800 -0.239 0.000 0.954 50 D HN 0.305 nan 8.370 nan 0.000 0.455 51 Y N -0.099 120.295 120.300 0.156 0.000 2.242 51 Y HA -0.179 4.367 4.550 -0.006 0.000 0.291 51 Y C 2.295 178.302 175.900 0.178 0.000 1.137 51 Y CA 0.224 58.446 58.100 0.203 0.000 1.181 51 Y CB -1.154 37.528 38.460 0.369 0.000 0.989 51 Y HN 0.095 nan 8.280 nan 0.000 0.527 52 Y N -0.506 119.935 120.300 0.235 0.000 2.128 52 Y HA -0.279 4.267 4.550 -0.007 0.000 0.284 52 Y C 1.954 177.811 175.900 -0.072 0.000 1.154 52 Y CA 1.243 59.380 58.100 0.061 0.000 1.149 52 Y CB -1.124 37.282 38.460 -0.090 0.000 0.976 52 Y HN 0.021 nan 8.280 nan 0.000 0.505 53 F N 0.375 120.092 119.950 -0.389 0.000 2.171 53 F HA -0.118 4.406 4.527 -0.006 0.000 0.300 53 F C 2.658 178.232 175.800 -0.378 0.000 1.090 53 F CA 1.503 59.184 58.000 -0.532 0.000 1.293 53 F CB -1.039 37.863 39.000 -0.164 0.000 1.013 53 F HN 0.207 nan 8.300 nan 0.000 0.486 54 A N -0.292 122.449 122.820 -0.131 0.000 1.902 54 A HA -0.178 4.138 4.320 -0.006 0.000 0.217 54 A C 2.099 179.515 177.584 -0.280 0.000 1.181 54 A CA 1.657 53.497 52.037 -0.327 0.000 0.623 54 A CB -1.047 17.399 19.000 -0.923 0.000 0.818 54 A HN 0.351 nan 8.150 nan 0.000 0.443 55 L N -0.305 120.852 121.223 -0.109 0.000 2.027 55 L HA 0.016 4.352 4.340 -0.006 0.000 0.206 55 L C 2.658 179.474 176.870 -0.090 0.000 1.074 55 L CA 2.169 57.090 54.840 0.135 0.000 0.745 55 L CB -0.902 41.320 42.059 0.271 0.000 0.898 55 L HN 0.325 nan 8.230 nan 0.000 0.433 56 A N -1.211 121.361 122.820 -0.412 0.000 1.908 56 A HA -0.285 4.031 4.320 -0.006 0.000 0.218 56 A C 2.138 179.335 177.584 -0.645 0.000 1.181 56 A CA 2.068 53.761 52.037 -0.573 0.000 0.627 56 A CB -1.120 17.199 19.000 -1.134 0.000 0.818 56 A HN 0.705 nan 8.150 nan 0.000 0.445 57 H N -1.131 117.611 119.070 -0.547 0.000 2.389 57 H HA -0.055 4.497 4.556 -0.006 0.000 0.299 57 H C 2.362 177.374 175.328 -0.528 0.000 1.081 57 H CA 1.816 57.465 56.048 -0.665 0.000 1.345 57 H CB -0.071 29.083 29.762 -1.014 0.000 1.393 57 H HN 0.453 nan 8.280 nan 0.000 0.520 58 T N -0.178 114.257 114.554 -0.199 0.000 2.746 58 T HA -0.141 4.205 4.350 -0.006 0.000 0.267 58 T C 2.240 177.084 174.700 0.240 0.000 1.039 58 T CA 1.319 63.507 62.100 0.146 0.000 1.142 58 T CB -0.353 68.676 68.868 0.268 0.000 0.866 58 T HN 0.091 nan 8.240 nan 0.000 0.444 59 V N 1.700 121.720 119.914 0.178 0.000 2.427 59 V HA -0.126 3.990 4.120 -0.006 0.000 0.248 59 V C 2.619 178.898 176.094 0.308 0.000 1.051 59 V CA 1.642 64.094 62.300 0.253 0.000 1.048 59 V CB -0.636 31.337 31.823 0.251 0.000 0.666 59 V HN 0.405 nan 8.190 nan 0.000 0.456 60 R N 0.334 120.962 120.500 0.214 0.000 2.105 60 R HA -0.221 4.115 4.340 -0.006 0.000 0.239 60 R C 1.887 178.310 176.300 0.205 0.000 1.135 60 R CA 2.115 58.351 56.100 0.226 0.000 0.967 60 R CB -0.489 29.805 30.300 -0.010 0.000 0.861 60 R HN 0.453 nan 8.270 nan 0.000 0.442 61 D N 0.145 120.652 120.400 0.179 0.000 2.158 61 D HA -0.180 4.456 4.640 -0.006 0.000 0.197 61 D C 1.696 178.039 176.300 0.072 0.000 0.995 61 D CA 1.166 55.243 54.000 0.129 0.000 0.846 61 D CB -0.412 40.451 40.800 0.106 0.000 0.941 61 D HN 0.492 nan 8.370 nan 0.000 0.456 62 H N -0.368 118.771 119.070 0.115 0.000 2.521 62 H HA 0.042 4.594 4.556 -0.006 0.000 0.286 62 H C 2.109 177.484 175.328 0.078 0.000 1.034 62 H CA 0.391 56.491 56.048 0.086 0.000 1.278 62 H CB 0.356 30.160 29.762 0.069 0.000 1.386 62 H HN 0.199 nan 8.280 nan 0.000 0.567 63 L N -0.238 121.102 121.223 0.196 0.000 2.307 63 L HA -0.066 4.270 4.340 -0.006 0.000 0.211 63 L C 2.444 179.432 176.870 0.196 0.000 1.099 63 L CA 0.048 54.967 54.840 0.131 0.000 0.816 63 L CB 0.089 42.182 42.059 0.058 0.000 0.952 63 L HN 0.009 nan 8.230 nan 0.000 0.455 64 V N 0.310 120.362 119.914 0.230 0.000 2.255 64 V HA -0.264 3.852 4.120 -0.006 0.000 0.247 64 V C 2.638 178.855 176.094 0.205 0.000 1.051 64 V CA 2.226 64.694 62.300 0.281 0.000 1.018 64 V CB -1.426 30.518 31.823 0.202 0.000 0.641 64 V HN 0.562 nan 8.190 nan 0.000 0.445 65 G N -0.280 108.592 108.800 0.120 0.000 2.446 65 G HA2 -0.284 3.672 3.960 -0.006 0.000 0.217 65 G HA3 -0.284 3.672 3.960 -0.006 0.000 0.217 65 G C 1.747 176.701 174.900 0.090 0.000 1.168 65 G CA 1.054 46.201 45.100 0.078 0.000 0.771 65 G HN 0.458 nan 8.290 nan 0.000 0.551 66 R N -1.445 119.117 120.500 0.103 0.000 2.096 66 R HA -0.073 4.263 4.340 -0.006 0.000 0.235 66 R C 2.254 178.648 176.300 0.157 0.000 1.127 66 R CA 1.198 57.349 56.100 0.085 0.000 0.968 66 R CB -0.383 29.951 30.300 0.058 0.000 0.861 66 R HN 0.487 nan 8.270 nan 0.000 0.440 67 W N 1.368 122.664 121.300 -0.007 0.000 2.355 67 W HA -0.092 4.565 4.660 -0.006 0.000 0.309 67 W C 1.701 178.212 176.519 -0.013 0.000 1.206 67 W CA 1.021 58.364 57.345 -0.004 0.000 1.284 67 W CB -0.594 28.882 29.460 0.027 0.000 1.145 67 W HN -0.016 nan 8.180 nan 0.000 0.502 68 I N -0.073 120.575 120.570 0.130 0.000 2.202 68 I HA -0.289 3.878 4.170 -0.006 0.000 0.242 68 I C 2.699 178.814 176.117 -0.004 0.000 1.091 68 I CA 1.423 62.712 61.300 -0.018 0.000 1.368 68 I CB -0.577 37.412 38.000 -0.019 0.000 1.058 68 I HN -0.164 nan 8.210 nan 0.000 0.410 69 R N -0.093 120.417 120.500 0.017 0.000 2.096 69 R HA -0.128 4.208 4.340 -0.006 0.000 0.235 69 R C 2.324 178.598 176.300 -0.043 0.000 1.127 69 R CA 1.913 58.010 56.100 -0.005 0.000 0.968 69 R CB -0.414 29.879 30.300 -0.011 0.000 0.861 69 R HN 0.346 nan 8.270 nan 0.000 0.440 70 T N 0.850 115.362 114.554 -0.071 0.000 2.674 70 T HA -0.142 4.204 4.350 -0.006 0.000 0.265 70 T C 1.744 176.192 174.700 -0.419 0.000 1.039 70 T CA 1.027 62.980 62.100 -0.245 0.000 1.150 70 T CB -0.120 68.650 68.868 -0.164 0.000 0.864 70 T HN 0.182 nan 8.240 nan 0.000 0.427 71 Q N 0.779 120.482 119.800 -0.161 0.000 2.170 71 Q HA -0.101 4.235 4.340 -0.006 0.000 0.203 71 Q C 2.331 178.352 176.000 0.035 0.000 0.976 71 Q CA 1.313 57.102 55.803 -0.023 0.000 0.858 71 Q CB -0.510 28.256 28.738 0.048 0.000 0.907 71 Q HN 0.505 nan 8.270 nan 0.000 0.433 72 Q N 0.101 119.909 119.800 0.014 0.000 2.079 72 Q HA -0.180 4.156 4.340 -0.006 0.000 0.200 72 Q C 1.910 177.992 176.000 0.137 0.000 0.974 72 Q CA 1.946 57.800 55.803 0.084 0.000 0.840 72 Q CB -0.397 28.372 28.738 0.051 0.000 0.898 72 Q HN 0.569 nan 8.270 nan 0.000 0.430 73 H N -0.938 118.100 119.070 -0.054 0.000 2.352 73 H HA -0.165 4.387 4.556 -0.006 0.000 0.299 73 H C 1.090 176.465 175.328 0.078 0.000 1.097 73 H CA 2.165 58.188 56.048 -0.042 0.000 1.311 73 H CB -0.279 29.393 29.762 -0.150 0.000 1.377 73 H HN 0.348 nan 8.280 nan 0.000 0.504 74 Y N -0.945 119.363 120.300 0.014 0.000 2.242 74 Y HA -0.167 4.379 4.550 -0.007 0.000 0.291 74 Y C 2.444 178.351 175.900 0.011 0.000 1.137 74 Y CA 1.084 59.162 58.100 -0.037 0.000 1.181 74 Y CB -1.383 37.139 38.460 0.104 0.000 0.989 74 Y HN 0.373 nan 8.280 nan 0.000 0.527 75 Y N 0.904 121.278 120.300 0.124 0.000 2.200 75 Y HA -0.183 4.363 4.550 -0.006 0.000 0.290 75 Y C 2.221 178.125 175.900 0.007 0.000 1.137 75 Y CA 1.835 59.969 58.100 0.058 0.000 1.163 75 Y CB -0.324 38.160 38.460 0.039 0.000 0.988 75 Y HN 0.135 nan 8.280 nan 0.000 0.518 76 E N -0.030 120.139 120.200 -0.053 0.000 2.015 76 E HA -0.170 4.176 4.350 -0.006 0.000 0.191 76 E C 2.235 178.725 176.600 -0.183 0.000 0.991 76 E CA 1.266 57.576 56.400 -0.149 0.000 0.802 76 E CB -0.069 29.625 29.700 -0.011 0.000 0.759 76 E HN 0.118 nan 8.360 nan 0.000 0.447 77 K N 0.422 120.707 120.400 -0.191 0.000 2.097 77 K HA -0.127 4.189 4.320 -0.006 0.000 0.205 77 K C 0.096 176.618 176.600 -0.130 0.000 1.050 77 K CA 1.058 57.234 56.287 -0.185 0.000 0.938 77 K CB -0.143 32.156 32.500 -0.334 0.000 0.718 77 K HN 0.104 nan 8.250 nan 0.000 0.442 78 D N 0.021 120.356 120.400 -0.110 0.000 2.705 78 D HA -0.105 4.531 4.640 -0.006 0.000 0.240 78 D C -2.463 173.802 176.300 -0.059 0.000 1.137 78 D CA 0.157 54.109 54.000 -0.080 0.000 0.677 78 D CB -0.224 40.504 40.800 -0.119 0.000 1.049 78 D HN 0.192 nan 8.370 nan 0.000 0.427 79 P HA 0.115 nan 4.420 nan 0.000 0.276 79 P C -0.051 177.204 177.300 -0.074 0.000 1.261 79 P CA -0.586 62.474 63.100 -0.066 0.000 0.800 79 P CB 0.646 32.296 31.700 -0.084 0.000 1.066 80 K N 1.195 121.556 120.400 -0.066 0.000 2.436 80 K HA 0.033 4.349 4.320 -0.006 0.000 0.275 80 K C 0.027 176.547 176.600 -0.134 0.000 0.999 80 K CA -0.096 56.149 56.287 -0.069 0.000 0.980 80 K CB 0.323 32.797 32.500 -0.043 0.000 0.919 80 K HN 0.286 nan 8.250 nan 0.000 0.484 81 R N 4.252 124.670 120.500 -0.138 0.000 2.346 81 R HA 0.350 4.686 4.340 -0.006 0.000 0.311 81 R C -0.337 175.726 176.300 -0.395 0.000 0.983 81 R CA -0.852 55.098 56.100 -0.250 0.000 0.880 81 R CB 0.767 30.947 30.300 -0.200 0.000 1.100 81 R HN 0.535 nan 8.270 nan 0.000 0.453 82 I N 4.069 124.331 120.570 -0.512 0.000 2.312 82 I HA 0.237 4.404 4.170 -0.006 0.000 0.290 82 I C -0.340 175.480 176.117 -0.494 0.000 1.008 82 I CA -1.034 59.901 61.300 -0.608 0.000 1.226 82 I CB 0.194 37.668 38.000 -0.876 0.000 1.371 82 I HN 0.406 nan 8.210 nan 0.000 0.468 83 Y N 6.219 126.484 120.300 -0.059 0.000 2.417 83 Y HA 0.262 4.809 4.550 -0.006 0.000 0.336 83 Y C -0.233 175.779 175.900 0.187 0.000 0.961 83 Y CA -0.679 57.503 58.100 0.137 0.000 1.215 83 Y CB 0.996 39.484 38.460 0.047 0.000 1.120 83 Y HN 0.399 nan 8.280 nan 0.000 0.499 84 Y N 4.844 125.309 120.300 0.275 0.000 2.504 84 Y HA 0.479 5.026 4.550 -0.006 0.000 0.339 84 Y C -1.348 174.823 175.900 0.453 0.000 0.974 84 Y CA -1.397 56.884 58.100 0.302 0.000 1.232 84 Y CB 0.154 38.784 38.460 0.283 0.000 1.108 84 Y HN 0.487 nan 8.280 nan 0.000 0.509 85 L N 4.884 126.148 121.223 0.068 0.000 2.276 85 L HA 0.494 4.831 4.340 -0.006 0.000 0.286 85 L C -0.026 176.784 176.870 -0.099 0.000 1.061 85 L CA 0.091 55.001 54.840 0.116 0.000 0.807 85 L CB 1.250 43.385 42.059 0.127 0.000 1.177 85 L HN 0.589 nan 8.230 nan 0.000 0.429 86 S N 2.695 118.406 115.700 0.019 0.000 2.541 86 S HA 0.474 4.940 4.470 -0.006 0.000 0.271 86 S C 0.176 174.806 174.600 0.049 0.000 1.133 86 S CA -0.619 57.484 58.200 -0.163 0.000 0.876 86 S CB 1.021 63.807 63.200 -0.691 0.000 1.105 86 S HN 0.472 nan 8.310 nan 0.000 0.470 87 L N 2.500 123.800 121.223 0.127 0.000 2.591 87 L HA 0.426 4.762 4.340 -0.006 0.000 0.228 87 L C 0.145 177.178 176.870 0.272 0.000 1.133 87 L CA 1.125 56.114 54.840 0.248 0.000 0.880 87 L CB -1.022 41.194 42.059 0.262 0.000 1.033 87 L HN 0.719 nan 8.230 nan 0.000 0.450 88 E N -1.078 119.150 120.200 0.047 0.000 2.343 88 E HA 0.381 4.727 4.350 -0.006 0.000 0.278 88 E C -1.548 174.895 176.600 -0.262 0.000 0.910 88 E CA -0.444 55.989 56.400 0.054 0.000 0.757 88 E CB 2.144 31.878 29.700 0.057 0.000 1.218 88 E HN -0.180 nan 8.360 nan 0.000 0.435 89 F N 2.018 122.075 119.950 0.179 0.000 3.090 89 F HA 0.155 4.678 4.527 -0.007 0.000 0.381 89 F C -1.014 174.877 175.800 0.153 0.000 1.231 89 F CA -0.693 57.410 58.000 0.171 0.000 1.177 89 F CB 0.885 39.977 39.000 0.153 0.000 1.598 89 F HN 0.476 nan 8.300 nan 0.000 0.589 90 Y N 5.109 125.491 120.300 0.138 0.000 2.632 90 Y HA 0.210 4.757 4.550 -0.006 0.000 0.336 90 Y C 1.030 176.961 175.900 0.052 0.000 1.237 90 Y CA -0.986 57.145 58.100 0.052 0.000 1.595 90 Y CB 0.373 38.846 38.460 0.022 0.000 1.508 90 Y HN 0.504 nan 8.280 nan 0.000 0.480 91 M N 1.936 121.715 119.600 0.299 0.000 2.349 91 M HA 0.113 4.590 4.480 -0.006 0.000 0.266 91 M C 1.525 177.845 176.300 0.034 0.000 1.076 91 M CA 1.021 56.396 55.300 0.126 0.000 1.126 91 M CB -1.315 31.324 32.600 0.064 0.000 1.392 91 M HN 0.691 nan 8.290 nan 0.000 0.440 92 G N 1.346 110.206 108.800 0.099 0.000 2.601 92 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.252 92 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.252 92 G C -0.318 174.563 174.900 -0.032 0.000 1.294 92 G CA -0.319 44.779 45.100 -0.002 0.000 0.912 92 G HN 0.459 nan 8.290 nan 0.000 0.574 93 R N -0.938 119.517 120.500 -0.075 0.000 2.615 93 R HA 0.545 4.881 4.340 -0.006 0.000 0.270 93 R C 1.145 177.337 176.300 -0.181 0.000 1.081 93 R CA 0.376 56.434 56.100 -0.070 0.000 1.154 93 R CB 0.560 30.822 30.300 -0.065 0.000 1.063 93 R HN 0.523 nan 8.270 nan 0.000 0.519 94 T N 1.025 115.418 114.554 -0.269 0.000 2.978 94 T HA -0.006 4.340 4.350 -0.006 0.000 0.248 94 T C 1.428 175.737 174.700 -0.651 0.000 1.018 94 T CA -0.185 61.542 62.100 -0.621 0.000 1.026 94 T CB 0.123 68.222 68.868 -1.282 0.000 1.032 94 T HN 0.317 nan 8.240 nan 0.000 0.485 95 L N 2.163 123.225 121.223 -0.269 0.000 1.956 95 L HA -0.113 4.223 4.340 -0.006 0.000 0.216 95 L C 2.446 179.273 176.870 -0.071 0.000 1.073 95 L CA 2.094 56.928 54.840 -0.010 0.000 0.762 95 L CB -0.801 41.458 42.059 0.333 0.000 0.889 95 L HN 0.216 nan 8.230 nan 0.000 0.433 96 Q N -0.750 119.012 119.800 -0.065 0.000 2.050 96 Q HA -0.265 4.071 4.340 -0.006 0.000 0.202 96 Q C 2.259 178.187 176.000 -0.120 0.000 0.980 96 Q CA 2.021 57.781 55.803 -0.072 0.000 0.840 96 Q CB -0.377 28.315 28.738 -0.076 0.000 0.898 96 Q HN 0.735 nan 8.270 nan 0.000 0.424 97 N N -1.187 117.403 118.700 -0.183 0.000 2.149 97 N HA -0.158 4.578 4.740 -0.006 0.000 0.188 97 N C 1.323 176.727 175.510 -0.176 0.000 1.019 97 N CA 1.758 54.694 53.050 -0.190 0.000 0.857 97 N CB 0.059 38.401 38.487 -0.241 0.000 0.997 97 N HN 0.246 nan 8.380 nan 0.000 0.426 98 T N 1.071 115.482 114.554 -0.238 0.000 2.777 98 T HA -0.035 4.311 4.350 -0.006 0.000 0.266 98 T C 2.033 176.670 174.700 -0.105 0.000 1.040 98 T CA 0.996 62.975 62.100 -0.201 0.000 1.141 98 T CB -0.051 68.651 68.868 -0.276 0.000 0.868 98 T HN 0.262 nan 8.240 nan 0.000 0.444 99 M N 0.508 120.062 119.600 -0.078 0.000 2.117 99 M HA -0.075 4.401 4.480 -0.006 0.000 0.262 99 M C 2.477 178.743 176.300 -0.056 0.000 1.065 99 M CA 1.160 56.426 55.300 -0.057 0.000 1.114 99 M CB -0.620 31.962 32.600 -0.031 0.000 1.361 99 M HN 0.082 nan 8.290 nan 0.000 0.408 100 V N 1.146 121.035 119.914 -0.041 0.000 2.255 100 V HA -0.303 3.813 4.120 -0.006 0.000 0.247 100 V C 2.022 178.133 176.094 0.028 0.000 1.051 100 V CA 1.900 64.205 62.300 0.009 0.000 1.018 100 V CB -0.794 31.038 31.823 0.015 0.000 0.641 100 V HN 0.508 nan 8.190 nan 0.000 0.445 101 N N -0.197 118.508 118.700 0.009 0.000 2.364 101 N HA -0.045 4.691 4.740 -0.006 0.000 0.183 101 N C 1.470 176.889 175.510 -0.152 0.000 1.022 101 N CA 1.098 54.133 53.050 -0.025 0.000 0.883 101 N CB -0.011 38.470 38.487 -0.010 0.000 0.965 101 N HN 0.428 nan 8.380 nan 0.000 0.438 102 L N 0.046 121.197 121.223 -0.119 0.000 2.640 102 L HA 0.269 4.605 4.340 -0.006 0.000 0.230 102 L C 0.667 177.457 176.870 -0.133 0.000 1.123 102 L CA -0.111 54.658 54.840 -0.119 0.000 0.900 102 L CB 0.079 42.090 42.059 -0.080 0.000 1.146 102 L HN -0.049 nan 8.230 nan 0.000 0.484 103 A N 0.415 123.154 122.820 -0.136 0.000 2.930 103 A HA -0.199 4.117 4.320 -0.006 0.000 0.273 103 A C 0.872 178.400 177.584 -0.093 0.000 1.435 103 A CA 0.833 52.803 52.037 -0.113 0.000 0.780 103 A CB -2.043 16.879 19.000 -0.130 0.000 1.034 103 A HN 0.411 nan 8.150 nan 0.000 0.562 104 L N -1.521 119.643 121.223 -0.098 0.000 2.664 104 L HA 0.147 4.483 4.340 -0.006 0.000 0.233 104 L C 1.959 178.790 176.870 -0.066 0.000 1.113 104 L CA 0.721 55.495 54.840 -0.110 0.000 0.896 104 L CB -0.000 41.950 42.059 -0.180 0.000 1.163 104 L HN 0.636 nan 8.230 nan 0.000 0.497 105 E N 1.309 121.482 120.200 -0.045 0.000 2.065 105 E HA -0.295 4.051 4.350 -0.006 0.000 0.201 105 E C 1.649 178.238 176.600 -0.019 0.000 1.016 105 E CA 2.192 58.578 56.400 -0.024 0.000 0.818 105 E CB 0.040 29.730 29.700 -0.016 0.000 0.749 105 E HN 0.511 nan 8.360 nan 0.000 0.453 106 N N -0.796 117.892 118.700 -0.021 0.000 2.188 106 N HA -0.123 4.613 4.740 -0.006 0.000 0.184 106 N C 1.719 177.218 175.510 -0.017 0.000 1.018 106 N CA 0.651 53.690 53.050 -0.019 0.000 0.858 106 N CB -0.073 38.403 38.487 -0.019 0.000 0.989 106 N HN 0.179 nan 8.380 nan 0.000 0.426 107 A N 0.441 123.248 122.820 -0.022 0.000 1.877 107 A HA -0.154 4.162 4.320 -0.006 0.000 0.216 107 A C 2.372 179.951 177.584 -0.008 0.000 1.186 107 A CA 1.071 53.099 52.037 -0.016 0.000 0.620 107 A CB -0.889 18.094 19.000 -0.028 0.000 0.822 107 A HN 0.459 nan 8.150 nan 0.000 0.443 108 C N -0.817 118.476 119.300 -0.011 0.000 2.435 108 C HA -0.045 4.411 4.460 -0.006 0.000 0.279 108 C C 2.439 177.432 174.990 0.005 0.000 1.321 108 C CA 1.061 60.082 59.018 0.005 0.000 1.752 108 C CB -1.074 26.676 27.740 0.017 0.000 1.959 108 C HN 0.718 nan 8.230 nan 0.000 0.500 109 D N 0.838 121.241 120.400 0.005 0.000 2.117 109 D HA -0.139 4.498 4.640 -0.006 0.000 0.198 109 D C 2.126 178.444 176.300 0.030 0.000 0.982 109 D CA 1.468 55.475 54.000 0.011 0.000 0.828 109 D CB -0.201 40.595 40.800 -0.006 0.000 0.967 109 D HN 0.466 nan 8.370 nan 0.000 0.464 110 E N 0.211 120.424 120.200 0.023 0.000 2.046 110 E HA -0.015 4.331 4.350 -0.006 0.000 0.190 110 E C 1.899 178.541 176.600 0.071 0.000 0.982 110 E CA 1.550 57.986 56.400 0.059 0.000 0.800 110 E CB -0.620 29.098 29.700 0.030 0.000 0.756 110 E HN 0.201 nan 8.360 nan 0.000 0.449 111 A N 0.032 122.859 122.820 0.011 0.000 1.865 111 A HA -0.235 4.081 4.320 -0.006 0.000 0.217 111 A C 2.504 180.013 177.584 -0.125 0.000 1.191 111 A CA 3.060 55.073 52.037 -0.041 0.000 0.623 111 A CB -1.569 17.411 19.000 -0.033 0.000 0.826 111 A HN 0.522 nan 8.150 nan 0.000 0.444 112 T N -3.270 111.205 114.554 -0.132 0.000 2.788 112 T HA -0.235 4.111 4.350 -0.006 0.000 0.268 112 T C 1.846 176.460 174.700 -0.144 0.000 1.044 112 T CA 1.578 63.540 62.100 -0.230 0.000 1.139 112 T CB -0.606 68.178 68.868 -0.140 0.000 0.867 112 T HN 0.505 nan 8.240 nan 0.000 0.454 113 Y N 2.123 122.343 120.300 -0.133 0.000 2.181 113 Y HA -0.063 4.484 4.550 -0.005 0.000 0.288 113 Y C 2.605 178.442 175.900 -0.105 0.000 1.146 113 Y CA 1.386 59.426 58.100 -0.099 0.000 1.164 113 Y CB -0.543 37.880 38.460 -0.063 0.000 0.982 113 Y HN 0.217 nan 8.280 nan 0.000 0.515 114 Q N -0.172 119.523 119.800 -0.176 0.000 2.291 114 Q HA -0.105 4.231 4.340 -0.006 0.000 0.206 114 Q C 1.802 177.642 176.000 -0.265 0.000 0.976 114 Q CA 1.240 56.899 55.803 -0.239 0.000 0.875 114 Q CB -0.080 28.608 28.738 -0.083 0.000 0.927 114 Q HN 0.523 nan 8.270 nan 0.000 0.450 115 L N -0.983 120.069 121.223 -0.285 0.000 2.592 115 L HA 0.151 4.487 4.340 -0.006 0.000 0.227 115 L C 0.935 177.619 176.870 -0.310 0.000 1.127 115 L CA 0.277 54.931 54.840 -0.310 0.000 0.884 115 L CB 0.138 41.913 42.059 -0.474 0.000 1.065 115 L HN 0.355 nan 8.230 nan 0.000 0.457 116 G N 0.712 109.317 108.800 -0.326 0.000 2.137 116 G HA2 -0.258 3.698 3.960 -0.006 0.000 0.237 116 G HA3 -0.258 3.698 3.960 -0.006 0.000 0.237 116 G C -0.114 174.659 174.900 -0.212 0.000 1.002 116 G CA -0.018 44.916 45.100 -0.277 0.000 0.702 116 G HN 0.248 nan 8.290 nan 0.000 0.515 117 L N -0.294 120.801 121.223 -0.213 0.000 2.333 117 L HA 0.650 4.986 4.340 -0.006 0.000 0.269 117 L C -0.473 176.383 176.870 -0.023 0.000 1.010 117 L CA -1.186 53.571 54.840 -0.139 0.000 0.818 117 L CB 1.801 43.719 42.059 -0.234 0.000 1.306 117 L HN 0.073 nan 8.230 nan 0.000 0.430 118 D N 1.772 122.187 120.400 0.026 0.000 2.443 118 D HA 0.176 4.812 4.640 -0.006 0.000 0.221 118 D C 0.695 177.034 176.300 0.065 0.000 1.097 118 D CA -0.297 53.741 54.000 0.062 0.000 0.865 118 D CB 1.415 42.254 40.800 0.066 0.000 1.034 118 D HN 0.517 nan 8.370 nan 0.000 0.511 119 M N 3.067 122.703 119.600 0.060 0.000 2.144 119 M HA -0.208 4.269 4.480 -0.006 0.000 0.260 119 M C 1.301 177.649 176.300 0.080 0.000 1.067 119 M CA 1.719 57.063 55.300 0.073 0.000 1.095 119 M CB 0.195 32.828 32.600 0.056 0.000 1.365 119 M HN 0.412 nan 8.290 nan 0.000 0.406 120 E N -0.384 119.852 120.200 0.061 0.000 2.106 120 E HA -0.258 4.088 4.350 -0.006 0.000 0.192 120 E C 1.855 178.493 176.600 0.062 0.000 0.984 120 E CA 1.494 57.926 56.400 0.054 0.000 0.806 120 E CB -0.232 29.494 29.700 0.043 0.000 0.750 120 E HN 0.678 nan 8.360 nan 0.000 0.458 121 E N 1.159 121.402 120.200 0.070 0.000 2.110 121 E HA -0.191 4.155 4.350 -0.006 0.000 0.193 121 E C 2.115 178.763 176.600 0.080 0.000 0.988 121 E CA 0.668 57.111 56.400 0.072 0.000 0.804 121 E CB -0.003 29.744 29.700 0.077 0.000 0.745 121 E HN 0.226 nan 8.360 nan 0.000 0.458 122 L N 0.570 121.864 121.223 0.118 0.000 2.056 122 L HA -0.146 4.191 4.340 -0.006 0.000 0.207 122 L C 2.431 179.373 176.870 0.121 0.000 1.078 122 L CA 1.424 56.370 54.840 0.178 0.000 0.749 122 L CB -0.466 41.749 42.059 0.260 0.000 0.901 122 L HN 0.194 nan 8.230 nan 0.000 0.433 123 E N -0.166 120.092 120.200 0.097 0.000 2.204 123 E HA -0.204 4.142 4.350 -0.006 0.000 0.195 123 E C 1.955 178.512 176.600 -0.072 0.000 0.990 123 E CA 0.693 57.116 56.400 0.038 0.000 0.821 123 E CB 0.076 29.802 29.700 0.044 0.000 0.750 123 E HN 0.337 nan 8.360 nan 0.000 0.477 124 E N 0.349 120.526 120.200 -0.039 0.000 2.338 124 E HA -0.131 4.216 4.350 -0.006 0.000 0.197 124 E C 1.848 178.379 176.600 -0.116 0.000 1.007 124 E CA 0.466 56.843 56.400 -0.038 0.000 0.849 124 E CB 0.074 29.789 29.700 0.025 0.000 0.774 124 E HN 0.327 nan 8.360 nan 0.000 0.506 125 I N 0.710 121.143 120.570 -0.229 0.000 2.353 125 I HA -0.110 4.056 4.170 -0.006 0.000 0.248 125 I C 1.344 177.146 176.117 -0.524 0.000 1.119 125 I CA 0.375 61.467 61.300 -0.347 0.000 1.417 125 I CB -0.981 36.788 38.000 -0.386 0.000 1.078 125 I HN 0.112 nan 8.210 nan 0.000 0.421 126 E N 2.824 122.547 120.200 -0.794 0.000 2.452 126 E HA -0.081 4.265 4.350 -0.006 0.000 0.261 126 E C -0.144 176.367 176.600 -0.149 0.000 0.987 126 E CA -0.042 56.003 56.400 -0.591 0.000 0.926 126 E CB 0.651 30.107 29.700 -0.406 0.000 0.934 126 E HN 0.121 nan 8.360 nan 0.000 0.452 127 E N 3.436 123.650 120.200 0.023 0.000 2.313 127 E HA 0.059 4.405 4.350 -0.006 0.000 0.276 127 E C -0.735 175.973 176.600 0.181 0.000 1.031 127 E CA -0.324 56.169 56.400 0.155 0.000 0.857 127 E CB 0.860 30.743 29.700 0.305 0.000 1.040 127 E HN 0.482 nan 8.360 nan 0.000 0.408 128 D N 1.160 121.639 120.400 0.131 0.000 2.458 128 D HA 0.096 4.732 4.640 -0.006 0.000 0.243 128 D C -0.475 175.867 176.300 0.071 0.000 1.146 128 D CA 0.103 54.163 54.000 0.099 0.000 0.877 128 D CB 0.637 41.502 40.800 0.108 0.000 1.176 128 D HN 0.376 nan 8.370 nan 0.000 0.461 129 A N 2.952 125.777 122.820 0.008 0.000 2.666 129 A HA 0.457 4.774 4.320 -0.006 0.000 0.312 129 A C 0.993 178.389 177.584 -0.314 0.000 1.471 129 A CA -0.290 51.546 52.037 -0.335 0.000 1.134 129 A CB -0.147 18.737 19.000 -0.194 0.000 1.129 129 A HN 0.481 nan 8.150 nan 0.000 0.539 130 G N 2.045 110.571 108.800 -0.456 0.000 3.717 130 G HA2 0.403 4.359 3.960 -0.006 0.000 0.258 130 G HA3 0.403 4.359 3.960 -0.006 0.000 0.258 130 G C 0.325 174.760 174.900 -0.774 0.000 1.088 130 G CA -0.315 44.406 45.100 -0.631 0.000 1.737 130 G HN 0.697 nan 8.290 nan 0.000 0.648 131 L N 1.435 122.331 121.223 -0.544 0.000 2.922 131 L HA 0.354 4.690 4.340 -0.006 0.000 0.244 131 L C 0.977 177.733 176.870 -0.190 0.000 1.324 131 L CA -0.193 54.503 54.840 -0.239 0.000 1.172 131 L CB -0.422 41.660 42.059 0.038 0.000 1.545 131 L HN 0.314 nan 8.230 nan 0.000 0.438 132 G N -1.195 107.280 108.800 -0.541 0.000 2.720 132 G HA2 0.192 4.148 3.960 -0.006 0.000 0.295 132 G HA3 0.192 4.148 3.960 -0.006 0.000 0.295 132 G C -0.063 174.657 174.900 -0.300 0.000 1.437 132 G CA -0.480 44.448 45.100 -0.286 0.000 0.886 132 G HN -0.071 nan 8.290 nan 0.000 0.509 133 N N -0.398 118.284 118.700 -0.029 0.000 2.251 133 N HA 0.133 4.870 4.740 -0.006 0.000 0.181 133 N C 1.278 176.887 175.510 0.165 0.000 1.019 133 N CA 1.504 54.578 53.050 0.041 0.000 0.862 133 N CB 0.817 39.360 38.487 0.093 0.000 0.992 133 N HN 0.803 nan 8.380 nan 0.000 0.429 134 G N -0.824 108.105 108.800 0.215 0.000 2.947 134 G HA2 0.196 4.152 3.960 -0.006 0.000 0.115 134 G HA3 0.196 4.152 3.960 -0.006 0.000 0.115 134 G C 0.791 175.779 174.900 0.147 0.000 1.214 134 G CA 0.251 45.476 45.100 0.209 0.000 1.324 134 G HN 0.190 nan 8.290 nan 0.000 0.645 135 G N 0.570 109.431 108.800 0.102 0.000 2.514 135 G HA2 -0.157 3.799 3.960 -0.006 0.000 0.217 135 G HA3 -0.157 3.799 3.960 -0.006 0.000 0.217 135 G C 1.922 176.836 174.900 0.024 0.000 1.198 135 G CA 1.642 46.773 45.100 0.051 0.000 0.780 135 G HN 0.925 nan 8.290 nan 0.000 0.565 136 L N 0.744 121.972 121.223 0.008 0.000 2.042 136 L HA 0.046 4.383 4.340 -0.006 0.000 0.210 136 L C 2.819 179.653 176.870 -0.060 0.000 1.076 136 L CA 2.130 56.910 54.840 -0.099 0.000 0.749 136 L CB -0.579 41.362 42.059 -0.198 0.000 0.893 136 L HN 0.257 nan 8.230 nan 0.000 0.432 137 G N -0.649 108.170 108.800 0.031 0.000 2.402 137 G HA2 -0.301 3.655 3.960 -0.006 0.000 0.216 137 G HA3 -0.301 3.655 3.960 -0.006 0.000 0.216 137 G C 1.633 176.609 174.900 0.128 0.000 1.162 137 G CA 0.680 45.826 45.100 0.075 0.000 0.777 137 G HN 0.295 nan 8.290 nan 0.000 0.539 138 R N 0.063 120.641 120.500 0.130 0.000 2.092 138 R HA 0.117 4.453 4.340 -0.006 0.000 0.231 138 R C 2.338 178.656 176.300 0.030 0.000 1.119 138 R CA 0.843 57.000 56.100 0.095 0.000 0.970 138 R CB -0.949 29.365 30.300 0.023 0.000 0.864 138 R HN 0.337 nan 8.270 nan 0.000 0.440 139 L N 0.192 121.367 121.223 -0.080 0.000 2.046 139 L HA -0.018 4.319 4.340 -0.006 0.000 0.208 139 L C 2.090 178.717 176.870 -0.404 0.000 1.077 139 L CA 2.167 56.815 54.840 -0.321 0.000 0.747 139 L CB -0.861 40.968 42.059 -0.382 0.000 0.896 139 L HN 0.250 nan 8.230 nan 0.000 0.432 140 A N -0.542 122.207 122.820 -0.118 0.000 1.908 140 A HA -0.189 4.127 4.320 -0.006 0.000 0.218 140 A C 2.443 180.214 177.584 0.312 0.000 1.181 140 A CA 1.998 54.134 52.037 0.166 0.000 0.627 140 A CB -1.193 17.778 19.000 -0.049 0.000 0.818 140 A HN 0.574 nan 8.150 nan 0.000 0.445 141 A N -1.294 121.682 122.820 0.259 0.000 1.930 141 A HA -0.136 4.180 4.320 -0.006 0.000 0.217 141 A C 2.293 179.998 177.584 0.202 0.000 1.175 141 A CA 1.625 53.826 52.037 0.273 0.000 0.627 141 A CB -1.170 17.962 19.000 0.220 0.000 0.815 141 A HN 0.599 nan 8.150 nan 0.000 0.443 142 C N -1.520 117.885 119.300 0.176 0.000 2.440 142 C HA -0.007 4.449 4.460 -0.006 0.000 0.278 142 C C 2.396 177.581 174.990 0.325 0.000 1.295 142 C CA 0.421 59.574 59.018 0.225 0.000 1.738 142 C CB -1.536 26.346 27.740 0.237 0.000 1.987 142 C HN 0.612 nan 8.230 nan 0.000 0.492 143 F N 0.536 120.523 119.950 0.061 0.000 2.134 143 F HA -0.069 4.454 4.527 -0.007 0.000 0.299 143 F C 2.120 177.895 175.800 -0.041 0.000 1.097 143 F CA 0.994 58.966 58.000 -0.048 0.000 1.264 143 F CB -1.397 37.449 39.000 -0.257 0.000 1.001 143 F HN 0.096 nan 8.300 nan 0.000 0.479 144 L N 0.385 121.746 121.223 0.230 0.000 2.012 144 L HA -0.234 4.102 4.340 -0.006 0.000 0.210 144 L C 2.409 179.324 176.870 0.075 0.000 1.073 144 L CA 1.896 56.816 54.840 0.134 0.000 0.748 144 L CB -1.223 40.929 42.059 0.155 0.000 0.891 144 L HN 0.180 nan 8.230 nan 0.000 0.431 145 D N -1.361 119.093 120.400 0.089 0.000 2.117 145 D HA -0.166 4.470 4.640 -0.006 0.000 0.197 145 D C 1.884 178.220 176.300 0.060 0.000 0.987 145 D CA 1.512 55.543 54.000 0.052 0.000 0.829 145 D CB 0.442 41.271 40.800 0.048 0.000 0.961 145 D HN 0.310 nan 8.370 nan 0.000 0.460 146 S N -0.225 115.529 115.700 0.090 0.000 2.406 146 S HA -0.020 4.446 4.470 -0.006 0.000 0.228 146 S C 2.090 176.714 174.600 0.040 0.000 1.020 146 S CA 0.525 58.766 58.200 0.068 0.000 0.965 146 S CB -0.041 63.208 63.200 0.083 0.000 0.798 146 S HN 0.331 nan 8.310 nan 0.000 0.488 147 M N 0.910 120.526 119.600 0.026 0.000 2.229 147 M HA -0.070 4.406 4.480 -0.006 0.000 0.264 147 M C 2.389 178.695 176.300 0.009 0.000 1.063 147 M CA 1.297 56.602 55.300 0.009 0.000 1.114 147 M CB -0.427 32.152 32.600 -0.034 0.000 1.387 147 M HN 0.396 nan 8.290 nan 0.000 0.420 148 A N -0.384 122.444 122.820 0.012 0.000 1.897 148 A HA -0.104 4.212 4.320 -0.006 0.000 0.215 148 A C 2.146 179.753 177.584 0.038 0.000 1.181 148 A CA 1.885 53.934 52.037 0.020 0.000 0.620 148 A CB -1.015 17.986 19.000 0.001 0.000 0.821 148 A HN 0.384 nan 8.150 nan 0.000 0.443 149 T N 0.445 115.026 114.554 0.045 0.000 2.833 149 T HA -0.007 4.340 4.350 -0.006 0.000 0.269 149 T C 1.321 176.055 174.700 0.057 0.000 1.054 149 T CA 1.009 63.148 62.100 0.064 0.000 1.135 149 T CB -0.267 68.649 68.868 0.079 0.000 0.869 149 T HN 0.317 nan 8.240 nan 0.000 0.466 150 L N 0.567 121.819 121.223 0.049 0.000 2.629 150 L HA 0.260 4.596 4.340 -0.006 0.000 0.230 150 L C 1.655 178.557 176.870 0.054 0.000 1.151 150 L CA 0.070 54.938 54.840 0.048 0.000 0.924 150 L CB -0.749 41.337 42.059 0.045 0.000 1.137 150 L HN 0.410 nan 8.230 nan 0.000 0.457 151 G N 1.399 110.236 108.800 0.061 0.000 2.305 151 G HA2 -0.290 3.666 3.960 -0.006 0.000 0.287 151 G HA3 -0.290 3.666 3.960 -0.006 0.000 0.287 151 G C 0.097 175.049 174.900 0.087 0.000 1.036 151 G CA 0.122 45.276 45.100 0.090 0.000 0.887 151 G HN 0.313 nan 8.290 nan 0.000 0.505 152 L N -0.249 120.990 121.223 0.028 0.000 2.334 152 L HA 0.624 4.960 4.340 -0.006 0.000 0.277 152 L C 1.157 177.883 176.870 -0.240 0.000 1.075 152 L CA -0.446 54.353 54.840 -0.068 0.000 0.804 152 L CB 1.705 43.734 42.059 -0.051 0.000 1.174 152 L HN 0.250 nan 8.230 nan 0.000 0.438 153 A N 3.107 125.616 122.820 -0.518 0.000 2.981 153 A HA 0.561 4.877 4.320 -0.006 0.000 0.280 153 A C 0.330 177.436 177.584 -0.796 0.000 1.743 153 A CA -0.177 51.177 52.037 -1.138 0.000 1.430 153 A CB -0.641 17.561 19.000 -1.330 0.000 1.085 153 A HN 0.697 nan 8.150 nan 0.000 0.597 154 A N 1.435 123.852 122.820 -0.671 0.000 2.324 154 A HA 0.768 5.085 4.320 -0.006 0.000 0.330 154 A C -1.075 176.118 177.584 -0.652 0.000 1.165 154 A CA -0.442 51.262 52.037 -0.555 0.000 0.813 154 A CB 0.670 19.468 19.000 -0.336 0.000 1.197 154 A HN 0.598 nan 8.150 nan 0.000 0.484 155 Y N 0.600 120.818 120.300 -0.136 0.000 2.326 155 Y HA 0.515 5.062 4.550 -0.006 0.000 0.329 155 Y C 0.895 176.915 175.900 0.199 0.000 0.973 155 Y CA -0.530 57.592 58.100 0.037 0.000 1.162 155 Y CB 2.085 40.655 38.460 0.182 0.000 1.147 155 Y HN 0.823 nan 8.280 nan 0.000 0.456 156 G N 2.462 111.364 108.800 0.171 0.000 2.370 156 G HA2 0.389 4.346 3.960 -0.006 0.000 0.272 156 G HA3 0.389 4.346 3.960 -0.006 0.000 0.272 156 G C -1.607 173.307 174.900 0.024 0.000 1.208 156 G CA -0.155 45.054 45.100 0.181 0.000 0.856 156 G HN 0.550 nan 8.290 nan 0.000 0.500 157 Y N 1.147 121.625 120.300 0.296 0.000 2.361 157 Y HA 0.598 5.145 4.550 -0.006 0.000 0.337 157 Y C 0.731 176.896 175.900 0.443 0.000 0.965 157 Y CA 0.197 58.454 58.100 0.262 0.000 1.091 157 Y CB 2.621 41.280 38.460 0.331 0.000 1.182 157 Y HN 0.876 nan 8.280 nan 0.000 0.450 158 G N 2.259 111.342 108.800 0.472 0.000 2.896 158 G HA2 0.522 4.478 3.960 -0.006 0.000 0.247 158 G HA3 0.522 4.478 3.960 -0.006 0.000 0.247 158 G C -1.987 173.142 174.900 0.382 0.000 1.187 158 G CA -0.721 44.702 45.100 0.538 0.000 0.837 158 G HN 0.559 nan 8.290 nan 0.000 0.559 159 I N 0.236 120.936 120.570 0.216 0.000 2.545 159 I HA 0.611 4.777 4.170 -0.006 0.000 0.292 159 I C -0.054 175.981 176.117 -0.137 0.000 1.040 159 I CA -1.129 60.222 61.300 0.085 0.000 1.068 159 I CB 2.025 39.998 38.000 -0.044 0.000 1.251 159 I HN 0.436 nan 8.210 nan 0.000 0.424 160 R N 6.776 127.299 120.500 0.038 0.000 2.608 160 R HA 0.233 4.569 4.340 -0.006 0.000 0.277 160 R C -1.488 174.872 176.300 0.099 0.000 1.341 160 R CA -0.361 55.784 56.100 0.075 0.000 1.199 160 R CB -0.023 30.301 30.300 0.039 0.000 1.156 160 R HN 0.512 nan 8.270 nan 0.000 0.558 161 Y N 1.397 121.847 120.300 0.251 0.000 2.411 161 Y HA -0.065 4.481 4.550 -0.007 0.000 0.333 161 Y C 1.570 177.629 175.900 0.266 0.000 1.186 161 Y CA 0.035 58.268 58.100 0.223 0.000 1.381 161 Y CB 0.791 39.358 38.460 0.180 0.000 1.273 161 Y HN 0.573 nan 8.280 nan 0.000 0.546 162 E N 1.657 122.027 120.200 0.283 0.000 2.158 162 E HA -0.024 4.322 4.350 -0.006 0.000 0.191 162 E C -0.785 175.654 176.600 -0.268 0.000 0.982 162 E CA 0.613 56.963 56.400 -0.083 0.000 0.823 162 E CB 0.215 29.761 29.700 -0.257 0.000 0.766 162 E HN 0.477 nan 8.360 nan 0.000 0.468 163 F N -0.378 119.781 119.950 0.349 0.000 2.507 163 F HA 0.417 4.941 4.527 -0.006 0.000 0.328 163 F C 0.782 176.646 175.800 0.107 0.000 1.136 163 F CA -0.860 57.297 58.000 0.262 0.000 0.930 163 F CB 1.762 40.847 39.000 0.143 0.000 1.166 163 F HN -0.131 nan 8.300 nan 0.000 0.436 164 G N 1.871 110.742 108.800 0.118 0.000 2.624 164 G HA2 0.303 4.259 3.960 -0.006 0.000 0.217 164 G HA3 0.303 4.259 3.960 -0.006 0.000 0.217 164 G C -0.462 174.368 174.900 -0.118 0.000 1.506 164 G CA -0.581 44.429 45.100 -0.151 0.000 1.072 164 G HN 0.553 nan 8.290 nan 0.000 0.568 165 I N 1.010 121.431 120.570 -0.249 0.000 2.618 165 I HA 0.260 4.426 4.170 -0.006 0.000 0.284 165 I C 0.578 176.590 176.117 -0.175 0.000 1.146 165 I CA -1.177 59.980 61.300 -0.239 0.000 1.425 165 I CB -0.194 37.578 38.000 -0.380 0.000 1.383 165 I HN 0.348 nan 8.210 nan 0.000 0.562 166 F N 5.189 125.139 119.950 -0.000 0.000 2.628 166 F HA 0.155 4.679 4.527 -0.006 0.000 0.346 166 F C 0.275 176.117 175.800 0.070 0.000 1.188 166 F CA -0.438 57.585 58.000 0.039 0.000 1.376 166 F CB -0.450 38.562 39.000 0.020 0.000 1.104 166 F HN 0.529 nan 8.300 nan 0.000 0.616 167 N N 1.506 120.364 118.700 0.264 0.000 2.472 167 N HA 0.089 4.826 4.740 -0.006 0.000 0.277 167 N C -1.003 174.723 175.510 0.360 0.000 1.081 167 N CA -0.672 52.500 53.050 0.203 0.000 0.973 167 N CB 0.729 39.337 38.487 0.202 0.000 1.105 167 N HN 0.664 nan 8.380 nan 0.000 0.470 168 Q N 2.957 122.931 119.800 0.290 0.000 2.274 168 Q HA 0.196 4.532 4.340 -0.006 0.000 0.256 168 Q C -1.029 175.146 176.000 0.291 0.000 0.927 168 Q CA -0.391 55.645 55.803 0.387 0.000 0.939 168 Q CB 0.638 29.600 28.738 0.374 0.000 1.201 168 Q HN 0.368 nan 8.270 nan 0.000 0.426 169 K N 3.978 124.530 120.400 0.252 0.000 2.203 169 K HA 0.511 4.827 4.320 -0.006 0.000 0.251 169 K C -0.643 176.065 176.600 0.179 0.000 0.944 169 K CA -0.959 55.450 56.287 0.204 0.000 0.829 169 K CB 1.617 34.211 32.500 0.157 0.000 1.125 169 K HN 0.596 nan 8.250 nan 0.000 0.430 170 I N 2.218 122.886 120.570 0.164 0.000 2.382 170 I HA 0.225 4.392 4.170 -0.006 0.000 0.286 170 I C -0.519 175.664 176.117 0.111 0.000 1.002 170 I CA -0.637 60.733 61.300 0.116 0.000 1.135 170 I CB 0.985 39.039 38.000 0.091 0.000 1.288 170 I HN 0.483 nan 8.210 nan 0.000 0.448 171 C N 3.816 123.189 119.300 0.123 0.000 2.346 171 C HA 0.612 5.068 4.460 -0.006 0.000 0.326 171 C C 1.100 176.195 174.990 0.175 0.000 1.224 171 C CA -0.545 58.546 59.018 0.122 0.000 1.408 171 C CB 0.569 28.368 27.740 0.098 0.000 2.089 171 C HN 1.092 nan 8.230 nan 0.000 0.456 172 G N 2.278 111.158 108.800 0.133 0.000 2.249 172 G HA2 0.148 4.104 3.960 -0.006 0.000 0.273 172 G HA3 0.148 4.104 3.960 -0.006 0.000 0.273 172 G C 1.063 176.023 174.900 0.099 0.000 1.036 172 G CA 0.922 46.115 45.100 0.156 0.000 0.824 172 G HN 2.438 nan 8.290 nan 0.000 0.504 173 G N -3.019 105.777 108.800 -0.006 0.000 2.179 173 G HA2 -0.275 3.681 3.960 -0.006 0.000 0.260 173 G HA3 -0.275 3.681 3.960 -0.006 0.000 0.260 173 G C 0.324 175.030 174.900 -0.322 0.000 0.977 173 G CA 0.729 45.708 45.100 -0.203 0.000 0.641 173 G HN 1.260 nan 8.290 nan 0.000 0.533 174 W N 0.467 121.712 121.300 -0.093 0.000 2.639 174 W HA 0.683 5.339 4.660 -0.006 0.000 0.347 174 W C 0.513 176.972 176.519 -0.101 0.000 1.067 174 W CA -0.941 56.338 57.345 -0.109 0.000 1.218 174 W CB 0.865 30.282 29.460 -0.072 0.000 1.393 174 W HN 0.270 nan 8.180 nan 0.000 0.557 175 Q N 2.385 122.286 119.800 0.167 0.000 2.327 175 Q HA 0.401 4.737 4.340 -0.006 0.000 0.254 175 Q C -0.755 175.300 176.000 0.092 0.000 0.952 175 Q CA 0.028 55.895 55.803 0.106 0.000 0.884 175 Q CB 0.712 29.507 28.738 0.095 0.000 1.224 175 Q HN 0.317 nan 8.270 nan 0.000 0.422 176 M N 2.900 122.551 119.600 0.085 0.000 2.393 176 M HA 0.379 4.855 4.480 -0.006 0.000 0.299 176 M C -1.399 174.914 176.300 0.022 0.000 1.103 176 M CA -0.686 54.630 55.300 0.025 0.000 0.910 176 M CB 1.952 34.581 32.600 0.048 0.000 1.659 176 M HN 0.663 nan 8.290 nan 0.000 0.445 177 E N 1.404 121.541 120.200 -0.105 0.000 2.175 177 E HA 0.506 4.853 4.350 -0.006 0.000 0.278 177 E C -0.875 175.722 176.600 -0.005 0.000 0.969 177 E CA -0.355 55.956 56.400 -0.148 0.000 0.796 177 E CB 1.680 31.015 29.700 -0.608 0.000 1.104 177 E HN 0.374 nan 8.360 nan 0.000 0.395 178 E N 1.050 121.333 120.200 0.138 0.000 2.266 178 E HA 0.546 4.892 4.350 -0.006 0.000 0.268 178 E C -1.013 175.674 176.600 0.145 0.000 0.879 178 E CA -1.164 55.301 56.400 0.109 0.000 0.762 178 E CB 1.897 31.676 29.700 0.131 0.000 1.199 178 E HN 0.600 nan 8.360 nan 0.000 0.422 179 A N 2.330 125.187 122.820 0.062 0.000 2.511 179 A HA -0.009 4.308 4.320 -0.006 0.000 0.242 179 A C 0.033 177.769 177.584 0.252 0.000 1.069 179 A CA 0.175 52.248 52.037 0.059 0.000 0.763 179 A CB 0.009 18.886 19.000 -0.204 0.000 1.001 179 A HN 0.632 nan 8.150 nan 0.000 0.498 180 D N 1.709 122.334 120.400 0.375 0.000 2.522 180 D HA 0.196 4.832 4.640 -0.006 0.000 0.218 180 D C -0.354 176.274 176.300 0.547 0.000 1.149 180 D CA -0.278 53.951 54.000 0.381 0.000 0.981 180 D CB 0.290 41.241 40.800 0.252 0.000 1.041 180 D HN 0.376 nan 8.370 nan 0.000 0.518 181 D N 3.542 124.231 120.400 0.481 0.000 2.767 181 D HA -0.041 4.595 4.640 -0.006 0.000 0.231 181 D C 1.108 177.549 176.300 0.235 0.000 1.105 181 D CA -0.533 53.666 54.000 0.331 0.000 1.024 181 D CB -0.191 40.792 40.800 0.305 0.000 1.123 181 D HN 0.564 nan 8.370 nan 0.000 0.470 182 W N 1.780 123.112 121.300 0.053 0.000 2.468 182 W HA -0.057 4.599 4.660 -0.006 0.000 0.262 182 W C -0.019 176.547 176.519 0.078 0.000 1.241 182 W CA 0.153 57.547 57.345 0.080 0.000 1.232 182 W CB -0.710 28.794 29.460 0.073 0.000 1.124 182 W HN 0.198 nan 8.180 nan 0.000 0.597 183 L N 1.079 121.977 121.223 -0.542 0.000 2.700 183 L HA 0.227 4.563 4.340 -0.006 0.000 0.234 183 L C 2.655 179.360 176.870 -0.275 0.000 1.156 183 L CA -0.143 54.342 54.840 -0.592 0.000 0.946 183 L CB -0.570 40.975 42.059 -0.857 0.000 1.216 183 L HN -0.110 nan 8.230 nan 0.000 0.493 184 R N 0.679 121.077 120.500 -0.169 0.000 2.096 184 R HA -0.219 4.117 4.340 -0.006 0.000 0.240 184 R C 1.259 177.349 176.300 -0.349 0.000 1.139 184 R CA 2.067 58.009 56.100 -0.263 0.000 0.952 184 R CB -0.179 29.925 30.300 -0.326 0.000 0.854 184 R HN 0.307 nan 8.270 nan 0.000 0.436 185 Y N -0.105 120.209 120.300 0.023 0.000 2.461 185 Y HA 0.321 4.867 4.550 -0.006 0.000 0.277 185 Y C 0.893 176.788 175.900 -0.009 0.000 1.182 185 Y CA 0.445 58.558 58.100 0.023 0.000 1.276 185 Y CB 0.685 39.276 38.460 0.219 0.000 1.087 185 Y HN 0.467 nan 8.280 nan 0.000 0.519 186 G N 1.328 110.165 108.800 0.062 0.000 2.746 186 G HA2 -0.239 3.718 3.960 -0.006 0.000 0.685 186 G HA3 -0.239 3.718 3.960 -0.006 0.000 0.685 186 G C -1.140 173.828 174.900 0.114 0.000 1.350 186 G CA -0.672 44.440 45.100 0.019 0.000 0.837 186 G HN 0.283 nan 8.290 nan 0.000 0.564 187 N N 0.948 119.668 118.700 0.032 0.000 2.573 187 N HA 0.529 5.265 4.740 -0.006 0.000 0.262 187 N C -0.798 174.724 175.510 0.019 0.000 1.029 187 N CA -1.872 51.221 53.050 0.071 0.000 0.882 187 N CB 2.060 40.535 38.487 -0.021 0.000 1.204 187 N HN 0.257 nan 8.380 nan 0.000 0.519 188 P HA 0.020 nan 4.420 nan 0.000 0.230 188 P C 0.591 177.585 177.300 -0.509 0.000 1.158 188 P CA 0.692 63.514 63.100 -0.462 0.000 0.769 188 P CB 0.139 31.247 31.700 -0.986 0.000 0.807 189 W N 1.977 123.312 121.300 0.059 0.000 2.525 189 W HA 0.052 4.709 4.660 -0.006 0.000 0.288 189 W C 1.355 177.930 176.519 0.094 0.000 1.200 189 W CA -0.224 57.145 57.345 0.039 0.000 1.349 189 W CB -0.710 28.759 29.460 0.015 0.000 1.102 189 W HN -0.045 nan 8.180 nan 0.000 0.558 190 E N 2.076 122.481 120.200 0.341 0.000 2.392 190 E HA 0.179 4.525 4.350 -0.006 0.000 0.259 190 E C -0.463 176.336 176.600 0.331 0.000 1.108 190 E CA -0.409 56.195 56.400 0.341 0.000 0.916 190 E CB 0.915 30.815 29.700 0.335 0.000 0.989 190 E HN -0.298 nan 8.360 nan 0.000 0.432 191 K N 1.467 122.082 120.400 0.359 0.000 2.535 191 K HA 0.417 4.733 4.320 -0.006 0.000 0.253 191 K C -1.202 175.450 176.600 0.088 0.000 0.953 191 K CA -0.474 55.950 56.287 0.228 0.000 0.863 191 K CB 1.556 34.188 32.500 0.220 0.000 1.111 191 K HN 0.663 nan 8.250 nan 0.000 0.431 192 A N 4.169 126.960 122.820 -0.048 0.000 2.498 192 A HA 0.360 4.677 4.320 -0.006 0.000 0.239 192 A C -0.277 177.109 177.584 -0.329 0.000 1.068 192 A CA -0.078 51.670 52.037 -0.483 0.000 0.766 192 A CB 0.206 18.922 19.000 -0.472 0.000 1.003 192 A HN 0.669 nan 8.150 nan 0.000 0.497 193 R N 3.018 123.296 120.500 -0.371 0.000 2.748 193 R HA 0.205 4.541 4.340 -0.006 0.000 0.283 193 R C -2.376 173.787 176.300 -0.228 0.000 1.507 193 R CA -1.650 54.309 56.100 -0.235 0.000 1.666 193 R CB 0.756 31.043 30.300 -0.021 0.000 1.237 193 R HN 0.569 nan 8.270 nan 0.000 0.633 194 P HA -0.190 nan 4.420 nan 0.000 0.219 194 P C 0.961 178.173 177.300 -0.148 0.000 1.146 194 P CA 1.154 64.164 63.100 -0.151 0.000 0.808 194 P CB 0.366 31.986 31.700 -0.133 0.000 0.779 195 E N -0.419 119.591 120.200 -0.318 0.000 2.338 195 E HA -0.141 4.205 4.350 -0.006 0.000 0.197 195 E C 0.575 177.012 176.600 -0.272 0.000 1.007 195 E CA 0.912 57.082 56.400 -0.384 0.000 0.849 195 E CB -0.781 28.538 29.700 -0.634 0.000 0.774 195 E HN 0.251 nan 8.360 nan 0.000 0.506 196 F N 1.866 121.826 119.950 0.016 0.000 2.684 196 F HA 0.284 4.807 4.527 -0.006 0.000 0.298 196 F C 0.399 176.287 175.800 0.147 0.000 1.120 196 F CA -0.792 57.247 58.000 0.065 0.000 1.332 196 F CB -0.073 38.957 39.000 0.051 0.000 0.986 196 F HN -0.292 nan 8.300 nan 0.000 0.524 197 T N 3.029 117.729 114.554 0.243 0.000 2.940 197 T HA 0.418 4.764 4.350 -0.006 0.000 0.309 197 T C 0.128 174.930 174.700 0.169 0.000 1.056 197 T CA 0.408 62.644 62.100 0.225 0.000 1.137 197 T CB 0.619 69.569 68.868 0.136 0.000 0.976 197 T HN 0.013 nan 8.240 nan 0.000 0.547 198 L N 4.808 126.092 121.223 0.102 0.000 2.371 198 L HA 0.551 4.887 4.340 -0.006 0.000 0.262 198 L C -2.313 174.504 176.870 -0.088 0.000 1.006 198 L CA -2.621 52.207 54.840 -0.020 0.000 0.818 198 L CB 2.471 44.457 42.059 -0.121 0.000 1.354 198 L HN 0.393 nan 8.230 nan 0.000 0.415 199 P HA 0.272 nan 4.420 nan 0.000 0.290 199 P C -1.156 176.025 177.300 -0.199 0.000 1.276 199 P CA -0.356 62.661 63.100 -0.139 0.000 0.808 199 P CB 1.976 33.606 31.700 -0.118 0.000 0.966 200 V N 4.376 124.144 119.914 -0.243 0.000 2.604 200 V HA 0.334 4.450 4.120 -0.006 0.000 0.305 200 V C 0.217 176.081 176.094 -0.384 0.000 1.043 200 V CA -0.614 61.532 62.300 -0.257 0.000 0.888 200 V CB 1.484 33.184 31.823 -0.205 0.000 0.995 200 V HN 0.609 nan 8.190 nan 0.000 0.429 201 H N 3.787 122.664 119.070 -0.323 0.000 2.499 201 H HA 0.627 5.179 4.556 -0.006 0.000 0.340 201 H C -1.378 173.628 175.328 -0.536 0.000 1.148 201 H CA -0.225 55.561 56.048 -0.437 0.000 1.215 201 H CB 2.039 31.330 29.762 -0.785 0.000 1.529 201 H HN 0.449 nan 8.280 nan 0.000 0.510 202 F N 0.042 120.049 119.950 0.094 0.000 2.613 202 F HA 0.211 4.734 4.527 -0.006 0.000 0.314 202 F C -0.227 175.675 175.800 0.170 0.000 1.075 202 F CA -0.601 57.448 58.000 0.081 0.000 0.945 202 F CB 0.799 39.744 39.000 -0.091 0.000 1.310 202 F HN 0.575 nan 8.300 nan 0.000 0.467 203 Y N 0.173 120.768 120.300 0.491 0.000 2.896 203 Y HA 0.021 4.567 4.550 -0.006 0.000 0.466 203 Y C 1.358 177.514 175.900 0.425 0.000 1.196 203 Y CA 0.757 59.068 58.100 0.350 0.000 2.514 203 Y CB -1.856 36.737 38.460 0.222 0.000 1.231 203 Y HN 1.334 nan 8.280 nan 0.000 0.632 204 G N 0.536 109.617 108.800 0.467 0.000 2.632 204 G HA2 0.147 4.103 3.960 -0.006 0.000 0.224 204 G HA3 0.147 4.103 3.960 -0.006 0.000 0.224 204 G C -0.591 174.527 174.900 0.363 0.000 1.341 204 G CA 0.763 46.064 45.100 0.336 0.000 0.880 204 G HN 1.356 nan 8.290 nan 0.000 0.566 205 R N -2.501 118.207 120.500 0.347 0.000 2.766 205 R HA 0.752 5.089 4.340 -0.006 0.000 0.270 205 R C -1.480 174.970 176.300 0.250 0.000 1.035 205 R CA -0.922 55.329 56.100 0.251 0.000 0.911 205 R CB 1.357 31.752 30.300 0.158 0.000 1.243 205 R HN 0.978 nan 8.270 nan 0.000 0.460 206 V N 0.787 120.773 119.914 0.120 0.000 2.495 206 V HA 0.417 4.533 4.120 -0.006 0.000 0.298 206 V C -0.419 175.645 176.094 -0.051 0.000 1.031 206 V CA -0.697 61.608 62.300 0.008 0.000 0.871 206 V CB 1.609 33.380 31.823 -0.087 0.000 0.988 206 V HN 0.702 nan 8.190 nan 0.000 0.432 207 E N 2.805 122.929 120.200 -0.128 0.000 2.199 207 E HA 0.494 4.840 4.350 -0.006 0.000 0.269 207 E C -1.212 175.234 176.600 -0.256 0.000 0.899 207 E CA -0.752 55.594 56.400 -0.091 0.000 0.772 207 E CB 1.583 31.271 29.700 -0.019 0.000 1.155 207 E HN 0.679 nan 8.360 nan 0.000 0.408 208 H N 2.203 121.288 119.070 0.025 0.000 2.638 208 H HA 0.199 4.751 4.556 -0.006 0.000 0.317 208 H C 0.180 175.516 175.328 0.014 0.000 1.006 208 H CA -0.260 55.798 56.048 0.016 0.000 1.222 208 H CB 1.353 31.119 29.762 0.007 0.000 1.419 208 H HN 0.656 nan 8.280 nan 0.000 0.489 209 T N -0.803 113.803 114.554 0.087 0.000 2.579 209 T HA 0.061 4.408 4.350 -0.006 0.000 0.214 209 T C 1.469 176.201 174.700 0.053 0.000 0.899 209 T CA 0.116 62.251 62.100 0.058 0.000 1.323 209 T CB 0.195 69.082 68.868 0.031 0.000 2.982 209 T HN 0.378 nan 8.240 nan 0.000 0.440 210 S N -0.826 114.896 115.700 0.037 0.000 2.505 210 S HA 0.126 4.592 4.470 -0.006 0.000 0.216 210 S C 1.337 175.955 174.600 0.030 0.000 1.018 210 S CA -0.292 57.926 58.200 0.031 0.000 0.911 210 S CB -0.333 62.881 63.200 0.023 0.000 0.818 210 S HN 0.495 nan 8.310 nan 0.000 0.497 211 Q N 1.070 120.887 119.800 0.028 0.000 2.220 211 Q HA 0.331 4.667 4.340 -0.006 0.000 0.205 211 Q C 1.142 177.160 176.000 0.029 0.000 0.865 211 Q CA 0.458 56.275 55.803 0.024 0.000 0.960 211 Q CB 0.807 29.554 28.738 0.015 0.000 1.097 211 Q HN 0.654 nan 8.270 nan 0.000 0.493 212 G N 1.370 110.197 108.800 0.046 0.000 2.578 212 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.232 212 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.232 212 G C -0.705 174.225 174.900 0.050 0.000 1.176 212 G CA -0.407 44.734 45.100 0.068 0.000 0.968 212 G HN 0.484 nan 8.290 nan 0.000 0.583 213 A N 0.104 122.927 122.820 0.006 0.000 2.312 213 A HA 0.813 5.129 4.320 -0.006 0.000 0.328 213 A C 0.027 177.547 177.584 -0.107 0.000 1.158 213 A CA 0.092 52.036 52.037 -0.155 0.000 0.821 213 A CB 1.101 19.998 19.000 -0.171 0.000 1.170 213 A HN 0.750 nan 8.150 nan 0.000 0.490 214 K N 0.867 121.189 120.400 -0.130 0.000 2.507 214 K HA 0.214 4.530 4.320 -0.006 0.000 0.251 214 K C -1.947 174.684 176.600 0.052 0.000 0.943 214 K CA -0.360 55.911 56.287 -0.027 0.000 0.794 214 K CB 2.051 34.538 32.500 -0.022 0.000 1.188 214 K HN 0.717 nan 8.250 nan 0.000 0.428 215 W N 5.519 126.741 121.300 -0.131 0.000 2.316 215 W HA 0.375 5.031 4.660 -0.006 0.000 0.308 215 W C -0.668 175.802 176.519 -0.082 0.000 1.106 215 W CA -0.768 56.511 57.345 -0.109 0.000 1.262 215 W CB 0.333 29.716 29.460 -0.129 0.000 1.233 215 W HN 0.322 nan 8.180 nan 0.000 0.447 216 V N 2.715 122.688 119.914 0.099 0.000 3.155 216 V HA 0.605 4.721 4.120 -0.006 0.000 0.313 216 V C -0.197 175.880 176.094 -0.029 0.000 1.162 216 V CA -0.976 61.308 62.300 -0.028 0.000 1.048 216 V CB 1.914 33.747 31.823 0.017 0.000 1.092 216 V HN 0.481 nan 8.190 nan 0.000 0.447 217 D N 0.276 120.661 120.400 -0.025 0.000 2.708 217 D HA -0.144 4.493 4.640 -0.006 0.000 0.236 217 D C 0.561 176.867 176.300 0.010 0.000 1.146 217 D CA 1.531 55.536 54.000 0.008 0.000 0.662 217 D CB -1.739 39.089 40.800 0.046 0.000 1.059 217 D HN 1.324 nan 8.370 nan 0.000 0.428 218 T N -3.110 111.401 114.554 -0.071 0.000 2.874 218 T HA 0.517 4.863 4.350 -0.006 0.000 0.281 218 T C 0.381 175.108 174.700 0.045 0.000 0.994 218 T CA -0.764 61.301 62.100 -0.058 0.000 1.015 218 T CB 2.056 70.722 68.868 -0.336 0.000 1.028 218 T HN 0.047 nan 8.240 nan 0.000 0.523 219 Q N 0.576 120.459 119.800 0.139 0.000 2.256 219 Q HA 0.605 4.941 4.340 -0.006 0.000 0.257 219 Q C -0.937 175.113 176.000 0.083 0.000 0.936 219 Q CA -0.942 54.948 55.803 0.146 0.000 0.903 219 Q CB 2.027 30.926 28.738 0.268 0.000 1.263 219 Q HN 0.537 nan 8.270 nan 0.000 0.440 220 V N 2.655 122.565 119.914 -0.005 0.000 2.472 220 V HA 0.469 4.586 4.120 -0.006 0.000 0.290 220 V C -0.368 175.748 176.094 0.038 0.000 1.037 220 V CA -0.663 61.563 62.300 -0.123 0.000 0.908 220 V CB 1.752 33.442 31.823 -0.221 0.000 0.985 220 V HN 0.491 nan 8.190 nan 0.000 0.454 221 V N 5.533 125.502 119.914 0.091 0.000 2.588 221 V HA 0.479 4.595 4.120 -0.006 0.000 0.304 221 V C -0.283 175.914 176.094 0.171 0.000 1.042 221 V CA -0.589 61.829 62.300 0.197 0.000 0.877 221 V CB 1.936 33.986 31.823 0.377 0.000 0.996 221 V HN 0.634 nan 8.190 nan 0.000 0.425 222 L N 3.597 124.924 121.223 0.174 0.000 2.334 222 L HA 0.760 5.096 4.340 -0.006 0.000 0.277 222 L C 0.439 177.497 176.870 0.312 0.000 1.075 222 L CA -0.395 54.540 54.840 0.158 0.000 0.804 222 L CB 1.490 43.621 42.059 0.120 0.000 1.174 222 L HN 0.760 nan 8.230 nan 0.000 0.438 223 A N 5.213 128.137 122.820 0.174 0.000 2.267 223 A HA 0.554 4.870 4.320 -0.006 0.000 0.315 223 A C -0.454 177.367 177.584 0.395 0.000 1.297 223 A CA -0.470 51.673 52.037 0.176 0.000 0.865 223 A CB 0.843 19.419 19.000 -0.707 0.000 1.165 223 A HN 0.786 nan 8.150 nan 0.000 0.513 224 M N 6.051 125.962 119.600 0.518 0.000 2.113 224 M HA 0.449 4.925 4.480 -0.006 0.000 0.352 224 M C -2.590 173.999 176.300 0.482 0.000 1.170 224 M CA -2.101 53.457 55.300 0.430 0.000 1.053 224 M CB 1.881 34.653 32.600 0.287 0.000 1.601 224 M HN 0.344 nan 8.290 nan 0.000 0.459 225 P HA 0.264 nan 4.420 nan 0.000 0.286 225 P C -1.951 175.314 177.300 -0.058 0.000 1.261 225 P CA -0.028 63.025 63.100 -0.077 0.000 0.821 225 P CB 0.588 32.013 31.700 -0.458 0.000 1.013 226 Y N 0.490 120.738 120.300 -0.087 0.000 2.338 226 Y HA 0.321 4.867 4.550 -0.006 0.000 0.333 226 Y C 0.060 175.953 175.900 -0.011 0.000 0.968 226 Y CA -0.293 57.811 58.100 0.007 0.000 1.123 226 Y CB 1.484 39.978 38.460 0.057 0.000 1.165 226 Y HN 0.218 nan 8.280 nan 0.000 0.452 227 D N 1.959 122.478 120.400 0.198 0.000 2.193 227 D HA 0.416 5.052 4.640 -0.006 0.000 0.244 227 D C -0.607 175.954 176.300 0.434 0.000 1.064 227 D CA -0.232 53.924 54.000 0.260 0.000 0.845 227 D CB 1.790 42.754 40.800 0.274 0.000 1.148 227 D HN 0.360 nan 8.370 nan 0.000 0.464 228 T N 3.029 117.745 114.554 0.270 0.000 2.807 228 T HA 0.478 4.824 4.350 -0.006 0.000 0.279 228 T C -2.530 172.048 174.700 -0.204 0.000 0.993 228 T CA -1.519 60.633 62.100 0.087 0.000 0.970 228 T CB 1.995 70.897 68.868 0.057 0.000 0.950 228 T HN 0.159 nan 8.240 nan 0.000 0.441 229 P HA 0.306 nan 4.420 nan 0.000 0.275 229 P C -0.999 176.000 177.300 -0.503 0.000 1.227 229 P CA -0.383 62.049 63.100 -1.113 0.000 0.781 229 P CB 0.729 31.518 31.700 -1.519 0.000 0.906 230 V N 5.312 125.006 119.914 -0.367 0.000 2.305 230 V HA 0.272 4.388 4.120 -0.006 0.000 0.275 230 V C -2.122 173.872 176.094 -0.166 0.000 1.020 230 V CA -1.892 60.283 62.300 -0.208 0.000 0.811 230 V CB 1.400 33.149 31.823 -0.123 0.000 1.031 230 V HN 0.536 nan 8.190 nan 0.000 0.439 231 P HA 0.294 nan 4.420 nan 0.000 0.286 231 P C 0.357 177.627 177.300 -0.051 0.000 1.269 231 P CA 0.275 63.310 63.100 -0.109 0.000 0.787 231 P CB 1.662 33.289 31.700 -0.122 0.000 0.920 232 G N 2.451 111.237 108.800 -0.023 0.000 2.599 232 G HA2 0.123 4.079 3.960 -0.006 0.000 0.264 232 G HA3 0.123 4.079 3.960 -0.006 0.000 0.264 232 G C -1.122 173.804 174.900 0.043 0.000 1.200 232 G CA -0.423 44.690 45.100 0.021 0.000 0.896 232 G HN 0.461 nan 8.290 nan 0.000 0.536 233 Y N 1.790 122.063 120.300 -0.045 0.000 2.624 233 Y HA 0.175 4.721 4.550 -0.007 0.000 0.354 233 Y C 1.553 177.424 175.900 -0.048 0.000 1.051 233 Y CA -0.292 57.775 58.100 -0.054 0.000 1.377 233 Y CB -0.235 38.190 38.460 -0.057 0.000 1.168 233 Y HN 0.686 nan 8.280 nan 0.000 0.525 234 R N 2.850 123.072 120.500 -0.462 0.000 3.610 234 R HA -0.341 3.995 4.340 -0.006 0.000 0.274 234 R C 0.024 176.202 176.300 -0.202 0.000 1.123 234 R CA 1.314 57.172 56.100 -0.404 0.000 0.747 234 R CB -2.451 27.463 30.300 -0.644 0.000 1.149 234 R HN 0.937 nan 8.270 nan 0.000 0.471 235 N N -0.311 118.321 118.700 -0.114 0.000 2.187 235 N HA 0.027 4.763 4.740 -0.006 0.000 0.212 235 N C -0.133 175.341 175.510 -0.060 0.000 1.152 235 N CA -0.493 52.519 53.050 -0.064 0.000 0.872 235 N CB 0.429 38.903 38.487 -0.022 0.000 1.025 235 N HN 0.071 nan 8.380 nan 0.000 0.514 236 N N -0.134 118.526 118.700 -0.067 0.000 2.782 236 N HA -0.126 4.610 4.740 -0.006 0.000 0.251 236 N C -1.149 174.333 175.510 -0.045 0.000 1.101 236 N CA 0.512 53.530 53.050 -0.053 0.000 0.764 236 N CB -1.344 37.110 38.487 -0.055 0.000 1.122 236 N HN 0.185 nan 8.380 nan 0.000 0.561 237 V N 0.871 120.764 119.914 -0.035 0.000 2.427 237 V HA 0.541 4.657 4.120 -0.006 0.000 0.286 237 V C 0.525 176.610 176.094 -0.014 0.000 1.034 237 V CA -0.565 61.725 62.300 -0.017 0.000 0.893 237 V CB 2.288 34.123 31.823 0.020 0.000 0.982 237 V HN -0.052 nan 8.190 nan 0.000 0.452 238 V N 5.164 125.080 119.914 0.004 0.000 2.462 238 V HA 0.430 4.546 4.120 -0.006 0.000 0.288 238 V C -0.169 175.963 176.094 0.064 0.000 1.020 238 V CA -0.801 61.484 62.300 -0.025 0.000 0.857 238 V CB 1.480 33.272 31.823 -0.051 0.000 1.013 238 V HN 0.848 nan 8.190 nan 0.000 0.431 239 N N 1.892 120.604 118.700 0.020 0.000 2.476 239 N HA 0.593 5.329 4.740 -0.006 0.000 0.287 239 N C -0.036 175.527 175.510 0.089 0.000 1.262 239 N CA -0.273 52.819 53.050 0.070 0.000 0.980 239 N CB 1.196 39.669 38.487 -0.024 0.000 1.163 239 N HN 0.575 nan 8.380 nan 0.000 0.592 240 T N 0.677 115.299 114.554 0.114 0.000 2.876 240 T HA 0.422 4.769 4.350 -0.006 0.000 0.289 240 T C -0.446 174.264 174.700 0.016 0.000 1.014 240 T CA -0.522 61.699 62.100 0.202 0.000 0.986 240 T CB 1.256 70.367 68.868 0.405 0.000 1.021 240 T HN 0.290 nan 8.240 nan 0.000 0.458 241 M N 3.471 123.038 119.600 -0.055 0.000 2.114 241 M HA 0.513 4.989 4.480 -0.006 0.000 0.332 241 M C -0.593 175.558 176.300 -0.248 0.000 1.014 241 M CA -0.771 54.389 55.300 -0.234 0.000 0.956 241 M CB 0.792 33.207 32.600 -0.309 0.000 1.551 241 M HN 0.495 nan 8.290 nan 0.000 0.427 242 R N 5.921 126.140 120.500 -0.468 0.000 2.265 242 R HA 0.598 4.934 4.340 -0.006 0.000 0.328 242 R C -1.906 174.063 176.300 -0.551 0.000 0.969 242 R CA -0.399 55.353 56.100 -0.579 0.000 0.832 242 R CB 0.810 30.514 30.300 -0.993 0.000 1.139 242 R HN 0.801 nan 8.270 nan 0.000 0.457 243 L N 5.352 126.381 121.223 -0.323 0.000 2.313 243 L HA 0.475 4.811 4.340 -0.006 0.000 0.283 243 L C -0.742 176.087 176.870 -0.067 0.000 1.013 243 L CA -0.901 53.856 54.840 -0.138 0.000 0.816 243 L CB 1.331 43.403 42.059 0.022 0.000 1.236 243 L HN 0.595 nan 8.230 nan 0.000 0.419 244 W N 2.030 123.445 121.300 0.191 0.000 2.315 244 W HA 0.423 5.079 4.660 -0.006 0.000 0.316 244 W C 0.588 177.354 176.519 0.411 0.000 1.211 244 W CA -0.219 57.261 57.345 0.225 0.000 1.201 244 W CB 1.316 30.734 29.460 -0.069 0.000 1.184 244 W HN 0.349 nan 8.180 nan 0.000 0.544 245 S N 2.040 118.172 115.700 0.721 0.000 2.473 245 S HA 0.734 5.200 4.470 -0.006 0.000 0.307 245 S C -0.350 174.622 174.600 0.620 0.000 1.094 245 S CA -0.723 57.809 58.200 0.553 0.000 1.070 245 S CB 0.482 63.964 63.200 0.469 0.000 1.019 245 S HN 0.535 nan 8.310 nan 0.000 0.480 246 A N 5.046 128.079 122.820 0.357 0.000 2.409 246 A HA 0.657 4.974 4.320 -0.006 0.000 0.262 246 A C -0.256 177.434 177.584 0.176 0.000 1.113 246 A CA -0.185 51.956 52.037 0.174 0.000 0.790 246 A CB 0.256 19.068 19.000 -0.314 0.000 1.046 246 A HN 0.643 nan 8.150 nan 0.000 0.496 247 K N 0.958 121.478 120.400 0.200 0.000 2.422 247 K HA 0.643 4.960 4.320 -0.006 0.000 0.251 247 K C -0.266 176.399 176.600 0.108 0.000 0.933 247 K CA -0.433 55.939 56.287 0.142 0.000 0.798 247 K CB 2.065 34.658 32.500 0.155 0.000 1.238 247 K HN 0.817 nan 8.250 nan 0.000 0.428 248 A N 3.681 126.545 122.820 0.073 0.000 2.407 248 A HA 0.454 4.770 4.320 -0.006 0.000 0.248 248 A C -1.971 175.645 177.584 0.053 0.000 1.082 248 A CA -0.808 51.263 52.037 0.056 0.000 0.785 248 A CB -0.526 18.495 19.000 0.035 0.000 1.020 248 A HN 0.404 nan 8.150 nan 0.000 0.489 249 P HA 0.123 nan 4.420 nan 0.000 0.272 249 P C -0.500 176.817 177.300 0.029 0.000 1.240 249 P CA -0.440 62.679 63.100 0.031 0.000 0.791 249 P CB 0.281 31.990 31.700 0.015 0.000 0.978 262 Y N 0.838 121.139 120.300 0.002 0.000 2.145 262 Y HA -0.038 4.508 4.550 -0.006 0.000 0.286 262 Y C 2.689 178.592 175.900 0.004 0.000 1.145 262 Y CA 2.282 60.384 58.100 0.003 0.000 1.148 262 Y CB -0.075 38.387 38.460 0.003 0.000 0.981 262 Y HN 0.226 nan 8.280 nan 0.000 0.507 263 I N 0.470 120.964 120.570 -0.126 0.000 2.127 263 I HA -0.298 3.868 4.170 -0.006 0.000 0.241 263 I C 2.391 178.397 176.117 -0.184 0.000 1.075 263 I CA 1.714 62.888 61.300 -0.211 0.000 1.334 263 I CB -1.489 36.497 38.000 -0.024 0.000 1.040 263 I HN 0.320 nan 8.210 nan 0.000 0.405 264 Q N 1.116 120.860 119.800 -0.092 0.000 2.096 264 Q HA -0.134 4.202 4.340 -0.006 0.000 0.204 264 Q C 2.229 178.174 176.000 -0.091 0.000 0.982 264 Q CA 2.316 58.078 55.803 -0.070 0.000 0.850 264 Q CB -0.464 28.254 28.738 -0.033 0.000 0.901 264 Q HN 0.489 nan 8.270 nan 0.000 0.422 265 A N -0.918 121.836 122.820 -0.111 0.000 1.933 265 A HA -0.127 4.189 4.320 -0.006 0.000 0.218 265 A C 2.240 179.738 177.584 -0.143 0.000 1.175 265 A CA 1.668 53.644 52.037 -0.102 0.000 0.628 265 A CB -0.611 18.345 19.000 -0.074 0.000 0.814 265 A HN 0.264 nan 8.150 nan 0.000 0.444 266 V N 0.020 119.782 119.914 -0.252 0.000 2.407 266 V HA -0.175 3.941 4.120 -0.006 0.000 0.245 266 V C 2.502 178.519 176.094 -0.129 0.000 1.041 266 V CA 1.543 63.706 62.300 -0.228 0.000 1.040 266 V CB -0.676 30.929 31.823 -0.363 0.000 0.671 266 V HN 0.555 nan 8.190 nan 0.000 0.455 267 L N -0.105 121.047 121.223 -0.118 0.000 2.046 267 L HA -0.184 4.152 4.340 -0.006 0.000 0.208 267 L C 2.085 178.927 176.870 -0.046 0.000 1.077 267 L CA 1.487 56.286 54.840 -0.068 0.000 0.747 267 L CB -0.784 41.241 42.059 -0.057 0.000 0.896 267 L HN 0.331 nan 8.230 nan 0.000 0.432 268 D N 0.013 120.384 120.400 -0.049 0.000 2.403 268 D HA -0.113 4.524 4.640 -0.006 0.000 0.227 268 D C 2.088 178.375 176.300 -0.021 0.000 0.995 268 D CA 0.570 54.552 54.000 -0.030 0.000 0.928 268 D CB -0.092 40.690 40.800 -0.030 0.000 0.887 268 D HN 0.210 nan 8.370 nan 0.000 0.529 269 R N 0.203 120.689 120.500 -0.024 0.000 2.237 269 R HA -0.023 4.313 4.340 -0.006 0.000 0.219 269 R C 1.481 177.783 176.300 0.003 0.000 1.080 269 R CA 0.454 56.549 56.100 -0.008 0.000 0.995 269 R CB 0.057 30.351 30.300 -0.010 0.000 0.875 269 R HN 0.154 nan 8.270 nan 0.000 0.462 270 N N 0.805 119.505 118.700 0.000 0.000 2.223 270 N HA -0.140 4.597 4.740 -0.006 0.000 0.185 270 N C 1.736 177.249 175.510 0.006 0.000 1.016 270 N CA 0.994 54.050 53.050 0.009 0.000 0.863 270 N CB -0.158 38.334 38.487 0.008 0.000 0.983 270 N HN 0.230 nan 8.380 nan 0.000 0.429 271 L N 0.651 121.873 121.223 -0.000 0.000 2.012 271 L HA -0.172 4.164 4.340 -0.006 0.000 0.210 271 L C 2.409 179.271 176.870 -0.013 0.000 1.073 271 L CA 1.550 56.388 54.840 -0.004 0.000 0.748 271 L CB -0.598 41.459 42.059 -0.004 0.000 0.891 271 L HN 0.145 nan 8.230 nan 0.000 0.431 272 A N -0.352 122.465 122.820 -0.005 0.000 1.968 272 A HA -0.153 4.163 4.320 -0.006 0.000 0.217 272 A C 2.070 179.633 177.584 -0.035 0.000 1.169 272 A CA 1.196 53.225 52.037 -0.013 0.000 0.638 272 A CB -0.343 18.674 19.000 0.029 0.000 0.812 272 A HN 0.467 nan 8.150 nan 0.000 0.446 273 E N 0.106 120.301 120.200 -0.008 0.000 2.427 273 E HA -0.077 4.269 4.350 -0.006 0.000 0.196 273 E C 0.982 177.579 176.600 -0.005 0.000 1.028 273 E CA 0.205 56.605 56.400 -0.000 0.000 0.864 273 E CB -0.106 29.614 29.700 0.034 0.000 0.813 273 E HN 0.456 nan 8.360 nan 0.000 0.514 274 N N 0.916 119.612 118.700 -0.008 0.000 2.453 274 N HA -0.065 4.671 4.740 -0.006 0.000 0.183 274 N C 1.598 177.110 175.510 0.003 0.000 1.041 274 N CA 0.564 53.623 53.050 0.016 0.000 0.900 274 N CB 0.016 38.510 38.487 0.012 0.000 0.961 274 N HN 0.256 nan 8.380 nan 0.000 0.443 275 I N 0.391 120.908 120.570 -0.089 0.000 2.264 275 I HA -0.236 3.930 4.170 -0.006 0.000 0.248 275 I C 1.285 177.364 176.117 -0.063 0.000 1.111 275 I CA 1.203 62.415 61.300 -0.147 0.000 1.382 275 I CB -0.167 37.587 38.000 -0.411 0.000 1.060 275 I HN 0.124 nan 8.210 nan 0.000 0.418 276 S N -0.616 115.052 115.700 -0.053 0.000 2.574 276 S HA 0.208 4.674 4.470 -0.006 0.000 0.242 276 S C 1.382 176.118 174.600 0.227 0.000 0.982 276 S CA -0.611 57.647 58.200 0.096 0.000 0.977 276 S CB 0.316 63.559 63.200 0.070 0.000 0.814 276 S HN 0.207 nan 8.310 nan 0.000 0.464 277 R N 1.079 121.712 120.500 0.221 0.000 2.075 277 R HA 0.317 4.653 4.340 -0.006 0.000 0.226 277 R C 0.371 176.915 176.300 0.406 0.000 1.114 277 R CA 1.076 57.349 56.100 0.287 0.000 0.972 277 R CB -0.115 30.322 30.300 0.229 0.000 0.869 277 R HN 0.400 nan 8.270 nan 0.000 0.437 278 V N 0.242 120.339 119.914 0.305 0.000 3.012 278 V HA 0.354 4.470 4.120 -0.006 0.000 0.307 278 V C -1.668 174.343 176.094 -0.138 0.000 1.166 278 V CA -1.371 61.024 62.300 0.159 0.000 0.974 278 V CB 1.813 33.672 31.823 0.060 0.000 1.040 278 V HN 0.144 nan 8.190 nan 0.000 0.428 279 L N 6.351 127.262 121.223 -0.521 0.000 2.360 279 L HA 0.477 4.813 4.340 -0.006 0.000 0.276 279 L C -0.856 175.831 176.870 -0.306 0.000 1.121 279 L CA 0.446 54.785 54.840 -0.835 0.000 0.845 279 L CB 0.484 41.993 42.059 -0.917 0.000 1.143 279 L HN 0.681 nan 8.230 nan 0.000 0.452 280 Y N 6.952 127.167 120.300 -0.141 0.000 2.569 280 Y HA 0.194 4.741 4.550 -0.006 0.000 0.332 280 Y C -1.390 174.509 175.900 -0.003 0.000 1.120 280 Y CA -1.169 56.921 58.100 -0.016 0.000 1.416 280 Y CB 0.423 38.901 38.460 0.029 0.000 1.210 280 Y HN 0.573 nan 8.280 nan 0.000 0.528 281 P HA 0.011 nan 4.420 nan 0.000 0.243 281 P C -0.903 176.531 177.300 0.223 0.000 1.668 281 P CA 0.170 63.379 63.100 0.182 0.000 0.898 281 P CB 0.031 31.919 31.700 0.313 0.000 1.637 282 N N 1.180 120.021 118.700 0.234 0.000 2.430 282 N HA 0.202 4.938 4.740 -0.006 0.000 0.292 282 N C -0.795 174.871 175.510 0.259 0.000 1.051 282 N CA -0.018 53.191 53.050 0.265 0.000 0.917 282 N CB 1.443 40.141 38.487 0.352 0.000 1.164 282 N HN 0.075 nan 8.380 nan 0.000 0.484 283 D N 0.372 120.944 120.400 0.287 0.000 2.408 283 D HA 0.228 4.865 4.640 -0.006 0.000 0.243 283 D C -0.451 176.162 176.300 0.522 0.000 1.075 283 D CA -0.337 53.867 54.000 0.340 0.000 0.832 283 D CB 0.289 41.279 40.800 0.318 0.000 1.162 283 D HN 0.532 nan 8.370 nan 0.000 0.515 284 N N 2.943 121.890 118.700 0.411 0.000 2.738 284 N HA -0.241 4.495 4.740 -0.006 0.000 0.249 284 N C -1.545 174.245 175.510 0.467 0.000 1.047 284 N CA 0.308 53.582 53.050 0.373 0.000 0.707 284 N CB -0.668 38.001 38.487 0.303 0.000 0.937 284 N HN 0.328 nan 8.380 nan 0.000 0.545 285 F N 1.079 121.156 119.950 0.213 0.000 2.639 285 F HA 0.401 4.925 4.527 -0.006 0.000 0.326 285 F C -1.616 174.275 175.800 0.151 0.000 1.150 285 F CA -1.062 57.027 58.000 0.149 0.000 1.057 285 F CB 0.774 39.820 39.000 0.076 0.000 1.300 285 F HN -0.039 nan 8.300 nan 0.000 0.486 286 F N 6.023 125.569 119.950 -0.674 0.000 2.410 286 F HA 0.506 5.029 4.527 -0.006 0.000 0.349 286 F C -0.495 174.834 175.800 -0.785 0.000 1.117 286 F CA -0.361 57.293 58.000 -0.577 0.000 1.104 286 F CB 0.926 39.639 39.000 -0.479 0.000 1.122 286 F HN 0.591 nan 8.300 nan 0.000 0.483 287 E N 4.006 123.552 120.200 -1.089 0.000 2.141 287 E HA 0.359 4.705 4.350 -0.006 0.000 0.259 287 E C 0.077 175.925 176.600 -1.253 0.000 0.883 287 E CA -0.637 55.224 56.400 -0.899 0.000 0.744 287 E CB 0.973 30.506 29.700 -0.278 0.000 1.150 287 E HN 0.940 nan 8.360 nan 0.000 0.420 288 G N 5.241 113.193 108.800 -1.413 0.000 3.353 288 G HA2 -0.014 3.943 3.960 -0.006 0.000 0.247 288 G HA3 -0.014 3.943 3.960 -0.006 0.000 0.247 288 G C 0.128 174.964 174.900 -0.107 0.000 1.025 288 G CA -0.175 44.337 45.100 -0.980 0.000 1.863 288 G HN 0.222 nan 8.290 nan 0.000 0.635 289 K N 0.554 120.905 120.400 -0.082 0.000 2.249 289 K HA 0.107 4.423 4.320 -0.006 0.000 0.280 289 K C 1.113 177.811 176.600 0.163 0.000 1.033 289 K CA -0.411 55.909 56.287 0.054 0.000 0.946 289 K CB 1.873 34.377 32.500 0.007 0.000 1.005 289 K HN 0.479 nan 8.250 nan 0.000 0.469 290 E N 2.249 122.525 120.200 0.127 0.000 2.118 290 E HA -0.223 4.123 4.350 -0.006 0.000 0.195 290 E C 1.511 178.113 176.600 0.003 0.000 0.992 290 E CA 0.975 57.401 56.400 0.043 0.000 0.804 290 E CB 0.153 29.886 29.700 0.055 0.000 0.741 290 E HN 0.417 nan 8.360 nan 0.000 0.458 291 L N 1.298 122.569 121.223 0.081 0.000 2.083 291 L HA -0.159 4.177 4.340 -0.006 0.000 0.209 291 L C 2.429 179.385 176.870 0.143 0.000 1.083 291 L CA 1.837 56.748 54.840 0.118 0.000 0.752 291 L CB -0.543 41.665 42.059 0.249 0.000 0.899 291 L HN 0.024 nan 8.230 nan 0.000 0.433 292 R N -0.578 119.963 120.500 0.068 0.000 2.075 292 R HA -0.141 4.195 4.340 -0.006 0.000 0.232 292 R C 2.100 178.440 176.300 0.068 0.000 1.126 292 R CA 1.791 57.894 56.100 0.005 0.000 0.963 292 R CB -1.050 29.061 30.300 -0.315 0.000 0.858 292 R HN 0.401 nan 8.270 nan 0.000 0.435 293 L N 0.891 122.048 121.223 -0.109 0.000 2.083 293 L HA -0.074 4.262 4.340 -0.006 0.000 0.209 293 L C 1.732 178.535 176.870 -0.112 0.000 1.083 293 L CA 1.907 56.489 54.840 -0.430 0.000 0.752 293 L CB -0.415 41.108 42.059 -0.893 0.000 0.899 293 L HN 0.164 nan 8.230 nan 0.000 0.433 294 K N -1.027 119.342 120.400 -0.053 0.000 2.057 294 K HA -0.192 4.124 4.320 -0.006 0.000 0.207 294 K C 2.087 178.832 176.600 0.242 0.000 1.049 294 K CA 1.809 58.116 56.287 0.033 0.000 0.931 294 K CB -0.192 32.137 32.500 -0.286 0.000 0.714 294 K HN 0.486 nan 8.250 nan 0.000 0.440 295 Q N 0.612 120.525 119.800 0.190 0.000 2.096 295 Q HA -0.215 4.121 4.340 -0.006 0.000 0.204 295 Q C 1.988 178.188 176.000 0.334 0.000 0.982 295 Q CA 1.584 57.558 55.803 0.284 0.000 0.850 295 Q CB -0.070 28.860 28.738 0.320 0.000 0.901 295 Q HN 0.389 nan 8.270 nan 0.000 0.422 296 E N -0.161 120.191 120.200 0.253 0.000 2.051 296 E HA -0.215 4.131 4.350 -0.006 0.000 0.192 296 E C 1.794 178.520 176.600 0.210 0.000 0.991 296 E CA 1.106 57.641 56.400 0.225 0.000 0.799 296 E CB -0.189 29.619 29.700 0.181 0.000 0.748 296 E HN 0.323 nan 8.360 nan 0.000 0.449 297 Y N 0.564 120.919 120.300 0.091 0.000 2.242 297 Y HA -0.234 4.313 4.550 -0.006 0.000 0.291 297 Y C 1.978 177.930 175.900 0.087 0.000 1.137 297 Y CA 1.078 59.191 58.100 0.023 0.000 1.181 297 Y CB -0.413 38.038 38.460 -0.016 0.000 0.989 297 Y HN 0.021 nan 8.280 nan 0.000 0.527 298 F N -0.086 119.876 119.950 0.019 0.000 2.043 298 F HA -0.295 4.228 4.527 -0.006 0.000 0.297 298 F C 2.244 177.906 175.800 -0.229 0.000 1.121 298 F CA 2.288 60.246 58.000 -0.070 0.000 1.199 298 F CB -0.996 38.103 39.000 0.165 0.000 0.968 298 F HN -0.124 nan 8.300 nan 0.000 0.478 299 V N -0.323 119.595 119.914 0.007 0.000 2.287 299 V HA -0.320 3.796 4.120 -0.006 0.000 0.248 299 V C 2.436 178.426 176.094 -0.174 0.000 1.053 299 V CA 1.726 64.011 62.300 -0.025 0.000 1.027 299 V CB -0.925 31.047 31.823 0.248 0.000 0.646 299 V HN 0.325 nan 8.190 nan 0.000 0.447 300 V N 0.086 119.897 119.914 -0.171 0.000 2.261 300 V HA -0.265 3.851 4.120 -0.006 0.000 0.246 300 V C 2.705 178.567 176.094 -0.387 0.000 1.047 300 V CA 2.160 64.335 62.300 -0.208 0.000 1.015 300 V CB -1.090 30.665 31.823 -0.113 0.000 0.642 300 V HN 0.567 nan 8.190 nan 0.000 0.446 301 A N -0.192 122.220 122.820 -0.680 0.000 1.877 301 A HA -0.147 4.169 4.320 -0.006 0.000 0.216 301 A C 2.399 179.639 177.584 -0.573 0.000 1.186 301 A CA 2.317 53.950 52.037 -0.674 0.000 0.620 301 A CB -0.853 17.529 19.000 -1.030 0.000 0.822 301 A HN 0.586 nan 8.150 nan 0.000 0.443 302 A N -1.199 121.125 122.820 -0.826 0.000 1.873 302 A HA -0.052 4.264 4.320 -0.006 0.000 0.215 302 A C 2.315 179.498 177.584 -0.669 0.000 1.186 302 A CA 2.245 53.627 52.037 -1.091 0.000 0.616 302 A CB -1.320 16.316 19.000 -2.273 0.000 0.823 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.348 114.650 114.554 -0.420 0.000 2.684 303 T HA -0.143 4.203 4.350 -0.006 0.000 0.267 303 T C 1.689 176.153 174.700 -0.393 0.000 1.036 303 T CA 1.693 63.647 62.100 -0.242 0.000 1.148 303 T CB -0.354 68.363 68.868 -0.252 0.000 0.863 303 T HN 0.212 nan 8.240 nan 0.000 0.436 304 L N 0.947 121.977 121.223 -0.322 0.000 2.275 304 L HA -0.020 4.316 4.340 -0.006 0.000 0.215 304 L C 2.573 179.331 176.870 -0.186 0.000 1.119 304 L CA 1.453 56.140 54.840 -0.255 0.000 0.790 304 L CB -0.651 41.303 42.059 -0.177 0.000 0.919 304 L HN 0.297 nan 8.230 nan 0.000 0.443 305 Q N -1.002 118.689 119.800 -0.181 0.000 2.083 305 Q HA -0.188 4.148 4.340 -0.006 0.000 0.198 305 Q C 1.706 177.670 176.000 -0.059 0.000 0.969 305 Q CA 1.331 57.073 55.803 -0.101 0.000 0.838 305 Q CB -0.008 28.659 28.738 -0.118 0.000 0.900 305 Q HN 0.413 nan 8.270 nan 0.000 0.436 306 D N 0.581 120.944 120.400 -0.061 0.000 2.097 306 D HA -0.129 4.507 4.640 -0.006 0.000 0.195 306 D C 1.730 177.960 176.300 -0.118 0.000 0.989 306 D CA 0.969 54.961 54.000 -0.014 0.000 0.827 306 D CB -0.066 40.809 40.800 0.125 0.000 0.966 306 D HN 0.197 nan 8.370 nan 0.000 0.456 307 I N 0.606 120.990 120.570 -0.310 0.000 2.179 307 I HA -0.234 3.933 4.170 -0.006 0.000 0.242 307 I C 2.199 178.320 176.117 0.008 0.000 1.088 307 I CA 0.585 61.646 61.300 -0.399 0.000 1.357 307 I CB -0.109 37.487 38.000 -0.672 0.000 1.051 307 I HN 0.039 nan 8.210 nan 0.000 0.409 308 I N 0.590 121.216 120.570 0.094 0.000 2.252 308 I HA -0.268 3.898 4.170 -0.006 0.000 0.245 308 I C 2.687 178.951 176.117 0.245 0.000 1.102 308 I CA 1.432 62.899 61.300 0.278 0.000 1.385 308 I CB -1.166 36.947 38.000 0.188 0.000 1.064 308 I HN 0.334 nan 8.210 nan 0.000 0.414 309 R N 1.264 121.834 120.500 0.117 0.000 2.080 309 R HA -0.166 4.170 4.340 -0.006 0.000 0.236 309 R C 2.498 178.846 176.300 0.080 0.000 1.137 309 R CA 1.472 57.620 56.100 0.080 0.000 0.943 309 R CB -0.156 30.161 30.300 0.029 0.000 0.846 309 R HN 0.240 nan 8.270 nan 0.000 0.431 310 R N -0.475 120.073 120.500 0.079 0.000 2.091 310 R HA -0.184 4.152 4.340 -0.006 0.000 0.238 310 R C 2.267 178.641 176.300 0.124 0.000 1.136 310 R CA 1.768 57.923 56.100 0.091 0.000 0.959 310 R CB -0.583 29.774 30.300 0.094 0.000 0.856 310 R HN 0.276 nan 8.270 nan 0.000 0.437 311 F N 2.282 122.257 119.950 0.042 0.000 2.095 311 F HA -0.207 4.316 4.527 -0.006 0.000 0.298 311 F C 1.951 177.745 175.800 -0.010 0.000 1.104 311 F CA 1.605 59.623 58.000 0.030 0.000 1.232 311 F CB -0.104 38.982 39.000 0.142 0.000 0.987 311 F HN -0.181 nan 8.300 nan 0.000 0.475 312 K N -0.296 120.036 120.400 -0.113 0.000 2.209 312 K HA -0.064 4.252 4.320 -0.006 0.000 0.204 312 K C 1.332 177.818 176.600 -0.191 0.000 1.048 312 K CA 1.376 57.525 56.287 -0.231 0.000 0.940 312 K CB -0.351 32.129 32.500 -0.034 0.000 0.729 312 K HN 0.215 nan 8.250 nan 0.000 0.451 313 S N 0.535 116.182 115.700 -0.088 0.000 2.573 313 S HA 0.054 4.520 4.470 -0.006 0.000 0.244 313 S C 1.137 175.730 174.600 -0.012 0.000 0.984 313 S CA -0.235 57.956 58.200 -0.015 0.000 1.001 313 S CB 0.365 63.608 63.200 0.071 0.000 0.788 313 S HN 0.289 nan 8.310 nan 0.000 0.456 314 S N 1.596 117.207 115.700 -0.149 0.000 2.460 314 S HA 0.304 4.770 4.470 -0.006 0.000 0.185 314 S C 0.769 175.245 174.600 -0.207 0.000 0.908 314 S CA -0.103 57.997 58.200 -0.166 0.000 0.894 314 S CB -0.151 62.948 63.200 -0.168 0.000 0.855 314 S HN 0.291 nan 8.310 nan 0.000 0.574 326 F N 2.619 122.746 119.950 0.295 0.000 2.494 326 F HA 0.051 4.574 4.527 -0.006 0.000 0.298 326 F C 1.644 177.503 175.800 0.098 0.000 1.106 326 F CA 0.955 59.039 58.000 0.141 0.000 1.452 326 F CB -0.275 38.688 39.000 -0.060 0.000 1.085 326 F HN 0.032 nan 8.300 nan 0.000 0.569 327 D N 0.018 120.561 120.400 0.238 0.000 2.178 327 D HA -0.109 4.528 4.640 -0.006 0.000 0.201 327 D C 2.180 178.573 176.300 0.154 0.000 0.980 327 D CA 1.296 55.391 54.000 0.159 0.000 0.842 327 D CB -0.208 40.662 40.800 0.117 0.000 0.948 327 D HN 0.247 nan 8.370 nan 0.000 0.472 328 A N -0.755 122.189 122.820 0.206 0.000 2.275 328 A HA 0.071 4.387 4.320 -0.006 0.000 0.212 328 A C 1.612 179.316 177.584 0.199 0.000 1.201 328 A CA -0.318 51.837 52.037 0.197 0.000 0.843 328 A CB -0.620 18.505 19.000 0.209 0.000 0.873 328 A HN 0.132 nan 8.150 nan 0.000 0.492 329 F N 2.185 122.068 119.950 -0.113 0.000 2.065 329 F HA -0.129 4.394 4.527 -0.006 0.000 0.298 329 F C -0.803 174.880 175.800 -0.196 0.000 1.112 329 F CA 2.422 60.127 58.000 -0.493 0.000 1.212 329 F CB -0.756 37.948 39.000 -0.494 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.089 nan 4.420 nan 0.000 0.223 330 P C 0.820 178.070 177.300 -0.084 0.000 1.151 330 P CA 1.496 64.551 63.100 -0.075 0.000 0.787 330 P CB -0.087 31.601 31.700 -0.020 0.000 0.788 331 D N -0.740 119.637 120.400 -0.038 0.000 2.277 331 D HA -0.049 4.587 4.640 -0.006 0.000 0.208 331 D C 1.562 177.848 176.300 -0.023 0.000 0.962 331 D CA 0.935 54.927 54.000 -0.014 0.000 0.865 331 D CB -0.007 40.806 40.800 0.021 0.000 0.939 331 D HN 0.130 nan 8.370 nan 0.000 0.510 332 K N -0.045 120.322 120.400 -0.054 0.000 2.380 332 K HA 0.213 4.530 4.320 -0.006 0.000 0.198 332 K C -0.102 176.419 176.600 -0.131 0.000 1.070 332 K CA 0.063 56.329 56.287 -0.035 0.000 1.040 332 K CB 2.152 34.733 32.500 0.135 0.000 0.903 332 K HN -0.044 nan 8.250 nan 0.000 0.549 333 V N 0.770 120.510 119.914 -0.290 0.000 2.760 333 V HA 0.639 4.755 4.120 -0.006 0.000 0.309 333 V C -1.198 174.805 176.094 -0.152 0.000 1.077 333 V CA -1.266 60.865 62.300 -0.282 0.000 0.910 333 V CB 1.929 33.282 31.823 -0.784 0.000 1.008 333 V HN 0.095 nan 8.190 nan 0.000 0.424 334 A N 5.353 128.154 122.820 -0.032 0.000 2.359 334 A HA 0.900 5.216 4.320 -0.006 0.000 0.303 334 A C -1.074 176.555 177.584 0.075 0.000 1.066 334 A CA -0.391 51.652 52.037 0.010 0.000 0.730 334 A CB 0.968 19.902 19.000 -0.110 0.000 1.211 334 A HN 0.758 nan 8.150 nan 0.000 0.439 335 I N 1.996 122.651 120.570 0.140 0.000 2.355 335 I HA 0.303 4.469 4.170 -0.006 0.000 0.288 335 I C -0.279 175.968 176.117 0.217 0.000 0.999 335 I CA -0.497 60.904 61.300 0.169 0.000 1.163 335 I CB 1.899 39.968 38.000 0.115 0.000 1.316 335 I HN 0.703 nan 8.210 nan 0.000 0.454 336 Q N 6.997 126.955 119.800 0.264 0.000 2.314 336 Q HA 0.509 4.845 4.340 -0.006 0.000 0.259 336 Q C -1.337 174.812 176.000 0.250 0.000 0.951 336 Q CA -0.309 55.720 55.803 0.377 0.000 0.909 336 Q CB 1.313 30.432 28.738 0.635 0.000 1.236 336 Q HN 0.558 nan 8.270 nan 0.000 0.444 337 L N 3.603 124.973 121.223 0.244 0.000 2.261 337 L HA 0.408 4.744 4.340 -0.006 0.000 0.289 337 L C 0.157 177.157 176.870 0.217 0.000 1.059 337 L CA -0.765 54.186 54.840 0.185 0.000 0.816 337 L CB 0.588 42.765 42.059 0.196 0.000 1.191 337 L HN 0.553 nan 8.230 nan 0.000 0.431 338 N N 3.585 122.321 118.700 0.060 0.000 2.549 338 N HA 0.076 4.812 4.740 -0.006 0.000 0.267 338 N C -0.165 175.381 175.510 0.060 0.000 1.182 338 N CA 0.511 53.621 53.050 0.100 0.000 1.019 338 N CB -0.241 38.143 38.487 -0.172 0.000 1.380 338 N HN 0.739 nan 8.380 nan 0.000 0.505 339 D N -0.687 119.872 120.400 0.265 0.000 4.199 339 D HA -0.249 4.387 4.640 -0.006 0.000 0.291 339 D C 0.468 176.871 176.300 0.172 0.000 2.213 339 D CA 1.868 56.005 54.000 0.228 0.000 1.174 339 D CB -0.499 40.151 40.800 -0.249 0.000 1.012 339 D HN 0.467 nan 8.370 nan 0.000 1.213 340 T N -3.026 111.553 114.554 0.041 0.000 3.148 340 T HA 0.078 4.424 4.350 -0.006 0.000 0.253 340 T C 1.506 176.283 174.700 0.127 0.000 1.134 340 T CA 1.510 63.609 62.100 -0.002 0.000 1.051 340 T CB -0.520 68.317 68.868 -0.052 0.000 0.959 340 T HN 0.519 nan 8.240 nan 0.000 0.525 341 H N 2.752 121.906 119.070 0.140 0.000 2.321 341 H HA -0.045 4.508 4.556 -0.006 0.000 0.295 341 H C -0.837 174.581 175.328 0.150 0.000 1.102 341 H CA 1.304 57.452 56.048 0.166 0.000 1.266 341 H CB -0.851 29.001 29.762 0.150 0.000 1.363 341 H HN 0.449 nan 8.280 nan 0.000 0.492 342 P HA 0.092 nan 4.420 nan 0.000 0.262 342 P C 0.656 178.011 177.300 0.093 0.000 1.651 342 P CA 0.341 63.532 63.100 0.150 0.000 1.119 342 P CB 0.390 32.168 31.700 0.130 0.000 1.552 343 S N -0.288 115.458 115.700 0.076 0.000 2.440 343 S HA -0.119 4.347 4.470 -0.006 0.000 0.238 343 S C 1.748 176.361 174.600 0.021 0.000 1.010 343 S CA 0.711 58.916 58.200 0.008 0.000 0.972 343 S CB -1.451 61.719 63.200 -0.049 0.000 0.774 343 S HN 0.150 nan 8.310 nan 0.000 0.501 344 L N 0.892 122.143 121.223 0.047 0.000 2.549 344 L HA 0.012 4.348 4.340 -0.006 0.000 0.230 344 L C 2.868 179.786 176.870 0.080 0.000 1.162 344 L CA 0.636 55.505 54.840 0.049 0.000 0.834 344 L CB -0.698 41.389 42.059 0.046 0.000 0.947 344 L HN 0.488 nan 8.230 nan 0.000 0.452 345 A N 0.305 123.155 122.820 0.051 0.000 2.019 345 A HA -0.170 4.146 4.320 -0.006 0.000 0.219 345 A C 2.160 179.760 177.584 0.027 0.000 1.164 345 A CA 1.323 53.378 52.037 0.030 0.000 0.644 345 A CB -0.387 18.623 19.000 0.016 0.000 0.805 345 A HN 0.362 nan 8.150 nan 0.000 0.449 346 I N 0.304 120.892 120.570 0.029 0.000 2.133 346 I HA -0.130 4.036 4.170 -0.006 0.000 0.238 346 I C -0.360 175.794 176.117 0.060 0.000 1.074 346 I CA 1.487 62.804 61.300 0.028 0.000 1.342 346 I CB -0.805 37.217 38.000 0.037 0.000 1.053 346 I HN 0.233 nan 8.210 nan 0.000 0.404 347 P HA -0.174 nan 4.420 nan 0.000 0.221 347 P C 1.290 178.613 177.300 0.039 0.000 1.150 347 P CA 1.484 64.627 63.100 0.072 0.000 0.800 347 P CB 0.023 31.784 31.700 0.103 0.000 0.787 348 E N 0.292 120.593 120.200 0.168 0.000 2.072 348 E HA -0.159 4.187 4.350 -0.006 0.000 0.191 348 E C 1.918 178.516 176.600 -0.003 0.000 0.985 348 E CA 0.743 57.261 56.400 0.197 0.000 0.801 348 E CB -1.227 28.639 29.700 0.276 0.000 0.750 348 E HN 0.022 nan 8.360 nan 0.000 0.452 349 L N -0.145 121.048 121.223 -0.049 0.000 2.056 349 L HA -0.063 4.273 4.340 -0.006 0.000 0.207 349 L C 2.092 178.828 176.870 -0.224 0.000 1.078 349 L CA 1.665 56.419 54.840 -0.144 0.000 0.749 349 L CB -0.478 41.502 42.059 -0.130 0.000 0.901 349 L HN 0.227 nan 8.230 nan 0.000 0.433 350 M N -0.816 118.667 119.600 -0.195 0.000 2.159 350 M HA -0.186 4.290 4.480 -0.006 0.000 0.263 350 M C 2.419 178.541 176.300 -0.295 0.000 1.063 350 M CA 1.427 56.550 55.300 -0.295 0.000 1.110 350 M CB -1.128 31.289 32.600 -0.305 0.000 1.374 350 M HN 0.335 nan 8.290 nan 0.000 0.411 351 R N -0.094 120.264 120.500 -0.238 0.000 2.073 351 R HA -0.120 4.216 4.340 -0.006 0.000 0.234 351 R C 2.089 178.278 176.300 -0.186 0.000 1.134 351 R CA 1.551 57.512 56.100 -0.232 0.000 0.952 351 R CB -0.177 29.935 30.300 -0.314 0.000 0.850 351 R HN 0.180 nan 8.270 nan 0.000 0.433 352 V N 1.583 121.390 119.914 -0.179 0.000 2.261 352 V HA -0.270 3.846 4.120 -0.006 0.000 0.246 352 V C 2.443 178.371 176.094 -0.278 0.000 1.047 352 V CA 1.829 64.018 62.300 -0.184 0.000 1.015 352 V CB -0.432 31.285 31.823 -0.177 0.000 0.642 352 V HN 0.361 nan 8.190 nan 0.000 0.446 353 L N -0.672 120.315 121.223 -0.394 0.000 2.083 353 L HA -0.157 4.180 4.340 -0.006 0.000 0.209 353 L C 2.328 178.985 176.870 -0.356 0.000 1.083 353 L CA 1.206 55.731 54.840 -0.525 0.000 0.752 353 L CB -0.583 41.122 42.059 -0.590 0.000 0.899 353 L HN 0.231 nan 8.230 nan 0.000 0.433 354 V N -0.792 118.962 119.914 -0.266 0.000 2.341 354 V HA -0.147 3.969 4.120 -0.006 0.000 0.240 354 V C 1.976 178.015 176.094 -0.092 0.000 1.035 354 V CA 1.492 63.698 62.300 -0.156 0.000 1.033 354 V CB -0.301 31.448 31.823 -0.123 0.000 0.678 354 V HN 0.307 nan 8.190 nan 0.000 0.464 355 D N 0.277 120.622 120.400 -0.092 0.000 2.117 355 D HA -0.059 4.577 4.640 -0.006 0.000 0.198 355 D C 2.023 178.289 176.300 -0.056 0.000 0.982 355 D CA 1.338 55.303 54.000 -0.058 0.000 0.828 355 D CB -0.011 40.752 40.800 -0.061 0.000 0.967 355 D HN 0.332 nan 8.370 nan 0.000 0.464 356 L N 0.102 121.277 121.223 -0.081 0.000 2.316 356 L HA 0.116 4.453 4.340 -0.006 0.000 0.207 356 L C 1.776 178.610 176.870 -0.060 0.000 1.070 356 L CA 0.510 55.313 54.840 -0.061 0.000 0.820 356 L CB 0.003 42.027 42.059 -0.057 0.000 0.992 356 L HN -0.180 nan 8.230 nan 0.000 0.466 357 E N 0.549 120.676 120.200 -0.122 0.000 2.474 357 E HA 0.054 4.401 4.350 -0.006 0.000 0.194 357 E C 0.084 176.639 176.600 -0.076 0.000 1.041 357 E CA -0.082 56.255 56.400 -0.105 0.000 0.874 357 E CB 0.340 29.851 29.700 -0.314 0.000 0.914 357 E HN 0.225 nan 8.360 nan 0.000 0.498 358 R N 0.275 120.728 120.500 -0.079 0.000 3.525 358 R HA -0.178 4.158 4.340 -0.006 0.000 0.276 358 R C -0.031 176.244 176.300 -0.042 0.000 1.116 358 R CA 0.408 56.484 56.100 -0.040 0.000 0.745 358 R CB -2.767 27.531 30.300 -0.004 0.000 1.185 358 R HN 0.218 nan 8.270 nan 0.000 0.454 359 L N 1.471 122.633 121.223 -0.102 0.000 2.418 359 L HA 0.122 4.458 4.340 -0.006 0.000 0.265 359 L C 1.148 177.997 176.870 -0.034 0.000 1.143 359 L CA -0.279 54.510 54.840 -0.085 0.000 0.809 359 L CB 0.601 42.546 42.059 -0.189 0.000 1.124 359 L HN 0.159 nan 8.230 nan 0.000 0.456 360 D N -0.030 120.378 120.400 0.013 0.000 2.372 360 D HA -0.113 4.524 4.640 -0.006 0.000 0.243 360 D C 0.907 177.266 176.300 0.099 0.000 1.121 360 D CA -0.458 53.586 54.000 0.074 0.000 0.898 360 D CB 0.792 41.642 40.800 0.083 0.000 1.202 360 D HN 0.522 nan 8.370 nan 0.000 0.428 361 W N 2.416 123.715 121.300 -0.002 0.000 2.302 361 W HA -0.293 4.363 4.660 -0.006 0.000 0.320 361 W C 0.910 177.469 176.519 0.067 0.000 1.241 361 W CA 2.101 59.453 57.345 0.011 0.000 1.264 361 W CB -0.442 29.008 29.460 -0.017 0.000 1.154 361 W HN 0.521 nan 8.180 nan 0.000 0.483 362 D N 0.280 120.891 120.400 0.352 0.000 2.106 362 D HA -0.241 4.395 4.640 -0.006 0.000 0.191 362 D C 1.900 178.302 176.300 0.170 0.000 0.997 362 D CA 2.440 56.614 54.000 0.290 0.000 0.834 362 D CB -0.565 40.366 40.800 0.218 0.000 0.956 362 D HN 0.063 nan 8.370 nan 0.000 0.448 363 K N 1.135 121.591 120.400 0.093 0.000 2.026 363 K HA -0.048 4.268 4.320 -0.006 0.000 0.208 363 K C 1.856 178.440 176.600 -0.027 0.000 1.048 363 K CA 1.742 58.053 56.287 0.040 0.000 0.929 363 K CB -0.727 31.790 32.500 0.028 0.000 0.713 363 K HN 0.027 nan 8.250 nan 0.000 0.439 364 A N 0.588 123.346 122.820 -0.103 0.000 1.908 364 A HA -0.199 4.117 4.320 -0.006 0.000 0.218 364 A C 2.295 179.777 177.584 -0.171 0.000 1.181 364 A CA 1.609 53.512 52.037 -0.224 0.000 0.627 364 A CB -1.249 17.545 19.000 -0.344 0.000 0.818 364 A HN 0.716 nan 8.150 nan 0.000 0.445 365 W N 0.804 121.900 121.300 -0.340 0.000 2.388 365 W HA -0.162 4.495 4.660 -0.006 0.000 0.294 365 W C 2.049 178.514 176.519 -0.090 0.000 1.212 365 W CA 1.725 58.925 57.345 -0.241 0.000 1.271 365 W CB -0.081 29.282 29.460 -0.163 0.000 1.126 365 W HN 0.667 nan 8.180 nan 0.000 0.535 366 E N 0.331 120.514 120.200 -0.030 0.000 2.051 366 E HA -0.226 4.121 4.350 -0.006 0.000 0.192 366 E C 1.969 178.482 176.600 -0.145 0.000 0.991 366 E CA 2.002 58.352 56.400 -0.083 0.000 0.799 366 E CB -0.526 29.186 29.700 0.019 0.000 0.748 366 E HN 0.064 nan 8.360 nan 0.000 0.449 367 V N 1.124 120.969 119.914 -0.114 0.000 2.295 367 V HA -0.256 3.860 4.120 -0.006 0.000 0.246 367 V C 2.474 178.500 176.094 -0.113 0.000 1.049 367 V CA 2.221 64.475 62.300 -0.078 0.000 1.024 367 V CB -0.828 30.940 31.823 -0.092 0.000 0.648 367 V HN 0.416 nan 8.190 nan 0.000 0.447 368 T N 0.032 114.442 114.554 -0.240 0.000 2.652 368 T HA -0.187 4.160 4.350 -0.006 0.000 0.267 368 T C 1.941 176.446 174.700 -0.325 0.000 1.039 368 T CA 1.819 63.750 62.100 -0.282 0.000 1.153 368 T CB -0.298 68.334 68.868 -0.392 0.000 0.863 368 T HN 0.276 nan 8.240 nan 0.000 0.428 369 V N 1.340 120.931 119.914 -0.537 0.000 2.343 369 V HA -0.165 3.951 4.120 -0.006 0.000 0.247 369 V C 2.365 178.405 176.094 -0.089 0.000 1.051 369 V CA 1.614 63.675 62.300 -0.399 0.000 1.036 369 V CB -0.485 31.034 31.823 -0.507 0.000 0.654 369 V HN 0.462 nan 8.190 nan 0.000 0.451 370 K N -0.509 119.819 120.400 -0.121 0.000 2.283 370 K HA -0.091 4.225 4.320 -0.006 0.000 0.202 370 K C 2.087 178.643 176.600 -0.073 0.000 1.048 370 K CA 1.529 57.725 56.287 -0.152 0.000 0.948 370 K CB -0.175 32.243 32.500 -0.138 0.000 0.742 370 K HN 0.491 nan 8.250 nan 0.000 0.458 371 T N 0.204 114.779 114.554 0.036 0.000 2.939 371 T HA 0.014 4.360 4.350 -0.006 0.000 0.254 371 T C 0.984 175.791 174.700 0.178 0.000 1.041 371 T CA 0.401 62.558 62.100 0.095 0.000 1.142 371 T CB 0.086 69.043 68.868 0.149 0.000 0.874 371 T HN 0.169 nan 8.240 nan 0.000 0.452 372 C N 2.247 121.638 119.300 0.151 0.000 2.405 372 C HA 0.878 5.334 4.460 -0.006 0.000 0.365 372 C C 0.563 175.627 174.990 0.123 0.000 1.233 372 C CA -1.313 57.785 59.018 0.134 0.000 2.230 372 C CB 0.099 27.860 27.740 0.034 0.000 2.443 372 C HN 0.596 nan 8.230 nan 0.000 0.556 373 A N 1.642 124.533 122.820 0.118 0.000 2.455 373 A HA 0.693 5.009 4.320 -0.006 0.000 0.300 373 A C -1.539 176.151 177.584 0.177 0.000 1.040 373 A CA -0.354 51.701 52.037 0.029 0.000 0.697 373 A CB 0.984 20.014 19.000 0.049 0.000 1.265 373 A HN 0.888 nan 8.150 nan 0.000 0.407 374 Y N 1.345 121.623 120.300 -0.037 0.000 2.352 374 Y HA 0.690 5.236 4.550 -0.006 0.000 0.339 374 Y C -0.454 175.474 175.900 0.048 0.000 0.992 374 Y CA -0.692 57.410 58.100 0.005 0.000 1.100 374 Y CB 1.920 40.333 38.460 -0.078 0.000 1.192 374 Y HN 0.522 nan 8.280 nan 0.000 0.458 375 T N 7.364 121.879 114.554 -0.066 0.000 2.772 375 T HA 0.214 4.560 4.350 -0.006 0.000 0.288 375 T C -0.666 173.788 174.700 -0.411 0.000 0.994 375 T CA -0.798 61.177 62.100 -0.208 0.000 0.951 375 T CB 0.068 69.016 68.868 0.133 0.000 0.933 375 T HN 0.682 nan 8.240 nan 0.000 0.447 376 N N 2.199 120.553 118.700 -0.575 0.000 2.479 376 N HA 0.131 4.867 4.740 -0.006 0.000 0.285 376 N C 0.089 175.586 175.510 -0.021 0.000 1.075 376 N CA -0.308 52.624 53.050 -0.198 0.000 0.967 376 N CB 0.780 39.240 38.487 -0.045 0.000 1.137 376 N HN 0.694 nan 8.380 nan 0.000 0.472 377 H N 1.145 120.261 119.070 0.077 0.000 2.784 377 H HA 0.163 4.716 4.556 -0.006 0.000 0.273 377 H C -0.204 175.037 175.328 -0.145 0.000 1.112 377 H CA -0.134 55.893 56.048 -0.035 0.000 1.162 377 H CB 1.109 30.865 29.762 -0.011 0.000 1.586 377 H HN 0.512 nan 8.280 nan 0.000 0.548 378 T N 0.307 114.903 114.554 0.070 0.000 2.830 378 T HA 0.253 4.599 4.350 -0.006 0.000 0.322 378 T C 0.339 175.085 174.700 0.076 0.000 1.501 378 T CA -0.411 61.685 62.100 -0.006 0.000 1.036 378 T CB 1.506 70.376 68.868 0.004 0.000 1.379 378 T HN -0.013 nan 8.240 nan 0.000 0.493 379 V N 0.722 120.633 119.914 -0.005 0.000 3.502 379 V HA 0.561 4.678 4.120 -0.006 0.000 0.288 379 V C 0.587 176.648 176.094 -0.054 0.000 1.461 379 V CA -0.262 62.021 62.300 -0.028 0.000 1.029 379 V CB 0.139 31.944 31.823 -0.030 0.000 0.843 379 V HN 0.711 nan 8.190 nan 0.000 0.438 380 I N 4.553 125.076 120.570 -0.079 0.000 2.664 380 I HA 0.162 4.328 4.170 -0.006 0.000 0.284 380 I C -0.481 175.635 176.117 -0.002 0.000 1.154 380 I CA -1.986 59.283 61.300 -0.052 0.000 1.402 380 I CB 0.982 38.907 38.000 -0.125 0.000 1.395 380 I HN 0.179 nan 8.210 nan 0.000 0.545 381 P HA -0.196 nan 4.420 nan 0.000 0.217 381 P C 0.914 178.222 177.300 0.014 0.000 1.148 381 P CA 1.325 64.429 63.100 0.007 0.000 0.828 381 P CB 0.073 31.780 31.700 0.012 0.000 0.783 382 E N -0.173 120.062 120.200 0.057 0.000 2.511 382 E HA 0.051 4.397 4.350 -0.006 0.000 0.196 382 E C 1.389 177.992 176.600 0.005 0.000 1.066 382 E CA 0.638 57.068 56.400 0.049 0.000 0.871 382 E CB -0.456 29.352 29.700 0.179 0.000 0.863 382 E HN 0.200 nan 8.360 nan 0.000 0.520 383 A N 0.981 123.826 122.820 0.042 0.000 2.252 383 A HA 0.273 4.589 4.320 -0.006 0.000 0.213 383 A C 1.097 178.689 177.584 0.013 0.000 1.188 383 A CA -0.353 51.726 52.037 0.070 0.000 0.863 383 A CB 0.068 19.131 19.000 0.104 0.000 0.893 383 A HN 0.146 nan 8.150 nan 0.000 0.495 384 L N 1.481 122.664 121.223 -0.067 0.000 2.349 384 L HA 0.213 4.549 4.340 -0.006 0.000 0.275 384 L C -0.123 176.441 176.870 -0.510 0.000 1.115 384 L CA -0.327 54.416 54.840 -0.162 0.000 0.820 384 L CB 0.768 42.770 42.059 -0.094 0.000 1.135 384 L HN 0.271 nan 8.230 nan 0.000 0.445 385 E N 4.055 123.845 120.200 -0.683 0.000 2.217 385 E HA 0.218 4.564 4.350 -0.006 0.000 0.279 385 E C -0.587 175.355 176.600 -1.097 0.000 1.068 385 E CA -0.095 55.427 56.400 -1.463 0.000 0.882 385 E CB 0.691 29.881 29.700 -0.851 0.000 1.039 385 E HN 0.395 nan 8.360 nan 0.000 0.418 386 R N 3.729 123.430 120.500 -1.333 0.000 2.472 386 R HA 0.189 4.525 4.340 -0.006 0.000 0.294 386 R C -1.282 174.803 176.300 -0.358 0.000 1.243 386 R CA -0.552 55.216 56.100 -0.554 0.000 1.023 386 R CB 0.853 30.976 30.300 -0.295 0.000 1.157 386 R HN 0.460 nan 8.270 nan 0.000 0.530 387 W N 4.741 125.990 121.300 -0.085 0.000 2.322 387 W HA 0.281 4.937 4.660 -0.006 0.000 0.307 387 W C -1.900 174.597 176.519 -0.037 0.000 1.220 387 W CA -2.194 55.159 57.345 0.014 0.000 1.210 387 W CB 0.702 30.146 29.460 -0.026 0.000 1.223 387 W HN 0.259 nan 8.180 nan 0.000 0.511 388 P HA -0.115 nan 4.420 nan 0.000 0.265 388 P C 0.880 178.156 177.300 -0.040 0.000 1.193 388 P CA 0.189 63.313 63.100 0.039 0.000 0.765 388 P CB 0.714 32.367 31.700 -0.077 0.000 0.823 389 V N 2.446 122.381 119.914 0.035 0.000 2.594 389 V HA -0.265 3.851 4.120 -0.006 0.000 0.253 389 V C 1.987 178.097 176.094 0.026 0.000 1.069 389 V CA 1.944 64.264 62.300 0.033 0.000 1.082 389 V CB -1.742 30.157 31.823 0.127 0.000 0.680 389 V HN 0.695 nan 8.190 nan 0.000 0.469 390 H N -0.290 118.840 119.070 0.101 0.000 2.423 390 H HA -0.098 4.454 4.556 -0.006 0.000 0.297 390 H C 2.152 177.531 175.328 0.085 0.000 1.075 390 H CA 1.834 57.937 56.048 0.092 0.000 1.342 390 H CB -0.269 29.547 29.762 0.090 0.000 1.395 390 H HN 0.476 nan 8.280 nan 0.000 0.530 391 L N 1.319 122.240 121.223 -0.503 0.000 2.056 391 L HA -0.060 4.276 4.340 -0.006 0.000 0.207 391 L C 2.618 179.418 176.870 -0.116 0.000 1.078 391 L CA 1.171 55.878 54.840 -0.222 0.000 0.749 391 L CB -0.858 41.058 42.059 -0.239 0.000 0.901 391 L HN 0.244 nan 8.230 nan 0.000 0.433 392 L N -0.920 120.219 121.223 -0.139 0.000 2.093 392 L HA -0.190 4.146 4.340 -0.006 0.000 0.208 392 L C 2.512 179.326 176.870 -0.095 0.000 1.085 392 L CA 1.369 56.115 54.840 -0.156 0.000 0.755 392 L CB -0.471 41.491 42.059 -0.162 0.000 0.904 392 L HN 0.383 nan 8.230 nan 0.000 0.435 393 E N -0.460 119.728 120.200 -0.020 0.000 2.110 393 E HA -0.194 4.152 4.350 -0.006 0.000 0.193 393 E C 1.933 178.577 176.600 0.074 0.000 0.988 393 E CA 1.687 58.108 56.400 0.035 0.000 0.804 393 E CB 0.171 29.932 29.700 0.100 0.000 0.745 393 E HN 0.396 nan 8.360 nan 0.000 0.458 394 T N 0.941 115.562 114.554 0.111 0.000 2.698 394 T HA -0.110 4.237 4.350 -0.006 0.000 0.260 394 T C 1.764 176.594 174.700 0.217 0.000 1.044 394 T CA 0.935 63.154 62.100 0.198 0.000 1.149 394 T CB -0.213 68.803 68.868 0.246 0.000 0.864 394 T HN 0.089 nan 8.240 nan 0.000 0.419 395 L N 0.065 121.314 121.223 0.043 0.000 2.109 395 L HA 0.257 4.593 4.340 -0.006 0.000 0.207 395 L C 0.357 177.161 176.870 -0.109 0.000 1.086 395 L CA 1.638 56.364 54.840 -0.190 0.000 0.760 395 L CB -0.018 41.883 42.059 -0.262 0.000 0.910 395 L HN 0.193 nan 8.230 nan 0.000 0.437 396 L N 0.362 121.496 121.223 -0.150 0.000 2.551 396 L HA 0.289 4.625 4.340 -0.006 0.000 0.248 396 L C -1.682 175.029 176.870 -0.265 0.000 1.509 396 L CA -0.985 53.690 54.840 -0.276 0.000 0.842 396 L CB 0.884 42.626 42.059 -0.528 0.000 1.087 396 L HN -0.094 nan 8.230 nan 0.000 0.512 397 P HA -0.226 nan 4.420 nan 0.000 0.216 397 P C 1.438 178.570 177.300 -0.281 0.000 1.150 397 P CA 1.252 64.260 63.100 -0.155 0.000 0.843 397 P CB 0.400 32.086 31.700 -0.023 0.000 0.787 398 R N -0.344 119.797 120.500 -0.598 0.000 2.115 398 R HA -0.111 4.225 4.340 -0.006 0.000 0.226 398 R C 2.283 178.276 176.300 -0.512 0.000 1.100 398 R CA 1.545 57.289 56.100 -0.594 0.000 0.980 398 R CB -1.629 28.118 30.300 -0.922 0.000 0.875 398 R HN 0.257 nan 8.270 nan 0.000 0.445 399 H N -0.717 118.045 119.070 -0.515 0.000 2.389 399 H HA -0.037 4.515 4.556 -0.006 0.000 0.299 399 H C 1.512 176.676 175.328 -0.272 0.000 1.081 399 H CA 1.518 57.348 56.048 -0.365 0.000 1.345 399 H CB -0.084 29.419 29.762 -0.432 0.000 1.393 399 H HN 0.111 nan 8.280 nan 0.000 0.520 400 L N 0.806 121.920 121.223 -0.182 0.000 2.093 400 L HA -0.160 4.176 4.340 -0.006 0.000 0.208 400 L C 1.830 178.553 176.870 -0.245 0.000 1.085 400 L CA 1.599 56.278 54.840 -0.268 0.000 0.755 400 L CB -0.469 41.452 42.059 -0.231 0.000 0.904 400 L HN 0.257 nan 8.230 nan 0.000 0.435 401 Q N -0.587 119.165 119.800 -0.079 0.000 2.084 401 Q HA -0.185 4.151 4.340 -0.006 0.000 0.202 401 Q C 2.318 178.351 176.000 0.055 0.000 0.978 401 Q CA 1.957 57.797 55.803 0.062 0.000 0.844 401 Q CB -0.197 28.576 28.738 0.058 0.000 0.898 401 Q HN 0.569 nan 8.270 nan 0.000 0.426 402 I N 0.367 120.942 120.570 0.008 0.000 2.315 402 I HA -0.249 3.917 4.170 -0.006 0.000 0.248 402 I C 2.131 178.320 176.117 0.121 0.000 1.117 402 I CA 0.908 62.289 61.300 0.135 0.000 1.404 402 I CB -0.079 37.937 38.000 0.025 0.000 1.071 402 I HN 0.192 nan 8.210 nan 0.000 0.419 403 I N -0.452 120.107 120.570 -0.020 0.000 2.252 403 I HA -0.312 3.854 4.170 -0.006 0.000 0.245 403 I C 2.347 178.455 176.117 -0.014 0.000 1.102 403 I CA 1.422 62.689 61.300 -0.054 0.000 1.385 403 I CB -0.319 37.578 38.000 -0.171 0.000 1.064 403 I HN 0.151 nan 8.210 nan 0.000 0.414 404 Y N 0.765 121.068 120.300 0.005 0.000 2.224 404 Y HA -0.258 4.288 4.550 -0.006 0.000 0.289 404 Y C 2.564 178.427 175.900 -0.061 0.000 1.146 404 Y CA 1.445 59.535 58.100 -0.017 0.000 1.182 404 Y CB -0.612 37.830 38.460 -0.030 0.000 0.983 404 Y HN 0.190 nan 8.280 nan 0.000 0.524 405 E N 0.347 120.582 120.200 0.059 0.000 2.107 405 E HA -0.118 4.229 4.350 -0.006 0.000 0.191 405 E C 2.068 178.580 176.600 -0.148 0.000 0.982 405 E CA 1.068 57.360 56.400 -0.180 0.000 0.809 405 E CB -0.515 28.897 29.700 -0.479 0.000 0.756 405 E HN 0.470 nan 8.360 nan 0.000 0.459 406 I N 0.659 121.237 120.570 0.014 0.000 2.179 406 I HA -0.287 3.879 4.170 -0.006 0.000 0.242 406 I C 2.227 178.329 176.117 -0.026 0.000 1.088 406 I CA 1.348 62.593 61.300 -0.092 0.000 1.357 406 I CB -0.347 37.590 38.000 -0.104 0.000 1.051 406 I HN 0.213 nan 8.210 nan 0.000 0.409 407 N N 0.592 119.335 118.700 0.071 0.000 2.043 407 N HA -0.278 4.458 4.740 -0.006 0.000 0.193 407 N C 1.835 177.436 175.510 0.152 0.000 1.037 407 N CA 1.565 54.719 53.050 0.174 0.000 0.851 407 N CB -0.152 38.453 38.487 0.197 0.000 1.027 407 N HN 0.151 nan 8.380 nan 0.000 0.422 408 Q N 0.796 120.629 119.800 0.054 0.000 2.077 408 Q HA -0.053 4.283 4.340 -0.006 0.000 0.206 408 Q C 1.975 177.962 176.000 -0.021 0.000 0.989 408 Q CA 1.775 57.575 55.803 -0.006 0.000 0.853 408 Q CB -0.223 28.467 28.738 -0.079 0.000 0.907 408 Q HN 0.375 nan 8.270 nan 0.000 0.418 409 R N -1.301 119.164 120.500 -0.058 0.000 2.115 409 R HA -0.068 4.268 4.340 -0.006 0.000 0.230 409 R C 2.100 178.433 176.300 0.055 0.000 1.111 409 R CA 1.114 57.183 56.100 -0.052 0.000 0.976 409 R CB -0.386 29.836 30.300 -0.129 0.000 0.870 409 R HN 0.284 nan 8.270 nan 0.000 0.445 410 F N 1.142 121.074 119.950 -0.030 0.000 2.163 410 F HA -0.049 4.474 4.527 -0.006 0.000 0.297 410 F C 1.682 177.520 175.800 0.062 0.000 1.094 410 F CA 1.237 59.272 58.000 0.059 0.000 1.290 410 F CB -0.056 39.011 39.000 0.112 0.000 1.017 410 F HN -0.114 nan 8.300 nan 0.000 0.483 411 L N 0.028 121.256 121.223 0.008 0.000 2.291 411 L HA -0.161 4.175 4.340 -0.006 0.000 0.214 411 L C 1.892 178.698 176.870 -0.106 0.000 1.120 411 L CA 0.575 55.358 54.840 -0.095 0.000 0.799 411 L CB -0.728 41.346 42.059 0.025 0.000 0.925 411 L HN 0.139 nan 8.230 nan 0.000 0.446 412 N N 0.565 119.222 118.700 -0.071 0.000 2.188 412 N HA -0.117 4.620 4.740 -0.006 0.000 0.184 412 N C 1.879 177.342 175.510 -0.079 0.000 1.018 412 N CA 1.075 54.087 53.050 -0.063 0.000 0.858 412 N CB -0.076 38.382 38.487 -0.048 0.000 0.989 412 N HN 0.308 nan 8.380 nan 0.000 0.426 413 R N 0.061 120.498 120.500 -0.104 0.000 2.090 413 R HA 0.060 4.396 4.340 -0.006 0.000 0.228 413 R C 2.047 178.258 176.300 -0.149 0.000 1.110 413 R CA 0.674 56.711 56.100 -0.105 0.000 0.973 413 R CB -0.448 29.808 30.300 -0.074 0.000 0.869 413 R HN 0.017 nan 8.270 nan 0.000 0.440 414 V N 1.460 121.229 119.914 -0.241 0.000 2.295 414 V HA -0.251 3.865 4.120 -0.006 0.000 0.246 414 V C 2.508 178.597 176.094 -0.007 0.000 1.049 414 V CA 2.043 64.258 62.300 -0.142 0.000 1.024 414 V CB -0.723 30.941 31.823 -0.264 0.000 0.648 414 V HN 0.411 nan 8.190 nan 0.000 0.447 415 A N -0.087 122.703 122.820 -0.049 0.000 1.933 415 A HA -0.121 4.195 4.320 -0.006 0.000 0.218 415 A C 2.392 179.957 177.584 -0.032 0.000 1.175 415 A CA 2.081 54.108 52.037 -0.018 0.000 0.628 415 A CB -0.715 18.266 19.000 -0.032 0.000 0.814 415 A HN 0.583 nan 8.150 nan 0.000 0.444 416 A N -0.474 122.308 122.820 -0.064 0.000 1.969 416 A HA 0.248 4.564 4.320 -0.006 0.000 0.218 416 A C 2.388 179.888 177.584 -0.139 0.000 1.169 416 A CA 1.828 53.817 52.037 -0.081 0.000 0.635 416 A CB -0.706 18.251 19.000 -0.072 0.000 0.810 416 A HN 0.986 nan 8.150 nan 0.000 0.445 417 A N -1.787 120.909 122.820 -0.207 0.000 1.975 417 A HA 0.375 4.692 4.320 -0.006 0.000 0.215 417 A C 0.457 177.590 177.584 -0.751 0.000 1.170 417 A CA 0.531 52.280 52.037 -0.481 0.000 0.656 417 A CB -0.143 18.514 19.000 -0.572 0.000 0.821 417 A HN 0.419 nan 8.150 nan 0.000 0.449 418 F N 0.155 120.059 119.950 -0.076 0.000 2.584 418 F HA 0.333 4.856 4.527 -0.006 0.000 0.328 418 F C -2.748 173.016 175.800 -0.060 0.000 1.407 418 F CA -2.937 55.023 58.000 -0.068 0.000 1.145 418 F CB 0.844 39.795 39.000 -0.082 0.000 1.440 418 F HN -0.064 nan 8.300 nan 0.000 0.580 419 P HA 0.190 nan 4.420 nan 0.000 0.264 419 P C 1.039 178.361 177.300 0.036 0.000 1.193 419 P CA 1.060 64.174 63.100 0.023 0.000 0.763 419 P CB 0.931 32.626 31.700 -0.009 0.000 0.810 420 G N 2.549 111.363 108.800 0.023 0.000 2.225 420 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.254 420 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.254 420 G C 0.331 175.241 174.900 0.017 0.000 0.988 420 G CA 0.043 45.153 45.100 0.016 0.000 0.625 420 G HN 0.599 nan 8.290 nan 0.000 0.527 421 D N 1.339 121.759 120.400 0.033 0.000 2.551 421 D HA 0.449 5.086 4.640 -0.006 0.000 0.223 421 D C 1.741 178.032 176.300 -0.015 0.000 1.144 421 D CA 0.185 54.189 54.000 0.005 0.000 1.025 421 D CB 0.463 41.264 40.800 0.001 0.000 1.085 421 D HN 0.113 nan 8.370 nan 0.000 0.506 422 V N 2.308 122.214 119.914 -0.012 0.000 2.427 422 V HA -0.202 3.914 4.120 -0.006 0.000 0.248 422 V C 1.955 178.038 176.094 -0.018 0.000 1.051 422 V CA 1.556 63.849 62.300 -0.012 0.000 1.048 422 V CB -0.276 31.543 31.823 -0.006 0.000 0.666 422 V HN 0.415 nan 8.190 nan 0.000 0.456 423 D N -0.408 119.977 120.400 -0.025 0.000 2.224 423 D HA -0.160 4.476 4.640 -0.006 0.000 0.205 423 D C 2.339 178.613 176.300 -0.044 0.000 0.965 423 D CA 0.757 54.742 54.000 -0.024 0.000 0.852 423 D CB -0.065 40.720 40.800 -0.024 0.000 0.947 423 D HN 0.247 nan 8.370 nan 0.000 0.494 424 R N -0.174 120.276 120.500 -0.085 0.000 2.075 424 R HA -0.069 4.267 4.340 -0.006 0.000 0.232 424 R C 2.169 178.403 176.300 -0.109 0.000 1.126 424 R CA 0.782 56.794 56.100 -0.147 0.000 0.963 424 R CB -0.192 29.957 30.300 -0.251 0.000 0.858 424 R HN 0.246 nan 8.270 nan 0.000 0.435 425 L N 0.348 121.532 121.223 -0.065 0.000 1.989 425 L HA -0.208 4.128 4.340 -0.006 0.000 0.211 425 L C 2.938 179.819 176.870 0.018 0.000 1.071 425 L CA 1.758 56.579 54.840 -0.030 0.000 0.749 425 L CB -0.627 41.422 42.059 -0.015 0.000 0.890 425 L HN 0.280 nan 8.230 nan 0.000 0.431 426 R N 0.444 120.958 120.500 0.023 0.000 2.083 426 R HA -0.186 4.150 4.340 -0.006 0.000 0.237 426 R C 2.473 178.829 176.300 0.093 0.000 1.137 426 R CA 1.622 57.756 56.100 0.057 0.000 0.951 426 R CB -0.118 30.207 30.300 0.041 0.000 0.851 426 R HN 0.315 nan 8.270 nan 0.000 0.434 427 R N -0.284 120.254 120.500 0.063 0.000 2.075 427 R HA -0.058 4.278 4.340 -0.006 0.000 0.232 427 R C 2.298 178.703 176.300 0.175 0.000 1.126 427 R CA 1.804 57.968 56.100 0.107 0.000 0.963 427 R CB -0.184 30.136 30.300 0.033 0.000 0.858 427 R HN 0.324 nan 8.270 nan 0.000 0.435 428 M N 0.380 120.002 119.600 0.037 0.000 2.506 428 M HA 0.011 4.487 4.480 -0.006 0.000 0.260 428 M C 0.971 177.492 176.300 0.368 0.000 1.104 428 M CA 0.136 55.430 55.300 -0.010 0.000 1.112 428 M CB 0.224 32.640 32.600 -0.307 0.000 1.401 428 M HN -0.051 nan 8.290 nan 0.000 0.473 429 S N 0.757 116.657 115.700 0.333 0.000 2.558 429 S HA -0.021 4.445 4.470 -0.006 0.000 0.291 429 S C 0.969 175.846 174.600 0.461 0.000 1.306 429 S CA -0.360 58.057 58.200 0.362 0.000 1.056 429 S CB 0.593 63.935 63.200 0.236 0.000 0.836 429 S HN 0.226 nan 8.310 nan 0.000 0.504 430 L N 5.136 126.573 121.223 0.357 0.000 2.376 430 L HA 0.156 4.493 4.340 -0.006 0.000 0.219 430 L C 0.385 177.353 176.870 0.164 0.000 1.133 430 L CA 0.823 55.814 54.840 0.252 0.000 0.816 430 L CB -0.433 41.718 42.059 0.154 0.000 0.933 430 L HN 0.502 nan 8.230 nan 0.000 0.449 431 V N 0.205 120.235 119.914 0.194 0.000 2.370 431 V HA 0.211 4.327 4.120 -0.006 0.000 0.279 431 V C 0.194 176.372 176.094 0.141 0.000 1.029 431 V CA -0.980 61.420 62.300 0.167 0.000 0.870 431 V CB 1.124 33.084 31.823 0.229 0.000 0.984 431 V HN 0.144 nan 8.190 nan 0.000 0.451 432 E N 3.170 123.430 120.200 0.100 0.000 2.216 432 E HA 0.266 4.612 4.350 -0.006 0.000 0.279 432 E C 0.002 176.653 176.600 0.086 0.000 0.997 432 E CA -0.499 55.951 56.400 0.082 0.000 0.817 432 E CB 2.120 31.846 29.700 0.043 0.000 1.096 432 E HN 0.545 nan 8.360 nan 0.000 0.393 433 E N 1.898 122.145 120.200 0.079 0.000 2.299 433 E HA 0.025 4.371 4.350 -0.006 0.000 0.193 433 E C 1.080 177.718 176.600 0.063 0.000 0.998 433 E CA 0.368 56.811 56.400 0.071 0.000 0.851 433 E CB -0.278 29.459 29.700 0.062 0.000 0.795 433 E HN 0.719 nan 8.360 nan 0.000 0.492 434 G N 0.319 109.154 108.800 0.059 0.000 2.173 434 G HA2 -0.105 3.851 3.960 -0.006 0.000 0.761 434 G HA3 -0.105 3.851 3.960 -0.006 0.000 0.761 434 G C 1.219 176.153 174.900 0.056 0.000 1.256 434 G CA 0.647 45.779 45.100 0.054 0.000 1.314 434 G HN 0.327 nan 8.290 nan 0.000 0.726 435 A N -1.766 121.086 122.820 0.053 0.000 1.902 435 A HA 0.191 4.508 4.320 -0.006 0.000 0.217 435 A C 1.219 178.844 177.584 0.069 0.000 1.181 435 A CA 1.683 53.751 52.037 0.052 0.000 0.623 435 A CB -0.304 18.722 19.000 0.045 0.000 0.818 435 A HN 0.742 nan 8.150 nan 0.000 0.443 436 V N 1.029 120.992 119.914 0.082 0.000 2.311 436 V HA 0.223 4.340 4.120 -0.006 0.000 0.275 436 V C 0.046 176.208 176.094 0.113 0.000 1.022 436 V CA -0.740 61.630 62.300 0.116 0.000 0.830 436 V CB 0.910 32.810 31.823 0.129 0.000 1.012 436 V HN 0.422 nan 8.190 nan 0.000 0.452 437 K N 4.912 125.388 120.400 0.126 0.000 2.412 437 K HA 0.359 4.676 4.320 -0.006 0.000 0.281 437 K C 0.083 176.754 176.600 0.119 0.000 1.027 437 K CA 0.170 56.530 56.287 0.121 0.000 0.989 437 K CB 0.506 33.090 32.500 0.140 0.000 0.935 437 K HN 0.643 nan 8.250 nan 0.000 0.475 438 R N 2.968 123.524 120.500 0.094 0.000 2.888 438 R HA 0.498 4.835 4.340 -0.006 0.000 0.264 438 R C -0.818 175.515 176.300 0.056 0.000 1.045 438 R CA -1.130 55.013 56.100 0.073 0.000 0.962 438 R CB 1.145 31.469 30.300 0.040 0.000 1.210 438 R HN 0.396 nan 8.270 nan 0.000 0.479 439 I N 1.721 122.315 120.570 0.041 0.000 2.378 439 I HA 0.173 4.339 4.170 -0.006 0.000 0.291 439 I C -0.304 175.790 176.117 -0.039 0.000 0.992 439 I CA -0.794 60.514 61.300 0.014 0.000 1.154 439 I CB 1.352 39.355 38.000 0.004 0.000 1.315 439 I HN 0.500 nan 8.210 nan 0.000 0.448 440 N N 6.936 125.584 118.700 -0.087 0.000 2.415 440 N HA 0.086 4.822 4.740 -0.006 0.000 0.250 440 N C 0.863 176.272 175.510 -0.169 0.000 1.127 440 N CA -0.349 52.571 53.050 -0.216 0.000 0.945 440 N CB 0.928 39.137 38.487 -0.463 0.000 1.196 440 N HN 0.374 nan 8.380 nan 0.000 0.499 441 M N 2.414 121.920 119.600 -0.157 0.000 2.213 441 M HA -0.092 4.384 4.480 -0.006 0.000 0.263 441 M C 1.954 178.118 176.300 -0.226 0.000 1.062 441 M CA 0.861 56.085 55.300 -0.127 0.000 1.105 441 M CB -1.594 30.968 32.600 -0.064 0.000 1.385 441 M HN 0.605 nan 8.290 nan 0.000 0.417 442 A N -0.776 121.917 122.820 -0.212 0.000 1.930 442 A HA -0.164 4.152 4.320 -0.006 0.000 0.217 442 A C 1.999 179.389 177.584 -0.324 0.000 1.175 442 A CA 1.401 53.286 52.037 -0.255 0.000 0.627 442 A CB -1.092 17.992 19.000 0.141 0.000 0.815 442 A HN 0.610 nan 8.150 nan 0.000 0.443 443 H N -1.489 117.382 119.070 -0.332 0.000 2.389 443 H HA -0.085 4.467 4.556 -0.006 0.000 0.299 443 H C 2.083 177.191 175.328 -0.368 0.000 1.081 443 H CA 1.067 56.867 56.048 -0.413 0.000 1.345 443 H CB 0.020 29.755 29.762 -0.046 0.000 1.393 443 H HN 0.449 nan 8.280 nan 0.000 0.520 444 L N 0.608 121.753 121.223 -0.131 0.000 2.046 444 L HA -0.153 4.183 4.340 -0.006 0.000 0.208 444 L C 2.200 178.950 176.870 -0.200 0.000 1.077 444 L CA 1.448 56.211 54.840 -0.129 0.000 0.747 444 L CB -0.750 41.261 42.059 -0.079 0.000 0.896 444 L HN 0.264 nan 8.230 nan 0.000 0.432 445 C N -0.397 118.687 119.300 -0.360 0.000 2.425 445 C HA -0.084 4.372 4.460 -0.006 0.000 0.277 445 C C 2.699 177.487 174.990 -0.337 0.000 1.280 445 C CA 0.894 59.636 59.018 -0.460 0.000 1.744 445 C CB -0.934 26.145 27.740 -1.101 0.000 1.989 445 C HN 0.618 nan 8.230 nan 0.000 0.491 446 I N 1.356 121.687 120.570 -0.399 0.000 2.202 446 I HA -0.159 4.007 4.170 -0.006 0.000 0.242 446 I C 2.751 178.748 176.117 -0.199 0.000 1.091 446 I CA 1.568 62.676 61.300 -0.319 0.000 1.368 446 I CB -0.544 37.115 38.000 -0.569 0.000 1.058 446 I HN 0.239 nan 8.210 nan 0.000 0.410 447 A N 0.564 123.203 122.820 -0.302 0.000 1.933 447 A HA -0.115 4.201 4.320 -0.006 0.000 0.218 447 A C 2.221 179.868 177.584 0.105 0.000 1.175 447 A CA 1.922 53.788 52.037 -0.285 0.000 0.628 447 A CB -1.211 17.353 19.000 -0.728 0.000 0.814 447 A HN 0.481 nan 8.150 nan 0.000 0.444 448 G N -1.233 107.582 108.800 0.025 0.000 3.284 448 G HA2 0.410 4.367 3.960 -0.006 0.000 0.236 448 G HA3 0.410 4.367 3.960 -0.006 0.000 0.236 448 G C 0.124 174.883 174.900 -0.235 0.000 1.158 448 G CA 0.516 45.524 45.100 -0.154 0.000 0.774 448 G HN 0.358 nan 8.290 nan 0.000 0.545 449 S N -0.416 115.202 115.700 -0.137 0.000 2.536 449 S HA 0.332 4.798 4.470 -0.006 0.000 0.298 449 S C 0.712 175.271 174.600 -0.069 0.000 1.083 449 S CA -0.712 57.429 58.200 -0.097 0.000 0.995 449 S CB 1.317 64.471 63.200 -0.077 0.000 1.058 449 S HN 0.498 nan 8.310 nan 0.000 0.488 450 H N -0.132 118.901 119.070 -0.063 0.000 2.551 450 H HA 0.503 5.055 4.556 -0.006 0.000 0.266 450 H C 0.139 175.442 175.328 -0.041 0.000 0.964 450 H CA 0.265 56.289 56.048 -0.041 0.000 1.180 450 H CB 0.166 29.913 29.762 -0.025 0.000 1.408 450 H HN 0.516 nan 8.280 nan 0.000 0.563 451 A N 0.974 123.484 122.820 -0.515 0.000 2.520 451 A HA 0.570 4.886 4.320 -0.006 0.000 0.298 451 A C -1.431 175.956 177.584 -0.330 0.000 1.051 451 A CA -0.568 51.222 52.037 -0.411 0.000 0.690 451 A CB 2.298 21.017 19.000 -0.467 0.000 1.281 451 A HN 0.097 nan 8.150 nan 0.000 0.402 452 V N 3.964 123.645 119.914 -0.388 0.000 2.623 452 V HA 0.546 4.663 4.120 -0.006 0.000 0.304 452 V C -0.826 175.088 176.094 -0.299 0.000 1.054 452 V CA -0.774 61.289 62.300 -0.395 0.000 0.882 452 V CB 1.872 33.301 31.823 -0.657 0.000 1.002 452 V HN 1.041 nan 8.190 nan 0.000 0.424 453 N N 2.907 121.462 118.700 -0.243 0.000 2.262 453 N HA 0.633 5.369 4.740 -0.006 0.000 0.295 453 N C -0.304 175.131 175.510 -0.126 0.000 1.161 453 N CA -0.382 52.573 53.050 -0.159 0.000 0.767 453 N CB 2.904 41.273 38.487 -0.198 0.000 1.499 453 N HN 0.654 nan 8.380 nan 0.000 0.476 454 G N -0.871 107.892 108.800 -0.063 0.000 2.511 454 G HA2 0.428 4.384 3.960 -0.006 0.000 0.316 454 G HA3 0.428 4.384 3.960 -0.006 0.000 0.316 454 G C 0.702 175.680 174.900 0.130 0.000 1.210 454 G CA -0.556 44.578 45.100 0.056 0.000 0.969 454 G HN 0.624 nan 8.290 nan 0.000 0.492 455 V N -3.448 116.634 119.914 0.280 0.000 3.376 455 V HA 0.691 4.807 4.120 -0.006 0.000 0.313 455 V C 0.514 176.672 176.094 0.105 0.000 1.393 455 V CA 0.224 62.583 62.300 0.098 0.000 1.125 455 V CB -0.879 30.937 31.823 -0.012 0.000 1.037 455 V HN 1.395 nan 8.190 nan 0.000 0.440 456 A N -0.281 122.616 122.820 0.128 0.000 2.590 456 A HA 0.631 4.947 4.320 -0.006 0.000 0.296 456 A C 0.554 178.185 177.584 0.077 0.000 1.050 456 A CA -0.142 51.953 52.037 0.097 0.000 0.697 456 A CB 1.065 20.112 19.000 0.079 0.000 1.277 456 A HN 0.068 nan 8.150 nan 0.000 0.411 457 R N 1.000 121.526 120.500 0.043 0.000 2.133 457 R HA -0.201 4.135 4.340 -0.006 0.000 0.245 457 R C 1.800 178.096 176.300 -0.007 0.000 1.137 457 R CA 2.501 58.604 56.100 0.005 0.000 0.947 457 R CB -0.290 30.009 30.300 -0.002 0.000 0.865 457 R HN 0.815 nan 8.270 nan 0.000 0.437 458 I N -0.124 120.450 120.570 0.007 0.000 2.286 458 I HA -0.300 3.866 4.170 -0.006 0.000 0.248 458 I C 2.244 178.366 176.117 0.008 0.000 1.115 458 I CA 1.880 63.176 61.300 -0.007 0.000 1.392 458 I CB -0.183 37.812 38.000 -0.009 0.000 1.065 458 I HN 0.365 nan 8.210 nan 0.000 0.418 459 H N 0.208 119.245 119.070 -0.054 0.000 2.326 459 H HA -0.106 4.446 4.556 -0.007 0.000 0.301 459 H C 2.253 177.543 175.328 -0.063 0.000 1.081 459 H CA 2.163 58.175 56.048 -0.061 0.000 1.334 459 H CB -0.221 29.512 29.762 -0.049 0.000 1.385 459 H HN 0.233 nan 8.280 nan 0.000 0.504 460 S N 0.312 115.900 115.700 -0.186 0.000 2.399 460 S HA -0.112 4.354 4.470 -0.006 0.000 0.231 460 S C 1.859 176.333 174.600 -0.209 0.000 1.022 460 S CA 1.142 59.206 58.200 -0.227 0.000 0.983 460 S CB -0.047 63.095 63.200 -0.097 0.000 0.803 460 S HN 0.475 nan 8.310 nan 0.000 0.480 461 E N 1.176 121.275 120.200 -0.168 0.000 2.072 461 E HA 0.051 4.397 4.350 -0.006 0.000 0.190 461 E C 2.002 178.477 176.600 -0.207 0.000 0.982 461 E CA 0.554 56.843 56.400 -0.185 0.000 0.803 461 E CB -0.326 29.297 29.700 -0.128 0.000 0.755 461 E HN 0.493 nan 8.360 nan 0.000 0.453 462 I N 0.970 121.431 120.570 -0.181 0.000 2.286 462 I HA -0.266 3.900 4.170 -0.006 0.000 0.248 462 I C 2.374 178.351 176.117 -0.233 0.000 1.115 462 I CA 0.701 61.897 61.300 -0.173 0.000 1.392 462 I CB -0.167 37.763 38.000 -0.117 0.000 1.065 462 I HN 0.068 nan 8.210 nan 0.000 0.418 463 L N 0.383 121.425 121.223 -0.301 0.000 2.017 463 L HA -0.242 4.094 4.340 -0.006 0.000 0.208 463 L C 2.462 179.188 176.870 -0.241 0.000 1.073 463 L CA 1.660 56.326 54.840 -0.289 0.000 0.745 463 L CB -0.521 41.428 42.059 -0.184 0.000 0.894 463 L HN 0.180 nan 8.230 nan 0.000 0.432 464 K N -0.251 119.940 120.400 -0.349 0.000 2.288 464 K HA -0.129 4.187 4.320 -0.006 0.000 0.201 464 K C 2.038 178.418 176.600 -0.367 0.000 1.048 464 K CA 0.928 56.874 56.287 -0.569 0.000 0.956 464 K CB 0.095 31.967 32.500 -1.046 0.000 0.746 464 K HN 0.272 nan 8.250 nan 0.000 0.461 465 K N -0.283 119.960 120.400 -0.261 0.000 2.166 465 K HA -0.034 4.282 4.320 -0.006 0.000 0.201 465 K C 2.044 178.580 176.600 -0.108 0.000 1.052 465 K CA 1.483 57.673 56.287 -0.160 0.000 0.969 465 K CB 0.369 32.784 32.500 -0.142 0.000 0.761 465 K HN 0.238 nan 8.250 nan 0.000 0.459 466 T N -1.192 113.287 114.554 -0.125 0.000 3.330 466 T HA 0.064 4.411 4.350 -0.006 0.000 0.185 466 T C 1.850 176.494 174.700 -0.093 0.000 0.874 466 T CA -0.068 61.974 62.100 -0.096 0.000 1.268 466 T CB -0.681 68.125 68.868 -0.103 0.000 1.866 466 T HN -0.081 nan 8.240 nan 0.000 0.395 467 I N 1.342 121.797 120.570 -0.192 0.000 2.113 467 I HA -0.102 4.064 4.170 -0.006 0.000 0.242 467 I C 1.437 177.483 176.117 -0.118 0.000 1.057 467 I CA 1.781 62.901 61.300 -0.299 0.000 1.314 467 I CB -0.812 36.767 38.000 -0.703 0.000 1.022 467 I HN 0.242 nan 8.210 nan 0.000 0.408 468 F N 0.705 120.710 119.950 0.091 0.000 2.850 468 F HA 0.309 4.832 4.527 -0.007 0.000 0.306 468 F C 1.775 177.624 175.800 0.081 0.000 1.162 468 F CA -1.008 57.111 58.000 0.198 0.000 1.327 468 F CB -0.701 38.400 39.000 0.169 0.000 0.953 468 F HN -0.027 nan 8.300 nan 0.000 0.507 469 K N 0.693 121.187 120.400 0.157 0.000 2.032 469 K HA -0.188 4.128 4.320 -0.006 0.000 0.209 469 K C 1.379 178.020 176.600 0.069 0.000 1.048 469 K CA 2.087 58.416 56.287 0.069 0.000 0.927 469 K CB 0.060 32.568 32.500 0.014 0.000 0.712 469 K HN 0.051 nan 8.250 nan 0.000 0.441 470 D N -0.034 120.373 120.400 0.012 0.000 2.123 470 D HA -0.164 4.472 4.640 -0.006 0.000 0.196 470 D C 1.767 177.954 176.300 -0.189 0.000 0.992 470 D CA 1.236 55.115 54.000 -0.201 0.000 0.833 470 D CB -0.274 40.305 40.800 -0.369 0.000 0.954 470 D HN 0.232 nan 8.370 nan 0.000 0.455 471 F N -0.322 119.696 119.950 0.114 0.000 2.186 471 F HA -0.130 4.393 4.527 -0.006 0.000 0.299 471 F C 2.299 178.248 175.800 0.248 0.000 1.090 471 F CA 0.517 58.669 58.000 0.252 0.000 1.307 471 F CB -0.657 38.562 39.000 0.365 0.000 1.019 471 F HN -0.015 nan 8.300 nan 0.000 0.489 472 Y N 1.208 121.469 120.300 -0.066 0.000 2.293 472 Y HA -0.153 4.394 4.550 -0.006 0.000 0.291 472 Y C 2.059 177.966 175.900 0.012 0.000 1.137 472 Y CA 1.506 59.431 58.100 -0.293 0.000 1.202 472 Y CB -0.576 37.538 38.460 -0.576 0.000 0.990 472 Y HN 0.130 nan 8.280 nan 0.000 0.537 473 E N -0.305 119.839 120.200 -0.093 0.000 2.107 473 E HA -0.163 4.183 4.350 -0.006 0.000 0.191 473 E C 1.986 178.649 176.600 0.104 0.000 0.982 473 E CA 1.127 57.478 56.400 -0.082 0.000 0.809 473 E CB -0.208 29.476 29.700 -0.026 0.000 0.756 473 E HN 0.466 nan 8.360 nan 0.000 0.459 474 L N 0.833 122.167 121.223 0.184 0.000 2.095 474 L HA -0.028 4.308 4.340 -0.006 0.000 0.204 474 L C 0.280 177.260 176.870 0.183 0.000 1.080 474 L CA 1.582 56.578 54.840 0.260 0.000 0.759 474 L CB 0.452 42.657 42.059 0.243 0.000 0.914 474 L HN -0.120 nan 8.230 nan 0.000 0.439 475 E N -0.017 120.325 120.200 0.236 0.000 3.132 475 E HA 0.178 4.524 4.350 -0.006 0.000 0.241 475 E C -2.001 174.762 176.600 0.270 0.000 1.196 475 E CA -1.276 55.276 56.400 0.255 0.000 0.869 475 E CB 0.914 30.814 29.700 0.332 0.000 1.387 475 E HN 0.195 nan 8.360 nan 0.000 0.393 476 P HA -0.215 nan 4.420 nan 0.000 0.216 476 P C 0.995 178.348 177.300 0.090 0.000 1.150 476 P CA 1.261 64.248 63.100 -0.188 0.000 0.837 476 P CB 0.229 31.625 31.700 -0.506 0.000 0.786 477 H N -0.187 118.983 119.070 0.167 0.000 2.521 477 H HA 0.050 4.602 4.556 -0.006 0.000 0.286 477 H C 1.947 177.359 175.328 0.139 0.000 1.034 477 H CA 0.914 57.052 56.048 0.150 0.000 1.278 477 H CB -0.020 29.799 29.762 0.095 0.000 1.386 477 H HN 0.267 nan 8.280 nan 0.000 0.567 478 K N 0.239 120.773 120.400 0.225 0.000 2.155 478 K HA -0.037 4.279 4.320 -0.006 0.000 0.203 478 K C -0.047 176.429 176.600 -0.206 0.000 1.052 478 K CA 0.332 56.602 56.287 -0.027 0.000 0.948 478 K CB 0.107 32.503 32.500 -0.172 0.000 0.728 478 K HN 0.009 nan 8.250 nan 0.000 0.448 479 F N 1.903 121.935 119.950 0.136 0.000 2.445 479 F HA 0.134 4.657 4.527 -0.007 0.000 0.359 479 F C 0.598 176.414 175.800 0.027 0.000 1.101 479 F CA 0.028 58.085 58.000 0.096 0.000 1.177 479 F CB 0.780 39.893 39.000 0.189 0.000 1.110 479 F HN -0.067 nan 8.300 nan 0.000 0.522 480 Q N 1.822 121.658 119.800 0.059 0.000 2.668 480 Q HA 0.410 4.746 4.340 -0.006 0.000 0.298 480 Q C -1.141 174.824 176.000 -0.058 0.000 1.071 480 Q CA -1.306 54.484 55.803 -0.022 0.000 0.789 480 Q CB 3.025 31.695 28.738 -0.112 0.000 1.497 480 Q HN 0.633 nan 8.270 nan 0.000 0.460 481 N N 0.343 118.983 118.700 -0.100 0.000 2.225 481 N HA 0.275 5.012 4.740 -0.006 0.000 0.298 481 N C -1.548 173.855 175.510 -0.179 0.000 1.076 481 N CA -0.412 52.575 53.050 -0.104 0.000 0.792 481 N CB 1.249 39.696 38.487 -0.066 0.000 1.498 481 N HN 0.277 nan 8.380 nan 0.000 0.474 482 K N 2.632 122.927 120.400 -0.176 0.000 2.803 482 K HA 0.178 4.495 4.320 -0.006 0.000 0.229 482 K C -1.037 175.544 176.600 -0.033 0.000 1.084 482 K CA -0.457 55.679 56.287 -0.252 0.000 1.063 482 K CB 1.106 33.206 32.500 -0.666 0.000 1.254 482 K HN 0.555 nan 8.250 nan 0.000 0.551 483 T N 2.092 116.652 114.554 0.011 0.000 2.908 483 T HA 0.052 4.398 4.350 -0.006 0.000 0.301 483 T C 0.817 175.632 174.700 0.191 0.000 1.019 483 T CA 0.430 62.594 62.100 0.107 0.000 1.152 483 T CB 0.210 69.150 68.868 0.121 0.000 0.966 483 T HN 0.353 nan 8.240 nan 0.000 0.540 484 N N 0.698 119.538 118.700 0.233 0.000 2.231 484 N HA 0.392 5.128 4.740 -0.006 0.000 0.223 484 N C 0.514 176.214 175.510 0.315 0.000 1.329 484 N CA -0.144 53.086 53.050 0.300 0.000 0.889 484 N CB 0.358 38.962 38.487 0.195 0.000 1.125 484 N HN 0.753 nan 8.380 nan 0.000 0.447 485 G N -0.829 108.168 108.800 0.328 0.000 2.645 485 G HA2 0.610 4.566 3.960 -0.006 0.000 0.292 485 G HA3 0.610 4.566 3.960 -0.006 0.000 0.292 485 G C -1.464 173.577 174.900 0.234 0.000 1.415 485 G CA -0.756 44.522 45.100 0.297 0.000 0.785 485 G HN 0.595 nan 8.290 nan 0.000 0.483 486 I N -2.391 118.303 120.570 0.207 0.000 2.934 486 I HA 0.756 4.923 4.170 -0.006 0.000 0.306 486 I C -0.239 176.046 176.117 0.280 0.000 1.110 486 I CA -0.995 60.420 61.300 0.192 0.000 1.019 486 I CB 2.433 40.428 38.000 -0.008 0.000 1.227 486 I HN 0.492 nan 8.210 nan 0.000 0.434 487 T N 3.642 118.420 114.554 0.373 0.000 2.794 487 T HA 0.387 4.733 4.350 -0.006 0.000 0.296 487 T C -1.539 173.289 174.700 0.213 0.000 0.949 487 T CA -1.717 60.525 62.100 0.237 0.000 1.101 487 T CB 0.873 69.830 68.868 0.149 0.000 0.905 487 T HN 0.603 nan 8.240 nan 0.000 0.516 488 P HA 0.028 nan 4.420 nan 0.000 0.230 488 P C 1.096 178.380 177.300 -0.027 0.000 1.158 488 P CA 0.455 63.602 63.100 0.078 0.000 0.769 488 P CB 0.329 32.058 31.700 0.048 0.000 0.807 489 R N 0.204 120.645 120.500 -0.099 0.000 2.060 489 R HA 0.040 4.376 4.340 -0.006 0.000 0.225 489 R C 2.660 178.856 176.300 -0.173 0.000 1.155 489 R CA 1.453 57.450 56.100 -0.170 0.000 0.930 489 R CB -1.250 28.955 30.300 -0.158 0.000 0.829 489 R HN 0.016 nan 8.270 nan 0.000 0.433 490 R N -0.674 119.669 120.500 -0.262 0.000 2.081 490 R HA -0.128 4.209 4.340 -0.006 0.000 0.235 490 R C 1.127 177.081 176.300 -0.577 0.000 1.131 490 R CA 1.723 57.512 56.100 -0.519 0.000 0.960 490 R CB -0.230 29.581 30.300 -0.815 0.000 0.856 490 R HN 0.304 nan 8.270 nan 0.000 0.436 491 W N -0.086 121.181 121.300 -0.055 0.000 3.405 491 W HA 0.135 4.790 4.660 -0.007 0.000 0.300 491 W C 0.920 177.418 176.519 -0.035 0.000 1.286 491 W CA -0.668 56.644 57.345 -0.056 0.000 1.762 491 W CB 0.378 29.810 29.460 -0.046 0.000 1.087 491 W HN 0.260 nan 8.180 nan 0.000 0.703 492 L N -2.643 118.641 121.223 0.102 0.000 2.024 492 L HA 0.155 4.491 4.340 -0.006 0.000 0.137 492 L C 1.671 178.565 176.870 0.041 0.000 1.357 492 L CA 0.712 55.610 54.840 0.096 0.000 1.059 492 L CB -0.859 41.284 42.059 0.140 0.000 2.165 492 L HN -0.265 nan 8.230 nan 0.000 0.478 493 V N 1.746 121.663 119.914 0.005 0.000 2.287 493 V HA -0.258 3.858 4.120 -0.006 0.000 0.248 493 V C 2.515 178.586 176.094 -0.038 0.000 1.053 493 V CA 2.342 64.633 62.300 -0.016 0.000 1.027 493 V CB -0.662 31.117 31.823 -0.073 0.000 0.646 493 V HN 0.382 nan 8.190 nan 0.000 0.447 494 L N 0.496 121.666 121.223 -0.088 0.000 1.993 494 L HA -0.162 4.174 4.340 -0.006 0.000 0.206 494 L C 2.859 179.671 176.870 -0.097 0.000 1.074 494 L CA 2.209 56.981 54.840 -0.113 0.000 0.746 494 L CB -1.236 40.703 42.059 -0.200 0.000 0.896 494 L HN 0.640 nan 8.230 nan 0.000 0.435 495 C N -1.558 117.673 119.300 -0.115 0.000 2.448 495 C HA 0.025 4.481 4.460 -0.006 0.000 0.280 495 C C 1.336 176.314 174.990 -0.020 0.000 1.398 495 C CA 0.026 58.998 59.018 -0.077 0.000 1.774 495 C CB -0.970 26.726 27.740 -0.073 0.000 1.888 495 C HN 0.519 nan 8.230 nan 0.000 0.519 496 N N 1.045 119.745 118.700 -0.000 0.000 2.733 496 N HA 0.289 5.025 4.740 -0.006 0.000 0.271 496 N C -1.766 173.758 175.510 0.025 0.000 1.720 496 N CA -1.620 51.441 53.050 0.018 0.000 0.803 496 N CB 0.798 39.304 38.487 0.033 0.000 1.208 496 N HN 0.270 nan 8.380 nan 0.000 0.498 497 P HA -0.054 nan 4.420 nan 0.000 0.218 497 P C 1.375 178.692 177.300 0.029 0.000 1.149 497 P CA 0.917 64.031 63.100 0.023 0.000 0.817 497 P CB 0.274 31.980 31.700 0.011 0.000 0.785 498 G N 0.582 109.394 108.800 0.019 0.000 2.418 498 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.217 498 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.217 498 G C 1.519 176.426 174.900 0.012 0.000 1.158 498 G CA 0.636 45.744 45.100 0.012 0.000 0.771 498 G HN 0.240 nan 8.290 nan 0.000 0.545 499 L N 1.303 122.535 121.223 0.015 0.000 2.072 499 L HA 0.278 4.615 4.340 -0.006 0.000 0.205 499 L C 3.038 179.936 176.870 0.046 0.000 1.079 499 L CA 1.983 56.830 54.840 0.012 0.000 0.752 499 L CB -0.808 41.259 42.059 0.014 0.000 0.906 499 L HN 0.226 nan 8.230 nan 0.000 0.436 500 A N -0.888 121.982 122.820 0.083 0.000 1.978 500 A HA -0.238 4.078 4.320 -0.006 0.000 0.220 500 A C 2.233 179.915 177.584 0.163 0.000 1.170 500 A CA 1.772 53.910 52.037 0.169 0.000 0.636 500 A CB -0.590 18.511 19.000 0.168 0.000 0.810 500 A HN 0.534 nan 8.150 nan 0.000 0.448 501 E N 0.598 120.856 120.200 0.096 0.000 2.046 501 E HA -0.132 4.214 4.350 -0.006 0.000 0.190 501 E C 1.849 178.492 176.600 0.071 0.000 0.982 501 E CA 1.468 57.916 56.400 0.080 0.000 0.800 501 E CB -0.482 29.246 29.700 0.047 0.000 0.756 501 E HN 0.735 nan 8.360 nan 0.000 0.449 502 I N -1.731 118.874 120.570 0.059 0.000 2.493 502 I HA -0.121 4.046 4.170 -0.006 0.000 0.254 502 I C 2.115 178.318 176.117 0.142 0.000 1.160 502 I CA 1.055 62.407 61.300 0.086 0.000 1.445 502 I CB -0.305 37.720 38.000 0.042 0.000 1.086 502 I HN 0.014 nan 8.210 nan 0.000 0.433 503 I N 1.845 122.469 120.570 0.091 0.000 2.286 503 I HA -0.168 3.998 4.170 -0.006 0.000 0.245 503 I C 2.976 179.057 176.117 -0.060 0.000 1.104 503 I CA 1.276 62.558 61.300 -0.030 0.000 1.397 503 I CB -0.384 37.463 38.000 -0.254 0.000 1.072 503 I HN 0.301 nan 8.210 nan 0.000 0.417 504 A N 0.235 123.112 122.820 0.095 0.000 1.972 504 A HA -0.216 4.101 4.320 -0.006 0.000 0.219 504 A C 2.149 179.775 177.584 0.071 0.000 1.169 504 A CA 1.463 53.610 52.037 0.184 0.000 0.635 504 A CB -0.557 18.581 19.000 0.230 0.000 0.810 504 A HN 0.417 nan 8.150 nan 0.000 0.446 505 E N -0.762 119.459 120.200 0.035 0.000 2.160 505 E HA -0.213 4.134 4.350 -0.006 0.000 0.195 505 E C 2.164 178.736 176.600 -0.047 0.000 0.991 505 E CA 1.137 57.539 56.400 0.004 0.000 0.810 505 E CB -0.004 29.700 29.700 0.007 0.000 0.742 505 E HN 0.409 nan 8.360 nan 0.000 0.466 506 R N -0.075 120.348 120.500 -0.128 0.000 2.103 506 R HA 0.093 4.429 4.340 -0.006 0.000 0.212 506 R C 2.285 178.540 176.300 -0.075 0.000 1.107 506 R CA 0.783 56.752 56.100 -0.219 0.000 1.025 506 R CB -0.393 29.488 30.300 -0.698 0.000 0.929 506 R HN 0.316 nan 8.270 nan 0.000 0.456 507 I N -2.669 117.870 120.570 -0.051 0.000 4.025 507 I HA 0.444 4.610 4.170 -0.006 0.000 0.336 507 I C 0.453 176.631 176.117 0.102 0.000 1.390 507 I CA 0.126 61.445 61.300 0.032 0.000 1.099 507 I CB 0.552 38.563 38.000 0.018 0.000 1.049 507 I HN 0.173 nan 8.210 nan 0.000 0.394 508 G N 2.228 111.095 108.800 0.112 0.000 2.681 508 G HA2 -0.233 3.723 3.960 -0.006 0.000 0.220 508 G HA3 -0.233 3.723 3.960 -0.006 0.000 0.220 508 G C -0.015 175.021 174.900 0.226 0.000 1.353 508 G CA 0.227 45.408 45.100 0.133 0.000 0.872 508 G HN 0.477 nan 8.290 nan 0.000 0.557 509 E N -0.061 120.209 120.200 0.118 0.000 2.481 509 E HA 0.122 4.468 4.350 -0.006 0.000 0.198 509 E C 1.948 178.473 176.600 -0.126 0.000 1.027 509 E CA 0.289 56.679 56.400 -0.016 0.000 0.900 509 E CB 0.329 30.025 29.700 -0.006 0.000 0.993 509 E HN 0.625 nan 8.360 nan 0.000 0.482 510 E N 0.515 120.724 120.200 0.014 0.000 2.171 510 E HA -0.232 4.114 4.350 -0.006 0.000 0.197 510 E C 1.747 178.332 176.600 -0.025 0.000 0.997 510 E CA 1.341 57.747 56.400 0.011 0.000 0.810 510 E CB -0.224 29.511 29.700 0.059 0.000 0.738 510 E HN 0.504 nan 8.360 nan 0.000 0.467 511 Y N -0.321 119.985 120.300 0.011 0.000 2.333 511 Y HA -0.120 4.427 4.550 -0.005 0.000 0.290 511 Y C 1.854 177.733 175.900 -0.035 0.000 1.144 511 Y CA 0.669 58.767 58.100 -0.003 0.000 1.228 511 Y CB -0.661 37.803 38.460 0.006 0.000 0.985 511 Y HN -0.072 nan 8.280 nan 0.000 0.542 512 I N 0.990 121.034 120.570 -0.875 0.000 2.315 512 I HA -0.265 3.901 4.170 -0.006 0.000 0.251 512 I C 1.635 177.503 176.117 -0.415 0.000 1.125 512 I CA 1.954 62.819 61.300 -0.724 0.000 1.392 512 I CB -0.422 37.053 38.000 -0.875 0.000 1.065 512 I HN 0.509 nan 8.210 nan 0.000 0.424 513 S N -1.899 113.663 115.700 -0.231 0.000 2.843 513 S HA 0.232 4.698 4.470 -0.006 0.000 0.249 513 S C -0.011 174.576 174.600 -0.021 0.000 1.047 513 S CA -0.562 57.581 58.200 -0.095 0.000 1.042 513 S CB 0.318 63.526 63.200 0.013 0.000 0.936 513 S HN 0.313 nan 8.310 nan 0.000 0.531 514 D N 0.556 120.951 120.400 -0.008 0.000 3.449 514 D HA 0.177 4.813 4.640 -0.006 0.000 0.262 514 D C 0.478 176.823 176.300 0.075 0.000 1.343 514 D CA -0.339 53.679 54.000 0.031 0.000 0.787 514 D CB 0.069 40.891 40.800 0.036 0.000 1.412 514 D HN 0.147 nan 8.370 nan 0.000 0.652 515 L N 0.797 122.066 121.223 0.078 0.000 2.263 515 L HA -0.067 4.269 4.340 -0.006 0.000 0.216 515 L C 1.427 178.348 176.870 0.086 0.000 1.111 515 L CA 1.658 56.571 54.840 0.121 0.000 0.773 515 L CB -0.128 41.992 42.059 0.101 0.000 0.906 515 L HN 0.256 nan 8.230 nan 0.000 0.439 516 D N -0.959 119.467 120.400 0.044 0.000 2.309 516 D HA -0.185 4.452 4.640 -0.006 0.000 0.212 516 D C 1.947 178.268 176.300 0.035 0.000 0.968 516 D CA 0.648 54.660 54.000 0.019 0.000 0.882 516 D CB 0.048 40.845 40.800 -0.005 0.000 0.918 516 D HN 0.544 nan 8.370 nan 0.000 0.503 517 Q N -0.104 119.736 119.800 0.067 0.000 2.437 517 Q HA -0.012 4.324 4.340 -0.006 0.000 0.210 517 Q C 2.139 178.166 176.000 0.046 0.000 0.972 517 Q CA 0.182 56.027 55.803 0.070 0.000 0.903 517 Q CB 0.113 28.923 28.738 0.120 0.000 0.967 517 Q HN 0.386 nan 8.270 nan 0.000 0.486 518 L N 0.123 121.367 121.223 0.036 0.000 2.353 518 L HA -0.157 4.179 4.340 -0.006 0.000 0.220 518 L C 2.249 179.123 176.870 0.006 0.000 1.133 518 L CA 0.707 55.537 54.840 -0.016 0.000 0.798 518 L CB -0.290 41.769 42.059 0.000 0.000 0.922 518 L HN 0.203 nan 8.230 nan 0.000 0.445 519 R N 0.437 120.946 120.500 0.016 0.000 2.159 519 R HA -0.175 4.162 4.340 -0.006 0.000 0.237 519 R C 2.038 178.340 176.300 0.004 0.000 1.131 519 R CA 1.040 57.147 56.100 0.012 0.000 0.982 519 R CB -0.217 30.085 30.300 0.003 0.000 0.868 519 R HN 0.414 nan 8.270 nan 0.000 0.453 520 K N 0.617 121.020 120.400 0.004 0.000 2.281 520 K HA -0.097 4.219 4.320 -0.006 0.000 0.203 520 K C 1.857 178.469 176.600 0.020 0.000 1.046 520 K CA 0.836 57.123 56.287 0.000 0.000 0.938 520 K CB -0.090 32.422 32.500 0.021 0.000 0.737 520 K HN 0.212 nan 8.250 nan 0.000 0.458 521 L N 0.805 122.053 121.223 0.042 0.000 2.465 521 L HA -0.088 4.248 4.340 -0.006 0.000 0.224 521 L C 1.871 178.800 176.870 0.098 0.000 1.145 521 L CA 0.408 55.309 54.840 0.102 0.000 0.834 521 L CB -0.288 41.808 42.059 0.063 0.000 0.944 521 L HN 0.207 nan 8.230 nan 0.000 0.451 522 L N -0.967 120.271 121.223 0.025 0.000 2.275 522 L HA -0.149 4.187 4.340 -0.006 0.000 0.215 522 L C 2.380 179.208 176.870 -0.070 0.000 1.119 522 L CA 0.619 55.461 54.840 0.005 0.000 0.790 522 L CB -0.320 41.734 42.059 -0.009 0.000 0.919 522 L HN 0.192 nan 8.230 nan 0.000 0.443 523 S N -1.176 114.402 115.700 -0.204 0.000 2.547 523 S HA -0.096 4.370 4.470 -0.006 0.000 0.235 523 S C 0.906 175.153 174.600 -0.589 0.000 0.980 523 S CA 0.790 58.729 58.200 -0.435 0.000 0.941 523 S CB -0.154 62.654 63.200 -0.654 0.000 0.763 523 S HN 0.432 nan 8.310 nan 0.000 0.532 524 Y N -0.230 120.011 120.300 -0.098 0.000 2.584 524 Y HA 0.228 4.776 4.550 -0.004 0.000 0.254 524 Y C 1.733 177.680 175.900 0.078 0.000 1.177 524 Y CA -0.632 57.428 58.100 -0.067 0.000 1.216 524 Y CB -0.359 37.909 38.460 -0.319 0.000 1.172 524 Y HN 0.126 nan 8.280 nan 0.000 0.529 525 V N -2.552 117.447 119.914 0.141 0.000 2.688 525 V HA -0.196 3.920 4.120 -0.006 0.000 0.256 525 V C 0.810 176.971 176.094 0.111 0.000 1.084 525 V CA 2.030 64.410 62.300 0.133 0.000 1.103 525 V CB -0.081 31.782 31.823 0.066 0.000 0.688 525 V HN 0.278 nan 8.190 nan 0.000 0.480 526 D N -0.519 119.934 120.400 0.088 0.000 2.431 526 D HA 0.136 4.772 4.640 -0.006 0.000 0.213 526 D C 0.278 176.634 176.300 0.093 0.000 1.130 526 D CA 0.053 54.094 54.000 0.070 0.000 0.834 526 D CB 0.237 41.055 40.800 0.029 0.000 0.985 526 D HN 0.506 nan 8.370 nan 0.000 0.504 527 D N 1.976 122.473 120.400 0.161 0.000 2.336 527 D HA -0.016 4.620 4.640 -0.006 0.000 0.249 527 D C 1.171 177.580 176.300 0.181 0.000 1.213 527 D CA 0.009 54.127 54.000 0.197 0.000 0.870 527 D CB 1.204 42.216 40.800 0.354 0.000 1.076 527 D HN -0.105 nan 8.370 nan 0.000 0.483 528 E N 2.946 123.216 120.200 0.117 0.000 2.160 528 E HA -0.186 4.160 4.350 -0.006 0.000 0.195 528 E C 1.633 178.285 176.600 0.086 0.000 0.991 528 E CA 0.861 57.312 56.400 0.085 0.000 0.810 528 E CB -0.100 29.634 29.700 0.056 0.000 0.742 528 E HN 0.632 nan 8.360 nan 0.000 0.466 529 A N 0.765 123.650 122.820 0.108 0.000 1.872 529 A HA -0.128 4.188 4.320 -0.006 0.000 0.214 529 A C 2.054 179.711 177.584 0.122 0.000 1.187 529 A CA 0.921 53.014 52.037 0.094 0.000 0.614 529 A CB -0.736 18.318 19.000 0.091 0.000 0.826 529 A HN 0.214 nan 8.150 nan 0.000 0.442 530 F N 0.697 120.641 119.950 -0.009 0.000 2.134 530 F HA -0.133 4.391 4.527 -0.005 0.000 0.299 530 F C 1.993 177.787 175.800 -0.009 0.000 1.097 530 F CA 1.332 59.307 58.000 -0.042 0.000 1.264 530 F CB -0.312 38.655 39.000 -0.056 0.000 1.001 530 F HN 0.167 nan 8.300 nan 0.000 0.479 531 I N -0.143 120.466 120.570 0.065 0.000 2.286 531 I HA -0.317 3.850 4.170 -0.006 0.000 0.248 531 I C 2.727 178.799 176.117 -0.075 0.000 1.115 531 I CA 1.494 62.779 61.300 -0.025 0.000 1.392 531 I CB -0.524 37.502 38.000 0.043 0.000 1.065 531 I HN 0.083 nan 8.210 nan 0.000 0.418 532 R N 0.972 121.447 120.500 -0.042 0.000 2.075 532 R HA -0.186 4.151 4.340 -0.006 0.000 0.232 532 R C 1.682 177.930 176.300 -0.086 0.000 1.126 532 R CA 1.983 58.054 56.100 -0.047 0.000 0.963 532 R CB -0.216 30.074 30.300 -0.017 0.000 0.858 532 R HN 0.285 nan 8.270 nan 0.000 0.435 533 D N 0.142 120.470 120.400 -0.121 0.000 2.144 533 D HA -0.095 4.542 4.640 -0.006 0.000 0.200 533 D C 1.994 178.157 176.300 -0.228 0.000 0.978 533 D CA 0.902 54.811 54.000 -0.151 0.000 0.833 533 D CB -0.086 40.637 40.800 -0.128 0.000 0.961 533 D HN 0.080 nan 8.370 nan 0.000 0.470 534 V N 1.392 121.083 119.914 -0.372 0.000 2.343 534 V HA -0.226 3.890 4.120 -0.006 0.000 0.247 534 V C 2.489 178.488 176.094 -0.159 0.000 1.051 534 V CA 1.843 63.937 62.300 -0.344 0.000 1.036 534 V CB -0.703 30.858 31.823 -0.437 0.000 0.654 534 V HN 0.189 nan 8.190 nan 0.000 0.451 535 A N -0.389 122.360 122.820 -0.120 0.000 1.929 535 A HA -0.211 4.105 4.320 -0.006 0.000 0.216 535 A C 2.339 179.883 177.584 -0.066 0.000 1.176 535 A CA 1.908 53.906 52.037 -0.065 0.000 0.628 535 A CB -0.415 18.551 19.000 -0.056 0.000 0.816 535 A HN 0.534 nan 8.150 nan 0.000 0.444 536 K N -0.134 120.222 120.400 -0.074 0.000 2.025 536 K HA -0.083 4.233 4.320 -0.006 0.000 0.207 536 K C 1.793 178.364 176.600 -0.049 0.000 1.049 536 K CA 1.598 57.851 56.287 -0.056 0.000 0.933 536 K CB -0.273 32.196 32.500 -0.052 0.000 0.714 536 K HN 0.195 nan 8.250 nan 0.000 0.438 537 V N 1.831 121.709 119.914 -0.060 0.000 2.295 537 V HA -0.249 3.867 4.120 -0.006 0.000 0.246 537 V C 2.431 178.509 176.094 -0.026 0.000 1.049 537 V CA 2.138 64.413 62.300 -0.043 0.000 1.024 537 V CB -0.482 31.307 31.823 -0.057 0.000 0.648 537 V HN 0.394 nan 8.190 nan 0.000 0.447 538 K N 0.305 120.688 120.400 -0.029 0.000 2.057 538 K HA -0.229 4.087 4.320 -0.006 0.000 0.207 538 K C 2.141 178.719 176.600 -0.037 0.000 1.049 538 K CA 1.717 57.996 56.287 -0.013 0.000 0.931 538 K CB -0.469 32.038 32.500 0.012 0.000 0.714 538 K HN 0.333 nan 8.250 nan 0.000 0.440 539 Q N 0.954 120.723 119.800 -0.053 0.000 2.167 539 Q HA -0.078 4.258 4.340 -0.006 0.000 0.202 539 Q C 1.572 177.552 176.000 -0.033 0.000 0.970 539 Q CA 1.730 57.490 55.803 -0.070 0.000 0.855 539 Q CB -0.014 28.684 28.738 -0.067 0.000 0.911 539 Q HN 0.525 nan 8.270 nan 0.000 0.438 540 E N -0.602 119.590 120.200 -0.013 0.000 2.072 540 E HA -0.131 4.215 4.350 -0.006 0.000 0.191 540 E C 1.611 178.235 176.600 0.040 0.000 0.985 540 E CA 0.960 57.366 56.400 0.011 0.000 0.801 540 E CB 0.011 29.714 29.700 0.006 0.000 0.750 540 E HN 0.392 nan 8.360 nan 0.000 0.452 541 N N 0.924 119.648 118.700 0.040 0.000 2.188 541 N HA -0.127 4.610 4.740 -0.006 0.000 0.184 541 N C 1.435 177.034 175.510 0.149 0.000 1.018 541 N CA 0.993 54.092 53.050 0.081 0.000 0.858 541 N CB -0.074 38.447 38.487 0.056 0.000 0.989 541 N HN 0.101 nan 8.380 nan 0.000 0.426 542 K N 0.467 120.922 120.400 0.092 0.000 2.097 542 K HA 0.050 4.366 4.320 -0.006 0.000 0.205 542 K C 1.999 178.739 176.600 0.233 0.000 1.050 542 K CA 0.583 56.956 56.287 0.144 0.000 0.938 542 K CB -0.047 32.283 32.500 -0.284 0.000 0.718 542 K HN 0.123 nan 8.250 nan 0.000 0.442 543 L N 0.856 122.151 121.223 0.120 0.000 2.072 543 L HA -0.143 4.193 4.340 -0.006 0.000 0.205 543 L C 2.565 179.521 176.870 0.143 0.000 1.079 543 L CA 1.148 56.056 54.840 0.114 0.000 0.752 543 L CB -0.282 41.814 42.059 0.061 0.000 0.906 543 L HN 0.134 nan 8.230 nan 0.000 0.436 544 K N -0.104 120.386 120.400 0.150 0.000 2.057 544 K HA -0.229 4.087 4.320 -0.006 0.000 0.207 544 K C 2.187 178.918 176.600 0.219 0.000 1.049 544 K CA 1.524 57.904 56.287 0.154 0.000 0.931 544 K CB -0.128 32.452 32.500 0.132 0.000 0.714 544 K HN 0.079 nan 8.250 nan 0.000 0.440 545 F N 1.154 121.191 119.950 0.145 0.000 2.186 545 F HA -0.059 4.464 4.527 -0.006 0.000 0.299 545 F C 1.928 177.855 175.800 0.211 0.000 1.090 545 F CA 1.201 59.306 58.000 0.175 0.000 1.307 545 F CB -0.323 38.780 39.000 0.172 0.000 1.019 545 F HN 0.056 nan 8.300 nan 0.000 0.489 546 A N 0.127 123.043 122.820 0.159 0.000 1.969 546 A HA 0.019 4.335 4.320 -0.006 0.000 0.218 546 A C 2.376 179.939 177.584 -0.034 0.000 1.169 546 A CA 1.464 53.516 52.037 0.024 0.000 0.635 546 A CB -1.385 17.691 19.000 0.126 0.000 0.810 546 A HN 0.438 nan 8.150 nan 0.000 0.445 547 A N -1.464 121.376 122.820 0.033 0.000 1.929 547 A HA -0.035 4.281 4.320 -0.006 0.000 0.216 547 A C 2.093 179.686 177.584 0.015 0.000 1.176 547 A CA 1.475 53.532 52.037 0.034 0.000 0.628 547 A CB -0.724 18.316 19.000 0.066 0.000 0.816 547 A HN 0.747 nan 8.150 nan 0.000 0.444 548 Y N 0.333 120.562 120.300 -0.119 0.000 2.163 548 Y HA -0.104 4.443 4.550 -0.006 0.000 0.288 548 Y C 1.877 177.694 175.900 -0.138 0.000 1.136 548 Y CA 1.755 59.783 58.100 -0.121 0.000 1.147 548 Y CB -0.248 38.133 38.460 -0.131 0.000 0.987 548 Y HN 0.183 nan 8.280 nan 0.000 0.509 549 L N 0.182 121.243 121.223 -0.270 0.000 2.201 549 L HA -0.162 4.174 4.340 -0.006 0.000 0.212 549 L C 2.372 179.161 176.870 -0.135 0.000 1.105 549 L CA 1.660 56.352 54.840 -0.246 0.000 0.775 549 L CB -0.383 41.486 42.059 -0.316 0.000 0.913 549 L HN 0.280 nan 8.230 nan 0.000 0.440 550 E N 0.461 120.595 120.200 -0.111 0.000 2.046 550 E HA -0.216 4.130 4.350 -0.006 0.000 0.190 550 E C 2.229 178.782 176.600 -0.078 0.000 0.982 550 E CA 1.152 57.525 56.400 -0.046 0.000 0.800 550 E CB 0.000 29.701 29.700 0.002 0.000 0.756 550 E HN 0.185 nan 8.360 nan 0.000 0.449 551 R N 0.094 120.523 120.500 -0.119 0.000 2.070 551 R HA -0.125 4.211 4.340 -0.006 0.000 0.232 551 R C 1.907 178.070 176.300 -0.228 0.000 1.138 551 R CA 1.765 57.782 56.100 -0.138 0.000 0.936 551 R CB -0.149 30.083 30.300 -0.114 0.000 0.839 551 R HN 0.109 nan 8.270 nan 0.000 0.429 552 E N -0.622 119.333 120.200 -0.408 0.000 2.158 552 E HA -0.125 4.221 4.350 -0.006 0.000 0.191 552 E C 1.141 177.314 176.600 -0.712 0.000 0.982 552 E CA 1.173 57.203 56.400 -0.618 0.000 0.823 552 E CB 0.133 29.246 29.700 -0.979 0.000 0.766 552 E HN 0.535 nan 8.360 nan 0.000 0.468 553 Y N -0.225 119.928 120.300 -0.245 0.000 2.527 553 Y HA 0.236 4.783 4.550 -0.006 0.000 0.247 553 Y C 0.168 176.021 175.900 -0.079 0.000 1.138 553 Y CA -0.595 57.429 58.100 -0.127 0.000 1.228 553 Y CB 0.756 39.152 38.460 -0.105 0.000 1.252 553 Y HN -0.267 nan 8.280 nan 0.000 0.531 554 K N 0.611 121.019 120.400 0.014 0.000 3.077 554 K HA -0.136 4.180 4.320 -0.006 0.000 0.264 554 K C -0.904 175.730 176.600 0.056 0.000 1.008 554 K CA 0.340 56.640 56.287 0.022 0.000 0.740 554 K CB -1.899 30.611 32.500 0.016 0.000 1.273 554 K HN 0.124 nan 8.250 nan 0.000 0.477 555 V N 1.252 121.197 119.914 0.051 0.000 2.459 555 V HA 0.242 4.358 4.120 -0.006 0.000 0.295 555 V C 0.433 176.555 176.094 0.046 0.000 1.029 555 V CA -0.811 61.519 62.300 0.049 0.000 0.874 555 V CB 1.864 33.696 31.823 0.015 0.000 0.985 555 V HN 0.316 nan 8.190 nan 0.000 0.438 556 H N 6.308 125.370 119.070 -0.013 0.000 2.488 556 H HA 0.616 5.168 4.556 -0.006 0.000 0.322 556 H C -0.860 174.461 175.328 -0.011 0.000 1.078 556 H CA -0.445 55.599 56.048 -0.008 0.000 1.260 556 H CB 1.526 31.290 29.762 0.004 0.000 1.425 556 H HN 0.725 nan 8.280 nan 0.000 0.471 557 I N 2.145 122.372 120.570 -0.572 0.000 2.689 557 I HA 0.330 4.497 4.170 -0.006 0.000 0.299 557 I C -0.311 175.588 176.117 -0.362 0.000 1.059 557 I CA -1.255 59.833 61.300 -0.354 0.000 1.055 557 I CB 1.991 39.863 38.000 -0.213 0.000 1.243 557 I HN 0.360 nan 8.210 nan 0.000 0.425 558 N N 6.999 125.637 118.700 -0.105 0.000 2.416 558 N HA 0.202 4.938 4.740 -0.006 0.000 0.265 558 N C -1.588 174.017 175.510 0.159 0.000 1.195 558 N CA -2.144 50.923 53.050 0.029 0.000 0.943 558 N CB 0.815 39.344 38.487 0.069 0.000 1.115 558 N HN 0.485 nan 8.380 nan 0.000 0.481 559 P HA -0.066 nan 4.420 nan 0.000 0.223 559 P C -0.641 176.632 177.300 -0.045 0.000 1.151 559 P CA 1.012 64.166 63.100 0.090 0.000 0.787 559 P CB 0.194 31.926 31.700 0.053 0.000 0.788 560 N N 0.297 119.001 118.700 0.006 0.000 3.228 560 N HA 0.211 4.947 4.740 -0.006 0.000 0.289 560 N C -0.484 175.031 175.510 0.009 0.000 1.419 560 N CA -0.263 52.779 53.050 -0.013 0.000 1.088 560 N CB 0.289 38.783 38.487 0.012 0.000 1.357 560 N HN 0.108 nan 8.380 nan 0.000 0.504 561 S N -0.624 115.062 115.700 -0.022 0.000 2.607 561 S HA 0.398 4.864 4.470 -0.006 0.000 0.273 561 S C -0.942 173.559 174.600 -0.165 0.000 1.148 561 S CA -1.065 57.116 58.200 -0.032 0.000 0.833 561 S CB 1.209 64.450 63.200 0.069 0.000 1.130 561 S HN 0.255 nan 8.310 nan 0.000 0.470 562 L N 2.083 123.076 121.223 -0.383 0.000 2.313 562 L HA 0.497 4.833 4.340 -0.006 0.000 0.282 562 L C -1.236 175.566 176.870 -0.114 0.000 1.092 562 L CA -0.686 53.729 54.840 -0.710 0.000 0.831 562 L CB -0.074 41.295 42.059 -1.149 0.000 1.159 562 L HN 0.679 nan 8.230 nan 0.000 0.442 563 F N 3.730 123.519 119.950 -0.268 0.000 2.439 563 F HA 0.177 4.700 4.527 -0.005 0.000 0.356 563 F C 0.446 176.159 175.800 -0.146 0.000 1.161 563 F CA -0.920 56.991 58.000 -0.149 0.000 1.151 563 F CB 0.032 38.988 39.000 -0.073 0.000 1.222 563 F HN 0.444 nan 8.300 nan 0.000 0.558 564 D N 4.027 124.421 120.400 -0.010 0.000 2.396 564 D HA 0.355 4.992 4.640 -0.006 0.000 0.225 564 D C -0.957 175.279 176.300 -0.106 0.000 1.121 564 D CA -0.053 53.900 54.000 -0.080 0.000 0.853 564 D CB 0.947 41.686 40.800 -0.101 0.000 1.043 564 D HN 0.137 nan 8.370 nan 0.000 0.500 565 V N 4.427 124.264 119.914 -0.128 0.000 2.487 565 V HA 0.379 4.496 4.120 -0.006 0.000 0.298 565 V C -0.110 175.834 176.094 -0.250 0.000 1.028 565 V CA -0.860 61.348 62.300 -0.153 0.000 0.860 565 V CB 1.655 33.473 31.823 -0.009 0.000 0.991 565 V HN 0.500 nan 8.190 nan 0.000 0.427 566 Q N 3.744 123.411 119.800 -0.220 0.000 2.394 566 Q HA 0.630 4.966 4.340 -0.006 0.000 0.261 566 Q C -1.345 174.484 176.000 -0.285 0.000 1.023 566 Q CA -0.454 55.205 55.803 -0.240 0.000 0.720 566 Q CB 1.864 30.488 28.738 -0.190 0.000 1.241 566 Q HN 0.819 nan 8.270 nan 0.000 0.483 567 V N 1.568 121.298 119.914 -0.308 0.000 2.444 567 V HA 0.858 4.974 4.120 -0.006 0.000 0.294 567 V C -0.910 174.872 176.094 -0.521 0.000 1.022 567 V CA -0.571 61.330 62.300 -0.666 0.000 0.850 567 V CB 1.129 32.303 31.823 -1.081 0.000 0.992 567 V HN 0.806 nan 8.190 nan 0.000 0.426 568 K N 2.533 122.684 120.400 -0.416 0.000 2.931 568 K HA 0.462 4.779 4.320 -0.006 0.000 0.292 568 K C -1.247 175.346 176.600 -0.013 0.000 1.077 568 K CA -1.207 55.027 56.287 -0.090 0.000 0.829 568 K CB 0.921 33.371 32.500 -0.082 0.000 1.488 568 K HN 0.404 nan 8.250 nan 0.000 0.358 569 R N 1.121 121.673 120.500 0.086 0.000 2.570 569 R HA 0.157 4.494 4.340 -0.006 0.000 0.277 569 R C 0.305 176.623 176.300 0.031 0.000 1.039 569 R CA -0.346 55.815 56.100 0.103 0.000 1.065 569 R CB -0.165 30.236 30.300 0.167 0.000 0.964 569 R HN 0.481 nan 8.270 nan 0.000 0.428 570 I N 4.607 125.182 120.570 0.007 0.000 2.587 570 I HA 0.036 4.202 4.170 -0.006 0.000 0.284 570 I C 0.829 176.860 176.117 -0.144 0.000 1.134 570 I CA 0.804 62.060 61.300 -0.073 0.000 1.410 570 I CB -0.428 37.526 38.000 -0.077 0.000 1.392 570 I HN 0.299 nan 8.210 nan 0.000 0.545 571 H N 4.237 123.193 119.070 -0.191 0.000 3.046 571 H HA 0.241 4.793 4.556 -0.006 0.000 0.361 571 H C 0.403 175.587 175.328 -0.240 0.000 1.235 571 H CA -0.476 55.487 56.048 -0.141 0.000 1.146 571 H CB 1.994 31.568 29.762 -0.313 0.000 1.859 571 H HN 0.541 nan 8.280 nan 0.000 0.548 572 E N 1.178 121.446 120.200 0.112 0.000 2.107 572 E HA -0.168 4.178 4.350 -0.006 0.000 0.191 572 E C 1.338 177.654 176.600 -0.475 0.000 0.982 572 E CA 1.182 57.547 56.400 -0.059 0.000 0.809 572 E CB 0.069 29.908 29.700 0.231 0.000 0.756 572 E HN 0.526 nan 8.360 nan 0.000 0.459 573 Y N 0.629 120.330 120.300 -0.998 0.000 2.439 573 Y HA 0.021 4.567 4.550 -0.007 0.000 0.292 573 Y C 1.382 177.012 175.900 -0.450 0.000 1.130 573 Y CA 0.730 58.108 58.100 -1.204 0.000 1.254 573 Y CB -0.065 37.685 38.460 -1.184 0.000 1.000 573 Y HN -0.207 nan 8.280 nan 0.000 0.554 574 K N 0.838 120.755 120.400 -0.806 0.000 2.459 574 K HA 0.104 4.420 4.320 -0.006 0.000 0.193 574 K C 0.057 176.489 176.600 -0.280 0.000 1.030 574 K CA 0.309 56.265 56.287 -0.552 0.000 1.026 574 K CB -0.014 32.144 32.500 -0.570 0.000 0.809 574 K HN 0.232 nan 8.250 nan 0.000 0.504 575 R N 0.737 121.098 120.500 -0.231 0.000 3.264 575 R HA -0.236 4.100 4.340 -0.006 0.000 0.251 575 R C 0.258 176.482 176.300 -0.125 0.000 0.971 575 R CA 0.162 56.181 56.100 -0.135 0.000 0.658 575 R CB -1.754 28.488 30.300 -0.096 0.000 1.095 575 R HN 0.306 nan 8.270 nan 0.000 0.443 576 Q N 0.341 120.064 119.800 -0.127 0.000 2.226 576 Q HA -0.015 4.321 4.340 -0.006 0.000 0.204 576 Q C 2.039 177.994 176.000 -0.075 0.000 0.975 576 Q CA 1.275 57.016 55.803 -0.103 0.000 0.866 576 Q CB 0.075 28.755 28.738 -0.097 0.000 0.915 576 Q HN 0.581 nan 8.270 nan 0.000 0.440 577 L N -0.508 120.674 121.223 -0.069 0.000 2.083 577 L HA -0.180 4.156 4.340 -0.006 0.000 0.209 577 L C 2.001 178.880 176.870 0.015 0.000 1.083 577 L CA 0.546 55.360 54.840 -0.042 0.000 0.752 577 L CB -0.319 41.724 42.059 -0.026 0.000 0.899 577 L HN 0.318 nan 8.230 nan 0.000 0.433 578 L N -0.003 121.225 121.223 0.009 0.000 2.056 578 L HA -0.233 4.103 4.340 -0.006 0.000 0.207 578 L C 2.015 178.966 176.870 0.135 0.000 1.078 578 L CA 1.921 56.793 54.840 0.053 0.000 0.749 578 L CB -0.822 41.171 42.059 -0.111 0.000 0.901 578 L HN 0.270 nan 8.230 nan 0.000 0.433 579 N N -1.667 117.068 118.700 0.058 0.000 2.104 579 N HA -0.248 4.488 4.740 -0.006 0.000 0.190 579 N C 1.948 177.546 175.510 0.146 0.000 1.024 579 N CA 1.648 54.803 53.050 0.175 0.000 0.853 579 N CB -0.152 38.362 38.487 0.045 0.000 1.008 579 N HN 0.502 nan 8.380 nan 0.000 0.424 580 C N 0.427 119.750 119.300 0.037 0.000 2.413 580 C HA -0.074 4.382 4.460 -0.006 0.000 0.276 580 C C 2.582 177.577 174.990 0.008 0.000 1.248 580 C CA 0.401 59.392 59.018 -0.044 0.000 1.742 580 C CB -1.219 26.444 27.740 -0.129 0.000 2.017 580 C HN 0.502 nan 8.230 nan 0.000 0.481 581 L N -0.452 120.841 121.223 0.118 0.000 2.046 581 L HA -0.214 4.122 4.340 -0.006 0.000 0.208 581 L C 2.742 179.785 176.870 0.289 0.000 1.077 581 L CA 1.913 56.875 54.840 0.204 0.000 0.747 581 L CB -1.065 41.187 42.059 0.320 0.000 0.896 581 L HN 0.581 nan 8.230 nan 0.000 0.432 582 H N -0.102 119.093 119.070 0.208 0.000 2.321 582 H HA -0.155 4.397 4.556 -0.006 0.000 0.300 582 H C 2.264 177.591 175.328 -0.002 0.000 1.087 582 H CA 2.003 58.080 56.048 0.049 0.000 1.319 582 H CB 0.287 29.993 29.762 -0.093 0.000 1.379 582 H HN 0.095 nan 8.280 nan 0.000 0.501 583 V N 1.542 121.374 119.914 -0.136 0.000 2.332 583 V HA -0.285 3.831 4.120 -0.006 0.000 0.248 583 V C 2.785 178.813 176.094 -0.110 0.000 1.055 583 V CA 1.958 64.135 62.300 -0.205 0.000 1.038 583 V CB -0.496 31.252 31.823 -0.125 0.000 0.651 583 V HN 0.409 nan 8.190 nan 0.000 0.450 584 I N -0.340 120.210 120.570 -0.035 0.000 2.394 584 I HA -0.195 3.971 4.170 -0.006 0.000 0.251 584 I C 2.479 178.675 176.117 0.132 0.000 1.136 584 I CA 1.542 62.899 61.300 0.096 0.000 1.425 584 I CB -0.644 37.408 38.000 0.086 0.000 1.079 584 I HN 0.314 nan 8.210 nan 0.000 0.425 585 T N 1.479 116.068 114.554 0.057 0.000 2.708 585 T HA -0.130 4.216 4.350 -0.006 0.000 0.266 585 T C 1.984 176.659 174.700 -0.042 0.000 1.037 585 T CA 1.254 63.384 62.100 0.049 0.000 1.146 585 T CB -0.289 68.630 68.868 0.085 0.000 0.865 585 T HN 0.247 nan 8.240 nan 0.000 0.435 586 L N -0.333 120.790 121.223 -0.167 0.000 2.042 586 L HA -0.131 4.205 4.340 -0.006 0.000 0.210 586 L C 2.413 179.252 176.870 -0.051 0.000 1.076 586 L CA 1.728 56.462 54.840 -0.178 0.000 0.749 586 L CB -0.605 41.271 42.059 -0.304 0.000 0.893 586 L HN 0.306 nan 8.230 nan 0.000 0.432 587 Y N 1.333 121.581 120.300 -0.086 0.000 2.145 587 Y HA -0.247 4.299 4.550 -0.007 0.000 0.286 587 Y C 2.483 178.380 175.900 -0.006 0.000 1.145 587 Y CA 1.738 59.828 58.100 -0.018 0.000 1.148 587 Y CB -0.249 38.252 38.460 0.068 0.000 0.981 587 Y HN 0.197 nan 8.280 nan 0.000 0.507 588 N N 0.356 119.052 118.700 -0.006 0.000 2.188 588 N HA -0.123 4.613 4.740 -0.006 0.000 0.184 588 N C 1.876 177.293 175.510 -0.154 0.000 1.018 588 N CA 1.416 54.396 53.050 -0.117 0.000 0.858 588 N CB -0.335 38.153 38.487 0.002 0.000 0.989 588 N HN 0.425 nan 8.380 nan 0.000 0.426 589 R N 0.264 120.698 120.500 -0.111 0.000 2.092 589 R HA 0.117 4.453 4.340 -0.006 0.000 0.231 589 R C 2.171 178.392 176.300 -0.132 0.000 1.119 589 R CA 0.627 56.665 56.100 -0.104 0.000 0.970 589 R CB -0.178 30.072 30.300 -0.083 0.000 0.864 589 R HN 0.217 nan 8.270 nan 0.000 0.440 590 I N 0.822 121.291 120.570 -0.168 0.000 2.252 590 I HA -0.265 3.902 4.170 -0.006 0.000 0.245 590 I C 1.975 177.974 176.117 -0.197 0.000 1.102 590 I CA 1.155 62.352 61.300 -0.171 0.000 1.385 590 I CB -0.054 37.841 38.000 -0.174 0.000 1.064 590 I HN 0.013 nan 8.210 nan 0.000 0.414 591 K N 0.870 121.090 120.400 -0.300 0.000 2.148 591 K HA -0.139 4.177 4.320 -0.006 0.000 0.204 591 K C 2.014 178.512 176.600 -0.170 0.000 1.050 591 K CA 1.234 57.354 56.287 -0.278 0.000 0.942 591 K CB -0.274 31.976 32.500 -0.417 0.000 0.724 591 K HN 0.272 nan 8.250 nan 0.000 0.446 592 K N 0.792 121.102 120.400 -0.150 0.000 2.025 592 K HA -0.072 4.244 4.320 -0.006 0.000 0.207 592 K C 0.227 176.780 176.600 -0.079 0.000 1.049 592 K CA 1.097 57.322 56.287 -0.102 0.000 0.933 592 K CB 0.199 32.645 32.500 -0.089 0.000 0.714 592 K HN 0.137 nan 8.250 nan 0.000 0.438 593 E N 0.065 120.218 120.200 -0.079 0.000 2.873 593 E HA 0.096 4.442 4.350 -0.006 0.000 0.232 593 E C -2.210 174.355 176.600 -0.059 0.000 1.123 593 E CA -1.479 54.888 56.400 -0.056 0.000 0.809 593 E CB 1.442 31.117 29.700 -0.042 0.000 1.366 593 E HN 0.043 nan 8.360 nan 0.000 0.400 594 P HA -0.167 nan 4.420 nan 0.000 0.218 594 P C 0.538 177.820 177.300 -0.030 0.000 1.148 594 P CA 1.109 64.176 63.100 -0.054 0.000 0.822 594 P CB 0.332 32.002 31.700 -0.049 0.000 0.784 595 N N -0.466 118.225 118.700 -0.015 0.000 2.412 595 N HA -0.028 4.708 4.740 -0.006 0.000 0.184 595 N C 0.845 176.372 175.510 0.028 0.000 1.101 595 N CA 0.322 53.377 53.050 0.008 0.000 0.881 595 N CB 0.005 38.496 38.487 0.008 0.000 0.969 595 N HN 0.307 nan 8.380 nan 0.000 0.459 596 K N 1.082 121.491 120.400 0.015 0.000 2.339 596 K HA 0.040 4.357 4.320 -0.006 0.000 0.286 596 K C -0.579 176.058 176.600 0.062 0.000 1.050 596 K CA -0.429 55.883 56.287 0.042 0.000 0.956 596 K CB 0.410 32.917 32.500 0.012 0.000 0.990 596 K HN -0.155 nan 8.250 nan 0.000 0.475 597 F N 5.323 125.260 119.950 -0.022 0.000 2.518 597 F HA 0.193 4.716 4.527 -0.006 0.000 0.359 597 F C -0.509 175.276 175.800 -0.025 0.000 1.118 597 F CA -0.018 57.970 58.000 -0.021 0.000 1.287 597 F CB 0.663 39.654 39.000 -0.015 0.000 1.132 597 F HN 0.235 nan 8.300 nan 0.000 0.587 598 V N 3.896 123.221 119.914 -0.980 0.000 2.888 598 V HA 0.455 4.571 4.120 -0.006 0.000 0.309 598 V C -0.733 174.746 176.094 -1.025 0.000 1.114 598 V CA -1.281 60.601 62.300 -0.696 0.000 0.940 598 V CB 0.866 32.473 31.823 -0.360 0.000 1.021 598 V HN 0.618 nan 8.190 nan 0.000 0.426 599 V N 5.003 124.612 119.914 -0.509 0.000 2.458 599 V HA 0.153 4.269 4.120 -0.006 0.000 0.287 599 V C -1.790 174.128 176.094 -0.293 0.000 1.009 599 V CA -0.319 61.814 62.300 -0.279 0.000 1.091 599 V CB 0.304 32.083 31.823 -0.074 0.000 0.960 599 V HN 0.891 nan 8.190 nan 0.000 0.476 600 P HA 0.217 nan 4.420 nan 0.000 0.265 600 P C -0.285 176.908 177.300 -0.178 0.000 1.193 600 P CA 0.202 63.193 63.100 -0.182 0.000 0.765 600 P CB 0.471 32.112 31.700 -0.098 0.000 0.823 601 R N 1.226 121.637 120.500 -0.149 0.000 2.744 601 R HA 0.564 4.900 4.340 -0.006 0.000 0.279 601 R C -0.794 175.458 176.300 -0.080 0.000 0.977 601 R CA -0.616 55.399 56.100 -0.142 0.000 0.906 601 R CB 2.068 32.269 30.300 -0.165 0.000 1.197 601 R HN 0.293 nan 8.270 nan 0.000 0.463 602 T N 2.088 116.615 114.554 -0.045 0.000 2.864 602 T HA 0.239 4.585 4.350 -0.006 0.000 0.310 602 T C -0.473 174.145 174.700 -0.137 0.000 1.040 602 T CA -0.438 61.604 62.100 -0.096 0.000 0.977 602 T CB 1.114 69.879 68.868 -0.171 0.000 0.976 602 T HN 0.133 nan 8.240 nan 0.000 0.459 603 V N 6.028 125.864 119.914 -0.130 0.000 2.385 603 V HA 0.423 4.539 4.120 -0.006 0.000 0.269 603 V C 0.103 176.111 176.094 -0.143 0.000 1.043 603 V CA -0.382 61.844 62.300 -0.124 0.000 0.906 603 V CB 0.666 32.428 31.823 -0.101 0.000 0.995 603 V HN 0.840 nan 8.190 nan 0.000 0.467 604 M N 6.788 126.289 119.600 -0.166 0.000 2.227 604 M HA 0.620 5.097 4.480 -0.006 0.000 0.335 604 M C -0.998 175.178 176.300 -0.208 0.000 1.053 604 M CA -0.204 54.984 55.300 -0.188 0.000 0.973 604 M CB 1.946 34.418 32.600 -0.212 0.000 1.623 604 M HN 0.406 nan 8.290 nan 0.000 0.434 605 I N 1.888 122.314 120.570 -0.241 0.000 2.466 605 I HA 0.815 4.981 4.170 -0.006 0.000 0.289 605 I C 0.063 175.811 176.117 -0.615 0.000 1.026 605 I CA -0.593 60.530 61.300 -0.294 0.000 1.078 605 I CB 2.282 40.200 38.000 -0.136 0.000 1.249 605 I HN 0.814 nan 8.210 nan 0.000 0.429 606 G N 3.013 111.421 108.800 -0.653 0.000 2.690 606 G HA2 0.847 4.803 3.960 -0.006 0.000 0.293 606 G HA3 0.847 4.803 3.960 -0.006 0.000 0.293 606 G C -0.997 173.595 174.900 -0.514 0.000 1.399 606 G CA -0.785 43.778 45.100 -0.894 0.000 0.890 606 G HN 0.986 nan 8.290 nan 0.000 0.485 607 G N -0.384 108.284 108.800 -0.219 0.000 2.352 607 G HA2 0.403 4.359 3.960 -0.006 0.000 0.305 607 G HA3 0.403 4.359 3.960 -0.006 0.000 0.305 607 G C -1.301 173.742 174.900 0.239 0.000 1.537 607 G CA -1.040 44.106 45.100 0.076 0.000 0.959 607 G HN 0.607 nan 8.290 nan 0.000 0.668 608 K N -0.135 120.389 120.400 0.207 0.000 2.110 608 K HA 0.747 5.063 4.320 -0.006 0.000 0.263 608 K C 0.237 176.965 176.600 0.215 0.000 0.975 608 K CA -0.174 56.249 56.287 0.227 0.000 0.895 608 K CB 1.998 34.522 32.500 0.041 0.000 1.060 608 K HN 0.872 nan 8.250 nan 0.000 0.448 609 A N 1.489 124.470 122.820 0.269 0.000 2.317 609 A HA 0.633 4.949 4.320 -0.006 0.000 0.327 609 A C -0.459 177.271 177.584 0.244 0.000 1.178 609 A CA -0.741 51.379 52.037 0.138 0.000 0.817 609 A CB 1.032 20.042 19.000 0.016 0.000 1.189 609 A HN 0.775 nan 8.150 nan 0.000 0.489 610 A N 3.879 126.818 122.820 0.198 0.000 2.511 610 A HA 0.472 4.788 4.320 -0.006 0.000 0.242 610 A C -1.319 176.323 177.584 0.097 0.000 1.069 610 A CA -0.803 51.354 52.037 0.201 0.000 0.763 610 A CB -0.359 18.724 19.000 0.139 0.000 1.001 610 A HN 0.608 nan 8.150 nan 0.000 0.498 611 P HA -0.184 nan 4.420 nan 0.000 0.218 611 P C 1.376 178.653 177.300 -0.038 0.000 1.152 611 P CA 2.168 65.193 63.100 -0.125 0.000 0.857 611 P CB 0.176 31.750 31.700 -0.210 0.000 0.787 612 G N -3.369 105.433 108.800 0.002 0.000 3.042 612 G HA2 -0.117 3.840 3.960 -0.006 0.000 0.212 612 G HA3 -0.117 3.840 3.960 -0.006 0.000 0.212 612 G C -0.105 174.829 174.900 0.057 0.000 1.166 612 G CA -0.043 45.065 45.100 0.015 0.000 0.767 612 G HN 0.174 nan 8.290 nan 0.000 0.546 613 Y N 2.342 122.574 120.300 -0.112 0.000 2.616 613 Y HA 0.184 4.730 4.550 -0.006 0.000 0.350 613 Y C 1.475 177.359 175.900 -0.026 0.000 1.119 613 Y CA -1.721 56.299 58.100 -0.133 0.000 1.467 613 Y CB -0.773 37.565 38.460 -0.204 0.000 1.287 613 Y HN 0.372 nan 8.280 nan 0.000 0.504 614 H N 3.583 122.765 119.070 0.186 0.000 2.289 614 H HA -0.248 4.304 4.556 -0.006 0.000 0.296 614 H C 1.748 177.094 175.328 0.031 0.000 1.091 614 H CA 2.380 58.481 56.048 0.089 0.000 1.274 614 H CB 0.378 30.192 29.762 0.085 0.000 1.364 614 H HN 0.622 nan 8.280 nan 0.000 0.490 615 M N 0.946 120.495 119.600 -0.086 0.000 2.108 615 M HA -0.096 4.380 4.480 -0.006 0.000 0.261 615 M C 2.543 178.575 176.300 -0.446 0.000 1.066 615 M CA 1.830 56.983 55.300 -0.244 0.000 1.107 615 M CB -0.669 31.932 32.600 0.001 0.000 1.356 615 M HN 0.360 nan 8.290 nan 0.000 0.406 616 A N -0.576 121.722 122.820 -0.870 0.000 1.972 616 A HA -0.191 4.125 4.320 -0.006 0.000 0.219 616 A C 2.184 179.553 177.584 -0.357 0.000 1.169 616 A CA 1.829 53.413 52.037 -0.755 0.000 0.635 616 A CB -0.627 17.726 19.000 -1.078 0.000 0.810 616 A HN 0.589 nan 8.150 nan 0.000 0.446 617 K N -1.236 119.011 120.400 -0.255 0.000 2.155 617 K HA 0.013 4.329 4.320 -0.006 0.000 0.203 617 K C 1.855 178.426 176.600 -0.048 0.000 1.052 617 K CA 1.039 57.279 56.287 -0.079 0.000 0.948 617 K CB -0.168 32.351 32.500 0.031 0.000 0.728 617 K HN 0.320 nan 8.250 nan 0.000 0.448 618 M N 0.560 120.077 119.600 -0.137 0.000 2.229 618 M HA -0.061 4.415 4.480 -0.006 0.000 0.264 618 M C 2.060 178.297 176.300 -0.105 0.000 1.063 618 M CA 1.365 56.623 55.300 -0.071 0.000 1.114 618 M CB -0.537 31.985 32.600 -0.130 0.000 1.387 618 M HN 0.120 nan 8.290 nan 0.000 0.420 619 I N -0.285 120.181 120.570 -0.173 0.000 2.252 619 I HA -0.291 3.875 4.170 -0.006 0.000 0.245 619 I C 2.259 178.245 176.117 -0.218 0.000 1.102 619 I CA 1.009 62.195 61.300 -0.190 0.000 1.385 619 I CB -0.257 37.631 38.000 -0.187 0.000 1.064 619 I HN 0.158 nan 8.210 nan 0.000 0.414 620 I N 0.695 121.121 120.570 -0.239 0.000 2.226 620 I HA -0.308 3.858 4.170 -0.006 0.000 0.245 620 I C 2.557 178.399 176.117 -0.458 0.000 1.100 620 I CA 1.239 62.306 61.300 -0.389 0.000 1.374 620 I CB -0.265 37.462 38.000 -0.455 0.000 1.057 620 I HN 0.156 nan 8.210 nan 0.000 0.413 621 K N 1.240 121.385 120.400 -0.426 0.000 2.097 621 K HA -0.187 4.129 4.320 -0.006 0.000 0.205 621 K C 1.923 178.341 176.600 -0.303 0.000 1.050 621 K CA 1.410 57.357 56.287 -0.567 0.000 0.938 621 K CB -0.455 31.413 32.500 -1.054 0.000 0.718 621 K HN 0.137 nan 8.250 nan 0.000 0.442 622 L N 0.602 121.656 121.223 -0.282 0.000 2.056 622 L HA 0.043 4.379 4.340 -0.006 0.000 0.207 622 L C 1.908 178.522 176.870 -0.427 0.000 1.078 622 L CA 1.494 55.992 54.840 -0.571 0.000 0.749 622 L CB -0.375 41.230 42.059 -0.757 0.000 0.901 622 L HN 0.254 nan 8.230 nan 0.000 0.433 623 I N -0.476 119.910 120.570 -0.308 0.000 2.127 623 I HA -0.349 3.818 4.170 -0.006 0.000 0.241 623 I C 2.445 178.457 176.117 -0.175 0.000 1.075 623 I CA 1.960 63.140 61.300 -0.201 0.000 1.334 623 I CB -0.834 37.145 38.000 -0.035 0.000 1.040 623 I HN 0.473 nan 8.210 nan 0.000 0.405 624 T N -0.858 113.574 114.554 -0.205 0.000 2.821 624 T HA -0.073 4.273 4.350 -0.006 0.000 0.267 624 T C 1.960 176.589 174.700 -0.119 0.000 1.046 624 T CA 0.939 62.950 62.100 -0.149 0.000 1.139 624 T CB -0.496 68.248 68.868 -0.206 0.000 0.871 624 T HN 0.348 nan 8.240 nan 0.000 0.454 625 A N 1.341 124.080 122.820 -0.135 0.000 1.930 625 A HA 0.171 4.487 4.320 -0.006 0.000 0.217 625 A C 2.365 179.937 177.584 -0.020 0.000 1.175 625 A CA 1.111 53.131 52.037 -0.028 0.000 0.627 625 A CB -0.778 18.293 19.000 0.119 0.000 0.815 625 A HN 0.586 nan 8.150 nan 0.000 0.443 626 I N -0.393 120.046 120.570 -0.219 0.000 2.202 626 I HA -0.182 3.985 4.170 -0.006 0.000 0.242 626 I C 2.715 178.761 176.117 -0.118 0.000 1.091 626 I CA 1.137 62.257 61.300 -0.301 0.000 1.368 626 I CB -0.592 37.108 38.000 -0.499 0.000 1.058 626 I HN 0.390 nan 8.210 nan 0.000 0.410 627 G N 0.302 109.034 108.800 -0.114 0.000 2.442 627 G HA2 -0.257 3.699 3.960 -0.006 0.000 0.219 627 G HA3 -0.257 3.699 3.960 -0.006 0.000 0.219 627 G C 1.259 176.130 174.900 -0.047 0.000 1.141 627 G CA 0.901 45.949 45.100 -0.087 0.000 0.763 627 G HN 0.280 nan 8.290 nan 0.000 0.554 628 D N 0.027 120.435 120.400 0.014 0.000 2.149 628 D HA -0.088 4.548 4.640 -0.006 0.000 0.198 628 D C 2.688 179.063 176.300 0.126 0.000 0.990 628 D CA 0.721 54.790 54.000 0.114 0.000 0.839 628 D CB -0.180 40.654 40.800 0.058 0.000 0.948 628 D HN 0.244 nan 8.370 nan 0.000 0.460 629 V N 0.170 120.084 119.914 0.001 0.000 2.300 629 V HA -0.147 3.969 4.120 -0.006 0.000 0.241 629 V C 2.634 178.648 176.094 -0.134 0.000 1.034 629 V CA 0.749 62.979 62.300 -0.117 0.000 1.021 629 V CB -0.359 31.282 31.823 -0.304 0.000 0.662 629 V HN 0.010 nan 8.190 nan 0.000 0.458 630 V N 1.175 120.955 119.914 -0.223 0.000 2.282 630 V HA -0.269 3.847 4.120 -0.006 0.000 0.249 630 V C 2.102 178.145 176.094 -0.086 0.000 1.057 630 V CA 2.277 64.460 62.300 -0.194 0.000 1.032 630 V CB -0.952 30.765 31.823 -0.175 0.000 0.645 630 V HN 0.595 nan 8.190 nan 0.000 0.447 631 N N -0.537 118.048 118.700 -0.192 0.000 2.550 631 N HA -0.081 4.656 4.740 -0.006 0.000 0.186 631 N C 1.103 176.293 175.510 -0.533 0.000 1.110 631 N CA 0.856 53.694 53.050 -0.353 0.000 0.912 631 N CB -0.290 37.915 38.487 -0.470 0.000 0.968 631 N HN 0.711 nan 8.380 nan 0.000 0.448 632 H N -1.642 117.434 119.070 0.010 0.000 2.785 632 H HA 0.197 4.749 4.556 -0.006 0.000 0.268 632 H C -0.580 174.769 175.328 0.035 0.000 1.153 632 H CA -0.506 55.550 56.048 0.014 0.000 1.111 632 H CB 0.698 30.456 29.762 -0.007 0.000 1.633 632 H HN -0.029 nan 8.280 nan 0.000 0.576 633 D N 2.110 122.586 120.400 0.126 0.000 2.339 633 D HA 0.041 4.677 4.640 -0.006 0.000 0.241 633 D C -1.511 174.851 176.300 0.104 0.000 1.183 633 D CA -2.227 51.865 54.000 0.153 0.000 0.859 633 D CB 1.695 42.668 40.800 0.287 0.000 1.067 633 D HN 0.114 nan 8.370 nan 0.000 0.484 634 P HA -0.132 nan 4.420 nan 0.000 0.219 634 P C 1.559 178.882 177.300 0.038 0.000 1.146 634 P CA 0.441 63.572 63.100 0.052 0.000 0.808 634 P CB 0.396 32.122 31.700 0.043 0.000 0.779 635 V N -0.420 119.517 119.914 0.037 0.000 2.515 635 V HA -0.151 3.965 4.120 -0.006 0.000 0.250 635 V C 2.603 178.697 176.094 0.001 0.000 1.058 635 V CA 1.461 63.766 62.300 0.009 0.000 1.064 635 V CB -0.942 30.874 31.823 -0.012 0.000 0.675 635 V HN -0.022 nan 8.190 nan 0.000 0.461 636 V N -0.287 119.645 119.914 0.030 0.000 2.488 636 V HA 0.179 4.295 4.120 -0.006 0.000 0.246 636 V C 1.868 177.969 176.094 0.012 0.000 1.046 636 V CA 1.280 63.595 62.300 0.025 0.000 1.053 636 V CB -1.062 30.823 31.823 0.102 0.000 0.679 636 V HN 0.690 nan 8.190 nan 0.000 0.458 637 G N 1.970 110.784 108.800 0.023 0.000 2.614 637 G HA2 -0.398 3.558 3.960 -0.006 0.000 0.303 637 G HA3 -0.398 3.558 3.960 -0.006 0.000 0.303 637 G C 0.368 175.274 174.900 0.011 0.000 1.270 637 G CA 0.593 45.703 45.100 0.017 0.000 0.988 637 G HN 0.671 nan 8.290 nan 0.000 0.551 638 D N 0.425 120.833 120.400 0.014 0.000 2.358 638 D HA 0.169 4.805 4.640 -0.006 0.000 0.224 638 D C 1.879 178.173 176.300 -0.011 0.000 1.123 638 D CA 0.149 54.160 54.000 0.018 0.000 0.833 638 D CB -0.132 40.698 40.800 0.050 0.000 0.946 638 D HN 0.616 nan 8.370 nan 0.000 0.505 639 R N -0.639 119.840 120.500 -0.034 0.000 2.193 639 R HA 0.224 4.560 4.340 -0.006 0.000 0.213 639 R C 0.063 176.309 176.300 -0.090 0.000 1.055 639 R CA 0.292 56.343 56.100 -0.083 0.000 0.995 639 R CB 0.188 30.422 30.300 -0.109 0.000 0.893 639 R HN 0.123 nan 8.270 nan 0.000 0.459 640 L N -0.040 121.151 121.223 -0.054 0.000 2.543 640 L HA 0.414 4.750 4.340 -0.006 0.000 0.265 640 L C -1.662 175.182 176.870 -0.044 0.000 0.945 640 L CA -0.674 54.133 54.840 -0.056 0.000 0.869 640 L CB 1.958 43.994 42.059 -0.039 0.000 1.294 640 L HN -0.172 nan 8.230 nan 0.000 0.405 641 R N 3.160 123.622 120.500 -0.065 0.000 2.621 641 R HA 0.877 5.213 4.340 -0.006 0.000 0.284 641 R C -1.883 174.361 176.300 -0.093 0.000 0.998 641 R CA -0.609 55.446 56.100 -0.076 0.000 0.895 641 R CB 2.246 32.504 30.300 -0.069 0.000 1.195 641 R HN 0.451 nan 8.270 nan 0.000 0.450 642 V N 6.371 126.228 119.914 -0.096 0.000 2.376 642 V HA 0.458 4.574 4.120 -0.006 0.000 0.287 642 V C -0.110 175.938 176.094 -0.077 0.000 1.015 642 V CA -0.679 61.564 62.300 -0.095 0.000 0.834 642 V CB 0.983 32.744 31.823 -0.103 0.000 1.001 642 V HN 0.677 nan 8.190 nan 0.000 0.428 643 I N 1.109 121.633 120.570 -0.076 0.000 2.646 643 I HA 0.723 4.889 4.170 -0.006 0.000 0.299 643 I C -1.186 174.920 176.117 -0.019 0.000 1.036 643 I CA -0.838 60.438 61.300 -0.041 0.000 1.074 643 I CB 2.227 40.188 38.000 -0.064 0.000 1.258 643 I HN 0.455 nan 8.210 nan 0.000 0.430 644 F N 6.151 126.045 119.950 -0.093 0.000 2.404 644 F HA 0.574 5.097 4.527 -0.006 0.000 0.354 644 F C -0.765 174.985 175.800 -0.083 0.000 1.122 644 F CA -0.689 57.257 58.000 -0.090 0.000 1.080 644 F CB 1.164 40.115 39.000 -0.083 0.000 1.131 644 F HN 0.376 nan 8.300 nan 0.000 0.471 645 L N 6.213 127.063 121.223 -0.623 0.000 2.283 645 L HA 0.240 4.576 4.340 -0.006 0.000 0.287 645 L C 0.346 177.001 176.870 -0.358 0.000 1.073 645 L CA -0.287 54.323 54.840 -0.382 0.000 0.822 645 L CB 0.655 42.559 42.059 -0.258 0.000 1.186 645 L HN 0.647 nan 8.230 nan 0.000 0.436 646 E N 4.170 124.290 120.200 -0.133 0.000 2.392 646 E HA -0.084 4.262 4.350 -0.006 0.000 0.264 646 E C 0.280 176.935 176.600 0.091 0.000 1.024 646 E CA -0.299 56.157 56.400 0.092 0.000 0.903 646 E CB 0.422 30.188 29.700 0.111 0.000 0.963 646 E HN 0.580 nan 8.360 nan 0.000 0.432 647 N N 2.561 121.384 118.700 0.205 0.000 2.738 647 N HA -0.276 4.460 4.740 -0.006 0.000 0.249 647 N C -1.557 174.041 175.510 0.145 0.000 1.047 647 N CA 0.560 53.718 53.050 0.180 0.000 0.707 647 N CB -1.653 36.965 38.487 0.218 0.000 0.937 647 N HN 0.493 nan 8.380 nan 0.000 0.545 648 Y N 1.664 121.968 120.300 0.007 0.000 2.632 648 Y HA 0.189 4.735 4.550 -0.007 0.000 0.329 648 Y C 1.082 176.998 175.900 0.027 0.000 1.174 648 Y CA 0.401 58.491 58.100 -0.018 0.000 1.469 648 Y CB 0.317 38.731 38.460 -0.076 0.000 1.242 648 Y HN 0.338 nan 8.280 nan 0.000 0.540 649 R N 2.764 122.940 120.500 -0.541 0.000 2.766 649 R HA 0.449 4.785 4.340 -0.006 0.000 0.270 649 R C -0.261 175.723 176.300 -0.526 0.000 1.035 649 R CA -0.628 55.248 56.100 -0.374 0.000 0.911 649 R CB 0.460 30.741 30.300 -0.032 0.000 1.243 649 R HN 0.393 nan 8.270 nan 0.000 0.460 650 V N 1.163 120.779 119.914 -0.496 0.000 2.250 650 V HA -0.328 3.788 4.120 -0.006 0.000 0.250 650 V C 2.620 178.588 176.094 -0.211 0.000 1.060 650 V CA 2.989 65.049 62.300 -0.400 0.000 1.030 650 V CB -0.873 30.642 31.823 -0.514 0.000 0.643 650 V HN 0.957 nan 8.190 nan 0.000 0.445 651 S N -0.092 115.512 115.700 -0.161 0.000 2.399 651 S HA -0.192 4.275 4.470 -0.006 0.000 0.231 651 S C 1.911 176.452 174.600 -0.098 0.000 1.022 651 S CA 1.777 59.908 58.200 -0.116 0.000 0.983 651 S CB -0.519 62.648 63.200 -0.054 0.000 0.803 651 S HN 0.403 nan 8.310 nan 0.000 0.480 652 L N 1.886 123.054 121.223 -0.092 0.000 2.131 652 L HA 0.357 4.693 4.340 -0.006 0.000 0.206 652 L C 2.668 179.535 176.870 -0.005 0.000 1.087 652 L CA 1.377 56.200 54.840 -0.029 0.000 0.767 652 L CB -1.289 40.803 42.059 0.055 0.000 0.917 652 L HN 0.350 nan 8.230 nan 0.000 0.441 653 A N -0.790 121.994 122.820 -0.060 0.000 1.972 653 A HA -0.219 4.097 4.320 -0.006 0.000 0.219 653 A C 2.124 179.782 177.584 0.124 0.000 1.169 653 A CA 1.765 53.856 52.037 0.090 0.000 0.635 653 A CB -0.569 18.463 19.000 0.053 0.000 0.810 653 A HN 0.599 nan 8.150 nan 0.000 0.446 654 E N -0.619 119.630 120.200 0.081 0.000 2.347 654 E HA -0.109 4.238 4.350 -0.006 0.000 0.196 654 E C 1.739 178.316 176.600 -0.038 0.000 1.008 654 E CA 0.876 57.281 56.400 0.009 0.000 0.852 654 E CB 0.016 29.612 29.700 -0.173 0.000 0.783 654 E HN 0.611 nan 8.360 nan 0.000 0.505 655 K N -0.111 120.253 120.400 -0.060 0.000 2.190 655 K HA 0.052 4.369 4.320 -0.006 0.000 0.202 655 K C 2.068 178.589 176.600 -0.131 0.000 1.045 655 K CA 0.272 56.530 56.287 -0.049 0.000 0.976 655 K CB 0.136 32.578 32.500 -0.097 0.000 0.849 655 K HN -0.065 nan 8.250 nan 0.000 0.468 656 V N 2.000 121.735 119.914 -0.298 0.000 2.591 656 V HA -0.108 4.009 4.120 -0.006 0.000 0.249 656 V C 1.898 177.752 176.094 -0.401 0.000 1.053 656 V CA 1.137 63.007 62.300 -0.717 0.000 1.068 656 V CB -0.145 31.272 31.823 -0.678 0.000 0.689 656 V HN 0.234 nan 8.190 nan 0.000 0.462 657 I N 0.801 121.186 120.570 -0.308 0.000 2.179 657 I HA -0.126 4.040 4.170 -0.006 0.000 0.242 657 I C -0.264 175.733 176.117 -0.201 0.000 1.088 657 I CA 1.555 62.592 61.300 -0.439 0.000 1.357 657 I CB -1.650 35.968 38.000 -0.637 0.000 1.051 657 I HN 0.362 nan 8.210 nan 0.000 0.409 658 P HA -0.121 nan 4.420 nan 0.000 0.223 658 P C 0.878 178.181 177.300 0.006 0.000 1.144 658 P CA 1.209 64.292 63.100 -0.028 0.000 0.783 658 P CB 0.032 31.729 31.700 -0.005 0.000 0.771 659 A N -1.329 121.482 122.820 -0.015 0.000 2.308 659 A HA 0.506 4.822 4.320 -0.006 0.000 0.217 659 A C 1.118 178.799 177.584 0.162 0.000 1.216 659 A CA 0.032 52.113 52.037 0.073 0.000 0.864 659 A CB -0.543 18.526 19.000 0.115 0.000 0.902 659 A HN 0.187 nan 8.150 nan 0.000 0.499 660 A N -0.061 122.843 122.820 0.140 0.000 2.388 660 A HA 0.471 4.788 4.320 -0.006 0.000 0.257 660 A C 0.375 178.102 177.584 0.239 0.000 1.095 660 A CA -0.153 52.030 52.037 0.243 0.000 0.791 660 A CB 0.331 19.578 19.000 0.412 0.000 1.029 660 A HN 0.264 nan 8.150 nan 0.000 0.489 661 D N 0.323 120.860 120.400 0.228 0.000 2.369 661 D HA 0.107 4.743 4.640 -0.006 0.000 0.231 661 D C -0.159 176.366 176.300 0.375 0.000 0.967 661 D CA 0.877 55.063 54.000 0.311 0.000 0.905 661 D CB 0.214 41.073 40.800 0.097 0.000 1.044 661 D HN 0.373 nan 8.370 nan 0.000 0.487 662 L N 0.564 121.884 121.223 0.161 0.000 2.356 662 L HA 0.364 4.700 4.340 -0.006 0.000 0.277 662 L C -0.718 176.042 176.870 -0.183 0.000 0.996 662 L CA -0.532 54.331 54.840 0.039 0.000 0.822 662 L CB 2.081 44.136 42.059 -0.007 0.000 1.256 662 L HN -0.257 nan 8.230 nan 0.000 0.413 663 S N 4.328 119.823 115.700 -0.341 0.000 2.422 663 S HA 0.435 4.901 4.470 -0.006 0.000 0.308 663 S C -0.561 173.730 174.600 -0.515 0.000 1.097 663 S CA -0.661 57.056 58.200 -0.805 0.000 1.099 663 S CB 0.322 62.947 63.200 -0.958 0.000 0.976 663 S HN 0.640 nan 8.310 nan 0.000 0.471 664 E N 4.132 124.048 120.200 -0.473 0.000 2.105 664 E HA 0.180 4.526 4.350 -0.006 0.000 0.285 664 E C -0.427 176.040 176.600 -0.221 0.000 1.055 664 E CA -0.276 55.981 56.400 -0.238 0.000 0.843 664 E CB 0.833 30.429 29.700 -0.172 0.000 1.067 664 E HN 0.625 nan 8.360 nan 0.000 0.398 665 Q N 2.794 122.524 119.800 -0.117 0.000 3.122 665 Q HA 0.245 4.581 4.340 -0.006 0.000 0.282 665 Q C 0.607 176.582 176.000 -0.043 0.000 0.947 665 Q CA -0.119 55.631 55.803 -0.089 0.000 0.812 665 Q CB 0.204 28.900 28.738 -0.069 0.000 1.333 665 Q HN 0.610 nan 8.270 nan 0.000 0.430 666 I N -1.561 118.973 120.570 -0.059 0.000 3.731 666 I HA 0.256 4.422 4.170 -0.006 0.000 0.341 666 I C 0.435 176.496 176.117 -0.094 0.000 1.532 666 I CA -0.600 60.669 61.300 -0.052 0.000 1.163 666 I CB 0.145 38.105 38.000 -0.068 0.000 1.339 666 I HN -0.021 nan 8.210 nan 0.000 0.449 667 S N 0.346 115.997 115.700 -0.082 0.000 2.579 667 S HA 0.194 4.660 4.470 -0.006 0.000 0.275 667 S C 0.552 175.139 174.600 -0.022 0.000 1.345 667 S CA -0.338 57.841 58.200 -0.036 0.000 1.031 667 S CB 0.480 63.714 63.200 0.055 0.000 0.892 667 S HN 0.396 nan 8.310 nan 0.000 0.529 668 T N 2.704 117.285 114.554 0.045 0.000 2.902 668 T HA 0.391 4.737 4.350 -0.006 0.000 0.301 668 T C 0.751 175.461 174.700 0.017 0.000 1.012 668 T CA 0.255 62.383 62.100 0.046 0.000 1.151 668 T CB 0.001 68.970 68.868 0.168 0.000 0.946 668 T HN 1.006 nan 8.240 nan 0.000 0.542 669 A N 2.773 125.568 122.820 -0.042 0.000 2.584 669 A HA 0.439 4.755 4.320 -0.006 0.000 0.239 669 A C 1.660 179.231 177.584 -0.023 0.000 1.043 669 A CA 0.341 52.348 52.037 -0.050 0.000 0.756 669 A CB -0.881 18.076 19.000 -0.072 0.000 0.963 669 A HN 1.694 nan 8.150 nan 0.000 0.511 670 G N 1.341 110.127 108.800 -0.024 0.000 2.175 670 G HA2 -0.258 3.699 3.960 -0.006 0.000 0.244 670 G HA3 -0.258 3.699 3.960 -0.006 0.000 0.244 670 G C 0.934 175.816 174.900 -0.031 0.000 0.982 670 G CA 1.164 46.251 45.100 -0.022 0.000 0.641 670 G HN 2.015 nan 8.290 nan 0.000 0.527 671 T N -2.389 112.145 114.554 -0.033 0.000 3.034 671 T HA 0.394 4.740 4.350 -0.006 0.000 0.248 671 T C 0.798 175.324 174.700 -0.289 0.000 1.040 671 T CA 1.128 63.139 62.100 -0.149 0.000 1.107 671 T CB 0.500 69.336 68.868 -0.053 0.000 0.932 671 T HN 0.277 nan 8.240 nan 0.000 0.474 672 E N 1.513 121.681 120.200 -0.053 0.000 2.001 672 E HA 0.662 5.008 4.350 -0.006 0.000 0.279 672 E C 1.193 177.749 176.600 -0.074 0.000 1.045 672 E CA 0.044 56.460 56.400 0.026 0.000 0.833 672 E CB 0.668 30.447 29.700 0.131 0.000 1.077 672 E HN 0.349 nan 8.360 nan 0.000 0.397 673 A N 3.349 126.059 122.820 -0.183 0.000 1.940 673 A HA -0.256 4.060 4.320 -0.006 0.000 0.221 673 A C 1.980 179.452 177.584 -0.187 0.000 1.190 673 A CA 2.393 54.220 52.037 -0.350 0.000 0.647 673 A CB -0.250 18.331 19.000 -0.700 0.000 0.821 673 A HN 0.602 nan 8.150 nan 0.000 0.457 674 S N -4.264 111.378 115.700 -0.097 0.000 4.193 674 S HA 0.452 4.918 4.470 -0.006 0.000 0.211 674 S C 0.639 175.229 174.600 -0.017 0.000 1.162 674 S CA 1.352 59.534 58.200 -0.030 0.000 1.039 674 S CB -0.104 63.096 63.200 -0.000 0.000 1.371 674 S HN 2.316 nan 8.310 nan 0.000 0.550 675 G N 0.286 109.084 108.800 -0.003 0.000 2.705 675 G HA2 -0.015 3.941 3.960 -0.006 0.000 0.686 675 G HA3 -0.015 3.941 3.960 -0.006 0.000 0.686 675 G C 0.213 175.098 174.900 -0.025 0.000 1.285 675 G CA 0.461 45.557 45.100 -0.007 0.000 0.800 675 G HN 1.333 nan 8.290 nan 0.000 0.611 676 T N -2.144 112.382 114.554 -0.047 0.000 3.051 676 T HA 0.366 4.712 4.350 -0.006 0.000 0.254 676 T C 2.330 176.935 174.700 -0.157 0.000 0.916 676 T CA 1.229 63.274 62.100 -0.093 0.000 0.894 676 T CB 0.266 69.072 68.868 -0.104 0.000 1.251 676 T HN 1.886 nan 8.240 nan 0.000 0.517 677 G N 3.201 111.935 108.800 -0.109 0.000 2.432 677 G HA2 -0.227 3.729 3.960 -0.006 0.000 0.219 677 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.219 677 G C 1.533 176.484 174.900 0.085 0.000 1.135 677 G CA 1.251 46.302 45.100 -0.082 0.000 0.767 677 G HN 0.669 nan 8.290 nan 0.000 0.550 678 N N 1.378 120.106 118.700 0.047 0.000 2.069 678 N HA -0.178 4.558 4.740 -0.006 0.000 0.191 678 N C 2.066 177.581 175.510 0.009 0.000 1.031 678 N CA 1.956 55.033 53.050 0.045 0.000 0.852 678 N CB -0.798 37.667 38.487 -0.038 0.000 1.018 678 N HN 0.410 nan 8.380 nan 0.000 0.423 679 M N 0.372 119.911 119.600 -0.101 0.000 2.117 679 M HA -0.006 4.470 4.480 -0.006 0.000 0.262 679 M C 2.078 178.340 176.300 -0.064 0.000 1.065 679 M CA 1.468 56.698 55.300 -0.117 0.000 1.114 679 M CB -0.317 32.229 32.600 -0.091 0.000 1.361 679 M HN 0.096 nan 8.290 nan 0.000 0.408 680 K N 0.178 120.470 120.400 -0.180 0.000 2.074 680 K HA -0.152 4.164 4.320 -0.006 0.000 0.209 680 K C 1.793 178.287 176.600 -0.178 0.000 1.048 680 K CA 1.559 57.669 56.287 -0.294 0.000 0.926 680 K CB -0.378 31.727 32.500 -0.659 0.000 0.713 680 K HN 0.159 nan 8.250 nan 0.000 0.444 681 F N 1.100 120.983 119.950 -0.113 0.000 2.095 681 F HA -0.196 4.327 4.527 -0.007 0.000 0.298 681 F C 2.653 178.425 175.800 -0.046 0.000 1.104 681 F CA 1.400 59.356 58.000 -0.074 0.000 1.232 681 F CB -0.410 38.533 39.000 -0.095 0.000 0.987 681 F HN 0.012 nan 8.300 nan 0.000 0.475 682 M N -0.443 119.244 119.600 0.144 0.000 2.086 682 M HA -0.199 4.278 4.480 -0.006 0.000 0.261 682 M C 2.162 178.520 176.300 0.096 0.000 1.067 682 M CA 1.611 56.966 55.300 0.092 0.000 1.116 682 M CB -0.296 32.356 32.600 0.087 0.000 1.348 682 M HN 0.265 nan 8.290 nan 0.000 0.407 683 L N 0.852 122.132 121.223 0.095 0.000 2.275 683 L HA -0.101 4.236 4.340 -0.006 0.000 0.215 683 L C 1.299 178.218 176.870 0.082 0.000 1.119 683 L CA 1.649 56.551 54.840 0.103 0.000 0.790 683 L CB -0.645 41.486 42.059 0.120 0.000 0.919 683 L HN 0.356 nan 8.230 nan 0.000 0.443 684 N N -0.058 118.680 118.700 0.064 0.000 2.276 684 N HA 0.162 4.898 4.740 -0.006 0.000 0.212 684 N C 0.814 176.360 175.510 0.061 0.000 1.127 684 N CA 0.776 53.856 53.050 0.052 0.000 0.834 684 N CB 0.448 38.945 38.487 0.016 0.000 1.014 684 N HN 0.432 nan 8.380 nan 0.000 0.491 685 G N 0.561 109.401 108.800 0.068 0.000 2.171 685 G HA2 -0.191 3.765 3.960 -0.006 0.000 0.238 685 G HA3 -0.191 3.765 3.960 -0.006 0.000 0.238 685 G C -0.056 174.910 174.900 0.111 0.000 1.039 685 G CA 0.153 45.292 45.100 0.067 0.000 0.759 685 G HN 0.521 nan 8.290 nan 0.000 0.501 686 A N -0.433 122.462 122.820 0.124 0.000 2.337 686 A HA 0.900 5.217 4.320 -0.006 0.000 0.331 686 A C 0.233 177.824 177.584 0.011 0.000 1.137 686 A CA -0.691 51.443 52.037 0.161 0.000 0.807 686 A CB 1.195 20.358 19.000 0.271 0.000 1.250 686 A HN 0.713 nan 8.150 nan 0.000 0.468 687 L N 0.882 122.075 121.223 -0.049 0.000 2.379 687 L HA 0.471 4.807 4.340 -0.006 0.000 0.269 687 L C 0.061 176.794 176.870 -0.228 0.000 1.084 687 L CA -0.395 54.305 54.840 -0.234 0.000 0.802 687 L CB 1.771 43.584 42.059 -0.411 0.000 1.175 687 L HN 0.718 nan 8.230 nan 0.000 0.448 688 T N 3.117 117.409 114.554 -0.437 0.000 2.794 688 T HA 0.473 4.819 4.350 -0.006 0.000 0.280 688 T C -0.403 174.182 174.700 -0.191 0.000 0.987 688 T CA -0.253 61.584 62.100 -0.438 0.000 0.993 688 T CB 1.627 70.056 68.868 -0.731 0.000 0.939 688 T HN 0.373 nan 8.240 nan 0.000 0.449 689 I N 2.843 123.390 120.570 -0.038 0.000 2.355 689 I HA 0.717 4.883 4.170 -0.006 0.000 0.288 689 I C 0.033 176.309 176.117 0.265 0.000 0.999 689 I CA 0.057 61.464 61.300 0.178 0.000 1.163 689 I CB 0.270 38.319 38.000 0.082 0.000 1.316 689 I HN 0.796 nan 8.210 nan 0.000 0.454 690 G N 3.973 112.990 108.800 0.362 0.000 2.600 690 G HA2 0.466 4.422 3.960 -0.006 0.000 0.293 690 G HA3 0.466 4.422 3.960 -0.006 0.000 0.293 690 G C -0.887 173.908 174.900 -0.175 0.000 1.408 690 G CA -0.303 44.903 45.100 0.176 0.000 0.782 690 G HN 0.564 nan 8.290 nan 0.000 0.482 691 T N -1.646 112.682 114.554 -0.377 0.000 2.824 691 T HA 0.549 4.895 4.350 -0.006 0.000 0.277 691 T C 0.632 175.205 174.700 -0.211 0.000 0.975 691 T CA -0.678 61.136 62.100 -0.477 0.000 0.966 691 T CB 1.113 69.721 68.868 -0.433 0.000 1.054 691 T HN 0.256 nan 8.240 nan 0.000 0.533 692 M N 2.720 122.210 119.600 -0.184 0.000 3.213 692 M HA 0.355 4.832 4.480 -0.006 0.000 0.275 692 M C -0.606 175.635 176.300 -0.098 0.000 1.424 692 M CA -0.073 55.155 55.300 -0.120 0.000 1.561 692 M CB -1.460 31.078 32.600 -0.104 0.000 1.109 692 M HN 0.735 nan 8.290 nan 0.000 0.552 693 D N 0.217 120.567 120.400 -0.084 0.000 2.732 693 D HA 0.670 5.306 4.640 -0.006 0.000 0.229 693 D C 0.650 176.925 176.300 -0.043 0.000 1.152 693 D CA 0.745 54.711 54.000 -0.058 0.000 0.854 693 D CB 1.768 42.535 40.800 -0.054 0.000 1.590 693 D HN 0.628 nan 8.370 nan 0.000 0.468 694 G N 1.864 110.648 108.800 -0.027 0.000 2.614 694 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.303 694 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.303 694 G C 0.982 175.870 174.900 -0.020 0.000 1.270 694 G CA 1.030 46.119 45.100 -0.018 0.000 0.988 694 G HN 1.109 nan 8.290 nan 0.000 0.551 695 A N -0.079 122.723 122.820 -0.030 0.000 2.235 695 A HA 0.181 4.497 4.320 -0.006 0.000 0.208 695 A C 2.039 179.545 177.584 -0.130 0.000 1.172 695 A CA 1.655 53.663 52.037 -0.049 0.000 0.786 695 A CB -0.407 18.554 19.000 -0.065 0.000 0.804 695 A HN 0.579 nan 8.150 nan 0.000 0.479 696 N N 0.469 119.111 118.700 -0.098 0.000 2.166 696 N HA -0.137 4.599 4.740 -0.006 0.000 0.186 696 N C 1.627 177.025 175.510 -0.188 0.000 1.019 696 N CA 1.542 54.538 53.050 -0.090 0.000 0.856 696 N CB -0.562 37.914 38.487 -0.018 0.000 0.993 696 N HN 0.280 nan 8.380 nan 0.000 0.426 697 V N 1.491 121.326 119.914 -0.133 0.000 2.255 697 V HA -0.234 3.882 4.120 -0.006 0.000 0.247 697 V C 2.003 178.015 176.094 -0.136 0.000 1.051 697 V CA 1.753 63.971 62.300 -0.137 0.000 1.018 697 V CB -0.561 31.215 31.823 -0.078 0.000 0.641 697 V HN 0.348 nan 8.190 nan 0.000 0.445 698 E N -0.564 119.610 120.200 -0.044 0.000 2.150 698 E HA -0.182 4.165 4.350 -0.006 0.000 0.193 698 E C 2.207 178.888 176.600 0.135 0.000 0.985 698 E CA 1.242 57.692 56.400 0.084 0.000 0.814 698 E CB -0.219 29.626 29.700 0.242 0.000 0.752 698 E HN 0.546 nan 8.360 nan 0.000 0.466 699 M N 0.433 119.974 119.600 -0.098 0.000 2.086 699 M HA -0.148 4.328 4.480 -0.006 0.000 0.261 699 M C 2.498 178.537 176.300 -0.436 0.000 1.067 699 M CA 1.534 56.713 55.300 -0.202 0.000 1.116 699 M CB -0.197 32.228 32.600 -0.291 0.000 1.348 699 M HN 0.143 nan 8.290 nan 0.000 0.407 700 A N -0.199 122.068 122.820 -0.921 0.000 1.933 700 A HA -0.212 4.104 4.320 -0.006 0.000 0.218 700 A C 1.999 179.334 177.584 -0.415 0.000 1.175 700 A CA 1.901 53.277 52.037 -1.102 0.000 0.628 700 A CB -0.786 17.654 19.000 -0.934 0.000 0.814 700 A HN 0.587 nan 8.150 nan 0.000 0.444 701 E N -0.382 119.673 120.200 -0.240 0.000 2.072 701 E HA -0.205 4.141 4.350 -0.006 0.000 0.191 701 E C 1.731 178.296 176.600 -0.058 0.000 0.985 701 E CA 1.177 57.508 56.400 -0.115 0.000 0.801 701 E CB -0.067 29.593 29.700 -0.067 0.000 0.750 701 E HN 0.554 nan 8.360 nan 0.000 0.452 702 E N 0.096 120.294 120.200 -0.003 0.000 2.072 702 E HA -0.132 4.214 4.350 -0.006 0.000 0.191 702 E C 1.805 178.432 176.600 0.044 0.000 0.985 702 E CA 1.138 57.566 56.400 0.047 0.000 0.801 702 E CB -0.128 29.670 29.700 0.164 0.000 0.750 702 E HN 0.352 nan 8.360 nan 0.000 0.452 703 A N 0.271 123.119 122.820 0.047 0.000 2.081 703 A HA 0.358 4.674 4.320 -0.006 0.000 0.214 703 A C 1.035 178.637 177.584 0.031 0.000 1.158 703 A CA 1.019 53.104 52.037 0.080 0.000 0.724 703 A CB 0.109 19.234 19.000 0.209 0.000 0.826 703 A HN 0.238 nan 8.150 nan 0.000 0.463 704 G N -0.373 108.410 108.800 -0.028 0.000 3.338 704 G HA2 -0.096 3.860 3.960 -0.006 0.000 0.686 704 G HA3 -0.096 3.860 3.960 -0.006 0.000 0.686 704 G C -0.042 174.829 174.900 -0.047 0.000 1.053 704 G CA 0.018 45.094 45.100 -0.040 0.000 0.852 704 G HN 0.255 nan 8.290 nan 0.000 0.545 705 E N 0.523 120.675 120.200 -0.079 0.000 2.273 705 E HA -0.208 4.138 4.350 -0.006 0.000 0.198 705 E C 2.327 178.896 176.600 -0.051 0.000 1.002 705 E CA 1.335 57.693 56.400 -0.069 0.000 0.828 705 E CB 0.131 29.788 29.700 -0.073 0.000 0.747 705 E HN 0.783 nan 8.360 nan 0.000 0.491 706 E N 0.622 120.786 120.200 -0.061 0.000 2.347 706 E HA -0.152 4.194 4.350 -0.006 0.000 0.196 706 E C 0.828 177.340 176.600 -0.146 0.000 1.008 706 E CA 0.751 57.094 56.400 -0.095 0.000 0.852 706 E CB -0.027 29.634 29.700 -0.066 0.000 0.783 706 E HN 0.181 nan 8.360 nan 0.000 0.505 707 N N -0.383 118.269 118.700 -0.080 0.000 2.214 707 N HA 0.176 4.912 4.740 -0.006 0.000 0.214 707 N C -0.959 174.509 175.510 -0.070 0.000 1.132 707 N CA 0.019 53.013 53.050 -0.093 0.000 0.856 707 N CB 0.258 38.744 38.487 -0.003 0.000 1.020 707 N HN 0.033 nan 8.380 nan 0.000 0.509 708 F N -0.734 119.011 119.950 -0.342 0.000 2.631 708 F HA 0.461 4.984 4.527 -0.007 0.000 0.328 708 F C -0.595 174.922 175.800 -0.471 0.000 1.067 708 F CA -1.136 56.705 58.000 -0.265 0.000 0.969 708 F CB 1.260 40.187 39.000 -0.121 0.000 1.332 708 F HN -0.250 nan 8.300 nan 0.000 0.490 709 F N 3.519 123.530 119.950 0.102 0.000 2.523 709 F HA 0.371 4.894 4.527 -0.006 0.000 0.322 709 F C -0.501 175.448 175.800 0.248 0.000 1.361 709 F CA -0.549 57.523 58.000 0.119 0.000 1.151 709 F CB 0.114 39.130 39.000 0.026 0.000 1.391 709 F HN -0.054 nan 8.300 nan 0.000 0.566 710 I N 2.723 123.494 120.570 0.334 0.000 2.519 710 I HA 0.272 4.438 4.170 -0.006 0.000 0.287 710 I C 0.035 176.320 176.117 0.280 0.000 1.047 710 I CA -0.306 61.143 61.300 0.248 0.000 1.381 710 I CB 0.304 38.368 38.000 0.107 0.000 1.417 710 I HN 0.321 nan 8.210 nan 0.000 0.540 711 F N 2.367 122.381 119.950 0.105 0.000 2.745 711 F HA 0.824 5.347 4.527 -0.007 0.000 0.316 711 F C 0.106 175.945 175.800 0.065 0.000 1.155 711 F CA -0.401 57.653 58.000 0.091 0.000 0.937 711 F CB 0.888 39.961 39.000 0.121 0.000 1.361 711 F HN 0.797 nan 8.300 nan 0.000 0.472 712 G N 0.941 109.837 108.800 0.160 0.000 2.796 712 G HA2 -0.152 3.804 3.960 -0.006 0.000 0.226 712 G HA3 -0.152 3.804 3.960 -0.006 0.000 0.226 712 G C -0.625 174.252 174.900 -0.038 0.000 1.381 712 G CA -0.444 44.683 45.100 0.045 0.000 0.867 712 G HN 0.974 nan 8.290 nan 0.000 0.552 713 M N -0.015 119.574 119.600 -0.018 0.000 2.252 713 M HA 0.286 4.762 4.480 -0.006 0.000 0.329 713 M C 1.046 177.308 176.300 -0.063 0.000 1.101 713 M CA 0.447 55.736 55.300 -0.018 0.000 1.117 713 M CB 0.363 32.958 32.600 -0.009 0.000 1.563 713 M HN 0.575 nan 8.290 nan 0.000 0.445 714 R N 0.802 121.278 120.500 -0.041 0.000 2.700 714 R HA 0.352 4.689 4.340 -0.006 0.000 0.253 714 R C 0.927 177.203 176.300 -0.041 0.000 1.091 714 R CA -0.544 55.525 56.100 -0.052 0.000 1.104 714 R CB 0.589 30.865 30.300 -0.039 0.000 1.202 714 R HN 0.550 nan 8.270 nan 0.000 0.532 715 V N 1.733 121.622 119.914 -0.043 0.000 2.380 715 V HA -0.297 3.819 4.120 -0.006 0.000 0.251 715 V C 2.025 178.102 176.094 -0.028 0.000 1.063 715 V CA 2.409 64.687 62.300 -0.037 0.000 1.055 715 V CB -0.687 31.113 31.823 -0.039 0.000 0.657 715 V HN 0.838 nan 8.190 nan 0.000 0.455 716 E N -0.061 120.125 120.200 -0.024 0.000 2.085 716 E HA -0.280 4.066 4.350 -0.006 0.000 0.194 716 E C 1.597 178.195 176.600 -0.003 0.000 0.994 716 E CA 1.773 58.165 56.400 -0.014 0.000 0.801 716 E CB -0.499 29.194 29.700 -0.012 0.000 0.743 716 E HN 0.602 nan 8.360 nan 0.000 0.453 717 D N 1.123 121.523 120.400 -0.000 0.000 2.144 717 D HA -0.089 4.547 4.640 -0.006 0.000 0.200 717 D C 2.285 178.594 176.300 0.015 0.000 0.978 717 D CA 1.019 55.029 54.000 0.017 0.000 0.833 717 D CB -0.025 40.789 40.800 0.024 0.000 0.961 717 D HN 0.128 nan 8.370 nan 0.000 0.470 718 V N 1.987 121.896 119.914 -0.008 0.000 2.295 718 V HA -0.215 3.901 4.120 -0.006 0.000 0.246 718 V C 1.920 178.005 176.094 -0.015 0.000 1.049 718 V CA 1.753 64.037 62.300 -0.025 0.000 1.024 718 V CB -0.394 31.404 31.823 -0.043 0.000 0.648 718 V HN 0.039 nan 8.190 nan 0.000 0.447 719 D N -0.227 120.166 120.400 -0.013 0.000 2.144 719 D HA -0.143 4.493 4.640 -0.006 0.000 0.199 719 D C 2.387 178.692 176.300 0.009 0.000 0.984 719 D CA 1.132 55.127 54.000 -0.008 0.000 0.834 719 D CB -0.280 40.513 40.800 -0.013 0.000 0.955 719 D HN 0.360 nan 8.370 nan 0.000 0.465 720 R N 0.055 120.566 120.500 0.018 0.000 2.092 720 R HA 0.012 4.348 4.340 -0.006 0.000 0.231 720 R C 2.488 178.819 176.300 0.052 0.000 1.119 720 R CA 0.402 56.521 56.100 0.032 0.000 0.970 720 R CB -0.294 30.027 30.300 0.035 0.000 0.864 720 R HN 0.202 nan 8.270 nan 0.000 0.440 721 L N 0.670 121.932 121.223 0.065 0.000 2.056 721 L HA -0.204 4.132 4.340 -0.006 0.000 0.207 721 L C 1.553 178.481 176.870 0.096 0.000 1.078 721 L CA 1.303 56.208 54.840 0.109 0.000 0.749 721 L CB -0.273 41.863 42.059 0.128 0.000 0.901 721 L HN 0.198 nan 8.230 nan 0.000 0.433 722 D N -0.531 119.899 120.400 0.049 0.000 2.144 722 D HA -0.205 4.431 4.640 -0.006 0.000 0.199 722 D C 2.218 178.541 176.300 0.039 0.000 0.984 722 D CA 1.055 55.076 54.000 0.036 0.000 0.834 722 D CB 0.001 40.801 40.800 0.000 0.000 0.955 722 D HN 0.408 nan 8.370 nan 0.000 0.465 723 Q N -0.137 119.683 119.800 0.034 0.000 2.084 723 Q HA -0.149 4.187 4.340 -0.006 0.000 0.202 723 Q C 2.069 178.091 176.000 0.037 0.000 0.978 723 Q CA 1.426 57.246 55.803 0.029 0.000 0.844 723 Q CB 0.006 28.758 28.738 0.024 0.000 0.898 723 Q HN 0.285 nan 8.270 nan 0.000 0.426 724 R N -0.713 119.817 120.500 0.050 0.000 2.290 724 R HA 0.249 4.585 4.340 -0.006 0.000 0.197 724 R C 0.020 176.356 176.300 0.061 0.000 0.913 724 R CA 0.644 56.775 56.100 0.051 0.000 1.040 724 R CB 0.502 30.834 30.300 0.053 0.000 0.992 724 R HN 0.062 nan 8.270 nan 0.000 0.500 725 G N 0.717 109.566 108.800 0.082 0.000 3.338 725 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.686 725 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.686 725 G C -1.443 173.548 174.900 0.151 0.000 1.053 725 G CA -0.374 44.783 45.100 0.096 0.000 0.852 725 G HN 0.289 nan 8.290 nan 0.000 0.545 726 Y N 3.111 123.435 120.300 0.041 0.000 2.436 726 Y HA 0.580 5.126 4.550 -0.006 0.000 0.343 726 Y C 0.290 176.237 175.900 0.078 0.000 1.008 726 Y CA -1.202 56.940 58.100 0.069 0.000 1.241 726 Y CB 1.176 39.648 38.460 0.020 0.000 1.153 726 Y HN 0.633 nan 8.280 nan 0.000 0.521 727 N N 4.823 123.291 118.700 -0.388 0.000 2.626 727 N HA 0.336 5.072 4.740 -0.006 0.000 0.249 727 N C 0.311 175.603 175.510 -0.363 0.000 1.021 727 N CA 0.249 53.097 53.050 -0.336 0.000 0.886 727 N CB 1.064 39.487 38.487 -0.107 0.000 1.149 727 N HN 0.752 nan 8.380 nan 0.000 0.517 728 A N 2.577 125.054 122.820 -0.572 0.000 2.024 728 A HA -0.215 4.101 4.320 -0.006 0.000 0.220 728 A C 1.878 179.609 177.584 0.245 0.000 1.164 728 A CA 1.554 53.504 52.037 -0.145 0.000 0.643 728 A CB -0.414 18.403 19.000 -0.305 0.000 0.806 728 A HN 0.697 nan 8.150 nan 0.000 0.451 729 Q N 0.108 119.939 119.800 0.052 0.000 2.135 729 Q HA -0.209 4.128 4.340 -0.006 0.000 0.204 729 Q C 1.910 177.993 176.000 0.139 0.000 0.981 729 Q CA 2.174 58.025 55.803 0.079 0.000 0.856 729 Q CB -0.335 28.404 28.738 0.001 0.000 0.902 729 Q HN 0.786 nan 8.270 nan 0.000 0.425 730 E N -1.363 118.872 120.200 0.058 0.000 2.085 730 E HA -0.238 4.108 4.350 -0.006 0.000 0.194 730 E C 1.516 178.059 176.600 -0.096 0.000 0.994 730 E CA 1.426 57.786 56.400 -0.067 0.000 0.801 730 E CB -0.204 29.366 29.700 -0.216 0.000 0.743 730 E HN 0.561 nan 8.360 nan 0.000 0.453 731 Y N -1.082 119.288 120.300 0.116 0.000 2.242 731 Y HA -0.202 4.345 4.550 -0.006 0.000 0.291 731 Y C 2.200 178.101 175.900 0.001 0.000 1.137 731 Y CA 1.529 59.687 58.100 0.097 0.000 1.181 731 Y CB -0.671 37.907 38.460 0.197 0.000 0.989 731 Y HN 0.248 nan 8.280 nan 0.000 0.527 732 Y N 1.138 121.462 120.300 0.039 0.000 2.200 732 Y HA -0.220 4.326 4.550 -0.006 0.000 0.290 732 Y C 1.799 177.662 175.900 -0.062 0.000 1.137 732 Y CA 1.701 59.739 58.100 -0.104 0.000 1.163 732 Y CB -0.366 38.084 38.460 -0.015 0.000 0.988 732 Y HN 0.047 nan 8.280 nan 0.000 0.518 733 D N -0.177 120.344 120.400 0.203 0.000 2.178 733 D HA -0.088 4.548 4.640 -0.006 0.000 0.202 733 D C 1.885 178.173 176.300 -0.020 0.000 0.974 733 D CA 1.261 55.318 54.000 0.095 0.000 0.841 733 D CB -0.118 40.741 40.800 0.098 0.000 0.953 733 D HN 0.429 nan 8.370 nan 0.000 0.478 734 R N -0.365 120.116 120.500 -0.033 0.000 2.312 734 R HA 0.279 4.615 4.340 -0.006 0.000 0.205 734 R C 0.248 176.524 176.300 -0.040 0.000 0.904 734 R CA 0.135 56.208 56.100 -0.044 0.000 1.052 734 R CB 0.867 31.131 30.300 -0.060 0.000 1.014 734 R HN 0.124 nan 8.270 nan 0.000 0.503 735 I N 1.835 122.364 120.570 -0.070 0.000 2.464 735 I HA 0.214 4.381 4.170 -0.006 0.000 0.277 735 I C -1.861 174.169 176.117 -0.145 0.000 1.040 735 I CA -2.384 58.881 61.300 -0.059 0.000 1.153 735 I CB 1.951 39.949 38.000 -0.003 0.000 1.274 735 I HN -0.256 nan 8.210 nan 0.000 0.469 736 P HA -0.204 nan 4.420 nan 0.000 0.216 736 P C 1.194 178.409 177.300 -0.142 0.000 1.154 736 P CA 1.515 64.532 63.100 -0.138 0.000 0.865 736 P CB 0.342 31.992 31.700 -0.083 0.000 0.789 737 E N -1.138 119.020 120.200 -0.071 0.000 2.150 737 E HA -0.146 4.200 4.350 -0.006 0.000 0.193 737 E C 1.924 178.446 176.600 -0.129 0.000 0.985 737 E CA 0.532 56.911 56.400 -0.035 0.000 0.814 737 E CB -0.526 29.228 29.700 0.090 0.000 0.752 737 E HN 0.096 nan 8.360 nan 0.000 0.466 738 L N 1.148 122.201 121.223 -0.283 0.000 2.027 738 L HA -0.121 4.215 4.340 -0.006 0.000 0.206 738 L C 2.299 178.898 176.870 -0.452 0.000 1.074 738 L CA 1.661 56.151 54.840 -0.583 0.000 0.745 738 L CB -0.359 41.217 42.059 -0.805 0.000 0.898 738 L HN -0.118 nan 8.230 nan 0.000 0.433 739 R N -0.733 119.465 120.500 -0.504 0.000 2.096 739 R HA -0.260 4.076 4.340 -0.006 0.000 0.240 739 R C 2.476 178.595 176.300 -0.301 0.000 1.139 739 R CA 2.197 57.904 56.100 -0.655 0.000 0.952 739 R CB -0.438 29.442 30.300 -0.700 0.000 0.854 739 R HN 0.606 nan 8.270 nan 0.000 0.436 740 Q N 0.161 119.834 119.800 -0.213 0.000 2.096 740 Q HA -0.208 4.128 4.340 -0.006 0.000 0.204 740 Q C 2.022 177.984 176.000 -0.064 0.000 0.982 740 Q CA 2.091 57.820 55.803 -0.122 0.000 0.850 740 Q CB -0.101 28.573 28.738 -0.106 0.000 0.901 740 Q HN 0.467 nan 8.270 nan 0.000 0.422 741 I N 0.459 120.997 120.570 -0.053 0.000 2.202 741 I HA -0.274 3.892 4.170 -0.006 0.000 0.242 741 I C 2.099 178.269 176.117 0.087 0.000 1.091 741 I CA 0.540 61.863 61.300 0.038 0.000 1.368 741 I CB -0.298 37.702 38.000 0.000 0.000 1.058 741 I HN 0.261 nan 8.210 nan 0.000 0.410 742 I N 0.660 121.266 120.570 0.060 0.000 2.286 742 I HA -0.225 3.942 4.170 -0.006 0.000 0.248 742 I C 2.508 178.741 176.117 0.193 0.000 1.115 742 I CA 1.528 62.932 61.300 0.174 0.000 1.392 742 I CB -1.320 36.864 38.000 0.308 0.000 1.065 742 I HN 0.279 nan 8.210 nan 0.000 0.418 743 E N 0.455 120.743 120.200 0.147 0.000 2.208 743 E HA -0.161 4.185 4.350 -0.006 0.000 0.193 743 E C 2.170 178.842 176.600 0.119 0.000 0.988 743 E CA 0.673 57.151 56.400 0.130 0.000 0.828 743 E CB -0.171 29.575 29.700 0.076 0.000 0.763 743 E HN 0.579 nan 8.360 nan 0.000 0.478 744 Q N 0.066 119.932 119.800 0.111 0.000 2.079 744 Q HA -0.037 4.299 4.340 -0.006 0.000 0.200 744 Q C 2.378 178.573 176.000 0.325 0.000 0.974 744 Q CA 0.819 56.706 55.803 0.140 0.000 0.840 744 Q CB -0.010 28.788 28.738 0.100 0.000 0.898 744 Q HN 0.244 nan 8.270 nan 0.000 0.430 745 L N -0.259 121.175 121.223 0.351 0.000 2.005 745 L HA -0.169 4.167 4.340 -0.006 0.000 0.207 745 L C 2.419 179.487 176.870 0.331 0.000 1.072 745 L CA 1.002 56.074 54.840 0.386 0.000 0.744 745 L CB -0.371 41.839 42.059 0.252 0.000 0.895 745 L HN 0.102 nan 8.230 nan 0.000 0.433 746 S N -0.375 115.472 115.700 0.245 0.000 2.399 746 S HA -0.140 4.326 4.470 -0.006 0.000 0.231 746 S C 2.028 176.729 174.600 0.169 0.000 1.022 746 S CA 1.465 59.784 58.200 0.198 0.000 0.983 746 S CB -0.204 63.096 63.200 0.166 0.000 0.803 746 S HN 0.606 nan 8.310 nan 0.000 0.480 747 S N 0.081 115.882 115.700 0.168 0.000 2.548 747 S HA 0.387 4.853 4.470 -0.006 0.000 0.215 747 S C 1.369 176.054 174.600 0.142 0.000 0.976 747 S CA 0.589 58.870 58.200 0.135 0.000 0.908 747 S CB 0.186 63.452 63.200 0.110 0.000 0.781 747 S HN 0.732 nan 8.310 nan 0.000 0.519 748 G N 0.804 109.718 108.800 0.189 0.000 2.131 748 G HA2 -0.282 3.674 3.960 -0.006 0.000 0.223 748 G HA3 -0.282 3.674 3.960 -0.006 0.000 0.223 748 G C 0.192 175.178 174.900 0.143 0.000 0.990 748 G CA 0.110 45.308 45.100 0.163 0.000 0.671 748 G HN 0.529 nan 8.290 nan 0.000 0.521 749 F N 0.375 120.314 119.950 -0.018 0.000 2.269 749 F HA 0.265 4.788 4.527 -0.007 0.000 0.301 749 F C 1.663 177.237 175.800 -0.377 0.000 1.082 749 F CA 1.437 59.303 58.000 -0.224 0.000 1.360 749 F CB -0.044 38.743 39.000 -0.355 0.000 1.041 749 F HN 0.151 nan 8.300 nan 0.000 0.512 750 F N -0.193 119.798 119.950 0.069 0.000 2.641 750 F HA 0.231 4.754 4.527 -0.006 0.000 0.302 750 F C 0.588 176.458 175.800 0.116 0.000 1.098 750 F CA 0.224 58.222 58.000 -0.003 0.000 1.318 750 F CB -0.144 38.895 39.000 0.066 0.000 1.035 750 F HN 0.017 nan 8.300 nan 0.000 0.551 751 S N -1.492 114.309 115.700 0.168 0.000 2.787 751 S HA 0.215 4.681 4.470 -0.006 0.000 0.140 751 S C -2.300 172.307 174.600 0.013 0.000 1.240 751 S CA -0.811 57.433 58.200 0.074 0.000 1.163 751 S CB 0.518 63.716 63.200 -0.004 0.000 1.652 751 S HN -0.131 nan 8.310 nan 0.000 0.443 752 P HA -0.128 nan 4.420 nan 0.000 0.216 752 P C 0.892 178.185 177.300 -0.011 0.000 1.150 752 P CA 1.342 64.428 63.100 -0.024 0.000 0.837 752 P CB -0.006 31.660 31.700 -0.058 0.000 0.786 753 K N -0.912 119.479 120.400 -0.015 0.000 2.432 753 K HA -0.003 4.313 4.320 -0.006 0.000 0.196 753 K C 1.417 178.013 176.600 -0.006 0.000 1.038 753 K CA 0.496 56.778 56.287 -0.009 0.000 0.986 753 K CB 0.090 32.585 32.500 -0.008 0.000 0.782 753 K HN 0.182 nan 8.250 nan 0.000 0.485 754 Q N -0.008 119.784 119.800 -0.013 0.000 3.605 754 Q HA 0.132 4.468 4.340 -0.006 0.000 0.222 754 Q C -2.424 173.561 176.000 -0.025 0.000 0.915 754 Q CA -1.680 54.111 55.803 -0.020 0.000 0.731 754 Q CB 1.143 29.863 28.738 -0.030 0.000 1.423 754 Q HN -0.120 nan 8.270 nan 0.000 0.446 755 P HA -0.215 nan 4.420 nan 0.000 0.218 755 P C 0.544 177.870 177.300 0.044 0.000 1.152 755 P CA 1.647 64.769 63.100 0.036 0.000 0.857 755 P CB 0.193 31.918 31.700 0.041 0.000 0.787 756 D N -1.515 118.897 120.400 0.020 0.000 2.342 756 D HA -0.016 4.620 4.640 -0.006 0.000 0.221 756 D C 1.578 177.866 176.300 -0.019 0.000 1.101 756 D CA -0.227 53.791 54.000 0.031 0.000 0.837 756 D CB -0.860 39.962 40.800 0.038 0.000 0.938 756 D HN 0.009 nan 8.370 nan 0.000 0.508 757 L N -0.126 121.016 121.223 -0.137 0.000 2.043 757 L HA -0.102 4.234 4.340 -0.006 0.000 0.212 757 L C 0.999 177.624 176.870 -0.408 0.000 1.075 757 L CA 1.636 56.270 54.840 -0.344 0.000 0.752 757 L CB -0.585 41.077 42.059 -0.662 0.000 0.891 757 L HN -0.031 nan 8.230 nan 0.000 0.432 758 F N -0.353 119.649 119.950 0.087 0.000 2.668 758 F HA 0.173 4.696 4.527 -0.006 0.000 0.297 758 F C 1.847 177.701 175.800 0.090 0.000 1.124 758 F CA -0.068 57.976 58.000 0.073 0.000 1.353 758 F CB -0.829 38.204 39.000 0.055 0.000 0.992 758 F HN 0.148 nan 8.300 nan 0.000 0.524 759 K N -0.388 120.128 120.400 0.193 0.000 2.103 759 K HA -0.196 4.120 4.320 -0.006 0.000 0.207 759 K C 0.938 177.645 176.600 0.179 0.000 1.048 759 K CA 2.059 58.449 56.287 0.171 0.000 0.930 759 K CB -0.257 32.317 32.500 0.124 0.000 0.716 759 K HN 0.059 nan 8.250 nan 0.000 0.444 760 D N 1.271 121.784 120.400 0.188 0.000 2.144 760 D HA -0.062 4.574 4.640 -0.006 0.000 0.200 760 D C 2.047 178.454 176.300 0.178 0.000 0.978 760 D CA 1.056 55.173 54.000 0.195 0.000 0.833 760 D CB -0.087 40.866 40.800 0.254 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.470 761 I N 0.341 121.019 120.570 0.180 0.000 2.202 761 I HA -0.211 3.956 4.170 -0.006 0.000 0.242 761 I C 2.382 178.570 176.117 0.119 0.000 1.091 761 I CA 0.600 61.977 61.300 0.129 0.000 1.368 761 I CB -0.277 37.788 38.000 0.109 0.000 1.058 761 I HN -0.106 nan 8.210 nan 0.000 0.410 762 V N 1.359 121.363 119.914 0.151 0.000 2.287 762 V HA -0.321 3.796 4.120 -0.006 0.000 0.248 762 V C 2.253 178.404 176.094 0.095 0.000 1.053 762 V CA 2.514 64.895 62.300 0.134 0.000 1.027 762 V CB -1.045 30.875 31.823 0.162 0.000 0.646 762 V HN 0.498 nan 8.190 nan 0.000 0.447 763 N N -0.265 118.526 118.700 0.150 0.000 2.166 763 N HA -0.209 4.527 4.740 -0.006 0.000 0.186 763 N C 1.845 177.489 175.510 0.224 0.000 1.019 763 N CA 1.725 54.911 53.050 0.225 0.000 0.856 763 N CB -0.251 38.395 38.487 0.266 0.000 0.993 763 N HN 0.364 nan 8.380 nan 0.000 0.426 764 M N 0.227 119.937 119.600 0.183 0.000 2.067 764 M HA -0.109 4.367 4.480 -0.006 0.000 0.260 764 M C 1.769 178.090 176.300 0.034 0.000 1.069 764 M CA 1.347 56.756 55.300 0.181 0.000 1.117 764 M CB -0.651 32.041 32.600 0.153 0.000 1.334 764 M HN 0.284 nan 8.290 nan 0.000 0.407 765 L N 0.073 121.256 121.223 -0.066 0.000 2.012 765 L HA -0.289 4.047 4.340 -0.006 0.000 0.210 765 L C 2.658 179.232 176.870 -0.492 0.000 1.073 765 L CA 1.204 55.858 54.840 -0.309 0.000 0.748 765 L CB -0.712 41.192 42.059 -0.258 0.000 0.891 765 L HN 0.330 nan 8.230 nan 0.000 0.431 766 M N -1.227 118.144 119.600 -0.381 0.000 2.175 766 M HA -0.134 4.342 4.480 -0.006 0.000 0.264 766 M C 1.863 177.685 176.300 -0.798 0.000 1.063 766 M CA 1.780 56.722 55.300 -0.597 0.000 1.119 766 M CB -0.922 31.207 32.600 -0.785 0.000 1.377 766 M HN 0.374 nan 8.290 nan 0.000 0.415 767 H N -3.286 115.679 119.070 -0.176 0.000 3.457 767 H HA 0.241 4.793 4.556 -0.006 0.000 0.255 767 H C 0.125 175.066 175.328 -0.646 0.000 1.082 767 H CA 0.287 56.093 56.048 -0.403 0.000 1.189 767 H CB 0.314 29.777 29.762 -0.498 0.000 1.511 767 H HN 0.485 nan 8.280 nan 0.000 0.527 768 H N 0.466 119.591 119.070 0.092 0.000 2.779 768 H HA 0.164 4.716 4.556 -0.006 0.000 0.230 768 H C -0.731 174.626 175.328 0.050 0.000 1.365 768 H CA -0.337 55.759 56.048 0.080 0.000 1.086 768 H CB 0.792 30.610 29.762 0.093 0.000 2.038 768 H HN 0.001 nan 8.280 nan 0.000 0.558 769 D N 0.939 121.392 120.400 0.089 0.000 2.441 769 D HA 0.119 4.755 4.640 -0.006 0.000 0.221 769 D C 0.971 177.226 176.300 -0.074 0.000 1.156 769 D CA -0.245 53.781 54.000 0.043 0.000 0.896 769 D CB 0.552 41.355 40.800 0.006 0.000 1.028 769 D HN 0.324 nan 8.370 nan 0.000 0.509 770 R N 2.146 122.505 120.500 -0.235 0.000 2.237 770 R HA -0.030 4.306 4.340 -0.006 0.000 0.219 770 R C 0.668 176.440 176.300 -0.879 0.000 1.080 770 R CA 0.836 56.581 56.100 -0.591 0.000 0.995 770 R CB 0.131 29.899 30.300 -0.886 0.000 0.875 770 R HN 0.389 nan 8.270 nan 0.000 0.462 771 F N 0.630 120.537 119.950 -0.073 0.000 2.641 771 F HA 0.238 4.762 4.527 -0.006 0.000 0.302 771 F C 0.050 175.718 175.800 -0.219 0.000 1.098 771 F CA -0.632 57.307 58.000 -0.101 0.000 1.318 771 F CB 0.045 39.044 39.000 -0.002 0.000 1.035 771 F HN -0.263 nan 8.300 nan 0.000 0.551 772 K N -0.251 119.920 120.400 -0.380 0.000 3.490 772 K HA -0.186 4.130 4.320 -0.006 0.000 0.273 772 K C 0.997 177.455 176.600 -0.236 0.000 0.916 772 K CA 0.130 56.011 56.287 -0.676 0.000 0.718 772 K CB -1.659 30.327 32.500 -0.857 0.000 1.477 772 K HN 0.216 nan 8.250 nan 0.000 0.452 773 V N 0.179 120.044 119.914 -0.083 0.000 2.261 773 V HA -0.275 3.841 4.120 -0.006 0.000 0.246 773 V C 2.003 178.231 176.094 0.222 0.000 1.047 773 V CA 2.037 64.376 62.300 0.065 0.000 1.015 773 V CB -0.459 31.412 31.823 0.080 0.000 0.642 773 V HN 0.457 nan 8.190 nan 0.000 0.446 774 F N 0.928 120.885 119.950 0.012 0.000 2.161 774 F HA -0.167 4.356 4.527 -0.007 0.000 0.300 774 F C 2.477 178.126 175.800 -0.251 0.000 1.089 774 F CA 1.001 58.968 58.000 -0.055 0.000 1.282 774 F CB -1.560 37.406 39.000 -0.057 0.000 1.010 774 F HN 0.175 nan 8.300 nan 0.000 0.485 775 A N -0.783 121.886 122.820 -0.252 0.000 2.125 775 A HA -0.154 4.162 4.320 -0.006 0.000 0.219 775 A C 1.541 179.163 177.584 0.064 0.000 1.156 775 A CA 1.882 53.723 52.037 -0.326 0.000 0.671 775 A CB -0.483 18.389 19.000 -0.214 0.000 0.794 775 A HN 0.235 nan 8.150 nan 0.000 0.459 776 D N -3.095 117.392 120.400 0.145 0.000 2.433 776 D HA 0.113 4.750 4.640 -0.006 0.000 0.211 776 D C 1.040 177.530 176.300 0.318 0.000 1.114 776 D CA -0.156 53.996 54.000 0.254 0.000 0.837 776 D CB -0.093 40.861 40.800 0.257 0.000 0.984 776 D HN 0.511 nan 8.370 nan 0.000 0.505 777 Y N 2.168 122.580 120.300 0.186 0.000 2.097 777 Y HA -0.200 4.347 4.550 -0.006 0.000 0.282 777 Y C 1.957 177.949 175.900 0.153 0.000 1.152 777 Y CA 1.911 60.123 58.100 0.187 0.000 1.136 777 Y CB 0.186 38.731 38.460 0.142 0.000 0.975 777 Y HN -0.089 nan 8.280 nan 0.000 0.498 778 E N -0.341 119.940 120.200 0.135 0.000 2.051 778 E HA -0.205 4.141 4.350 -0.006 0.000 0.192 778 E C 2.076 178.644 176.600 -0.052 0.000 0.991 778 E CA 1.289 57.679 56.400 -0.016 0.000 0.799 778 E CB -0.105 29.686 29.700 0.150 0.000 0.748 778 E HN 0.508 nan 8.360 nan 0.000 0.449 779 E N 0.216 120.464 120.200 0.079 0.000 2.150 779 E HA -0.174 4.172 4.350 -0.006 0.000 0.193 779 E C 1.841 178.423 176.600 -0.030 0.000 0.985 779 E CA 0.731 57.195 56.400 0.106 0.000 0.814 779 E CB -0.305 29.554 29.700 0.264 0.000 0.752 779 E HN 0.335 nan 8.360 nan 0.000 0.466 780 Y N 1.413 121.513 120.300 -0.334 0.000 2.163 780 Y HA -0.177 4.369 4.550 -0.007 0.000 0.288 780 Y C 2.238 177.727 175.900 -0.685 0.000 1.136 780 Y CA 0.918 58.480 58.100 -0.896 0.000 1.147 780 Y CB -0.456 37.552 38.460 -0.755 0.000 0.987 780 Y HN -0.206 nan 8.280 nan 0.000 0.509 781 V N 0.600 120.133 119.914 -0.636 0.000 2.343 781 V HA -0.310 3.807 4.120 -0.006 0.000 0.247 781 V C 2.263 178.105 176.094 -0.420 0.000 1.051 781 V CA 2.325 64.254 62.300 -0.619 0.000 1.036 781 V CB -0.594 30.911 31.823 -0.530 0.000 0.654 781 V HN 0.295 nan 8.190 nan 0.000 0.451 782 K N -0.838 119.391 120.400 -0.284 0.000 2.057 782 K HA -0.192 4.124 4.320 -0.006 0.000 0.207 782 K C 2.296 178.805 176.600 -0.152 0.000 1.049 782 K CA 1.697 57.890 56.287 -0.157 0.000 0.931 782 K CB -0.642 31.817 32.500 -0.068 0.000 0.714 782 K HN 0.515 nan 8.250 nan 0.000 0.440 783 C N 1.379 120.564 119.300 -0.191 0.000 2.425 783 C HA -0.111 4.345 4.460 -0.006 0.000 0.277 783 C C 2.604 177.442 174.990 -0.252 0.000 1.280 783 C CA 0.876 59.826 59.018 -0.114 0.000 1.744 783 C CB -0.650 27.033 27.740 -0.095 0.000 1.989 783 C HN 0.433 nan 8.230 nan 0.000 0.491 784 Q N 0.375 119.870 119.800 -0.508 0.000 2.167 784 Q HA -0.154 4.182 4.340 -0.006 0.000 0.202 784 Q C 2.026 177.844 176.000 -0.303 0.000 0.970 784 Q CA 1.546 57.012 55.803 -0.563 0.000 0.855 784 Q CB -0.378 27.754 28.738 -1.010 0.000 0.911 784 Q HN 0.758 nan 8.270 nan 0.000 0.438 785 E N 0.266 120.339 120.200 -0.213 0.000 2.077 785 E HA -0.144 4.202 4.350 -0.006 0.000 0.193 785 E C 2.103 178.674 176.600 -0.049 0.000 0.989 785 E CA 0.635 56.974 56.400 -0.101 0.000 0.800 785 E CB -0.021 29.636 29.700 -0.072 0.000 0.746 785 E HN 0.238 nan 8.360 nan 0.000 0.452 786 R N 0.412 120.899 120.500 -0.021 0.000 2.120 786 R HA -0.111 4.225 4.340 -0.006 0.000 0.234 786 R C 2.404 178.741 176.300 0.063 0.000 1.123 786 R CA 0.925 57.087 56.100 0.103 0.000 0.975 786 R CB -0.317 30.128 30.300 0.242 0.000 0.866 786 R HN 0.083 nan 8.270 nan 0.000 0.446 787 V N 0.394 120.153 119.914 -0.259 0.000 2.295 787 V HA -0.244 3.873 4.120 -0.006 0.000 0.246 787 V C 2.210 178.289 176.094 -0.024 0.000 1.049 787 V CA 1.932 63.944 62.300 -0.479 0.000 1.024 787 V CB -0.362 31.099 31.823 -0.604 0.000 0.648 787 V HN 0.289 nan 8.190 nan 0.000 0.447 788 S N -0.036 115.632 115.700 -0.054 0.000 2.370 788 S HA -0.200 4.266 4.470 -0.006 0.000 0.226 788 S C 2.202 176.872 174.600 0.117 0.000 1.033 788 S CA 1.447 59.653 58.200 0.010 0.000 1.011 788 S CB -0.505 62.673 63.200 -0.036 0.000 0.852 788 S HN 0.657 nan 8.310 nan 0.000 0.457 789 A N 1.241 124.130 122.820 0.115 0.000 1.883 789 A HA -0.086 4.230 4.320 -0.006 0.000 0.217 789 A C 2.121 179.823 177.584 0.197 0.000 1.186 789 A CA 1.536 53.657 52.037 0.141 0.000 0.624 789 A CB -0.763 18.310 19.000 0.123 0.000 0.822 789 A HN 0.434 nan 8.150 nan 0.000 0.444 790 L N -2.004 119.390 121.223 0.286 0.000 2.141 790 L HA -0.097 4.240 4.340 -0.006 0.000 0.209 790 L C 2.234 179.378 176.870 0.456 0.000 1.094 790 L CA 1.914 56.985 54.840 0.384 0.000 0.763 790 L CB -0.762 41.607 42.059 0.518 0.000 0.908 790 L HN 0.499 nan 8.230 nan 0.000 0.437 791 Y N 0.185 120.653 120.300 0.281 0.000 2.333 791 Y HA -0.224 4.323 4.550 -0.005 0.000 0.290 791 Y C 2.314 178.175 175.900 -0.065 0.000 1.144 791 Y CA 1.565 59.598 58.100 -0.112 0.000 1.228 791 Y CB -0.070 38.077 38.460 -0.521 0.000 0.985 791 Y HN 0.171 nan 8.280 nan 0.000 0.542 792 K N -0.088 120.377 120.400 0.109 0.000 2.362 792 K HA -0.126 4.190 4.320 -0.006 0.000 0.200 792 K C 0.355 176.951 176.600 -0.008 0.000 1.046 792 K CA 0.705 57.031 56.287 0.066 0.000 0.952 792 K CB -0.067 32.499 32.500 0.110 0.000 0.753 792 K HN 0.044 nan 8.250 nan 0.000 0.466 793 N N 0.401 119.107 118.700 0.011 0.000 2.898 793 N HA 0.134 4.870 4.740 -0.006 0.000 0.245 793 N C -2.437 173.070 175.510 -0.005 0.000 1.185 793 N CA -2.205 50.852 53.050 0.011 0.000 0.879 793 N CB 1.121 39.645 38.487 0.061 0.000 1.157 793 N HN -0.194 nan 8.380 nan 0.000 0.503 794 P HA -0.225 nan 4.420 nan 0.000 0.217 794 P C 1.417 178.719 177.300 0.003 0.000 1.158 794 P CA 1.317 64.336 63.100 -0.135 0.000 0.887 794 P CB 0.347 31.947 31.700 -0.166 0.000 0.792 795 R N -0.044 120.460 120.500 0.006 0.000 2.083 795 R HA -0.179 4.158 4.340 -0.006 0.000 0.237 795 R C 1.971 178.306 176.300 0.059 0.000 1.137 795 R CA 1.584 57.701 56.100 0.028 0.000 0.951 795 R CB -0.442 29.868 30.300 0.017 0.000 0.851 795 R HN 0.085 nan 8.270 nan 0.000 0.434 796 E N -0.144 120.100 120.200 0.073 0.000 2.208 796 E HA -0.200 4.146 4.350 -0.006 0.000 0.193 796 E C 1.544 178.208 176.600 0.107 0.000 0.988 796 E CA 0.568 57.015 56.400 0.078 0.000 0.828 796 E CB -0.381 29.364 29.700 0.076 0.000 0.763 796 E HN 0.535 nan 8.360 nan 0.000 0.478 797 W N 2.082 123.367 121.300 -0.025 0.000 2.355 797 W HA -0.169 4.487 4.660 -0.007 0.000 0.309 797 W C 1.522 178.036 176.519 -0.008 0.000 1.206 797 W CA 1.994 59.334 57.345 -0.009 0.000 1.284 797 W CB -0.379 29.016 29.460 -0.109 0.000 1.145 797 W HN 0.016 nan 8.180 nan 0.000 0.502 798 T N 1.227 115.895 114.554 0.191 0.000 2.788 798 T HA -0.172 4.174 4.350 -0.006 0.000 0.268 798 T C 1.868 176.571 174.700 0.005 0.000 1.044 798 T CA 1.675 63.830 62.100 0.091 0.000 1.139 798 T CB -0.323 68.588 68.868 0.072 0.000 0.867 798 T HN 0.164 nan 8.240 nan 0.000 0.454 799 R N 0.313 120.823 120.500 0.016 0.000 2.115 799 R HA 0.111 4.447 4.340 -0.006 0.000 0.230 799 R C 2.473 178.762 176.300 -0.018 0.000 1.111 799 R CA 1.096 57.207 56.100 0.020 0.000 0.976 799 R CB -0.303 30.015 30.300 0.030 0.000 0.870 799 R HN 0.373 nan 8.270 nan 0.000 0.445 800 M N 0.331 119.883 119.600 -0.080 0.000 2.200 800 M HA -0.116 4.360 4.480 -0.006 0.000 0.265 800 M C 1.890 178.102 176.300 -0.146 0.000 1.066 800 M CA 1.250 56.472 55.300 -0.129 0.000 1.127 800 M CB 0.243 32.714 32.600 -0.214 0.000 1.379 800 M HN -0.035 nan 8.290 nan 0.000 0.420 801 V N 0.827 120.627 119.914 -0.189 0.000 2.295 801 V HA -0.302 3.814 4.120 -0.006 0.000 0.246 801 V C 2.185 178.260 176.094 -0.032 0.000 1.049 801 V CA 1.974 64.192 62.300 -0.137 0.000 1.024 801 V CB -0.563 31.200 31.823 -0.101 0.000 0.648 801 V HN 0.492 nan 8.190 nan 0.000 0.447 802 I N -0.455 120.119 120.570 0.007 0.000 2.264 802 I HA -0.283 3.883 4.170 -0.006 0.000 0.248 802 I C 2.619 178.789 176.117 0.089 0.000 1.111 802 I CA 1.664 63.019 61.300 0.091 0.000 1.382 802 I CB -0.378 37.726 38.000 0.172 0.000 1.060 802 I HN 0.196 nan 8.210 nan 0.000 0.418 803 R N 0.239 120.768 120.500 0.048 0.000 2.189 803 R HA -0.082 4.255 4.340 -0.006 0.000 0.223 803 R C 1.959 178.295 176.300 0.061 0.000 1.092 803 R CA 0.875 57.003 56.100 0.047 0.000 0.989 803 R CB -0.317 29.995 30.300 0.020 0.000 0.876 803 R HN 0.515 nan 8.270 nan 0.000 0.457 804 N N 0.439 119.169 118.700 0.049 0.000 2.197 804 N HA -0.016 4.720 4.740 -0.006 0.000 0.184 804 N C 1.873 177.444 175.510 0.102 0.000 1.030 804 N CA 0.887 53.987 53.050 0.083 0.000 0.851 804 N CB 0.090 38.592 38.487 0.026 0.000 1.003 804 N HN 0.079 nan 8.380 nan 0.000 0.430 805 I N 1.832 122.450 120.570 0.081 0.000 2.151 805 I HA -0.259 3.907 4.170 -0.006 0.000 0.243 805 I C 2.420 178.593 176.117 0.093 0.000 1.080 805 I CA 1.064 62.417 61.300 0.089 0.000 1.339 805 I CB -0.346 37.701 38.000 0.078 0.000 1.039 805 I HN 0.089 nan 8.210 nan 0.000 0.409 806 A N 0.215 123.091 122.820 0.093 0.000 2.125 806 A HA -0.174 4.142 4.320 -0.006 0.000 0.219 806 A C 2.021 179.647 177.584 0.069 0.000 1.156 806 A CA 2.101 54.183 52.037 0.076 0.000 0.671 806 A CB -0.882 18.166 19.000 0.080 0.000 0.794 806 A HN 0.564 nan 8.150 nan 0.000 0.459 807 T N -3.290 111.320 114.554 0.094 0.000 3.182 807 T HA 0.198 4.544 4.350 -0.006 0.000 0.277 807 T C 1.143 175.939 174.700 0.160 0.000 1.013 807 T CA 0.604 62.763 62.100 0.098 0.000 0.900 807 T CB -0.159 68.767 68.868 0.097 0.000 1.098 807 T HN 0.480 nan 8.240 nan 0.000 0.543 808 S N 0.283 116.094 115.700 0.185 0.000 2.562 808 S HA 0.225 4.691 4.470 -0.006 0.000 0.221 808 S C 2.255 176.981 174.600 0.209 0.000 0.975 808 S CA 0.359 58.742 58.200 0.304 0.000 0.918 808 S CB -0.720 62.632 63.200 0.253 0.000 0.772 808 S HN 0.529 nan 8.310 nan 0.000 0.531 809 G N 2.835 111.683 108.800 0.080 0.000 2.503 809 G HA2 -0.332 3.624 3.960 -0.006 0.000 0.221 809 G HA3 -0.332 3.624 3.960 -0.006 0.000 0.221 809 G C 1.318 176.156 174.900 -0.103 0.000 1.131 809 G CA 1.151 46.260 45.100 0.016 0.000 0.756 809 G HN 0.643 nan 8.290 nan 0.000 0.572 810 K N -0.233 119.979 120.400 -0.314 0.000 2.281 810 K HA -0.040 4.276 4.320 -0.006 0.000 0.203 810 K C 0.994 177.196 176.600 -0.663 0.000 1.046 810 K CA 0.714 56.664 56.287 -0.561 0.000 0.938 810 K CB -0.250 31.749 32.500 -0.836 0.000 0.737 810 K HN 0.343 nan 8.250 nan 0.000 0.458 811 F N 1.065 121.046 119.950 0.053 0.000 2.663 811 F HA 0.183 4.706 4.527 -0.007 0.000 0.299 811 F C 0.684 176.533 175.800 0.081 0.000 1.143 811 F CA -0.410 57.628 58.000 0.063 0.000 1.387 811 F CB 0.083 39.118 39.000 0.058 0.000 1.019 811 F HN -0.112 nan 8.300 nan 0.000 0.523 812 S N -0.041 115.732 115.700 0.122 0.000 2.537 812 S HA 0.177 4.643 4.470 -0.006 0.000 0.275 812 S C 1.381 176.064 174.600 0.139 0.000 1.272 812 S CA -0.188 58.091 58.200 0.131 0.000 1.050 812 S CB 0.950 64.199 63.200 0.081 0.000 0.961 812 S HN 0.296 nan 8.310 nan 0.000 0.496 813 S N 3.049 118.860 115.700 0.185 0.000 2.507 813 S HA -0.061 4.406 4.470 -0.006 0.000 0.235 813 S C 0.863 175.535 174.600 0.120 0.000 0.988 813 S CA 0.605 58.944 58.200 0.231 0.000 0.944 813 S CB -0.376 63.036 63.200 0.353 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.799 122.246 120.400 0.079 0.000 2.178 814 D HA -0.059 4.577 4.640 -0.006 0.000 0.202 814 D C 2.056 178.361 176.300 0.009 0.000 0.974 814 D CA 0.682 54.703 54.000 0.035 0.000 0.841 814 D CB -0.289 40.528 40.800 0.029 0.000 0.953 814 D HN 0.294 nan 8.370 nan 0.000 0.478 815 R N 0.757 121.262 120.500 0.009 0.000 2.066 815 R HA -0.076 4.260 4.340 -0.006 0.000 0.232 815 R C 1.847 178.128 176.300 -0.032 0.000 1.131 815 R CA 1.357 57.443 56.100 -0.023 0.000 0.955 815 R CB -0.682 29.590 30.300 -0.047 0.000 0.851 815 R HN 0.106 nan 8.270 nan 0.000 0.432 816 T N 2.333 116.891 114.554 0.008 0.000 2.652 816 T HA -0.139 4.207 4.350 -0.006 0.000 0.267 816 T C 1.946 176.631 174.700 -0.027 0.000 1.039 816 T CA 1.423 63.536 62.100 0.022 0.000 1.153 816 T CB -0.161 68.809 68.868 0.170 0.000 0.863 816 T HN 0.100 nan 8.240 nan 0.000 0.428 817 I N 1.737 122.236 120.570 -0.118 0.000 2.226 817 I HA -0.117 4.049 4.170 -0.006 0.000 0.245 817 I C 2.926 178.980 176.117 -0.105 0.000 1.100 817 I CA 1.053 62.239 61.300 -0.189 0.000 1.374 817 I CB -1.631 36.258 38.000 -0.185 0.000 1.057 817 I HN 0.207 nan 8.210 nan 0.000 0.413 818 A N 0.005 122.787 122.820 -0.064 0.000 1.978 818 A HA -0.237 4.080 4.320 -0.006 0.000 0.220 818 A C 2.240 179.763 177.584 -0.102 0.000 1.170 818 A CA 1.415 53.421 52.037 -0.052 0.000 0.636 818 A CB -0.524 18.456 19.000 -0.034 0.000 0.810 818 A HN 0.527 nan 8.150 nan 0.000 0.448 819 Q N -1.901 117.813 119.800 -0.143 0.000 2.083 819 Q HA -0.158 4.178 4.340 -0.006 0.000 0.198 819 Q C 1.924 177.723 176.000 -0.334 0.000 0.969 819 Q CA 1.570 57.245 55.803 -0.213 0.000 0.838 819 Q CB -0.289 28.306 28.738 -0.239 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.640 120.620 120.300 -0.532 0.000 2.128 820 Y HA -0.284 4.262 4.550 -0.007 0.000 0.284 820 Y C 2.446 177.712 175.900 -1.056 0.000 1.154 820 Y CA 1.322 58.844 58.100 -0.964 0.000 1.149 820 Y CB -0.479 37.112 38.460 -1.448 0.000 0.976 820 Y HN 0.157 nan 8.280 nan 0.000 0.505 821 A N 0.331 122.870 122.820 -0.469 0.000 1.851 821 A HA -0.239 4.077 4.320 -0.006 0.000 0.216 821 A C 2.252 179.833 177.584 -0.005 0.000 1.195 821 A CA 2.169 54.200 52.037 -0.011 0.000 0.622 821 A CB -0.629 18.454 19.000 0.139 0.000 0.831 821 A HN 0.435 nan 8.150 nan 0.000 0.444 822 R N -0.595 119.870 120.500 -0.059 0.000 2.073 822 R HA -0.047 4.290 4.340 -0.006 0.000 0.229 822 R C 1.981 178.250 176.300 -0.052 0.000 1.120 822 R CA 1.523 57.602 56.100 -0.035 0.000 0.967 822 R CB -0.227 30.049 30.300 -0.041 0.000 0.862 822 R HN 0.666 nan 8.270 nan 0.000 0.436 823 E N -0.390 119.739 120.200 -0.119 0.000 2.318 823 E HA 0.053 4.399 4.350 -0.006 0.000 0.193 823 E C 1.469 178.016 176.600 -0.088 0.000 0.998 823 E CA 0.580 56.916 56.400 -0.106 0.000 0.859 823 E CB 0.448 30.057 29.700 -0.153 0.000 0.812 823 E HN 0.319 nan 8.360 nan 0.000 0.492 824 I N -1.223 119.258 120.570 -0.147 0.000 3.739 824 I HA 0.004 4.170 4.170 -0.006 0.000 0.272 824 I C 1.369 177.610 176.117 0.207 0.000 1.167 824 I CA -0.123 61.153 61.300 -0.041 0.000 1.386 824 I CB 0.164 38.020 38.000 -0.241 0.000 1.490 824 I HN 0.113 nan 8.210 nan 0.000 0.452 825 W N 1.580 122.966 121.300 0.144 0.000 2.467 825 W HA 0.214 4.871 4.660 -0.006 0.000 0.275 825 W C 1.650 178.204 176.519 0.057 0.000 1.239 825 W CA 1.106 58.517 57.345 0.111 0.000 1.266 825 W CB -1.201 28.305 29.460 0.076 0.000 1.112 825 W HN 0.375 nan 8.180 nan 0.000 0.576 826 G N 0.522 109.456 108.800 0.223 0.000 2.182 826 G HA2 -0.129 3.827 3.960 -0.006 0.000 0.248 826 G HA3 -0.129 3.827 3.960 -0.006 0.000 0.248 826 G C -0.239 174.729 174.900 0.114 0.000 1.042 826 G CA 0.198 45.373 45.100 0.125 0.000 0.775 826 G HN 0.478 nan 8.290 nan 0.000 0.501 827 V N -3.221 116.782 119.914 0.148 0.000 2.914 827 V HA 0.943 5.060 4.120 -0.006 0.000 0.314 827 V C -0.340 175.808 176.094 0.091 0.000 1.084 827 V CA -1.221 61.146 62.300 0.110 0.000 0.963 827 V CB 2.265 34.159 31.823 0.119 0.000 1.025 827 V HN 0.440 nan 8.190 nan 0.000 0.432 828 E N 4.597 124.835 120.200 0.063 0.000 2.134 828 E HA 0.619 4.966 4.350 -0.006 0.000 0.278 828 E C -2.391 174.240 176.600 0.053 0.000 0.959 828 E CA -2.066 54.363 56.400 0.049 0.000 0.783 828 E CB 1.325 31.046 29.700 0.035 0.000 1.095 828 E HN 0.800 nan 8.360 nan 0.000 0.399 829 P HA 0.117 nan 4.420 nan 0.000 0.271 829 P C -0.909 176.416 177.300 0.043 0.000 1.233 829 P CA -0.393 62.737 63.100 0.050 0.000 0.789 829 P CB 0.963 32.686 31.700 0.040 0.000 0.951 830 S N 0.121 115.848 115.700 0.045 0.000 2.542 830 S HA 0.362 4.828 4.470 -0.006 0.000 0.276 830 S C 0.052 174.676 174.600 0.041 0.000 1.148 830 S CA -0.808 57.417 58.200 0.042 0.000 0.886 830 S CB 1.292 64.522 63.200 0.050 0.000 1.109 830 S HN 0.252 nan 8.310 nan 0.000 0.458 831 R N 1.521 122.041 120.500 0.033 0.000 2.427 831 R HA 0.247 4.583 4.340 -0.006 0.000 0.262 831 R C 0.152 176.465 176.300 0.022 0.000 0.943 831 R CA -0.174 55.945 56.100 0.032 0.000 1.081 831 R CB -0.145 30.175 30.300 0.033 0.000 1.166 831 R HN 0.723 nan 8.270 nan 0.000 0.534 832 Q N 1.673 121.485 119.800 0.020 0.000 2.313 832 Q HA 0.059 4.395 4.340 -0.006 0.000 0.266 832 Q C -0.278 175.718 176.000 -0.006 0.000 0.989 832 Q CA 0.178 55.986 55.803 0.008 0.000 0.890 832 Q CB 0.503 29.248 28.738 0.013 0.000 1.200 832 Q HN -0.052 nan 8.270 nan 0.000 0.396 833 R N 2.797 123.285 120.500 -0.020 0.000 2.643 833 R HA 0.240 4.576 4.340 -0.006 0.000 0.270 833 R C -0.715 175.550 176.300 -0.059 0.000 1.061 833 R CA -0.360 55.717 56.100 -0.038 0.000 1.107 833 R CB 0.336 30.611 30.300 -0.041 0.000 0.999 833 R HN 0.603 nan 8.270 nan 0.000 0.460 834 L N 5.419 126.594 121.223 -0.079 0.000 2.360 834 L HA 0.443 4.779 4.340 -0.006 0.000 0.271 834 L C -1.857 174.959 176.870 -0.090 0.000 1.057 834 L CA -1.988 52.777 54.840 -0.124 0.000 0.803 834 L CB 1.084 43.050 42.059 -0.154 0.000 1.207 834 L HN 0.675 nan 8.230 nan 0.000 0.445 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.066 63.100 -0.057 0.000 0.800 835 P CB 0.000 31.668 31.700 -0.053 0.000 0.726