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 1e1y_1_A DATA FIRST_RESID 5 DATA SEQUENCE SDQEKRKQIS VRGLAGVENV TELKKNFNRH LHFTLVKDRN VATPRDYYFA DATA SEQUENCE LAHTVRDHLV GRWIRTQQHY YEKDPKRIYY LSLEFYMGRT LQNTMVNLAL DATA SEQUENCE ENACDEATYQ LGLDMEELEE IEEDAGLGNG GLGRLAACFL DSMATLGLAA DATA SEQUENCE YGYGIRYEFG IFNQKICGGW QMEEADDWLR YGNPWEKARP EFTLPVHFYG DATA SEQUENCE RVEHTSQGAK WVDTQVVLAM PYDTPVPGYR NNVVNTMRLW SAKAPNXXXX DATA SEQUENCE XXXXXXGYIQ AVLDRNLAEN ISRVLYPNDN FFEGKELRLK QEYFVVAATL DATA SEQUENCE QDIIRRFKSX XXXXXXXXXX NFDAFPDKVA IQLNDTHPSL AIPELMRVLV DATA SEQUENCE DLERLDWDKA WEVTVKTCAY TNHTVLPEAL ERWPVHLLET LLPRHLQIIY DATA SEQUENCE EINQRFLNRV AAAFPGDVDR LRRMSLVEEG AVKRINMAHL CIAGSHAVNG DATA SEQUENCE VARIHSEILK KTIFKDFYEL EPHKFQNKTN GITPRRWLVL CNPGLAEIIA DATA SEQUENCE ERIGEEYISD LDQLRKLLSY VDDEAFIRDV AKVKQENKLK FAAYLEREYK DATA SEQUENCE VHINPNSLFD VQVKRIHEYK RQLLNCLHVI TLYNRIKKEP NKFVVPRTVM DATA SEQUENCE IGGKAAPGYH MAKMIIKLIT AIGDVVNHDP VVGDRLRVIF LENYRVSLAE DATA SEQUENCE KVIPAADLSE QISTAGTEAS GTGNMKFMLN GALTIGTMDG ANVEMAEEAG DATA SEQUENCE EENFFIFGMR VEDVDRLDQR GYNAQEYYDR IPELRQIIEQ LSSGFFSPKQ DATA SEQUENCE PDLFKDIVNM LMHHDRFKVF ADYEEYVKCQ ERVSALYKNP REWTRMVIRN DATA SEQUENCE IATSGKFSSD RTIAQYAREI WGVEPSRQRL PAPD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.596 174.600 -0.006 0.000 1.055 5 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 5 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 6 D N 0.419 120.815 120.400 -0.007 0.000 4.056 6 D HA -0.253 4.374 4.640 -0.022 0.000 0.169 6 D C 1.279 177.574 176.300 -0.008 0.000 0.744 6 D CA 2.213 56.208 54.000 -0.008 0.000 1.006 6 D CB -0.765 40.031 40.800 -0.007 0.000 0.448 6 D HN 0.419 nan 8.370 nan 0.000 0.412 7 Q N -0.303 119.493 119.800 -0.008 0.000 2.217 7 Q HA -0.171 4.156 4.340 -0.022 0.000 0.209 7 Q C 1.896 177.891 176.000 -0.008 0.000 0.988 7 Q CA 1.563 57.361 55.803 -0.008 0.000 0.878 7 Q CB -0.324 28.410 28.738 -0.007 0.000 0.909 7 Q HN 0.526 nan 8.270 nan 0.000 0.424 8 E N 0.710 120.906 120.200 -0.006 0.000 2.204 8 E HA -0.102 4.235 4.350 -0.022 0.000 0.194 8 E C 1.692 178.288 176.600 -0.008 0.000 0.989 8 E CA 0.674 57.071 56.400 -0.006 0.000 0.824 8 E CB 0.040 29.737 29.700 -0.005 0.000 0.756 8 E HN 0.402 nan 8.360 nan 0.000 0.477 9 K N 0.287 120.681 120.400 -0.009 0.000 2.217 9 K HA -0.002 4.305 4.320 -0.022 0.000 0.202 9 K C 1.813 178.406 176.600 -0.012 0.000 1.051 9 K CA 0.532 56.813 56.287 -0.011 0.000 0.952 9 K CB 0.068 32.562 32.500 -0.011 0.000 0.736 9 K HN -0.006 nan 8.250 nan 0.000 0.453 10 R N 1.035 121.527 120.500 -0.013 0.000 2.357 10 R HA -0.043 4.284 4.340 -0.022 0.000 0.202 10 R C 1.305 177.596 176.300 -0.015 0.000 1.047 10 R CA 0.604 56.695 56.100 -0.016 0.000 1.034 10 R CB -0.130 30.160 30.300 -0.017 0.000 0.875 10 R HN 0.196 nan 8.270 nan 0.000 0.473 11 K N 0.986 121.379 120.400 -0.012 0.000 2.439 11 K HA -0.090 4.217 4.320 -0.022 0.000 0.197 11 K C 1.679 178.272 176.600 -0.011 0.000 1.041 11 K CA 0.703 56.984 56.287 -0.010 0.000 0.970 11 K CB 0.127 32.623 32.500 -0.007 0.000 0.773 11 K HN 0.297 nan 8.250 nan 0.000 0.479 12 Q N 0.341 120.133 119.800 -0.013 0.000 2.297 12 Q HA 0.027 4.354 4.340 -0.022 0.000 0.204 12 Q C 0.266 176.256 176.000 -0.018 0.000 0.962 12 Q CA 0.489 56.283 55.803 -0.015 0.000 0.879 12 Q CB 0.147 28.876 28.738 -0.016 0.000 0.947 12 Q HN 0.293 nan 8.270 nan 0.000 0.462 13 I N 1.362 121.921 120.570 -0.019 0.000 2.389 13 I HA 0.049 4.206 4.170 -0.022 0.000 0.295 13 I C -0.011 176.094 176.117 -0.020 0.000 1.117 13 I CA -0.108 61.179 61.300 -0.022 0.000 1.317 13 I CB 0.360 38.345 38.000 -0.025 0.000 1.431 13 I HN -0.092 nan 8.210 nan 0.000 0.521 14 S N 4.180 119.869 115.700 -0.019 0.000 2.579 14 S HA 0.291 4.748 4.470 -0.022 0.000 0.272 14 S C 0.395 174.986 174.600 -0.016 0.000 1.141 14 S CA -0.688 57.503 58.200 -0.016 0.000 0.843 14 S CB 2.049 65.242 63.200 -0.012 0.000 1.122 14 S HN 0.425 nan 8.310 nan 0.000 0.468 15 V N 4.966 124.872 119.914 -0.012 0.000 3.217 15 V HA 0.057 4.164 4.120 -0.022 0.000 0.264 15 V C 1.959 178.048 176.094 -0.009 0.000 1.135 15 V CA 1.916 64.210 62.300 -0.010 0.000 1.142 15 V CB -1.359 30.461 31.823 -0.003 0.000 0.754 15 V HN 0.993 nan 8.190 nan 0.000 0.484 16 R N 1.895 122.390 120.500 -0.008 0.000 2.327 16 R HA -0.220 4.107 4.340 -0.022 0.000 0.206 16 R C 1.195 177.491 176.300 -0.006 0.000 1.056 16 R CA 2.208 58.304 56.100 -0.006 0.000 0.564 16 R CB -2.200 28.095 30.300 -0.008 0.000 0.839 16 R HN 0.730 nan 8.270 nan 0.000 0.299 17 G N 1.317 110.111 108.800 -0.011 0.000 2.415 17 G HA2 0.589 4.536 3.960 -0.022 0.000 0.327 17 G HA3 0.589 4.536 3.960 -0.022 0.000 0.327 17 G C -0.623 174.265 174.900 -0.020 0.000 1.182 17 G CA -0.591 44.502 45.100 -0.011 0.000 0.924 17 G HN 0.367 nan 8.290 nan 0.000 0.470 18 L N 1.283 122.491 121.223 -0.025 0.000 2.343 18 L HA 0.858 5.185 4.340 -0.022 0.000 0.264 18 L C 1.443 178.269 176.870 -0.073 0.000 1.050 18 L CA -0.405 54.403 54.840 -0.054 0.000 0.956 18 L CB 0.636 42.655 42.059 -0.067 0.000 1.576 18 L HN 0.659 nan 8.230 nan 0.000 0.521 19 A N -0.347 122.386 122.820 -0.144 0.000 2.285 19 A HA 0.408 4.715 4.320 -0.022 0.000 0.214 19 A C 1.024 178.580 177.584 -0.046 0.000 1.188 19 A CA 1.137 53.093 52.037 -0.134 0.000 0.707 19 A CB -1.697 17.173 19.000 -0.216 0.000 0.771 19 A HN 1.874 nan 8.150 nan 0.000 0.488 20 G N -3.132 105.670 108.800 0.004 0.000 2.312 20 G HA2 0.267 4.214 3.960 -0.022 0.000 0.347 20 G HA3 0.267 4.214 3.960 -0.022 0.000 0.347 20 G C 0.227 175.236 174.900 0.182 0.000 1.564 20 G CA -0.003 45.169 45.100 0.121 0.000 0.981 20 G HN 1.255 nan 8.290 nan 0.000 0.678 21 V N -1.868 118.116 119.914 0.115 0.000 3.383 21 V HA 0.259 4.366 4.120 -0.022 0.000 0.272 21 V C 0.975 177.118 176.094 0.082 0.000 1.181 21 V CA 1.825 64.176 62.300 0.085 0.000 1.171 21 V CB -1.122 30.729 31.823 0.047 0.000 0.800 21 V HN 1.223 nan 8.190 nan 0.000 0.515 22 E N -0.179 120.095 120.200 0.122 0.000 2.414 22 E HA -0.165 4.172 4.350 -0.022 0.000 0.284 22 E C -0.295 176.294 176.600 -0.018 0.000 1.039 22 E CA 0.650 57.043 56.400 -0.011 0.000 0.825 22 E CB -2.158 27.505 29.700 -0.061 0.000 1.340 22 E HN 0.942 nan 8.360 nan 0.000 0.400 23 N N -1.222 117.495 118.700 0.028 0.000 2.331 23 N HA 0.285 5.012 4.740 -0.022 0.000 0.280 23 N C 1.291 176.824 175.510 0.039 0.000 1.155 23 N CA -0.362 52.700 53.050 0.021 0.000 0.822 23 N CB 2.217 40.716 38.487 0.020 0.000 1.619 23 N HN -0.113 nan 8.380 nan 0.000 0.476 24 V N 0.831 120.761 119.914 0.027 0.000 2.258 24 V HA -0.428 3.679 4.120 -0.022 0.000 0.259 24 V C 2.020 178.140 176.094 0.044 0.000 1.076 24 V CA 2.509 64.828 62.300 0.032 0.000 1.084 24 V CB -1.141 30.697 31.823 0.025 0.000 0.706 24 V HN 0.827 nan 8.190 nan 0.000 0.461 25 T N -0.937 113.642 114.554 0.042 0.000 2.665 25 T HA -0.206 4.131 4.350 -0.022 0.000 0.268 25 T C 1.861 176.600 174.700 0.064 0.000 1.035 25 T CA 1.775 63.902 62.100 0.046 0.000 1.151 25 T CB -0.321 68.570 68.868 0.037 0.000 0.862 25 T HN 0.527 nan 8.240 nan 0.000 0.438 26 E N 0.602 120.847 120.200 0.074 0.000 2.107 26 E HA 0.025 4.362 4.350 -0.022 0.000 0.191 26 E C 2.220 178.901 176.600 0.135 0.000 0.982 26 E CA 0.395 56.852 56.400 0.094 0.000 0.809 26 E CB -0.460 29.299 29.700 0.098 0.000 0.756 26 E HN 0.258 nan 8.360 nan 0.000 0.459 27 L N 1.413 122.723 121.223 0.145 0.000 2.046 27 L HA -0.157 4.170 4.340 -0.022 0.000 0.208 27 L C 2.047 179.034 176.870 0.194 0.000 1.077 27 L CA 1.719 56.669 54.840 0.183 0.000 0.747 27 L CB -0.641 41.492 42.059 0.123 0.000 0.896 27 L HN 0.038 nan 8.230 nan 0.000 0.432 28 K N -0.920 119.560 120.400 0.133 0.000 2.097 28 K HA -0.212 4.095 4.320 -0.022 0.000 0.205 28 K C 2.137 178.858 176.600 0.201 0.000 1.050 28 K CA 1.215 57.583 56.287 0.136 0.000 0.938 28 K CB -0.040 32.498 32.500 0.063 0.000 0.718 28 K HN 0.057 nan 8.250 nan 0.000 0.442 29 K N 1.046 121.537 120.400 0.153 0.000 2.026 29 K HA -0.076 4.231 4.320 -0.022 0.000 0.208 29 K C 1.717 178.410 176.600 0.155 0.000 1.048 29 K CA 1.372 57.740 56.287 0.135 0.000 0.929 29 K CB 0.062 32.613 32.500 0.084 0.000 0.713 29 K HN 0.133 nan 8.250 nan 0.000 0.439 30 N N -0.510 118.295 118.700 0.175 0.000 2.270 30 N HA -0.142 4.585 4.740 -0.022 0.000 0.181 30 N C 1.682 177.362 175.510 0.283 0.000 1.016 30 N CA 0.959 54.113 53.050 0.173 0.000 0.870 30 N CB -0.141 38.473 38.487 0.212 0.000 0.979 30 N HN 0.138 nan 8.380 nan 0.000 0.431 31 F N 2.634 122.699 119.950 0.193 0.000 2.095 31 F HA -0.195 4.319 4.527 -0.021 0.000 0.298 31 F C 2.250 178.162 175.800 0.188 0.000 1.104 31 F CA 1.428 59.546 58.000 0.196 0.000 1.232 31 F CB -0.353 38.726 39.000 0.131 0.000 0.987 31 F HN -0.041 nan 8.300 nan 0.000 0.475 32 N N 0.538 119.444 118.700 0.344 0.000 2.084 32 N HA -0.242 4.485 4.740 -0.022 0.000 0.190 32 N C 2.090 177.765 175.510 0.275 0.000 1.030 32 N CA 1.762 54.990 53.050 0.297 0.000 0.849 32 N CB -0.404 38.275 38.487 0.320 0.000 1.012 32 N HN 0.399 nan 8.380 nan 0.000 0.423 33 R N -0.667 119.959 120.500 0.209 0.000 2.080 33 R HA -0.165 4.162 4.340 -0.022 0.000 0.236 33 R C 1.973 178.366 176.300 0.155 0.000 1.137 33 R CA 1.566 57.792 56.100 0.210 0.000 0.943 33 R CB -0.527 29.744 30.300 -0.047 0.000 0.846 33 R HN 0.431 nan 8.270 nan 0.000 0.431 34 H N 0.255 119.344 119.070 0.032 0.000 2.387 34 H HA -0.133 4.410 4.556 -0.022 0.000 0.299 34 H C 2.100 177.315 175.328 -0.189 0.000 1.090 34 H CA 1.644 57.635 56.048 -0.095 0.000 1.332 34 H CB -0.155 29.526 29.762 -0.135 0.000 1.386 34 H HN 0.235 nan 8.280 nan 0.000 0.516 35 L N 0.523 121.641 121.223 -0.175 0.000 2.083 35 L HA -0.185 4.142 4.340 -0.022 0.000 0.209 35 L C 2.267 178.913 176.870 -0.374 0.000 1.083 35 L CA 1.678 56.306 54.840 -0.352 0.000 0.752 35 L CB -0.305 41.461 42.059 -0.489 0.000 0.899 35 L HN 0.286 nan 8.230 nan 0.000 0.433 36 H N -2.088 116.909 119.070 -0.122 0.000 2.361 36 H HA 0.080 4.623 4.556 -0.022 0.000 0.308 36 H C 1.960 177.030 175.328 -0.431 0.000 1.053 36 H CA 1.549 57.415 56.048 -0.304 0.000 1.377 36 H CB -0.316 29.183 29.762 -0.438 0.000 1.434 36 H HN 0.323 nan 8.280 nan 0.000 0.548 37 F N 0.760 120.728 119.950 0.030 0.000 2.710 37 F HA 0.012 4.526 4.527 -0.022 0.000 0.298 37 F C 2.083 177.827 175.800 -0.093 0.000 1.137 37 F CA 0.713 58.687 58.000 -0.043 0.000 1.444 37 F CB 0.208 39.167 39.000 -0.069 0.000 1.111 37 F HN 0.043 nan 8.300 nan 0.000 0.580 38 T N -0.737 113.819 114.554 0.004 0.000 3.056 38 T HA 0.178 4.515 4.350 -0.022 0.000 0.241 38 T C 1.759 176.354 174.700 -0.174 0.000 1.006 38 T CA 0.482 62.515 62.100 -0.110 0.000 1.115 38 T CB -0.013 68.746 68.868 -0.180 0.000 0.939 38 T HN 0.088 nan 8.240 nan 0.000 0.462 39 L N 1.250 122.371 121.223 -0.170 0.000 2.554 39 L HA 0.267 4.594 4.340 -0.022 0.000 0.225 39 L C 0.324 177.104 176.870 -0.150 0.000 1.104 39 L CA -0.119 54.616 54.840 -0.175 0.000 0.866 39 L CB -0.005 41.950 42.059 -0.173 0.000 1.047 39 L HN -0.050 nan 8.230 nan 0.000 0.468 40 V N 0.787 120.612 119.914 -0.148 0.000 5.949 40 V HA -0.276 3.831 4.120 -0.022 0.000 0.287 40 V C 0.032 176.049 176.094 -0.128 0.000 0.603 40 V CA 1.169 63.385 62.300 -0.140 0.000 0.608 40 V CB -2.128 29.630 31.823 -0.109 0.000 0.259 40 V HN 0.438 nan 8.190 nan 0.000 0.742 41 K N 0.968 121.275 120.400 -0.154 0.000 2.399 41 K HA 0.835 5.142 4.320 -0.022 0.000 0.260 41 K C -0.554 175.967 176.600 -0.132 0.000 1.049 41 K CA -0.373 55.824 56.287 -0.150 0.000 0.890 41 K CB 2.611 34.989 32.500 -0.202 0.000 1.430 41 K HN 0.508 nan 8.250 nan 0.000 0.459 42 D N -1.988 118.356 120.400 -0.094 0.000 2.579 42 D HA 0.170 4.797 4.640 -0.022 0.000 0.257 42 D C 0.413 176.712 176.300 -0.001 0.000 1.176 42 D CA -0.794 53.219 54.000 0.022 0.000 0.914 42 D CB 0.785 41.657 40.800 0.119 0.000 1.431 42 D HN 0.476 nan 8.370 nan 0.000 0.454 43 R N 0.029 120.596 120.500 0.113 0.000 2.341 43 R HA -0.001 4.326 4.340 -0.022 0.000 0.213 43 R C 0.078 176.443 176.300 0.109 0.000 1.082 43 R CA 0.781 56.976 56.100 0.158 0.000 1.017 43 R CB -0.544 29.882 30.300 0.211 0.000 0.860 43 R HN 0.244 nan 8.270 nan 0.000 0.473 44 N N 0.751 119.486 118.700 0.059 0.000 2.409 44 N HA -0.045 4.682 4.740 -0.022 0.000 0.174 44 N C 1.593 177.109 175.510 0.011 0.000 1.037 44 N CA 1.388 54.462 53.050 0.040 0.000 0.898 44 N CB 0.759 39.265 38.487 0.032 0.000 1.010 44 N HN 0.341 nan 8.380 nan 0.000 0.445 45 V N -2.470 117.431 119.914 -0.022 0.000 3.645 45 V HA 0.509 4.616 4.120 -0.022 0.000 0.275 45 V C 0.889 176.923 176.094 -0.100 0.000 1.356 45 V CA -0.487 61.786 62.300 -0.044 0.000 1.051 45 V CB -0.399 31.399 31.823 -0.042 0.000 0.828 45 V HN 0.035 nan 8.190 nan 0.000 0.441 46 A N 2.506 125.220 122.820 -0.177 0.000 2.546 46 A HA 0.508 4.815 4.320 -0.022 0.000 0.243 46 A C 0.774 178.139 177.584 -0.365 0.000 1.063 46 A CA 0.944 52.736 52.037 -0.408 0.000 0.757 46 A CB -0.389 18.136 19.000 -0.792 0.000 0.991 46 A HN 0.869 nan 8.150 nan 0.000 0.503 47 T N 0.426 114.800 114.554 -0.300 0.000 2.948 47 T HA 0.600 4.937 4.350 -0.022 0.000 0.285 47 T C -2.079 172.580 174.700 -0.069 0.000 1.019 47 T CA -1.792 60.237 62.100 -0.118 0.000 1.013 47 T CB 1.296 70.133 68.868 -0.052 0.000 1.117 47 T HN 0.240 nan 8.240 nan 0.000 0.533 48 P HA -0.097 nan 4.420 nan 0.000 0.216 48 P C 1.635 179.035 177.300 0.166 0.000 1.150 48 P CA 0.951 64.178 63.100 0.212 0.000 0.843 48 P CB 0.043 31.824 31.700 0.136 0.000 0.787 49 R N -0.018 120.518 120.500 0.061 0.000 2.081 49 R HA -0.157 4.170 4.340 -0.022 0.000 0.235 49 R C 1.609 178.015 176.300 0.177 0.000 1.131 49 R CA 1.842 57.977 56.100 0.058 0.000 0.960 49 R CB -0.658 29.613 30.300 -0.048 0.000 0.856 49 R HN 0.110 nan 8.270 nan 0.000 0.436 50 D N -0.469 119.976 120.400 0.075 0.000 2.144 50 D HA -0.179 4.448 4.640 -0.022 0.000 0.199 50 D C 1.700 178.030 176.300 0.050 0.000 0.984 50 D CA 1.218 55.238 54.000 0.032 0.000 0.834 50 D CB -0.289 40.380 40.800 -0.219 0.000 0.955 50 D HN 0.291 nan 8.370 nan 0.000 0.465 51 Y N -0.143 120.242 120.300 0.141 0.000 2.293 51 Y HA -0.167 4.370 4.550 -0.022 0.000 0.291 51 Y C 2.240 178.288 175.900 0.246 0.000 1.137 51 Y CA 0.171 58.408 58.100 0.228 0.000 1.202 51 Y CB -0.953 37.677 38.460 0.283 0.000 0.990 51 Y HN 0.103 nan 8.280 nan 0.000 0.537 52 Y N -0.811 119.613 120.300 0.207 0.000 2.163 52 Y HA -0.224 4.313 4.550 -0.022 0.000 0.288 52 Y C 1.886 177.788 175.900 0.003 0.000 1.136 52 Y CA 1.098 59.231 58.100 0.055 0.000 1.147 52 Y CB -1.083 37.288 38.460 -0.147 0.000 0.987 52 Y HN -0.017 nan 8.280 nan 0.000 0.509 53 F N 0.718 120.443 119.950 -0.374 0.000 2.134 53 F HA -0.127 4.387 4.527 -0.021 0.000 0.299 53 F C 2.690 178.306 175.800 -0.306 0.000 1.097 53 F CA 1.433 59.138 58.000 -0.493 0.000 1.264 53 F CB -1.224 37.679 39.000 -0.163 0.000 1.001 53 F HN 0.217 nan 8.300 nan 0.000 0.479 54 A N -0.372 122.422 122.820 -0.043 0.000 1.933 54 A HA -0.169 4.138 4.320 -0.022 0.000 0.218 54 A C 2.118 179.620 177.584 -0.137 0.000 1.175 54 A CA 1.663 53.542 52.037 -0.263 0.000 0.628 54 A CB -1.009 17.492 19.000 -0.833 0.000 0.814 54 A HN 0.355 nan 8.150 nan 0.000 0.444 55 L N -0.510 120.790 121.223 0.129 0.000 2.072 55 L HA 0.110 4.437 4.340 -0.022 0.000 0.205 55 L C 2.580 179.469 176.870 0.033 0.000 1.079 55 L CA 2.003 57.015 54.840 0.287 0.000 0.752 55 L CB -0.942 41.318 42.059 0.334 0.000 0.906 55 L HN 0.305 nan 8.230 nan 0.000 0.436 56 A N -1.128 121.551 122.820 -0.236 0.000 1.883 56 A HA -0.248 4.059 4.320 -0.022 0.000 0.217 56 A C 2.273 179.545 177.584 -0.520 0.000 1.186 56 A CA 1.790 53.590 52.037 -0.396 0.000 0.624 56 A CB -1.031 17.449 19.000 -0.866 0.000 0.822 56 A HN 0.660 nan 8.150 nan 0.000 0.444 57 H N -0.370 118.397 119.070 -0.506 0.000 2.353 57 H HA -0.083 4.460 4.556 -0.022 0.000 0.300 57 H C 2.348 177.325 175.328 -0.585 0.000 1.090 57 H CA 1.932 57.576 56.048 -0.673 0.000 1.327 57 H CB -0.527 28.641 29.762 -0.989 0.000 1.383 57 H HN 0.484 nan 8.280 nan 0.000 0.508 58 T N 0.515 114.938 114.554 -0.219 0.000 2.720 58 T HA -0.097 4.240 4.350 -0.022 0.000 0.268 58 T C 2.394 177.233 174.700 0.232 0.000 1.037 58 T CA 1.228 63.415 62.100 0.145 0.000 1.144 58 T CB -0.419 68.631 68.868 0.303 0.000 0.864 58 T HN 0.083 nan 8.240 nan 0.000 0.444 59 V N 1.339 121.369 119.914 0.194 0.000 2.453 59 V HA -0.086 4.021 4.120 -0.022 0.000 0.247 59 V C 2.615 178.884 176.094 0.292 0.000 1.048 59 V CA 1.437 63.903 62.300 0.276 0.000 1.049 59 V CB -0.582 31.400 31.823 0.266 0.000 0.672 59 V HN 0.367 nan 8.190 nan 0.000 0.457 60 R N 0.136 120.748 120.500 0.186 0.000 2.127 60 R HA -0.202 4.125 4.340 -0.022 0.000 0.238 60 R C 1.932 178.336 176.300 0.173 0.000 1.134 60 R CA 1.934 58.146 56.100 0.186 0.000 0.975 60 R CB -0.335 29.923 30.300 -0.069 0.000 0.865 60 R HN 0.493 nan 8.270 nan 0.000 0.447 61 D N -0.117 120.367 120.400 0.140 0.000 2.104 61 D HA -0.185 4.442 4.640 -0.022 0.000 0.194 61 D C 1.844 178.162 176.300 0.029 0.000 0.994 61 D CA 1.256 55.304 54.000 0.079 0.000 0.830 61 D CB -0.449 40.371 40.800 0.032 0.000 0.959 61 D HN 0.459 nan 8.370 nan 0.000 0.452 62 H N -0.201 118.936 119.070 0.113 0.000 2.387 62 H HA -0.077 4.466 4.556 -0.021 0.000 0.299 62 H C 2.216 177.592 175.328 0.080 0.000 1.090 62 H CA 0.521 56.619 56.048 0.084 0.000 1.332 62 H CB -0.117 29.687 29.762 0.069 0.000 1.386 62 H HN 0.110 nan 8.280 nan 0.000 0.516 63 L N 0.581 121.930 121.223 0.210 0.000 2.005 63 L HA -0.114 4.213 4.340 -0.022 0.000 0.207 63 L C 2.488 179.461 176.870 0.171 0.000 1.072 63 L CA 1.111 56.030 54.840 0.131 0.000 0.744 63 L CB -0.773 41.351 42.059 0.110 0.000 0.895 63 L HN -0.066 nan 8.230 nan 0.000 0.433 64 V N 0.214 120.270 119.914 0.237 0.000 2.332 64 V HA -0.253 3.854 4.120 -0.022 0.000 0.248 64 V C 2.633 178.872 176.094 0.241 0.000 1.055 64 V CA 1.817 64.327 62.300 0.351 0.000 1.038 64 V CB -1.662 30.334 31.823 0.289 0.000 0.651 64 V HN 0.652 nan 8.190 nan 0.000 0.450 65 G N -0.090 108.794 108.800 0.140 0.000 2.469 65 G HA2 -0.293 3.654 3.960 -0.022 0.000 0.219 65 G HA3 -0.293 3.654 3.960 -0.022 0.000 0.219 65 G C 1.749 176.706 174.900 0.095 0.000 1.150 65 G CA 1.068 46.220 45.100 0.085 0.000 0.763 65 G HN 0.487 nan 8.290 nan 0.000 0.561 66 R N -1.698 118.871 120.500 0.115 0.000 2.119 66 R HA 0.024 4.351 4.340 -0.022 0.000 0.222 66 R C 2.219 178.609 176.300 0.150 0.000 1.088 66 R CA 0.656 56.808 56.100 0.086 0.000 0.984 66 R CB -0.331 30.001 30.300 0.052 0.000 0.884 66 R HN 0.436 nan 8.270 nan 0.000 0.447 67 W N 1.782 123.071 121.300 -0.019 0.000 2.335 67 W HA -0.112 4.535 4.660 -0.021 0.000 0.311 67 W C 1.614 178.112 176.519 -0.034 0.000 1.213 67 W CA 1.074 58.404 57.345 -0.025 0.000 1.274 67 W CB -0.530 28.935 29.460 0.008 0.000 1.148 67 W HN -0.024 nan 8.180 nan 0.000 0.498 68 I N 0.296 120.944 120.570 0.130 0.000 2.252 68 I HA -0.304 3.853 4.170 -0.022 0.000 0.245 68 I C 2.590 178.702 176.117 -0.008 0.000 1.102 68 I CA 1.130 62.421 61.300 -0.014 0.000 1.385 68 I CB -0.555 37.438 38.000 -0.012 0.000 1.064 68 I HN -0.208 nan 8.210 nan 0.000 0.414 69 R N 0.316 120.824 120.500 0.013 0.000 2.115 69 R HA -0.070 4.257 4.340 -0.022 0.000 0.230 69 R C 2.261 178.536 176.300 -0.041 0.000 1.111 69 R CA 1.381 57.477 56.100 -0.008 0.000 0.976 69 R CB -1.197 29.095 30.300 -0.013 0.000 0.870 69 R HN 0.339 nan 8.270 nan 0.000 0.445 70 T N 1.628 116.136 114.554 -0.077 0.000 2.701 70 T HA -0.101 4.236 4.350 -0.022 0.000 0.263 70 T C 1.770 176.243 174.700 -0.379 0.000 1.040 70 T CA 1.010 62.960 62.100 -0.250 0.000 1.147 70 T CB -0.014 68.725 68.868 -0.214 0.000 0.865 70 T HN 0.153 nan 8.240 nan 0.000 0.426 71 Q N 1.227 120.929 119.800 -0.162 0.000 2.124 71 Q HA -0.055 4.272 4.340 -0.022 0.000 0.202 71 Q C 2.336 178.363 176.000 0.044 0.000 0.977 71 Q CA 1.310 57.090 55.803 -0.038 0.000 0.850 71 Q CB -0.443 28.288 28.738 -0.011 0.000 0.901 71 Q HN 0.635 nan 8.270 nan 0.000 0.429 72 Q N -0.485 119.329 119.800 0.022 0.000 2.084 72 Q HA -0.165 4.162 4.340 -0.022 0.000 0.202 72 Q C 2.134 178.220 176.000 0.145 0.000 0.978 72 Q CA 1.107 56.959 55.803 0.082 0.000 0.844 72 Q CB -0.221 28.546 28.738 0.048 0.000 0.898 72 Q HN 0.564 nan 8.270 nan 0.000 0.426 73 H N -0.620 118.434 119.070 -0.026 0.000 2.387 73 H HA -0.163 4.380 4.556 -0.022 0.000 0.299 73 H C 1.360 176.762 175.328 0.123 0.000 1.090 73 H CA 1.314 57.358 56.048 -0.007 0.000 1.332 73 H CB 0.244 29.937 29.762 -0.115 0.000 1.386 73 H HN 0.277 nan 8.280 nan 0.000 0.516 74 Y N -0.256 120.065 120.300 0.035 0.000 2.263 74 Y HA -0.192 4.345 4.550 -0.022 0.000 0.292 74 Y C 2.568 178.471 175.900 0.006 0.000 1.130 74 Y CA 0.790 58.878 58.100 -0.020 0.000 1.179 74 Y CB -1.330 37.189 38.460 0.099 0.000 0.998 74 Y HN 0.294 nan 8.280 nan 0.000 0.532 75 Y N 1.218 121.600 120.300 0.136 0.000 2.224 75 Y HA -0.189 4.348 4.550 -0.022 0.000 0.289 75 Y C 2.121 178.032 175.900 0.018 0.000 1.146 75 Y CA 1.711 59.852 58.100 0.068 0.000 1.182 75 Y CB -0.020 38.470 38.460 0.050 0.000 0.983 75 Y HN -0.015 nan 8.280 nan 0.000 0.524 76 E N 0.354 120.558 120.200 0.006 0.000 2.028 76 E HA -0.145 4.192 4.350 -0.022 0.000 0.190 76 E C 2.058 178.568 176.600 -0.150 0.000 0.984 76 E CA 1.101 57.450 56.400 -0.084 0.000 0.800 76 E CB -0.170 29.542 29.700 0.020 0.000 0.758 76 E HN 0.380 nan 8.360 nan 0.000 0.448 77 K N 0.616 120.916 120.400 -0.167 0.000 2.155 77 K HA -0.103 4.204 4.320 -0.022 0.000 0.203 77 K C 0.258 176.783 176.600 -0.126 0.000 1.052 77 K CA 0.641 56.831 56.287 -0.163 0.000 0.948 77 K CB -0.345 32.003 32.500 -0.254 0.000 0.728 77 K HN 0.058 nan 8.250 nan 0.000 0.448 78 D N 0.414 120.743 120.400 -0.119 0.000 2.705 78 D HA -0.099 4.528 4.640 -0.022 0.000 0.240 78 D C -2.355 173.896 176.300 -0.081 0.000 1.137 78 D CA 0.130 54.066 54.000 -0.108 0.000 0.677 78 D CB -0.322 40.386 40.800 -0.152 0.000 1.049 78 D HN 0.179 nan 8.370 nan 0.000 0.427 79 P HA 0.108 nan 4.420 nan 0.000 0.276 79 P C -0.069 177.175 177.300 -0.094 0.000 1.261 79 P CA -0.547 62.498 63.100 -0.092 0.000 0.800 79 P CB 0.630 32.252 31.700 -0.130 0.000 1.066 80 K N 1.540 121.894 120.400 -0.076 0.000 2.448 80 K HA 0.061 4.368 4.320 -0.022 0.000 0.278 80 K C -0.144 176.371 176.600 -0.142 0.000 1.009 80 K CA -0.014 56.227 56.287 -0.076 0.000 0.995 80 K CB 0.317 32.790 32.500 -0.044 0.000 0.917 80 K HN 0.320 nan 8.250 nan 0.000 0.481 81 R N 3.660 124.057 120.500 -0.172 0.000 2.474 81 R HA 0.410 4.737 4.340 -0.022 0.000 0.295 81 R C -0.598 175.403 176.300 -0.498 0.000 0.980 81 R CA -0.685 55.225 56.100 -0.318 0.000 0.934 81 R CB 1.112 31.225 30.300 -0.312 0.000 1.101 81 R HN 0.537 nan 8.270 nan 0.000 0.469 82 I N 2.932 123.159 120.570 -0.571 0.000 2.378 82 I HA 0.254 4.411 4.170 -0.022 0.000 0.291 82 I C -0.994 174.785 176.117 -0.564 0.000 0.992 82 I CA -0.562 60.364 61.300 -0.624 0.000 1.154 82 I CB 0.970 38.507 38.000 -0.772 0.000 1.315 82 I HN 0.427 nan 8.210 nan 0.000 0.448 83 Y N 5.785 126.060 120.300 -0.041 0.000 2.334 83 Y HA 0.327 4.864 4.550 -0.021 0.000 0.336 83 Y C -0.663 175.353 175.900 0.193 0.000 0.960 83 Y CA -0.747 57.463 58.100 0.184 0.000 1.164 83 Y CB 0.991 39.549 38.460 0.164 0.000 1.155 83 Y HN 0.404 nan 8.280 nan 0.000 0.478 84 Y N 4.611 125.108 120.300 0.328 0.000 2.595 84 Y HA 0.470 5.007 4.550 -0.021 0.000 0.336 84 Y C -1.151 175.025 175.900 0.461 0.000 0.996 84 Y CA -0.984 57.311 58.100 0.325 0.000 1.260 84 Y CB 0.216 38.862 38.460 0.311 0.000 1.108 84 Y HN 0.545 nan 8.280 nan 0.000 0.509 85 L N 4.779 126.111 121.223 0.183 0.000 2.313 85 L HA 0.376 4.703 4.340 -0.022 0.000 0.282 85 L C -0.004 176.929 176.870 0.105 0.000 1.092 85 L CA 0.374 55.359 54.840 0.243 0.000 0.831 85 L CB 1.001 43.149 42.059 0.148 0.000 1.159 85 L HN 0.562 nan 8.230 nan 0.000 0.442 86 S N 3.027 118.867 115.700 0.234 0.000 2.536 86 S HA 0.455 4.912 4.470 -0.022 0.000 0.271 86 S C 0.298 175.015 174.600 0.196 0.000 1.134 86 S CA -0.677 57.557 58.200 0.058 0.000 0.897 86 S CB 1.047 64.057 63.200 -0.317 0.000 1.094 86 S HN 0.495 nan 8.310 nan 0.000 0.473 87 L N 2.535 123.907 121.223 0.248 0.000 2.591 87 L HA 0.404 4.731 4.340 -0.022 0.000 0.228 87 L C 0.126 177.206 176.870 0.350 0.000 1.133 87 L CA 1.124 56.166 54.840 0.336 0.000 0.880 87 L CB -0.921 41.333 42.059 0.324 0.000 1.033 87 L HN 0.732 nan 8.230 nan 0.000 0.450 88 E N -1.088 119.203 120.200 0.152 0.000 2.331 88 E HA 0.381 4.718 4.350 -0.022 0.000 0.275 88 E C -1.564 174.937 176.600 -0.164 0.000 0.895 88 E CA -0.449 56.024 56.400 0.122 0.000 0.753 88 E CB 2.159 31.914 29.700 0.092 0.000 1.216 88 E HN -0.176 nan 8.360 nan 0.000 0.434 89 F N 1.995 122.052 119.950 0.179 0.000 3.034 89 F HA 0.162 4.675 4.527 -0.022 0.000 0.371 89 F C -1.020 174.857 175.800 0.128 0.000 1.233 89 F CA -0.688 57.402 58.000 0.150 0.000 1.134 89 F CB 0.921 40.001 39.000 0.133 0.000 1.495 89 F HN 0.475 nan 8.300 nan 0.000 0.563 90 Y N 5.110 125.484 120.300 0.122 0.000 2.632 90 Y HA 0.213 4.750 4.550 -0.021 0.000 0.336 90 Y C 1.061 176.982 175.900 0.035 0.000 1.237 90 Y CA -0.957 57.167 58.100 0.040 0.000 1.595 90 Y CB 0.343 38.809 38.460 0.010 0.000 1.508 90 Y HN 0.520 nan 8.280 nan 0.000 0.480 91 M N 1.693 121.453 119.600 0.268 0.000 2.254 91 M HA 0.091 4.558 4.480 -0.022 0.000 0.265 91 M C 1.550 177.857 176.300 0.011 0.000 1.066 91 M CA 1.154 56.515 55.300 0.102 0.000 1.123 91 M CB -1.325 31.301 32.600 0.044 0.000 1.388 91 M HN 0.701 nan 8.290 nan 0.000 0.425 92 G N 0.963 109.800 108.800 0.061 0.000 2.598 92 G HA2 -0.264 3.683 3.960 -0.022 0.000 0.244 92 G HA3 -0.264 3.683 3.960 -0.022 0.000 0.244 92 G C -0.287 174.580 174.900 -0.054 0.000 1.302 92 G CA -0.375 44.707 45.100 -0.031 0.000 0.903 92 G HN 0.430 nan 8.290 nan 0.000 0.575 93 R N -0.626 119.811 120.500 -0.105 0.000 2.582 93 R HA 0.540 4.867 4.340 -0.022 0.000 0.271 93 R C 1.136 177.313 176.300 -0.205 0.000 1.078 93 R CA 0.481 56.520 56.100 -0.102 0.000 1.127 93 R CB 0.634 30.874 30.300 -0.100 0.000 1.038 93 R HN 0.566 nan 8.270 nan 0.000 0.500 94 T N 1.421 115.806 114.554 -0.282 0.000 2.999 94 T HA -0.016 4.321 4.350 -0.022 0.000 0.247 94 T C 1.465 175.791 174.700 -0.624 0.000 1.012 94 T CA -0.208 61.522 62.100 -0.617 0.000 1.048 94 T CB 0.082 68.184 68.868 -1.276 0.000 1.020 94 T HN 0.336 nan 8.240 nan 0.000 0.478 95 L N 2.005 123.079 121.223 -0.249 0.000 1.956 95 L HA -0.120 4.207 4.340 -0.022 0.000 0.216 95 L C 2.466 179.305 176.870 -0.051 0.000 1.073 95 L CA 2.038 56.893 54.840 0.025 0.000 0.762 95 L CB -0.699 41.586 42.059 0.377 0.000 0.889 95 L HN 0.174 nan 8.230 nan 0.000 0.433 96 Q N -0.875 118.895 119.800 -0.050 0.000 2.084 96 Q HA -0.272 4.055 4.340 -0.022 0.000 0.202 96 Q C 2.157 178.091 176.000 -0.111 0.000 0.978 96 Q CA 1.987 57.753 55.803 -0.063 0.000 0.844 96 Q CB -0.211 28.486 28.738 -0.069 0.000 0.898 96 Q HN 0.679 nan 8.270 nan 0.000 0.426 97 N N -0.529 118.066 118.700 -0.176 0.000 2.036 97 N HA -0.156 4.571 4.740 -0.022 0.000 0.195 97 N C 1.560 176.973 175.510 -0.162 0.000 1.037 97 N CA 2.450 55.387 53.050 -0.187 0.000 0.855 97 N CB -0.342 37.996 38.487 -0.248 0.000 1.033 97 N HN 0.141 nan 8.380 nan 0.000 0.423 98 T N 0.539 114.960 114.554 -0.222 0.000 2.684 98 T HA -0.127 4.210 4.350 -0.022 0.000 0.267 98 T C 1.963 176.611 174.700 -0.086 0.000 1.036 98 T CA 1.457 63.450 62.100 -0.179 0.000 1.148 98 T CB -0.240 68.483 68.868 -0.241 0.000 0.863 98 T HN 0.261 nan 8.240 nan 0.000 0.436 99 M N 0.468 120.033 119.600 -0.058 0.000 2.108 99 M HA -0.113 4.354 4.480 -0.022 0.000 0.261 99 M C 2.458 178.735 176.300 -0.039 0.000 1.066 99 M CA 1.345 56.626 55.300 -0.032 0.000 1.107 99 M CB -0.638 31.957 32.600 -0.007 0.000 1.356 99 M HN 0.126 nan 8.290 nan 0.000 0.406 100 V N 0.770 120.666 119.914 -0.030 0.000 2.237 100 V HA -0.280 3.827 4.120 -0.022 0.000 0.245 100 V C 2.006 178.124 176.094 0.041 0.000 1.046 100 V CA 1.823 64.132 62.300 0.015 0.000 1.007 100 V CB -0.867 30.968 31.823 0.020 0.000 0.638 100 V HN 0.494 nan 8.190 nan 0.000 0.445 101 N N -0.164 118.559 118.700 0.039 0.000 2.348 101 N HA -0.131 4.596 4.740 -0.022 0.000 0.185 101 N C 1.308 176.729 175.510 -0.150 0.000 1.019 101 N CA 1.188 54.248 53.050 0.018 0.000 0.880 101 N CB -0.058 38.441 38.487 0.020 0.000 0.965 101 N HN 0.287 nan 8.380 nan 0.000 0.437 102 L N 0.082 121.237 121.223 -0.112 0.000 2.640 102 L HA 0.298 4.625 4.340 -0.022 0.000 0.230 102 L C 0.804 177.594 176.870 -0.133 0.000 1.123 102 L CA 0.065 54.834 54.840 -0.120 0.000 0.900 102 L CB -0.364 41.651 42.059 -0.074 0.000 1.146 102 L HN 0.081 nan 8.230 nan 0.000 0.484 103 A N -0.599 122.146 122.820 -0.125 0.000 2.869 103 A HA -0.229 4.078 4.320 -0.022 0.000 0.280 103 A C 1.236 178.764 177.584 -0.093 0.000 1.458 103 A CA 1.127 53.100 52.037 -0.105 0.000 0.776 103 A CB -2.052 16.870 19.000 -0.129 0.000 1.028 103 A HN 0.328 nan 8.150 nan 0.000 0.547 104 L N -1.425 119.744 121.223 -0.089 0.000 2.590 104 L HA 0.097 4.424 4.340 -0.022 0.000 0.227 104 L C 2.056 178.892 176.870 -0.056 0.000 1.099 104 L CA 0.833 55.613 54.840 -0.100 0.000 0.872 104 L CB -0.057 41.926 42.059 -0.126 0.000 1.088 104 L HN 0.685 nan 8.230 nan 0.000 0.479 105 E N 1.170 121.347 120.200 -0.038 0.000 2.068 105 E HA -0.310 4.027 4.350 -0.022 0.000 0.207 105 E C 1.677 178.266 176.600 -0.019 0.000 1.032 105 E CA 2.268 58.656 56.400 -0.020 0.000 0.839 105 E CB -0.007 29.684 29.700 -0.015 0.000 0.758 105 E HN 0.526 nan 8.360 nan 0.000 0.457 106 N N -0.599 118.086 118.700 -0.024 0.000 2.084 106 N HA -0.182 4.545 4.740 -0.022 0.000 0.190 106 N C 1.869 177.367 175.510 -0.021 0.000 1.030 106 N CA 0.810 53.846 53.050 -0.023 0.000 0.849 106 N CB -0.169 38.303 38.487 -0.024 0.000 1.012 106 N HN 0.195 nan 8.380 nan 0.000 0.423 107 A N 0.601 123.405 122.820 -0.026 0.000 1.902 107 A HA -0.137 4.170 4.320 -0.022 0.000 0.217 107 A C 2.454 180.031 177.584 -0.011 0.000 1.181 107 A CA 1.013 53.038 52.037 -0.020 0.000 0.623 107 A CB -0.842 18.138 19.000 -0.033 0.000 0.818 107 A HN 0.462 nan 8.150 nan 0.000 0.443 108 C N -0.829 118.463 119.300 -0.013 0.000 2.435 108 C HA -0.061 4.386 4.460 -0.022 0.000 0.279 108 C C 2.445 177.431 174.990 -0.007 0.000 1.321 108 C CA 1.133 60.150 59.018 -0.000 0.000 1.752 108 C CB -1.069 26.681 27.740 0.017 0.000 1.959 108 C HN 0.705 nan 8.230 nan 0.000 0.500 109 D N 0.722 121.120 120.400 -0.003 0.000 2.117 109 D HA -0.140 4.487 4.640 -0.022 0.000 0.197 109 D C 2.134 178.449 176.300 0.026 0.000 0.987 109 D CA 1.465 55.467 54.000 0.002 0.000 0.829 109 D CB -0.226 40.566 40.800 -0.013 0.000 0.961 109 D HN 0.455 nan 8.370 nan 0.000 0.460 110 E N 0.186 120.399 120.200 0.022 0.000 2.047 110 E HA -0.041 4.296 4.350 -0.022 0.000 0.191 110 E C 1.879 178.521 176.600 0.071 0.000 0.987 110 E CA 1.538 57.978 56.400 0.066 0.000 0.799 110 E CB -0.582 29.138 29.700 0.034 0.000 0.752 110 E HN 0.214 nan 8.360 nan 0.000 0.449 111 A N -0.005 122.819 122.820 0.007 0.000 1.865 111 A HA -0.235 4.072 4.320 -0.022 0.000 0.217 111 A C 2.500 180.001 177.584 -0.137 0.000 1.191 111 A CA 3.063 55.074 52.037 -0.043 0.000 0.623 111 A CB -1.568 17.410 19.000 -0.036 0.000 0.826 111 A HN 0.518 nan 8.150 nan 0.000 0.444 112 T N -2.891 111.559 114.554 -0.173 0.000 2.708 112 T HA -0.278 4.059 4.350 -0.022 0.000 0.266 112 T C 1.863 176.452 174.700 -0.184 0.000 1.037 112 T CA 1.658 63.582 62.100 -0.293 0.000 1.146 112 T CB -0.740 67.998 68.868 -0.218 0.000 0.865 112 T HN 0.486 nan 8.240 nan 0.000 0.435 113 Y N 2.394 122.604 120.300 -0.150 0.000 2.114 113 Y HA -0.195 4.342 4.550 -0.021 0.000 0.282 113 Y C 2.648 178.486 175.900 -0.103 0.000 1.165 113 Y CA 1.690 59.726 58.100 -0.108 0.000 1.148 113 Y CB -0.671 37.746 38.460 -0.071 0.000 0.972 113 Y HN 0.273 nan 8.280 nan 0.000 0.504 114 Q N -0.266 119.392 119.800 -0.237 0.000 2.226 114 Q HA -0.123 4.204 4.340 -0.022 0.000 0.204 114 Q C 1.843 177.683 176.000 -0.267 0.000 0.975 114 Q CA 1.424 57.064 55.803 -0.272 0.000 0.866 114 Q CB -0.148 28.540 28.738 -0.084 0.000 0.915 114 Q HN 0.518 nan 8.270 nan 0.000 0.440 115 L N -0.443 120.623 121.223 -0.262 0.000 2.612 115 L HA 0.150 4.477 4.340 -0.022 0.000 0.230 115 L C 0.764 177.475 176.870 -0.265 0.000 1.140 115 L CA 0.136 54.831 54.840 -0.241 0.000 0.896 115 L CB -0.131 41.738 42.059 -0.317 0.000 1.065 115 L HN 0.311 nan 8.230 nan 0.000 0.447 116 G N 0.994 109.607 108.800 -0.311 0.000 2.256 116 G HA2 -0.256 3.691 3.960 -0.022 0.000 0.272 116 G HA3 -0.256 3.691 3.960 -0.022 0.000 0.272 116 G C -0.330 174.428 174.900 -0.237 0.000 1.076 116 G CA 0.028 44.967 45.100 -0.268 0.000 0.882 116 G HN 0.272 nan 8.290 nan 0.000 0.497 117 L N -0.952 120.124 121.223 -0.244 0.000 2.359 117 L HA 0.705 5.032 4.340 -0.022 0.000 0.256 117 L C -0.733 176.090 176.870 -0.079 0.000 1.026 117 L CA -1.208 53.511 54.840 -0.201 0.000 0.828 117 L CB 2.166 44.022 42.059 -0.339 0.000 1.406 117 L HN 0.136 nan 8.230 nan 0.000 0.413 118 D N 0.835 121.218 120.400 -0.028 0.000 2.414 118 D HA 0.278 4.905 4.640 -0.022 0.000 0.232 118 D C 0.539 176.855 176.300 0.026 0.000 1.070 118 D CA -0.415 53.600 54.000 0.024 0.000 0.839 118 D CB 1.577 42.399 40.800 0.037 0.000 1.079 118 D HN 0.510 nan 8.370 nan 0.000 0.521 119 M N 2.780 122.395 119.600 0.026 0.000 2.149 119 M HA -0.121 4.346 4.480 -0.022 0.000 0.261 119 M C 1.557 177.888 176.300 0.051 0.000 1.064 119 M CA 1.572 56.896 55.300 0.040 0.000 1.102 119 M CB 0.138 32.756 32.600 0.030 0.000 1.369 119 M HN 0.532 nan 8.290 nan 0.000 0.408 120 E N -0.165 120.057 120.200 0.036 0.000 2.110 120 E HA -0.271 4.066 4.350 -0.022 0.000 0.193 120 E C 1.841 178.460 176.600 0.031 0.000 0.988 120 E CA 1.482 57.899 56.400 0.029 0.000 0.804 120 E CB -0.070 29.643 29.700 0.022 0.000 0.745 120 E HN 0.651 nan 8.360 nan 0.000 0.458 121 E N 0.453 120.677 120.200 0.039 0.000 2.072 121 E HA -0.193 4.144 4.350 -0.022 0.000 0.191 121 E C 2.181 178.807 176.600 0.043 0.000 0.985 121 E CA 0.714 57.138 56.400 0.039 0.000 0.801 121 E CB -0.009 29.720 29.700 0.048 0.000 0.750 121 E HN 0.257 nan 8.360 nan 0.000 0.452 122 L N 0.601 121.872 121.223 0.079 0.000 2.017 122 L HA -0.161 4.166 4.340 -0.022 0.000 0.208 122 L C 2.559 179.479 176.870 0.085 0.000 1.073 122 L CA 1.469 56.391 54.840 0.136 0.000 0.745 122 L CB -0.536 41.651 42.059 0.213 0.000 0.894 122 L HN 0.194 nan 8.230 nan 0.000 0.432 123 E N -0.109 120.137 120.200 0.076 0.000 2.160 123 E HA -0.214 4.123 4.350 -0.022 0.000 0.195 123 E C 1.798 178.341 176.600 -0.095 0.000 0.991 123 E CA 0.817 57.234 56.400 0.028 0.000 0.810 123 E CB 0.105 29.824 29.700 0.033 0.000 0.742 123 E HN 0.324 nan 8.360 nan 0.000 0.466 124 E N 0.149 120.304 120.200 -0.075 0.000 2.511 124 E HA -0.070 4.267 4.350 -0.022 0.000 0.196 124 E C 1.565 178.075 176.600 -0.151 0.000 1.066 124 E CA 0.187 56.537 56.400 -0.084 0.000 0.871 124 E CB 0.209 29.897 29.700 -0.021 0.000 0.863 124 E HN 0.309 nan 8.360 nan 0.000 0.520 125 I N 0.485 120.886 120.570 -0.281 0.000 2.617 125 I HA -0.061 4.096 4.170 -0.022 0.000 0.256 125 I C 1.141 176.948 176.117 -0.517 0.000 1.167 125 I CA 0.408 61.478 61.300 -0.383 0.000 1.469 125 I CB -0.354 37.361 38.000 -0.474 0.000 1.098 125 I HN 0.062 nan 8.210 nan 0.000 0.436 126 E N 2.724 122.522 120.200 -0.670 0.000 2.344 126 E HA 0.043 4.380 4.350 -0.022 0.000 0.270 126 E C 0.016 176.523 176.600 -0.154 0.000 1.021 126 E CA -0.120 55.993 56.400 -0.478 0.000 0.887 126 E CB 0.685 30.147 29.700 -0.396 0.000 0.997 126 E HN 0.387 nan 8.360 nan 0.000 0.429 127 E N 3.571 123.755 120.200 -0.026 0.000 2.259 127 E HA 0.284 4.621 4.350 -0.022 0.000 0.257 127 E C -0.652 176.009 176.600 0.102 0.000 0.998 127 E CA -1.017 55.416 56.400 0.055 0.000 0.866 127 E CB 0.847 30.615 29.700 0.113 0.000 1.220 127 E HN 0.269 nan 8.360 nan 0.000 0.415 128 D N 0.058 120.518 120.400 0.100 0.000 2.368 128 D HA 0.221 4.848 4.640 -0.022 0.000 0.240 128 D C -0.692 175.679 176.300 0.120 0.000 1.169 128 D CA 0.145 54.208 54.000 0.104 0.000 0.906 128 D CB 1.131 42.012 40.800 0.135 0.000 1.187 128 D HN 0.539 nan 8.370 nan 0.000 0.435 129 A N 1.051 123.902 122.820 0.053 0.000 2.690 129 A HA 0.504 4.811 4.320 -0.022 0.000 0.342 129 A C 0.735 178.178 177.584 -0.236 0.000 1.410 129 A CA -0.570 51.351 52.037 -0.194 0.000 0.958 129 A CB 0.097 19.030 19.000 -0.112 0.000 1.153 129 A HN 0.437 nan 8.150 nan 0.000 0.497 130 G N 1.844 110.428 108.800 -0.359 0.000 3.717 130 G HA2 0.412 4.359 3.960 -0.022 0.000 0.258 130 G HA3 0.412 4.359 3.960 -0.022 0.000 0.258 130 G C 0.275 174.780 174.900 -0.659 0.000 1.088 130 G CA -0.238 44.535 45.100 -0.544 0.000 1.737 130 G HN 0.679 nan 8.290 nan 0.000 0.648 131 L N 1.598 122.540 121.223 -0.468 0.000 2.919 131 L HA 0.376 4.703 4.340 -0.022 0.000 0.242 131 L C 1.020 177.811 176.870 -0.132 0.000 1.366 131 L CA -0.216 54.503 54.840 -0.202 0.000 1.212 131 L CB -0.434 41.628 42.059 0.006 0.000 1.604 131 L HN 0.336 nan 8.230 nan 0.000 0.433 132 G N -1.161 107.375 108.800 -0.440 0.000 2.660 132 G HA2 0.184 4.131 3.960 -0.022 0.000 0.290 132 G HA3 0.184 4.131 3.960 -0.022 0.000 0.290 132 G C -0.131 174.542 174.900 -0.378 0.000 1.432 132 G CA -0.465 44.462 45.100 -0.289 0.000 0.807 132 G HN -0.034 nan 8.290 nan 0.000 0.485 133 N N -0.820 117.827 118.700 -0.090 0.000 2.432 133 N HA 0.214 4.941 4.740 -0.022 0.000 0.174 133 N C 1.191 176.780 175.510 0.132 0.000 1.037 133 N CA 1.314 54.359 53.050 -0.009 0.000 0.892 133 N CB 1.311 39.847 38.487 0.080 0.000 1.049 133 N HN 0.875 nan 8.380 nan 0.000 0.442 134 G N -0.497 108.438 108.800 0.225 0.000 2.528 134 G HA2 0.057 4.004 3.960 -0.022 0.000 0.078 134 G HA3 0.057 4.004 3.960 -0.022 0.000 0.078 134 G C 0.794 175.797 174.900 0.172 0.000 1.008 134 G CA 0.218 45.472 45.100 0.258 0.000 1.309 134 G HN 0.177 nan 8.290 nan 0.000 0.564 135 G N 0.581 109.447 108.800 0.109 0.000 2.459 135 G HA2 -0.061 3.886 3.960 -0.022 0.000 0.217 135 G HA3 -0.061 3.886 3.960 -0.022 0.000 0.217 135 G C 1.920 176.819 174.900 -0.001 0.000 1.183 135 G CA 1.649 46.776 45.100 0.044 0.000 0.776 135 G HN 0.883 nan 8.290 nan 0.000 0.552 136 L N 0.664 121.873 121.223 -0.024 0.000 2.017 136 L HA 0.098 4.425 4.340 -0.022 0.000 0.208 136 L C 2.863 179.676 176.870 -0.095 0.000 1.073 136 L CA 2.054 56.802 54.840 -0.153 0.000 0.745 136 L CB -0.575 41.360 42.059 -0.206 0.000 0.894 136 L HN 0.235 nan 8.230 nan 0.000 0.432 137 G N -0.773 108.033 108.800 0.010 0.000 2.408 137 G HA2 -0.302 3.645 3.960 -0.022 0.000 0.217 137 G HA3 -0.302 3.645 3.960 -0.022 0.000 0.217 137 G C 1.647 176.606 174.900 0.097 0.000 1.150 137 G CA 0.694 45.824 45.100 0.050 0.000 0.776 137 G HN 0.294 nan 8.290 nan 0.000 0.542 138 R N -0.025 120.543 120.500 0.113 0.000 2.153 138 R HA 0.164 4.491 4.340 -0.022 0.000 0.218 138 R C 2.240 178.533 176.300 -0.012 0.000 1.072 138 R CA 0.636 56.782 56.100 0.077 0.000 0.990 138 R CB -0.725 29.586 30.300 0.018 0.000 0.889 138 R HN 0.347 nan 8.270 nan 0.000 0.452 139 L N 0.010 121.157 121.223 -0.127 0.000 2.056 139 L HA 0.083 4.410 4.340 -0.022 0.000 0.207 139 L C 2.032 178.576 176.870 -0.544 0.000 1.078 139 L CA 2.106 56.727 54.840 -0.364 0.000 0.749 139 L CB -0.828 40.983 42.059 -0.412 0.000 0.901 139 L HN 0.202 nan 8.230 nan 0.000 0.433 140 A N -0.344 122.284 122.820 -0.320 0.000 1.908 140 A HA -0.139 4.168 4.320 -0.022 0.000 0.218 140 A C 2.447 180.055 177.584 0.039 0.000 1.181 140 A CA 1.864 53.768 52.037 -0.222 0.000 0.627 140 A CB -1.195 17.662 19.000 -0.240 0.000 0.818 140 A HN 0.585 nan 8.150 nan 0.000 0.445 141 A N -1.380 121.513 122.820 0.120 0.000 1.930 141 A HA -0.146 4.161 4.320 -0.022 0.000 0.217 141 A C 2.280 179.939 177.584 0.124 0.000 1.175 141 A CA 1.620 53.765 52.037 0.180 0.000 0.627 141 A CB -1.151 17.947 19.000 0.165 0.000 0.815 141 A HN 0.583 nan 8.150 nan 0.000 0.443 142 C N -1.641 117.729 119.300 0.116 0.000 2.457 142 C HA 0.019 4.466 4.460 -0.022 0.000 0.278 142 C C 2.384 177.543 174.990 0.281 0.000 1.309 142 C CA 0.406 59.535 59.018 0.185 0.000 1.735 142 C CB -1.494 26.373 27.740 0.212 0.000 1.992 142 C HN 0.618 nan 8.230 nan 0.000 0.493 143 F N 0.423 120.359 119.950 -0.024 0.000 2.146 143 F HA -0.046 4.468 4.527 -0.022 0.000 0.298 143 F C 2.080 177.832 175.800 -0.082 0.000 1.096 143 F CA 1.037 58.976 58.000 -0.102 0.000 1.275 143 F CB -1.333 37.470 39.000 -0.329 0.000 1.008 143 F HN 0.091 nan 8.300 nan 0.000 0.480 144 L N 0.297 121.605 121.223 0.142 0.000 2.046 144 L HA -0.225 4.102 4.340 -0.022 0.000 0.208 144 L C 2.382 179.272 176.870 0.034 0.000 1.077 144 L CA 1.854 56.734 54.840 0.066 0.000 0.747 144 L CB -1.118 40.984 42.059 0.072 0.000 0.896 144 L HN 0.160 nan 8.230 nan 0.000 0.432 145 D N -1.414 119.014 120.400 0.047 0.000 2.144 145 D HA -0.160 4.467 4.640 -0.022 0.000 0.199 145 D C 1.930 178.253 176.300 0.037 0.000 0.984 145 D CA 1.408 55.419 54.000 0.020 0.000 0.834 145 D CB 0.458 41.267 40.800 0.014 0.000 0.955 145 D HN 0.302 nan 8.370 nan 0.000 0.465 146 S N -0.222 115.518 115.700 0.067 0.000 2.371 146 S HA -0.033 4.424 4.470 -0.022 0.000 0.224 146 S C 2.127 176.750 174.600 0.038 0.000 1.029 146 S CA 0.649 58.883 58.200 0.057 0.000 0.978 146 S CB -0.060 63.181 63.200 0.069 0.000 0.833 146 S HN 0.329 nan 8.310 nan 0.000 0.466 147 M N 0.994 120.611 119.600 0.028 0.000 2.213 147 M HA -0.094 4.373 4.480 -0.022 0.000 0.263 147 M C 2.379 178.694 176.300 0.025 0.000 1.062 147 M CA 1.342 56.657 55.300 0.026 0.000 1.105 147 M CB -0.501 32.096 32.600 -0.004 0.000 1.385 147 M HN 0.382 nan 8.290 nan 0.000 0.417 148 A N -0.252 122.577 122.820 0.016 0.000 1.897 148 A HA -0.102 4.205 4.320 -0.022 0.000 0.215 148 A C 2.173 179.779 177.584 0.036 0.000 1.181 148 A CA 1.895 53.944 52.037 0.019 0.000 0.620 148 A CB -0.956 18.037 19.000 -0.013 0.000 0.821 148 A HN 0.404 nan 8.150 nan 0.000 0.443 149 T N 0.274 114.853 114.554 0.042 0.000 2.951 149 T HA 0.053 4.390 4.350 -0.022 0.000 0.268 149 T C 1.320 176.054 174.700 0.057 0.000 1.073 149 T CA 0.857 62.993 62.100 0.060 0.000 1.134 149 T CB -0.226 68.687 68.868 0.075 0.000 0.884 149 T HN 0.322 nan 8.240 nan 0.000 0.479 150 L N 0.617 121.873 121.223 0.054 0.000 2.629 150 L HA 0.271 4.598 4.340 -0.022 0.000 0.230 150 L C 1.631 178.541 176.870 0.066 0.000 1.151 150 L CA -0.004 54.870 54.840 0.057 0.000 0.924 150 L CB -0.613 41.480 42.059 0.057 0.000 1.137 150 L HN 0.405 nan 8.230 nan 0.000 0.457 151 G N 1.327 110.171 108.800 0.074 0.000 2.273 151 G HA2 -0.287 3.660 3.960 -0.022 0.000 0.280 151 G HA3 -0.287 3.660 3.960 -0.022 0.000 0.280 151 G C 0.064 175.031 174.900 0.110 0.000 1.047 151 G CA 0.111 45.277 45.100 0.109 0.000 0.869 151 G HN 0.302 nan 8.290 nan 0.000 0.502 152 L N -0.336 120.924 121.223 0.061 0.000 2.325 152 L HA 0.648 4.975 4.340 -0.022 0.000 0.279 152 L C 1.137 177.924 176.870 -0.139 0.000 1.054 152 L CA -0.489 54.340 54.840 -0.018 0.000 0.804 152 L CB 1.783 43.844 42.059 0.004 0.000 1.200 152 L HN 0.235 nan 8.230 nan 0.000 0.436 153 A N 2.900 125.495 122.820 -0.375 0.000 3.037 153 A HA 0.568 4.875 4.320 -0.022 0.000 0.272 153 A C 0.361 177.677 177.584 -0.447 0.000 1.723 153 A CA -0.189 51.389 52.037 -0.765 0.000 1.413 153 A CB -0.657 17.703 19.000 -1.067 0.000 1.112 153 A HN 0.697 nan 8.150 nan 0.000 0.606 154 A N 1.068 123.669 122.820 -0.365 0.000 2.325 154 A HA 0.803 5.110 4.320 -0.022 0.000 0.333 154 A C -1.039 176.329 177.584 -0.360 0.000 1.155 154 A CA -0.405 51.463 52.037 -0.283 0.000 0.814 154 A CB 0.665 19.541 19.000 -0.206 0.000 1.206 154 A HN 0.563 nan 8.150 nan 0.000 0.482 155 Y N -0.083 120.156 120.300 -0.102 0.000 2.406 155 Y HA 0.557 5.094 4.550 -0.021 0.000 0.340 155 Y C 0.735 176.695 175.900 0.099 0.000 0.975 155 Y CA -0.713 57.380 58.100 -0.012 0.000 1.056 155 Y CB 2.256 40.758 38.460 0.071 0.000 1.210 155 Y HN 0.831 nan 8.280 nan 0.000 0.448 156 G N 1.943 110.803 108.800 0.100 0.000 2.332 156 G HA2 0.480 4.427 3.960 -0.022 0.000 0.310 156 G HA3 0.480 4.427 3.960 -0.022 0.000 0.310 156 G C -1.842 173.063 174.900 0.008 0.000 1.123 156 G CA -0.325 44.883 45.100 0.180 0.000 0.873 156 G HN 0.477 nan 8.290 nan 0.000 0.460 157 Y N 0.970 121.529 120.300 0.431 0.000 2.350 157 Y HA 0.652 5.189 4.550 -0.022 0.000 0.338 157 Y C 0.748 176.991 175.900 0.571 0.000 0.961 157 Y CA 0.189 58.506 58.100 0.361 0.000 1.100 157 Y CB 2.674 41.366 38.460 0.387 0.000 1.179 157 Y HN 0.877 nan 8.280 nan 0.000 0.454 158 G N 2.299 111.459 108.800 0.599 0.000 2.753 158 G HA2 0.575 4.522 3.960 -0.022 0.000 0.303 158 G HA3 0.575 4.522 3.960 -0.022 0.000 0.303 158 G C -1.719 173.432 174.900 0.418 0.000 1.242 158 G CA -0.801 44.665 45.100 0.610 0.000 0.810 158 G HN 0.424 nan 8.290 nan 0.000 0.515 159 I N 0.482 121.188 120.570 0.226 0.000 2.530 159 I HA 0.452 4.609 4.170 -0.022 0.000 0.297 159 I C 0.135 176.147 176.117 -0.175 0.000 1.011 159 I CA -0.771 60.546 61.300 0.028 0.000 1.107 159 I CB 2.289 40.131 38.000 -0.263 0.000 1.285 159 I HN 0.373 nan 8.210 nan 0.000 0.436 160 R N 5.817 126.309 120.500 -0.013 0.000 2.593 160 R HA 0.262 4.589 4.340 -0.022 0.000 0.282 160 R C -1.312 175.022 176.300 0.058 0.000 1.300 160 R CA -0.471 55.653 56.100 0.039 0.000 1.221 160 R CB 0.008 30.312 30.300 0.006 0.000 1.157 160 R HN 0.394 nan 8.270 nan 0.000 0.555 161 Y N 1.469 121.919 120.300 0.250 0.000 2.511 161 Y HA -0.058 4.479 4.550 -0.022 0.000 0.332 161 Y C 1.539 177.612 175.900 0.289 0.000 1.177 161 Y CA 0.074 58.310 58.100 0.228 0.000 1.422 161 Y CB 0.757 39.325 38.460 0.180 0.000 1.271 161 Y HN 0.562 nan 8.280 nan 0.000 0.550 162 E N 1.711 122.082 120.200 0.284 0.000 2.106 162 E HA -0.071 4.266 4.350 -0.022 0.000 0.192 162 E C -0.736 175.707 176.600 -0.262 0.000 0.984 162 E CA 0.819 57.163 56.400 -0.093 0.000 0.806 162 E CB 0.152 29.704 29.700 -0.246 0.000 0.750 162 E HN 0.445 nan 8.360 nan 0.000 0.458 163 F N -0.385 119.794 119.950 0.382 0.000 2.507 163 F HA 0.395 4.909 4.527 -0.022 0.000 0.328 163 F C 0.784 176.678 175.800 0.158 0.000 1.136 163 F CA -0.912 57.274 58.000 0.311 0.000 0.930 163 F CB 1.709 40.812 39.000 0.172 0.000 1.166 163 F HN -0.155 nan 8.300 nan 0.000 0.436 164 G N 1.811 110.703 108.800 0.153 0.000 2.546 164 G HA2 0.300 4.247 3.960 -0.022 0.000 0.239 164 G HA3 0.300 4.247 3.960 -0.022 0.000 0.239 164 G C -0.466 174.377 174.900 -0.095 0.000 1.476 164 G CA -0.653 44.371 45.100 -0.125 0.000 1.064 164 G HN 0.593 nan 8.290 nan 0.000 0.561 165 I N 1.053 121.482 120.570 -0.236 0.000 2.668 165 I HA 0.223 4.380 4.170 -0.022 0.000 0.285 165 I C 0.632 176.647 176.117 -0.170 0.000 1.168 165 I CA -1.018 60.142 61.300 -0.233 0.000 1.424 165 I CB -0.368 37.398 38.000 -0.390 0.000 1.377 165 I HN 0.353 nan 8.210 nan 0.000 0.560 166 F N 6.479 126.431 119.950 0.003 0.000 2.650 166 F HA 0.168 4.682 4.527 -0.021 0.000 0.355 166 F C 0.411 176.255 175.800 0.072 0.000 1.163 166 F CA -0.335 57.692 58.000 0.044 0.000 1.374 166 F CB -0.223 38.794 39.000 0.028 0.000 1.065 166 F HN 0.455 nan 8.300 nan 0.000 0.616 167 N N 1.987 120.845 118.700 0.262 0.000 2.499 167 N HA 0.094 4.821 4.740 -0.022 0.000 0.281 167 N C -1.006 174.722 175.510 0.363 0.000 1.098 167 N CA -0.392 52.777 53.050 0.197 0.000 0.979 167 N CB 1.316 39.924 38.487 0.201 0.000 1.121 167 N HN 0.735 nan 8.380 nan 0.000 0.466 168 Q N 2.127 122.095 119.800 0.281 0.000 2.303 168 Q HA 0.236 4.563 4.340 -0.022 0.000 0.257 168 Q C -1.011 175.158 176.000 0.282 0.000 0.941 168 Q CA -0.297 55.729 55.803 0.372 0.000 0.931 168 Q CB 0.795 29.746 28.738 0.355 0.000 1.215 168 Q HN 0.330 nan 8.270 nan 0.000 0.437 169 K N 3.574 124.122 120.400 0.246 0.000 2.259 169 K HA 0.489 4.796 4.320 -0.022 0.000 0.252 169 K C -0.861 175.842 176.600 0.172 0.000 0.936 169 K CA -0.781 55.623 56.287 0.196 0.000 0.810 169 K CB 1.447 34.041 32.500 0.156 0.000 1.143 169 K HN 0.533 nan 8.250 nan 0.000 0.427 170 I N 3.046 123.711 120.570 0.158 0.000 2.328 170 I HA 0.221 4.378 4.170 -0.022 0.000 0.287 170 I C -0.603 175.580 176.117 0.110 0.000 1.012 170 I CA -0.636 60.733 61.300 0.115 0.000 1.195 170 I CB 0.787 38.844 38.000 0.094 0.000 1.350 170 I HN 0.606 nan 8.210 nan 0.000 0.464 171 C N 4.006 123.381 119.300 0.124 0.000 2.322 171 C HA 0.592 5.039 4.460 -0.022 0.000 0.324 171 C C 1.190 176.288 174.990 0.180 0.000 1.249 171 C CA -0.476 58.616 59.018 0.124 0.000 1.453 171 C CB 0.519 28.319 27.740 0.099 0.000 2.145 171 C HN 1.081 nan 8.230 nan 0.000 0.466 172 G N 2.371 111.255 108.800 0.140 0.000 2.225 172 G HA2 0.111 4.058 3.960 -0.022 0.000 0.267 172 G HA3 0.111 4.058 3.960 -0.022 0.000 0.267 172 G C 1.078 176.059 174.900 0.134 0.000 1.024 172 G CA 0.965 46.167 45.100 0.171 0.000 0.784 172 G HN 2.395 nan 8.290 nan 0.000 0.507 173 G N -3.055 105.757 108.800 0.021 0.000 2.176 173 G HA2 -0.274 3.673 3.960 -0.022 0.000 0.253 173 G HA3 -0.274 3.673 3.960 -0.022 0.000 0.253 173 G C 0.305 175.026 174.900 -0.299 0.000 0.979 173 G CA 0.670 45.665 45.100 -0.175 0.000 0.641 173 G HN 1.218 nan 8.290 nan 0.000 0.530 174 W N 0.680 121.927 121.300 -0.087 0.000 2.578 174 W HA 0.677 5.324 4.660 -0.021 0.000 0.346 174 W C 0.547 177.013 176.519 -0.089 0.000 1.075 174 W CA -0.919 56.364 57.345 -0.103 0.000 1.233 174 W CB 0.851 30.267 29.460 -0.073 0.000 1.358 174 W HN 0.251 nan 8.180 nan 0.000 0.574 175 Q N 2.814 122.714 119.800 0.167 0.000 2.314 175 Q HA 0.298 4.625 4.340 -0.022 0.000 0.258 175 Q C -0.687 175.376 176.000 0.105 0.000 0.954 175 Q CA 0.123 55.995 55.803 0.115 0.000 0.890 175 Q CB 0.614 29.415 28.738 0.105 0.000 1.210 175 Q HN 0.315 nan 8.270 nan 0.000 0.410 176 M N 3.025 122.683 119.600 0.097 0.000 2.465 176 M HA 0.387 4.854 4.480 -0.022 0.000 0.316 176 M C -1.184 175.138 176.300 0.037 0.000 1.121 176 M CA -0.678 54.646 55.300 0.039 0.000 0.934 176 M CB 1.872 34.505 32.600 0.057 0.000 1.692 176 M HN 0.639 nan 8.290 nan 0.000 0.444 177 E N 1.267 121.418 120.200 -0.082 0.000 2.191 177 E HA 0.469 4.806 4.350 -0.022 0.000 0.278 177 E C -0.877 175.729 176.600 0.011 0.000 0.972 177 E CA -0.401 55.926 56.400 -0.122 0.000 0.804 177 E CB 1.816 31.204 29.700 -0.520 0.000 1.110 177 E HN 0.476 nan 8.360 nan 0.000 0.394 178 E N 1.798 122.085 120.200 0.144 0.000 2.246 178 E HA 0.537 4.874 4.350 -0.022 0.000 0.266 178 E C -1.190 175.503 176.600 0.156 0.000 0.880 178 E CA -1.042 55.428 56.400 0.116 0.000 0.762 178 E CB 1.193 30.972 29.700 0.132 0.000 1.180 178 E HN 0.633 nan 8.360 nan 0.000 0.416 179 A N 3.689 126.552 122.820 0.071 0.000 2.561 179 A HA -0.031 4.276 4.320 -0.022 0.000 0.234 179 A C 0.076 177.814 177.584 0.256 0.000 1.055 179 A CA 0.452 52.538 52.037 0.081 0.000 0.756 179 A CB 0.121 19.000 19.000 -0.202 0.000 0.986 179 A HN 0.702 nan 8.150 nan 0.000 0.505 180 D N 1.373 122.000 120.400 0.378 0.000 2.500 180 D HA 0.216 4.843 4.640 -0.022 0.000 0.219 180 D C -0.415 176.209 176.300 0.540 0.000 1.137 180 D CA -0.270 53.959 54.000 0.382 0.000 0.946 180 D CB 0.321 41.278 40.800 0.263 0.000 1.022 180 D HN 0.374 nan 8.370 nan 0.000 0.518 181 D N 3.761 124.443 120.400 0.470 0.000 2.745 181 D HA -0.047 4.580 4.640 -0.022 0.000 0.229 181 D C 1.145 177.580 176.300 0.225 0.000 1.088 181 D CA -0.403 53.799 54.000 0.336 0.000 1.054 181 D CB -0.184 40.786 40.800 0.283 0.000 1.132 181 D HN 0.565 nan 8.370 nan 0.000 0.464 182 W N 1.557 122.891 121.300 0.058 0.000 2.468 182 W HA -0.074 4.573 4.660 -0.022 0.000 0.262 182 W C 0.041 176.603 176.519 0.072 0.000 1.241 182 W CA 0.183 57.575 57.345 0.078 0.000 1.232 182 W CB -0.708 28.797 29.460 0.075 0.000 1.124 182 W HN 0.195 nan 8.180 nan 0.000 0.597 183 L N 1.005 121.888 121.223 -0.567 0.000 2.667 183 L HA 0.195 4.522 4.340 -0.022 0.000 0.232 183 L C 2.598 179.301 176.870 -0.278 0.000 1.138 183 L CA -0.081 54.401 54.840 -0.596 0.000 0.921 183 L CB -0.601 40.949 42.059 -0.849 0.000 1.180 183 L HN -0.147 nan 8.230 nan 0.000 0.487 184 R N 0.910 121.301 120.500 -0.181 0.000 2.134 184 R HA -0.250 4.077 4.340 -0.022 0.000 0.248 184 R C 1.252 177.329 176.300 -0.372 0.000 1.143 184 R CA 2.218 58.161 56.100 -0.262 0.000 0.957 184 R CB -0.368 29.764 30.300 -0.281 0.000 0.867 184 R HN 0.306 nan 8.270 nan 0.000 0.441 185 Y N -0.393 119.934 120.300 0.045 0.000 2.485 185 Y HA 0.389 4.926 4.550 -0.022 0.000 0.260 185 Y C 0.893 176.787 175.900 -0.009 0.000 1.173 185 Y CA 0.414 58.560 58.100 0.077 0.000 1.252 185 Y CB 0.840 39.475 38.460 0.292 0.000 1.123 185 Y HN 0.479 nan 8.280 nan 0.000 0.524 186 G N 1.249 110.069 108.800 0.033 0.000 2.655 186 G HA2 -0.202 3.745 3.960 -0.022 0.000 0.680 186 G HA3 -0.202 3.745 3.960 -0.022 0.000 0.680 186 G C -1.219 173.706 174.900 0.043 0.000 1.302 186 G CA -0.688 44.385 45.100 -0.044 0.000 0.872 186 G HN 0.247 nan 8.290 nan 0.000 0.540 187 N N 0.696 119.395 118.700 -0.002 0.000 2.577 187 N HA 0.541 5.268 4.740 -0.022 0.000 0.275 187 N C -0.933 174.569 175.510 -0.013 0.000 1.091 187 N CA -1.638 51.458 53.050 0.077 0.000 0.843 187 N CB 2.075 40.580 38.487 0.030 0.000 1.295 187 N HN 0.242 nan 8.380 nan 0.000 0.530 188 P HA 0.006 nan 4.420 nan 0.000 0.230 188 P C 0.549 177.492 177.300 -0.595 0.000 1.158 188 P CA 0.801 63.554 63.100 -0.579 0.000 0.769 188 P CB 0.100 31.162 31.700 -1.064 0.000 0.807 189 W N 1.691 123.007 121.300 0.026 0.000 2.576 189 W HA 0.077 4.724 4.660 -0.021 0.000 0.275 189 W C 1.377 177.937 176.519 0.070 0.000 1.241 189 W CA -0.292 57.062 57.345 0.015 0.000 1.328 189 W CB -0.520 28.943 29.460 0.004 0.000 1.092 189 W HN -0.025 nan 8.180 nan 0.000 0.586 190 E N 1.940 122.319 120.200 0.298 0.000 2.371 190 E HA 0.272 4.609 4.350 -0.022 0.000 0.257 190 E C -0.479 176.290 176.600 0.282 0.000 1.134 190 E CA -0.497 56.087 56.400 0.306 0.000 0.919 190 E CB 1.002 30.898 29.700 0.327 0.000 1.025 190 E HN -0.312 nan 8.360 nan 0.000 0.438 191 K N 0.936 121.514 120.400 0.297 0.000 2.637 191 K HA 0.409 4.716 4.320 -0.022 0.000 0.248 191 K C -1.303 175.315 176.600 0.030 0.000 0.971 191 K CA -0.367 56.025 56.287 0.174 0.000 0.858 191 K CB 1.569 34.186 32.500 0.194 0.000 1.170 191 K HN 0.683 nan 8.250 nan 0.000 0.443 192 A N 3.807 126.544 122.820 -0.139 0.000 2.483 192 A HA 0.432 4.739 4.320 -0.022 0.000 0.238 192 A C -0.291 177.082 177.584 -0.353 0.000 1.070 192 A CA -0.097 51.590 52.037 -0.584 0.000 0.770 192 A CB 0.246 18.868 19.000 -0.630 0.000 1.008 192 A HN 0.649 nan 8.150 nan 0.000 0.497 193 R N 2.579 122.861 120.500 -0.364 0.000 2.738 193 R HA 0.206 4.533 4.340 -0.022 0.000 0.280 193 R C -2.428 173.753 176.300 -0.198 0.000 1.456 193 R CA -1.653 54.312 56.100 -0.224 0.000 1.612 193 R CB 0.682 30.983 30.300 0.002 0.000 1.286 193 R HN 0.556 nan 8.270 nan 0.000 0.660 194 P HA -0.192 nan 4.420 nan 0.000 0.218 194 P C 0.949 178.179 177.300 -0.117 0.000 1.148 194 P CA 1.157 64.187 63.100 -0.117 0.000 0.822 194 P CB 0.336 31.970 31.700 -0.110 0.000 0.784 195 E N -0.655 119.380 120.200 -0.276 0.000 2.472 195 E HA -0.133 4.204 4.350 -0.022 0.000 0.200 195 E C 0.427 176.866 176.600 -0.268 0.000 1.046 195 E CA 0.814 57.009 56.400 -0.342 0.000 0.871 195 E CB -0.661 28.710 29.700 -0.548 0.000 0.806 195 E HN 0.244 nan 8.360 nan 0.000 0.533 196 F N 1.300 121.270 119.950 0.033 0.000 2.683 196 F HA 0.270 4.784 4.527 -0.022 0.000 0.306 196 F C 0.416 176.313 175.800 0.163 0.000 1.102 196 F CA -0.900 57.150 58.000 0.083 0.000 1.244 196 F CB 0.078 39.122 39.000 0.074 0.000 1.029 196 F HN -0.276 nan 8.300 nan 0.000 0.545 197 T N 3.209 117.927 114.554 0.274 0.000 2.946 197 T HA 0.351 4.688 4.350 -0.022 0.000 0.311 197 T C 0.145 174.956 174.700 0.184 0.000 1.063 197 T CA 0.554 62.807 62.100 0.256 0.000 1.139 197 T CB 0.588 69.554 68.868 0.163 0.000 0.994 197 T HN -0.011 nan 8.240 nan 0.000 0.547 198 L N 4.641 125.929 121.223 0.108 0.000 2.371 198 L HA 0.563 4.890 4.340 -0.022 0.000 0.262 198 L C -2.317 174.496 176.870 -0.096 0.000 1.006 198 L CA -2.572 52.252 54.840 -0.027 0.000 0.818 198 L CB 2.562 44.533 42.059 -0.146 0.000 1.354 198 L HN 0.408 nan 8.230 nan 0.000 0.415 199 P HA 0.337 nan 4.420 nan 0.000 0.292 199 P C -1.244 175.896 177.300 -0.266 0.000 1.283 199 P CA -0.482 62.510 63.100 -0.181 0.000 0.835 199 P CB 2.144 33.728 31.700 -0.192 0.000 1.017 200 V N 3.692 123.423 119.914 -0.304 0.000 2.604 200 V HA 0.337 4.444 4.120 -0.022 0.000 0.305 200 V C -0.268 175.554 176.094 -0.454 0.000 1.043 200 V CA -0.527 61.588 62.300 -0.308 0.000 0.888 200 V CB 1.319 33.006 31.823 -0.227 0.000 0.995 200 V HN 0.589 nan 8.190 nan 0.000 0.429 201 H N 3.720 122.590 119.070 -0.334 0.000 2.499 201 H HA 0.771 5.314 4.556 -0.022 0.000 0.340 201 H C -1.156 173.844 175.328 -0.547 0.000 1.148 201 H CA -0.335 55.428 56.048 -0.475 0.000 1.215 201 H CB 1.368 30.612 29.762 -0.863 0.000 1.529 201 H HN 0.482 nan 8.280 nan 0.000 0.510 202 F N 0.837 120.844 119.950 0.095 0.000 2.599 202 F HA 0.307 4.821 4.527 -0.022 0.000 0.311 202 F C -0.313 175.616 175.800 0.214 0.000 1.076 202 F CA -0.876 57.186 58.000 0.103 0.000 0.937 202 F CB 0.763 39.741 39.000 -0.037 0.000 1.282 202 F HN 0.587 nan 8.300 nan 0.000 0.460 203 Y N 0.273 120.876 120.300 0.505 0.000 2.887 203 Y HA -0.032 4.505 4.550 -0.022 0.000 0.467 203 Y C 1.481 177.649 175.900 0.447 0.000 1.191 203 Y CA 0.785 59.098 58.100 0.355 0.000 2.537 203 Y CB -1.889 36.704 38.460 0.222 0.000 1.225 203 Y HN 1.288 nan 8.280 nan 0.000 0.630 204 G N 0.748 109.837 108.800 0.482 0.000 2.645 204 G HA2 0.053 4.000 3.960 -0.022 0.000 0.246 204 G HA3 0.053 4.000 3.960 -0.022 0.000 0.246 204 G C -0.437 174.688 174.900 0.375 0.000 1.322 204 G CA 0.905 46.211 45.100 0.343 0.000 0.898 204 G HN 1.242 nan 8.290 nan 0.000 0.573 205 R N -2.776 117.935 120.500 0.351 0.000 2.870 205 R HA 0.790 5.117 4.340 -0.022 0.000 0.262 205 R C -1.490 174.948 176.300 0.230 0.000 1.112 205 R CA -1.010 55.231 56.100 0.236 0.000 0.976 205 R CB 1.355 31.740 30.300 0.142 0.000 1.261 205 R HN 0.884 nan 8.270 nan 0.000 0.453 206 V N 1.038 120.995 119.914 0.072 0.000 2.540 206 V HA 0.370 4.477 4.120 -0.022 0.000 0.302 206 V C -0.609 175.400 176.094 -0.141 0.000 1.035 206 V CA -0.672 61.594 62.300 -0.057 0.000 0.873 206 V CB 1.540 33.265 31.823 -0.164 0.000 0.992 206 V HN 0.851 nan 8.190 nan 0.000 0.428 207 E N 3.524 123.601 120.200 -0.204 0.000 2.256 207 E HA 0.559 4.896 4.350 -0.022 0.000 0.267 207 E C -1.294 175.106 176.600 -0.333 0.000 0.892 207 E CA -0.939 55.364 56.400 -0.163 0.000 0.775 207 E CB 2.156 31.836 29.700 -0.032 0.000 1.207 207 E HN 0.702 nan 8.360 nan 0.000 0.420 208 H N 2.596 121.679 119.070 0.021 0.000 2.643 208 H HA 0.165 4.708 4.556 -0.022 0.000 0.259 208 H C 0.090 175.427 175.328 0.014 0.000 1.298 208 H CA -0.397 55.659 56.048 0.014 0.000 1.301 208 H CB 0.831 30.596 29.762 0.006 0.000 1.422 208 H HN 0.691 nan 8.280 nan 0.000 0.521 209 T N -0.919 113.678 114.554 0.071 0.000 2.698 209 T HA -0.053 4.284 4.350 -0.022 0.000 0.295 209 T C 1.866 176.602 174.700 0.059 0.000 1.007 209 T CA -0.026 62.106 62.100 0.053 0.000 0.980 209 T CB 0.988 69.873 68.868 0.029 0.000 1.036 209 T HN 0.467 nan 8.240 nan 0.000 0.526 210 S N 0.013 115.738 115.700 0.041 0.000 2.442 210 S HA -0.150 4.307 4.470 -0.022 0.000 0.236 210 S C 1.367 175.988 174.600 0.035 0.000 1.007 210 S CA 1.107 59.328 58.200 0.035 0.000 0.965 210 S CB -0.781 62.435 63.200 0.026 0.000 0.773 210 S HN 0.891 nan 8.310 nan 0.000 0.504 211 Q N -0.277 119.545 119.800 0.036 0.000 2.155 211 Q HA 0.605 4.932 4.340 -0.022 0.000 0.273 211 Q C 0.506 176.530 176.000 0.039 0.000 0.857 211 Q CA -0.371 55.453 55.803 0.034 0.000 1.116 211 Q CB 0.380 29.134 28.738 0.027 0.000 1.209 211 Q HN 0.506 nan 8.270 nan 0.000 0.460 212 G N 0.460 109.292 108.800 0.054 0.000 2.343 212 G HA2 0.247 4.194 3.960 -0.022 0.000 0.465 212 G HA3 0.247 4.194 3.960 -0.022 0.000 0.465 212 G C -1.476 173.460 174.900 0.059 0.000 1.282 212 G CA -0.604 44.534 45.100 0.063 0.000 0.996 212 G HN 0.533 nan 8.290 nan 0.000 0.521 213 A N -0.131 122.716 122.820 0.044 0.000 2.310 213 A HA 0.800 5.107 4.320 -0.022 0.000 0.299 213 A C 0.206 177.750 177.584 -0.067 0.000 1.147 213 A CA -0.010 51.991 52.037 -0.061 0.000 0.818 213 A CB 0.758 19.733 19.000 -0.042 0.000 1.096 213 A HN 0.716 nan 8.150 nan 0.000 0.495 214 K N 1.356 121.694 120.400 -0.103 0.000 2.426 214 K HA 0.217 4.524 4.320 -0.022 0.000 0.254 214 K C -1.659 174.971 176.600 0.050 0.000 0.936 214 K CA -0.315 55.960 56.287 -0.021 0.000 0.801 214 K CB 1.956 34.444 32.500 -0.020 0.000 1.139 214 K HN 0.720 nan 8.250 nan 0.000 0.424 215 W N 6.085 127.299 121.300 -0.143 0.000 2.367 215 W HA 0.296 4.943 4.660 -0.022 0.000 0.329 215 W C -0.574 175.882 176.519 -0.106 0.000 1.066 215 W CA -0.880 56.387 57.345 -0.130 0.000 1.435 215 W CB -0.053 29.315 29.460 -0.154 0.000 1.296 215 W HN 0.337 nan 8.180 nan 0.000 0.401 216 V N 2.237 122.213 119.914 0.103 0.000 3.234 216 V HA 0.551 4.658 4.120 -0.022 0.000 0.317 216 V C 0.654 176.733 176.094 -0.025 0.000 1.147 216 V CA -0.643 61.639 62.300 -0.031 0.000 1.037 216 V CB 1.543 33.370 31.823 0.006 0.000 1.148 216 V HN 0.488 nan 8.190 nan 0.000 0.455 217 D N 0.562 120.947 120.400 -0.025 0.000 2.811 217 D HA -0.164 4.463 4.640 -0.022 0.000 0.231 217 D C 0.569 176.878 176.300 0.015 0.000 1.157 217 D CA 1.356 55.362 54.000 0.010 0.000 0.716 217 D CB -0.589 40.241 40.800 0.049 0.000 1.077 217 D HN 1.225 nan 8.370 nan 0.000 0.428 218 T N -2.593 111.916 114.554 -0.074 0.000 2.847 218 T HA 0.497 4.834 4.350 -0.022 0.000 0.279 218 T C 0.365 175.096 174.700 0.053 0.000 0.984 218 T CA -0.597 61.471 62.100 -0.054 0.000 0.988 218 T CB 2.056 70.696 68.868 -0.379 0.000 1.040 218 T HN 0.068 nan 8.240 nan 0.000 0.528 219 Q N 0.397 120.288 119.800 0.152 0.000 2.256 219 Q HA 0.614 4.941 4.340 -0.022 0.000 0.257 219 Q C -1.049 175.019 176.000 0.113 0.000 0.936 219 Q CA -0.947 54.956 55.803 0.167 0.000 0.903 219 Q CB 2.125 31.039 28.738 0.294 0.000 1.263 219 Q HN 0.535 nan 8.270 nan 0.000 0.440 220 V N 2.559 122.489 119.914 0.026 0.000 2.547 220 V HA 0.511 4.618 4.120 -0.022 0.000 0.299 220 V C -0.461 175.654 176.094 0.036 0.000 1.040 220 V CA -0.674 61.566 62.300 -0.099 0.000 0.913 220 V CB 1.890 33.588 31.823 -0.209 0.000 0.992 220 V HN 0.488 nan 8.190 nan 0.000 0.449 221 V N 5.460 125.410 119.914 0.060 0.000 2.577 221 V HA 0.458 4.565 4.120 -0.022 0.000 0.303 221 V C -0.279 175.906 176.094 0.153 0.000 1.042 221 V CA -0.516 61.890 62.300 0.176 0.000 0.872 221 V CB 1.848 33.893 31.823 0.369 0.000 0.998 221 V HN 0.649 nan 8.190 nan 0.000 0.423 222 L N 3.521 124.838 121.223 0.158 0.000 2.418 222 L HA 0.775 5.102 4.340 -0.022 0.000 0.265 222 L C 0.494 177.557 176.870 0.321 0.000 1.143 222 L CA -0.306 54.627 54.840 0.154 0.000 0.809 222 L CB 1.210 43.342 42.059 0.121 0.000 1.124 222 L HN 0.750 nan 8.230 nan 0.000 0.456 223 A N 4.428 127.370 122.820 0.203 0.000 2.323 223 A HA 0.564 4.871 4.320 -0.022 0.000 0.305 223 A C -0.545 177.325 177.584 0.476 0.000 1.275 223 A CA -0.465 51.726 52.037 0.257 0.000 0.804 223 A CB 0.953 19.620 19.000 -0.555 0.000 1.152 223 A HN 0.770 nan 8.150 nan 0.000 0.487 224 M N 5.937 125.877 119.600 0.568 0.000 2.129 224 M HA 0.469 4.936 4.480 -0.022 0.000 0.348 224 M C -2.611 173.987 176.300 0.498 0.000 1.116 224 M CA -2.076 53.505 55.300 0.468 0.000 1.022 224 M CB 1.869 34.657 32.600 0.313 0.000 1.599 224 M HN 0.337 nan 8.290 nan 0.000 0.449 225 P HA 0.215 nan 4.420 nan 0.000 0.282 225 P C -1.928 175.348 177.300 -0.039 0.000 1.249 225 P CA 0.048 63.053 63.100 -0.158 0.000 0.806 225 P CB 0.476 31.856 31.700 -0.533 0.000 0.984 226 Y N 0.726 120.962 120.300 -0.105 0.000 2.326 226 Y HA 0.269 4.806 4.550 -0.022 0.000 0.329 226 Y C 0.062 175.966 175.900 0.007 0.000 0.973 226 Y CA -0.355 57.748 58.100 0.004 0.000 1.162 226 Y CB 1.228 39.719 38.460 0.051 0.000 1.147 226 Y HN 0.222 nan 8.280 nan 0.000 0.456 227 D N 2.138 122.658 120.400 0.200 0.000 2.210 227 D HA 0.377 5.004 4.640 -0.022 0.000 0.249 227 D C -0.442 176.120 176.300 0.438 0.000 1.078 227 D CA -0.048 54.126 54.000 0.291 0.000 0.875 227 D CB 1.608 42.598 40.800 0.317 0.000 1.175 227 D HN 0.342 nan 8.370 nan 0.000 0.440 228 T N 3.096 117.809 114.554 0.266 0.000 2.848 228 T HA 0.484 4.821 4.350 -0.022 0.000 0.285 228 T C -2.606 171.904 174.700 -0.316 0.000 0.995 228 T CA -1.491 60.630 62.100 0.034 0.000 0.970 228 T CB 2.118 70.997 68.868 0.019 0.000 0.976 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.370 nan 4.420 nan 0.000 0.285 229 P C -0.845 176.097 177.300 -0.595 0.000 1.259 229 P CA -0.571 61.761 63.100 -1.280 0.000 0.794 229 P CB 1.130 31.721 31.700 -1.848 0.000 0.940 230 V N 2.494 122.146 119.914 -0.437 0.000 2.349 230 V HA 0.533 4.640 4.120 -0.022 0.000 0.284 230 V C -2.755 173.212 176.094 -0.212 0.000 1.014 230 V CA -2.834 59.306 62.300 -0.268 0.000 0.826 230 V CB 1.728 33.444 31.823 -0.179 0.000 1.009 230 V HN 0.368 nan 8.190 nan 0.000 0.431 231 P HA 0.373 nan 4.420 nan 0.000 0.286 231 P C 0.402 177.660 177.300 -0.070 0.000 1.269 231 P CA 0.466 63.489 63.100 -0.128 0.000 0.787 231 P CB 1.633 33.254 31.700 -0.131 0.000 0.920 232 G N 2.383 111.159 108.800 -0.040 0.000 2.580 232 G HA2 0.169 4.116 3.960 -0.022 0.000 0.278 232 G HA3 0.169 4.116 3.960 -0.022 0.000 0.278 232 G C -1.233 173.688 174.900 0.035 0.000 1.212 232 G CA -0.444 44.661 45.100 0.009 0.000 0.939 232 G HN 0.460 nan 8.290 nan 0.000 0.513 233 Y N 1.608 121.875 120.300 -0.055 0.000 2.539 233 Y HA 0.226 4.763 4.550 -0.022 0.000 0.352 233 Y C 1.523 177.389 175.900 -0.057 0.000 1.004 233 Y CA -0.424 57.638 58.100 -0.063 0.000 1.278 233 Y CB 0.018 38.437 38.460 -0.068 0.000 1.136 233 Y HN 0.668 nan 8.280 nan 0.000 0.528 234 R N 2.495 122.678 120.500 -0.527 0.000 3.826 234 R HA -0.293 4.034 4.340 -0.022 0.000 0.295 234 R C 0.101 176.268 176.300 -0.222 0.000 1.200 234 R CA 1.082 56.914 56.100 -0.448 0.000 0.818 234 R CB -2.237 27.658 30.300 -0.675 0.000 1.216 234 R HN 0.788 nan 8.270 nan 0.000 0.513 235 N N 0.186 118.806 118.700 -0.133 0.000 2.205 235 N HA -0.026 4.701 4.740 -0.022 0.000 0.201 235 N C 0.117 175.581 175.510 -0.078 0.000 1.128 235 N CA -0.060 52.942 53.050 -0.080 0.000 0.867 235 N CB 0.126 38.592 38.487 -0.035 0.000 0.996 235 N HN 0.169 nan 8.380 nan 0.000 0.503 236 N N -0.781 117.869 118.700 -0.083 0.000 2.782 236 N HA -0.124 4.603 4.740 -0.022 0.000 0.251 236 N C -1.252 174.220 175.510 -0.064 0.000 1.101 236 N CA 0.539 53.548 53.050 -0.068 0.000 0.764 236 N CB -1.668 36.778 38.487 -0.068 0.000 1.122 236 N HN 0.196 nan 8.380 nan 0.000 0.561 237 V N 1.037 120.918 119.914 -0.054 0.000 2.407 237 V HA 0.500 4.607 4.120 -0.022 0.000 0.278 237 V C 0.530 176.602 176.094 -0.036 0.000 1.037 237 V CA -0.565 61.710 62.300 -0.041 0.000 0.900 237 V CB 2.144 33.970 31.823 0.004 0.000 0.983 237 V HN -0.043 nan 8.190 nan 0.000 0.459 238 V N 5.257 125.156 119.914 -0.026 0.000 2.409 238 V HA 0.464 4.571 4.120 -0.022 0.000 0.290 238 V C -0.100 175.997 176.094 0.005 0.000 1.017 238 V CA -0.803 61.459 62.300 -0.063 0.000 0.841 238 V CB 1.553 33.320 31.823 -0.094 0.000 1.003 238 V HN 0.832 nan 8.190 nan 0.000 0.426 239 N N 1.963 120.634 118.700 -0.049 0.000 2.476 239 N HA 0.591 5.318 4.740 -0.022 0.000 0.287 239 N C -0.051 175.447 175.510 -0.020 0.000 1.262 239 N CA -0.317 52.721 53.050 -0.020 0.000 0.980 239 N CB 1.231 39.667 38.487 -0.085 0.000 1.163 239 N HN 0.622 nan 8.380 nan 0.000 0.592 240 T N 0.671 115.208 114.554 -0.028 0.000 2.863 240 T HA 0.443 4.780 4.350 -0.022 0.000 0.285 240 T C -0.326 174.342 174.700 -0.054 0.000 1.009 240 T CA -0.525 61.639 62.100 0.106 0.000 0.989 240 T CB 1.239 70.298 68.868 0.319 0.000 1.004 240 T HN 0.271 nan 8.240 nan 0.000 0.455 241 M N 3.312 122.860 119.600 -0.086 0.000 2.043 241 M HA 0.464 4.931 4.480 -0.022 0.000 0.322 241 M C -0.695 175.480 176.300 -0.209 0.000 0.962 241 M CA -0.739 54.413 55.300 -0.246 0.000 0.927 241 M CB 0.831 33.230 32.600 -0.334 0.000 1.466 241 M HN 0.505 nan 8.290 nan 0.000 0.412 242 R N 5.801 126.093 120.500 -0.347 0.000 2.229 242 R HA 0.626 4.953 4.340 -0.022 0.000 0.332 242 R C -1.875 174.188 176.300 -0.395 0.000 0.989 242 R CA -0.367 55.500 56.100 -0.388 0.000 0.842 242 R CB 0.785 30.724 30.300 -0.602 0.000 1.119 242 R HN 0.773 nan 8.270 nan 0.000 0.456 243 L N 5.154 126.223 121.223 -0.257 0.000 2.322 243 L HA 0.499 4.826 4.340 -0.022 0.000 0.281 243 L C -0.780 176.028 176.870 -0.103 0.000 1.014 243 L CA -0.959 53.805 54.840 -0.126 0.000 0.815 243 L CB 1.440 43.510 42.059 0.019 0.000 1.247 243 L HN 0.586 nan 8.230 nan 0.000 0.421 244 W N 1.765 123.203 121.300 0.230 0.000 2.316 244 W HA 0.468 5.115 4.660 -0.022 0.000 0.321 244 W C 0.576 177.340 176.519 0.409 0.000 1.203 244 W CA -0.190 57.315 57.345 0.268 0.000 1.214 244 W CB 1.314 30.781 29.460 0.011 0.000 1.169 244 W HN 0.342 nan 8.180 nan 0.000 0.561 245 S N 1.858 117.979 115.700 0.702 0.000 2.482 245 S HA 0.767 5.223 4.470 -0.022 0.000 0.303 245 S C -0.400 174.553 174.600 0.588 0.000 1.091 245 S CA -0.717 57.788 58.200 0.507 0.000 1.057 245 S CB 0.554 64.001 63.200 0.412 0.000 1.031 245 S HN 0.543 nan 8.310 nan 0.000 0.485 246 A N 4.838 127.828 122.820 0.282 0.000 2.363 246 A HA 0.708 5.015 4.320 -0.022 0.000 0.270 246 A C -0.338 177.341 177.584 0.158 0.000 1.121 246 A CA -0.313 51.795 52.037 0.118 0.000 0.800 246 A CB 0.335 19.127 19.000 -0.345 0.000 1.052 246 A HN 0.683 nan 8.150 nan 0.000 0.493 247 K N 0.734 121.246 120.400 0.186 0.000 2.469 247 K HA 0.644 4.951 4.320 -0.022 0.000 0.254 247 K C -0.496 176.168 176.600 0.107 0.000 0.939 247 K CA -0.451 55.919 56.287 0.138 0.000 0.812 247 K CB 2.174 34.767 32.500 0.155 0.000 1.301 247 K HN 0.806 nan 8.250 nan 0.000 0.433 248 A N 3.300 126.163 122.820 0.073 0.000 2.371 248 A HA 0.522 4.829 4.320 -0.022 0.000 0.257 248 A C -1.967 175.647 177.584 0.051 0.000 1.089 248 A CA -0.926 51.144 52.037 0.056 0.000 0.794 248 A CB -0.397 18.624 19.000 0.034 0.000 1.029 248 A HN 0.409 nan 8.150 nan 0.000 0.488 249 P HA 0.225 nan 4.420 nan 0.000 0.274 249 P C -0.554 176.760 177.300 0.024 0.000 1.256 249 P CA -0.359 62.758 63.100 0.029 0.000 0.795 249 P CB 0.676 32.384 31.700 0.013 0.000 1.038 262 Y N 0.918 121.220 120.300 0.004 0.000 2.184 262 Y HA 0.091 4.628 4.550 -0.022 0.000 0.290 262 Y C 2.661 178.565 175.900 0.006 0.000 1.129 262 Y CA 2.029 60.132 58.100 0.005 0.000 1.144 262 Y CB -0.035 38.428 38.460 0.004 0.000 0.995 262 Y HN 0.216 nan 8.280 nan 0.000 0.513 263 I N 0.653 121.234 120.570 0.018 0.000 2.127 263 I HA -0.297 3.860 4.170 -0.022 0.000 0.241 263 I C 2.357 178.400 176.117 -0.124 0.000 1.075 263 I CA 1.722 62.972 61.300 -0.083 0.000 1.334 263 I CB -1.416 36.617 38.000 0.055 0.000 1.040 263 I HN 0.329 nan 8.210 nan 0.000 0.405 264 Q N 1.039 120.806 119.800 -0.056 0.000 2.181 264 Q HA -0.113 4.214 4.340 -0.022 0.000 0.205 264 Q C 2.178 178.133 176.000 -0.075 0.000 0.980 264 Q CA 2.091 57.864 55.803 -0.049 0.000 0.862 264 Q CB -0.345 28.381 28.738 -0.019 0.000 0.905 264 Q HN 0.488 nan 8.270 nan 0.000 0.429 265 A N -0.956 121.801 122.820 -0.104 0.000 1.930 265 A HA -0.101 4.206 4.320 -0.022 0.000 0.217 265 A C 2.195 179.694 177.584 -0.142 0.000 1.175 265 A CA 1.542 53.516 52.037 -0.105 0.000 0.627 265 A CB -0.578 18.363 19.000 -0.099 0.000 0.815 265 A HN 0.256 nan 8.150 nan 0.000 0.443 266 V N 0.150 119.921 119.914 -0.237 0.000 2.453 266 V HA -0.192 3.915 4.120 -0.022 0.000 0.247 266 V C 2.486 178.511 176.094 -0.116 0.000 1.048 266 V CA 1.605 63.777 62.300 -0.213 0.000 1.049 266 V CB -0.723 30.904 31.823 -0.327 0.000 0.672 266 V HN 0.547 nan 8.190 nan 0.000 0.457 267 L N -0.253 120.911 121.223 -0.098 0.000 2.093 267 L HA -0.139 4.188 4.340 -0.022 0.000 0.208 267 L C 2.140 178.988 176.870 -0.037 0.000 1.085 267 L CA 1.344 56.152 54.840 -0.054 0.000 0.755 267 L CB -0.707 41.327 42.059 -0.042 0.000 0.904 267 L HN 0.310 nan 8.230 nan 0.000 0.435 268 D N 0.193 120.569 120.400 -0.041 0.000 2.378 268 D HA -0.107 4.519 4.640 -0.022 0.000 0.222 268 D C 2.108 178.398 176.300 -0.017 0.000 0.980 268 D CA 0.597 54.582 54.000 -0.026 0.000 0.907 268 D CB -0.057 40.728 40.800 -0.026 0.000 0.899 268 D HN 0.207 nan 8.370 nan 0.000 0.527 269 R N 0.288 120.774 120.500 -0.022 0.000 2.293 269 R HA -0.038 4.289 4.340 -0.022 0.000 0.219 269 R C 1.438 177.741 176.300 0.005 0.000 1.091 269 R CA 0.447 56.542 56.100 -0.008 0.000 1.004 269 R CB -0.011 30.281 30.300 -0.013 0.000 0.865 269 R HN 0.134 nan 8.270 nan 0.000 0.469 270 N N 0.715 119.416 118.700 0.002 0.000 2.244 270 N HA -0.099 4.628 4.740 -0.022 0.000 0.183 270 N C 1.659 177.175 175.510 0.011 0.000 1.016 270 N CA 0.918 53.975 53.050 0.011 0.000 0.866 270 N CB -0.077 38.416 38.487 0.010 0.000 0.980 270 N HN 0.226 nan 8.380 nan 0.000 0.430 271 L N 0.433 121.659 121.223 0.005 0.000 2.079 271 L HA -0.144 4.183 4.340 -0.022 0.000 0.210 271 L C 2.263 179.133 176.870 -0.000 0.000 1.081 271 L CA 1.265 56.107 54.840 0.003 0.000 0.752 271 L CB -0.421 41.639 42.059 0.002 0.000 0.896 271 L HN 0.139 nan 8.230 nan 0.000 0.433 272 A N -0.338 122.487 122.820 0.009 0.000 1.970 272 A HA -0.120 4.187 4.320 -0.022 0.000 0.216 272 A C 1.983 179.558 177.584 -0.015 0.000 1.170 272 A CA 0.922 52.965 52.037 0.011 0.000 0.645 272 A CB -0.230 18.797 19.000 0.044 0.000 0.816 272 A HN 0.433 nan 8.150 nan 0.000 0.447 273 E N 0.141 120.342 120.200 0.002 0.000 2.502 273 E HA -0.016 4.321 4.350 -0.022 0.000 0.194 273 E C 0.800 177.400 176.600 -0.001 0.000 1.062 273 E CA -0.139 56.262 56.400 0.002 0.000 0.867 273 E CB -0.029 29.692 29.700 0.036 0.000 0.888 273 E HN 0.410 nan 8.360 nan 0.000 0.510 274 N N 0.695 119.392 118.700 -0.005 0.000 2.457 274 N HA -0.008 4.719 4.740 -0.022 0.000 0.180 274 N C 1.477 176.990 175.510 0.005 0.000 1.050 274 N CA 0.477 53.537 53.050 0.017 0.000 0.906 274 N CB 0.129 38.624 38.487 0.013 0.000 0.968 274 N HN 0.246 nan 8.380 nan 0.000 0.445 275 I N 0.188 120.710 120.570 -0.079 0.000 2.264 275 I HA -0.219 3.938 4.170 -0.022 0.000 0.248 275 I C 1.219 177.298 176.117 -0.064 0.000 1.111 275 I CA 1.143 62.364 61.300 -0.133 0.000 1.382 275 I CB -0.112 37.665 38.000 -0.371 0.000 1.060 275 I HN 0.116 nan 8.210 nan 0.000 0.418 276 S N -0.660 115.000 115.700 -0.067 0.000 2.574 276 S HA 0.209 4.666 4.470 -0.022 0.000 0.242 276 S C 1.398 176.124 174.600 0.211 0.000 0.982 276 S CA -0.609 57.632 58.200 0.069 0.000 0.977 276 S CB 0.323 63.534 63.200 0.018 0.000 0.814 276 S HN 0.184 nan 8.310 nan 0.000 0.464 277 R N 1.348 121.974 120.500 0.211 0.000 2.057 277 R HA 0.261 4.588 4.340 -0.022 0.000 0.229 277 R C 0.452 176.995 176.300 0.406 0.000 1.136 277 R CA 1.312 57.578 56.100 0.277 0.000 0.952 277 R CB -0.364 30.060 30.300 0.207 0.000 0.848 277 R HN 0.400 nan 8.270 nan 0.000 0.430 278 V N 0.250 120.347 119.914 0.305 0.000 2.971 278 V HA 0.385 4.492 4.120 -0.022 0.000 0.309 278 V C -1.578 174.459 176.094 -0.094 0.000 1.130 278 V CA -1.366 61.044 62.300 0.185 0.000 0.964 278 V CB 1.851 33.713 31.823 0.064 0.000 1.029 278 V HN 0.201 nan 8.190 nan 0.000 0.427 279 L N 6.414 127.367 121.223 -0.449 0.000 2.319 279 L HA 0.497 4.824 4.340 -0.022 0.000 0.280 279 L C -0.804 175.877 176.870 -0.315 0.000 1.099 279 L CA 0.352 54.679 54.840 -0.855 0.000 0.828 279 L CB 0.518 41.951 42.059 -1.044 0.000 1.150 279 L HN 0.683 nan 8.230 nan 0.000 0.442 280 Y N 7.073 127.276 120.300 -0.161 0.000 2.729 280 Y HA 0.124 4.661 4.550 -0.022 0.000 0.331 280 Y C -1.302 174.596 175.900 -0.003 0.000 1.208 280 Y CA -0.871 57.214 58.100 -0.025 0.000 1.521 280 Y CB 0.330 38.799 38.460 0.016 0.000 1.233 280 Y HN 0.589 nan 8.280 nan 0.000 0.539 281 P HA -0.016 nan 4.420 nan 0.000 0.259 281 P C -1.130 176.321 177.300 0.252 0.000 1.480 281 P CA 0.228 63.454 63.100 0.211 0.000 0.842 281 P CB -0.187 31.726 31.700 0.355 0.000 1.513 282 N N 0.869 119.724 118.700 0.260 0.000 2.456 282 N HA 0.222 4.949 4.740 -0.022 0.000 0.288 282 N C -0.496 175.181 175.510 0.278 0.000 1.059 282 N CA -0.551 52.676 53.050 0.295 0.000 0.946 282 N CB 1.170 39.875 38.487 0.364 0.000 1.150 282 N HN -0.007 nan 8.380 nan 0.000 0.479 283 D N 2.100 122.695 120.400 0.325 0.000 2.481 283 D HA 0.134 4.761 4.640 -0.022 0.000 0.246 283 D C -0.471 176.121 176.300 0.487 0.000 1.109 283 D CA -0.275 53.943 54.000 0.364 0.000 0.845 283 D CB 0.394 41.419 40.800 0.375 0.000 1.160 283 D HN 0.535 nan 8.370 nan 0.000 0.534 284 N N 2.609 121.528 118.700 0.365 0.000 2.776 284 N HA -0.235 4.492 4.740 -0.022 0.000 0.249 284 N C -1.125 174.626 175.510 0.402 0.000 1.111 284 N CA 0.636 53.874 53.050 0.313 0.000 0.711 284 N CB -1.142 37.470 38.487 0.208 0.000 1.065 284 N HN 0.444 nan 8.380 nan 0.000 0.556 285 F N 0.619 120.686 119.950 0.196 0.000 2.596 285 F HA 0.531 5.045 4.527 -0.022 0.000 0.311 285 F C -1.348 174.539 175.800 0.146 0.000 1.116 285 F CA -1.285 56.799 58.000 0.139 0.000 0.957 285 F CB 0.961 40.006 39.000 0.075 0.000 1.250 285 F HN -0.072 nan 8.300 nan 0.000 0.444 286 F N 5.439 124.873 119.950 -0.860 0.000 2.415 286 F HA 0.540 5.054 4.527 -0.022 0.000 0.348 286 F C -0.714 174.440 175.800 -1.077 0.000 1.119 286 F CA -0.437 57.107 58.000 -0.760 0.000 1.069 286 F CB 1.082 39.748 39.000 -0.558 0.000 1.124 286 F HN 0.608 nan 8.300 nan 0.000 0.472 287 E N 4.013 123.394 120.200 -1.364 0.000 2.235 287 E HA 0.378 4.715 4.350 -0.022 0.000 0.252 287 E C -0.115 175.681 176.600 -1.341 0.000 0.886 287 E CA -0.704 55.044 56.400 -1.087 0.000 0.767 287 E CB 1.021 30.478 29.700 -0.405 0.000 1.205 287 E HN 0.936 nan 8.360 nan 0.000 0.421 288 G N 5.197 113.090 108.800 -1.512 0.000 3.090 288 G HA2 -0.007 3.940 3.960 -0.022 0.000 0.259 288 G HA3 -0.007 3.940 3.960 -0.022 0.000 0.259 288 G C -0.087 174.750 174.900 -0.104 0.000 0.797 288 G CA -0.147 44.382 45.100 -0.951 0.000 2.032 288 G HN 0.177 nan 8.290 nan 0.000 0.614 289 K N 0.638 121.014 120.400 -0.041 0.000 2.183 289 K HA 0.173 4.480 4.320 -0.022 0.000 0.274 289 K C 1.049 177.743 176.600 0.157 0.000 1.009 289 K CA -0.654 55.672 56.287 0.064 0.000 0.888 289 K CB 2.020 34.514 32.500 -0.011 0.000 1.078 289 K HN 0.492 nan 8.250 nan 0.000 0.459 290 E N 2.056 122.320 120.200 0.106 0.000 2.118 290 E HA -0.223 4.114 4.350 -0.022 0.000 0.195 290 E C 1.416 177.995 176.600 -0.036 0.000 0.992 290 E CA 1.024 57.424 56.400 0.000 0.000 0.804 290 E CB 0.175 29.888 29.700 0.021 0.000 0.741 290 E HN 0.395 nan 8.360 nan 0.000 0.458 291 L N 1.133 122.391 121.223 0.059 0.000 2.131 291 L HA -0.148 4.179 4.340 -0.022 0.000 0.210 291 L C 2.363 179.315 176.870 0.138 0.000 1.092 291 L CA 1.708 56.610 54.840 0.103 0.000 0.759 291 L CB -0.466 41.732 42.059 0.231 0.000 0.903 291 L HN 0.007 nan 8.230 nan 0.000 0.435 292 R N -0.556 119.985 120.500 0.068 0.000 2.073 292 R HA -0.123 4.204 4.340 -0.022 0.000 0.229 292 R C 2.092 178.417 176.300 0.041 0.000 1.120 292 R CA 1.794 57.895 56.100 0.003 0.000 0.967 292 R CB -1.072 29.035 30.300 -0.322 0.000 0.862 292 R HN 0.391 nan 8.270 nan 0.000 0.436 293 L N 0.901 122.021 121.223 -0.171 0.000 2.083 293 L HA -0.052 4.275 4.340 -0.022 0.000 0.209 293 L C 1.726 178.500 176.870 -0.159 0.000 1.083 293 L CA 1.899 56.435 54.840 -0.507 0.000 0.752 293 L CB -0.405 41.007 42.059 -1.079 0.000 0.899 293 L HN 0.157 nan 8.230 nan 0.000 0.433 294 K N -1.045 119.299 120.400 -0.094 0.000 2.057 294 K HA -0.181 4.126 4.320 -0.022 0.000 0.207 294 K C 2.135 178.887 176.600 0.253 0.000 1.049 294 K CA 1.685 57.973 56.287 0.003 0.000 0.931 294 K CB -0.146 32.165 32.500 -0.315 0.000 0.714 294 K HN 0.484 nan 8.250 nan 0.000 0.440 295 Q N 0.486 120.403 119.800 0.195 0.000 2.084 295 Q HA -0.184 4.143 4.340 -0.022 0.000 0.202 295 Q C 1.859 178.060 176.000 0.335 0.000 0.978 295 Q CA 1.438 57.420 55.803 0.298 0.000 0.844 295 Q CB 0.067 29.001 28.738 0.325 0.000 0.898 295 Q HN 0.374 nan 8.270 nan 0.000 0.426 296 E N -0.364 119.984 120.200 0.247 0.000 2.072 296 E HA -0.201 4.136 4.350 -0.022 0.000 0.191 296 E C 1.654 178.365 176.600 0.186 0.000 0.985 296 E CA 0.947 57.477 56.400 0.216 0.000 0.801 296 E CB -0.113 29.695 29.700 0.180 0.000 0.750 296 E HN 0.335 nan 8.360 nan 0.000 0.452 297 Y N 0.316 120.666 120.300 0.083 0.000 2.373 297 Y HA -0.162 4.375 4.550 -0.022 0.000 0.293 297 Y C 1.889 177.830 175.900 0.068 0.000 1.129 297 Y CA 0.707 58.815 58.100 0.013 0.000 1.226 297 Y CB -0.174 38.271 38.460 -0.024 0.000 1.000 297 Y HN 0.002 nan 8.280 nan 0.000 0.549 298 F N -0.317 119.646 119.950 0.022 0.000 2.069 298 F HA -0.230 4.284 4.527 -0.022 0.000 0.298 298 F C 2.471 178.125 175.800 -0.243 0.000 1.113 298 F CA 2.022 59.986 58.000 -0.060 0.000 1.214 298 F CB -1.106 37.990 39.000 0.160 0.000 0.978 298 F HN -0.080 nan 8.300 nan 0.000 0.474 299 V N -0.413 119.448 119.914 -0.089 0.000 2.515 299 V HA -0.184 3.923 4.120 -0.022 0.000 0.250 299 V C 2.136 178.061 176.094 -0.281 0.000 1.058 299 V CA 1.889 64.103 62.300 -0.144 0.000 1.064 299 V CB -0.396 31.556 31.823 0.214 0.000 0.675 299 V HN 0.270 nan 8.190 nan 0.000 0.461 300 V N 0.417 120.167 119.914 -0.274 0.000 2.283 300 V HA -0.140 3.967 4.120 -0.022 0.000 0.243 300 V C 2.841 178.638 176.094 -0.494 0.000 1.039 300 V CA 2.072 64.191 62.300 -0.302 0.000 1.016 300 V CB -1.116 30.587 31.823 -0.201 0.000 0.650 300 V HN 0.639 nan 8.190 nan 0.000 0.449 301 A N 0.048 122.390 122.820 -0.796 0.000 1.873 301 A HA -0.214 4.093 4.320 -0.022 0.000 0.218 301 A C 2.394 179.594 177.584 -0.639 0.000 1.193 301 A CA 2.552 54.130 52.037 -0.765 0.000 0.629 301 A CB -0.975 17.374 19.000 -1.085 0.000 0.826 301 A HN 0.604 nan 8.150 nan 0.000 0.447 302 A N -1.557 120.727 122.820 -0.893 0.000 1.930 302 A HA -0.040 4.267 4.320 -0.022 0.000 0.217 302 A C 2.304 179.356 177.584 -0.887 0.000 1.175 302 A CA 2.228 53.574 52.037 -1.152 0.000 0.627 302 A CB -1.192 16.532 19.000 -2.125 0.000 0.815 302 A HN 0.441 nan 8.150 nan 0.000 0.443 303 T N 0.158 114.302 114.554 -0.683 0.000 2.708 303 T HA -0.104 4.233 4.350 -0.022 0.000 0.266 303 T C 1.734 176.128 174.700 -0.510 0.000 1.037 303 T CA 1.582 63.376 62.100 -0.510 0.000 1.146 303 T CB -0.306 68.280 68.868 -0.471 0.000 0.865 303 T HN 0.216 nan 8.240 nan 0.000 0.435 304 L N 1.067 122.053 121.223 -0.394 0.000 2.141 304 L HA -0.022 4.305 4.340 -0.022 0.000 0.209 304 L C 2.596 179.340 176.870 -0.210 0.000 1.094 304 L CA 1.536 56.208 54.840 -0.280 0.000 0.763 304 L CB -0.757 41.180 42.059 -0.203 0.000 0.908 304 L HN 0.295 nan 8.230 nan 0.000 0.437 305 Q N -0.895 118.770 119.800 -0.225 0.000 2.020 305 Q HA -0.252 4.075 4.340 -0.022 0.000 0.202 305 Q C 1.875 177.824 176.000 -0.086 0.000 0.982 305 Q CA 1.799 57.520 55.803 -0.137 0.000 0.838 305 Q CB -0.159 28.479 28.738 -0.166 0.000 0.899 305 Q HN 0.406 nan 8.270 nan 0.000 0.423 306 D N 0.266 120.607 120.400 -0.099 0.000 2.149 306 D HA -0.142 4.485 4.640 -0.022 0.000 0.198 306 D C 1.611 177.858 176.300 -0.088 0.000 0.990 306 D CA 0.956 54.952 54.000 -0.007 0.000 0.839 306 D CB -0.018 40.898 40.800 0.193 0.000 0.948 306 D HN 0.190 nan 8.370 nan 0.000 0.460 307 I N -0.213 120.214 120.570 -0.239 0.000 2.193 307 I HA -0.197 3.960 4.170 -0.022 0.000 0.240 307 I C 2.233 178.365 176.117 0.025 0.000 1.084 307 I CA 0.651 61.757 61.300 -0.322 0.000 1.365 307 I CB -0.111 37.547 38.000 -0.569 0.000 1.064 307 I HN 0.010 nan 8.210 nan 0.000 0.410 308 I N 0.333 120.982 120.570 0.133 0.000 2.361 308 I HA -0.294 3.863 4.170 -0.022 0.000 0.251 308 I C 2.750 179.052 176.117 0.309 0.000 1.133 308 I CA 1.170 62.679 61.300 0.349 0.000 1.413 308 I CB -0.363 37.774 38.000 0.228 0.000 1.073 308 I HN 0.190 nan 8.210 nan 0.000 0.424 309 R N 1.077 121.666 120.500 0.149 0.000 2.062 309 R HA -0.177 4.150 4.340 -0.022 0.000 0.231 309 R C 2.512 178.872 176.300 0.100 0.000 1.136 309 R CA 1.489 57.651 56.100 0.103 0.000 0.948 309 R CB -0.236 30.090 30.300 0.043 0.000 0.845 309 R HN 0.188 nan 8.270 nan 0.000 0.430 310 R N -0.398 120.152 120.500 0.084 0.000 2.152 310 R HA -0.173 4.154 4.340 -0.022 0.000 0.232 310 R C 2.064 178.451 176.300 0.146 0.000 1.117 310 R CA 1.593 57.742 56.100 0.083 0.000 0.981 310 R CB -0.324 30.009 30.300 0.055 0.000 0.870 310 R HN 0.302 nan 8.270 nan 0.000 0.451 311 F N 0.993 120.972 119.950 0.049 0.000 2.259 311 F HA -0.007 4.507 4.527 -0.022 0.000 0.298 311 F C 1.667 177.486 175.800 0.032 0.000 1.088 311 F CA 1.292 59.323 58.000 0.052 0.000 1.358 311 F CB 0.095 39.182 39.000 0.145 0.000 1.040 311 F HN -0.154 nan 8.300 nan 0.000 0.505 312 K N 0.349 120.742 120.400 -0.012 0.000 2.155 312 K HA 0.004 4.311 4.320 -0.022 0.000 0.203 312 K C 0.987 177.506 176.600 -0.135 0.000 1.052 312 K CA 0.934 57.123 56.287 -0.163 0.000 0.948 312 K CB -0.067 32.436 32.500 0.005 0.000 0.728 312 K HN 0.377 nan 8.250 nan 0.000 0.448 326 F N 1.997 122.039 119.950 0.152 0.000 2.727 326 F HA 0.328 4.842 4.527 -0.022 0.000 0.302 326 F C 1.286 177.152 175.800 0.109 0.000 1.097 326 F CA -0.086 57.990 58.000 0.127 0.000 1.330 326 F CB 0.346 39.305 39.000 -0.069 0.000 1.084 326 F HN 0.144 nan 8.300 nan 0.000 0.578 327 D N 0.513 121.055 120.400 0.236 0.000 2.144 327 D HA -0.127 4.500 4.640 -0.022 0.000 0.199 327 D C 2.180 178.579 176.300 0.165 0.000 0.984 327 D CA 1.228 55.325 54.000 0.162 0.000 0.834 327 D CB -0.046 40.821 40.800 0.112 0.000 0.955 327 D HN 0.234 nan 8.370 nan 0.000 0.465 328 A N -0.729 122.217 122.820 0.211 0.000 2.275 328 A HA 0.068 4.375 4.320 -0.022 0.000 0.212 328 A C 1.599 179.318 177.584 0.226 0.000 1.201 328 A CA -0.314 51.843 52.037 0.201 0.000 0.843 328 A CB -0.621 18.497 19.000 0.196 0.000 0.873 328 A HN 0.103 nan 8.150 nan 0.000 0.492 329 F N 2.063 122.013 119.950 0.000 0.000 2.065 329 F HA -0.111 4.403 4.527 -0.021 0.000 0.298 329 F C -0.793 174.928 175.800 -0.132 0.000 1.112 329 F CA 2.259 60.082 58.000 -0.295 0.000 1.212 329 F CB -0.750 38.075 39.000 -0.290 0.000 0.975 329 F HN 0.200 nan 8.300 nan 0.000 0.476 330 P HA -0.088 nan 4.420 nan 0.000 0.225 330 P C 0.783 178.052 177.300 -0.051 0.000 1.148 330 P CA 1.418 64.502 63.100 -0.026 0.000 0.779 330 P CB -0.063 31.638 31.700 0.002 0.000 0.780 331 D N -0.601 119.788 120.400 -0.018 0.000 2.289 331 D HA -0.030 4.597 4.640 -0.022 0.000 0.207 331 D C 1.460 177.752 176.300 -0.013 0.000 0.966 331 D CA 0.941 54.941 54.000 -0.001 0.000 0.868 331 D CB 0.083 40.903 40.800 0.033 0.000 0.943 331 D HN 0.212 nan 8.370 nan 0.000 0.514 332 K N -0.045 120.331 120.400 -0.039 0.000 2.373 332 K HA 0.217 4.524 4.320 -0.022 0.000 0.200 332 K C 0.113 176.637 176.600 -0.126 0.000 1.054 332 K CA 0.077 56.346 56.287 -0.029 0.000 1.065 332 K CB 2.195 34.770 32.500 0.125 0.000 0.886 332 K HN -0.063 nan 8.250 nan 0.000 0.546 333 V N 1.107 120.864 119.914 -0.260 0.000 2.638 333 V HA 0.650 4.757 4.120 -0.022 0.000 0.306 333 V C -1.117 174.900 176.094 -0.130 0.000 1.052 333 V CA -1.243 60.896 62.300 -0.267 0.000 0.885 333 V CB 1.862 33.239 31.823 -0.743 0.000 0.999 333 V HN 0.162 nan 8.190 nan 0.000 0.424 334 A N 5.500 128.297 122.820 -0.038 0.000 2.353 334 A HA 0.906 5.213 4.320 -0.022 0.000 0.299 334 A C -1.054 176.566 177.584 0.059 0.000 1.089 334 A CA -0.374 51.673 52.037 0.017 0.000 0.736 334 A CB 0.884 19.841 19.000 -0.072 0.000 1.195 334 A HN 0.766 nan 8.150 nan 0.000 0.447 335 I N 1.900 122.548 120.570 0.131 0.000 2.355 335 I HA 0.322 4.479 4.170 -0.022 0.000 0.288 335 I C -0.145 176.063 176.117 0.151 0.000 0.999 335 I CA -0.461 60.926 61.300 0.143 0.000 1.163 335 I CB 1.939 40.003 38.000 0.107 0.000 1.316 335 I HN 0.713 nan 8.210 nan 0.000 0.454 336 Q N 6.914 126.798 119.800 0.140 0.000 2.314 336 Q HA 0.507 4.834 4.340 -0.022 0.000 0.259 336 Q C -1.357 174.643 176.000 -0.000 0.000 0.951 336 Q CA -0.287 55.620 55.803 0.173 0.000 0.909 336 Q CB 1.232 30.171 28.738 0.335 0.000 1.236 336 Q HN 0.575 nan 8.270 nan 0.000 0.444 337 L N 3.863 125.129 121.223 0.071 0.000 2.261 337 L HA 0.377 4.704 4.340 -0.022 0.000 0.289 337 L C 0.099 177.012 176.870 0.072 0.000 1.059 337 L CA -0.688 54.191 54.840 0.064 0.000 0.816 337 L CB 0.530 42.667 42.059 0.130 0.000 1.191 337 L HN 0.576 nan 8.230 nan 0.000 0.431 338 N N 4.508 123.173 118.700 -0.058 0.000 2.605 338 N HA 0.057 4.784 4.740 -0.022 0.000 0.258 338 N C -0.199 175.354 175.510 0.071 0.000 1.156 338 N CA 0.531 53.596 53.050 0.024 0.000 1.008 338 N CB -0.209 38.214 38.487 -0.107 0.000 1.354 338 N HN 0.631 nan 8.380 nan 0.000 0.509 339 D N -0.663 119.879 120.400 0.237 0.000 5.019 339 D HA -0.214 4.413 4.640 -0.022 0.000 0.304 339 D C 0.407 176.813 176.300 0.176 0.000 2.360 339 D CA 1.375 55.498 54.000 0.205 0.000 1.276 339 D CB -0.512 40.090 40.800 -0.329 0.000 1.079 339 D HN 0.463 nan 8.370 nan 0.000 1.254 340 T N -2.325 112.258 114.554 0.047 0.000 3.113 340 T HA 0.051 4.388 4.350 -0.022 0.000 0.256 340 T C 1.656 176.438 174.700 0.137 0.000 1.131 340 T CA 1.631 63.729 62.100 -0.003 0.000 1.074 340 T CB -0.498 68.344 68.868 -0.044 0.000 0.944 340 T HN 0.495 nan 8.240 nan 0.000 0.516 341 H N 2.715 121.878 119.070 0.156 0.000 2.321 341 H HA -0.035 4.508 4.556 -0.022 0.000 0.295 341 H C -0.817 174.606 175.328 0.157 0.000 1.102 341 H CA 1.197 57.354 56.048 0.181 0.000 1.266 341 H CB -0.863 29.007 29.762 0.181 0.000 1.363 341 H HN 0.442 nan 8.280 nan 0.000 0.492 342 P HA 0.092 nan 4.420 nan 0.000 0.262 342 P C 0.661 178.010 177.300 0.082 0.000 1.651 342 P CA 0.332 63.520 63.100 0.146 0.000 1.119 342 P CB 0.386 32.165 31.700 0.131 0.000 1.552 343 S N -0.240 115.503 115.700 0.071 0.000 2.442 343 S HA -0.112 4.345 4.470 -0.022 0.000 0.236 343 S C 1.775 176.382 174.600 0.013 0.000 1.007 343 S CA 0.691 58.892 58.200 0.002 0.000 0.965 343 S CB -1.476 61.694 63.200 -0.050 0.000 0.773 343 S HN 0.143 nan 8.310 nan 0.000 0.504 344 L N 1.001 122.245 121.223 0.036 0.000 2.549 344 L HA -0.020 4.307 4.340 -0.022 0.000 0.230 344 L C 2.869 179.770 176.870 0.053 0.000 1.162 344 L CA 0.652 55.511 54.840 0.032 0.000 0.834 344 L CB -0.737 41.344 42.059 0.036 0.000 0.947 344 L HN 0.488 nan 8.230 nan 0.000 0.452 345 A N 0.291 123.126 122.820 0.026 0.000 2.019 345 A HA -0.167 4.140 4.320 -0.022 0.000 0.219 345 A C 2.155 179.746 177.584 0.012 0.000 1.164 345 A CA 1.346 53.385 52.037 0.003 0.000 0.644 345 A CB -0.384 18.611 19.000 -0.009 0.000 0.805 345 A HN 0.371 nan 8.150 nan 0.000 0.449 346 I N 0.230 120.815 120.570 0.025 0.000 2.193 346 I HA -0.112 4.045 4.170 -0.022 0.000 0.240 346 I C -0.411 175.757 176.117 0.085 0.000 1.084 346 I CA 1.339 62.666 61.300 0.045 0.000 1.365 346 I CB -0.697 37.344 38.000 0.069 0.000 1.064 346 I HN 0.236 nan 8.210 nan 0.000 0.410 347 P HA -0.146 nan 4.420 nan 0.000 0.222 347 P C 1.270 178.626 177.300 0.094 0.000 1.153 347 P CA 1.380 64.541 63.100 0.102 0.000 0.798 347 P CB 0.102 31.883 31.700 0.135 0.000 0.796 348 E N 0.471 120.780 120.200 0.181 0.000 2.047 348 E HA -0.146 4.191 4.350 -0.022 0.000 0.191 348 E C 1.929 178.526 176.600 -0.006 0.000 0.987 348 E CA 0.706 57.224 56.400 0.198 0.000 0.799 348 E CB -1.283 28.549 29.700 0.220 0.000 0.752 348 E HN -0.023 nan 8.360 nan 0.000 0.449 349 L N 0.003 121.192 121.223 -0.057 0.000 2.079 349 L HA -0.105 4.222 4.340 -0.022 0.000 0.210 349 L C 2.072 178.804 176.870 -0.230 0.000 1.081 349 L CA 1.740 56.484 54.840 -0.161 0.000 0.752 349 L CB -0.526 41.444 42.059 -0.148 0.000 0.896 349 L HN 0.255 nan 8.230 nan 0.000 0.433 350 M N -0.880 118.610 119.600 -0.183 0.000 2.099 350 M HA -0.165 4.302 4.480 -0.022 0.000 0.262 350 M C 2.425 178.555 176.300 -0.283 0.000 1.067 350 M CA 1.475 56.606 55.300 -0.283 0.000 1.124 350 M CB -1.114 31.312 32.600 -0.291 0.000 1.353 350 M HN 0.316 nan 8.290 nan 0.000 0.410 351 R N -0.041 120.330 120.500 -0.215 0.000 2.096 351 R HA -0.154 4.173 4.340 -0.022 0.000 0.240 351 R C 2.026 178.222 176.300 -0.173 0.000 1.139 351 R CA 1.810 57.786 56.100 -0.208 0.000 0.952 351 R CB -0.262 29.875 30.300 -0.273 0.000 0.854 351 R HN 0.202 nan 8.270 nan 0.000 0.436 352 V N 1.283 121.093 119.914 -0.174 0.000 2.295 352 V HA -0.247 3.860 4.120 -0.022 0.000 0.246 352 V C 2.371 178.302 176.094 -0.271 0.000 1.049 352 V CA 1.741 63.930 62.300 -0.185 0.000 1.024 352 V CB -0.357 31.349 31.823 -0.195 0.000 0.648 352 V HN 0.354 nan 8.190 nan 0.000 0.447 353 L N -0.758 120.233 121.223 -0.387 0.000 2.093 353 L HA -0.105 4.222 4.340 -0.022 0.000 0.208 353 L C 2.310 178.995 176.870 -0.309 0.000 1.085 353 L CA 0.957 55.499 54.840 -0.495 0.000 0.755 353 L CB -0.493 41.208 42.059 -0.597 0.000 0.904 353 L HN 0.214 nan 8.230 nan 0.000 0.435 354 V N -0.765 119.005 119.914 -0.239 0.000 2.341 354 V HA -0.147 3.960 4.120 -0.022 0.000 0.240 354 V C 1.945 177.999 176.094 -0.066 0.000 1.035 354 V CA 1.506 63.729 62.300 -0.128 0.000 1.033 354 V CB -0.343 31.419 31.823 -0.101 0.000 0.678 354 V HN 0.317 nan 8.190 nan 0.000 0.464 355 D N 0.218 120.574 120.400 -0.072 0.000 2.149 355 D HA -0.039 4.588 4.640 -0.022 0.000 0.201 355 D C 2.046 178.324 176.300 -0.037 0.000 0.972 355 D CA 1.270 55.246 54.000 -0.040 0.000 0.835 355 D CB 0.028 40.800 40.800 -0.047 0.000 0.966 355 D HN 0.332 nan 8.370 nan 0.000 0.476 356 L N 0.226 121.413 121.223 -0.059 0.000 2.269 356 L HA 0.101 4.428 4.340 -0.022 0.000 0.200 356 L C 1.921 178.775 176.870 -0.026 0.000 1.069 356 L CA 0.484 55.301 54.840 -0.038 0.000 0.804 356 L CB -0.069 41.965 42.059 -0.041 0.000 0.987 356 L HN -0.191 nan 8.230 nan 0.000 0.468 357 E N 0.492 120.651 120.200 -0.067 0.000 2.481 357 E HA 0.005 4.342 4.350 -0.022 0.000 0.195 357 E C 0.007 176.603 176.600 -0.007 0.000 1.047 357 E CA -0.030 56.359 56.400 -0.018 0.000 0.867 357 E CB 0.211 29.833 29.700 -0.129 0.000 0.858 357 E HN 0.198 nan 8.360 nan 0.000 0.513 358 R N 0.384 120.864 120.500 -0.035 0.000 3.336 358 R HA -0.174 4.153 4.340 -0.022 0.000 0.260 358 R C -0.148 176.150 176.300 -0.003 0.000 1.032 358 R CA 0.439 56.535 56.100 -0.008 0.000 0.693 358 R CB -2.807 27.504 30.300 0.019 0.000 1.134 358 R HN 0.227 nan 8.270 nan 0.000 0.433 359 L N 0.676 121.870 121.223 -0.049 0.000 2.399 359 L HA 0.202 4.529 4.340 -0.022 0.000 0.266 359 L C 1.242 178.110 176.870 -0.002 0.000 1.114 359 L CA -0.548 54.272 54.840 -0.033 0.000 0.804 359 L CB 0.737 42.729 42.059 -0.111 0.000 1.146 359 L HN 0.161 nan 8.230 nan 0.000 0.451 360 D N 0.157 120.580 120.400 0.038 0.000 2.382 360 D HA -0.108 4.519 4.640 -0.022 0.000 0.240 360 D C 0.966 177.336 176.300 0.117 0.000 1.146 360 D CA -0.378 53.677 54.000 0.092 0.000 0.897 360 D CB 0.922 41.779 40.800 0.095 0.000 1.197 360 D HN 0.534 nan 8.370 nan 0.000 0.432 361 W N 2.557 123.863 121.300 0.009 0.000 2.301 361 W HA -0.270 4.377 4.660 -0.022 0.000 0.325 361 W C 0.998 177.563 176.519 0.075 0.000 1.250 361 W CA 1.994 59.351 57.345 0.020 0.000 1.261 361 W CB -0.441 29.012 29.460 -0.012 0.000 1.157 361 W HN 0.558 nan 8.180 nan 0.000 0.473 362 D N 0.184 120.798 120.400 0.357 0.000 2.133 362 D HA -0.226 4.401 4.640 -0.022 0.000 0.195 362 D C 1.864 178.269 176.300 0.174 0.000 0.997 362 D CA 2.149 56.325 54.000 0.293 0.000 0.840 362 D CB -0.427 40.509 40.800 0.228 0.000 0.947 362 D HN 0.146 nan 8.370 nan 0.000 0.452 363 K N 1.058 121.516 120.400 0.097 0.000 2.103 363 K HA 0.022 4.329 4.320 -0.022 0.000 0.204 363 K C 1.844 178.431 176.600 -0.022 0.000 1.052 363 K CA 1.275 57.590 56.287 0.046 0.000 0.945 363 K CB -0.314 32.211 32.500 0.042 0.000 0.722 363 K HN 0.002 nan 8.250 nan 0.000 0.443 364 A N 0.755 123.519 122.820 -0.093 0.000 1.877 364 A HA -0.176 4.131 4.320 -0.022 0.000 0.216 364 A C 2.239 179.728 177.584 -0.157 0.000 1.186 364 A CA 1.433 53.341 52.037 -0.215 0.000 0.620 364 A CB -1.307 17.485 19.000 -0.346 0.000 0.822 364 A HN 0.684 nan 8.150 nan 0.000 0.443 365 W N 0.665 121.752 121.300 -0.356 0.000 2.333 365 W HA -0.234 4.413 4.660 -0.021 0.000 0.316 365 W C 2.083 178.546 176.519 -0.094 0.000 1.215 365 W CA 2.049 59.248 57.345 -0.242 0.000 1.278 365 W CB -0.213 29.161 29.460 -0.143 0.000 1.154 365 W HN 0.624 nan 8.180 nan 0.000 0.486 366 E N 0.066 120.251 120.200 -0.024 0.000 2.048 366 E HA -0.284 4.053 4.350 -0.022 0.000 0.202 366 E C 1.990 178.500 176.600 -0.151 0.000 1.021 366 E CA 2.663 59.008 56.400 -0.091 0.000 0.825 366 E CB -0.523 29.182 29.700 0.010 0.000 0.756 366 E HN 0.061 nan 8.360 nan 0.000 0.454 367 V N 0.740 120.589 119.914 -0.110 0.000 2.332 367 V HA -0.301 3.806 4.120 -0.022 0.000 0.248 367 V C 2.412 178.433 176.094 -0.123 0.000 1.055 367 V CA 2.256 64.507 62.300 -0.082 0.000 1.038 367 V CB -0.863 30.898 31.823 -0.102 0.000 0.651 367 V HN 0.430 nan 8.190 nan 0.000 0.450 368 T N -0.096 114.311 114.554 -0.245 0.000 2.674 368 T HA -0.171 4.166 4.350 -0.022 0.000 0.265 368 T C 1.944 176.445 174.700 -0.332 0.000 1.039 368 T CA 1.761 63.687 62.100 -0.290 0.000 1.150 368 T CB -0.300 68.347 68.868 -0.369 0.000 0.864 368 T HN 0.292 nan 8.240 nan 0.000 0.427 369 V N 1.303 120.885 119.914 -0.553 0.000 2.343 369 V HA -0.152 3.955 4.120 -0.022 0.000 0.247 369 V C 2.325 178.377 176.094 -0.070 0.000 1.051 369 V CA 1.619 63.676 62.300 -0.405 0.000 1.036 369 V CB -0.491 31.025 31.823 -0.510 0.000 0.654 369 V HN 0.425 nan 8.190 nan 0.000 0.451 370 K N -0.512 119.825 120.400 -0.105 0.000 2.442 370 K HA -0.073 4.234 4.320 -0.022 0.000 0.198 370 K C 1.980 178.566 176.600 -0.024 0.000 1.042 370 K CA 1.381 57.598 56.287 -0.115 0.000 0.958 370 K CB -0.126 32.302 32.500 -0.121 0.000 0.766 370 K HN 0.479 nan 8.250 nan 0.000 0.474 371 T N -0.264 114.333 114.554 0.071 0.000 3.033 371 T HA 0.064 4.401 4.350 -0.022 0.000 0.248 371 T C 0.811 175.627 174.700 0.193 0.000 1.040 371 T CA 0.226 62.400 62.100 0.123 0.000 1.133 371 T CB 0.178 69.141 68.868 0.158 0.000 0.895 371 T HN 0.154 nan 8.240 nan 0.000 0.465 372 C N 2.068 121.460 119.300 0.153 0.000 2.382 372 C HA 0.913 5.360 4.460 -0.022 0.000 0.363 372 C C 0.522 175.538 174.990 0.044 0.000 1.213 372 C CA -1.145 57.936 59.018 0.105 0.000 2.363 372 C CB 0.419 28.166 27.740 0.012 0.000 2.397 372 C HN 0.603 nan 8.230 nan 0.000 0.573 373 A N 1.014 123.851 122.820 0.028 0.000 2.574 373 A HA 0.702 5.009 4.320 -0.022 0.000 0.297 373 A C -1.711 175.930 177.584 0.094 0.000 1.062 373 A CA -0.357 51.638 52.037 -0.071 0.000 0.686 373 A CB 1.032 19.989 19.000 -0.071 0.000 1.285 373 A HN 0.924 nan 8.150 nan 0.000 0.403 374 Y N 1.023 121.264 120.300 -0.098 0.000 2.393 374 Y HA 0.718 5.256 4.550 -0.021 0.000 0.341 374 Y C -0.470 175.422 175.900 -0.013 0.000 0.988 374 Y CA -0.598 57.470 58.100 -0.054 0.000 1.078 374 Y CB 2.087 40.480 38.460 -0.113 0.000 1.203 374 Y HN 0.567 nan 8.280 nan 0.000 0.453 375 T N 6.972 121.354 114.554 -0.287 0.000 2.770 375 T HA 0.244 4.581 4.350 -0.022 0.000 0.283 375 T C -0.794 173.454 174.700 -0.753 0.000 0.988 375 T CA -0.818 61.033 62.100 -0.414 0.000 0.957 375 T CB 0.342 69.199 68.868 -0.019 0.000 0.930 375 T HN 0.666 nan 8.240 nan 0.000 0.443 376 N N 1.656 119.907 118.700 -0.749 0.000 2.473 376 N HA 0.162 4.889 4.740 -0.022 0.000 0.291 376 N C 0.001 175.377 175.510 -0.223 0.000 1.083 376 N CA -0.345 52.489 53.050 -0.360 0.000 0.951 376 N CB 0.842 39.281 38.487 -0.080 0.000 1.164 376 N HN 0.684 nan 8.380 nan 0.000 0.480 377 H N 0.801 119.905 119.070 0.056 0.000 3.058 377 H HA 0.175 4.718 4.556 -0.022 0.000 0.266 377 H C -0.238 175.011 175.328 -0.130 0.000 1.135 377 H CA -0.081 55.939 56.048 -0.046 0.000 1.174 377 H CB 1.176 30.927 29.762 -0.018 0.000 1.581 377 H HN 0.503 nan 8.280 nan 0.000 0.553 378 T N -0.338 114.258 114.554 0.070 0.000 2.830 378 T HA 0.231 4.568 4.350 -0.022 0.000 0.322 378 T C -0.126 174.612 174.700 0.064 0.000 1.501 378 T CA -0.366 61.731 62.100 -0.005 0.000 1.036 378 T CB 1.903 70.760 68.868 -0.017 0.000 1.379 378 T HN -0.113 nan 8.240 nan 0.000 0.493 379 V N 2.980 122.890 119.914 -0.008 0.000 3.645 379 V HA 0.451 4.558 4.120 -0.022 0.000 0.275 379 V C 0.704 176.767 176.094 -0.052 0.000 1.356 379 V CA 0.013 62.292 62.300 -0.035 0.000 1.051 379 V CB 0.022 31.827 31.823 -0.029 0.000 0.828 379 V HN 0.701 nan 8.190 nan 0.000 0.441 380 L N 3.100 124.284 121.223 -0.064 0.000 2.513 380 L HA 0.118 4.445 4.340 -0.022 0.000 0.272 380 L C -0.700 176.178 176.870 0.013 0.000 1.187 380 L CA -0.850 53.975 54.840 -0.026 0.000 0.895 380 L CB 0.237 42.263 42.059 -0.056 0.000 1.147 380 L HN 0.145 nan 8.230 nan 0.000 0.483 381 P HA -0.212 nan 4.420 nan 0.000 0.216 381 P C 0.784 178.109 177.300 0.042 0.000 1.150 381 P CA 1.303 64.418 63.100 0.024 0.000 0.843 381 P CB 0.045 31.762 31.700 0.027 0.000 0.787 382 E N -0.261 120.001 120.200 0.102 0.000 2.512 382 E HA 0.073 4.410 4.350 -0.022 0.000 0.195 382 E C 1.392 178.074 176.600 0.137 0.000 1.083 382 E CA 0.614 57.108 56.400 0.155 0.000 0.873 382 E CB -0.651 29.233 29.700 0.306 0.000 0.897 382 E HN 0.257 nan 8.360 nan 0.000 0.514 383 A N 0.769 123.649 122.820 0.099 0.000 2.167 383 A HA 0.244 4.551 4.320 -0.022 0.000 0.208 383 A C 1.113 178.717 177.584 0.034 0.000 1.198 383 A CA -0.331 51.770 52.037 0.108 0.000 0.863 383 A CB 0.261 19.334 19.000 0.122 0.000 0.904 383 A HN 0.136 nan 8.150 nan 0.000 0.484 384 L N 1.961 123.158 121.223 -0.044 0.000 2.367 384 L HA 0.155 4.482 4.340 -0.022 0.000 0.275 384 L C -0.272 176.299 176.870 -0.499 0.000 1.129 384 L CA 0.062 54.810 54.840 -0.153 0.000 0.839 384 L CB 0.652 42.653 42.059 -0.097 0.000 1.133 384 L HN 0.411 nan 8.230 nan 0.000 0.453 385 E N 4.852 124.659 120.200 -0.655 0.000 2.223 385 E HA 0.215 4.552 4.350 -0.022 0.000 0.282 385 E C -0.609 175.320 176.600 -1.118 0.000 1.046 385 E CA -0.290 55.267 56.400 -1.405 0.000 0.857 385 E CB 0.665 29.887 29.700 -0.796 0.000 1.055 385 E HN 0.408 nan 8.360 nan 0.000 0.409 386 R N 4.054 123.699 120.500 -1.425 0.000 2.472 386 R HA 0.202 4.529 4.340 -0.022 0.000 0.294 386 R C -1.194 174.845 176.300 -0.436 0.000 1.243 386 R CA -0.588 55.138 56.100 -0.624 0.000 1.023 386 R CB 0.622 30.712 30.300 -0.350 0.000 1.157 386 R HN 0.456 nan 8.270 nan 0.000 0.530 387 W N 4.040 125.263 121.300 -0.128 0.000 2.311 387 W HA 0.270 4.917 4.660 -0.022 0.000 0.310 387 W C -1.941 174.555 176.519 -0.038 0.000 1.274 387 W CA -2.126 55.220 57.345 0.001 0.000 1.215 387 W CB 0.647 30.086 29.460 -0.036 0.000 1.227 387 W HN 0.254 nan 8.180 nan 0.000 0.523 388 P HA -0.109 nan 4.420 nan 0.000 0.265 388 P C 0.892 178.185 177.300 -0.011 0.000 1.193 388 P CA 0.146 63.291 63.100 0.076 0.000 0.765 388 P CB 0.718 32.428 31.700 0.016 0.000 0.823 389 V N 2.243 122.183 119.914 0.044 0.000 2.407 389 V HA -0.288 3.819 4.120 -0.022 0.000 0.248 389 V C 2.003 178.102 176.094 0.008 0.000 1.055 389 V CA 2.296 64.610 62.300 0.023 0.000 1.049 389 V CB -2.116 29.771 31.823 0.105 0.000 0.662 389 V HN 0.668 nan 8.190 nan 0.000 0.455 390 H N 0.020 119.143 119.070 0.088 0.000 2.457 390 H HA -0.106 4.437 4.556 -0.022 0.000 0.297 390 H C 1.802 177.174 175.328 0.074 0.000 1.092 390 H CA 2.163 58.259 56.048 0.080 0.000 1.309 390 H CB -0.561 29.250 29.762 0.081 0.000 1.382 390 H HN 0.446 nan 8.280 nan 0.000 0.535 391 L N -0.103 120.762 121.223 -0.598 0.000 2.131 391 L HA 0.113 4.440 4.340 -0.022 0.000 0.206 391 L C 2.157 178.926 176.870 -0.167 0.000 1.087 391 L CA 1.091 55.724 54.840 -0.344 0.000 0.767 391 L CB -0.492 41.368 42.059 -0.331 0.000 0.917 391 L HN 0.425 nan 8.230 nan 0.000 0.441 392 L N -0.580 120.546 121.223 -0.162 0.000 2.131 392 L HA -0.144 4.183 4.340 -0.022 0.000 0.206 392 L C 2.510 179.306 176.870 -0.124 0.000 1.087 392 L CA 1.226 55.962 54.840 -0.173 0.000 0.767 392 L CB -0.437 41.518 42.059 -0.173 0.000 0.917 392 L HN 0.409 nan 8.230 nan 0.000 0.441 393 E N -0.705 119.463 120.200 -0.054 0.000 2.106 393 E HA -0.235 4.102 4.350 -0.022 0.000 0.192 393 E C 1.975 178.598 176.600 0.038 0.000 0.984 393 E CA 1.764 58.159 56.400 -0.007 0.000 0.806 393 E CB -0.503 29.231 29.700 0.056 0.000 0.750 393 E HN 0.413 nan 8.360 nan 0.000 0.458 394 T N -0.511 114.093 114.554 0.084 0.000 3.014 394 T HA -0.016 4.321 4.350 -0.022 0.000 0.263 394 T C 1.809 176.626 174.700 0.194 0.000 1.078 394 T CA 0.530 62.735 62.100 0.175 0.000 1.135 394 T CB -0.011 68.995 68.868 0.229 0.000 0.895 394 T HN 0.153 nan 8.240 nan 0.000 0.480 395 L N -0.077 121.146 121.223 0.000 0.000 2.168 395 L HA 0.528 4.855 4.340 -0.022 0.000 0.203 395 L C 0.549 177.341 176.870 -0.129 0.000 1.078 395 L CA 1.318 56.023 54.840 -0.226 0.000 0.780 395 L CB 0.160 42.036 42.059 -0.305 0.000 0.939 395 L HN 0.303 nan 8.230 nan 0.000 0.451 396 L N 0.522 121.639 121.223 -0.175 0.000 2.625 396 L HA 0.302 4.629 4.340 -0.022 0.000 0.255 396 L C -1.724 174.962 176.870 -0.306 0.000 1.493 396 L CA -1.089 53.574 54.840 -0.295 0.000 0.796 396 L CB 0.812 42.570 42.059 -0.502 0.000 1.064 396 L HN -0.079 nan 8.230 nan 0.000 0.516 397 P HA -0.259 nan 4.420 nan 0.000 0.215 397 P C 1.504 178.604 177.300 -0.333 0.000 1.163 397 P CA 1.355 64.325 63.100 -0.217 0.000 0.894 397 P CB 0.324 31.958 31.700 -0.110 0.000 0.791 398 R N -0.429 119.698 120.500 -0.621 0.000 2.127 398 R HA -0.171 4.156 4.340 -0.022 0.000 0.238 398 R C 2.299 178.275 176.300 -0.539 0.000 1.134 398 R CA 1.722 57.454 56.100 -0.613 0.000 0.975 398 R CB -1.678 28.077 30.300 -0.908 0.000 0.865 398 R HN 0.337 nan 8.270 nan 0.000 0.447 399 H N -1.177 117.594 119.070 -0.498 0.000 2.462 399 H HA -0.003 4.540 4.556 -0.022 0.000 0.292 399 H C 1.453 176.610 175.328 -0.285 0.000 1.049 399 H CA 1.273 57.109 56.048 -0.354 0.000 1.334 399 H CB 0.001 29.521 29.762 -0.403 0.000 1.404 399 H HN 0.112 nan 8.280 nan 0.000 0.544 400 L N 0.639 121.736 121.223 -0.211 0.000 2.109 400 L HA -0.117 4.210 4.340 -0.022 0.000 0.207 400 L C 1.841 178.518 176.870 -0.322 0.000 1.086 400 L CA 1.531 56.180 54.840 -0.317 0.000 0.760 400 L CB -0.371 41.514 42.059 -0.290 0.000 0.910 400 L HN 0.214 nan 8.230 nan 0.000 0.437 401 Q N -0.559 119.150 119.800 -0.152 0.000 2.046 401 Q HA -0.161 4.166 4.340 -0.022 0.000 0.200 401 Q C 2.293 178.298 176.000 0.008 0.000 0.975 401 Q CA 2.016 57.814 55.803 -0.009 0.000 0.836 401 Q CB -0.174 28.564 28.738 0.001 0.000 0.896 401 Q HN 0.552 nan 8.270 nan 0.000 0.428 402 I N 0.402 120.960 120.570 -0.020 0.000 2.286 402 I HA -0.272 3.885 4.170 -0.022 0.000 0.248 402 I C 2.107 178.288 176.117 0.105 0.000 1.115 402 I CA 0.997 62.367 61.300 0.117 0.000 1.392 402 I CB -0.128 37.895 38.000 0.039 0.000 1.065 402 I HN 0.221 nan 8.210 nan 0.000 0.418 403 I N -0.554 120.003 120.570 -0.022 0.000 2.252 403 I HA -0.302 3.855 4.170 -0.022 0.000 0.245 403 I C 2.397 178.521 176.117 0.011 0.000 1.102 403 I CA 1.335 62.608 61.300 -0.045 0.000 1.385 403 I CB -0.302 37.607 38.000 -0.151 0.000 1.064 403 I HN 0.140 nan 8.210 nan 0.000 0.414 404 Y N 0.863 121.155 120.300 -0.013 0.000 2.181 404 Y HA -0.269 4.268 4.550 -0.022 0.000 0.288 404 Y C 2.586 178.443 175.900 -0.072 0.000 1.146 404 Y CA 1.429 59.511 58.100 -0.031 0.000 1.164 404 Y CB -0.775 37.661 38.460 -0.039 0.000 0.982 404 Y HN 0.169 nan 8.280 nan 0.000 0.515 405 E N 0.433 120.662 120.200 0.047 0.000 2.077 405 E HA -0.160 4.177 4.350 -0.022 0.000 0.193 405 E C 2.107 178.609 176.600 -0.163 0.000 0.989 405 E CA 1.364 57.654 56.400 -0.182 0.000 0.800 405 E CB -0.575 28.849 29.700 -0.459 0.000 0.746 405 E HN 0.483 nan 8.360 nan 0.000 0.452 406 I N 0.603 121.157 120.570 -0.026 0.000 2.226 406 I HA -0.279 3.878 4.170 -0.022 0.000 0.245 406 I C 2.232 178.338 176.117 -0.018 0.000 1.100 406 I CA 1.266 62.502 61.300 -0.106 0.000 1.374 406 I CB -0.362 37.549 38.000 -0.148 0.000 1.057 406 I HN 0.198 nan 8.210 nan 0.000 0.413 407 N N 0.704 119.441 118.700 0.061 0.000 2.058 407 N HA -0.274 4.453 4.740 -0.022 0.000 0.191 407 N C 1.848 177.444 175.510 0.145 0.000 1.037 407 N CA 1.580 54.723 53.050 0.154 0.000 0.848 407 N CB -0.160 38.438 38.487 0.184 0.000 1.021 407 N HN 0.176 nan 8.380 nan 0.000 0.422 408 Q N 0.805 120.634 119.800 0.049 0.000 2.061 408 Q HA -0.041 4.286 4.340 -0.022 0.000 0.204 408 Q C 1.980 177.971 176.000 -0.015 0.000 0.984 408 Q CA 1.729 57.528 55.803 -0.006 0.000 0.846 408 Q CB -0.224 28.468 28.738 -0.076 0.000 0.902 408 Q HN 0.368 nan 8.270 nan 0.000 0.421 409 R N -1.227 119.244 120.500 -0.049 0.000 2.092 409 R HA -0.070 4.257 4.340 -0.022 0.000 0.231 409 R C 2.125 178.458 176.300 0.055 0.000 1.119 409 R CA 1.221 57.292 56.100 -0.047 0.000 0.970 409 R CB -0.416 29.808 30.300 -0.127 0.000 0.864 409 R HN 0.306 nan 8.270 nan 0.000 0.440 410 F N 1.208 121.145 119.950 -0.023 0.000 2.128 410 F HA -0.071 4.443 4.527 -0.022 0.000 0.295 410 F C 1.778 177.617 175.800 0.065 0.000 1.100 410 F CA 1.277 59.313 58.000 0.060 0.000 1.260 410 F CB -0.110 38.952 39.000 0.105 0.000 1.009 410 F HN -0.117 nan 8.300 nan 0.000 0.476 411 L N 0.102 121.364 121.223 0.065 0.000 2.141 411 L HA -0.232 4.095 4.340 -0.022 0.000 0.209 411 L C 1.992 178.807 176.870 -0.092 0.000 1.094 411 L CA 1.585 56.400 54.840 -0.042 0.000 0.763 411 L CB -0.920 41.176 42.059 0.062 0.000 0.908 411 L HN 0.254 nan 8.230 nan 0.000 0.437 412 N N -0.242 118.421 118.700 -0.062 0.000 2.223 412 N HA -0.172 4.555 4.740 -0.022 0.000 0.185 412 N C 1.893 177.353 175.510 -0.082 0.000 1.016 412 N CA 0.793 53.807 53.050 -0.061 0.000 0.863 412 N CB 0.024 38.481 38.487 -0.050 0.000 0.983 412 N HN 0.311 nan 8.380 nan 0.000 0.429 413 R N 0.378 120.804 120.500 -0.124 0.000 2.090 413 R HA 0.002 4.329 4.340 -0.022 0.000 0.228 413 R C 2.132 178.334 176.300 -0.163 0.000 1.110 413 R CA 0.658 56.678 56.100 -0.134 0.000 0.973 413 R CB -0.189 30.030 30.300 -0.136 0.000 0.869 413 R HN 0.085 nan 8.270 nan 0.000 0.440 414 V N 1.067 120.841 119.914 -0.234 0.000 2.307 414 V HA -0.212 3.895 4.120 -0.022 0.000 0.245 414 V C 2.458 178.566 176.094 0.023 0.000 1.045 414 V CA 1.953 64.190 62.300 -0.105 0.000 1.024 414 V CB -0.666 31.040 31.823 -0.196 0.000 0.651 414 V HN 0.371 nan 8.190 nan 0.000 0.449 415 A N 0.043 122.845 122.820 -0.029 0.000 1.940 415 A HA -0.168 4.139 4.320 -0.022 0.000 0.219 415 A C 2.365 179.937 177.584 -0.021 0.000 1.176 415 A CA 2.223 54.258 52.037 -0.004 0.000 0.631 415 A CB -0.715 18.270 19.000 -0.024 0.000 0.814 415 A HN 0.592 nan 8.150 nan 0.000 0.446 416 A N -0.743 122.042 122.820 -0.057 0.000 2.014 416 A HA 0.321 4.628 4.320 -0.022 0.000 0.218 416 A C 2.279 179.778 177.584 -0.142 0.000 1.163 416 A CA 1.641 53.629 52.037 -0.080 0.000 0.652 416 A CB -0.589 18.366 19.000 -0.075 0.000 0.808 416 A HN 1.025 nan 8.150 nan 0.000 0.449 417 A N -2.058 120.636 122.820 -0.211 0.000 2.178 417 A HA 0.476 4.783 4.320 -0.022 0.000 0.211 417 A C 0.198 177.263 177.584 -0.865 0.000 1.157 417 A CA 0.300 52.033 52.037 -0.505 0.000 0.780 417 A CB -0.083 18.570 19.000 -0.579 0.000 0.828 417 A HN 0.398 nan 8.150 nan 0.000 0.476 418 F N -0.219 119.688 119.950 -0.072 0.000 2.794 418 F HA 0.320 4.834 4.527 -0.022 0.000 0.353 418 F C -2.859 172.907 175.800 -0.056 0.000 1.371 418 F CA -2.616 55.346 58.000 -0.064 0.000 1.173 418 F CB 0.831 39.786 39.000 -0.076 0.000 1.693 418 F HN -0.102 nan 8.300 nan 0.000 0.606 419 P HA 0.191 nan 4.420 nan 0.000 0.265 419 P C 1.033 178.356 177.300 0.039 0.000 1.193 419 P CA 1.191 64.307 63.100 0.027 0.000 0.765 419 P CB 0.869 32.566 31.700 -0.006 0.000 0.823 420 G N 2.578 111.393 108.800 0.025 0.000 2.234 420 G HA2 -0.255 3.692 3.960 -0.022 0.000 0.260 420 G HA3 -0.255 3.692 3.960 -0.022 0.000 0.260 420 G C 0.465 175.375 174.900 0.017 0.000 0.987 420 G CA 0.134 45.244 45.100 0.017 0.000 0.625 420 G HN 0.602 nan 8.290 nan 0.000 0.532 421 D N 1.536 121.956 120.400 0.032 0.000 2.688 421 D HA 0.345 4.972 4.640 -0.022 0.000 0.228 421 D C 2.215 178.505 176.300 -0.018 0.000 1.116 421 D CA 0.450 54.452 54.000 0.003 0.000 1.023 421 D CB 0.125 40.924 40.800 -0.001 0.000 1.100 421 D HN 0.645 nan 8.370 nan 0.000 0.487 422 V N -0.394 119.512 119.914 -0.013 0.000 2.594 422 V HA -0.161 3.946 4.120 -0.022 0.000 0.253 422 V C 1.783 177.864 176.094 -0.023 0.000 1.069 422 V CA 1.422 63.713 62.300 -0.014 0.000 1.082 422 V CB -0.206 31.612 31.823 -0.008 0.000 0.680 422 V HN 0.234 nan 8.190 nan 0.000 0.469 423 D N 0.696 121.078 120.400 -0.031 0.000 2.144 423 D HA -0.219 4.408 4.640 -0.022 0.000 0.199 423 D C 2.358 178.625 176.300 -0.056 0.000 0.984 423 D CA 1.714 55.693 54.000 -0.034 0.000 0.834 423 D CB -0.064 40.715 40.800 -0.036 0.000 0.955 423 D HN 0.555 nan 8.370 nan 0.000 0.465 424 R N 0.342 120.783 120.500 -0.099 0.000 2.148 424 R HA -0.061 4.266 4.340 -0.022 0.000 0.227 424 R C 2.535 178.761 176.300 -0.123 0.000 1.103 424 R CA 0.437 56.440 56.100 -0.163 0.000 0.983 424 R CB -0.129 29.998 30.300 -0.289 0.000 0.874 424 R HN 0.204 nan 8.270 nan 0.000 0.451 425 L N 0.252 121.434 121.223 -0.068 0.000 2.056 425 L HA -0.130 4.197 4.340 -0.022 0.000 0.207 425 L C 2.885 179.764 176.870 0.014 0.000 1.078 425 L CA 1.435 56.259 54.840 -0.026 0.000 0.749 425 L CB -0.498 41.555 42.059 -0.010 0.000 0.901 425 L HN 0.243 nan 8.230 nan 0.000 0.433 426 R N 0.422 120.930 120.500 0.014 0.000 2.115 426 R HA -0.121 4.206 4.340 -0.022 0.000 0.230 426 R C 2.350 178.694 176.300 0.073 0.000 1.111 426 R CA 1.125 57.252 56.100 0.045 0.000 0.976 426 R CB 0.006 30.324 30.300 0.031 0.000 0.870 426 R HN 0.308 nan 8.270 nan 0.000 0.445 427 R N -0.492 120.030 120.500 0.037 0.000 2.119 427 R HA 0.044 4.370 4.340 -0.022 0.000 0.222 427 R C 2.019 178.377 176.300 0.096 0.000 1.088 427 R CA 1.279 57.418 56.100 0.066 0.000 0.984 427 R CB 0.011 30.308 30.300 -0.006 0.000 0.884 427 R HN 0.270 nan 8.270 nan 0.000 0.447 428 M N 0.106 119.692 119.600 -0.025 0.000 2.509 428 M HA 0.055 4.522 4.480 -0.022 0.000 0.250 428 M C 0.756 177.216 176.300 0.267 0.000 1.132 428 M CA -0.024 55.211 55.300 -0.109 0.000 1.080 428 M CB 0.604 32.979 32.600 -0.375 0.000 1.408 428 M HN -0.087 nan 8.290 nan 0.000 0.484 429 S N 0.729 116.593 115.700 0.272 0.000 2.558 429 S HA -0.011 4.446 4.470 -0.022 0.000 0.291 429 S C 0.951 175.798 174.600 0.413 0.000 1.306 429 S CA -0.296 58.089 58.200 0.309 0.000 1.056 429 S CB 0.568 63.891 63.200 0.206 0.000 0.836 429 S HN 0.242 nan 8.310 nan 0.000 0.504 430 L N 5.116 126.527 121.223 0.312 0.000 2.395 430 L HA 0.192 4.519 4.340 -0.022 0.000 0.218 430 L C 0.296 177.260 176.870 0.155 0.000 1.130 430 L CA 0.739 55.717 54.840 0.229 0.000 0.826 430 L CB -0.403 41.731 42.059 0.124 0.000 0.941 430 L HN 0.472 nan 8.230 nan 0.000 0.451 431 V N -0.063 119.963 119.914 0.186 0.000 2.394 431 V HA 0.252 4.359 4.120 -0.022 0.000 0.282 431 V C 0.055 176.229 176.094 0.134 0.000 1.031 431 V CA -0.979 61.419 62.300 0.165 0.000 0.881 431 V CB 1.401 33.359 31.823 0.226 0.000 0.982 431 V HN 0.151 nan 8.190 nan 0.000 0.451 432 E N 3.836 124.094 120.200 0.096 0.000 2.156 432 E HA 0.423 4.760 4.350 -0.022 0.000 0.279 432 E C -0.797 175.851 176.600 0.079 0.000 0.965 432 E CA -0.693 55.754 56.400 0.078 0.000 0.789 432 E CB 1.879 31.605 29.700 0.043 0.000 1.098 432 E HN 0.583 nan 8.360 nan 0.000 0.397 433 E N 1.164 121.407 120.200 0.072 0.000 2.280 433 E HA 0.643 4.980 4.350 -0.022 0.000 0.264 433 E C 0.314 176.947 176.600 0.055 0.000 1.064 433 E CA -0.544 55.894 56.400 0.063 0.000 0.900 433 E CB 1.811 31.541 29.700 0.052 0.000 1.123 433 E HN 0.751 nan 8.360 nan 0.000 0.418 434 G N -0.780 108.052 108.800 0.053 0.000 2.356 434 G HA2 0.228 4.175 3.960 -0.022 0.000 0.288 434 G HA3 0.228 4.175 3.960 -0.022 0.000 0.288 434 G C 0.293 175.223 174.900 0.051 0.000 1.302 434 G CA -0.078 45.050 45.100 0.048 0.000 0.887 434 G HN 0.412 nan 8.290 nan 0.000 0.521 435 A N -1.178 121.670 122.820 0.046 0.000 1.917 435 A HA 0.269 4.576 4.320 -0.022 0.000 0.219 435 A C 1.281 178.902 177.584 0.062 0.000 1.182 435 A CA 2.457 54.521 52.037 0.046 0.000 0.633 435 A CB -0.498 18.526 19.000 0.040 0.000 0.819 435 A HN 1.547 nan 8.150 nan 0.000 0.448 436 V N 0.793 120.751 119.914 0.074 0.000 2.313 436 V HA 0.252 4.359 4.120 -0.022 0.000 0.278 436 V C -0.005 176.153 176.094 0.106 0.000 1.017 436 V CA -0.764 61.599 62.300 0.104 0.000 0.823 436 V CB 0.909 32.800 31.823 0.114 0.000 1.010 436 V HN 0.400 nan 8.190 nan 0.000 0.443 437 K N 4.361 124.833 120.400 0.120 0.000 2.401 437 K HA 0.404 4.711 4.320 -0.022 0.000 0.278 437 K C 0.015 176.685 176.600 0.116 0.000 1.018 437 K CA 0.285 56.643 56.287 0.118 0.000 0.981 437 K CB 0.498 33.082 32.500 0.141 0.000 0.933 437 K HN 0.638 nan 8.250 nan 0.000 0.477 438 R N 2.859 123.414 120.500 0.092 0.000 2.740 438 R HA 0.443 4.770 4.340 -0.022 0.000 0.273 438 R C -0.992 175.335 176.300 0.046 0.000 0.998 438 R CA -1.014 55.125 56.100 0.065 0.000 0.900 438 R CB 1.283 31.600 30.300 0.029 0.000 1.223 438 R HN 0.401 nan 8.270 nan 0.000 0.466 439 I N 2.239 122.828 120.570 0.031 0.000 2.312 439 I HA 0.140 4.297 4.170 -0.022 0.000 0.290 439 I C -0.091 175.989 176.117 -0.063 0.000 1.008 439 I CA -0.740 60.562 61.300 0.005 0.000 1.226 439 I CB 1.048 39.052 38.000 0.007 0.000 1.371 439 I HN 0.485 nan 8.210 nan 0.000 0.468 440 N N 7.346 125.978 118.700 -0.113 0.000 2.415 440 N HA 0.068 4.795 4.740 -0.022 0.000 0.250 440 N C 0.891 176.276 175.510 -0.209 0.000 1.127 440 N CA -0.282 52.617 53.050 -0.252 0.000 0.945 440 N CB 0.850 39.039 38.487 -0.496 0.000 1.196 440 N HN 0.366 nan 8.380 nan 0.000 0.499 441 M N 2.314 121.801 119.600 -0.189 0.000 2.279 441 M HA -0.089 4.378 4.480 -0.022 0.000 0.264 441 M C 1.862 178.014 176.300 -0.247 0.000 1.062 441 M CA 0.755 55.965 55.300 -0.150 0.000 1.099 441 M CB -1.506 31.048 32.600 -0.076 0.000 1.394 441 M HN 0.607 nan 8.290 nan 0.000 0.426 442 A N -0.667 122.002 122.820 -0.251 0.000 1.898 442 A HA -0.158 4.149 4.320 -0.022 0.000 0.216 442 A C 1.977 179.331 177.584 -0.384 0.000 1.181 442 A CA 1.351 53.206 52.037 -0.303 0.000 0.620 442 A CB -1.069 17.969 19.000 0.063 0.000 0.819 442 A HN 0.591 nan 8.150 nan 0.000 0.442 443 H N -1.422 117.410 119.070 -0.397 0.000 2.387 443 H HA -0.105 4.438 4.556 -0.022 0.000 0.299 443 H C 2.095 177.146 175.328 -0.462 0.000 1.090 443 H CA 1.094 56.832 56.048 -0.518 0.000 1.332 443 H CB -0.010 29.674 29.762 -0.131 0.000 1.386 443 H HN 0.438 nan 8.280 nan 0.000 0.516 444 L N 0.643 121.755 121.223 -0.185 0.000 2.017 444 L HA -0.171 4.156 4.340 -0.022 0.000 0.208 444 L C 2.308 179.040 176.870 -0.230 0.000 1.073 444 L CA 1.467 56.207 54.840 -0.166 0.000 0.745 444 L CB -0.839 41.158 42.059 -0.103 0.000 0.894 444 L HN 0.282 nan 8.230 nan 0.000 0.432 445 C N -0.285 118.787 119.300 -0.380 0.000 2.413 445 C HA -0.149 4.298 4.460 -0.022 0.000 0.276 445 C C 2.735 177.495 174.990 -0.383 0.000 1.248 445 C CA 1.089 59.820 59.018 -0.478 0.000 1.742 445 C CB -0.931 26.158 27.740 -1.084 0.000 2.017 445 C HN 0.621 nan 8.230 nan 0.000 0.481 446 I N 1.217 121.497 120.570 -0.485 0.000 2.226 446 I HA -0.209 3.948 4.170 -0.022 0.000 0.245 446 I C 2.739 178.701 176.117 -0.259 0.000 1.100 446 I CA 1.619 62.662 61.300 -0.428 0.000 1.374 446 I CB -0.572 36.976 38.000 -0.754 0.000 1.057 446 I HN 0.288 nan 8.210 nan 0.000 0.413 447 A N 0.657 123.289 122.820 -0.314 0.000 1.877 447 A HA -0.100 4.207 4.320 -0.022 0.000 0.216 447 A C 2.221 179.911 177.584 0.178 0.000 1.186 447 A CA 1.882 53.810 52.037 -0.181 0.000 0.620 447 A CB -1.204 17.485 19.000 -0.518 0.000 0.822 447 A HN 0.468 nan 8.150 nan 0.000 0.443 448 G N -0.998 107.860 108.800 0.097 0.000 3.314 448 G HA2 0.405 4.352 3.960 -0.022 0.000 0.238 448 G HA3 0.405 4.352 3.960 -0.022 0.000 0.238 448 G C 0.083 174.850 174.900 -0.223 0.000 1.184 448 G CA 0.435 45.474 45.100 -0.101 0.000 0.806 448 G HN 0.337 nan 8.290 nan 0.000 0.536 449 S N -0.225 115.392 115.700 -0.139 0.000 2.503 449 S HA 0.305 4.762 4.470 -0.022 0.000 0.301 449 S C 0.796 175.343 174.600 -0.088 0.000 1.087 449 S CA -0.712 57.415 58.200 -0.123 0.000 1.042 449 S CB 1.186 64.317 63.200 -0.116 0.000 1.043 449 S HN 0.536 nan 8.310 nan 0.000 0.489 450 H N 0.147 119.181 119.070 -0.060 0.000 2.548 450 H HA 0.507 5.049 4.556 -0.022 0.000 0.265 450 H C 0.093 175.411 175.328 -0.018 0.000 0.969 450 H CA 0.217 56.254 56.048 -0.018 0.000 1.155 450 H CB 0.192 29.951 29.762 -0.006 0.000 1.394 450 H HN 0.505 nan 8.280 nan 0.000 0.570 451 A N 0.999 123.555 122.820 -0.441 0.000 2.488 451 A HA 0.530 4.837 4.320 -0.022 0.000 0.295 451 A C -1.436 175.953 177.584 -0.325 0.000 1.045 451 A CA -0.574 51.249 52.037 -0.356 0.000 0.703 451 A CB 2.017 20.795 19.000 -0.370 0.000 1.271 451 A HN 0.095 nan 8.150 nan 0.000 0.400 452 V N 3.912 123.590 119.914 -0.393 0.000 2.604 452 V HA 0.646 4.753 4.120 -0.022 0.000 0.305 452 V C -0.585 175.336 176.094 -0.289 0.000 1.043 452 V CA -0.712 61.362 62.300 -0.375 0.000 0.888 452 V CB 1.889 33.342 31.823 -0.617 0.000 0.995 452 V HN 1.024 nan 8.190 nan 0.000 0.429 453 N N 2.638 121.188 118.700 -0.250 0.000 2.277 453 N HA 0.530 5.257 4.740 -0.022 0.000 0.286 453 N C -0.380 175.041 175.510 -0.149 0.000 1.140 453 N CA -0.392 52.552 53.050 -0.177 0.000 0.799 453 N CB 2.745 41.099 38.487 -0.223 0.000 1.596 453 N HN 0.681 nan 8.380 nan 0.000 0.473 454 G N -0.573 108.179 108.800 -0.081 0.000 2.528 454 G HA2 0.408 4.354 3.960 -0.022 0.000 0.289 454 G HA3 0.408 4.354 3.960 -0.022 0.000 0.289 454 G C 0.838 175.805 174.900 0.111 0.000 1.192 454 G CA -0.523 44.594 45.100 0.028 0.000 0.921 454 G HN 0.667 nan 8.290 nan 0.000 0.512 455 V N -3.125 116.945 119.914 0.259 0.000 3.376 455 V HA 0.689 4.796 4.120 -0.022 0.000 0.313 455 V C 0.558 176.727 176.094 0.126 0.000 1.393 455 V CA 0.257 62.632 62.300 0.124 0.000 1.125 455 V CB -0.918 30.930 31.823 0.042 0.000 1.037 455 V HN 1.361 nan 8.190 nan 0.000 0.440 456 A N -0.322 122.585 122.820 0.146 0.000 2.594 456 A HA 0.623 4.930 4.320 -0.022 0.000 0.296 456 A C 0.583 178.221 177.584 0.089 0.000 1.056 456 A CA -0.195 51.909 52.037 0.112 0.000 0.693 456 A CB 1.114 20.169 19.000 0.093 0.000 1.278 456 A HN 0.048 nan 8.150 nan 0.000 0.408 457 R N 0.946 121.478 120.500 0.053 0.000 2.113 457 R HA -0.182 4.145 4.340 -0.022 0.000 0.244 457 R C 1.784 178.086 176.300 0.003 0.000 1.142 457 R CA 2.381 58.490 56.100 0.014 0.000 0.953 457 R CB -0.240 30.063 30.300 0.006 0.000 0.860 457 R HN 0.818 nan 8.270 nan 0.000 0.438 458 I N 0.060 120.641 120.570 0.018 0.000 2.286 458 I HA -0.306 3.851 4.170 -0.022 0.000 0.248 458 I C 2.439 178.567 176.117 0.018 0.000 1.115 458 I CA 1.539 62.841 61.300 0.004 0.000 1.392 458 I CB -0.276 37.726 38.000 0.003 0.000 1.065 458 I HN 0.383 nan 8.210 nan 0.000 0.418 459 H N -0.127 118.914 119.070 -0.049 0.000 2.357 459 H HA -0.129 4.414 4.556 -0.022 0.000 0.301 459 H C 2.214 177.500 175.328 -0.071 0.000 1.082 459 H CA 1.678 57.689 56.048 -0.062 0.000 1.342 459 H CB 0.228 29.960 29.762 -0.050 0.000 1.389 459 H HN 0.297 nan 8.280 nan 0.000 0.511 460 S N 0.378 115.984 115.700 -0.157 0.000 2.419 460 S HA -0.087 4.370 4.470 -0.022 0.000 0.233 460 S C 1.848 176.327 174.600 -0.202 0.000 1.016 460 S CA 0.851 58.928 58.200 -0.205 0.000 0.974 460 S CB 0.036 63.183 63.200 -0.089 0.000 0.786 460 S HN 0.457 nan 8.310 nan 0.000 0.492 461 E N 1.152 121.253 120.200 -0.166 0.000 2.076 461 E HA 0.097 4.434 4.350 -0.022 0.000 0.190 461 E C 1.994 178.473 176.600 -0.202 0.000 0.979 461 E CA 0.450 56.741 56.400 -0.181 0.000 0.807 461 E CB -0.302 29.326 29.700 -0.121 0.000 0.761 461 E HN 0.483 nan 8.360 nan 0.000 0.454 462 I N 1.006 121.469 120.570 -0.178 0.000 2.264 462 I HA -0.277 3.880 4.170 -0.022 0.000 0.248 462 I C 2.347 178.324 176.117 -0.232 0.000 1.111 462 I CA 0.874 62.072 61.300 -0.170 0.000 1.382 462 I CB -0.225 37.701 38.000 -0.123 0.000 1.060 462 I HN 0.069 nan 8.210 nan 0.000 0.418 463 L N 0.295 121.333 121.223 -0.310 0.000 2.083 463 L HA -0.212 4.115 4.340 -0.022 0.000 0.209 463 L C 2.334 179.066 176.870 -0.230 0.000 1.083 463 L CA 1.462 56.113 54.840 -0.315 0.000 0.752 463 L CB -0.439 41.470 42.059 -0.250 0.000 0.899 463 L HN 0.161 nan 8.230 nan 0.000 0.433 464 K N 0.167 120.366 120.400 -0.335 0.000 2.366 464 K HA -0.074 4.233 4.320 -0.022 0.000 0.198 464 K C 1.493 177.898 176.600 -0.325 0.000 1.044 464 K CA 0.759 56.712 56.287 -0.556 0.000 0.973 464 K CB 0.201 32.127 32.500 -0.957 0.000 0.767 464 K HN 0.334 nan 8.250 nan 0.000 0.475 465 K N -0.703 119.573 120.400 -0.208 0.000 2.402 465 K HA 0.129 4.436 4.320 -0.022 0.000 0.204 465 K C 0.880 177.434 176.600 -0.077 0.000 1.056 465 K CA 0.370 56.592 56.287 -0.110 0.000 1.069 465 K CB 1.034 33.476 32.500 -0.097 0.000 0.888 465 K HN 0.055 nan 8.250 nan 0.000 0.546 466 T N -0.956 113.541 114.554 -0.095 0.000 2.206 466 T HA 0.142 4.479 4.350 -0.022 0.000 0.168 466 T C 1.919 176.592 174.700 -0.045 0.000 0.753 466 T CA 0.019 62.075 62.100 -0.073 0.000 1.041 466 T CB -0.795 68.014 68.868 -0.098 0.000 2.919 466 T HN 0.085 nan 8.240 nan 0.000 0.392 467 I N -0.710 119.789 120.570 -0.120 0.000 2.399 467 I HA 0.025 4.182 4.170 -0.022 0.000 0.254 467 I C 1.096 177.336 176.117 0.205 0.000 1.146 467 I CA 1.737 62.988 61.300 -0.081 0.000 1.412 467 I CB -0.596 37.203 38.000 -0.336 0.000 1.076 467 I HN 0.186 nan 8.210 nan 0.000 0.432 468 F N 1.024 121.047 119.950 0.122 0.000 2.735 468 F HA 0.360 4.874 4.527 -0.022 0.000 0.304 468 F C 1.876 177.723 175.800 0.079 0.000 1.119 468 F CA -1.114 57.021 58.000 0.224 0.000 1.280 468 F CB -0.610 38.511 39.000 0.202 0.000 0.994 468 F HN 0.029 nan 8.300 nan 0.000 0.520 469 K N 0.810 121.309 120.400 0.166 0.000 2.020 469 K HA -0.200 4.107 4.320 -0.022 0.000 0.212 469 K C 1.492 178.127 176.600 0.058 0.000 1.050 469 K CA 2.169 58.500 56.287 0.073 0.000 0.929 469 K CB 0.031 32.545 32.500 0.024 0.000 0.714 469 K HN 0.010 nan 8.250 nan 0.000 0.443 470 D N -0.020 120.373 120.400 -0.013 0.000 2.116 470 D HA -0.185 4.442 4.640 -0.022 0.000 0.193 470 D C 1.827 178.012 176.300 -0.192 0.000 0.998 470 D CA 1.420 55.289 54.000 -0.218 0.000 0.836 470 D CB -0.362 40.191 40.800 -0.412 0.000 0.951 470 D HN 0.229 nan 8.370 nan 0.000 0.449 471 F N -0.215 119.785 119.950 0.084 0.000 2.171 471 F HA -0.161 4.353 4.527 -0.022 0.000 0.300 471 F C 2.350 178.261 175.800 0.184 0.000 1.090 471 F CA 0.607 58.733 58.000 0.209 0.000 1.293 471 F CB -0.792 38.396 39.000 0.314 0.000 1.013 471 F HN 0.002 nan 8.300 nan 0.000 0.486 472 Y N 1.309 121.522 120.300 -0.146 0.000 2.224 472 Y HA -0.203 4.334 4.550 -0.022 0.000 0.289 472 Y C 2.134 177.998 175.900 -0.060 0.000 1.146 472 Y CA 1.638 59.464 58.100 -0.457 0.000 1.182 472 Y CB -0.702 37.331 38.460 -0.712 0.000 0.983 472 Y HN 0.148 nan 8.280 nan 0.000 0.524 473 E N -0.298 119.800 120.200 -0.170 0.000 2.072 473 E HA -0.197 4.140 4.350 -0.022 0.000 0.191 473 E C 2.061 178.681 176.600 0.034 0.000 0.985 473 E CA 1.239 57.553 56.400 -0.142 0.000 0.801 473 E CB -0.305 29.377 29.700 -0.031 0.000 0.750 473 E HN 0.455 nan 8.360 nan 0.000 0.452 474 L N 0.983 122.286 121.223 0.133 0.000 2.056 474 L HA -0.093 4.234 4.340 -0.022 0.000 0.207 474 L C 0.165 177.122 176.870 0.144 0.000 1.078 474 L CA 1.657 56.622 54.840 0.209 0.000 0.749 474 L CB 0.312 42.501 42.059 0.216 0.000 0.901 474 L HN -0.071 nan 8.230 nan 0.000 0.433 475 E N -0.277 119.996 120.200 0.122 0.000 3.132 475 E HA 0.178 4.515 4.350 -0.022 0.000 0.241 475 E C -2.016 174.468 176.600 -0.192 0.000 1.196 475 E CA -1.352 54.985 56.400 -0.106 0.000 0.869 475 E CB 0.824 30.450 29.700 -0.123 0.000 1.387 475 E HN 0.174 nan 8.360 nan 0.000 0.393 476 P HA -0.252 nan 4.420 nan 0.000 0.216 476 P C 1.104 178.501 177.300 0.162 0.000 1.150 476 P CA 1.555 64.583 63.100 -0.119 0.000 0.837 476 P CB 0.007 31.543 31.700 -0.273 0.000 0.786 477 H N -0.032 119.152 119.070 0.189 0.000 2.457 477 H HA -0.030 4.512 4.556 -0.022 0.000 0.297 477 H C 1.806 177.230 175.328 0.161 0.000 1.092 477 H CA 1.240 57.383 56.048 0.159 0.000 1.309 477 H CB -1.047 28.778 29.762 0.105 0.000 1.382 477 H HN 0.122 nan 8.280 nan 0.000 0.535 478 K N 0.072 120.379 120.400 -0.156 0.000 2.155 478 K HA 0.007 4.314 4.320 -0.022 0.000 0.203 478 K C -0.371 176.081 176.600 -0.246 0.000 1.052 478 K CA 0.342 56.528 56.287 -0.169 0.000 0.948 478 K CB 0.049 32.318 32.500 -0.384 0.000 0.728 478 K HN 0.196 nan 8.250 nan 0.000 0.448 479 F N 2.067 122.053 119.950 0.060 0.000 2.438 479 F HA 0.134 4.648 4.527 -0.022 0.000 0.356 479 F C 0.646 176.451 175.800 0.007 0.000 1.099 479 F CA 0.007 58.039 58.000 0.054 0.000 1.185 479 F CB 0.691 39.767 39.000 0.127 0.000 1.115 479 F HN -0.059 nan 8.300 nan 0.000 0.526 480 Q N 1.536 121.361 119.800 0.043 0.000 2.892 480 Q HA 0.469 4.796 4.340 -0.022 0.000 0.307 480 Q C -1.320 174.641 176.000 -0.065 0.000 1.039 480 Q CA -1.501 54.284 55.803 -0.029 0.000 0.792 480 Q CB 2.521 31.190 28.738 -0.116 0.000 1.504 480 Q HN 0.585 nan 8.270 nan 0.000 0.487 481 N N -0.092 118.545 118.700 -0.105 0.000 2.235 481 N HA 0.306 5.033 4.740 -0.022 0.000 0.293 481 N C -1.899 173.510 175.510 -0.169 0.000 1.083 481 N CA -0.491 52.498 53.050 -0.103 0.000 0.801 481 N CB 1.337 39.788 38.487 -0.061 0.000 1.559 481 N HN 0.251 nan 8.380 nan 0.000 0.472 482 K N 2.427 122.734 120.400 -0.156 0.000 2.764 482 K HA 0.231 4.538 4.320 -0.022 0.000 0.239 482 K C -1.165 175.448 176.600 0.021 0.000 1.048 482 K CA -0.517 55.651 56.287 -0.198 0.000 1.057 482 K CB 1.133 33.273 32.500 -0.600 0.000 1.251 482 K HN 0.635 nan 8.250 nan 0.000 0.524 483 T N 2.268 116.850 114.554 0.047 0.000 2.867 483 T HA 0.052 4.389 4.350 -0.022 0.000 0.297 483 T C 0.834 175.667 174.700 0.221 0.000 0.989 483 T CA 0.373 62.551 62.100 0.130 0.000 1.159 483 T CB 0.184 69.122 68.868 0.117 0.000 0.928 483 T HN 0.365 nan 8.240 nan 0.000 0.538 484 N N 0.791 119.645 118.700 0.256 0.000 2.202 484 N HA 0.378 5.105 4.740 -0.022 0.000 0.218 484 N C 0.488 176.193 175.510 0.326 0.000 1.328 484 N CA -0.003 53.234 53.050 0.313 0.000 0.884 484 N CB 0.319 38.928 38.487 0.203 0.000 1.106 484 N HN 0.781 nan 8.380 nan 0.000 0.439 485 G N -0.822 108.174 108.800 0.326 0.000 2.576 485 G HA2 0.500 4.447 3.960 -0.022 0.000 0.290 485 G HA3 0.500 4.447 3.960 -0.022 0.000 0.290 485 G C -1.436 173.607 174.900 0.239 0.000 1.442 485 G CA -0.792 44.486 45.100 0.297 0.000 0.792 485 G HN 0.595 nan 8.290 nan 0.000 0.491 486 I N -1.937 118.754 120.570 0.202 0.000 2.846 486 I HA 0.812 4.969 4.170 -0.022 0.000 0.307 486 I C -0.039 176.242 176.117 0.273 0.000 1.053 486 I CA -0.978 60.437 61.300 0.192 0.000 1.050 486 I CB 2.472 40.477 38.000 0.008 0.000 1.239 486 I HN 0.499 nan 8.210 nan 0.000 0.439 487 T N 3.844 118.614 114.554 0.361 0.000 2.794 487 T HA 0.366 4.703 4.350 -0.022 0.000 0.296 487 T C -1.421 173.403 174.700 0.206 0.000 0.949 487 T CA -1.728 60.506 62.100 0.224 0.000 1.101 487 T CB 0.827 69.775 68.868 0.133 0.000 0.905 487 T HN 0.627 nan 8.240 nan 0.000 0.516 488 P HA 0.030 nan 4.420 nan 0.000 0.230 488 P C 1.099 178.385 177.300 -0.023 0.000 1.158 488 P CA 0.351 63.504 63.100 0.087 0.000 0.769 488 P CB 0.362 32.103 31.700 0.068 0.000 0.807 489 R N 0.579 121.018 120.500 -0.101 0.000 2.065 489 R HA 0.003 4.330 4.340 -0.022 0.000 0.224 489 R C 2.713 178.901 176.300 -0.187 0.000 1.161 489 R CA 1.622 57.610 56.100 -0.188 0.000 0.923 489 R CB -1.256 28.938 30.300 -0.177 0.000 0.822 489 R HN 0.025 nan 8.270 nan 0.000 0.437 490 R N -0.727 119.606 120.500 -0.279 0.000 2.096 490 R HA -0.120 4.207 4.340 -0.022 0.000 0.235 490 R C 1.079 177.037 176.300 -0.569 0.000 1.127 490 R CA 1.623 57.414 56.100 -0.515 0.000 0.968 490 R CB -0.224 29.595 30.300 -0.801 0.000 0.861 490 R HN 0.316 nan 8.270 nan 0.000 0.440 491 W N 0.112 121.371 121.300 -0.068 0.000 3.438 491 W HA 0.142 4.789 4.660 -0.023 0.000 0.322 491 W C 0.828 177.318 176.519 -0.048 0.000 1.261 491 W CA -0.715 56.589 57.345 -0.069 0.000 1.788 491 W CB 0.420 29.845 29.460 -0.058 0.000 1.065 491 W HN 0.260 nan 8.180 nan 0.000 0.715 492 L N -2.759 118.523 121.223 0.099 0.000 1.719 492 L HA 0.125 4.452 4.340 -0.022 0.000 0.119 492 L C 1.614 178.507 176.870 0.038 0.000 1.421 492 L CA 0.686 55.581 54.840 0.091 0.000 1.093 492 L CB -0.887 41.254 42.059 0.137 0.000 2.237 492 L HN -0.271 nan 8.230 nan 0.000 0.465 493 V N 1.026 120.945 119.914 0.007 0.000 2.332 493 V HA -0.252 3.855 4.120 -0.022 0.000 0.248 493 V C 2.429 178.497 176.094 -0.043 0.000 1.055 493 V CA 2.411 64.699 62.300 -0.019 0.000 1.038 493 V CB -0.631 31.137 31.823 -0.091 0.000 0.651 493 V HN 0.403 nan 8.190 nan 0.000 0.450 494 L N 0.271 121.438 121.223 -0.093 0.000 2.022 494 L HA -0.116 4.211 4.340 -0.022 0.000 0.204 494 L C 2.658 179.465 176.870 -0.105 0.000 1.076 494 L CA 2.320 57.087 54.840 -0.121 0.000 0.749 494 L CB -0.795 41.138 42.059 -0.210 0.000 0.903 494 L HN 0.620 nan 8.230 nan 0.000 0.439 495 C N -2.153 117.074 119.300 -0.122 0.000 2.448 495 C HA -0.006 4.441 4.460 -0.022 0.000 0.280 495 C C 1.362 176.335 174.990 -0.027 0.000 1.398 495 C CA 0.015 58.985 59.018 -0.081 0.000 1.774 495 C CB -1.742 25.959 27.740 -0.065 0.000 1.888 495 C HN 0.581 nan 8.230 nan 0.000 0.519 496 N N 1.134 119.830 118.700 -0.007 0.000 2.765 496 N HA 0.250 4.977 4.740 -0.022 0.000 0.277 496 N C -1.785 173.735 175.510 0.017 0.000 1.750 496 N CA -1.249 51.807 53.050 0.010 0.000 0.827 496 N CB 1.102 39.603 38.487 0.024 0.000 1.200 496 N HN 0.214 nan 8.380 nan 0.000 0.494 497 P HA -0.119 nan 4.420 nan 0.000 0.216 497 P C 1.430 178.745 177.300 0.025 0.000 1.150 497 P CA 1.181 64.291 63.100 0.017 0.000 0.837 497 P CB 0.229 31.933 31.700 0.006 0.000 0.786 498 G N 0.566 109.378 108.800 0.019 0.000 2.421 498 G HA2 -0.211 3.736 3.960 -0.022 0.000 0.216 498 G HA3 -0.211 3.736 3.960 -0.022 0.000 0.216 498 G C 1.650 176.561 174.900 0.017 0.000 1.171 498 G CA 0.267 45.377 45.100 0.016 0.000 0.775 498 G HN 0.235 nan 8.290 nan 0.000 0.543 499 L N 0.555 121.788 121.223 0.016 0.000 2.056 499 L HA -0.003 4.324 4.340 -0.022 0.000 0.207 499 L C 3.250 180.139 176.870 0.032 0.000 1.078 499 L CA 1.489 56.335 54.840 0.010 0.000 0.749 499 L CB -0.413 41.651 42.059 0.008 0.000 0.901 499 L HN 0.328 nan 8.230 nan 0.000 0.433 500 A N 0.524 123.381 122.820 0.061 0.000 1.978 500 A HA -0.261 4.046 4.320 -0.022 0.000 0.220 500 A C 2.009 179.669 177.584 0.126 0.000 1.170 500 A CA 1.893 54.007 52.037 0.128 0.000 0.636 500 A CB -0.474 18.607 19.000 0.136 0.000 0.810 500 A HN 0.758 nan 8.150 nan 0.000 0.448 501 E N 0.436 120.682 120.200 0.077 0.000 2.122 501 E HA -0.088 4.249 4.350 -0.022 0.000 0.190 501 E C 1.904 178.538 176.600 0.058 0.000 0.977 501 E CA 1.003 57.444 56.400 0.068 0.000 0.820 501 E CB -0.714 29.013 29.700 0.046 0.000 0.770 501 E HN 0.747 nan 8.360 nan 0.000 0.462 502 I N -0.741 119.861 120.570 0.053 0.000 2.493 502 I HA -0.114 4.043 4.170 -0.022 0.000 0.254 502 I C 2.290 178.467 176.117 0.099 0.000 1.160 502 I CA 0.936 62.282 61.300 0.078 0.000 1.445 502 I CB -0.292 37.751 38.000 0.071 0.000 1.086 502 I HN 0.028 nan 8.210 nan 0.000 0.433 503 I N 1.894 122.496 120.570 0.053 0.000 2.233 503 I HA -0.160 3.997 4.170 -0.022 0.000 0.243 503 I C 2.994 179.053 176.117 -0.098 0.000 1.093 503 I CA 1.246 62.506 61.300 -0.068 0.000 1.380 503 I CB -0.460 37.392 38.000 -0.246 0.000 1.067 503 I HN 0.299 nan 8.210 nan 0.000 0.413 504 A N 1.229 124.076 122.820 0.046 0.000 2.019 504 A HA -0.235 4.072 4.320 -0.022 0.000 0.219 504 A C 2.126 179.737 177.584 0.045 0.000 1.164 504 A CA 1.825 53.944 52.037 0.136 0.000 0.644 504 A CB -0.733 18.378 19.000 0.186 0.000 0.805 504 A HN 0.672 nan 8.150 nan 0.000 0.449 505 E N -0.595 119.611 120.200 0.010 0.000 2.478 505 E HA -0.129 4.208 4.350 -0.022 0.000 0.198 505 E C 1.534 178.102 176.600 -0.054 0.000 1.046 505 E CA 0.659 57.056 56.400 -0.004 0.000 0.870 505 E CB -0.031 29.677 29.700 0.012 0.000 0.818 505 E HN 0.595 nan 8.360 nan 0.000 0.527 506 R N 0.740 121.150 120.500 -0.150 0.000 2.225 506 R HA 0.218 4.545 4.340 -0.022 0.000 0.194 506 R C 2.216 178.426 176.300 -0.149 0.000 0.949 506 R CA 0.822 56.774 56.100 -0.246 0.000 1.088 506 R CB -0.148 29.682 30.300 -0.784 0.000 1.106 506 R HN 0.355 nan 8.270 nan 0.000 0.566 507 I N -2.578 117.910 120.570 -0.136 0.000 4.154 507 I HA 0.471 4.628 4.170 -0.022 0.000 0.334 507 I C 0.505 176.655 176.117 0.054 0.000 1.371 507 I CA 0.049 61.326 61.300 -0.038 0.000 1.110 507 I CB 1.010 38.965 38.000 -0.076 0.000 1.085 507 I HN 0.180 nan 8.210 nan 0.000 0.398 508 G N 2.267 111.111 108.800 0.073 0.000 2.627 508 G HA2 -0.208 3.739 3.960 -0.022 0.000 0.214 508 G HA3 -0.208 3.739 3.960 -0.022 0.000 0.214 508 G C -0.060 174.967 174.900 0.211 0.000 1.331 508 G CA 0.176 45.343 45.100 0.111 0.000 0.891 508 G HN 0.439 nan 8.290 nan 0.000 0.539 509 E N -0.090 120.176 120.200 0.110 0.000 2.498 509 E HA 0.129 4.466 4.350 -0.022 0.000 0.203 509 E C 1.808 178.315 176.600 -0.155 0.000 1.013 509 E CA 0.162 56.544 56.400 -0.030 0.000 0.927 509 E CB 0.483 30.170 29.700 -0.021 0.000 1.012 509 E HN 0.616 nan 8.360 nan 0.000 0.482 510 E N 0.584 120.784 120.200 -0.001 0.000 2.160 510 E HA -0.212 4.125 4.350 -0.022 0.000 0.195 510 E C 1.760 178.339 176.600 -0.034 0.000 0.991 510 E CA 1.228 57.626 56.400 -0.003 0.000 0.810 510 E CB -0.209 29.520 29.700 0.049 0.000 0.742 510 E HN 0.491 nan 8.360 nan 0.000 0.466 511 Y N -0.173 120.126 120.300 -0.001 0.000 2.315 511 Y HA -0.135 4.402 4.550 -0.021 0.000 0.288 511 Y C 1.871 177.748 175.900 -0.038 0.000 1.154 511 Y CA 0.700 58.793 58.100 -0.012 0.000 1.229 511 Y CB -0.707 37.745 38.460 -0.012 0.000 0.980 511 Y HN -0.072 nan 8.280 nan 0.000 0.540 512 I N 0.950 120.988 120.570 -0.887 0.000 2.399 512 I HA -0.256 3.901 4.170 -0.022 0.000 0.254 512 I C 1.525 177.405 176.117 -0.395 0.000 1.146 512 I CA 1.915 62.765 61.300 -0.750 0.000 1.412 512 I CB -0.413 37.049 38.000 -0.897 0.000 1.076 512 I HN 0.525 nan 8.210 nan 0.000 0.432 513 S N -1.913 113.665 115.700 -0.203 0.000 2.902 513 S HA 0.229 4.686 4.470 -0.022 0.000 0.250 513 S C -0.055 174.538 174.600 -0.012 0.000 1.046 513 S CA -0.572 57.585 58.200 -0.072 0.000 1.069 513 S CB 0.370 63.589 63.200 0.032 0.000 0.967 513 S HN 0.314 nan 8.310 nan 0.000 0.530 514 D N 0.572 120.971 120.400 -0.001 0.000 3.709 514 D HA 0.120 4.747 4.640 -0.022 0.000 0.246 514 D C 0.482 176.826 176.300 0.074 0.000 1.445 514 D CA -0.327 53.693 54.000 0.033 0.000 0.861 514 D CB -0.030 40.791 40.800 0.035 0.000 1.433 514 D HN 0.165 nan 8.370 nan 0.000 0.723 515 L N 0.825 122.098 121.223 0.083 0.000 2.263 515 L HA -0.073 4.254 4.340 -0.022 0.000 0.216 515 L C 1.412 178.338 176.870 0.092 0.000 1.111 515 L CA 1.705 56.623 54.840 0.130 0.000 0.773 515 L CB -0.169 41.957 42.059 0.112 0.000 0.906 515 L HN 0.241 nan 8.230 nan 0.000 0.439 516 D N -0.885 119.546 120.400 0.052 0.000 2.384 516 D HA -0.165 4.462 4.640 -0.022 0.000 0.222 516 D C 1.819 178.142 176.300 0.038 0.000 0.976 516 D CA 0.552 54.568 54.000 0.026 0.000 0.915 516 D CB 0.135 40.938 40.800 0.004 0.000 0.896 516 D HN 0.578 nan 8.370 nan 0.000 0.523 517 Q N -0.347 119.494 119.800 0.068 0.000 2.432 517 Q HA 0.074 4.401 4.340 -0.022 0.000 0.205 517 Q C 2.095 178.118 176.000 0.037 0.000 0.945 517 Q CA 0.006 55.850 55.803 0.068 0.000 0.924 517 Q CB 0.385 29.191 28.738 0.114 0.000 1.016 517 Q HN 0.364 nan 8.270 nan 0.000 0.503 518 L N 0.068 121.304 121.223 0.022 0.000 2.362 518 L HA -0.140 4.187 4.340 -0.022 0.000 0.219 518 L C 2.324 179.189 176.870 -0.009 0.000 1.134 518 L CA 0.633 55.448 54.840 -0.042 0.000 0.807 518 L CB -0.255 41.787 42.059 -0.029 0.000 0.927 518 L HN 0.159 nan 8.230 nan 0.000 0.447 519 R N 0.773 121.281 120.500 0.014 0.000 2.159 519 R HA -0.183 4.144 4.340 -0.022 0.000 0.237 519 R C 2.129 178.443 176.300 0.024 0.000 1.131 519 R CA 1.250 57.363 56.100 0.021 0.000 0.982 519 R CB 0.017 30.327 30.300 0.016 0.000 0.868 519 R HN 0.260 nan 8.270 nan 0.000 0.453 520 K N 0.000 120.412 120.400 0.019 0.000 2.209 520 K HA -0.111 4.196 4.320 -0.022 0.000 0.204 520 K C 1.778 178.426 176.600 0.079 0.000 1.048 520 K CA 1.085 57.396 56.287 0.040 0.000 0.940 520 K CB -0.064 32.455 32.500 0.033 0.000 0.729 520 K HN 0.250 nan 8.250 nan 0.000 0.451 521 L N 0.909 122.137 121.223 0.010 0.000 2.265 521 L HA -0.159 4.168 4.340 -0.022 0.000 0.215 521 L C 2.010 178.965 176.870 0.142 0.000 1.117 521 L CA 0.735 55.569 54.840 -0.011 0.000 0.782 521 L CB -0.440 41.596 42.059 -0.039 0.000 0.914 521 L HN 0.219 nan 8.230 nan 0.000 0.441 522 L N -0.855 120.429 121.223 0.101 0.000 2.349 522 L HA -0.175 4.152 4.340 -0.022 0.000 0.220 522 L C 2.298 179.208 176.870 0.066 0.000 1.130 522 L CA 0.688 55.580 54.840 0.086 0.000 0.791 522 L CB -0.375 41.712 42.059 0.048 0.000 0.918 522 L HN 0.206 nan 8.230 nan 0.000 0.444 523 S N -1.446 114.288 115.700 0.056 0.000 2.561 523 S HA -0.035 4.422 4.470 -0.022 0.000 0.225 523 S C 0.796 175.222 174.600 -0.291 0.000 0.977 523 S CA 0.469 58.597 58.200 -0.119 0.000 0.926 523 S CB -0.066 63.011 63.200 -0.203 0.000 0.769 523 S HN 0.405 nan 8.310 nan 0.000 0.533 524 Y N -0.897 119.354 120.300 -0.082 0.000 2.612 524 Y HA 0.368 4.916 4.550 -0.003 0.000 0.250 524 Y C 1.565 177.539 175.900 0.124 0.000 1.175 524 Y CA -0.694 57.376 58.100 -0.050 0.000 1.205 524 Y CB -0.187 38.069 38.460 -0.339 0.000 1.201 524 Y HN 0.074 nan 8.280 nan 0.000 0.532 525 V N 0.469 120.505 119.914 0.203 0.000 2.720 525 V HA -0.206 3.901 4.120 -0.022 0.000 0.256 525 V C 0.783 176.953 176.094 0.126 0.000 1.082 525 V CA 2.226 64.630 62.300 0.173 0.000 1.101 525 V CB 0.013 31.895 31.823 0.099 0.000 0.693 525 V HN 0.346 nan 8.190 nan 0.000 0.479 526 D N -0.729 119.725 120.400 0.090 0.000 2.479 526 D HA 0.145 4.772 4.640 -0.022 0.000 0.218 526 D C 0.202 176.543 176.300 0.068 0.000 1.177 526 D CA -0.059 53.977 54.000 0.060 0.000 0.830 526 D CB 0.187 41.000 40.800 0.020 0.000 1.014 526 D HN 0.451 nan 8.370 nan 0.000 0.503 527 D N 1.622 122.096 120.400 0.124 0.000 2.295 527 D HA -0.001 4.626 4.640 -0.022 0.000 0.248 527 D C 1.145 177.542 176.300 0.163 0.000 1.154 527 D CA -0.048 54.037 54.000 0.142 0.000 0.857 527 D CB 1.468 42.409 40.800 0.235 0.000 1.117 527 D HN -0.185 nan 8.370 nan 0.000 0.468 528 E N 2.970 123.234 120.200 0.106 0.000 2.110 528 E HA -0.147 4.190 4.350 -0.022 0.000 0.193 528 E C 1.670 178.329 176.600 0.099 0.000 0.988 528 E CA 0.850 57.300 56.400 0.084 0.000 0.804 528 E CB -0.194 29.538 29.700 0.053 0.000 0.745 528 E HN 0.645 nan 8.360 nan 0.000 0.458 529 A N 0.727 123.624 122.820 0.129 0.000 1.873 529 A HA -0.163 4.144 4.320 -0.022 0.000 0.215 529 A C 2.071 179.765 177.584 0.183 0.000 1.186 529 A CA 1.117 53.234 52.037 0.133 0.000 0.616 529 A CB -0.731 18.352 19.000 0.137 0.000 0.823 529 A HN 0.238 nan 8.150 nan 0.000 0.442 530 F N 0.558 120.547 119.950 0.065 0.000 2.146 530 F HA -0.088 4.427 4.527 -0.020 0.000 0.298 530 F C 1.957 177.773 175.800 0.028 0.000 1.096 530 F CA 1.114 59.137 58.000 0.038 0.000 1.275 530 F CB -0.353 38.696 39.000 0.081 0.000 1.008 530 F HN 0.165 nan 8.300 nan 0.000 0.480 531 I N -0.294 120.302 120.570 0.044 0.000 2.226 531 I HA -0.310 3.847 4.170 -0.022 0.000 0.245 531 I C 2.667 178.732 176.117 -0.086 0.000 1.100 531 I CA 1.250 62.514 61.300 -0.060 0.000 1.374 531 I CB -0.467 37.547 38.000 0.023 0.000 1.057 531 I HN 0.020 nan 8.210 nan 0.000 0.413 532 R N 0.501 120.981 120.500 -0.033 0.000 2.073 532 R HA -0.177 4.150 4.340 -0.022 0.000 0.234 532 R C 1.926 178.189 176.300 -0.063 0.000 1.134 532 R CA 1.760 57.841 56.100 -0.033 0.000 0.952 532 R CB -0.281 30.019 30.300 0.000 0.000 0.850 532 R HN 0.337 nan 8.270 nan 0.000 0.433 533 D N -0.201 120.153 120.400 -0.077 0.000 2.144 533 D HA -0.107 4.520 4.640 -0.022 0.000 0.200 533 D C 1.933 178.133 176.300 -0.167 0.000 0.978 533 D CA 0.838 54.783 54.000 -0.092 0.000 0.833 533 D CB -0.100 40.676 40.800 -0.040 0.000 0.961 533 D HN -0.005 nan 8.370 nan 0.000 0.470 534 V N 1.340 121.067 119.914 -0.312 0.000 2.295 534 V HA -0.242 3.865 4.120 -0.022 0.000 0.246 534 V C 2.510 178.518 176.094 -0.144 0.000 1.049 534 V CA 1.923 64.037 62.300 -0.309 0.000 1.024 534 V CB -0.777 30.777 31.823 -0.448 0.000 0.648 534 V HN 0.190 nan 8.190 nan 0.000 0.447 535 A N -0.505 122.249 122.820 -0.111 0.000 1.930 535 A HA -0.239 4.068 4.320 -0.022 0.000 0.217 535 A C 2.352 179.903 177.584 -0.055 0.000 1.175 535 A CA 2.032 54.034 52.037 -0.058 0.000 0.627 535 A CB -0.457 18.511 19.000 -0.054 0.000 0.815 535 A HN 0.525 nan 8.150 nan 0.000 0.443 536 K N -0.223 120.142 120.400 -0.058 0.000 2.155 536 K HA -0.040 4.267 4.320 -0.022 0.000 0.203 536 K C 1.691 178.272 176.600 -0.032 0.000 1.052 536 K CA 1.369 57.632 56.287 -0.041 0.000 0.948 536 K CB -0.148 32.333 32.500 -0.032 0.000 0.728 536 K HN 0.245 nan 8.250 nan 0.000 0.448 537 V N 1.555 121.445 119.914 -0.040 0.000 2.453 537 V HA -0.178 3.929 4.120 -0.022 0.000 0.247 537 V C 2.305 178.391 176.094 -0.014 0.000 1.048 537 V CA 1.696 63.981 62.300 -0.025 0.000 1.049 537 V CB -0.327 31.476 31.823 -0.034 0.000 0.672 537 V HN 0.308 nan 8.190 nan 0.000 0.457 538 K N 0.070 120.458 120.400 -0.019 0.000 2.057 538 K HA -0.165 4.142 4.320 -0.022 0.000 0.207 538 K C 2.191 178.775 176.600 -0.026 0.000 1.049 538 K CA 1.463 57.748 56.287 -0.004 0.000 0.931 538 K CB -0.388 32.123 32.500 0.018 0.000 0.714 538 K HN 0.251 nan 8.250 nan 0.000 0.440 539 Q N 0.722 120.497 119.800 -0.041 0.000 2.119 539 Q HA -0.113 4.214 4.340 -0.022 0.000 0.201 539 Q C 1.813 177.800 176.000 -0.021 0.000 0.972 539 Q CA 1.540 57.309 55.803 -0.058 0.000 0.847 539 Q CB 0.034 28.739 28.738 -0.055 0.000 0.903 539 Q HN 0.515 nan 8.270 nan 0.000 0.433 540 E N -0.141 120.058 120.200 -0.002 0.000 2.072 540 E HA -0.122 4.215 4.350 -0.022 0.000 0.191 540 E C 1.760 178.391 176.600 0.051 0.000 0.985 540 E CA 0.875 57.288 56.400 0.022 0.000 0.801 540 E CB -0.057 29.653 29.700 0.017 0.000 0.750 540 E HN 0.476 nan 8.360 nan 0.000 0.452 541 N N 0.646 119.375 118.700 0.050 0.000 2.142 541 N HA -0.144 4.583 4.740 -0.022 0.000 0.186 541 N C 1.655 177.261 175.510 0.160 0.000 1.023 541 N CA 0.882 53.985 53.050 0.088 0.000 0.852 541 N CB 0.024 38.547 38.487 0.060 0.000 0.998 541 N HN 0.015 nan 8.380 nan 0.000 0.424 542 K N 0.653 121.116 120.400 0.104 0.000 2.097 542 K HA -0.101 4.206 4.320 -0.022 0.000 0.206 542 K C 1.947 178.691 176.600 0.241 0.000 1.049 542 K CA 0.735 57.117 56.287 0.157 0.000 0.933 542 K CB -0.145 32.176 32.500 -0.299 0.000 0.717 542 K HN 0.074 nan 8.250 nan 0.000 0.442 543 L N 1.755 123.051 121.223 0.122 0.000 2.056 543 L HA -0.153 4.174 4.340 -0.022 0.000 0.207 543 L C 2.243 179.205 176.870 0.154 0.000 1.078 543 L CA 1.715 56.627 54.840 0.120 0.000 0.749 543 L CB -0.160 41.939 42.059 0.067 0.000 0.901 543 L HN 0.022 nan 8.230 nan 0.000 0.433 544 K N -1.582 118.916 120.400 0.164 0.000 2.057 544 K HA -0.211 4.096 4.320 -0.022 0.000 0.206 544 K C 2.182 178.928 176.600 0.244 0.000 1.050 544 K CA 1.507 57.897 56.287 0.170 0.000 0.935 544 K CB -0.266 32.320 32.500 0.143 0.000 0.715 544 K HN 0.247 nan 8.250 nan 0.000 0.439 545 F N 1.363 121.411 119.950 0.164 0.000 2.171 545 F HA -0.117 4.397 4.527 -0.022 0.000 0.300 545 F C 1.990 177.922 175.800 0.220 0.000 1.090 545 F CA 1.277 59.396 58.000 0.200 0.000 1.293 545 F CB -0.432 38.688 39.000 0.200 0.000 1.013 545 F HN 0.037 nan 8.300 nan 0.000 0.486 546 A N 0.036 122.964 122.820 0.179 0.000 1.972 546 A HA -0.020 4.287 4.320 -0.022 0.000 0.219 546 A C 2.336 179.916 177.584 -0.008 0.000 1.169 546 A CA 1.574 53.637 52.037 0.043 0.000 0.635 546 A CB -1.398 17.688 19.000 0.145 0.000 0.810 546 A HN 0.428 nan 8.150 nan 0.000 0.446 547 A N -2.000 120.852 122.820 0.053 0.000 2.067 547 A HA 0.076 4.383 4.320 -0.022 0.000 0.217 547 A C 1.973 179.576 177.584 0.032 0.000 1.156 547 A CA 1.308 53.374 52.037 0.047 0.000 0.683 547 A CB -0.555 18.490 19.000 0.076 0.000 0.808 547 A HN 0.735 nan 8.150 nan 0.000 0.455 548 Y N 0.135 120.373 120.300 -0.103 0.000 2.269 548 Y HA 0.051 4.588 4.550 -0.021 0.000 0.294 548 Y C 1.790 177.617 175.900 -0.122 0.000 1.120 548 Y CA 1.230 59.266 58.100 -0.106 0.000 1.159 548 Y CB -0.214 38.179 38.460 -0.112 0.000 1.024 548 Y HN 0.166 nan 8.280 nan 0.000 0.532 549 L N 0.485 121.508 121.223 -0.333 0.000 2.017 549 L HA -0.203 4.124 4.340 -0.022 0.000 0.208 549 L C 2.653 179.435 176.870 -0.147 0.000 1.073 549 L CA 2.036 56.700 54.840 -0.293 0.000 0.745 549 L CB -0.629 41.217 42.059 -0.355 0.000 0.894 549 L HN 0.353 nan 8.230 nan 0.000 0.432 550 E N 0.405 120.536 120.200 -0.114 0.000 2.051 550 E HA -0.238 4.099 4.350 -0.022 0.000 0.192 550 E C 2.336 178.883 176.600 -0.088 0.000 0.991 550 E CA 1.048 57.418 56.400 -0.050 0.000 0.799 550 E CB 0.057 29.755 29.700 -0.003 0.000 0.748 550 E HN 0.339 nan 8.360 nan 0.000 0.449 551 R N 0.030 120.451 120.500 -0.131 0.000 2.103 551 R HA -0.156 4.171 4.340 -0.022 0.000 0.234 551 R C 2.264 178.422 176.300 -0.237 0.000 1.132 551 R CA 1.919 57.928 56.100 -0.152 0.000 0.925 551 R CB -0.206 30.012 30.300 -0.136 0.000 0.842 551 R HN 0.288 nan 8.270 nan 0.000 0.430 552 E N -0.905 119.037 120.200 -0.430 0.000 2.250 552 E HA -0.088 4.249 4.350 -0.022 0.000 0.192 552 E C 1.125 177.308 176.600 -0.695 0.000 0.986 552 E CA 1.002 57.022 56.400 -0.634 0.000 0.849 552 E CB 0.147 29.249 29.700 -0.997 0.000 0.797 552 E HN 0.507 nan 8.360 nan 0.000 0.482 553 Y N 0.217 120.383 120.300 -0.223 0.000 2.588 553 Y HA 0.258 4.795 4.550 -0.022 0.000 0.247 553 Y C 0.146 175.996 175.900 -0.083 0.000 1.157 553 Y CA -0.710 57.315 58.100 -0.125 0.000 1.215 553 Y CB 0.612 39.000 38.460 -0.120 0.000 1.245 553 Y HN -0.272 nan 8.280 nan 0.000 0.534 554 K N 0.731 121.140 120.400 0.016 0.000 3.177 554 K HA -0.154 4.153 4.320 -0.022 0.000 0.266 554 K C -0.831 175.799 176.600 0.051 0.000 0.937 554 K CA 0.385 56.684 56.287 0.020 0.000 0.702 554 K CB -1.715 30.796 32.500 0.018 0.000 1.365 554 K HN 0.143 nan 8.250 nan 0.000 0.466 555 V N 1.419 121.360 119.914 0.045 0.000 2.448 555 V HA 0.219 4.326 4.120 -0.022 0.000 0.295 555 V C 0.477 176.591 176.094 0.034 0.000 1.025 555 V CA -0.842 61.478 62.300 0.034 0.000 0.859 555 V CB 1.823 33.640 31.823 -0.010 0.000 0.988 555 V HN 0.350 nan 8.190 nan 0.000 0.431 556 H N 6.409 125.462 119.070 -0.028 0.000 2.458 556 H HA 0.726 5.269 4.556 -0.022 0.000 0.330 556 H C -1.016 174.298 175.328 -0.024 0.000 1.111 556 H CA -0.565 55.471 56.048 -0.021 0.000 1.245 556 H CB 1.796 31.553 29.762 -0.007 0.000 1.456 556 H HN 0.719 nan 8.280 nan 0.000 0.488 557 I N 1.848 121.956 120.570 -0.770 0.000 2.656 557 I HA 0.284 4.441 4.170 -0.022 0.000 0.292 557 I C -0.810 175.005 176.117 -0.503 0.000 1.144 557 I CA -1.256 59.703 61.300 -0.569 0.000 1.038 557 I CB 1.998 39.837 38.000 -0.267 0.000 1.244 557 I HN 0.385 nan 8.210 nan 0.000 0.420 558 N N 7.665 126.206 118.700 -0.266 0.000 2.416 558 N HA 0.274 5.001 4.740 -0.022 0.000 0.265 558 N C -1.626 173.972 175.510 0.148 0.000 1.195 558 N CA -2.221 50.818 53.050 -0.018 0.000 0.943 558 N CB 0.855 39.367 38.487 0.043 0.000 1.115 558 N HN 0.472 nan 8.380 nan 0.000 0.481 559 P HA -0.049 nan 4.420 nan 0.000 0.233 559 P C -0.669 176.578 177.300 -0.089 0.000 1.167 559 P CA 0.895 64.038 63.100 0.072 0.000 0.770 559 P CB 0.085 31.827 31.700 0.070 0.000 0.837 560 N N 0.359 119.052 118.700 -0.011 0.000 3.131 560 N HA 0.175 4.902 4.740 -0.022 0.000 0.312 560 N C -0.449 175.062 175.510 0.001 0.000 1.433 560 N CA -0.282 52.756 53.050 -0.021 0.000 1.141 560 N CB 0.240 38.734 38.487 0.013 0.000 1.431 560 N HN 0.125 nan 8.380 nan 0.000 0.523 561 S N -0.563 115.113 115.700 -0.040 0.000 2.607 561 S HA 0.382 4.839 4.470 -0.022 0.000 0.273 561 S C -1.059 173.436 174.600 -0.174 0.000 1.148 561 S CA -1.076 57.100 58.200 -0.041 0.000 0.833 561 S CB 1.439 64.664 63.200 0.041 0.000 1.130 561 S HN 0.081 nan 8.310 nan 0.000 0.470 562 L N 2.069 123.058 121.223 -0.390 0.000 2.361 562 L HA 0.508 4.835 4.340 -0.022 0.000 0.278 562 L C -1.205 175.607 176.870 -0.096 0.000 1.113 562 L CA -0.581 53.849 54.840 -0.683 0.000 0.849 562 L CB -1.069 40.320 42.059 -1.116 0.000 1.155 562 L HN 0.658 nan 8.230 nan 0.000 0.452 563 F N 4.191 123.984 119.950 -0.263 0.000 2.439 563 F HA 0.217 4.732 4.527 -0.021 0.000 0.356 563 F C 0.639 176.352 175.800 -0.144 0.000 1.161 563 F CA -0.733 57.182 58.000 -0.141 0.000 1.151 563 F CB -0.189 38.775 39.000 -0.059 0.000 1.222 563 F HN 0.527 nan 8.300 nan 0.000 0.558 564 D N 3.972 124.362 120.400 -0.017 0.000 2.380 564 D HA 0.336 4.963 4.640 -0.022 0.000 0.230 564 D C -0.923 175.304 176.300 -0.122 0.000 1.154 564 D CA 0.010 53.955 54.000 -0.092 0.000 0.859 564 D CB 1.001 41.736 40.800 -0.110 0.000 1.045 564 D HN 0.136 nan 8.370 nan 0.000 0.495 565 V N 4.523 124.345 119.914 -0.153 0.000 2.487 565 V HA 0.355 4.462 4.120 -0.022 0.000 0.298 565 V C -0.128 175.800 176.094 -0.277 0.000 1.028 565 V CA -0.833 61.361 62.300 -0.178 0.000 0.860 565 V CB 1.712 33.513 31.823 -0.037 0.000 0.991 565 V HN 0.494 nan 8.190 nan 0.000 0.427 566 Q N 3.903 123.561 119.800 -0.237 0.000 2.464 566 Q HA 0.634 4.961 4.340 -0.022 0.000 0.256 566 Q C -1.373 174.447 176.000 -0.299 0.000 1.020 566 Q CA -0.456 55.196 55.803 -0.252 0.000 0.716 566 Q CB 1.856 30.475 28.738 -0.198 0.000 1.230 566 Q HN 0.804 nan 8.270 nan 0.000 0.494 567 V N 1.470 121.183 119.914 -0.335 0.000 2.444 567 V HA 0.859 4.966 4.120 -0.022 0.000 0.294 567 V C -0.932 174.841 176.094 -0.535 0.000 1.022 567 V CA -0.536 61.349 62.300 -0.692 0.000 0.850 567 V CB 1.098 32.209 31.823 -1.186 0.000 0.992 567 V HN 0.816 nan 8.190 nan 0.000 0.426 568 K N 2.726 122.896 120.400 -0.383 0.000 2.999 568 K HA 0.496 4.803 4.320 -0.022 0.000 0.295 568 K C -1.189 175.433 176.600 0.037 0.000 1.082 568 K CA -1.254 55.013 56.287 -0.034 0.000 0.816 568 K CB 0.903 33.373 32.500 -0.050 0.000 1.492 568 K HN 0.425 nan 8.250 nan 0.000 0.362 569 R N 0.789 121.367 120.500 0.131 0.000 2.734 569 R HA 0.199 4.526 4.340 -0.022 0.000 0.266 569 R C 0.328 176.650 176.300 0.038 0.000 1.044 569 R CA -0.401 55.776 56.100 0.128 0.000 1.128 569 R CB -0.046 30.372 30.300 0.197 0.000 1.010 569 R HN 0.480 nan 8.270 nan 0.000 0.461 570 I N 3.359 123.910 120.570 -0.033 0.000 2.517 570 I HA 0.095 4.252 4.170 -0.022 0.000 0.285 570 I C 0.357 176.305 176.117 -0.282 0.000 1.106 570 I CA 0.473 61.695 61.300 -0.130 0.000 1.402 570 I CB -0.348 37.574 38.000 -0.130 0.000 1.399 570 I HN 0.458 nan 8.210 nan 0.000 0.535 571 H N 2.937 121.879 119.070 -0.213 0.000 3.046 571 H HA 0.205 4.748 4.556 -0.022 0.000 0.363 571 H C 0.441 175.598 175.328 -0.285 0.000 1.203 571 H CA -0.519 55.415 56.048 -0.191 0.000 1.169 571 H CB 2.066 31.606 29.762 -0.370 0.000 1.851 571 H HN 0.523 nan 8.280 nan 0.000 0.546 572 E N 1.120 121.308 120.200 -0.020 0.000 2.106 572 E HA -0.206 4.131 4.350 -0.022 0.000 0.192 572 E C 1.239 177.500 176.600 -0.564 0.000 0.984 572 E CA 1.207 57.524 56.400 -0.138 0.000 0.806 572 E CB 0.101 29.902 29.700 0.168 0.000 0.750 572 E HN 0.612 nan 8.360 nan 0.000 0.458 573 Y N 0.951 120.601 120.300 -1.083 0.000 2.293 573 Y HA -0.028 4.509 4.550 -0.022 0.000 0.291 573 Y C 1.503 177.123 175.900 -0.465 0.000 1.137 573 Y CA 0.952 58.285 58.100 -1.278 0.000 1.202 573 Y CB -0.123 37.682 38.460 -1.092 0.000 0.990 573 Y HN -0.224 nan 8.280 nan 0.000 0.537 574 K N 0.845 120.723 120.400 -0.868 0.000 2.486 574 K HA 0.046 4.353 4.320 -0.022 0.000 0.194 574 K C -0.004 176.412 176.600 -0.306 0.000 1.033 574 K CA 0.452 56.374 56.287 -0.608 0.000 1.004 574 K CB -0.086 32.063 32.500 -0.584 0.000 0.798 574 K HN 0.290 nan 8.250 nan 0.000 0.495 575 R N 0.682 121.027 120.500 -0.259 0.000 3.188 575 R HA -0.237 4.090 4.340 -0.022 0.000 0.247 575 R C 0.298 176.512 176.300 -0.144 0.000 0.918 575 R CA 0.139 56.145 56.100 -0.157 0.000 0.629 575 R CB -1.602 28.630 30.300 -0.114 0.000 1.087 575 R HN 0.305 nan 8.270 nan 0.000 0.462 576 Q N 0.386 120.102 119.800 -0.140 0.000 2.224 576 Q HA 0.014 4.341 4.340 -0.022 0.000 0.203 576 Q C 2.045 177.994 176.000 -0.086 0.000 0.970 576 Q CA 1.231 56.966 55.803 -0.113 0.000 0.865 576 Q CB 0.106 28.781 28.738 -0.105 0.000 0.922 576 Q HN 0.582 nan 8.270 nan 0.000 0.445 577 L N -0.402 120.773 121.223 -0.080 0.000 2.079 577 L HA -0.205 4.122 4.340 -0.022 0.000 0.210 577 L C 2.060 178.930 176.870 -0.001 0.000 1.081 577 L CA 0.676 55.486 54.840 -0.051 0.000 0.752 577 L CB -0.400 41.641 42.059 -0.030 0.000 0.896 577 L HN 0.319 nan 8.230 nan 0.000 0.433 578 L N 0.067 121.281 121.223 -0.016 0.000 2.046 578 L HA -0.262 4.065 4.340 -0.022 0.000 0.208 578 L C 2.043 178.950 176.870 0.062 0.000 1.077 578 L CA 2.013 56.851 54.840 -0.003 0.000 0.747 578 L CB -0.819 41.127 42.059 -0.187 0.000 0.896 578 L HN 0.296 nan 8.230 nan 0.000 0.432 579 N N -1.791 116.913 118.700 0.008 0.000 2.166 579 N HA -0.220 4.507 4.740 -0.022 0.000 0.186 579 N C 1.914 177.508 175.510 0.140 0.000 1.019 579 N CA 1.403 54.541 53.050 0.147 0.000 0.856 579 N CB -0.115 38.390 38.487 0.031 0.000 0.993 579 N HN 0.497 nan 8.380 nan 0.000 0.426 580 C N 0.529 119.849 119.300 0.033 0.000 2.429 580 C HA -0.047 4.400 4.460 -0.022 0.000 0.277 580 C C 2.577 177.571 174.990 0.007 0.000 1.262 580 C CA 0.327 59.320 59.018 -0.042 0.000 1.733 580 C CB -1.198 26.464 27.740 -0.132 0.000 2.010 580 C HN 0.514 nan 8.230 nan 0.000 0.483 581 L N -0.285 121.002 121.223 0.107 0.000 2.079 581 L HA -0.214 4.113 4.340 -0.022 0.000 0.210 581 L C 2.730 179.777 176.870 0.295 0.000 1.081 581 L CA 1.775 56.730 54.840 0.192 0.000 0.752 581 L CB -0.992 41.247 42.059 0.299 0.000 0.896 581 L HN 0.601 nan 8.230 nan 0.000 0.433 582 H N -0.439 118.758 119.070 0.211 0.000 2.395 582 H HA -0.106 4.437 4.556 -0.022 0.000 0.299 582 H C 2.223 177.556 175.328 0.008 0.000 1.070 582 H CA 1.478 57.571 56.048 0.075 0.000 1.356 582 H CB 0.447 30.191 29.762 -0.030 0.000 1.401 582 H HN 0.099 nan 8.280 nan 0.000 0.524 583 V N 1.555 121.417 119.914 -0.087 0.000 2.295 583 V HA -0.261 3.846 4.120 -0.022 0.000 0.246 583 V C 2.731 178.775 176.094 -0.083 0.000 1.049 583 V CA 1.826 64.030 62.300 -0.159 0.000 1.024 583 V CB -0.431 31.333 31.823 -0.098 0.000 0.648 583 V HN 0.392 nan 8.190 nan 0.000 0.447 584 I N -0.224 120.334 120.570 -0.020 0.000 2.493 584 I HA -0.194 3.963 4.170 -0.022 0.000 0.254 584 I C 2.382 178.580 176.117 0.136 0.000 1.160 584 I CA 1.491 62.856 61.300 0.108 0.000 1.445 584 I CB -0.670 37.377 38.000 0.078 0.000 1.086 584 I HN 0.310 nan 8.210 nan 0.000 0.433 585 T N 1.252 115.835 114.554 0.049 0.000 2.857 585 T HA -0.021 4.316 4.350 -0.022 0.000 0.266 585 T C 1.981 176.643 174.700 -0.063 0.000 1.048 585 T CA 1.008 63.128 62.100 0.033 0.000 1.139 585 T CB -0.116 68.802 68.868 0.082 0.000 0.874 585 T HN 0.253 nan 8.240 nan 0.000 0.455 586 L N -0.284 120.831 121.223 -0.179 0.000 2.056 586 L HA -0.070 4.257 4.340 -0.022 0.000 0.207 586 L C 2.378 179.220 176.870 -0.047 0.000 1.078 586 L CA 1.521 56.247 54.840 -0.191 0.000 0.749 586 L CB -0.550 41.329 42.059 -0.300 0.000 0.901 586 L HN 0.288 nan 8.230 nan 0.000 0.433 587 Y N 1.284 121.533 120.300 -0.085 0.000 2.145 587 Y HA -0.268 4.268 4.550 -0.022 0.000 0.286 587 Y C 2.273 178.170 175.900 -0.005 0.000 1.145 587 Y CA 1.977 60.068 58.100 -0.015 0.000 1.148 587 Y CB -0.514 37.988 38.460 0.071 0.000 0.981 587 Y HN 0.210 nan 8.280 nan 0.000 0.507 588 N N -0.359 118.330 118.700 -0.018 0.000 2.166 588 N HA -0.182 4.545 4.740 -0.022 0.000 0.186 588 N C 1.881 177.292 175.510 -0.166 0.000 1.019 588 N CA 1.062 54.028 53.050 -0.139 0.000 0.856 588 N CB -0.193 38.282 38.487 -0.019 0.000 0.993 588 N HN 0.318 nan 8.380 nan 0.000 0.426 589 R N 0.547 120.978 120.500 -0.115 0.000 2.120 589 R HA 0.013 4.340 4.340 -0.022 0.000 0.234 589 R C 1.922 178.144 176.300 -0.129 0.000 1.123 589 R CA 0.847 56.882 56.100 -0.108 0.000 0.975 589 R CB -0.084 30.162 30.300 -0.091 0.000 0.866 589 R HN 0.279 nan 8.270 nan 0.000 0.446 590 I N 0.425 120.897 120.570 -0.162 0.000 2.617 590 I HA -0.192 3.965 4.170 -0.022 0.000 0.256 590 I C 1.806 177.812 176.117 -0.185 0.000 1.167 590 I CA 0.884 62.090 61.300 -0.156 0.000 1.469 590 I CB 0.052 37.965 38.000 -0.144 0.000 1.098 590 I HN -0.037 nan 8.210 nan 0.000 0.436 591 K N 0.899 121.131 120.400 -0.279 0.000 2.167 591 K HA -0.053 4.254 4.320 -0.022 0.000 0.203 591 K C 1.963 178.465 176.600 -0.162 0.000 1.052 591 K CA 1.011 57.140 56.287 -0.264 0.000 0.956 591 K CB -0.182 32.077 32.500 -0.402 0.000 0.735 591 K HN 0.269 nan 8.250 nan 0.000 0.451 592 K N 0.808 121.121 120.400 -0.144 0.000 2.062 592 K HA -0.057 4.250 4.320 -0.022 0.000 0.205 592 K C 0.229 176.784 176.600 -0.075 0.000 1.051 592 K CA 1.006 57.234 56.287 -0.099 0.000 0.941 592 K CB 0.210 32.657 32.500 -0.087 0.000 0.719 592 K HN 0.123 nan 8.250 nan 0.000 0.440 593 E N 0.290 120.445 120.200 -0.075 0.000 3.037 593 E HA 0.092 4.429 4.350 -0.022 0.000 0.220 593 E C -2.159 174.408 176.600 -0.055 0.000 1.142 593 E CA -1.474 54.895 56.400 -0.053 0.000 0.888 593 E CB 1.369 31.044 29.700 -0.041 0.000 1.329 593 E HN 0.057 nan 8.360 nan 0.000 0.409 594 P HA -0.186 nan 4.420 nan 0.000 0.217 594 P C 0.459 177.743 177.300 -0.027 0.000 1.148 594 P CA 1.192 64.262 63.100 -0.050 0.000 0.828 594 P CB 0.354 32.027 31.700 -0.044 0.000 0.783 595 N N -0.727 117.965 118.700 -0.013 0.000 2.230 595 N HA 0.025 4.752 4.740 -0.022 0.000 0.202 595 N C 0.693 176.220 175.510 0.029 0.000 1.119 595 N CA 0.035 53.090 53.050 0.009 0.000 0.851 595 N CB 0.588 39.081 38.487 0.009 0.000 0.990 595 N HN 0.307 nan 8.380 nan 0.000 0.497 596 K N 0.877 121.287 120.400 0.017 0.000 2.218 596 K HA 0.098 4.405 4.320 -0.022 0.000 0.276 596 K C -0.698 175.945 176.600 0.071 0.000 1.022 596 K CA -0.437 55.876 56.287 0.044 0.000 0.946 596 K CB 0.771 33.278 32.500 0.012 0.000 1.000 596 K HN -0.183 nan 8.250 nan 0.000 0.468 597 F N 4.694 124.630 119.950 -0.023 0.000 2.399 597 F HA 0.307 4.821 4.527 -0.022 0.000 0.342 597 F C -0.658 175.126 175.800 -0.026 0.000 1.106 597 F CA -0.178 57.809 58.000 -0.022 0.000 1.196 597 F CB 0.855 39.845 39.000 -0.017 0.000 1.163 597 F HN 0.228 nan 8.300 nan 0.000 0.547 598 V N 3.734 123.042 119.914 -1.010 0.000 2.888 598 V HA 0.474 4.581 4.120 -0.022 0.000 0.309 598 V C -0.825 174.636 176.094 -1.055 0.000 1.114 598 V CA -1.262 60.588 62.300 -0.749 0.000 0.940 598 V CB 0.799 32.397 31.823 -0.375 0.000 1.021 598 V HN 0.625 nan 8.190 nan 0.000 0.426 599 V N 4.712 124.272 119.914 -0.590 0.000 2.509 599 V HA 0.156 4.263 4.120 -0.022 0.000 0.297 599 V C -1.794 174.118 176.094 -0.303 0.000 1.014 599 V CA -0.332 61.766 62.300 -0.337 0.000 1.127 599 V CB 0.210 31.969 31.823 -0.106 0.000 0.925 599 V HN 0.893 nan 8.190 nan 0.000 0.480 600 P HA 0.224 nan 4.420 nan 0.000 0.265 600 P C -0.270 176.929 177.300 -0.168 0.000 1.193 600 P CA 0.211 63.211 63.100 -0.167 0.000 0.765 600 P CB 0.461 32.114 31.700 -0.079 0.000 0.823 601 R N 1.235 121.651 120.500 -0.140 0.000 2.673 601 R HA 0.559 4.886 4.340 -0.022 0.000 0.281 601 R C -0.865 175.390 176.300 -0.076 0.000 0.991 601 R CA -0.590 55.431 56.100 -0.132 0.000 0.896 601 R CB 2.045 32.249 30.300 -0.161 0.000 1.201 601 R HN 0.286 nan 8.270 nan 0.000 0.457 602 T N 2.156 116.684 114.554 -0.043 0.000 2.977 602 T HA 0.214 4.551 4.350 -0.022 0.000 0.346 602 T C -0.437 174.178 174.700 -0.141 0.000 1.140 602 T CA -0.440 61.602 62.100 -0.095 0.000 1.040 602 T CB 1.006 69.788 68.868 -0.143 0.000 1.046 602 T HN 0.137 nan 8.240 nan 0.000 0.494 603 V N 5.706 125.542 119.914 -0.130 0.000 2.455 603 V HA 0.394 4.501 4.120 -0.022 0.000 0.273 603 V C 0.173 176.176 176.094 -0.151 0.000 1.045 603 V CA -0.168 62.056 62.300 -0.126 0.000 0.976 603 V CB 0.603 32.368 31.823 -0.097 0.000 0.993 603 V HN 0.826 nan 8.190 nan 0.000 0.475 604 M N 6.732 126.228 119.600 -0.173 0.000 2.243 604 M HA 0.606 5.073 4.480 -0.022 0.000 0.324 604 M C -0.997 175.172 176.300 -0.218 0.000 1.031 604 M CA -0.147 55.035 55.300 -0.198 0.000 0.949 604 M CB 1.996 34.466 32.600 -0.216 0.000 1.615 604 M HN 0.417 nan 8.290 nan 0.000 0.430 605 I N 1.984 122.399 120.570 -0.258 0.000 2.466 605 I HA 0.801 4.958 4.170 -0.022 0.000 0.289 605 I C 0.056 175.783 176.117 -0.650 0.000 1.026 605 I CA -0.646 60.469 61.300 -0.308 0.000 1.078 605 I CB 2.223 40.145 38.000 -0.131 0.000 1.249 605 I HN 0.800 nan 8.210 nan 0.000 0.429 606 G N 3.024 111.433 108.800 -0.652 0.000 2.660 606 G HA2 0.855 4.802 3.960 -0.022 0.000 0.294 606 G HA3 0.855 4.802 3.960 -0.022 0.000 0.294 606 G C -0.912 173.709 174.900 -0.465 0.000 1.369 606 G CA -0.816 43.776 45.100 -0.848 0.000 0.912 606 G HN 0.993 nan 8.290 nan 0.000 0.479 607 G N -0.487 108.219 108.800 -0.157 0.000 2.321 607 G HA2 0.395 4.342 3.960 -0.022 0.000 0.339 607 G HA3 0.395 4.342 3.960 -0.022 0.000 0.339 607 G C -1.254 173.802 174.900 0.260 0.000 1.518 607 G CA -1.016 44.154 45.100 0.118 0.000 0.994 607 G HN 0.634 nan 8.290 nan 0.000 0.668 608 K N -0.197 120.334 120.400 0.218 0.000 2.118 608 K HA 0.806 5.113 4.320 -0.022 0.000 0.254 608 K C 0.192 176.920 176.600 0.212 0.000 0.961 608 K CA -0.252 56.179 56.287 0.240 0.000 0.876 608 K CB 2.188 34.744 32.500 0.093 0.000 1.077 608 K HN 0.945 nan 8.250 nan 0.000 0.440 609 A N 1.185 124.163 122.820 0.264 0.000 2.317 609 A HA 0.662 4.969 4.320 -0.022 0.000 0.327 609 A C -0.476 177.261 177.584 0.255 0.000 1.178 609 A CA -0.769 51.353 52.037 0.142 0.000 0.817 609 A CB 1.025 20.037 19.000 0.019 0.000 1.189 609 A HN 0.772 nan 8.150 nan 0.000 0.489 610 A N 3.638 126.592 122.820 0.224 0.000 2.540 610 A HA 0.445 4.752 4.320 -0.022 0.000 0.239 610 A C -1.335 176.327 177.584 0.130 0.000 1.061 610 A CA -0.641 51.535 52.037 0.232 0.000 0.758 610 A CB -0.394 18.724 19.000 0.197 0.000 0.991 610 A HN 0.603 nan 8.150 nan 0.000 0.502 611 P HA -0.163 nan 4.420 nan 0.000 0.217 611 P C 1.316 178.612 177.300 -0.007 0.000 1.151 611 P CA 2.093 65.136 63.100 -0.095 0.000 0.849 611 P CB 0.154 31.744 31.700 -0.183 0.000 0.787 612 G N -3.206 105.616 108.800 0.037 0.000 3.141 612 G HA2 -0.097 3.850 3.960 -0.022 0.000 0.218 612 G HA3 -0.097 3.850 3.960 -0.022 0.000 0.218 612 G C -0.247 174.703 174.900 0.083 0.000 1.170 612 G CA -0.012 45.115 45.100 0.044 0.000 0.769 612 G HN 0.165 nan 8.290 nan 0.000 0.546 613 Y N 1.955 122.218 120.300 -0.061 0.000 2.691 613 Y HA 0.282 4.819 4.550 -0.022 0.000 0.338 613 Y C 1.385 177.287 175.900 0.003 0.000 1.148 613 Y CA -2.075 55.977 58.100 -0.081 0.000 1.430 613 Y CB -0.353 38.028 38.460 -0.132 0.000 1.303 613 Y HN 0.391 nan 8.280 nan 0.000 0.499 614 H N 3.558 122.752 119.070 0.208 0.000 2.252 614 H HA -0.276 4.267 4.556 -0.022 0.000 0.292 614 H C 2.037 177.394 175.328 0.048 0.000 1.082 614 H CA 3.067 59.178 56.048 0.106 0.000 1.229 614 H CB 0.110 29.926 29.762 0.090 0.000 1.353 614 H HN 0.583 nan 8.280 nan 0.000 0.488 615 M N 0.441 120.001 119.600 -0.066 0.000 2.106 615 M HA -0.144 4.323 4.480 -0.022 0.000 0.259 615 M C 2.389 178.437 176.300 -0.420 0.000 1.068 615 M CA 2.025 57.183 55.300 -0.237 0.000 1.100 615 M CB -0.882 31.716 32.600 -0.004 0.000 1.351 615 M HN 0.455 nan 8.290 nan 0.000 0.404 616 A N -0.587 121.768 122.820 -0.774 0.000 1.933 616 A HA -0.193 4.114 4.320 -0.022 0.000 0.218 616 A C 2.183 179.568 177.584 -0.333 0.000 1.175 616 A CA 1.908 53.513 52.037 -0.720 0.000 0.628 616 A CB -0.610 17.761 19.000 -1.048 0.000 0.814 616 A HN 0.600 nan 8.150 nan 0.000 0.444 617 K N -1.116 119.156 120.400 -0.214 0.000 2.155 617 K HA -0.015 4.292 4.320 -0.022 0.000 0.203 617 K C 1.947 178.515 176.600 -0.054 0.000 1.052 617 K CA 1.170 57.424 56.287 -0.056 0.000 0.948 617 K CB -0.204 32.337 32.500 0.068 0.000 0.728 617 K HN 0.331 nan 8.250 nan 0.000 0.448 618 M N 0.608 120.126 119.600 -0.137 0.000 2.175 618 M HA -0.082 4.385 4.480 -0.022 0.000 0.264 618 M C 2.137 178.363 176.300 -0.123 0.000 1.063 618 M CA 1.413 56.651 55.300 -0.102 0.000 1.119 618 M CB -0.599 31.893 32.600 -0.179 0.000 1.377 618 M HN 0.130 nan 8.290 nan 0.000 0.415 619 I N -0.251 120.211 120.570 -0.179 0.000 2.361 619 I HA -0.292 3.865 4.170 -0.022 0.000 0.251 619 I C 2.269 178.256 176.117 -0.217 0.000 1.133 619 I CA 0.977 62.165 61.300 -0.188 0.000 1.413 619 I CB -0.200 37.683 38.000 -0.195 0.000 1.073 619 I HN 0.183 nan 8.210 nan 0.000 0.424 620 I N 0.511 120.927 120.570 -0.257 0.000 2.252 620 I HA -0.272 3.885 4.170 -0.022 0.000 0.245 620 I C 2.553 178.375 176.117 -0.492 0.000 1.102 620 I CA 1.086 62.136 61.300 -0.418 0.000 1.385 620 I CB -0.217 37.512 38.000 -0.450 0.000 1.064 620 I HN 0.129 nan 8.210 nan 0.000 0.414 621 K N 1.376 121.494 120.400 -0.470 0.000 2.097 621 K HA -0.198 4.109 4.320 -0.022 0.000 0.206 621 K C 1.975 178.404 176.600 -0.284 0.000 1.049 621 K CA 1.442 57.357 56.287 -0.620 0.000 0.933 621 K CB -0.482 31.292 32.500 -1.210 0.000 0.717 621 K HN 0.116 nan 8.250 nan 0.000 0.442 622 L N 0.765 121.877 121.223 -0.185 0.000 2.046 622 L HA -0.013 4.314 4.340 -0.022 0.000 0.208 622 L C 1.919 178.565 176.870 -0.373 0.000 1.077 622 L CA 1.592 56.174 54.840 -0.430 0.000 0.747 622 L CB -0.393 41.272 42.059 -0.656 0.000 0.896 622 L HN 0.288 nan 8.230 nan 0.000 0.432 623 I N -0.543 119.858 120.570 -0.282 0.000 2.163 623 I HA -0.338 3.819 4.170 -0.022 0.000 0.243 623 I C 2.447 178.473 176.117 -0.152 0.000 1.085 623 I CA 1.910 63.100 61.300 -0.183 0.000 1.347 623 I CB -0.891 37.091 38.000 -0.031 0.000 1.044 623 I HN 0.488 nan 8.210 nan 0.000 0.408 624 T N -0.840 113.599 114.554 -0.193 0.000 2.821 624 T HA -0.043 4.294 4.350 -0.022 0.000 0.267 624 T C 2.007 176.649 174.700 -0.097 0.000 1.046 624 T CA 0.878 62.898 62.100 -0.133 0.000 1.139 624 T CB -0.471 68.279 68.868 -0.197 0.000 0.871 624 T HN 0.334 nan 8.240 nan 0.000 0.454 625 A N 1.518 124.273 122.820 -0.109 0.000 1.933 625 A HA 0.102 4.409 4.320 -0.022 0.000 0.218 625 A C 2.390 179.985 177.584 0.020 0.000 1.175 625 A CA 1.401 53.440 52.037 0.003 0.000 0.628 625 A CB -0.851 18.249 19.000 0.166 0.000 0.814 625 A HN 0.599 nan 8.150 nan 0.000 0.444 626 I N -0.548 119.934 120.570 -0.146 0.000 2.252 626 I HA -0.159 3.998 4.170 -0.022 0.000 0.245 626 I C 2.665 178.736 176.117 -0.076 0.000 1.102 626 I CA 1.033 62.221 61.300 -0.187 0.000 1.385 626 I CB -0.504 37.258 38.000 -0.397 0.000 1.064 626 I HN 0.400 nan 8.210 nan 0.000 0.414 627 G N 0.231 108.985 108.800 -0.077 0.000 2.432 627 G HA2 -0.234 3.713 3.960 -0.022 0.000 0.219 627 G HA3 -0.234 3.713 3.960 -0.022 0.000 0.219 627 G C 1.243 176.131 174.900 -0.019 0.000 1.135 627 G CA 0.735 45.800 45.100 -0.059 0.000 0.767 627 G HN 0.271 nan 8.290 nan 0.000 0.550 628 D N 0.136 120.560 120.400 0.040 0.000 2.149 628 D HA -0.087 4.540 4.640 -0.022 0.000 0.198 628 D C 2.709 179.108 176.300 0.165 0.000 0.990 628 D CA 0.731 54.817 54.000 0.145 0.000 0.839 628 D CB -0.170 40.673 40.800 0.072 0.000 0.948 628 D HN 0.243 nan 8.370 nan 0.000 0.460 629 V N 0.197 120.125 119.914 0.023 0.000 2.300 629 V HA -0.139 3.968 4.120 -0.022 0.000 0.241 629 V C 2.627 178.649 176.094 -0.119 0.000 1.034 629 V CA 0.722 62.965 62.300 -0.094 0.000 1.021 629 V CB -0.361 31.309 31.823 -0.254 0.000 0.662 629 V HN 0.012 nan 8.190 nan 0.000 0.458 630 V N 1.080 120.873 119.914 -0.201 0.000 2.233 630 V HA -0.274 3.833 4.120 -0.022 0.000 0.247 630 V C 2.241 178.292 176.094 -0.071 0.000 1.050 630 V CA 2.352 64.553 62.300 -0.165 0.000 1.010 630 V CB -0.955 30.779 31.823 -0.149 0.000 0.637 630 V HN 0.581 nan 8.190 nan 0.000 0.444 631 N N -0.509 118.094 118.700 -0.162 0.000 2.519 631 N HA -0.131 4.596 4.740 -0.022 0.000 0.186 631 N C 1.325 176.540 175.510 -0.492 0.000 1.062 631 N CA 1.052 53.911 53.050 -0.318 0.000 0.910 631 N CB -0.326 37.902 38.487 -0.431 0.000 0.958 631 N HN 0.639 nan 8.380 nan 0.000 0.445 632 H N -1.367 117.708 119.070 0.010 0.000 2.784 632 H HA 0.143 4.686 4.556 -0.021 0.000 0.273 632 H C -0.369 174.977 175.328 0.029 0.000 1.112 632 H CA -0.339 55.717 56.048 0.012 0.000 1.162 632 H CB 0.732 30.489 29.762 -0.008 0.000 1.586 632 H HN 0.088 nan 8.280 nan 0.000 0.548 633 D N 3.393 123.865 120.400 0.119 0.000 2.339 633 D HA 0.047 4.674 4.640 -0.022 0.000 0.241 633 D C -1.360 174.999 176.300 0.099 0.000 1.183 633 D CA -1.879 52.207 54.000 0.143 0.000 0.859 633 D CB 2.094 43.052 40.800 0.265 0.000 1.067 633 D HN 0.096 nan 8.370 nan 0.000 0.484 634 P HA -0.157 nan 4.420 nan 0.000 0.218 634 P C 1.593 178.917 177.300 0.040 0.000 1.148 634 P CA 0.524 63.654 63.100 0.051 0.000 0.822 634 P CB 0.457 32.182 31.700 0.043 0.000 0.784 635 V N 0.045 119.983 119.914 0.040 0.000 2.407 635 V HA -0.172 3.935 4.120 -0.022 0.000 0.248 635 V C 2.829 178.931 176.094 0.014 0.000 1.055 635 V CA 1.550 63.860 62.300 0.018 0.000 1.049 635 V CB -1.064 30.758 31.823 -0.001 0.000 0.662 635 V HN -0.044 nan 8.190 nan 0.000 0.455 636 V N -0.216 119.723 119.914 0.041 0.000 2.307 636 V HA 0.077 4.184 4.120 -0.022 0.000 0.245 636 V C 1.854 177.964 176.094 0.025 0.000 1.045 636 V CA 1.558 63.882 62.300 0.041 0.000 1.024 636 V CB -1.307 30.589 31.823 0.121 0.000 0.651 636 V HN 0.739 nan 8.190 nan 0.000 0.449 637 G N 1.559 110.378 108.800 0.033 0.000 2.596 637 G HA2 -0.402 3.545 3.960 -0.022 0.000 0.295 637 G HA3 -0.402 3.545 3.960 -0.022 0.000 0.295 637 G C 0.252 175.167 174.900 0.024 0.000 1.240 637 G CA 0.590 45.706 45.100 0.026 0.000 0.985 637 G HN 0.725 nan 8.290 nan 0.000 0.555 638 D N 0.233 120.652 120.400 0.031 0.000 2.370 638 D HA 0.247 4.874 4.640 -0.022 0.000 0.230 638 D C 1.840 178.141 176.300 0.003 0.000 1.143 638 D CA 0.226 54.249 54.000 0.038 0.000 0.834 638 D CB -0.001 40.845 40.800 0.077 0.000 0.944 638 D HN 0.598 nan 8.370 nan 0.000 0.504 639 R N -0.781 119.707 120.500 -0.021 0.000 2.200 639 R HA 0.287 4.614 4.340 -0.022 0.000 0.208 639 R C -0.055 176.197 176.300 -0.079 0.000 1.033 639 R CA 0.223 56.281 56.100 -0.069 0.000 1.000 639 R CB 0.249 30.494 30.300 -0.092 0.000 0.906 639 R HN 0.162 nan 8.270 nan 0.000 0.462 640 L N -0.054 121.142 121.223 -0.045 0.000 2.526 640 L HA 0.435 4.762 4.340 -0.022 0.000 0.263 640 L C -1.727 175.119 176.870 -0.040 0.000 0.943 640 L CA -0.678 54.132 54.840 -0.051 0.000 0.859 640 L CB 2.038 44.076 42.059 -0.034 0.000 1.313 640 L HN -0.205 nan 8.230 nan 0.000 0.406 641 R N 3.020 123.482 120.500 -0.064 0.000 2.538 641 R HA 0.814 5.141 4.340 -0.022 0.000 0.292 641 R C -1.788 174.455 176.300 -0.094 0.000 1.008 641 R CA -0.519 55.535 56.100 -0.077 0.000 0.896 641 R CB 2.208 32.458 30.300 -0.083 0.000 1.187 641 R HN 0.466 nan 8.270 nan 0.000 0.440 642 V N 5.993 125.852 119.914 -0.093 0.000 2.370 642 V HA 0.501 4.608 4.120 -0.022 0.000 0.283 642 V C -0.326 175.722 176.094 -0.078 0.000 1.023 642 V CA -0.630 61.615 62.300 -0.090 0.000 0.857 642 V CB 1.428 33.197 31.823 -0.090 0.000 0.985 642 V HN 0.569 nan 8.190 nan 0.000 0.443 643 I N 5.014 125.534 120.570 -0.083 0.000 2.498 643 I HA 0.411 4.568 4.170 -0.022 0.000 0.290 643 I C -0.671 175.418 176.117 -0.046 0.000 1.032 643 I CA -0.768 60.492 61.300 -0.066 0.000 1.073 643 I CB 1.827 39.759 38.000 -0.113 0.000 1.251 643 I HN 0.558 nan 8.210 nan 0.000 0.426 644 F N 6.692 126.577 119.950 -0.108 0.000 2.391 644 F HA 0.454 4.968 4.527 -0.021 0.000 0.359 644 F C -0.193 175.545 175.800 -0.104 0.000 1.122 644 F CA -0.532 57.406 58.000 -0.103 0.000 1.120 644 F CB 0.781 39.725 39.000 -0.093 0.000 1.142 644 F HN 0.261 nan 8.300 nan 0.000 0.483 645 L N 6.528 127.351 121.223 -0.666 0.000 2.433 645 L HA 0.146 4.473 4.340 -0.022 0.000 0.284 645 L C 0.555 177.195 176.870 -0.383 0.000 1.120 645 L CA -0.078 54.508 54.840 -0.423 0.000 0.879 645 L CB 0.127 42.014 42.059 -0.286 0.000 1.232 645 L HN 0.647 nan 8.230 nan 0.000 0.454 646 E N 4.581 124.703 120.200 -0.130 0.000 2.413 646 E HA -0.132 4.205 4.350 -0.022 0.000 0.263 646 E C 0.369 177.040 176.600 0.119 0.000 1.015 646 E CA -0.348 56.122 56.400 0.117 0.000 0.916 646 E CB 0.410 30.188 29.700 0.130 0.000 0.947 646 E HN 0.568 nan 8.360 nan 0.000 0.440 647 N N 2.534 121.363 118.700 0.215 0.000 2.714 647 N HA -0.278 4.449 4.740 -0.022 0.000 0.253 647 N C -1.563 174.047 175.510 0.167 0.000 1.024 647 N CA 0.621 53.784 53.050 0.189 0.000 0.726 647 N CB -1.635 36.976 38.487 0.207 0.000 0.908 647 N HN 0.512 nan 8.380 nan 0.000 0.542 648 Y N 1.743 122.055 120.300 0.021 0.000 2.620 648 Y HA 0.235 4.772 4.550 -0.022 0.000 0.330 648 Y C 1.072 176.996 175.900 0.040 0.000 1.186 648 Y CA 0.333 58.432 58.100 -0.002 0.000 1.467 648 Y CB 0.378 38.803 38.460 -0.057 0.000 1.262 648 Y HN 0.376 nan 8.280 nan 0.000 0.550 649 R N 2.831 123.016 120.500 -0.526 0.000 2.762 649 R HA 0.432 4.759 4.340 -0.022 0.000 0.271 649 R C -0.356 175.616 176.300 -0.548 0.000 1.038 649 R CA -0.561 55.295 56.100 -0.406 0.000 0.906 649 R CB 0.412 30.688 30.300 -0.040 0.000 1.259 649 R HN 0.416 nan 8.270 nan 0.000 0.457 650 V N 1.202 120.807 119.914 -0.516 0.000 2.282 650 V HA -0.311 3.796 4.120 -0.022 0.000 0.249 650 V C 2.655 178.636 176.094 -0.188 0.000 1.057 650 V CA 2.967 65.030 62.300 -0.395 0.000 1.032 650 V CB -0.869 30.647 31.823 -0.512 0.000 0.645 650 V HN 0.944 nan 8.190 nan 0.000 0.447 651 S N 0.004 115.612 115.700 -0.152 0.000 2.400 651 S HA -0.200 4.257 4.470 -0.022 0.000 0.232 651 S C 1.928 176.483 174.600 -0.076 0.000 1.025 651 S CA 1.817 59.953 58.200 -0.107 0.000 0.993 651 S CB -0.534 62.633 63.200 -0.056 0.000 0.808 651 S HN 0.397 nan 8.310 nan 0.000 0.478 652 L N 1.854 123.047 121.223 -0.051 0.000 2.131 652 L HA 0.361 4.688 4.340 -0.022 0.000 0.206 652 L C 2.678 179.578 176.870 0.051 0.000 1.087 652 L CA 1.349 56.209 54.840 0.034 0.000 0.767 652 L CB -1.302 40.841 42.059 0.139 0.000 0.917 652 L HN 0.356 nan 8.230 nan 0.000 0.441 653 A N -0.700 122.133 122.820 0.021 0.000 1.940 653 A HA -0.227 4.080 4.320 -0.022 0.000 0.219 653 A C 2.109 179.768 177.584 0.125 0.000 1.176 653 A CA 1.795 53.909 52.037 0.128 0.000 0.631 653 A CB -0.601 18.452 19.000 0.089 0.000 0.814 653 A HN 0.596 nan 8.150 nan 0.000 0.446 654 E N -0.706 119.563 120.200 0.115 0.000 2.409 654 E HA -0.120 4.216 4.350 -0.022 0.000 0.198 654 E C 1.747 178.326 176.600 -0.035 0.000 1.024 654 E CA 0.861 57.283 56.400 0.037 0.000 0.861 654 E CB 0.010 29.618 29.700 -0.154 0.000 0.788 654 E HN 0.607 nan 8.360 nan 0.000 0.521 655 K N -0.063 120.303 120.400 -0.057 0.000 2.161 655 K HA 0.036 4.343 4.320 -0.022 0.000 0.205 655 K C 2.103 178.575 176.600 -0.214 0.000 1.035 655 K CA 0.309 56.557 56.287 -0.065 0.000 0.970 655 K CB -0.046 32.422 32.500 -0.054 0.000 0.866 655 K HN -0.066 nan 8.250 nan 0.000 0.461 656 V N 2.219 121.884 119.914 -0.413 0.000 2.358 656 V HA -0.174 3.933 4.120 -0.022 0.000 0.246 656 V C 1.951 177.763 176.094 -0.469 0.000 1.047 656 V CA 1.436 63.194 62.300 -0.903 0.000 1.035 656 V CB -0.224 31.161 31.823 -0.730 0.000 0.658 656 V HN 0.282 nan 8.190 nan 0.000 0.452 657 I N 0.849 121.206 120.570 -0.355 0.000 2.208 657 I HA -0.147 4.010 4.170 -0.022 0.000 0.245 657 I C -0.289 175.679 176.117 -0.249 0.000 1.097 657 I CA 1.734 62.735 61.300 -0.497 0.000 1.363 657 I CB -1.686 35.892 38.000 -0.704 0.000 1.051 657 I HN 0.412 nan 8.210 nan 0.000 0.413 658 P HA -0.040 nan 4.420 nan 0.000 0.233 658 P C 0.742 178.040 177.300 -0.004 0.000 1.167 658 P CA 0.917 63.987 63.100 -0.050 0.000 0.770 658 P CB 0.085 31.771 31.700 -0.023 0.000 0.837 659 A N -1.199 121.608 122.820 -0.023 0.000 2.387 659 A HA 0.572 4.879 4.320 -0.022 0.000 0.234 659 A C 1.050 178.760 177.584 0.211 0.000 1.253 659 A CA -0.091 52.002 52.037 0.092 0.000 0.894 659 A CB -0.494 18.594 19.000 0.147 0.000 0.963 659 A HN 0.185 nan 8.150 nan 0.000 0.508 660 A N -0.442 122.480 122.820 0.171 0.000 2.302 660 A HA 0.532 4.839 4.320 -0.022 0.000 0.285 660 A C 0.341 178.081 177.584 0.260 0.000 1.105 660 A CA -0.183 52.021 52.037 0.279 0.000 0.816 660 A CB 0.468 19.735 19.000 0.445 0.000 1.067 660 A HN 0.235 nan 8.150 nan 0.000 0.489 661 D N -0.251 120.301 120.400 0.252 0.000 2.597 661 D HA 0.128 4.755 4.640 -0.022 0.000 0.261 661 D C -0.388 176.135 176.300 0.372 0.000 1.023 661 D CA 0.673 54.876 54.000 0.337 0.000 0.927 661 D CB 0.330 41.239 40.800 0.181 0.000 1.168 661 D HN 0.339 nan 8.370 nan 0.000 0.491 662 L N 0.944 122.264 121.223 0.161 0.000 2.356 662 L HA 0.370 4.697 4.340 -0.022 0.000 0.277 662 L C -0.667 176.072 176.870 -0.218 0.000 0.996 662 L CA -0.512 54.341 54.840 0.022 0.000 0.822 662 L CB 1.960 44.010 42.059 -0.015 0.000 1.256 662 L HN -0.229 nan 8.230 nan 0.000 0.413 663 S N 4.473 119.951 115.700 -0.370 0.000 2.422 663 S HA 0.469 4.926 4.470 -0.022 0.000 0.308 663 S C -0.523 173.776 174.600 -0.502 0.000 1.097 663 S CA -0.677 57.047 58.200 -0.795 0.000 1.099 663 S CB 0.454 63.096 63.200 -0.930 0.000 0.976 663 S HN 0.644 nan 8.310 nan 0.000 0.471 664 E N 3.774 123.693 120.200 -0.468 0.000 2.194 664 E HA 0.231 4.568 4.350 -0.022 0.000 0.284 664 E C -0.449 176.025 176.600 -0.209 0.000 1.035 664 E CA -0.313 55.941 56.400 -0.243 0.000 0.836 664 E CB 0.993 30.581 29.700 -0.186 0.000 1.070 664 E HN 0.632 nan 8.360 nan 0.000 0.401 665 Q N 2.726 122.469 119.800 -0.094 0.000 3.394 665 Q HA 0.231 4.558 4.340 -0.022 0.000 0.285 665 Q C 0.518 176.517 176.000 -0.003 0.000 0.866 665 Q CA -0.063 55.703 55.803 -0.063 0.000 0.844 665 Q CB 0.218 28.931 28.738 -0.041 0.000 1.472 665 Q HN 0.627 nan 8.270 nan 0.000 0.401 666 I N -1.585 118.970 120.570 -0.025 0.000 3.850 666 I HA 0.254 4.411 4.170 -0.022 0.000 0.333 666 I C 0.525 176.595 176.117 -0.079 0.000 1.511 666 I CA -0.557 60.739 61.300 -0.007 0.000 1.199 666 I CB 0.144 38.126 38.000 -0.030 0.000 1.217 666 I HN 0.021 nan 8.210 nan 0.000 0.423 667 S N 0.611 116.266 115.700 -0.075 0.000 2.573 667 S HA 0.160 4.617 4.470 -0.022 0.000 0.277 667 S C 0.559 175.146 174.600 -0.021 0.000 1.346 667 S CA -0.271 57.905 58.200 -0.041 0.000 1.034 667 S CB 0.420 63.646 63.200 0.043 0.000 0.879 667 S HN 0.398 nan 8.310 nan 0.000 0.528 668 T N 2.737 117.318 114.554 0.046 0.000 2.928 668 T HA 0.375 4.712 4.350 -0.022 0.000 0.305 668 T C 0.738 175.449 174.700 0.018 0.000 1.035 668 T CA 0.301 62.428 62.100 0.044 0.000 1.145 668 T CB 0.050 69.022 68.868 0.174 0.000 0.963 668 T HN 1.037 nan 8.240 nan 0.000 0.545 669 A N 2.577 125.372 122.820 -0.043 0.000 2.561 669 A HA 0.448 4.755 4.320 -0.022 0.000 0.251 669 A C 1.644 179.218 177.584 -0.016 0.000 1.062 669 A CA 0.301 52.310 52.037 -0.047 0.000 0.761 669 A CB -1.017 17.940 19.000 -0.072 0.000 0.986 669 A HN 1.670 nan 8.150 nan 0.000 0.510 670 G N 1.616 110.409 108.800 -0.011 0.000 2.176 670 G HA2 -0.258 3.689 3.960 -0.022 0.000 0.232 670 G HA3 -0.258 3.689 3.960 -0.022 0.000 0.232 670 G C 0.916 175.811 174.900 -0.009 0.000 0.986 670 G CA 1.090 46.186 45.100 -0.007 0.000 0.643 670 G HN 1.929 nan 8.290 nan 0.000 0.522 671 T N -2.317 112.236 114.554 -0.000 0.000 3.023 671 T HA 0.396 4.733 4.350 -0.022 0.000 0.249 671 T C 0.791 175.373 174.700 -0.196 0.000 1.050 671 T CA 1.122 63.169 62.100 -0.089 0.000 1.088 671 T CB 0.554 69.427 68.868 0.008 0.000 0.946 671 T HN 0.313 nan 8.240 nan 0.000 0.480 672 E N 1.398 121.596 120.200 -0.003 0.000 1.993 672 E HA 0.670 5.007 4.350 -0.022 0.000 0.271 672 E C 1.241 177.802 176.600 -0.065 0.000 1.008 672 E CA 0.013 56.441 56.400 0.047 0.000 0.814 672 E CB 0.592 30.375 29.700 0.140 0.000 1.098 672 E HN 0.310 nan 8.360 nan 0.000 0.407 673 A N 3.384 126.085 122.820 -0.198 0.000 1.929 673 A HA -0.291 4.016 4.320 -0.022 0.000 0.221 673 A C 2.006 179.455 177.584 -0.225 0.000 1.211 673 A CA 2.537 54.306 52.037 -0.447 0.000 0.657 673 A CB -0.370 18.137 19.000 -0.821 0.000 0.827 673 A HN 0.615 nan 8.150 nan 0.000 0.462 674 S N -4.351 111.281 115.700 -0.113 0.000 3.916 674 S HA 0.445 4.902 4.470 -0.022 0.000 0.231 674 S C 0.675 175.268 174.600 -0.011 0.000 1.161 674 S CA 1.346 59.528 58.200 -0.030 0.000 0.938 674 S CB -0.152 63.052 63.200 0.006 0.000 1.170 674 S HN 2.384 nan 8.310 nan 0.000 0.508 675 G N 0.319 109.118 108.800 -0.003 0.000 2.705 675 G HA2 -0.028 3.919 3.960 -0.022 0.000 0.686 675 G HA3 -0.028 3.919 3.960 -0.022 0.000 0.686 675 G C 0.216 175.101 174.900 -0.024 0.000 1.285 675 G CA 0.439 45.535 45.100 -0.007 0.000 0.800 675 G HN 1.337 nan 8.290 nan 0.000 0.611 676 T N -1.932 112.593 114.554 -0.047 0.000 3.029 676 T HA 0.381 4.718 4.350 -0.022 0.000 0.256 676 T C 2.317 176.922 174.700 -0.159 0.000 0.914 676 T CA 1.214 63.258 62.100 -0.095 0.000 0.880 676 T CB 0.329 69.132 68.868 -0.109 0.000 1.246 676 T HN 1.859 nan 8.240 nan 0.000 0.523 677 G N 3.339 112.077 108.800 -0.105 0.000 2.418 677 G HA2 -0.246 3.701 3.960 -0.022 0.000 0.217 677 G HA3 -0.246 3.701 3.960 -0.022 0.000 0.217 677 G C 1.558 176.506 174.900 0.081 0.000 1.158 677 G CA 1.269 46.329 45.100 -0.067 0.000 0.771 677 G HN 0.664 nan 8.290 nan 0.000 0.545 678 N N 1.065 119.791 118.700 0.044 0.000 2.094 678 N HA -0.166 4.561 4.740 -0.022 0.000 0.191 678 N C 2.016 177.524 175.510 -0.002 0.000 1.023 678 N CA 1.829 54.902 53.050 0.037 0.000 0.857 678 N CB -0.709 37.757 38.487 -0.035 0.000 1.013 678 N HN 0.402 nan 8.380 nan 0.000 0.426 679 M N 0.127 119.664 119.600 -0.105 0.000 2.175 679 M HA 0.009 4.476 4.480 -0.022 0.000 0.264 679 M C 2.021 178.268 176.300 -0.088 0.000 1.063 679 M CA 1.391 56.609 55.300 -0.136 0.000 1.119 679 M CB -0.163 32.368 32.600 -0.114 0.000 1.377 679 M HN 0.098 nan 8.290 nan 0.000 0.415 680 K N -0.011 120.269 120.400 -0.199 0.000 2.026 680 K HA -0.125 4.182 4.320 -0.022 0.000 0.208 680 K C 1.691 178.171 176.600 -0.200 0.000 1.048 680 K CA 1.473 57.569 56.287 -0.319 0.000 0.929 680 K CB -0.271 31.814 32.500 -0.692 0.000 0.713 680 K HN 0.136 nan 8.250 nan 0.000 0.439 681 F N 1.036 120.908 119.950 -0.130 0.000 2.134 681 F HA -0.163 4.350 4.527 -0.022 0.000 0.299 681 F C 2.574 178.343 175.800 -0.053 0.000 1.097 681 F CA 1.292 59.242 58.000 -0.084 0.000 1.264 681 F CB -0.313 38.627 39.000 -0.099 0.000 1.001 681 F HN 0.010 nan 8.300 nan 0.000 0.479 682 M N -0.375 119.305 119.600 0.133 0.000 2.108 682 M HA -0.215 4.252 4.480 -0.022 0.000 0.261 682 M C 2.140 178.488 176.300 0.079 0.000 1.066 682 M CA 1.647 56.997 55.300 0.083 0.000 1.107 682 M CB -0.292 32.348 32.600 0.068 0.000 1.356 682 M HN 0.273 nan 8.290 nan 0.000 0.406 683 L N 0.531 121.798 121.223 0.074 0.000 2.275 683 L HA -0.079 4.248 4.340 -0.022 0.000 0.215 683 L C 0.813 177.718 176.870 0.060 0.000 1.119 683 L CA 1.774 56.662 54.840 0.081 0.000 0.790 683 L CB -0.571 41.548 42.059 0.100 0.000 0.919 683 L HN 0.322 nan 8.230 nan 0.000 0.443 684 N N -0.246 118.481 118.700 0.045 0.000 2.235 684 N HA 0.327 5.054 4.740 -0.022 0.000 0.209 684 N C 0.639 176.177 175.510 0.047 0.000 1.122 684 N CA 0.636 53.706 53.050 0.033 0.000 0.845 684 N CB 0.577 39.058 38.487 -0.009 0.000 1.004 684 N HN 0.327 nan 8.380 nan 0.000 0.499 685 G N -0.377 108.455 108.800 0.053 0.000 2.142 685 G HA2 -0.133 3.814 3.960 -0.022 0.000 0.225 685 G HA3 -0.133 3.814 3.960 -0.022 0.000 0.225 685 G C -0.131 174.832 174.900 0.104 0.000 1.015 685 G CA 0.076 45.209 45.100 0.054 0.000 0.716 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.345 122.545 122.820 0.117 0.000 2.355 686 A HA 0.895 5.202 4.320 -0.022 0.000 0.324 686 A C 0.137 177.723 177.584 0.002 0.000 1.117 686 A CA -0.719 51.408 52.037 0.151 0.000 0.785 686 A CB 1.254 20.414 19.000 0.267 0.000 1.254 686 A HN 0.711 nan 8.150 nan 0.000 0.453 687 L N 1.111 122.295 121.223 -0.065 0.000 2.357 687 L HA 0.467 4.794 4.340 -0.022 0.000 0.273 687 L C 0.030 176.762 176.870 -0.231 0.000 1.080 687 L CA -0.418 54.277 54.840 -0.241 0.000 0.803 687 L CB 1.746 43.539 42.059 -0.443 0.000 1.174 687 L HN 0.720 nan 8.230 nan 0.000 0.443 688 T N 3.376 117.662 114.554 -0.446 0.000 2.794 688 T HA 0.472 4.809 4.350 -0.022 0.000 0.280 688 T C -0.337 174.179 174.700 -0.306 0.000 0.987 688 T CA -0.250 61.549 62.100 -0.500 0.000 0.993 688 T CB 1.685 70.064 68.868 -0.816 0.000 0.939 688 T HN 0.389 nan 8.240 nan 0.000 0.449 689 I N 2.759 123.256 120.570 -0.121 0.000 2.355 689 I HA 0.719 4.876 4.170 -0.022 0.000 0.288 689 I C 0.013 176.258 176.117 0.214 0.000 0.999 689 I CA 0.036 61.377 61.300 0.069 0.000 1.163 689 I CB 0.275 38.218 38.000 -0.094 0.000 1.316 689 I HN 0.791 nan 8.210 nan 0.000 0.454 690 G N 3.980 113.024 108.800 0.407 0.000 2.600 690 G HA2 0.477 4.424 3.960 -0.022 0.000 0.293 690 G HA3 0.477 4.424 3.960 -0.022 0.000 0.293 690 G C -0.937 173.999 174.900 0.059 0.000 1.408 690 G CA -0.373 44.925 45.100 0.331 0.000 0.782 690 G HN 0.561 nan 8.290 nan 0.000 0.482 691 T N -1.521 112.904 114.554 -0.215 0.000 2.847 691 T HA 0.514 4.851 4.350 -0.022 0.000 0.279 691 T C 0.686 175.297 174.700 -0.148 0.000 0.984 691 T CA -0.689 61.176 62.100 -0.392 0.000 0.988 691 T CB 1.155 69.783 68.868 -0.401 0.000 1.040 691 T HN 0.238 nan 8.240 nan 0.000 0.528 692 M N 2.649 122.162 119.600 -0.145 0.000 3.596 692 M HA 0.325 4.792 4.480 -0.022 0.000 0.219 692 M C -0.463 175.794 176.300 -0.071 0.000 1.471 692 M CA -0.221 55.028 55.300 -0.086 0.000 1.644 692 M CB -1.765 30.788 32.600 -0.079 0.000 1.083 692 M HN 0.690 nan 8.290 nan 0.000 0.579 693 D N -0.349 120.016 120.400 -0.057 0.000 2.433 693 D HA 0.668 5.295 4.640 -0.022 0.000 0.236 693 D C 0.861 177.148 176.300 -0.020 0.000 1.026 693 D CA 0.670 54.649 54.000 -0.036 0.000 0.884 693 D CB 1.796 42.578 40.800 -0.031 0.000 1.384 693 D HN 0.571 nan 8.370 nan 0.000 0.477 694 G N 1.864 110.660 108.800 -0.008 0.000 2.661 694 G HA2 -0.302 3.645 3.960 -0.022 0.000 0.327 694 G HA3 -0.302 3.645 3.960 -0.022 0.000 0.327 694 G C 1.031 175.932 174.900 0.003 0.000 1.320 694 G CA 1.290 46.390 45.100 -0.001 0.000 0.997 694 G HN 0.986 nan 8.290 nan 0.000 0.543 695 A N -0.314 122.504 122.820 -0.003 0.000 2.206 695 A HA 0.127 4.434 4.320 -0.022 0.000 0.211 695 A C 2.093 179.630 177.584 -0.079 0.000 1.158 695 A CA 1.770 53.803 52.037 -0.007 0.000 0.761 695 A CB -0.403 18.587 19.000 -0.016 0.000 0.801 695 A HN 0.587 nan 8.150 nan 0.000 0.473 696 N N 0.460 119.124 118.700 -0.060 0.000 2.149 696 N HA -0.143 4.584 4.740 -0.022 0.000 0.188 696 N C 1.591 177.005 175.510 -0.161 0.000 1.019 696 N CA 1.540 54.559 53.050 -0.051 0.000 0.857 696 N CB -0.527 37.978 38.487 0.029 0.000 0.997 696 N HN 0.284 nan 8.380 nan 0.000 0.426 697 V N 1.150 121.001 119.914 -0.105 0.000 2.287 697 V HA -0.210 3.897 4.120 -0.022 0.000 0.248 697 V C 1.932 177.958 176.094 -0.115 0.000 1.053 697 V CA 1.680 63.911 62.300 -0.114 0.000 1.027 697 V CB -0.459 31.330 31.823 -0.057 0.000 0.646 697 V HN 0.342 nan 8.190 nan 0.000 0.447 698 E N -0.714 119.474 120.200 -0.020 0.000 2.216 698 E HA -0.087 4.250 4.350 -0.022 0.000 0.192 698 E C 2.186 178.906 176.600 0.200 0.000 0.988 698 E CA 0.868 57.332 56.400 0.107 0.000 0.834 698 E CB -0.123 29.734 29.700 0.261 0.000 0.772 698 E HN 0.561 nan 8.360 nan 0.000 0.479 699 M N 0.083 119.663 119.600 -0.034 0.000 2.200 699 M HA -0.051 4.416 4.480 -0.022 0.000 0.265 699 M C 2.406 178.483 176.300 -0.371 0.000 1.066 699 M CA 1.197 56.422 55.300 -0.126 0.000 1.127 699 M CB -0.004 32.416 32.600 -0.300 0.000 1.379 699 M HN 0.116 nan 8.290 nan 0.000 0.420 700 A N -0.011 122.306 122.820 -0.838 0.000 1.930 700 A HA -0.180 4.127 4.320 -0.022 0.000 0.217 700 A C 2.024 179.393 177.584 -0.358 0.000 1.175 700 A CA 1.683 53.123 52.037 -0.995 0.000 0.627 700 A CB -0.686 17.744 19.000 -0.949 0.000 0.815 700 A HN 0.543 nan 8.150 nan 0.000 0.443 701 E N -0.386 119.687 120.200 -0.212 0.000 2.106 701 E HA -0.199 4.138 4.350 -0.022 0.000 0.192 701 E C 1.689 178.262 176.600 -0.046 0.000 0.984 701 E CA 1.161 57.503 56.400 -0.097 0.000 0.806 701 E CB -0.024 29.642 29.700 -0.057 0.000 0.750 701 E HN 0.547 nan 8.360 nan 0.000 0.458 702 E N -0.062 120.140 120.200 0.003 0.000 2.072 702 E HA -0.095 4.242 4.350 -0.022 0.000 0.190 702 E C 1.757 178.383 176.600 0.043 0.000 0.982 702 E CA 1.030 57.456 56.400 0.044 0.000 0.803 702 E CB -0.055 29.731 29.700 0.143 0.000 0.755 702 E HN 0.319 nan 8.360 nan 0.000 0.453 703 A N 0.357 123.203 122.820 0.044 0.000 2.081 703 A HA 0.372 4.679 4.320 -0.022 0.000 0.214 703 A C 1.036 178.635 177.584 0.025 0.000 1.158 703 A CA 1.032 53.109 52.037 0.067 0.000 0.724 703 A CB 0.100 19.195 19.000 0.159 0.000 0.826 703 A HN 0.235 nan 8.150 nan 0.000 0.463 704 G N -0.599 108.188 108.800 -0.023 0.000 3.055 704 G HA2 -0.097 3.850 3.960 -0.022 0.000 0.686 704 G HA3 -0.097 3.850 3.960 -0.022 0.000 0.686 704 G C -0.039 174.840 174.900 -0.036 0.000 1.087 704 G CA 0.028 45.108 45.100 -0.033 0.000 0.779 704 G HN 0.221 nan 8.290 nan 0.000 0.599 705 E N 0.319 120.484 120.200 -0.057 0.000 2.267 705 E HA -0.180 4.157 4.350 -0.022 0.000 0.197 705 E C 2.360 178.946 176.600 -0.024 0.000 0.998 705 E CA 1.289 57.667 56.400 -0.036 0.000 0.830 705 E CB 0.138 29.813 29.700 -0.042 0.000 0.751 705 E HN 0.743 nan 8.360 nan 0.000 0.491 706 E N 0.450 120.623 120.200 -0.045 0.000 2.347 706 E HA -0.148 4.189 4.350 -0.022 0.000 0.196 706 E C 0.855 177.373 176.600 -0.135 0.000 1.008 706 E CA 0.741 57.093 56.400 -0.081 0.000 0.852 706 E CB -0.005 29.662 29.700 -0.056 0.000 0.783 706 E HN 0.175 nan 8.360 nan 0.000 0.505 707 N N -0.415 118.235 118.700 -0.084 0.000 2.214 707 N HA 0.165 4.892 4.740 -0.022 0.000 0.214 707 N C -0.929 174.517 175.510 -0.106 0.000 1.132 707 N CA 0.002 52.983 53.050 -0.116 0.000 0.856 707 N CB 0.317 38.785 38.487 -0.031 0.000 1.020 707 N HN 0.042 nan 8.380 nan 0.000 0.509 708 F N -0.634 119.117 119.950 -0.331 0.000 2.639 708 F HA 0.468 4.982 4.527 -0.023 0.000 0.339 708 F C -0.737 174.807 175.800 -0.426 0.000 1.071 708 F CA -1.141 56.697 58.000 -0.271 0.000 0.994 708 F CB 1.284 40.215 39.000 -0.114 0.000 1.341 708 F HN -0.256 nan 8.300 nan 0.000 0.498 709 F N 3.785 123.753 119.950 0.030 0.000 2.531 709 F HA 0.378 4.892 4.527 -0.021 0.000 0.333 709 F C -0.554 175.389 175.800 0.239 0.000 1.292 709 F CA -0.619 57.424 58.000 0.072 0.000 1.184 709 F CB 0.164 39.131 39.000 -0.055 0.000 1.426 709 F HN -0.042 nan 8.300 nan 0.000 0.559 710 I N 2.994 123.807 120.570 0.406 0.000 2.472 710 I HA 0.338 4.495 4.170 -0.022 0.000 0.290 710 I C 0.011 176.347 176.117 0.365 0.000 1.016 710 I CA -0.415 61.090 61.300 0.341 0.000 1.348 710 I CB 0.664 38.774 38.000 0.182 0.000 1.417 710 I HN 0.353 nan 8.210 nan 0.000 0.521 711 F N 2.473 122.497 119.950 0.122 0.000 2.831 711 F HA 0.806 5.320 4.527 -0.022 0.000 0.318 711 F C 0.062 175.908 175.800 0.076 0.000 1.174 711 F CA -0.340 57.720 58.000 0.100 0.000 0.918 711 F CB 0.768 39.840 39.000 0.118 0.000 1.364 711 F HN 0.793 nan 8.300 nan 0.000 0.475 712 G N 0.945 109.774 108.800 0.049 0.000 2.804 712 G HA2 -0.133 3.814 3.960 -0.022 0.000 0.230 712 G HA3 -0.133 3.814 3.960 -0.022 0.000 0.230 712 G C -0.654 174.193 174.900 -0.089 0.000 1.386 712 G CA -0.383 44.667 45.100 -0.084 0.000 0.875 712 G HN 0.962 nan 8.290 nan 0.000 0.557 713 M N -0.205 119.353 119.600 -0.069 0.000 2.245 713 M HA 0.459 4.926 4.480 -0.022 0.000 0.330 713 M C 0.988 177.239 176.300 -0.082 0.000 1.098 713 M CA 0.234 55.508 55.300 -0.044 0.000 1.172 713 M CB 0.511 33.094 32.600 -0.029 0.000 1.467 713 M HN 0.580 nan 8.290 nan 0.000 0.454 714 R N 0.251 120.721 120.500 -0.050 0.000 2.705 714 R HA 0.391 4.718 4.340 -0.022 0.000 0.246 714 R C 0.966 177.240 176.300 -0.043 0.000 1.142 714 R CA -0.565 55.503 56.100 -0.053 0.000 1.114 714 R CB 0.473 30.752 30.300 -0.036 0.000 1.256 714 R HN 0.550 nan 8.270 nan 0.000 0.536 715 V N 1.220 121.110 119.914 -0.040 0.000 2.324 715 V HA -0.273 3.834 4.120 -0.022 0.000 0.250 715 V C 1.448 177.526 176.094 -0.027 0.000 1.060 715 V CA 2.189 64.468 62.300 -0.034 0.000 1.042 715 V CB -0.520 31.283 31.823 -0.033 0.000 0.650 715 V HN 0.664 nan 8.190 nan 0.000 0.450 716 E N 0.233 120.420 120.200 -0.021 0.000 2.077 716 E HA -0.200 4.137 4.350 -0.022 0.000 0.193 716 E C 1.917 178.515 176.600 -0.004 0.000 0.989 716 E CA 1.488 57.880 56.400 -0.012 0.000 0.800 716 E CB -0.391 29.304 29.700 -0.009 0.000 0.746 716 E HN 0.623 nan 8.360 nan 0.000 0.452 717 D N 0.249 120.647 120.400 -0.002 0.000 2.178 717 D HA -0.098 4.529 4.640 -0.022 0.000 0.202 717 D C 1.981 178.286 176.300 0.008 0.000 0.974 717 D CA 0.774 54.782 54.000 0.012 0.000 0.841 717 D CB -0.038 40.773 40.800 0.018 0.000 0.953 717 D HN 0.067 nan 8.370 nan 0.000 0.478 718 V N 1.763 121.667 119.914 -0.016 0.000 2.307 718 V HA -0.190 3.917 4.120 -0.022 0.000 0.245 718 V C 1.938 178.018 176.094 -0.025 0.000 1.045 718 V CA 1.641 63.919 62.300 -0.037 0.000 1.024 718 V CB -0.303 31.490 31.823 -0.050 0.000 0.651 718 V HN 0.016 nan 8.190 nan 0.000 0.449 719 D N -0.196 120.194 120.400 -0.017 0.000 2.117 719 D HA -0.143 4.484 4.640 -0.022 0.000 0.197 719 D C 2.399 178.702 176.300 0.005 0.000 0.987 719 D CA 1.162 55.156 54.000 -0.011 0.000 0.829 719 D CB -0.238 40.553 40.800 -0.013 0.000 0.961 719 D HN 0.330 nan 8.370 nan 0.000 0.460 720 R N 0.089 120.597 120.500 0.014 0.000 2.081 720 R HA 0.006 4.333 4.340 -0.022 0.000 0.235 720 R C 2.479 178.806 176.300 0.045 0.000 1.131 720 R CA 0.428 56.544 56.100 0.027 0.000 0.960 720 R CB -0.332 29.987 30.300 0.031 0.000 0.856 720 R HN 0.190 nan 8.270 nan 0.000 0.436 721 L N 0.720 121.977 121.223 0.056 0.000 2.131 721 L HA -0.208 4.119 4.340 -0.022 0.000 0.210 721 L C 1.280 178.203 176.870 0.088 0.000 1.092 721 L CA 1.315 56.213 54.840 0.097 0.000 0.759 721 L CB -0.234 41.890 42.059 0.108 0.000 0.903 721 L HN 0.223 nan 8.230 nan 0.000 0.435 722 D N -0.722 119.705 120.400 0.044 0.000 2.183 722 D HA -0.163 4.464 4.640 -0.022 0.000 0.203 722 D C 2.211 178.533 176.300 0.037 0.000 0.969 722 D CA 0.854 54.875 54.000 0.034 0.000 0.842 722 D CB 0.091 40.891 40.800 0.000 0.000 0.957 722 D HN 0.425 nan 8.370 nan 0.000 0.484 723 Q N 0.052 119.872 119.800 0.033 0.000 2.046 723 Q HA -0.136 4.191 4.340 -0.022 0.000 0.200 723 Q C 2.207 178.228 176.000 0.035 0.000 0.975 723 Q CA 1.321 57.141 55.803 0.028 0.000 0.836 723 Q CB 0.002 28.753 28.738 0.023 0.000 0.896 723 Q HN 0.272 nan 8.270 nan 0.000 0.428 724 R N -0.425 120.103 120.500 0.047 0.000 2.161 724 R HA 0.176 4.503 4.340 -0.022 0.000 0.213 724 R C 0.247 176.582 176.300 0.057 0.000 1.055 724 R CA 0.961 57.090 56.100 0.048 0.000 0.996 724 R CB 0.189 30.520 30.300 0.052 0.000 0.901 724 R HN 0.096 nan 8.270 nan 0.000 0.456 725 G N 0.076 108.924 108.800 0.080 0.000 3.226 725 G HA2 -0.165 3.782 3.960 -0.022 0.000 0.685 725 G HA3 -0.165 3.782 3.960 -0.022 0.000 0.685 725 G C -1.719 173.273 174.900 0.154 0.000 1.207 725 G CA -0.440 44.716 45.100 0.093 0.000 0.877 725 G HN 0.271 nan 8.290 nan 0.000 0.585 726 Y N 3.409 123.726 120.300 0.029 0.000 2.436 726 Y HA 0.618 5.155 4.550 -0.022 0.000 0.343 726 Y C 0.136 176.063 175.900 0.045 0.000 1.008 726 Y CA -1.414 56.716 58.100 0.050 0.000 1.241 726 Y CB 1.140 39.606 38.460 0.009 0.000 1.153 726 Y HN 0.573 nan 8.280 nan 0.000 0.521 727 N N 4.913 123.414 118.700 -0.333 0.000 2.564 727 N HA 0.303 5.030 4.740 -0.022 0.000 0.248 727 N C 0.172 175.427 175.510 -0.426 0.000 0.986 727 N CA 0.276 53.123 53.050 -0.339 0.000 0.921 727 N CB 1.368 39.788 38.487 -0.112 0.000 1.136 727 N HN 0.806 nan 8.380 nan 0.000 0.509 728 A N 2.989 125.402 122.820 -0.678 0.000 2.067 728 A HA -0.160 4.147 4.320 -0.022 0.000 0.219 728 A C 1.830 179.502 177.584 0.146 0.000 1.158 728 A CA 1.277 53.127 52.037 -0.312 0.000 0.661 728 A CB -0.255 18.442 19.000 -0.506 0.000 0.801 728 A HN 0.737 nan 8.150 nan 0.000 0.452 729 Q N 0.196 119.976 119.800 -0.033 0.000 2.170 729 Q HA -0.189 4.138 4.340 -0.022 0.000 0.203 729 Q C 1.866 177.954 176.000 0.147 0.000 0.976 729 Q CA 1.910 57.741 55.803 0.046 0.000 0.858 729 Q CB -0.256 28.443 28.738 -0.065 0.000 0.907 729 Q HN 0.763 nan 8.270 nan 0.000 0.433 730 E N -1.174 119.077 120.200 0.085 0.000 2.110 730 E HA -0.222 4.115 4.350 -0.022 0.000 0.193 730 E C 1.243 177.835 176.600 -0.014 0.000 0.988 730 E CA 1.288 57.686 56.400 -0.003 0.000 0.804 730 E CB -0.102 29.529 29.700 -0.115 0.000 0.745 730 E HN 0.570 nan 8.360 nan 0.000 0.458 731 Y N -1.243 119.130 120.300 0.121 0.000 2.337 731 Y HA -0.142 4.394 4.550 -0.022 0.000 0.293 731 Y C 2.052 177.963 175.900 0.018 0.000 1.123 731 Y CA 1.261 59.423 58.100 0.104 0.000 1.201 731 Y CB -0.556 38.023 38.460 0.198 0.000 1.011 731 Y HN 0.213 nan 8.280 nan 0.000 0.545 732 Y N 1.357 121.716 120.300 0.098 0.000 2.145 732 Y HA -0.259 4.278 4.550 -0.022 0.000 0.286 732 Y C 1.852 177.729 175.900 -0.038 0.000 1.145 732 Y CA 1.932 60.006 58.100 -0.044 0.000 1.148 732 Y CB -0.334 38.160 38.460 0.057 0.000 0.981 732 Y HN 0.047 nan 8.280 nan 0.000 0.507 733 D N -0.187 120.305 120.400 0.155 0.000 2.219 733 D HA -0.103 4.524 4.640 -0.022 0.000 0.205 733 D C 1.842 178.113 176.300 -0.048 0.000 0.970 733 D CA 1.216 55.240 54.000 0.040 0.000 0.851 733 D CB -0.166 40.686 40.800 0.087 0.000 0.943 733 D HN 0.452 nan 8.370 nan 0.000 0.488 734 R N -0.399 120.074 120.500 -0.044 0.000 2.334 734 R HA 0.306 4.633 4.340 -0.022 0.000 0.212 734 R C 0.293 176.565 176.300 -0.046 0.000 0.897 734 R CA 0.094 56.164 56.100 -0.050 0.000 1.056 734 R CB 0.980 31.244 30.300 -0.061 0.000 1.046 734 R HN 0.098 nan 8.270 nan 0.000 0.513 735 I N 1.280 121.802 120.570 -0.079 0.000 2.495 735 I HA 0.234 4.391 4.170 -0.022 0.000 0.277 735 I C -2.034 173.989 176.117 -0.158 0.000 1.045 735 I CA -2.381 58.879 61.300 -0.066 0.000 1.135 735 I CB 2.016 40.014 38.000 -0.003 0.000 1.241 735 I HN -0.270 nan 8.210 nan 0.000 0.469 736 P HA -0.207 nan 4.420 nan 0.000 0.216 736 P C 1.227 178.438 177.300 -0.148 0.000 1.157 736 P CA 1.548 64.561 63.100 -0.145 0.000 0.880 736 P CB 0.322 31.970 31.700 -0.087 0.000 0.791 737 E N -1.287 118.866 120.200 -0.080 0.000 2.153 737 E HA -0.164 4.173 4.350 -0.022 0.000 0.194 737 E C 1.858 178.370 176.600 -0.145 0.000 0.988 737 E CA 0.590 56.961 56.400 -0.048 0.000 0.811 737 E CB -0.551 29.196 29.700 0.077 0.000 0.746 737 E HN 0.095 nan 8.360 nan 0.000 0.466 738 L N 1.080 122.129 121.223 -0.289 0.000 2.072 738 L HA -0.111 4.216 4.340 -0.022 0.000 0.205 738 L C 2.125 178.746 176.870 -0.415 0.000 1.079 738 L CA 1.593 56.100 54.840 -0.554 0.000 0.752 738 L CB -0.199 41.391 42.059 -0.781 0.000 0.906 738 L HN -0.082 nan 8.230 nan 0.000 0.436 739 R N -0.808 119.413 120.500 -0.466 0.000 2.083 739 R HA -0.240 4.087 4.340 -0.022 0.000 0.237 739 R C 2.295 178.461 176.300 -0.224 0.000 1.137 739 R CA 1.945 57.703 56.100 -0.571 0.000 0.951 739 R CB -0.444 29.430 30.300 -0.710 0.000 0.851 739 R HN 0.579 nan 8.270 nan 0.000 0.434 740 Q N 0.809 120.502 119.800 -0.180 0.000 2.096 740 Q HA -0.192 4.135 4.340 -0.022 0.000 0.204 740 Q C 2.059 178.028 176.000 -0.052 0.000 0.982 740 Q CA 1.600 57.340 55.803 -0.104 0.000 0.850 740 Q CB -0.083 28.593 28.738 -0.103 0.000 0.901 740 Q HN 0.378 nan 8.270 nan 0.000 0.422 741 I N 0.655 121.195 120.570 -0.051 0.000 2.179 741 I HA -0.294 3.863 4.170 -0.022 0.000 0.242 741 I C 2.210 178.375 176.117 0.081 0.000 1.088 741 I CA 0.701 62.015 61.300 0.023 0.000 1.357 741 I CB -0.326 37.656 38.000 -0.030 0.000 1.051 741 I HN 0.298 nan 8.210 nan 0.000 0.409 742 I N 0.866 121.482 120.570 0.078 0.000 2.208 742 I HA -0.264 3.893 4.170 -0.022 0.000 0.245 742 I C 2.453 178.684 176.117 0.190 0.000 1.097 742 I CA 1.729 63.140 61.300 0.186 0.000 1.363 742 I CB -1.340 36.864 38.000 0.340 0.000 1.051 742 I HN 0.359 nan 8.210 nan 0.000 0.413 743 E N 0.319 120.610 120.200 0.151 0.000 2.153 743 E HA -0.242 4.095 4.350 -0.022 0.000 0.194 743 E C 2.182 178.850 176.600 0.113 0.000 0.988 743 E CA 0.970 57.444 56.400 0.124 0.000 0.811 743 E CB -0.105 29.634 29.700 0.064 0.000 0.746 743 E HN 0.600 nan 8.360 nan 0.000 0.466 744 Q N 0.349 120.210 119.800 0.102 0.000 2.046 744 Q HA -0.112 4.215 4.340 -0.022 0.000 0.200 744 Q C 2.364 178.576 176.000 0.353 0.000 0.975 744 Q CA 0.918 56.802 55.803 0.135 0.000 0.836 744 Q CB -0.015 28.775 28.738 0.087 0.000 0.896 744 Q HN 0.288 nan 8.270 nan 0.000 0.428 745 L N -0.108 121.331 121.223 0.361 0.000 2.017 745 L HA -0.200 4.127 4.340 -0.022 0.000 0.208 745 L C 2.496 179.568 176.870 0.337 0.000 1.073 745 L CA 1.018 56.082 54.840 0.372 0.000 0.745 745 L CB -0.392 41.788 42.059 0.203 0.000 0.894 745 L HN 0.120 nan 8.230 nan 0.000 0.432 746 S N -0.911 114.938 115.700 0.249 0.000 2.382 746 S HA -0.163 4.294 4.470 -0.022 0.000 0.228 746 S C 2.213 176.924 174.600 0.184 0.000 1.027 746 S CA 1.384 59.707 58.200 0.204 0.000 0.991 746 S CB -0.099 63.201 63.200 0.167 0.000 0.823 746 S HN 0.307 nan 8.310 nan 0.000 0.469 747 S N -0.282 115.529 115.700 0.185 0.000 2.399 747 S HA 0.092 4.549 4.470 -0.022 0.000 0.231 747 S C 1.566 176.268 174.600 0.170 0.000 1.022 747 S CA 1.062 59.357 58.200 0.158 0.000 0.983 747 S CB -0.217 63.071 63.200 0.147 0.000 0.803 747 S HN 0.801 nan 8.310 nan 0.000 0.480 748 G N -0.157 108.778 108.800 0.226 0.000 2.138 748 G HA2 -0.241 3.706 3.960 -0.022 0.000 0.193 748 G HA3 -0.241 3.706 3.960 -0.022 0.000 0.193 748 G C 0.479 175.484 174.900 0.174 0.000 0.998 748 G CA 0.169 45.386 45.100 0.195 0.000 0.668 748 G HN 0.470 nan 8.290 nan 0.000 0.516 749 F N 0.409 120.372 119.950 0.022 0.000 2.269 749 F HA 0.275 4.789 4.527 -0.022 0.000 0.301 749 F C 1.644 177.233 175.800 -0.353 0.000 1.082 749 F CA 1.449 59.335 58.000 -0.190 0.000 1.360 749 F CB -0.017 38.800 39.000 -0.305 0.000 1.041 749 F HN 0.157 nan 8.300 nan 0.000 0.512 750 F N -0.391 119.630 119.950 0.118 0.000 2.639 750 F HA 0.229 4.743 4.527 -0.022 0.000 0.302 750 F C 0.584 176.479 175.800 0.158 0.000 1.097 750 F CA 0.226 58.255 58.000 0.047 0.000 1.294 750 F CB -0.052 38.998 39.000 0.082 0.000 1.027 750 F HN -0.001 nan 8.300 nan 0.000 0.550 751 S N -1.687 114.140 115.700 0.212 0.000 2.730 751 S HA 0.206 4.663 4.470 -0.022 0.000 0.150 751 S C -2.309 172.315 174.600 0.039 0.000 1.139 751 S CA -0.799 57.466 58.200 0.110 0.000 1.155 751 S CB 0.357 63.589 63.200 0.053 0.000 1.682 751 S HN -0.140 nan 8.310 nan 0.000 0.452 752 P HA -0.137 nan 4.420 nan 0.000 0.216 752 P C 0.892 178.190 177.300 -0.003 0.000 1.150 752 P CA 1.447 64.537 63.100 -0.015 0.000 0.843 752 P CB 0.032 31.697 31.700 -0.058 0.000 0.787 753 K N -0.922 119.474 120.400 -0.007 0.000 2.365 753 K HA -0.020 4.287 4.320 -0.022 0.000 0.199 753 K C 1.444 178.045 176.600 0.002 0.000 1.045 753 K CA 0.670 56.955 56.287 -0.003 0.000 0.962 753 K CB -0.031 32.468 32.500 -0.003 0.000 0.759 753 K HN 0.230 nan 8.250 nan 0.000 0.469 754 Q N -0.473 119.328 119.800 0.001 0.000 3.605 754 Q HA 0.158 4.485 4.340 -0.022 0.000 0.222 754 Q C -2.350 173.651 176.000 0.001 0.000 0.915 754 Q CA -1.657 54.144 55.803 -0.004 0.000 0.731 754 Q CB 0.988 29.716 28.738 -0.016 0.000 1.423 754 Q HN -0.110 nan 8.270 nan 0.000 0.446 755 P HA -0.216 nan 4.420 nan 0.000 0.218 755 P C 0.483 177.829 177.300 0.077 0.000 1.152 755 P CA 1.670 64.808 63.100 0.062 0.000 0.857 755 P CB 0.209 31.944 31.700 0.058 0.000 0.787 756 D N -1.656 118.772 120.400 0.047 0.000 2.342 756 D HA -0.012 4.615 4.640 -0.022 0.000 0.221 756 D C 1.578 177.890 176.300 0.021 0.000 1.101 756 D CA -0.236 53.799 54.000 0.058 0.000 0.837 756 D CB -0.954 39.877 40.800 0.051 0.000 0.938 756 D HN 0.029 nan 8.370 nan 0.000 0.508 757 L N -0.148 121.032 121.223 -0.071 0.000 2.089 757 L HA -0.104 4.223 4.340 -0.022 0.000 0.213 757 L C 1.020 177.709 176.870 -0.301 0.000 1.079 757 L CA 1.672 56.368 54.840 -0.240 0.000 0.758 757 L CB -0.607 41.170 42.059 -0.470 0.000 0.891 757 L HN -0.051 nan 8.230 nan 0.000 0.433 758 F N -0.055 119.950 119.950 0.092 0.000 2.645 758 F HA 0.161 4.676 4.527 -0.021 0.000 0.300 758 F C 1.924 177.777 175.800 0.088 0.000 1.115 758 F CA 0.120 58.163 58.000 0.072 0.000 1.355 758 F CB -0.767 38.264 39.000 0.052 0.000 1.026 758 F HN 0.182 nan 8.300 nan 0.000 0.536 759 K N -0.390 120.133 120.400 0.205 0.000 2.211 759 K HA -0.204 4.103 4.320 -0.022 0.000 0.204 759 K C 0.860 177.564 176.600 0.172 0.000 1.047 759 K CA 2.035 58.425 56.287 0.171 0.000 0.935 759 K CB -0.228 32.345 32.500 0.121 0.000 0.728 759 K HN 0.082 nan 8.250 nan 0.000 0.452 760 D N 1.232 121.745 120.400 0.188 0.000 2.149 760 D HA -0.027 4.600 4.640 -0.022 0.000 0.201 760 D C 1.981 178.386 176.300 0.175 0.000 0.972 760 D CA 0.963 55.080 54.000 0.196 0.000 0.835 760 D CB -0.051 40.919 40.800 0.282 0.000 0.966 760 D HN 0.288 nan 8.370 nan 0.000 0.476 761 I N 0.099 120.774 120.570 0.176 0.000 2.252 761 I HA -0.194 3.963 4.170 -0.022 0.000 0.245 761 I C 2.280 178.468 176.117 0.118 0.000 1.102 761 I CA 0.491 61.866 61.300 0.126 0.000 1.385 761 I CB -0.083 37.980 38.000 0.106 0.000 1.064 761 I HN -0.105 nan 8.210 nan 0.000 0.414 762 V N 1.087 121.092 119.914 0.151 0.000 2.261 762 V HA -0.311 3.796 4.120 -0.022 0.000 0.246 762 V C 2.195 178.366 176.094 0.128 0.000 1.047 762 V CA 2.470 64.857 62.300 0.144 0.000 1.015 762 V CB -0.915 31.009 31.823 0.168 0.000 0.642 762 V HN 0.464 nan 8.190 nan 0.000 0.446 763 N N -0.443 118.357 118.700 0.165 0.000 2.166 763 N HA -0.199 4.528 4.740 -0.022 0.000 0.186 763 N C 1.835 177.491 175.510 0.245 0.000 1.019 763 N CA 1.495 54.684 53.050 0.233 0.000 0.856 763 N CB -0.212 38.401 38.487 0.209 0.000 0.993 763 N HN 0.342 nan 8.380 nan 0.000 0.426 764 M N 0.234 119.946 119.600 0.186 0.000 2.067 764 M HA -0.123 4.344 4.480 -0.022 0.000 0.260 764 M C 1.709 178.042 176.300 0.055 0.000 1.069 764 M CA 1.435 56.843 55.300 0.180 0.000 1.117 764 M CB -0.660 32.028 32.600 0.147 0.000 1.334 764 M HN 0.265 nan 8.290 nan 0.000 0.407 765 L N -0.119 121.073 121.223 -0.051 0.000 2.042 765 L HA -0.268 4.059 4.340 -0.022 0.000 0.210 765 L C 2.614 179.155 176.870 -0.548 0.000 1.076 765 L CA 1.091 55.739 54.840 -0.319 0.000 0.749 765 L CB -0.570 41.292 42.059 -0.328 0.000 0.893 765 L HN 0.353 nan 8.230 nan 0.000 0.432 766 M N -1.577 117.813 119.600 -0.351 0.000 2.288 766 M HA -0.090 4.377 4.480 -0.022 0.000 0.266 766 M C 1.577 177.433 176.300 -0.740 0.000 1.072 766 M CA 1.766 56.762 55.300 -0.507 0.000 1.132 766 M CB -0.672 31.661 32.600 -0.444 0.000 1.386 766 M HN 0.320 nan 8.290 nan 0.000 0.432 767 H N -2.645 116.292 119.070 -0.221 0.000 3.457 767 H HA 0.225 4.768 4.556 -0.022 0.000 0.255 767 H C 0.197 175.143 175.328 -0.637 0.000 1.082 767 H CA 0.202 56.000 56.048 -0.417 0.000 1.189 767 H CB 0.649 30.132 29.762 -0.465 0.000 1.511 767 H HN 0.310 nan 8.280 nan 0.000 0.527 768 H N -0.109 119.000 119.070 0.064 0.000 2.924 768 H HA 0.124 4.667 4.556 -0.022 0.000 0.229 768 H C -0.702 174.652 175.328 0.043 0.000 1.345 768 H CA -0.220 55.863 56.048 0.059 0.000 1.044 768 H CB 0.742 30.547 29.762 0.071 0.000 2.221 768 H HN 0.182 nan 8.280 nan 0.000 0.574 769 D N 1.359 121.823 120.400 0.107 0.000 2.441 769 D HA 0.101 4.728 4.640 -0.022 0.000 0.221 769 D C 1.191 177.485 176.300 -0.009 0.000 1.156 769 D CA -0.318 53.733 54.000 0.085 0.000 0.896 769 D CB 0.470 41.300 40.800 0.051 0.000 1.028 769 D HN 0.197 nan 8.370 nan 0.000 0.509 770 R N 2.165 122.554 120.500 -0.185 0.000 2.285 770 R HA -0.049 4.278 4.340 -0.022 0.000 0.213 770 R C 0.567 176.385 176.300 -0.802 0.000 1.068 770 R CA 0.800 56.587 56.100 -0.521 0.000 1.004 770 R CB 0.093 29.937 30.300 -0.760 0.000 0.873 770 R HN 0.412 nan 8.270 nan 0.000 0.467 771 F N 0.504 120.428 119.950 -0.044 0.000 2.639 771 F HA 0.228 4.742 4.527 -0.022 0.000 0.302 771 F C 0.105 175.792 175.800 -0.187 0.000 1.097 771 F CA -0.621 57.332 58.000 -0.078 0.000 1.294 771 F CB 0.104 39.111 39.000 0.012 0.000 1.027 771 F HN -0.256 nan 8.300 nan 0.000 0.550 772 K N -0.213 120.009 120.400 -0.298 0.000 3.490 772 K HA -0.184 4.123 4.320 -0.022 0.000 0.273 772 K C 0.930 177.431 176.600 -0.166 0.000 0.916 772 K CA 0.169 56.118 56.287 -0.563 0.000 0.718 772 K CB -1.714 30.284 32.500 -0.836 0.000 1.477 772 K HN 0.216 nan 8.250 nan 0.000 0.452 773 V N -0.059 119.853 119.914 -0.002 0.000 2.427 773 V HA -0.241 3.866 4.120 -0.022 0.000 0.248 773 V C 1.936 178.200 176.094 0.282 0.000 1.051 773 V CA 1.795 64.166 62.300 0.119 0.000 1.048 773 V CB -0.472 31.435 31.823 0.139 0.000 0.666 773 V HN 0.434 nan 8.190 nan 0.000 0.456 774 F N 0.954 120.915 119.950 0.017 0.000 2.186 774 F HA -0.028 4.486 4.527 -0.022 0.000 0.299 774 F C 2.472 178.096 175.800 -0.294 0.000 1.090 774 F CA 0.764 58.730 58.000 -0.056 0.000 1.307 774 F CB -1.425 37.549 39.000 -0.043 0.000 1.019 774 F HN 0.151 nan 8.300 nan 0.000 0.489 775 A N -0.817 121.824 122.820 -0.299 0.000 2.070 775 A HA -0.164 4.143 4.320 -0.022 0.000 0.220 775 A C 1.575 179.159 177.584 0.001 0.000 1.159 775 A CA 1.985 53.741 52.037 -0.468 0.000 0.656 775 A CB -0.511 18.312 19.000 -0.294 0.000 0.800 775 A HN 0.238 nan 8.150 nan 0.000 0.453 776 D N -3.192 117.270 120.400 0.103 0.000 2.433 776 D HA 0.110 4.737 4.640 -0.022 0.000 0.211 776 D C 1.097 177.593 176.300 0.326 0.000 1.114 776 D CA -0.134 54.003 54.000 0.227 0.000 0.837 776 D CB -0.080 40.841 40.800 0.202 0.000 0.984 776 D HN 0.511 nan 8.370 nan 0.000 0.505 777 Y N 2.129 122.539 120.300 0.182 0.000 2.097 777 Y HA -0.208 4.329 4.550 -0.021 0.000 0.282 777 Y C 1.991 177.999 175.900 0.180 0.000 1.152 777 Y CA 1.950 60.166 58.100 0.194 0.000 1.136 777 Y CB 0.134 38.665 38.460 0.118 0.000 0.975 777 Y HN -0.093 nan 8.280 nan 0.000 0.498 778 E N -0.336 119.942 120.200 0.130 0.000 2.058 778 E HA -0.220 4.117 4.350 -0.022 0.000 0.194 778 E C 2.067 178.645 176.600 -0.036 0.000 0.997 778 E CA 1.358 57.751 56.400 -0.011 0.000 0.801 778 E CB -0.107 29.689 29.700 0.160 0.000 0.746 778 E HN 0.487 nan 8.360 nan 0.000 0.450 779 E N 0.080 120.343 120.200 0.105 0.000 2.204 779 E HA -0.171 4.166 4.350 -0.022 0.000 0.194 779 E C 1.751 178.371 176.600 0.033 0.000 0.989 779 E CA 0.677 57.160 56.400 0.138 0.000 0.824 779 E CB -0.297 29.574 29.700 0.285 0.000 0.756 779 E HN 0.344 nan 8.360 nan 0.000 0.477 780 Y N 1.218 121.387 120.300 -0.219 0.000 2.133 780 Y HA -0.183 4.354 4.550 -0.022 0.000 0.287 780 Y C 2.248 177.756 175.900 -0.653 0.000 1.134 780 Y CA 1.007 58.667 58.100 -0.733 0.000 1.133 780 Y CB -0.506 37.637 38.460 -0.528 0.000 0.987 780 Y HN -0.194 nan 8.280 nan 0.000 0.502 781 V N 0.707 120.239 119.914 -0.636 0.000 2.343 781 V HA -0.314 3.793 4.120 -0.022 0.000 0.247 781 V C 2.304 178.148 176.094 -0.417 0.000 1.051 781 V CA 2.333 64.277 62.300 -0.594 0.000 1.036 781 V CB -0.598 30.929 31.823 -0.493 0.000 0.654 781 V HN 0.311 nan 8.190 nan 0.000 0.451 782 K N -0.917 119.309 120.400 -0.290 0.000 2.097 782 K HA -0.199 4.108 4.320 -0.022 0.000 0.206 782 K C 2.280 178.772 176.600 -0.181 0.000 1.049 782 K CA 1.668 57.853 56.287 -0.170 0.000 0.933 782 K CB -0.535 31.918 32.500 -0.079 0.000 0.717 782 K HN 0.553 nan 8.250 nan 0.000 0.442 783 C N 1.345 120.496 119.300 -0.248 0.000 2.440 783 C HA -0.057 4.390 4.460 -0.022 0.000 0.278 783 C C 2.518 177.271 174.990 -0.395 0.000 1.295 783 C CA 0.684 59.574 59.018 -0.212 0.000 1.738 783 C CB -0.580 27.034 27.740 -0.210 0.000 1.987 783 C HN 0.419 nan 8.230 nan 0.000 0.492 784 Q N 0.424 119.859 119.800 -0.609 0.000 2.291 784 Q HA -0.139 4.188 4.340 -0.022 0.000 0.205 784 Q C 1.938 177.728 176.000 -0.350 0.000 0.970 784 Q CA 1.388 56.806 55.803 -0.641 0.000 0.876 784 Q CB -0.297 27.818 28.738 -1.038 0.000 0.935 784 Q HN 0.760 nan 8.270 nan 0.000 0.455 785 E N 0.228 120.280 120.200 -0.246 0.000 2.107 785 E HA -0.096 4.241 4.350 -0.022 0.000 0.191 785 E C 2.035 178.586 176.600 -0.083 0.000 0.982 785 E CA 0.423 56.746 56.400 -0.128 0.000 0.809 785 E CB 0.091 29.737 29.700 -0.090 0.000 0.756 785 E HN 0.184 nan 8.360 nan 0.000 0.459 786 R N 0.186 120.641 120.500 -0.074 0.000 2.115 786 R HA -0.097 4.230 4.340 -0.022 0.000 0.230 786 R C 2.280 178.594 176.300 0.024 0.000 1.111 786 R CA 0.751 56.888 56.100 0.061 0.000 0.976 786 R CB -0.078 30.350 30.300 0.213 0.000 0.870 786 R HN 0.061 nan 8.270 nan 0.000 0.445 787 V N 0.057 119.767 119.914 -0.340 0.000 2.244 787 V HA -0.241 3.866 4.120 -0.022 0.000 0.244 787 V C 2.086 178.195 176.094 0.024 0.000 1.042 787 V CA 2.004 64.060 62.300 -0.407 0.000 1.006 787 V CB -0.395 31.061 31.823 -0.610 0.000 0.641 787 V HN 0.293 nan 8.190 nan 0.000 0.446 788 S N 0.191 115.851 115.700 -0.066 0.000 2.387 788 S HA -0.223 4.234 4.470 -0.022 0.000 0.230 788 S C 2.172 176.830 174.600 0.097 0.000 1.035 788 S CA 1.453 59.643 58.200 -0.016 0.000 1.014 788 S CB -0.544 62.614 63.200 -0.069 0.000 0.836 788 S HN 0.655 nan 8.310 nan 0.000 0.466 789 A N 1.350 124.232 122.820 0.104 0.000 1.858 789 A HA -0.065 4.242 4.320 -0.022 0.000 0.216 789 A C 2.122 179.826 177.584 0.200 0.000 1.190 789 A CA 1.505 53.624 52.037 0.136 0.000 0.617 789 A CB -0.782 18.291 19.000 0.121 0.000 0.827 789 A HN 0.427 nan 8.150 nan 0.000 0.443 790 L N -2.011 119.397 121.223 0.308 0.000 2.141 790 L HA -0.098 4.229 4.340 -0.022 0.000 0.209 790 L C 2.232 179.385 176.870 0.473 0.000 1.094 790 L CA 1.872 56.962 54.840 0.416 0.000 0.763 790 L CB -0.748 41.658 42.059 0.577 0.000 0.908 790 L HN 0.501 nan 8.230 nan 0.000 0.437 791 Y N 0.241 120.682 120.300 0.235 0.000 2.293 791 Y HA -0.206 4.332 4.550 -0.020 0.000 0.291 791 Y C 2.329 178.166 175.900 -0.104 0.000 1.137 791 Y CA 1.572 59.550 58.100 -0.203 0.000 1.202 791 Y CB -0.073 38.028 38.460 -0.599 0.000 0.990 791 Y HN 0.158 nan 8.280 nan 0.000 0.537 792 K N 0.134 120.586 120.400 0.086 0.000 2.360 792 K HA -0.189 4.118 4.320 -0.022 0.000 0.201 792 K C 0.269 176.860 176.600 -0.016 0.000 1.046 792 K CA 1.119 57.441 56.287 0.058 0.000 0.945 792 K CB -0.281 32.290 32.500 0.119 0.000 0.750 792 K HN 0.276 nan 8.250 nan 0.000 0.464 793 N N 0.298 118.996 118.700 -0.003 0.000 2.976 793 N HA 0.122 4.849 4.740 -0.022 0.000 0.255 793 N C -2.339 173.162 175.510 -0.016 0.000 1.312 793 N CA -1.912 51.140 53.050 0.003 0.000 0.897 793 N CB 0.994 39.517 38.487 0.059 0.000 1.184 793 N HN -0.220 nan 8.380 nan 0.000 0.497 794 P HA -0.271 nan 4.420 nan 0.000 0.217 794 P C 1.224 178.519 177.300 -0.008 0.000 1.158 794 P CA 1.166 64.172 63.100 -0.157 0.000 0.887 794 P CB 0.189 31.771 31.700 -0.197 0.000 0.792 795 R N -0.212 120.287 120.500 -0.002 0.000 2.081 795 R HA -0.164 4.163 4.340 -0.022 0.000 0.235 795 R C 1.977 178.308 176.300 0.053 0.000 1.131 795 R CA 1.443 57.555 56.100 0.021 0.000 0.960 795 R CB -0.370 29.936 30.300 0.010 0.000 0.856 795 R HN 0.090 nan 8.270 nan 0.000 0.436 796 E N -0.091 120.151 120.200 0.070 0.000 2.107 796 E HA -0.207 4.130 4.350 -0.022 0.000 0.191 796 E C 1.534 178.201 176.600 0.112 0.000 0.982 796 E CA 0.676 57.123 56.400 0.077 0.000 0.809 796 E CB -0.475 29.273 29.700 0.080 0.000 0.756 796 E HN 0.496 nan 8.360 nan 0.000 0.459 797 W N 2.048 123.332 121.300 -0.027 0.000 2.354 797 W HA -0.192 4.455 4.660 -0.022 0.000 0.315 797 W C 1.665 178.175 176.519 -0.014 0.000 1.206 797 W CA 2.172 59.514 57.345 -0.005 0.000 1.290 797 W CB -0.548 28.873 29.460 -0.065 0.000 1.152 797 W HN 0.037 nan 8.180 nan 0.000 0.489 798 T N 1.342 116.030 114.554 0.224 0.000 2.720 798 T HA -0.225 4.112 4.350 -0.022 0.000 0.268 798 T C 1.873 176.568 174.700 -0.010 0.000 1.037 798 T CA 1.998 64.155 62.100 0.095 0.000 1.144 798 T CB -0.359 68.541 68.868 0.053 0.000 0.864 798 T HN 0.191 nan 8.240 nan 0.000 0.444 799 R N 0.198 120.701 120.500 0.004 0.000 2.092 799 R HA 0.112 4.439 4.340 -0.022 0.000 0.231 799 R C 2.515 178.795 176.300 -0.033 0.000 1.119 799 R CA 1.129 57.231 56.100 0.003 0.000 0.970 799 R CB -0.321 29.992 30.300 0.021 0.000 0.864 799 R HN 0.383 nan 8.270 nan 0.000 0.440 800 M N 0.428 119.972 119.600 -0.094 0.000 2.132 800 M HA -0.133 4.334 4.480 -0.022 0.000 0.263 800 M C 1.968 178.170 176.300 -0.163 0.000 1.065 800 M CA 1.351 56.562 55.300 -0.148 0.000 1.122 800 M CB 0.163 32.615 32.600 -0.247 0.000 1.365 800 M HN -0.033 nan 8.290 nan 0.000 0.411 801 V N 0.926 120.712 119.914 -0.213 0.000 2.287 801 V HA -0.320 3.787 4.120 -0.022 0.000 0.248 801 V C 2.221 178.280 176.094 -0.058 0.000 1.053 801 V CA 2.038 64.242 62.300 -0.161 0.000 1.027 801 V CB -0.606 31.139 31.823 -0.129 0.000 0.646 801 V HN 0.517 nan 8.190 nan 0.000 0.447 802 I N -0.601 119.952 120.570 -0.029 0.000 2.264 802 I HA -0.275 3.882 4.170 -0.022 0.000 0.248 802 I C 2.639 178.801 176.117 0.075 0.000 1.111 802 I CA 1.558 62.889 61.300 0.053 0.000 1.382 802 I CB -0.377 37.695 38.000 0.122 0.000 1.060 802 I HN 0.226 nan 8.210 nan 0.000 0.418 803 R N 0.273 120.795 120.500 0.036 0.000 2.189 803 R HA -0.068 4.259 4.340 -0.022 0.000 0.218 803 R C 2.000 178.330 176.300 0.050 0.000 1.074 803 R CA 0.807 56.931 56.100 0.040 0.000 0.991 803 R CB -0.211 30.097 30.300 0.013 0.000 0.883 803 R HN 0.494 nan 8.270 nan 0.000 0.457 804 N N 0.583 119.305 118.700 0.036 0.000 2.176 804 N HA -0.033 4.694 4.740 -0.022 0.000 0.187 804 N C 1.904 177.466 175.510 0.087 0.000 1.043 804 N CA 0.966 54.058 53.050 0.070 0.000 0.851 804 N CB 0.015 38.516 38.487 0.023 0.000 1.018 804 N HN 0.059 nan 8.380 nan 0.000 0.436 805 I N 1.831 122.439 120.570 0.063 0.000 2.185 805 I HA -0.289 3.868 4.170 -0.022 0.000 0.246 805 I C 2.318 178.479 176.117 0.074 0.000 1.088 805 I CA 1.188 62.528 61.300 0.067 0.000 1.347 805 I CB -0.312 37.717 38.000 0.049 0.000 1.041 805 I HN 0.127 nan 8.210 nan 0.000 0.415 806 A N 0.066 122.933 122.820 0.078 0.000 2.121 806 A HA -0.123 4.184 4.320 -0.022 0.000 0.218 806 A C 1.960 179.583 177.584 0.065 0.000 1.154 806 A CA 1.813 53.890 52.037 0.065 0.000 0.679 806 A CB -0.744 18.302 19.000 0.077 0.000 0.795 806 A HN 0.543 nan 8.150 nan 0.000 0.458 807 T N -2.900 111.707 114.554 0.089 0.000 3.174 807 T HA 0.186 4.523 4.350 -0.022 0.000 0.269 807 T C 1.139 175.938 174.700 0.166 0.000 1.017 807 T CA 0.560 62.720 62.100 0.099 0.000 0.899 807 T CB -0.135 68.792 68.868 0.097 0.000 1.077 807 T HN 0.446 nan 8.240 nan 0.000 0.552 808 S N 0.245 116.056 115.700 0.185 0.000 2.558 808 S HA 0.233 4.690 4.470 -0.022 0.000 0.217 808 S C 2.271 177.011 174.600 0.234 0.000 0.975 808 S CA 0.323 58.711 58.200 0.314 0.000 0.912 808 S CB -0.677 62.669 63.200 0.243 0.000 0.776 808 S HN 0.519 nan 8.310 nan 0.000 0.526 809 G N 2.714 111.571 108.800 0.096 0.000 2.503 809 G HA2 -0.315 3.632 3.960 -0.022 0.000 0.221 809 G HA3 -0.315 3.632 3.960 -0.022 0.000 0.221 809 G C 1.328 176.184 174.900 -0.073 0.000 1.131 809 G CA 1.113 46.233 45.100 0.033 0.000 0.756 809 G HN 0.597 nan 8.290 nan 0.000 0.572 810 K N -0.233 120.005 120.400 -0.271 0.000 2.360 810 K HA -0.011 4.296 4.320 -0.022 0.000 0.201 810 K C 0.852 177.079 176.600 -0.622 0.000 1.046 810 K CA 0.530 56.503 56.287 -0.522 0.000 0.945 810 K CB -0.193 31.830 32.500 -0.796 0.000 0.750 810 K HN 0.377 nan 8.250 nan 0.000 0.464 811 F N 0.818 120.801 119.950 0.054 0.000 2.660 811 F HA 0.179 4.692 4.527 -0.022 0.000 0.297 811 F C 0.656 176.506 175.800 0.082 0.000 1.132 811 F CA -0.463 57.577 58.000 0.066 0.000 1.372 811 F CB 0.268 39.303 39.000 0.057 0.000 1.003 811 F HN -0.149 nan 8.300 nan 0.000 0.524 812 S N 0.171 115.955 115.700 0.139 0.000 2.523 812 S HA 0.141 4.597 4.470 -0.022 0.000 0.275 812 S C 1.450 176.136 174.600 0.143 0.000 1.281 812 S CA -0.125 58.159 58.200 0.139 0.000 1.050 812 S CB 0.866 64.119 63.200 0.089 0.000 0.937 812 S HN 0.342 nan 8.310 nan 0.000 0.492 813 S N 3.299 119.110 115.700 0.185 0.000 2.469 813 S HA -0.105 4.352 4.470 -0.022 0.000 0.238 813 S C 0.989 175.656 174.600 0.112 0.000 0.998 813 S CA 0.919 59.252 58.200 0.221 0.000 0.957 813 S CB -0.412 62.980 63.200 0.319 0.000 0.764 813 S HN 0.794 nan 8.310 nan 0.000 0.514 814 D N 1.745 122.194 120.400 0.081 0.000 2.144 814 D HA -0.066 4.561 4.640 -0.022 0.000 0.199 814 D C 2.109 178.422 176.300 0.022 0.000 0.984 814 D CA 0.750 54.775 54.000 0.042 0.000 0.834 814 D CB -0.315 40.507 40.800 0.036 0.000 0.955 814 D HN 0.301 nan 8.370 nan 0.000 0.465 815 R N 0.663 121.177 120.500 0.024 0.000 2.075 815 R HA -0.081 4.246 4.340 -0.022 0.000 0.232 815 R C 1.808 178.106 176.300 -0.004 0.000 1.126 815 R CA 1.367 57.465 56.100 -0.003 0.000 0.963 815 R CB -0.631 29.652 30.300 -0.027 0.000 0.858 815 R HN 0.139 nan 8.270 nan 0.000 0.435 816 T N 1.927 116.502 114.554 0.034 0.000 2.708 816 T HA -0.081 4.256 4.350 -0.022 0.000 0.266 816 T C 1.916 176.628 174.700 0.020 0.000 1.037 816 T CA 1.081 63.218 62.100 0.061 0.000 1.146 816 T CB -0.077 68.904 68.868 0.189 0.000 0.865 816 T HN 0.093 nan 8.240 nan 0.000 0.435 817 I N 1.735 122.239 120.570 -0.110 0.000 2.394 817 I HA -0.047 4.110 4.170 -0.022 0.000 0.251 817 I C 2.892 178.984 176.117 -0.042 0.000 1.136 817 I CA 0.750 61.956 61.300 -0.157 0.000 1.425 817 I CB -1.570 36.346 38.000 -0.140 0.000 1.079 817 I HN 0.193 nan 8.210 nan 0.000 0.425 818 A N 0.365 123.171 122.820 -0.022 0.000 1.933 818 A HA -0.230 4.077 4.320 -0.022 0.000 0.218 818 A C 2.227 179.780 177.584 -0.053 0.000 1.175 818 A CA 1.405 53.434 52.037 -0.013 0.000 0.628 818 A CB -0.498 18.496 19.000 -0.010 0.000 0.814 818 A HN 0.527 nan 8.150 nan 0.000 0.444 819 Q N -1.920 117.826 119.800 -0.090 0.000 2.083 819 Q HA -0.145 4.182 4.340 -0.022 0.000 0.198 819 Q C 1.963 177.798 176.000 -0.275 0.000 0.969 819 Q CA 1.497 57.204 55.803 -0.160 0.000 0.838 819 Q CB -0.328 28.302 28.738 -0.180 0.000 0.900 819 Q HN 0.802 nan 8.270 nan 0.000 0.436 820 Y N 1.035 121.046 120.300 -0.482 0.000 2.128 820 Y HA -0.284 4.252 4.550 -0.022 0.000 0.284 820 Y C 2.564 177.901 175.900 -0.939 0.000 1.154 820 Y CA 1.353 58.900 58.100 -0.921 0.000 1.149 820 Y CB -0.462 37.112 38.460 -1.477 0.000 0.976 820 Y HN 0.157 nan 8.280 nan 0.000 0.505 821 A N 0.270 122.884 122.820 -0.343 0.000 1.865 821 A HA -0.245 4.062 4.320 -0.022 0.000 0.217 821 A C 2.237 179.843 177.584 0.036 0.000 1.191 821 A CA 2.181 54.266 52.037 0.080 0.000 0.623 821 A CB -0.590 18.520 19.000 0.182 0.000 0.826 821 A HN 0.440 nan 8.150 nan 0.000 0.444 822 R N -0.868 119.611 120.500 -0.035 0.000 2.093 822 R HA -0.008 4.319 4.340 -0.022 0.000 0.224 822 R C 1.858 178.133 176.300 -0.042 0.000 1.101 822 R CA 1.384 57.472 56.100 -0.020 0.000 0.979 822 R CB -0.134 30.150 30.300 -0.026 0.000 0.877 822 R HN 0.664 nan 8.270 nan 0.000 0.441 823 E N -0.399 119.735 120.200 -0.111 0.000 2.364 823 E HA 0.084 4.421 4.350 -0.022 0.000 0.196 823 E C 1.460 178.007 176.600 -0.089 0.000 0.990 823 E CA 0.490 56.828 56.400 -0.104 0.000 0.886 823 E CB 0.525 30.133 29.700 -0.153 0.000 0.866 823 E HN 0.285 nan 8.360 nan 0.000 0.493 824 I N -1.121 119.354 120.570 -0.159 0.000 3.570 824 I HA 0.020 4.177 4.170 -0.022 0.000 0.270 824 I C 1.355 177.590 176.117 0.196 0.000 1.162 824 I CA -0.069 61.195 61.300 -0.061 0.000 1.413 824 I CB 0.133 37.944 38.000 -0.316 0.000 1.437 824 I HN 0.111 nan 8.210 nan 0.000 0.457 825 W N 1.632 123.027 121.300 0.158 0.000 2.770 825 W HA 0.287 4.935 4.660 -0.022 0.000 0.256 825 W C 1.587 178.145 176.519 0.065 0.000 1.291 825 W CA 0.836 58.255 57.345 0.124 0.000 1.396 825 W CB -1.206 28.317 29.460 0.105 0.000 1.114 825 W HN 0.359 nan 8.180 nan 0.000 0.637 826 G N 0.998 109.935 108.800 0.227 0.000 2.221 826 G HA2 -0.172 3.775 3.960 -0.022 0.000 0.265 826 G HA3 -0.172 3.775 3.960 -0.022 0.000 0.265 826 G C -0.456 174.516 174.900 0.121 0.000 1.041 826 G CA 0.331 45.508 45.100 0.129 0.000 0.807 826 G HN 0.257 nan 8.290 nan 0.000 0.502 827 V N -1.048 118.962 119.914 0.160 0.000 2.735 827 V HA 0.818 4.925 4.120 -0.022 0.000 0.310 827 V C -0.236 175.921 176.094 0.105 0.000 1.061 827 V CA -0.880 61.493 62.300 0.122 0.000 0.913 827 V CB 2.060 33.965 31.823 0.136 0.000 1.005 827 V HN 0.400 nan 8.190 nan 0.000 0.428 828 E N 7.163 127.406 120.200 0.071 0.000 2.167 828 E HA 0.550 4.887 4.350 -0.022 0.000 0.284 828 E C -2.536 174.102 176.600 0.064 0.000 1.016 828 E CA -2.073 54.362 56.400 0.059 0.000 0.817 828 E CB 1.315 31.041 29.700 0.044 0.000 1.080 828 E HN 0.620 nan 8.360 nan 0.000 0.397 829 P HA 0.138 nan 4.420 nan 0.000 0.269 829 P C -1.124 176.209 177.300 0.054 0.000 1.215 829 P CA -0.290 62.849 63.100 0.064 0.000 0.780 829 P CB 0.988 32.721 31.700 0.054 0.000 0.898 830 S N 0.800 116.535 115.700 0.058 0.000 2.533 830 S HA 0.367 4.824 4.470 -0.022 0.000 0.271 830 S C 0.074 174.704 174.600 0.050 0.000 1.143 830 S CA -0.704 57.529 58.200 0.054 0.000 0.891 830 S CB 0.918 64.157 63.200 0.064 0.000 1.105 830 S HN 0.234 nan 8.310 nan 0.000 0.468 831 R N 1.864 122.387 120.500 0.040 0.000 2.468 831 R HA 0.213 4.540 4.340 -0.022 0.000 0.280 831 R C 0.101 176.414 176.300 0.022 0.000 0.963 831 R CA -0.168 55.952 56.100 0.033 0.000 1.083 831 R CB 0.194 30.513 30.300 0.032 0.000 1.200 831 R HN 0.658 nan 8.270 nan 0.000 0.541 832 Q N 2.035 121.850 119.800 0.026 0.000 2.286 832 Q HA -0.039 4.288 4.340 -0.022 0.000 0.290 832 Q C -0.245 175.751 176.000 -0.006 0.000 1.049 832 Q CA 0.769 56.580 55.803 0.014 0.000 0.923 832 Q CB 0.657 29.413 28.738 0.029 0.000 1.183 832 Q HN 0.136 nan 8.270 nan 0.000 0.383 833 R N 2.025 122.510 120.500 -0.026 0.000 2.540 833 R HA 0.538 4.865 4.340 -0.022 0.000 0.287 833 R C -0.571 175.682 176.300 -0.079 0.000 0.980 833 R CA -0.664 55.405 56.100 -0.051 0.000 0.966 833 R CB 0.696 30.964 30.300 -0.053 0.000 1.106 833 R HN 0.369 nan 8.270 nan 0.000 0.480 834 L N 2.422 123.577 121.223 -0.113 0.000 2.421 834 L HA 0.493 4.820 4.340 -0.022 0.000 0.263 834 L C -1.893 174.916 176.870 -0.102 0.000 1.122 834 L CA -2.329 52.415 54.840 -0.160 0.000 0.804 834 L CB 1.115 43.039 42.059 -0.225 0.000 1.150 834 L HN 0.499 nan 8.230 nan 0.000 0.457 835 P HA 0.152 nan 4.420 nan 0.000 0.278 835 P C -0.927 176.347 177.300 -0.043 0.000 1.238 835 P CA -0.505 62.563 63.100 -0.054 0.000 0.794 835 P CB 0.774 32.451 31.700 -0.040 0.000 0.955 836 A N 5.162 127.965 122.820 -0.028 0.000 2.540 836 A HA 0.162 4.469 4.320 -0.022 0.000 0.239 836 A C -0.966 176.617 177.584 -0.002 0.000 1.061 836 A CA -0.543 51.488 52.037 -0.011 0.000 0.758 836 A CB -1.320 17.680 19.000 0.000 0.000 0.991 836 A HN 0.463 nan 8.150 nan 0.000 0.502 837 P HA -0.225 nan 4.420 nan 0.000 0.229 837 P C 0.258 177.562 177.300 0.007 0.000 1.147 837 P CA 1.888 64.994 63.100 0.011 0.000 0.949 837 P CB -0.193 31.522 31.700 0.024 0.000 0.786 838 D N 0.000 120.406 120.400 0.010 0.000 6.856 838 D HA 0.000 4.627 4.640 -0.022 0.000 0.175 838 D CA 0.000 54.004 54.000 0.007 0.000 0.868 838 D CB 0.000 40.807 40.800 0.012 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683