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 1lwn_1_A DATA FIRST_RESID 5 DATA SEQUENCE SDQEKRKQIX 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 SAKAPNDXXX DATA SEQUENCE XXXXXXGYIQ AVLDRNLAEN ISRVLYPNDN FFEGKELRLK QEYFVVAATL DATA SEQUENCE QDIIRRFKSS 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 0.000 174.597 174.600 -0.005 0.000 1.055 5 S CA 0.000 58.197 58.200 -0.006 0.000 1.107 5 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 6 D N 3.638 124.035 120.400 -0.005 0.000 2.346 6 D HA 0.101 4.731 4.640 -0.017 0.000 0.267 6 D C 1.310 177.607 176.300 -0.004 0.000 1.320 6 D CA 0.200 54.198 54.000 -0.004 0.000 0.951 6 D CB 0.965 41.763 40.800 -0.003 0.000 1.079 6 D HN 0.494 nan 8.370 nan 0.000 0.509 7 Q N 2.474 122.272 119.800 -0.003 0.000 2.291 7 Q HA -0.143 4.187 4.340 -0.017 0.000 0.206 7 Q C 1.263 177.262 176.000 -0.002 0.000 0.976 7 Q CA 0.788 56.589 55.803 -0.003 0.000 0.875 7 Q CB 0.225 28.962 28.738 -0.001 0.000 0.927 7 Q HN 0.578 nan 8.270 nan 0.000 0.450 8 E N 0.719 120.918 120.200 -0.001 0.000 2.204 8 E HA -0.121 4.218 4.350 -0.017 0.000 0.195 8 E C 1.708 178.307 176.600 -0.001 0.000 0.990 8 E CA 0.694 57.093 56.400 -0.000 0.000 0.821 8 E CB 0.036 29.737 29.700 0.000 0.000 0.750 8 E HN 0.384 nan 8.360 nan 0.000 0.477 9 K N 0.395 120.793 120.400 -0.003 0.000 2.097 9 K HA -0.067 4.242 4.320 -0.017 0.000 0.206 9 K C 1.910 178.506 176.600 -0.006 0.000 1.049 9 K CA 0.771 57.056 56.287 -0.005 0.000 0.933 9 K CB -0.021 32.475 32.500 -0.006 0.000 0.717 9 K HN -0.002 nan 8.250 nan 0.000 0.442 10 R N 1.097 121.593 120.500 -0.006 0.000 2.293 10 R HA -0.063 4.267 4.340 -0.017 0.000 0.219 10 R C 1.551 177.848 176.300 -0.006 0.000 1.091 10 R CA 0.656 56.751 56.100 -0.008 0.000 1.004 10 R CB -0.155 30.139 30.300 -0.009 0.000 0.865 10 R HN 0.229 nan 8.270 nan 0.000 0.469 11 K N 0.977 121.375 120.400 -0.003 0.000 2.362 11 K HA -0.120 4.190 4.320 -0.017 0.000 0.200 11 K C 1.757 178.357 176.600 -0.001 0.000 1.046 11 K CA 0.812 57.098 56.287 -0.001 0.000 0.952 11 K CB 0.081 32.583 32.500 0.002 0.000 0.753 11 K HN 0.338 nan 8.250 nan 0.000 0.466 12 Q N 0.315 120.113 119.800 -0.003 0.000 2.297 12 Q HA 0.019 4.348 4.340 -0.017 0.000 0.204 12 Q C 0.903 176.899 176.000 -0.006 0.000 0.962 12 Q CA 0.540 56.340 55.803 -0.004 0.000 0.879 12 Q CB 0.096 28.831 28.738 -0.006 0.000 0.947 12 Q HN 0.275 nan 8.270 nan 0.000 0.462 16 R N 1.852 122.356 120.500 0.008 0.000 2.244 16 R HA 0.005 4.335 4.340 -0.017 0.000 0.252 16 R C 1.141 177.447 176.300 0.011 0.000 1.177 16 R CA 1.448 57.554 56.100 0.010 0.000 1.004 16 R CB -0.495 29.810 30.300 0.009 0.000 0.873 16 R HN 0.864 nan 8.270 nan 0.000 0.469 17 G N -1.600 107.206 108.800 0.010 0.000 4.132 17 G HA2 0.323 4.273 3.960 -0.017 0.000 0.269 17 G HA3 0.323 4.273 3.960 -0.017 0.000 0.269 17 G C -0.477 174.429 174.900 0.011 0.000 2.594 17 G CA -0.553 44.555 45.100 0.013 0.000 0.600 17 G HN 0.089 nan 8.290 nan 0.000 0.341 18 L N 1.398 122.626 121.223 0.008 0.000 2.919 18 L HA 0.549 4.879 4.340 -0.017 0.000 0.169 18 L C 2.682 179.545 176.870 -0.011 0.000 1.228 18 L CA 1.719 56.559 54.840 -0.000 0.000 0.862 18 L CB -0.749 41.307 42.059 -0.004 0.000 1.313 18 L HN 0.380 nan 8.230 nan 0.000 0.526 19 A N -0.316 122.480 122.820 -0.039 0.000 2.125 19 A HA 0.377 4.687 4.320 -0.017 0.000 0.219 19 A C 1.207 178.787 177.584 -0.007 0.000 1.156 19 A CA 1.116 53.089 52.037 -0.107 0.000 0.671 19 A CB -1.248 17.556 19.000 -0.326 0.000 0.794 19 A HN 0.782 nan 8.150 nan 0.000 0.459 20 G N -2.317 106.507 108.800 0.041 0.000 2.756 20 G HA2 0.007 3.957 3.960 -0.017 0.000 0.678 20 G HA3 0.007 3.957 3.960 -0.017 0.000 0.678 20 G C -0.288 174.687 174.900 0.125 0.000 1.349 20 G CA -0.552 44.593 45.100 0.075 0.000 0.847 20 G HN 0.880 nan 8.290 nan 0.000 0.548 21 V N 0.283 120.256 119.914 0.099 0.000 3.051 21 V HA 0.253 4.363 4.120 -0.017 0.000 0.306 21 V C 1.271 177.432 176.094 0.112 0.000 1.083 21 V CA 0.655 63.010 62.300 0.091 0.000 1.104 21 V CB 1.411 33.264 31.823 0.050 0.000 1.027 21 V HN 0.735 nan 8.190 nan 0.000 0.483 22 E N 2.912 123.144 120.200 0.054 0.000 2.594 22 E HA 0.068 4.408 4.350 -0.017 0.000 0.300 22 E C -0.094 176.488 176.600 -0.030 0.000 1.568 22 E CA -0.231 56.144 56.400 -0.041 0.000 1.811 22 E CB -0.453 29.163 29.700 -0.141 0.000 1.458 22 E HN 0.690 nan 8.360 nan 0.000 0.470 23 N N -1.397 117.312 118.700 0.014 0.000 2.459 23 N HA 0.079 4.809 4.740 -0.017 0.000 0.288 23 N C 0.861 176.384 175.510 0.022 0.000 1.186 23 N CA -0.726 52.330 53.050 0.010 0.000 0.917 23 N CB 1.148 39.646 38.487 0.018 0.000 1.219 23 N HN -0.157 nan 8.380 nan 0.000 0.525 24 V N 0.616 120.539 119.914 0.014 0.000 2.282 24 V HA -0.278 3.832 4.120 -0.017 0.000 0.249 24 V C 2.218 178.332 176.094 0.032 0.000 1.057 24 V CA 2.557 64.868 62.300 0.019 0.000 1.032 24 V CB -1.212 30.618 31.823 0.011 0.000 0.645 24 V HN 0.817 nan 8.190 nan 0.000 0.447 25 T N -0.585 113.988 114.554 0.032 0.000 2.665 25 T HA -0.209 4.131 4.350 -0.017 0.000 0.268 25 T C 1.912 176.645 174.700 0.054 0.000 1.035 25 T CA 1.684 63.806 62.100 0.036 0.000 1.151 25 T CB -0.277 68.609 68.868 0.030 0.000 0.862 25 T HN 0.474 nan 8.240 nan 0.000 0.438 26 E N 0.561 120.801 120.200 0.067 0.000 2.107 26 E HA -0.004 4.336 4.350 -0.017 0.000 0.191 26 E C 2.249 178.926 176.600 0.128 0.000 0.982 26 E CA 0.484 56.939 56.400 0.091 0.000 0.809 26 E CB -0.397 29.365 29.700 0.103 0.000 0.756 26 E HN 0.276 nan 8.360 nan 0.000 0.459 27 L N 1.463 122.767 121.223 0.134 0.000 2.012 27 L HA -0.171 4.158 4.340 -0.017 0.000 0.210 27 L C 2.139 179.117 176.870 0.180 0.000 1.073 27 L CA 1.717 56.661 54.840 0.173 0.000 0.748 27 L CB -0.723 41.407 42.059 0.119 0.000 0.891 27 L HN 0.030 nan 8.230 nan 0.000 0.431 28 K N -0.911 119.557 120.400 0.113 0.000 2.057 28 K HA -0.213 4.096 4.320 -0.017 0.000 0.207 28 K C 2.093 178.791 176.600 0.163 0.000 1.049 28 K CA 1.263 57.612 56.287 0.103 0.000 0.931 28 K CB -0.046 32.473 32.500 0.033 0.000 0.714 28 K HN 0.035 nan 8.250 nan 0.000 0.440 29 K N 0.927 121.399 120.400 0.120 0.000 2.057 29 K HA -0.102 4.208 4.320 -0.017 0.000 0.207 29 K C 1.537 178.200 176.600 0.106 0.000 1.049 29 K CA 1.672 58.016 56.287 0.095 0.000 0.931 29 K CB -0.303 32.236 32.500 0.065 0.000 0.714 29 K HN 0.204 nan 8.250 nan 0.000 0.440 30 N N -0.812 117.973 118.700 0.142 0.000 2.216 30 N HA -0.082 4.647 4.740 -0.017 0.000 0.183 30 N C 1.470 177.108 175.510 0.213 0.000 1.017 30 N CA 0.725 53.855 53.050 0.133 0.000 0.861 30 N CB -0.179 38.425 38.487 0.194 0.000 0.986 30 N HN 0.069 nan 8.380 nan 0.000 0.428 31 F N 2.078 122.112 119.950 0.140 0.000 2.095 31 F HA -0.166 4.351 4.527 -0.017 0.000 0.298 31 F C 2.121 177.990 175.800 0.115 0.000 1.104 31 F CA 1.300 59.394 58.000 0.156 0.000 1.232 31 F CB -0.231 38.836 39.000 0.112 0.000 0.987 31 F HN 0.022 nan 8.300 nan 0.000 0.475 32 N N 0.603 119.492 118.700 0.315 0.000 2.104 32 N HA -0.210 4.520 4.740 -0.017 0.000 0.190 32 N C 2.186 177.717 175.510 0.035 0.000 1.024 32 N CA 1.160 54.336 53.050 0.209 0.000 0.853 32 N CB -0.442 38.154 38.487 0.183 0.000 1.008 32 N HN 0.335 nan 8.380 nan 0.000 0.424 33 R N -0.029 120.423 120.500 -0.080 0.000 2.081 33 R HA -0.118 4.212 4.340 -0.017 0.000 0.235 33 R C 1.892 178.033 176.300 -0.266 0.000 1.131 33 R CA 1.181 57.127 56.100 -0.258 0.000 0.960 33 R CB -0.222 29.950 30.300 -0.214 0.000 0.856 33 R HN 0.425 nan 8.270 nan 0.000 0.436 34 H N 0.158 119.155 119.070 -0.122 0.000 2.357 34 H HA -0.128 4.418 4.556 -0.017 0.000 0.301 34 H C 2.043 177.209 175.328 -0.270 0.000 1.082 34 H CA 1.291 57.230 56.048 -0.183 0.000 1.342 34 H CB -0.171 29.483 29.762 -0.179 0.000 1.389 34 H HN 0.144 nan 8.280 nan 0.000 0.511 35 L N 0.616 121.686 121.223 -0.255 0.000 2.042 35 L HA -0.188 4.142 4.340 -0.017 0.000 0.210 35 L C 2.336 178.971 176.870 -0.391 0.000 1.076 35 L CA 1.724 56.337 54.840 -0.378 0.000 0.749 35 L CB -0.435 41.346 42.059 -0.463 0.000 0.893 35 L HN 0.286 nan 8.230 nan 0.000 0.432 36 H N -1.952 116.989 119.070 -0.214 0.000 2.320 36 H HA 0.011 4.556 4.556 -0.017 0.000 0.309 36 H C 2.105 177.394 175.328 -0.065 0.000 1.057 36 H CA 1.675 57.593 56.048 -0.218 0.000 1.374 36 H CB -0.273 29.232 29.762 -0.428 0.000 1.421 36 H HN 0.260 nan 8.280 nan 0.000 0.532 37 F N 1.146 121.115 119.950 0.032 0.000 2.234 37 F HA -0.045 4.472 4.527 -0.017 0.000 0.296 37 F C 2.596 178.347 175.800 -0.082 0.000 1.089 37 F CA 0.845 58.823 58.000 -0.036 0.000 1.343 37 F CB -0.974 37.988 39.000 -0.063 0.000 1.040 37 F HN 0.049 nan 8.300 nan 0.000 0.498 38 T N 0.362 114.957 114.554 0.069 0.000 2.809 38 T HA 0.009 4.349 4.350 -0.017 0.000 0.260 38 T C 2.090 176.703 174.700 -0.145 0.000 1.039 38 T CA 0.996 63.054 62.100 -0.071 0.000 1.141 38 T CB -0.368 68.410 68.868 -0.149 0.000 0.869 38 T HN 0.126 nan 8.240 nan 0.000 0.437 39 L N 0.932 122.065 121.223 -0.150 0.000 2.477 39 L HA 0.226 4.556 4.340 -0.017 0.000 0.220 39 L C 0.357 177.159 176.870 -0.113 0.000 1.106 39 L CA -0.132 54.608 54.840 -0.167 0.000 0.851 39 L CB -0.063 41.880 42.059 -0.193 0.000 0.994 39 L HN -0.040 nan 8.230 nan 0.000 0.462 40 V N 0.522 120.400 119.914 -0.060 0.000 6.078 40 V HA -0.265 3.845 4.120 -0.017 0.000 0.301 40 V C -0.031 176.034 176.094 -0.049 0.000 0.571 40 V CA 1.070 63.362 62.300 -0.014 0.000 0.625 40 V CB -2.178 29.639 31.823 -0.009 0.000 0.271 40 V HN 0.418 nan 8.190 nan 0.000 0.788 41 K N 0.946 121.286 120.400 -0.101 0.000 2.399 41 K HA 0.837 5.147 4.320 -0.017 0.000 0.260 41 K C -0.485 176.017 176.600 -0.162 0.000 1.049 41 K CA -0.301 55.907 56.287 -0.131 0.000 0.890 41 K CB 2.611 34.991 32.500 -0.200 0.000 1.430 41 K HN 0.530 nan 8.250 nan 0.000 0.459 42 D N -2.159 118.171 120.400 -0.117 0.000 2.610 42 D HA 0.197 4.827 4.640 -0.017 0.000 0.271 42 D C 0.562 176.848 176.300 -0.024 0.000 1.174 42 D CA -0.788 53.192 54.000 -0.034 0.000 0.949 42 D CB 0.748 41.623 40.800 0.125 0.000 1.430 42 D HN 0.464 nan 8.370 nan 0.000 0.467 43 R N -0.004 120.550 120.500 0.090 0.000 2.241 43 R HA -0.042 4.288 4.340 -0.017 0.000 0.224 43 R C 0.310 176.673 176.300 0.105 0.000 1.101 43 R CA 0.921 57.108 56.100 0.146 0.000 0.995 43 R CB -0.527 29.883 30.300 0.184 0.000 0.870 43 R HN 0.266 nan 8.270 nan 0.000 0.463 44 N N 0.964 119.702 118.700 0.065 0.000 2.290 44 N HA -0.074 4.655 4.740 -0.017 0.000 0.179 44 N C 1.752 177.275 175.510 0.022 0.000 1.016 44 N CA 1.676 54.754 53.050 0.047 0.000 0.871 44 N CB 0.346 38.857 38.487 0.041 0.000 0.987 44 N HN 0.353 nan 8.380 nan 0.000 0.431 45 V N -2.117 117.793 119.914 -0.007 0.000 3.660 45 V HA 0.497 4.606 4.120 -0.017 0.000 0.276 45 V C 0.902 176.950 176.094 -0.078 0.000 1.317 45 V CA -0.430 61.853 62.300 -0.028 0.000 1.097 45 V CB -0.513 31.294 31.823 -0.027 0.000 0.863 45 V HN 0.060 nan 8.190 nan 0.000 0.438 46 A N 2.154 124.890 122.820 -0.139 0.000 2.477 46 A HA 0.561 4.870 4.320 -0.017 0.000 0.246 46 A C 0.718 178.130 177.584 -0.286 0.000 1.078 46 A CA 0.774 52.614 52.037 -0.329 0.000 0.770 46 A CB -0.145 18.469 19.000 -0.643 0.000 1.011 46 A HN 0.848 nan 8.150 nan 0.000 0.494 47 T N -0.186 114.207 114.554 -0.270 0.000 2.949 47 T HA 0.618 4.958 4.350 -0.017 0.000 0.287 47 T C -2.191 172.468 174.700 -0.068 0.000 1.034 47 T CA -1.776 60.266 62.100 -0.097 0.000 1.018 47 T CB 1.381 70.227 68.868 -0.036 0.000 1.135 47 T HN 0.232 nan 8.240 nan 0.000 0.532 48 P HA -0.077 nan 4.420 nan 0.000 0.216 48 P C 1.599 179.016 177.300 0.195 0.000 1.150 48 P CA 0.923 64.169 63.100 0.244 0.000 0.843 48 P CB 0.028 31.831 31.700 0.170 0.000 0.787 49 R N 0.090 120.652 120.500 0.102 0.000 2.105 49 R HA -0.155 4.175 4.340 -0.017 0.000 0.239 49 R C 1.572 178.029 176.300 0.262 0.000 1.135 49 R CA 1.800 57.988 56.100 0.147 0.000 0.967 49 R CB -0.642 29.677 30.300 0.033 0.000 0.861 49 R HN 0.116 nan 8.270 nan 0.000 0.442 50 D N -0.440 120.007 120.400 0.079 0.000 2.117 50 D HA -0.172 4.458 4.640 -0.017 0.000 0.198 50 D C 1.684 177.984 176.300 -0.001 0.000 0.982 50 D CA 1.227 55.220 54.000 -0.012 0.000 0.828 50 D CB -0.277 40.361 40.800 -0.271 0.000 0.967 50 D HN 0.302 nan 8.370 nan 0.000 0.464 51 Y N 0.053 120.440 120.300 0.145 0.000 2.293 51 Y HA -0.171 4.368 4.550 -0.017 0.000 0.291 51 Y C 2.293 178.317 175.900 0.207 0.000 1.137 51 Y CA 0.282 58.508 58.100 0.211 0.000 1.202 51 Y CB -1.033 37.605 38.460 0.296 0.000 0.990 51 Y HN 0.132 nan 8.280 nan 0.000 0.537 52 Y N -0.913 119.521 120.300 0.222 0.000 2.181 52 Y HA -0.273 4.267 4.550 -0.017 0.000 0.288 52 Y C 1.911 177.788 175.900 -0.038 0.000 1.146 52 Y CA 1.502 59.638 58.100 0.061 0.000 1.164 52 Y CB -0.817 37.585 38.460 -0.097 0.000 0.982 52 Y HN -0.014 nan 8.280 nan 0.000 0.515 53 F N 0.560 120.251 119.950 -0.430 0.000 2.134 53 F HA -0.133 4.384 4.527 -0.017 0.000 0.299 53 F C 2.637 178.254 175.800 -0.305 0.000 1.097 53 F CA 1.408 59.109 58.000 -0.499 0.000 1.264 53 F CB -1.028 37.860 39.000 -0.186 0.000 1.001 53 F HN 0.214 nan 8.300 nan 0.000 0.479 54 A N -0.292 122.467 122.820 -0.101 0.000 1.933 54 A HA -0.176 4.134 4.320 -0.017 0.000 0.218 54 A C 2.105 179.546 177.584 -0.239 0.000 1.175 54 A CA 1.660 53.501 52.037 -0.325 0.000 0.628 54 A CB -1.046 17.425 19.000 -0.882 0.000 0.814 54 A HN 0.362 nan 8.150 nan 0.000 0.444 55 L N -0.378 120.837 121.223 -0.014 0.000 2.056 55 L HA 0.033 4.362 4.340 -0.017 0.000 0.207 55 L C 2.633 179.504 176.870 0.002 0.000 1.078 55 L CA 2.115 57.083 54.840 0.212 0.000 0.749 55 L CB -0.841 41.410 42.059 0.319 0.000 0.901 55 L HN 0.318 nan 8.230 nan 0.000 0.433 56 A N -1.219 121.440 122.820 -0.270 0.000 1.883 56 A HA -0.260 4.050 4.320 -0.017 0.000 0.217 56 A C 2.256 179.545 177.584 -0.492 0.000 1.186 56 A CA 1.845 53.638 52.037 -0.406 0.000 0.624 56 A CB -1.066 17.381 19.000 -0.921 0.000 0.822 56 A HN 0.680 nan 8.150 nan 0.000 0.444 57 H N -0.601 118.178 119.070 -0.485 0.000 2.421 57 H HA -0.075 4.471 4.556 -0.017 0.000 0.298 57 H C 2.239 177.247 175.328 -0.534 0.000 1.087 57 H CA 1.826 57.486 56.048 -0.647 0.000 1.330 57 H CB -0.352 28.800 29.762 -1.016 0.000 1.388 57 H HN 0.479 nan 8.280 nan 0.000 0.526 58 T N 0.405 114.877 114.554 -0.137 0.000 2.777 58 T HA -0.071 4.269 4.350 -0.017 0.000 0.266 58 T C 2.395 177.242 174.700 0.245 0.000 1.040 58 T CA 1.012 63.220 62.100 0.180 0.000 1.141 58 T CB -0.284 68.769 68.868 0.309 0.000 0.868 58 T HN 0.084 nan 8.240 nan 0.000 0.444 59 V N 1.408 121.448 119.914 0.209 0.000 2.453 59 V HA -0.083 4.027 4.120 -0.017 0.000 0.247 59 V C 2.594 178.862 176.094 0.291 0.000 1.048 59 V CA 1.391 63.860 62.300 0.282 0.000 1.049 59 V CB -0.589 31.392 31.823 0.263 0.000 0.672 59 V HN 0.351 nan 8.190 nan 0.000 0.457 60 R N 0.174 120.798 120.500 0.207 0.000 2.105 60 R HA -0.210 4.120 4.340 -0.017 0.000 0.239 60 R C 2.014 178.418 176.300 0.173 0.000 1.135 60 R CA 2.057 58.281 56.100 0.207 0.000 0.967 60 R CB -0.361 29.917 30.300 -0.036 0.000 0.861 60 R HN 0.487 nan 8.270 nan 0.000 0.442 61 D N -0.163 120.313 120.400 0.126 0.000 2.106 61 D HA -0.196 4.433 4.640 -0.017 0.000 0.191 61 D C 1.896 178.199 176.300 0.005 0.000 0.997 61 D CA 1.368 55.405 54.000 0.063 0.000 0.834 61 D CB -0.533 40.278 40.800 0.017 0.000 0.956 61 D HN 0.456 nan 8.370 nan 0.000 0.448 62 H N -0.331 118.811 119.070 0.120 0.000 2.387 62 H HA -0.077 4.469 4.556 -0.017 0.000 0.299 62 H C 2.237 177.615 175.328 0.085 0.000 1.090 62 H CA 0.576 56.678 56.048 0.090 0.000 1.332 62 H CB -0.203 29.601 29.762 0.070 0.000 1.386 62 H HN 0.115 nan 8.280 nan 0.000 0.516 63 L N 0.740 122.089 121.223 0.211 0.000 2.056 63 L HA -0.100 4.230 4.340 -0.017 0.000 0.207 63 L C 2.380 179.353 176.870 0.172 0.000 1.078 63 L CA 1.058 55.979 54.840 0.134 0.000 0.749 63 L CB -0.659 41.466 42.059 0.111 0.000 0.901 63 L HN -0.067 nan 8.230 nan 0.000 0.433 64 V N 0.112 120.166 119.914 0.233 0.000 2.407 64 V HA -0.187 3.923 4.120 -0.017 0.000 0.248 64 V C 2.622 178.862 176.094 0.243 0.000 1.055 64 V CA 1.654 64.157 62.300 0.340 0.000 1.049 64 V CB -1.542 30.455 31.823 0.290 0.000 0.662 64 V HN 0.631 nan 8.190 nan 0.000 0.455 65 G N -0.048 108.839 108.800 0.145 0.000 2.442 65 G HA2 -0.265 3.685 3.960 -0.017 0.000 0.219 65 G HA3 -0.265 3.685 3.960 -0.017 0.000 0.219 65 G C 1.764 176.724 174.900 0.101 0.000 1.141 65 G CA 0.816 45.972 45.100 0.094 0.000 0.763 65 G HN 0.460 nan 8.290 nan 0.000 0.554 66 R N -1.598 118.972 120.500 0.117 0.000 2.119 66 R HA 0.011 4.341 4.340 -0.017 0.000 0.222 66 R C 2.193 178.579 176.300 0.143 0.000 1.088 66 R CA 0.680 56.832 56.100 0.086 0.000 0.984 66 R CB -0.294 30.036 30.300 0.050 0.000 0.884 66 R HN 0.453 nan 8.270 nan 0.000 0.447 67 W N 1.759 123.044 121.300 -0.026 0.000 2.333 67 W HA -0.109 4.541 4.660 -0.017 0.000 0.316 67 W C 1.652 178.146 176.519 -0.042 0.000 1.215 67 W CA 1.049 58.373 57.345 -0.035 0.000 1.278 67 W CB -0.720 28.739 29.460 -0.001 0.000 1.154 67 W HN -0.051 nan 8.180 nan 0.000 0.486 68 I N 0.579 121.218 120.570 0.115 0.000 2.208 68 I HA -0.365 3.795 4.170 -0.017 0.000 0.245 68 I C 2.659 178.770 176.117 -0.010 0.000 1.097 68 I CA 1.367 62.647 61.300 -0.034 0.000 1.363 68 I CB -0.566 37.419 38.000 -0.026 0.000 1.051 68 I HN -0.130 nan 8.210 nan 0.000 0.413 69 R N 0.248 120.759 120.500 0.017 0.000 2.096 69 R HA -0.091 4.239 4.340 -0.017 0.000 0.235 69 R C 2.284 178.564 176.300 -0.033 0.000 1.127 69 R CA 1.589 57.690 56.100 0.001 0.000 0.968 69 R CB -1.206 29.092 30.300 -0.003 0.000 0.861 69 R HN 0.353 nan 8.270 nan 0.000 0.440 70 T N 1.621 116.132 114.554 -0.072 0.000 2.777 70 T HA -0.099 4.240 4.350 -0.017 0.000 0.266 70 T C 1.764 176.237 174.700 -0.378 0.000 1.040 70 T CA 0.988 62.937 62.100 -0.251 0.000 1.141 70 T CB -0.008 68.719 68.868 -0.234 0.000 0.868 70 T HN 0.160 nan 8.240 nan 0.000 0.444 71 Q N 1.034 120.742 119.800 -0.152 0.000 2.167 71 Q HA -0.008 4.321 4.340 -0.017 0.000 0.202 71 Q C 2.304 178.333 176.000 0.049 0.000 0.970 71 Q CA 1.174 56.952 55.803 -0.042 0.000 0.855 71 Q CB -0.307 28.415 28.738 -0.026 0.000 0.911 71 Q HN 0.630 nan 8.270 nan 0.000 0.438 72 Q N -0.611 119.212 119.800 0.038 0.000 2.083 72 Q HA -0.142 4.188 4.340 -0.017 0.000 0.198 72 Q C 2.125 178.231 176.000 0.176 0.000 0.969 72 Q CA 0.913 56.786 55.803 0.116 0.000 0.838 72 Q CB -0.162 28.623 28.738 0.078 0.000 0.900 72 Q HN 0.541 nan 8.270 nan 0.000 0.436 73 H N -0.546 118.523 119.070 -0.001 0.000 2.319 73 H HA -0.191 4.355 4.556 -0.017 0.000 0.299 73 H C 1.480 176.899 175.328 0.152 0.000 1.092 73 H CA 1.583 57.642 56.048 0.019 0.000 1.302 73 H CB 0.177 29.891 29.762 -0.080 0.000 1.373 73 H HN 0.288 nan 8.280 nan 0.000 0.497 74 Y N -0.215 120.123 120.300 0.064 0.000 2.242 74 Y HA -0.212 4.327 4.550 -0.017 0.000 0.291 74 Y C 2.609 178.528 175.900 0.032 0.000 1.137 74 Y CA 0.832 58.938 58.100 0.010 0.000 1.181 74 Y CB -1.371 37.161 38.460 0.121 0.000 0.989 74 Y HN 0.343 nan 8.280 nan 0.000 0.527 75 Y N 1.349 121.734 120.300 0.141 0.000 2.181 75 Y HA -0.186 4.354 4.550 -0.017 0.000 0.288 75 Y C 2.067 177.979 175.900 0.020 0.000 1.146 75 Y CA 1.729 59.871 58.100 0.070 0.000 1.164 75 Y CB -0.193 38.296 38.460 0.049 0.000 0.982 75 Y HN -0.015 nan 8.280 nan 0.000 0.515 76 E N 0.740 120.848 120.200 -0.153 0.000 2.015 76 E HA -0.168 4.171 4.350 -0.017 0.000 0.191 76 E C 2.129 178.587 176.600 -0.236 0.000 0.991 76 E CA 1.426 57.668 56.400 -0.263 0.000 0.802 76 E CB -0.323 29.323 29.700 -0.090 0.000 0.759 76 E HN 0.491 nan 8.360 nan 0.000 0.447 77 K N 0.507 120.782 120.400 -0.210 0.000 2.155 77 K HA -0.117 4.193 4.320 -0.017 0.000 0.203 77 K C 0.116 176.637 176.600 -0.131 0.000 1.052 77 K CA 0.756 56.930 56.287 -0.189 0.000 0.948 77 K CB -0.148 32.179 32.500 -0.289 0.000 0.728 77 K HN 0.051 nan 8.250 nan 0.000 0.448 78 D N 0.684 121.023 120.400 -0.102 0.000 2.737 78 D HA -0.093 4.537 4.640 -0.017 0.000 0.238 78 D C -2.390 173.868 176.300 -0.069 0.000 1.157 78 D CA 0.083 54.040 54.000 -0.072 0.000 0.694 78 D CB -0.181 40.559 40.800 -0.100 0.000 1.021 78 D HN 0.179 nan 8.370 nan 0.000 0.420 79 P HA 0.136 nan 4.420 nan 0.000 0.276 79 P C -0.118 177.121 177.300 -0.101 0.000 1.261 79 P CA -0.601 62.438 63.100 -0.101 0.000 0.800 79 P CB 0.644 32.256 31.700 -0.146 0.000 1.066 80 K N 1.157 121.507 120.400 -0.084 0.000 2.448 80 K HA 0.071 4.381 4.320 -0.017 0.000 0.278 80 K C -0.061 176.447 176.600 -0.152 0.000 1.009 80 K CA 0.022 56.259 56.287 -0.084 0.000 0.995 80 K CB 0.274 32.743 32.500 -0.053 0.000 0.917 80 K HN 0.304 nan 8.250 nan 0.000 0.481 81 R N 3.740 124.136 120.500 -0.174 0.000 2.460 81 R HA 0.401 4.730 4.340 -0.017 0.000 0.303 81 R C -0.669 175.344 176.300 -0.478 0.000 0.968 81 R CA -0.648 55.270 56.100 -0.303 0.000 0.889 81 R CB 1.141 31.278 30.300 -0.272 0.000 1.123 81 R HN 0.516 nan 8.270 nan 0.000 0.455 82 I N 3.153 123.392 120.570 -0.551 0.000 2.339 82 I HA 0.236 4.396 4.170 -0.017 0.000 0.290 82 I C -0.944 174.851 176.117 -0.538 0.000 0.994 82 I CA -0.489 60.440 61.300 -0.618 0.000 1.191 82 I CB 0.891 38.405 38.000 -0.809 0.000 1.343 82 I HN 0.442 nan 8.210 nan 0.000 0.458 83 Y N 6.089 126.374 120.300 -0.025 0.000 2.356 83 Y HA 0.309 4.849 4.550 -0.017 0.000 0.334 83 Y C -0.621 175.406 175.900 0.211 0.000 0.958 83 Y CA -0.730 57.483 58.100 0.188 0.000 1.196 83 Y CB 0.801 39.343 38.460 0.135 0.000 1.137 83 Y HN 0.397 nan 8.280 nan 0.000 0.485 84 Y N 4.567 125.057 120.300 0.317 0.000 2.518 84 Y HA 0.466 5.006 4.550 -0.017 0.000 0.344 84 Y C -1.189 174.981 175.900 0.449 0.000 0.982 84 Y CA -1.002 57.292 58.100 0.323 0.000 1.234 84 Y CB 0.255 38.901 38.460 0.311 0.000 1.114 84 Y HN 0.518 nan 8.280 nan 0.000 0.515 85 L N 4.996 126.294 121.223 0.124 0.000 2.281 85 L HA 0.454 4.784 4.340 -0.017 0.000 0.285 85 L C -0.132 176.752 176.870 0.023 0.000 1.074 85 L CA 0.187 55.141 54.840 0.190 0.000 0.817 85 L CB 1.194 43.334 42.059 0.135 0.000 1.168 85 L HN 0.586 nan 8.230 nan 0.000 0.434 86 S N 2.613 118.404 115.700 0.151 0.000 2.541 86 S HA 0.492 4.952 4.470 -0.017 0.000 0.271 86 S C 0.175 174.851 174.600 0.127 0.000 1.133 86 S CA -0.537 57.650 58.200 -0.022 0.000 0.876 86 S CB 1.018 63.979 63.200 -0.399 0.000 1.105 86 S HN 0.469 nan 8.310 nan 0.000 0.470 87 L N 2.776 124.113 121.223 0.189 0.000 2.591 87 L HA 0.462 4.792 4.340 -0.017 0.000 0.228 87 L C 0.273 177.326 176.870 0.306 0.000 1.133 87 L CA 0.917 55.934 54.840 0.294 0.000 0.880 87 L CB -0.057 42.184 42.059 0.303 0.000 1.033 87 L HN 0.660 nan 8.230 nan 0.000 0.450 88 E N -1.298 118.956 120.200 0.090 0.000 2.292 88 E HA 0.411 4.751 4.350 -0.017 0.000 0.272 88 E C -1.402 175.070 176.600 -0.214 0.000 0.881 88 E CA -0.480 55.963 56.400 0.072 0.000 0.754 88 E CB 1.982 31.713 29.700 0.053 0.000 1.201 88 E HN -0.169 nan 8.360 nan 0.000 0.425 89 F N 2.107 122.160 119.950 0.173 0.000 2.902 89 F HA 0.163 4.679 4.527 -0.017 0.000 0.368 89 F C -1.001 174.882 175.800 0.139 0.000 1.202 89 F CA -0.759 57.334 58.000 0.155 0.000 1.109 89 F CB 1.012 40.095 39.000 0.138 0.000 1.418 89 F HN 0.473 nan 8.300 nan 0.000 0.527 90 Y N 5.323 125.704 120.300 0.135 0.000 2.691 90 Y HA 0.231 4.771 4.550 -0.017 0.000 0.338 90 Y C 0.949 176.876 175.900 0.046 0.000 1.148 90 Y CA -1.095 57.036 58.100 0.051 0.000 1.430 90 Y CB 0.409 38.881 38.460 0.020 0.000 1.303 90 Y HN 0.542 nan 8.280 nan 0.000 0.499 91 M N 1.831 121.593 119.600 0.269 0.000 2.288 91 M HA 0.115 4.585 4.480 -0.017 0.000 0.266 91 M C 1.512 177.812 176.300 -0.001 0.000 1.072 91 M CA 1.129 56.487 55.300 0.097 0.000 1.132 91 M CB -1.263 31.365 32.600 0.046 0.000 1.386 91 M HN 0.703 nan 8.290 nan 0.000 0.432 92 G N 1.087 109.908 108.800 0.036 0.000 2.598 92 G HA2 -0.261 3.689 3.960 -0.017 0.000 0.244 92 G HA3 -0.261 3.689 3.960 -0.017 0.000 0.244 92 G C -0.339 174.531 174.900 -0.051 0.000 1.302 92 G CA -0.423 44.645 45.100 -0.054 0.000 0.903 92 G HN 0.433 nan 8.290 nan 0.000 0.575 93 R N -0.664 119.782 120.500 -0.091 0.000 2.539 93 R HA 0.533 4.863 4.340 -0.017 0.000 0.275 93 R C 1.169 177.367 176.300 -0.169 0.000 1.077 93 R CA 0.444 56.498 56.100 -0.075 0.000 1.097 93 R CB 0.647 30.903 30.300 -0.073 0.000 1.018 93 R HN 0.552 nan 8.270 nan 0.000 0.483 94 T N 1.621 116.040 114.554 -0.225 0.000 2.978 94 T HA -0.017 4.323 4.350 -0.017 0.000 0.248 94 T C 1.485 175.862 174.700 -0.539 0.000 1.018 94 T CA -0.162 61.615 62.100 -0.539 0.000 1.026 94 T CB 0.106 68.280 68.868 -1.157 0.000 1.032 94 T HN 0.328 nan 8.240 nan 0.000 0.485 95 L N 2.022 123.137 121.223 -0.179 0.000 1.971 95 L HA -0.115 4.215 4.340 -0.017 0.000 0.215 95 L C 2.505 179.348 176.870 -0.045 0.000 1.072 95 L CA 2.061 56.922 54.840 0.035 0.000 0.758 95 L CB -0.664 41.601 42.059 0.343 0.000 0.889 95 L HN 0.209 nan 8.230 nan 0.000 0.433 96 Q N -0.940 118.829 119.800 -0.051 0.000 2.084 96 Q HA -0.269 4.061 4.340 -0.017 0.000 0.202 96 Q C 2.122 178.057 176.000 -0.108 0.000 0.978 96 Q CA 1.927 57.692 55.803 -0.062 0.000 0.844 96 Q CB -0.216 28.481 28.738 -0.068 0.000 0.898 96 Q HN 0.661 nan 8.270 nan 0.000 0.426 97 N N -0.877 117.722 118.700 -0.168 0.000 2.149 97 N HA -0.141 4.589 4.740 -0.017 0.000 0.188 97 N C 1.414 176.825 175.510 -0.166 0.000 1.019 97 N CA 2.090 55.032 53.050 -0.180 0.000 0.857 97 N CB -0.177 38.169 38.487 -0.235 0.000 0.997 97 N HN 0.197 nan 8.380 nan 0.000 0.426 98 T N 0.231 114.654 114.554 -0.219 0.000 2.737 98 T HA -0.058 4.282 4.350 -0.017 0.000 0.265 98 T C 1.924 176.565 174.700 -0.099 0.000 1.038 98 T CA 1.172 63.154 62.100 -0.196 0.000 1.144 98 T CB -0.181 68.515 68.868 -0.286 0.000 0.866 98 T HN 0.243 nan 8.240 nan 0.000 0.434 99 M N 0.600 120.160 119.600 -0.066 0.000 2.108 99 M HA -0.106 4.364 4.480 -0.017 0.000 0.261 99 M C 2.460 178.730 176.300 -0.049 0.000 1.066 99 M CA 1.348 56.625 55.300 -0.038 0.000 1.107 99 M CB -0.585 32.009 32.600 -0.010 0.000 1.356 99 M HN 0.108 nan 8.290 nan 0.000 0.406 100 V N 0.733 120.622 119.914 -0.041 0.000 2.295 100 V HA -0.260 3.850 4.120 -0.017 0.000 0.246 100 V C 1.813 177.902 176.094 -0.008 0.000 1.049 100 V CA 1.848 64.144 62.300 -0.007 0.000 1.024 100 V CB -0.852 30.979 31.823 0.014 0.000 0.648 100 V HN 0.463 nan 8.190 nan 0.000 0.447 101 N N -0.228 118.462 118.700 -0.017 0.000 2.381 101 N HA -0.066 4.664 4.740 -0.017 0.000 0.182 101 N C 1.175 176.585 175.510 -0.166 0.000 1.025 101 N CA 0.872 53.889 53.050 -0.055 0.000 0.888 101 N CB -0.174 38.299 38.487 -0.025 0.000 0.965 101 N HN 0.297 nan 8.380 nan 0.000 0.438 102 L N -0.179 120.969 121.223 -0.125 0.000 2.607 102 L HA 0.379 4.709 4.340 -0.017 0.000 0.228 102 L C 0.524 177.313 176.870 -0.135 0.000 1.123 102 L CA -0.086 54.682 54.840 -0.121 0.000 0.890 102 L CB -0.557 41.458 42.059 -0.074 0.000 1.103 102 L HN 0.105 nan 8.230 nan 0.000 0.468 103 A N -0.435 122.302 122.820 -0.138 0.000 2.800 103 A HA -0.219 4.091 4.320 -0.017 0.000 0.292 103 A C 1.108 178.633 177.584 -0.098 0.000 1.474 103 A CA 1.081 53.046 52.037 -0.120 0.000 0.744 103 A CB -1.992 16.921 19.000 -0.145 0.000 1.044 103 A HN 0.318 nan 8.150 nan 0.000 0.489 104 L N -1.004 120.166 121.223 -0.088 0.000 2.731 104 L HA 0.085 4.415 4.340 -0.017 0.000 0.240 104 L C 2.277 179.115 176.870 -0.054 0.000 1.120 104 L CA 0.771 55.556 54.840 -0.091 0.000 0.913 104 L CB -0.015 41.976 42.059 -0.114 0.000 1.213 104 L HN 0.826 nan 8.230 nan 0.000 0.515 105 E N 0.354 120.531 120.200 -0.038 0.000 2.153 105 E HA -0.246 4.094 4.350 -0.017 0.000 0.194 105 E C 1.267 177.855 176.600 -0.020 0.000 0.988 105 E CA 1.687 58.075 56.400 -0.020 0.000 0.811 105 E CB -0.229 29.462 29.700 -0.015 0.000 0.746 105 E HN 0.552 nan 8.360 nan 0.000 0.466 106 N N 1.000 119.683 118.700 -0.030 0.000 2.080 106 N HA -0.085 4.645 4.740 -0.017 0.000 0.189 106 N C 2.009 177.501 175.510 -0.030 0.000 1.036 106 N CA 1.175 54.206 53.050 -0.031 0.000 0.846 106 N CB -0.205 38.262 38.487 -0.034 0.000 1.015 106 N HN 0.286 nan 8.380 nan 0.000 0.423 107 A N 0.408 123.208 122.820 -0.033 0.000 1.933 107 A HA -0.151 4.159 4.320 -0.017 0.000 0.218 107 A C 2.340 179.915 177.584 -0.015 0.000 1.175 107 A CA 1.061 53.082 52.037 -0.027 0.000 0.628 107 A CB -0.922 18.053 19.000 -0.041 0.000 0.814 107 A HN 0.471 nan 8.150 nan 0.000 0.444 108 C N -0.991 118.303 119.300 -0.010 0.000 2.457 108 C HA -0.050 4.400 4.460 -0.017 0.000 0.278 108 C C 2.484 177.476 174.990 0.004 0.000 1.309 108 C CA 1.002 60.026 59.018 0.010 0.000 1.735 108 C CB -0.935 26.823 27.740 0.031 0.000 1.992 108 C HN 0.697 nan 8.230 nan 0.000 0.493 109 D N 0.834 121.234 120.400 0.000 0.000 2.104 109 D HA -0.157 4.473 4.640 -0.017 0.000 0.194 109 D C 2.104 178.412 176.300 0.013 0.000 0.994 109 D CA 1.636 55.638 54.000 0.003 0.000 0.830 109 D CB -0.274 40.516 40.800 -0.017 0.000 0.959 109 D HN 0.446 nan 8.370 nan 0.000 0.452 110 E N 0.359 120.557 120.200 -0.003 0.000 2.051 110 E HA -0.074 4.266 4.350 -0.017 0.000 0.192 110 E C 1.900 178.524 176.600 0.040 0.000 0.991 110 E CA 1.691 58.101 56.400 0.016 0.000 0.799 110 E CB -0.613 29.082 29.700 -0.008 0.000 0.748 110 E HN 0.233 nan 8.360 nan 0.000 0.449 111 A N -0.140 122.678 122.820 -0.003 0.000 1.908 111 A HA -0.217 4.093 4.320 -0.017 0.000 0.218 111 A C 2.482 179.992 177.584 -0.122 0.000 1.181 111 A CA 2.859 54.870 52.037 -0.043 0.000 0.627 111 A CB -1.437 17.542 19.000 -0.035 0.000 0.818 111 A HN 0.521 nan 8.150 nan 0.000 0.445 112 T N -3.726 110.749 114.554 -0.132 0.000 2.821 112 T HA -0.206 4.134 4.350 -0.017 0.000 0.267 112 T C 1.860 176.479 174.700 -0.135 0.000 1.046 112 T CA 1.487 63.452 62.100 -0.226 0.000 1.139 112 T CB -0.599 68.179 68.868 -0.149 0.000 0.871 112 T HN 0.430 nan 8.240 nan 0.000 0.454 113 Y N 2.322 122.540 120.300 -0.136 0.000 2.128 113 Y HA -0.121 4.419 4.550 -0.016 0.000 0.284 113 Y C 2.675 178.511 175.900 -0.106 0.000 1.154 113 Y CA 1.641 59.680 58.100 -0.102 0.000 1.149 113 Y CB -0.517 37.902 38.460 -0.068 0.000 0.976 113 Y HN 0.257 nan 8.280 nan 0.000 0.505 114 Q N -0.392 119.396 119.800 -0.020 0.000 2.364 114 Q HA -0.105 4.224 4.340 -0.017 0.000 0.207 114 Q C 1.745 177.646 176.000 -0.165 0.000 0.970 114 Q CA 1.105 56.856 55.803 -0.086 0.000 0.888 114 Q CB -0.059 28.673 28.738 -0.009 0.000 0.951 114 Q HN 0.522 nan 8.270 nan 0.000 0.469 115 L N -1.166 119.926 121.223 -0.219 0.000 2.607 115 L HA 0.196 4.526 4.340 -0.017 0.000 0.228 115 L C 0.895 177.606 176.870 -0.266 0.000 1.123 115 L CA 0.231 54.925 54.840 -0.244 0.000 0.890 115 L CB 0.334 42.174 42.059 -0.365 0.000 1.103 115 L HN 0.326 nan 8.230 nan 0.000 0.468 116 G N 0.914 109.533 108.800 -0.301 0.000 2.149 116 G HA2 -0.235 3.715 3.960 -0.017 0.000 0.235 116 G HA3 -0.235 3.715 3.960 -0.017 0.000 0.235 116 G C -0.234 174.505 174.900 -0.268 0.000 1.018 116 G CA -0.112 44.812 45.100 -0.293 0.000 0.728 116 G HN 0.221 nan 8.290 nan 0.000 0.508 117 L N -0.463 120.598 121.223 -0.270 0.000 2.323 117 L HA 0.728 5.058 4.340 -0.017 0.000 0.265 117 L C -0.504 176.309 176.870 -0.095 0.000 1.012 117 L CA -1.236 53.475 54.840 -0.214 0.000 0.820 117 L CB 1.972 43.840 42.059 -0.318 0.000 1.334 117 L HN 0.123 nan 8.230 nan 0.000 0.427 118 D N 1.081 121.462 120.400 -0.031 0.000 2.349 118 D HA 0.259 4.889 4.640 -0.017 0.000 0.232 118 D C 0.531 176.858 176.300 0.044 0.000 1.071 118 D CA -0.413 53.606 54.000 0.031 0.000 0.832 118 D CB 1.609 42.434 40.800 0.042 0.000 1.086 118 D HN 0.537 nan 8.370 nan 0.000 0.504 119 M N 2.861 122.492 119.600 0.051 0.000 2.159 119 M HA -0.093 4.377 4.480 -0.017 0.000 0.263 119 M C 1.551 177.891 176.300 0.067 0.000 1.063 119 M CA 1.459 56.797 55.300 0.064 0.000 1.110 119 M CB 0.144 32.776 32.600 0.053 0.000 1.374 119 M HN 0.568 nan 8.290 nan 0.000 0.411 120 E N -0.030 120.201 120.200 0.052 0.000 2.110 120 E HA -0.269 4.070 4.350 -0.017 0.000 0.193 120 E C 1.826 178.455 176.600 0.047 0.000 0.988 120 E CA 1.464 57.891 56.400 0.044 0.000 0.804 120 E CB -0.046 29.677 29.700 0.039 0.000 0.745 120 E HN 0.657 nan 8.360 nan 0.000 0.458 121 E N 0.465 120.698 120.200 0.055 0.000 2.106 121 E HA -0.188 4.152 4.350 -0.017 0.000 0.192 121 E C 2.127 178.760 176.600 0.056 0.000 0.984 121 E CA 0.658 57.091 56.400 0.055 0.000 0.806 121 E CB -0.044 29.691 29.700 0.058 0.000 0.750 121 E HN 0.288 nan 8.360 nan 0.000 0.458 122 L N 0.654 121.931 121.223 0.089 0.000 2.056 122 L HA -0.150 4.180 4.340 -0.017 0.000 0.207 122 L C 2.479 179.386 176.870 0.061 0.000 1.078 122 L CA 1.436 56.359 54.840 0.139 0.000 0.749 122 L CB -0.453 41.744 42.059 0.230 0.000 0.901 122 L HN 0.192 nan 8.230 nan 0.000 0.433 123 E N -0.169 120.064 120.200 0.055 0.000 2.153 123 E HA -0.207 4.133 4.350 -0.017 0.000 0.194 123 E C 1.894 178.432 176.600 -0.104 0.000 0.988 123 E CA 0.739 57.138 56.400 -0.003 0.000 0.811 123 E CB 0.068 29.783 29.700 0.024 0.000 0.746 123 E HN 0.308 nan 8.360 nan 0.000 0.466 124 E N 0.224 120.385 120.200 -0.064 0.000 2.478 124 E HA -0.075 4.265 4.350 -0.017 0.000 0.198 124 E C 1.670 178.200 176.600 -0.116 0.000 1.046 124 E CA 0.428 56.795 56.400 -0.054 0.000 0.870 124 E CB 0.080 29.788 29.700 0.014 0.000 0.818 124 E HN 0.404 nan 8.360 nan 0.000 0.527 125 I N 0.434 120.859 120.570 -0.241 0.000 2.876 125 I HA -0.069 4.090 4.170 -0.017 0.000 0.264 125 I C 1.230 177.044 176.117 -0.504 0.000 1.204 125 I CA 0.084 61.185 61.300 -0.331 0.000 1.485 125 I CB 0.171 37.966 38.000 -0.342 0.000 1.103 125 I HN -0.027 nan 8.210 nan 0.000 0.446 126 E N 2.646 122.433 120.200 -0.689 0.000 2.414 126 E HA -0.039 4.301 4.350 -0.017 0.000 0.263 126 E C -0.129 176.390 176.600 -0.136 0.000 1.000 126 E CA -0.098 55.984 56.400 -0.530 0.000 0.914 126 E CB 0.644 30.136 29.700 -0.348 0.000 0.948 126 E HN 0.089 nan 8.360 nan 0.000 0.444 127 E N 3.081 123.291 120.200 0.018 0.000 2.366 127 E HA 0.054 4.393 4.350 -0.017 0.000 0.266 127 E C -0.837 175.866 176.600 0.170 0.000 1.051 127 E CA -0.258 56.229 56.400 0.146 0.000 0.884 127 E CB 0.949 30.818 29.700 0.282 0.000 1.006 127 E HN 0.492 nan 8.360 nan 0.000 0.417 128 D N 0.594 121.081 120.400 0.144 0.000 2.350 128 D HA 0.220 4.850 4.640 -0.017 0.000 0.249 128 D C -0.745 175.628 176.300 0.121 0.000 1.119 128 D CA -0.117 53.948 54.000 0.109 0.000 0.886 128 D CB 0.860 41.714 40.800 0.091 0.000 1.195 128 D HN 0.358 nan 8.370 nan 0.000 0.437 129 A N 2.655 125.513 122.820 0.064 0.000 2.527 129 A HA 0.505 4.814 4.320 -0.017 0.000 0.313 129 A C 0.859 178.333 177.584 -0.184 0.000 1.410 129 A CA -0.396 51.526 52.037 -0.191 0.000 1.060 129 A CB 0.041 18.982 19.000 -0.099 0.000 1.137 129 A HN 0.500 nan 8.150 nan 0.000 0.542 130 G N 2.316 110.914 108.800 -0.337 0.000 3.939 130 G HA2 0.434 4.384 3.960 -0.017 0.000 0.268 130 G HA3 0.434 4.384 3.960 -0.017 0.000 0.268 130 G C 0.213 174.783 174.900 -0.550 0.000 1.172 130 G CA -0.297 44.578 45.100 -0.374 0.000 1.614 130 G HN 0.686 nan 8.290 nan 0.000 0.639 131 L N 1.594 122.580 121.223 -0.394 0.000 2.955 131 L HA 0.400 4.730 4.340 -0.017 0.000 0.238 131 L C 0.974 177.771 176.870 -0.122 0.000 1.359 131 L CA -0.229 54.519 54.840 -0.153 0.000 1.214 131 L CB -0.278 41.813 42.059 0.054 0.000 1.600 131 L HN 0.335 nan 8.230 nan 0.000 0.442 132 G N -1.221 107.294 108.800 -0.475 0.000 2.646 132 G HA2 0.188 4.137 3.960 -0.017 0.000 0.291 132 G HA3 0.188 4.137 3.960 -0.017 0.000 0.291 132 G C -0.163 174.426 174.900 -0.518 0.000 1.445 132 G CA -0.456 44.414 45.100 -0.384 0.000 0.814 132 G HN -0.058 nan 8.290 nan 0.000 0.495 133 N N -0.761 117.835 118.700 -0.172 0.000 2.439 133 N HA 0.203 4.933 4.740 -0.017 0.000 0.176 133 N C 1.191 176.757 175.510 0.094 0.000 1.029 133 N CA 1.337 54.349 53.050 -0.065 0.000 0.886 133 N CB 1.195 39.708 38.487 0.043 0.000 1.057 133 N HN 0.830 nan 8.380 nan 0.000 0.437 134 G N -0.712 108.203 108.800 0.191 0.000 2.927 134 G HA2 0.172 4.122 3.960 -0.017 0.000 0.111 134 G HA3 0.172 4.122 3.960 -0.017 0.000 0.111 134 G C 0.754 175.767 174.900 0.188 0.000 1.198 134 G CA 0.262 45.512 45.100 0.250 0.000 1.382 134 G HN 0.164 nan 8.290 nan 0.000 0.663 135 G N 0.427 109.296 108.800 0.115 0.000 2.446 135 G HA2 -0.069 3.880 3.960 -0.017 0.000 0.217 135 G HA3 -0.069 3.880 3.960 -0.017 0.000 0.217 135 G C 1.890 176.794 174.900 0.007 0.000 1.168 135 G CA 1.493 46.623 45.100 0.051 0.000 0.771 135 G HN 0.684 nan 8.290 nan 0.000 0.551 136 L N 0.673 121.887 121.223 -0.016 0.000 2.017 136 L HA 0.073 4.403 4.340 -0.017 0.000 0.208 136 L C 2.895 179.715 176.870 -0.083 0.000 1.073 136 L CA 2.012 56.768 54.840 -0.140 0.000 0.745 136 L CB -0.539 41.413 42.059 -0.177 0.000 0.894 136 L HN 0.244 nan 8.230 nan 0.000 0.432 137 G N -0.950 107.860 108.800 0.017 0.000 2.408 137 G HA2 -0.295 3.655 3.960 -0.017 0.000 0.217 137 G HA3 -0.295 3.655 3.960 -0.017 0.000 0.217 137 G C 1.640 176.611 174.900 0.119 0.000 1.150 137 G CA 0.668 45.801 45.100 0.055 0.000 0.776 137 G HN 0.261 nan 8.290 nan 0.000 0.542 138 R N 0.062 120.648 120.500 0.144 0.000 2.115 138 R HA 0.128 4.457 4.340 -0.017 0.000 0.226 138 R C 2.316 178.623 176.300 0.011 0.000 1.100 138 R CA 0.788 56.950 56.100 0.104 0.000 0.980 138 R CB -0.894 29.432 30.300 0.044 0.000 0.875 138 R HN 0.340 nan 8.270 nan 0.000 0.445 139 L N 0.134 121.298 121.223 -0.099 0.000 2.046 139 L HA -0.006 4.324 4.340 -0.017 0.000 0.208 139 L C 2.057 178.651 176.870 -0.461 0.000 1.077 139 L CA 2.153 56.799 54.840 -0.322 0.000 0.747 139 L CB -0.785 41.040 42.059 -0.390 0.000 0.896 139 L HN 0.237 nan 8.230 nan 0.000 0.432 140 A N -0.565 122.119 122.820 -0.227 0.000 1.933 140 A HA -0.131 4.179 4.320 -0.017 0.000 0.218 140 A C 2.432 180.082 177.584 0.111 0.000 1.175 140 A CA 1.786 53.772 52.037 -0.086 0.000 0.628 140 A CB -1.105 17.831 19.000 -0.105 0.000 0.814 140 A HN 0.571 nan 8.150 nan 0.000 0.444 141 A N -1.277 121.638 122.820 0.159 0.000 1.930 141 A HA -0.117 4.193 4.320 -0.017 0.000 0.217 141 A C 2.288 179.949 177.584 0.129 0.000 1.175 141 A CA 1.544 53.697 52.037 0.193 0.000 0.627 141 A CB -1.158 17.945 19.000 0.173 0.000 0.815 141 A HN 0.578 nan 8.150 nan 0.000 0.443 142 C N -1.649 117.724 119.300 0.121 0.000 2.446 142 C HA -0.038 4.412 4.460 -0.017 0.000 0.277 142 C C 2.467 177.616 174.990 0.265 0.000 1.275 142 C CA 0.674 59.801 59.018 0.183 0.000 1.727 142 C CB -1.638 26.230 27.740 0.212 0.000 2.010 142 C HN 0.677 nan 8.230 nan 0.000 0.486 143 F N -0.135 119.803 119.950 -0.019 0.000 2.134 143 F HA -0.180 4.337 4.527 -0.017 0.000 0.299 143 F C 2.263 178.003 175.800 -0.098 0.000 1.097 143 F CA 0.502 58.438 58.000 -0.107 0.000 1.264 143 F CB -0.309 38.498 39.000 -0.321 0.000 1.001 143 F HN 0.153 nan 8.300 nan 0.000 0.479 144 L N 0.649 121.951 121.223 0.131 0.000 2.046 144 L HA -0.273 4.057 4.340 -0.017 0.000 0.208 144 L C 1.903 178.784 176.870 0.018 0.000 1.077 144 L CA 1.963 56.833 54.840 0.051 0.000 0.747 144 L CB -1.048 41.048 42.059 0.062 0.000 0.896 144 L HN 0.076 nan 8.230 nan 0.000 0.432 145 D N -1.805 118.616 120.400 0.035 0.000 2.117 145 D HA -0.164 4.466 4.640 -0.017 0.000 0.197 145 D C 2.157 178.470 176.300 0.023 0.000 0.987 145 D CA 1.349 55.354 54.000 0.008 0.000 0.829 145 D CB 0.203 41.006 40.800 0.006 0.000 0.961 145 D HN 0.195 nan 8.370 nan 0.000 0.460 146 S N -0.749 114.982 115.700 0.051 0.000 2.368 146 S HA -0.070 4.390 4.470 -0.017 0.000 0.224 146 S C 1.957 176.568 174.600 0.017 0.000 1.029 146 S CA 0.762 58.984 58.200 0.037 0.000 0.988 146 S CB -0.188 63.039 63.200 0.045 0.000 0.838 146 S HN 0.339 nan 8.310 nan 0.000 0.462 147 M N 0.907 120.510 119.600 0.006 0.000 2.213 147 M HA -0.083 4.387 4.480 -0.017 0.000 0.263 147 M C 2.374 178.675 176.300 0.001 0.000 1.062 147 M CA 1.305 56.606 55.300 0.002 0.000 1.105 147 M CB -0.443 32.139 32.600 -0.030 0.000 1.385 147 M HN 0.392 nan 8.290 nan 0.000 0.417 148 A N -0.361 122.455 122.820 -0.007 0.000 1.897 148 A HA -0.103 4.207 4.320 -0.017 0.000 0.215 148 A C 2.148 179.742 177.584 0.016 0.000 1.181 148 A CA 1.878 53.912 52.037 -0.006 0.000 0.620 148 A CB -0.994 17.985 19.000 -0.036 0.000 0.821 148 A HN 0.392 nan 8.150 nan 0.000 0.443 149 T N 0.331 114.900 114.554 0.025 0.000 2.915 149 T HA 0.032 4.372 4.350 -0.017 0.000 0.269 149 T C 1.249 175.976 174.700 0.044 0.000 1.071 149 T CA 0.913 63.041 62.100 0.047 0.000 1.132 149 T CB -0.248 68.657 68.868 0.061 0.000 0.878 149 T HN 0.322 nan 8.240 nan 0.000 0.479 150 L N 0.510 121.756 121.223 0.038 0.000 2.653 150 L HA 0.294 4.624 4.340 -0.017 0.000 0.231 150 L C 1.593 178.493 176.870 0.050 0.000 1.153 150 L CA -0.088 54.777 54.840 0.042 0.000 0.933 150 L CB -0.522 41.562 42.059 0.041 0.000 1.175 150 L HN 0.377 nan 8.230 nan 0.000 0.473 151 G N 1.390 110.223 108.800 0.054 0.000 2.305 151 G HA2 -0.288 3.661 3.960 -0.017 0.000 0.287 151 G HA3 -0.288 3.661 3.960 -0.017 0.000 0.287 151 G C 0.084 175.037 174.900 0.088 0.000 1.036 151 G CA 0.143 45.292 45.100 0.083 0.000 0.887 151 G HN 0.307 nan 8.290 nan 0.000 0.505 152 L N -0.330 120.919 121.223 0.043 0.000 2.334 152 L HA 0.630 4.960 4.340 -0.017 0.000 0.277 152 L C 1.165 177.959 176.870 -0.126 0.000 1.075 152 L CA -0.442 54.382 54.840 -0.026 0.000 0.804 152 L CB 1.673 43.719 42.059 -0.020 0.000 1.174 152 L HN 0.245 nan 8.230 nan 0.000 0.438 153 A N 2.890 125.509 122.820 -0.335 0.000 2.990 153 A HA 0.572 4.882 4.320 -0.017 0.000 0.282 153 A C 0.304 177.609 177.584 -0.465 0.000 1.688 153 A CA -0.184 51.427 52.037 -0.710 0.000 1.391 153 A CB -0.662 17.740 19.000 -0.996 0.000 1.112 153 A HN 0.695 nan 8.150 nan 0.000 0.588 154 A N 1.378 123.954 122.820 -0.407 0.000 2.325 154 A HA 0.803 5.112 4.320 -0.017 0.000 0.333 154 A C -1.093 176.201 177.584 -0.483 0.000 1.155 154 A CA -0.431 51.395 52.037 -0.351 0.000 0.814 154 A CB 0.719 19.579 19.000 -0.232 0.000 1.206 154 A HN 0.589 nan 8.150 nan 0.000 0.482 155 Y N 0.135 120.373 120.300 -0.103 0.000 2.406 155 Y HA 0.553 5.093 4.550 -0.017 0.000 0.340 155 Y C 0.745 176.719 175.900 0.122 0.000 0.975 155 Y CA -0.699 57.401 58.100 0.001 0.000 1.056 155 Y CB 2.237 40.766 38.460 0.116 0.000 1.210 155 Y HN 0.832 nan 8.280 nan 0.000 0.448 156 G N 2.033 110.906 108.800 0.121 0.000 2.332 156 G HA2 0.473 4.423 3.960 -0.017 0.000 0.310 156 G HA3 0.473 4.423 3.960 -0.017 0.000 0.310 156 G C -1.808 173.131 174.900 0.065 0.000 1.123 156 G CA -0.336 44.899 45.100 0.225 0.000 0.873 156 G HN 0.501 nan 8.290 nan 0.000 0.460 157 Y N 0.979 121.529 120.300 0.418 0.000 2.350 157 Y HA 0.635 5.175 4.550 -0.017 0.000 0.338 157 Y C 0.750 176.963 175.900 0.522 0.000 0.961 157 Y CA 0.184 58.491 58.100 0.345 0.000 1.100 157 Y CB 2.649 41.335 38.460 0.377 0.000 1.179 157 Y HN 0.873 nan 8.280 nan 0.000 0.454 158 G N 2.375 111.514 108.800 0.566 0.000 2.753 158 G HA2 0.596 4.546 3.960 -0.017 0.000 0.303 158 G HA3 0.596 4.546 3.960 -0.017 0.000 0.303 158 G C -1.736 173.416 174.900 0.419 0.000 1.242 158 G CA -0.832 44.627 45.100 0.598 0.000 0.810 158 G HN 0.427 nan 8.290 nan 0.000 0.515 159 I N 0.550 121.256 120.570 0.228 0.000 2.441 159 I HA 0.433 4.593 4.170 -0.017 0.000 0.295 159 I C 0.269 176.275 176.117 -0.185 0.000 0.994 159 I CA -0.730 60.587 61.300 0.030 0.000 1.144 159 I CB 2.215 40.068 38.000 -0.245 0.000 1.314 159 I HN 0.375 nan 8.210 nan 0.000 0.445 160 R N 6.166 126.663 120.500 -0.005 0.000 2.593 160 R HA 0.237 4.567 4.340 -0.017 0.000 0.282 160 R C -1.242 175.095 176.300 0.062 0.000 1.300 160 R CA -0.455 55.670 56.100 0.042 0.000 1.221 160 R CB -0.037 30.273 30.300 0.017 0.000 1.157 160 R HN 0.393 nan 8.270 nan 0.000 0.555 161 Y N 1.422 121.874 120.300 0.253 0.000 2.511 161 Y HA -0.075 4.465 4.550 -0.017 0.000 0.332 161 Y C 1.538 177.612 175.900 0.291 0.000 1.177 161 Y CA 0.085 58.325 58.100 0.233 0.000 1.422 161 Y CB 0.746 39.319 38.460 0.187 0.000 1.271 161 Y HN 0.576 nan 8.280 nan 0.000 0.550 162 E N 1.695 122.084 120.200 0.315 0.000 2.152 162 E HA -0.024 4.316 4.350 -0.017 0.000 0.192 162 E C -0.778 175.710 176.600 -0.187 0.000 0.983 162 E CA 0.616 57.007 56.400 -0.016 0.000 0.818 162 E CB 0.200 29.800 29.700 -0.166 0.000 0.758 162 E HN 0.485 nan 8.360 nan 0.000 0.467 163 F N -0.501 119.674 119.950 0.375 0.000 2.507 163 F HA 0.416 4.933 4.527 -0.017 0.000 0.328 163 F C 0.744 176.634 175.800 0.151 0.000 1.136 163 F CA -0.963 57.215 58.000 0.296 0.000 0.930 163 F CB 1.836 40.936 39.000 0.166 0.000 1.166 163 F HN -0.140 nan 8.300 nan 0.000 0.436 164 G N 1.800 110.704 108.800 0.173 0.000 2.582 164 G HA2 0.336 4.286 3.960 -0.017 0.000 0.232 164 G HA3 0.336 4.286 3.960 -0.017 0.000 0.232 164 G C -0.529 174.331 174.900 -0.068 0.000 1.458 164 G CA -0.673 44.371 45.100 -0.094 0.000 1.062 164 G HN 0.559 nan 8.290 nan 0.000 0.566 165 I N 1.087 121.533 120.570 -0.206 0.000 2.752 165 I HA 0.214 4.373 4.170 -0.017 0.000 0.289 165 I C 0.607 176.640 176.117 -0.139 0.000 1.197 165 I CA -1.129 60.039 61.300 -0.221 0.000 1.432 165 I CB -0.400 37.368 38.000 -0.387 0.000 1.359 165 I HN 0.339 nan 8.210 nan 0.000 0.571 166 F N 6.337 126.291 119.950 0.007 0.000 2.628 166 F HA 0.235 4.752 4.527 -0.017 0.000 0.346 166 F C 0.447 176.293 175.800 0.077 0.000 1.188 166 F CA -0.448 57.580 58.000 0.047 0.000 1.376 166 F CB -0.199 38.817 39.000 0.027 0.000 1.104 166 F HN 0.439 nan 8.300 nan 0.000 0.616 167 N N 1.752 120.629 118.700 0.295 0.000 2.472 167 N HA 0.093 4.823 4.740 -0.017 0.000 0.277 167 N C -1.062 174.670 175.510 0.369 0.000 1.081 167 N CA -0.388 52.796 53.050 0.223 0.000 0.973 167 N CB 1.378 39.993 38.487 0.213 0.000 1.105 167 N HN 0.722 nan 8.380 nan 0.000 0.470 168 Q N 2.441 122.419 119.800 0.295 0.000 2.303 168 Q HA 0.209 4.539 4.340 -0.017 0.000 0.257 168 Q C -0.974 175.198 176.000 0.287 0.000 0.941 168 Q CA -0.397 55.630 55.803 0.372 0.000 0.931 168 Q CB 0.748 29.698 28.738 0.353 0.000 1.215 168 Q HN 0.319 nan 8.270 nan 0.000 0.437 169 K N 4.218 124.768 120.400 0.250 0.000 2.207 169 K HA 0.488 4.798 4.320 -0.017 0.000 0.255 169 K C -0.641 176.069 176.600 0.183 0.000 0.941 169 K CA -0.968 55.442 56.287 0.204 0.000 0.825 169 K CB 1.612 34.206 32.500 0.157 0.000 1.119 169 K HN 0.562 nan 8.250 nan 0.000 0.430 170 I N 2.529 123.204 120.570 0.175 0.000 2.330 170 I HA 0.191 4.351 4.170 -0.017 0.000 0.289 170 I C -0.345 175.843 176.117 0.118 0.000 1.001 170 I CA -0.645 60.733 61.300 0.129 0.000 1.193 170 I CB 0.780 38.848 38.000 0.113 0.000 1.345 170 I HN 0.552 nan 8.210 nan 0.000 0.461 171 C N 4.151 123.529 119.300 0.131 0.000 2.322 171 C HA 0.580 5.029 4.460 -0.017 0.000 0.324 171 C C 1.159 176.263 174.990 0.189 0.000 1.249 171 C CA -0.394 58.703 59.018 0.132 0.000 1.453 171 C CB 0.423 28.230 27.740 0.112 0.000 2.145 171 C HN 1.089 nan 8.230 nan 0.000 0.466 172 G N 2.649 111.534 108.800 0.140 0.000 2.249 172 G HA2 0.104 4.054 3.960 -0.017 0.000 0.273 172 G HA3 0.104 4.054 3.960 -0.017 0.000 0.273 172 G C 1.090 176.038 174.900 0.079 0.000 1.036 172 G CA 0.966 46.162 45.100 0.161 0.000 0.824 172 G HN 2.339 nan 8.290 nan 0.000 0.504 173 G N -2.928 105.856 108.800 -0.027 0.000 2.179 173 G HA2 -0.295 3.655 3.960 -0.017 0.000 0.260 173 G HA3 -0.295 3.655 3.960 -0.017 0.000 0.260 173 G C 0.387 175.078 174.900 -0.349 0.000 0.977 173 G CA 0.699 45.659 45.100 -0.234 0.000 0.641 173 G HN 1.210 nan 8.290 nan 0.000 0.533 174 W N 0.816 122.071 121.300 -0.075 0.000 2.516 174 W HA 0.673 5.322 4.660 -0.017 0.000 0.343 174 W C 0.601 177.076 176.519 -0.073 0.000 1.094 174 W CA -0.842 56.453 57.345 -0.084 0.000 1.250 174 W CB 0.825 30.251 29.460 -0.056 0.000 1.308 174 W HN 0.253 nan 8.180 nan 0.000 0.588 175 Q N 2.912 122.824 119.800 0.186 0.000 2.288 175 Q HA 0.347 4.677 4.340 -0.017 0.000 0.254 175 Q C -0.681 175.387 176.000 0.114 0.000 0.932 175 Q CA -0.029 55.850 55.803 0.127 0.000 0.902 175 Q CB 0.672 29.477 28.738 0.112 0.000 1.203 175 Q HN 0.338 nan 8.270 nan 0.000 0.415 176 M N 3.084 122.746 119.600 0.104 0.000 2.395 176 M HA 0.375 4.845 4.480 -0.017 0.000 0.307 176 M C -1.250 175.075 176.300 0.040 0.000 1.091 176 M CA -0.651 54.676 55.300 0.045 0.000 0.919 176 M CB 1.835 34.472 32.600 0.061 0.000 1.662 176 M HN 0.637 nan 8.290 nan 0.000 0.440 177 E N 1.383 121.529 120.200 -0.089 0.000 2.191 177 E HA 0.471 4.811 4.350 -0.017 0.000 0.278 177 E C -0.922 175.671 176.600 -0.011 0.000 0.972 177 E CA -0.327 55.982 56.400 -0.152 0.000 0.804 177 E CB 1.724 31.032 29.700 -0.654 0.000 1.110 177 E HN 0.400 nan 8.360 nan 0.000 0.394 178 E N 1.170 121.453 120.200 0.138 0.000 2.234 178 E HA 0.504 4.844 4.350 -0.017 0.000 0.266 178 E C -1.082 175.614 176.600 0.159 0.000 0.877 178 E CA -1.033 55.436 56.400 0.115 0.000 0.758 178 E CB 1.662 31.443 29.700 0.136 0.000 1.170 178 E HN 0.640 nan 8.360 nan 0.000 0.415 179 A N 3.078 125.942 122.820 0.072 0.000 2.565 179 A HA -0.061 4.249 4.320 -0.017 0.000 0.237 179 A C 0.054 177.797 177.584 0.264 0.000 1.053 179 A CA 0.330 52.413 52.037 0.077 0.000 0.755 179 A CB 0.051 18.932 19.000 -0.198 0.000 0.980 179 A HN 0.623 nan 8.150 nan 0.000 0.506 180 D N 1.556 122.188 120.400 0.386 0.000 2.468 180 D HA 0.224 4.854 4.640 -0.017 0.000 0.218 180 D C -0.448 176.193 176.300 0.568 0.000 1.155 180 D CA -0.213 54.026 54.000 0.400 0.000 0.924 180 D CB 0.411 41.379 40.800 0.280 0.000 1.029 180 D HN 0.374 nan 8.370 nan 0.000 0.515 181 D N 4.001 124.692 120.400 0.485 0.000 2.801 181 D HA -0.018 4.611 4.640 -0.017 0.000 0.232 181 D C 1.119 177.557 176.300 0.231 0.000 1.128 181 D CA -0.493 53.711 54.000 0.340 0.000 1.003 181 D CB -0.183 40.801 40.800 0.307 0.000 1.110 181 D HN 0.559 nan 8.370 nan 0.000 0.477 182 W N 1.473 122.813 121.300 0.066 0.000 2.538 182 W HA -0.064 4.586 4.660 -0.017 0.000 0.254 182 W C -0.008 176.559 176.519 0.080 0.000 1.249 182 W CA 0.170 57.570 57.345 0.091 0.000 1.253 182 W CB -0.738 28.778 29.460 0.094 0.000 1.130 182 W HN 0.196 nan 8.180 nan 0.000 0.618 183 L N 0.824 121.687 121.223 -0.600 0.000 2.640 183 L HA 0.190 4.520 4.340 -0.017 0.000 0.230 183 L C 2.620 179.312 176.870 -0.297 0.000 1.123 183 L CA -0.134 54.318 54.840 -0.647 0.000 0.900 183 L CB -0.569 40.976 42.059 -0.857 0.000 1.146 183 L HN -0.144 nan 8.230 nan 0.000 0.484 184 R N 0.709 121.095 120.500 -0.190 0.000 2.113 184 R HA -0.239 4.091 4.340 -0.017 0.000 0.244 184 R C 1.329 177.416 176.300 -0.355 0.000 1.142 184 R CA 2.199 58.144 56.100 -0.259 0.000 0.953 184 R CB -0.278 29.853 30.300 -0.282 0.000 0.860 184 R HN 0.290 nan 8.270 nan 0.000 0.438 185 Y N -0.598 119.718 120.300 0.027 0.000 2.468 185 Y HA 0.367 4.907 4.550 -0.017 0.000 0.268 185 Y C 0.724 176.614 175.900 -0.017 0.000 1.177 185 Y CA 0.398 58.524 58.100 0.044 0.000 1.265 185 Y CB 0.818 39.422 38.460 0.239 0.000 1.103 185 Y HN 0.407 nan 8.280 nan 0.000 0.522 186 G N 1.328 110.156 108.800 0.046 0.000 2.690 186 G HA2 -0.222 3.728 3.960 -0.017 0.000 0.686 186 G HA3 -0.222 3.728 3.960 -0.017 0.000 0.686 186 G C -1.199 173.756 174.900 0.092 0.000 1.277 186 G CA -0.841 44.252 45.100 -0.011 0.000 0.799 186 G HN 0.241 nan 8.290 nan 0.000 0.613 187 N N 1.379 120.078 118.700 -0.002 0.000 2.569 187 N HA 0.557 5.286 4.740 -0.017 0.000 0.254 187 N C -0.580 174.916 175.510 -0.022 0.000 1.004 187 N CA -2.002 51.069 53.050 0.036 0.000 0.904 187 N CB 1.934 40.392 38.487 -0.048 0.000 1.165 187 N HN 0.249 nan 8.380 nan 0.000 0.513 188 P HA -0.015 nan 4.420 nan 0.000 0.230 188 P C 0.546 177.507 177.300 -0.565 0.000 1.158 188 P CA 0.808 63.584 63.100 -0.540 0.000 0.769 188 P CB 0.077 31.163 31.700 -1.023 0.000 0.807 189 W N 1.762 123.077 121.300 0.025 0.000 2.737 189 W HA 0.073 4.723 4.660 -0.017 0.000 0.262 189 W C 1.276 177.840 176.519 0.075 0.000 1.282 189 W CA -0.417 56.940 57.345 0.019 0.000 1.386 189 W CB -0.188 29.280 29.460 0.014 0.000 1.099 189 W HN 0.018 nan 8.180 nan 0.000 0.621 190 E N 1.704 122.077 120.200 0.288 0.000 2.283 190 E HA 0.383 4.723 4.350 -0.017 0.000 0.267 190 E C -0.685 176.084 176.600 0.282 0.000 1.045 190 E CA -0.829 55.753 56.400 0.303 0.000 0.884 190 E CB 1.469 31.359 29.700 0.315 0.000 1.106 190 E HN -0.294 nan 8.360 nan 0.000 0.408 191 K N 1.537 122.116 120.400 0.299 0.000 2.579 191 K HA 0.438 4.748 4.320 -0.017 0.000 0.250 191 K C -1.243 175.376 176.600 0.031 0.000 0.952 191 K CA -0.434 55.958 56.287 0.175 0.000 0.857 191 K CB 1.638 34.245 32.500 0.178 0.000 1.123 191 K HN 0.673 nan 8.250 nan 0.000 0.433 192 A N 4.089 126.826 122.820 -0.138 0.000 2.462 192 A HA 0.379 4.689 4.320 -0.017 0.000 0.243 192 A C -0.331 177.053 177.584 -0.334 0.000 1.076 192 A CA -0.162 51.530 52.037 -0.575 0.000 0.773 192 A CB 0.236 18.895 19.000 -0.568 0.000 1.010 192 A HN 0.692 nan 8.150 nan 0.000 0.493 193 R N 3.097 123.393 120.500 -0.339 0.000 2.748 193 R HA 0.204 4.534 4.340 -0.017 0.000 0.283 193 R C -2.453 173.729 176.300 -0.197 0.000 1.507 193 R CA -1.615 54.364 56.100 -0.202 0.000 1.666 193 R CB 0.737 31.057 30.300 0.033 0.000 1.237 193 R HN 0.562 nan 8.270 nan 0.000 0.633 194 P HA -0.184 nan 4.420 nan 0.000 0.221 194 P C 0.943 178.158 177.300 -0.142 0.000 1.145 194 P CA 1.133 64.155 63.100 -0.130 0.000 0.795 194 P CB 0.372 32.002 31.700 -0.116 0.000 0.775 195 E N -0.454 119.558 120.200 -0.314 0.000 2.409 195 E HA -0.126 4.214 4.350 -0.017 0.000 0.198 195 E C 0.447 176.853 176.600 -0.323 0.000 1.024 195 E CA 0.811 56.973 56.400 -0.396 0.000 0.861 195 E CB -0.707 28.615 29.700 -0.630 0.000 0.788 195 E HN 0.251 nan 8.360 nan 0.000 0.521 196 F N 1.747 121.712 119.950 0.026 0.000 2.772 196 F HA 0.289 4.805 4.527 -0.017 0.000 0.302 196 F C 0.345 176.235 175.800 0.150 0.000 1.136 196 F CA -0.814 57.230 58.000 0.074 0.000 1.322 196 F CB 0.060 39.098 39.000 0.064 0.000 0.967 196 F HN -0.292 nan 8.300 nan 0.000 0.513 197 T N 2.993 117.695 114.554 0.248 0.000 2.930 197 T HA 0.430 4.770 4.350 -0.017 0.000 0.306 197 T C 0.086 174.891 174.700 0.175 0.000 1.045 197 T CA 0.391 62.630 62.100 0.232 0.000 1.134 197 T CB 0.644 69.599 68.868 0.144 0.000 0.961 197 T HN 0.018 nan 8.240 nan 0.000 0.545 198 L N 5.023 126.314 121.223 0.114 0.000 2.388 198 L HA 0.528 4.858 4.340 -0.017 0.000 0.264 198 L C -2.283 174.534 176.870 -0.088 0.000 0.998 198 L CA -2.560 52.274 54.840 -0.011 0.000 0.817 198 L CB 2.507 44.504 42.059 -0.103 0.000 1.338 198 L HN 0.401 nan 8.230 nan 0.000 0.414 199 P HA 0.284 nan 4.420 nan 0.000 0.284 199 P C -1.160 175.979 177.300 -0.269 0.000 1.253 199 P CA -0.382 62.612 63.100 -0.176 0.000 0.800 199 P CB 1.994 33.582 31.700 -0.187 0.000 0.961 200 V N 3.722 123.454 119.914 -0.304 0.000 2.588 200 V HA 0.316 4.425 4.120 -0.017 0.000 0.304 200 V C -0.271 175.555 176.094 -0.447 0.000 1.042 200 V CA -0.549 61.555 62.300 -0.327 0.000 0.877 200 V CB 1.415 33.090 31.823 -0.245 0.000 0.996 200 V HN 0.588 nan 8.190 nan 0.000 0.425 201 H N 3.692 122.565 119.070 -0.328 0.000 2.479 201 H HA 0.772 5.318 4.556 -0.017 0.000 0.335 201 H C -1.125 173.871 175.328 -0.554 0.000 1.142 201 H CA -0.259 55.511 56.048 -0.462 0.000 1.234 201 H CB 1.373 30.612 29.762 -0.873 0.000 1.503 201 H HN 0.491 nan 8.280 nan 0.000 0.510 202 F N 0.535 120.517 119.950 0.052 0.000 2.613 202 F HA 0.318 4.834 4.527 -0.017 0.000 0.314 202 F C -0.210 175.678 175.800 0.147 0.000 1.075 202 F CA -0.819 57.203 58.000 0.036 0.000 0.945 202 F CB 0.837 39.754 39.000 -0.139 0.000 1.310 202 F HN 0.625 nan 8.300 nan 0.000 0.467 203 Y N 0.257 120.845 120.300 0.481 0.000 2.887 203 Y HA -0.048 4.492 4.550 -0.017 0.000 0.467 203 Y C 1.429 177.588 175.900 0.431 0.000 1.191 203 Y CA 0.866 59.175 58.100 0.348 0.000 2.539 203 Y CB -1.822 36.770 38.460 0.220 0.000 1.225 203 Y HN 1.263 nan 8.280 nan 0.000 0.630 204 G N 0.594 109.676 108.800 0.470 0.000 2.645 204 G HA2 0.042 3.992 3.960 -0.017 0.000 0.239 204 G HA3 0.042 3.992 3.960 -0.017 0.000 0.239 204 G C -0.847 174.268 174.900 0.359 0.000 1.331 204 G CA 0.354 45.654 45.100 0.334 0.000 0.890 204 G HN 1.160 nan 8.290 nan 0.000 0.572 205 R N -2.229 118.465 120.500 0.323 0.000 2.817 205 R HA 0.749 5.079 4.340 -0.017 0.000 0.268 205 R C -1.259 175.164 176.300 0.205 0.000 1.027 205 R CA -1.091 55.140 56.100 0.217 0.000 0.928 205 R CB 1.672 32.051 30.300 0.131 0.000 1.228 205 R HN 0.687 nan 8.270 nan 0.000 0.469 206 V N 1.157 121.107 119.914 0.060 0.000 2.435 206 V HA 0.336 4.445 4.120 -0.017 0.000 0.290 206 V C -0.210 175.811 176.094 -0.122 0.000 1.030 206 V CA -0.484 61.782 62.300 -0.056 0.000 0.881 206 V CB 1.217 32.936 31.823 -0.173 0.000 0.983 206 V HN 0.878 nan 8.190 nan 0.000 0.445 207 E N 4.294 124.397 120.200 -0.161 0.000 2.248 207 E HA 0.451 4.791 4.350 -0.017 0.000 0.267 207 E C -1.269 175.182 176.600 -0.249 0.000 0.877 207 E CA -0.867 55.452 56.400 -0.135 0.000 0.759 207 E CB 1.655 31.342 29.700 -0.021 0.000 1.182 207 E HN 0.724 nan 8.360 nan 0.000 0.418 208 H N 2.981 122.065 119.070 0.022 0.000 2.594 208 H HA 0.184 4.730 4.556 -0.017 0.000 0.304 208 H C 0.214 175.551 175.328 0.014 0.000 1.068 208 H CA -0.172 55.885 56.048 0.015 0.000 1.308 208 H CB 1.515 31.282 29.762 0.008 0.000 1.409 208 H HN 0.716 nan 8.280 nan 0.000 0.460 209 T N -0.698 113.913 114.554 0.095 0.000 2.897 209 T HA 0.084 4.424 4.350 -0.017 0.000 0.278 209 T C 1.732 176.473 174.700 0.068 0.000 0.981 209 T CA -0.198 61.940 62.100 0.064 0.000 0.973 209 T CB 1.306 70.195 68.868 0.036 0.000 1.092 209 T HN 0.511 nan 8.240 nan 0.000 0.543 210 S N 0.174 115.902 115.700 0.046 0.000 2.399 210 S HA -0.189 4.271 4.470 -0.017 0.000 0.231 210 S C 1.723 176.345 174.600 0.037 0.000 1.022 210 S CA 1.355 59.578 58.200 0.037 0.000 0.983 210 S CB -0.827 62.389 63.200 0.026 0.000 0.803 210 S HN 0.917 nan 8.310 nan 0.000 0.480 211 Q N 0.141 119.963 119.800 0.036 0.000 2.247 211 Q HA 0.561 4.890 4.340 -0.017 0.000 0.204 211 Q C 0.688 176.712 176.000 0.041 0.000 0.872 211 Q CA -0.007 55.816 55.803 0.034 0.000 0.951 211 Q CB 0.302 29.055 28.738 0.026 0.000 1.099 211 Q HN 0.591 nan 8.270 nan 0.000 0.501 212 G N 0.120 108.954 108.800 0.057 0.000 2.368 212 G HA2 0.343 4.292 3.960 -0.017 0.000 0.302 212 G HA3 0.343 4.292 3.960 -0.017 0.000 0.302 212 G C -1.604 173.334 174.900 0.064 0.000 1.329 212 G CA -0.620 44.520 45.100 0.067 0.000 0.935 212 G HN 0.389 nan 8.290 nan 0.000 0.590 213 A N -0.018 122.830 122.820 0.046 0.000 2.340 213 A HA 0.768 5.078 4.320 -0.017 0.000 0.268 213 A C 0.261 177.804 177.584 -0.068 0.000 1.100 213 A CA 0.081 52.074 52.037 -0.075 0.000 0.803 213 A CB 0.856 19.803 19.000 -0.088 0.000 1.043 213 A HN 0.672 nan 8.150 nan 0.000 0.488 214 K N 1.067 121.410 120.400 -0.094 0.000 2.482 214 K HA 0.203 4.513 4.320 -0.017 0.000 0.251 214 K C -1.953 174.680 176.600 0.056 0.000 0.936 214 K CA -0.453 55.825 56.287 -0.015 0.000 0.791 214 K CB 1.653 34.145 32.500 -0.014 0.000 1.213 214 K HN 0.761 nan 8.250 nan 0.000 0.428 215 W N 5.969 127.184 121.300 -0.140 0.000 2.342 215 W HA 0.314 4.964 4.660 -0.017 0.000 0.310 215 W C -0.612 175.839 176.519 -0.113 0.000 1.128 215 W CA -0.741 56.525 57.345 -0.132 0.000 1.322 215 W CB 0.004 29.370 29.460 -0.157 0.000 1.251 215 W HN 0.268 nan 8.180 nan 0.000 0.439 216 V N 2.680 122.668 119.914 0.123 0.000 3.158 216 V HA 0.601 4.711 4.120 -0.017 0.000 0.315 216 V C -0.016 176.070 176.094 -0.013 0.000 1.148 216 V CA -0.910 61.377 62.300 -0.021 0.000 1.042 216 V CB 1.833 33.665 31.823 0.015 0.000 1.101 216 V HN 0.438 nan 8.190 nan 0.000 0.448 217 D N 0.368 120.756 120.400 -0.019 0.000 2.751 217 D HA -0.140 4.489 4.640 -0.017 0.000 0.233 217 D C 0.534 176.848 176.300 0.023 0.000 1.149 217 D CA 1.533 55.542 54.000 0.016 0.000 0.682 217 D CB -1.545 39.286 40.800 0.051 0.000 1.068 217 D HN 1.287 nan 8.370 nan 0.000 0.429 218 T N -2.884 111.634 114.554 -0.060 0.000 2.918 218 T HA 0.511 4.851 4.350 -0.017 0.000 0.283 218 T C 0.409 175.153 174.700 0.073 0.000 1.001 218 T CA -0.820 61.251 62.100 -0.049 0.000 1.041 218 T CB 2.124 70.755 68.868 -0.394 0.000 1.028 218 T HN 0.021 nan 8.240 nan 0.000 0.511 219 Q N 0.789 120.699 119.800 0.183 0.000 2.243 219 Q HA 0.569 4.899 4.340 -0.017 0.000 0.252 219 Q C -0.879 175.208 176.000 0.146 0.000 0.909 219 Q CA -0.878 55.044 55.803 0.197 0.000 0.922 219 Q CB 1.841 30.778 28.738 0.332 0.000 1.215 219 Q HN 0.517 nan 8.270 nan 0.000 0.427 220 V N 2.865 122.812 119.914 0.055 0.000 2.483 220 V HA 0.462 4.572 4.120 -0.017 0.000 0.295 220 V C -0.323 175.807 176.094 0.060 0.000 1.035 220 V CA -0.667 61.596 62.300 -0.061 0.000 0.896 220 V CB 1.798 33.523 31.823 -0.164 0.000 0.986 220 V HN 0.488 nan 8.190 nan 0.000 0.447 221 V N 5.602 125.578 119.914 0.103 0.000 2.656 221 V HA 0.484 4.594 4.120 -0.017 0.000 0.307 221 V C -0.267 175.924 176.094 0.161 0.000 1.051 221 V CA -0.597 61.818 62.300 0.192 0.000 0.893 221 V CB 1.986 34.029 31.823 0.366 0.000 0.999 221 V HN 0.640 nan 8.190 nan 0.000 0.426 222 L N 3.491 124.811 121.223 0.162 0.000 2.350 222 L HA 0.762 5.091 4.340 -0.017 0.000 0.275 222 L C 0.431 177.478 176.870 0.294 0.000 1.099 222 L CA -0.379 54.552 54.840 0.151 0.000 0.808 222 L CB 1.452 43.582 42.059 0.119 0.000 1.149 222 L HN 0.762 nan 8.230 nan 0.000 0.442 223 A N 5.010 127.944 122.820 0.190 0.000 2.277 223 A HA 0.568 4.878 4.320 -0.017 0.000 0.318 223 A C -0.506 177.341 177.584 0.439 0.000 1.339 223 A CA -0.468 51.713 52.037 0.241 0.000 0.875 223 A CB 0.904 19.590 19.000 -0.523 0.000 1.158 223 A HN 0.780 nan 8.150 nan 0.000 0.514 224 M N 5.955 125.878 119.600 0.538 0.000 2.129 224 M HA 0.474 4.944 4.480 -0.017 0.000 0.348 224 M C -2.607 173.987 176.300 0.490 0.000 1.116 224 M CA -2.094 53.472 55.300 0.443 0.000 1.022 224 M CB 2.000 34.778 32.600 0.296 0.000 1.599 224 M HN 0.348 nan 8.290 nan 0.000 0.449 225 P HA 0.257 nan 4.420 nan 0.000 0.286 225 P C -1.963 175.310 177.300 -0.044 0.000 1.261 225 P CA -0.007 63.038 63.100 -0.091 0.000 0.821 225 P CB 0.550 31.963 31.700 -0.478 0.000 1.013 226 Y N 0.463 120.715 120.300 -0.081 0.000 2.338 226 Y HA 0.298 4.838 4.550 -0.017 0.000 0.333 226 Y C 0.175 176.077 175.900 0.003 0.000 0.968 226 Y CA -0.508 57.599 58.100 0.012 0.000 1.123 226 Y CB 1.638 40.133 38.460 0.057 0.000 1.165 226 Y HN 0.214 nan 8.280 nan 0.000 0.452 227 D N 2.158 122.683 120.400 0.207 0.000 2.168 227 D HA 0.385 5.014 4.640 -0.017 0.000 0.246 227 D C -0.667 175.866 176.300 0.389 0.000 1.050 227 D CA -0.191 53.976 54.000 0.280 0.000 0.857 227 D CB 1.901 42.910 40.800 0.348 0.000 1.169 227 D HN 0.373 nan 8.370 nan 0.000 0.453 228 T N 3.097 117.776 114.554 0.210 0.000 2.848 228 T HA 0.468 4.808 4.350 -0.017 0.000 0.285 228 T C -2.570 171.919 174.700 -0.350 0.000 0.995 228 T CA -1.424 60.683 62.100 0.012 0.000 0.970 228 T CB 2.190 71.068 68.868 0.017 0.000 0.976 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.381 nan 4.420 nan 0.000 0.278 229 P C -0.889 176.045 177.300 -0.610 0.000 1.238 229 P CA -0.547 61.800 63.100 -1.255 0.000 0.794 229 P CB 1.149 31.836 31.700 -1.689 0.000 0.955 230 V N 1.495 121.117 119.914 -0.487 0.000 2.419 230 V HA 0.507 4.617 4.120 -0.017 0.000 0.287 230 V C -2.817 173.128 176.094 -0.248 0.000 1.017 230 V CA -2.721 59.395 62.300 -0.306 0.000 0.844 230 V CB 1.838 33.531 31.823 -0.217 0.000 1.011 230 V HN 0.377 nan 8.190 nan 0.000 0.429 231 P HA 0.397 nan 4.420 nan 0.000 0.279 231 P C 0.341 177.587 177.300 -0.091 0.000 1.239 231 P CA 0.454 63.463 63.100 -0.152 0.000 0.789 231 P CB 1.690 33.300 31.700 -0.152 0.000 0.933 232 G N 1.821 110.586 108.800 -0.059 0.000 2.528 232 G HA2 0.222 4.171 3.960 -0.017 0.000 0.289 232 G HA3 0.222 4.171 3.960 -0.017 0.000 0.289 232 G C -1.264 173.648 174.900 0.020 0.000 1.192 232 G CA -0.500 44.595 45.100 -0.008 0.000 0.921 232 G HN 0.447 nan 8.290 nan 0.000 0.512 233 Y N 2.106 122.366 120.300 -0.067 0.000 2.637 233 Y HA 0.171 4.711 4.550 -0.017 0.000 0.350 233 Y C 1.463 177.324 175.900 -0.064 0.000 1.069 233 Y CA -0.449 57.608 58.100 -0.072 0.000 1.397 233 Y CB 0.015 38.431 38.460 -0.073 0.000 1.163 233 Y HN 0.635 nan 8.280 nan 0.000 0.527 234 R N 2.699 122.903 120.500 -0.492 0.000 3.591 234 R HA -0.287 4.043 4.340 -0.017 0.000 0.268 234 R C -0.184 175.986 176.300 -0.215 0.000 1.102 234 R CA 1.054 56.902 56.100 -0.421 0.000 0.732 234 R CB -2.503 27.412 30.300 -0.642 0.000 1.117 234 R HN 0.809 nan 8.270 nan 0.000 0.472 235 N N -0.095 118.527 118.700 -0.131 0.000 2.171 235 N HA -0.007 4.723 4.740 -0.017 0.000 0.212 235 N C 0.027 175.490 175.510 -0.079 0.000 1.184 235 N CA -0.237 52.764 53.050 -0.081 0.000 0.888 235 N CB 0.192 38.656 38.487 -0.039 0.000 1.038 235 N HN 0.150 nan 8.380 nan 0.000 0.517 236 N N -0.689 117.960 118.700 -0.085 0.000 2.800 236 N HA -0.129 4.601 4.740 -0.017 0.000 0.250 236 N C -1.185 174.283 175.510 -0.071 0.000 1.078 236 N CA 0.584 53.591 53.050 -0.072 0.000 0.804 236 N CB -1.645 36.800 38.487 -0.069 0.000 1.135 236 N HN 0.220 nan 8.380 nan 0.000 0.565 237 V N 1.159 121.034 119.914 -0.065 0.000 2.383 237 V HA 0.421 4.531 4.120 -0.017 0.000 0.275 237 V C 0.517 176.575 176.094 -0.060 0.000 1.036 237 V CA -0.544 61.722 62.300 -0.058 0.000 0.889 237 V CB 2.005 33.819 31.823 -0.014 0.000 0.985 237 V HN -0.040 nan 8.190 nan 0.000 0.459 238 V N 5.658 125.536 119.914 -0.061 0.000 2.376 238 V HA 0.456 4.566 4.120 -0.017 0.000 0.287 238 V C 0.029 176.079 176.094 -0.073 0.000 1.015 238 V CA -0.804 61.430 62.300 -0.110 0.000 0.834 238 V CB 1.458 33.206 31.823 -0.124 0.000 1.001 238 V HN 0.821 nan 8.190 nan 0.000 0.428 239 N N 2.090 120.718 118.700 -0.120 0.000 2.476 239 N HA 0.563 5.293 4.740 -0.017 0.000 0.287 239 N C -0.059 175.384 175.510 -0.111 0.000 1.262 239 N CA -0.298 52.700 53.050 -0.087 0.000 0.980 239 N CB 1.247 39.657 38.487 -0.128 0.000 1.163 239 N HN 0.608 nan 8.380 nan 0.000 0.592 240 T N 0.706 115.213 114.554 -0.079 0.000 2.841 240 T HA 0.439 4.779 4.350 -0.017 0.000 0.283 240 T C -0.296 174.359 174.700 -0.076 0.000 1.000 240 T CA -0.519 61.614 62.100 0.055 0.000 0.977 240 T CB 1.211 70.270 68.868 0.320 0.000 0.979 240 T HN 0.308 nan 8.240 nan 0.000 0.446 241 M N 3.482 123.012 119.600 -0.117 0.000 2.125 241 M HA 0.511 4.981 4.480 -0.017 0.000 0.321 241 M C -0.651 175.517 176.300 -0.221 0.000 0.983 241 M CA -0.768 54.381 55.300 -0.252 0.000 0.934 241 M CB 0.916 33.317 32.600 -0.331 0.000 1.542 241 M HN 0.497 nan 8.290 nan 0.000 0.424 242 R N 5.943 126.218 120.500 -0.375 0.000 2.246 242 R HA 0.594 4.923 4.340 -0.017 0.000 0.332 242 R C -1.898 174.158 176.300 -0.407 0.000 0.974 242 R CA -0.396 55.447 56.100 -0.429 0.000 0.837 242 R CB 0.798 30.672 30.300 -0.710 0.000 1.145 242 R HN 0.802 nan 8.270 nan 0.000 0.467 243 L N 5.190 126.271 121.223 -0.236 0.000 2.307 243 L HA 0.480 4.810 4.340 -0.017 0.000 0.284 243 L C -0.695 176.158 176.870 -0.028 0.000 1.023 243 L CA -0.906 53.886 54.840 -0.080 0.000 0.810 243 L CB 1.322 43.405 42.059 0.040 0.000 1.231 243 L HN 0.575 nan 8.230 nan 0.000 0.423 244 W N 1.946 123.387 121.300 0.234 0.000 2.316 244 W HA 0.452 5.101 4.660 -0.017 0.000 0.321 244 W C 0.547 177.305 176.519 0.397 0.000 1.203 244 W CA -0.170 57.341 57.345 0.276 0.000 1.214 244 W CB 1.397 30.907 29.460 0.084 0.000 1.169 244 W HN 0.342 nan 8.180 nan 0.000 0.561 245 S N 1.611 117.741 115.700 0.718 0.000 2.500 245 S HA 0.756 5.215 4.470 -0.017 0.000 0.301 245 S C -0.491 174.463 174.600 0.589 0.000 1.092 245 S CA -0.725 57.793 58.200 0.530 0.000 1.030 245 S CB 0.668 64.135 63.200 0.445 0.000 1.031 245 S HN 0.521 nan 8.310 nan 0.000 0.483 246 A N 4.682 127.689 122.820 0.311 0.000 2.366 246 A HA 0.693 5.003 4.320 -0.017 0.000 0.272 246 A C -0.287 177.399 177.584 0.171 0.000 1.135 246 A CA -0.233 51.898 52.037 0.158 0.000 0.804 246 A CB 0.300 19.130 19.000 -0.285 0.000 1.064 246 A HN 0.611 nan 8.150 nan 0.000 0.499 247 K N 0.806 121.324 120.400 0.197 0.000 2.464 247 K HA 0.657 4.967 4.320 -0.017 0.000 0.253 247 K C -0.539 176.127 176.600 0.111 0.000 0.933 247 K CA -0.416 55.958 56.287 0.144 0.000 0.801 247 K CB 2.229 34.824 32.500 0.159 0.000 1.271 247 K HN 0.808 nan 8.250 nan 0.000 0.430 248 A N 3.446 126.311 122.820 0.076 0.000 2.327 248 A HA 0.623 4.933 4.320 -0.017 0.000 0.283 248 A C -2.210 175.405 177.584 0.052 0.000 1.127 248 A CA -1.188 50.884 52.037 0.058 0.000 0.810 248 A CB -0.154 18.868 19.000 0.037 0.000 1.066 248 A HN 0.333 nan 8.150 nan 0.000 0.492 249 P HA 0.221 nan 4.420 nan 0.000 0.274 249 P C -0.169 177.148 177.300 0.029 0.000 1.246 249 P CA -0.346 62.774 63.100 0.034 0.000 0.795 249 P CB 0.410 32.124 31.700 0.024 0.000 1.006 250 N N -0.423 118.294 118.700 0.028 0.000 2.461 250 N HA -0.024 4.706 4.740 -0.017 0.000 0.188 250 N C 0.214 175.741 175.510 0.029 0.000 1.134 250 N CA 0.100 53.167 53.050 0.028 0.000 0.878 250 N CB -0.078 38.427 38.487 0.030 0.000 0.972 250 N HN 0.567 nan 8.380 nan 0.000 0.456 262 Y N 1.036 121.338 120.300 0.003 0.000 2.181 262 Y HA -0.102 4.437 4.550 -0.017 0.000 0.288 262 Y C 2.409 178.312 175.900 0.004 0.000 1.146 262 Y CA 2.004 60.106 58.100 0.004 0.000 1.164 262 Y CB 0.060 38.522 38.460 0.003 0.000 0.982 262 Y HN 0.345 nan 8.280 nan 0.000 0.515 263 I N 0.567 121.088 120.570 -0.081 0.000 2.127 263 I HA -0.303 3.857 4.170 -0.017 0.000 0.241 263 I C 2.388 178.402 176.117 -0.172 0.000 1.075 263 I CA 1.703 62.900 61.300 -0.172 0.000 1.334 263 I CB -1.427 36.573 38.000 -0.000 0.000 1.040 263 I HN 0.342 nan 8.210 nan 0.000 0.405 264 Q N 1.149 120.897 119.800 -0.088 0.000 2.096 264 Q HA -0.144 4.186 4.340 -0.017 0.000 0.204 264 Q C 2.245 178.188 176.000 -0.094 0.000 0.982 264 Q CA 2.381 58.143 55.803 -0.069 0.000 0.850 264 Q CB -0.472 28.246 28.738 -0.033 0.000 0.901 264 Q HN 0.485 nan 8.270 nan 0.000 0.422 265 A N -0.844 121.906 122.820 -0.117 0.000 1.940 265 A HA -0.154 4.155 4.320 -0.017 0.000 0.219 265 A C 2.254 179.749 177.584 -0.148 0.000 1.176 265 A CA 1.769 53.739 52.037 -0.112 0.000 0.631 265 A CB -0.715 18.227 19.000 -0.096 0.000 0.814 265 A HN 0.272 nan 8.150 nan 0.000 0.446 266 V N 0.028 119.791 119.914 -0.252 0.000 2.379 266 V HA -0.191 3.919 4.120 -0.017 0.000 0.245 266 V C 2.505 178.524 176.094 -0.124 0.000 1.044 266 V CA 1.675 63.843 62.300 -0.222 0.000 1.036 266 V CB -0.723 30.896 31.823 -0.341 0.000 0.664 266 V HN 0.569 nan 8.190 nan 0.000 0.453 267 L N -0.124 121.032 121.223 -0.112 0.000 2.131 267 L HA -0.170 4.159 4.340 -0.017 0.000 0.210 267 L C 2.016 178.860 176.870 -0.043 0.000 1.092 267 L CA 1.343 56.145 54.840 -0.063 0.000 0.759 267 L CB -0.748 41.280 42.059 -0.052 0.000 0.903 267 L HN 0.324 nan 8.230 nan 0.000 0.435 268 D N 0.018 120.389 120.400 -0.047 0.000 2.392 268 D HA -0.083 4.547 4.640 -0.017 0.000 0.228 268 D C 2.136 178.424 176.300 -0.021 0.000 1.003 268 D CA 0.478 54.460 54.000 -0.030 0.000 0.917 268 D CB -0.017 40.765 40.800 -0.030 0.000 0.890 268 D HN 0.249 nan 8.370 nan 0.000 0.532 269 R N 0.332 120.818 120.500 -0.024 0.000 2.152 269 R HA -0.048 4.281 4.340 -0.017 0.000 0.232 269 R C 1.584 177.886 176.300 0.003 0.000 1.117 269 R CA 0.611 56.706 56.100 -0.009 0.000 0.981 269 R CB -0.047 30.246 30.300 -0.010 0.000 0.870 269 R HN 0.150 nan 8.270 nan 0.000 0.451 270 N N 1.086 119.787 118.700 0.001 0.000 2.205 270 N HA -0.170 4.560 4.740 -0.017 0.000 0.186 270 N C 1.790 177.305 175.510 0.008 0.000 1.015 270 N CA 1.000 54.057 53.050 0.010 0.000 0.862 270 N CB -0.246 38.247 38.487 0.011 0.000 0.986 270 N HN 0.233 nan 8.380 nan 0.000 0.429 271 L N 0.600 121.823 121.223 0.000 0.000 2.043 271 L HA -0.206 4.123 4.340 -0.017 0.000 0.212 271 L C 2.265 179.127 176.870 -0.012 0.000 1.075 271 L CA 1.446 56.284 54.840 -0.004 0.000 0.752 271 L CB -0.447 41.609 42.059 -0.006 0.000 0.891 271 L HN 0.179 nan 8.230 nan 0.000 0.432 272 A N -0.543 122.274 122.820 -0.005 0.000 1.968 272 A HA -0.149 4.161 4.320 -0.017 0.000 0.217 272 A C 1.968 179.535 177.584 -0.029 0.000 1.169 272 A CA 1.057 53.087 52.037 -0.011 0.000 0.638 272 A CB -0.279 18.736 19.000 0.024 0.000 0.812 272 A HN 0.483 nan 8.150 nan 0.000 0.446 273 E N 0.125 120.323 120.200 -0.004 0.000 2.482 273 E HA -0.059 4.281 4.350 -0.017 0.000 0.196 273 E C 0.815 177.415 176.600 -0.001 0.000 1.047 273 E CA 0.078 56.479 56.400 0.003 0.000 0.869 273 E CB -0.125 29.596 29.700 0.036 0.000 0.836 273 E HN 0.440 nan 8.360 nan 0.000 0.520 274 N N 1.027 119.723 118.700 -0.006 0.000 2.459 274 N HA -0.041 4.689 4.740 -0.017 0.000 0.181 274 N C 1.608 177.121 175.510 0.004 0.000 1.046 274 N CA 0.478 53.538 53.050 0.017 0.000 0.904 274 N CB 0.016 38.511 38.487 0.013 0.000 0.964 274 N HN 0.249 nan 8.380 nan 0.000 0.444 275 I N 0.307 120.825 120.570 -0.086 0.000 2.194 275 I HA -0.253 3.907 4.170 -0.017 0.000 0.246 275 I C 1.273 177.356 176.117 -0.056 0.000 1.093 275 I CA 1.272 62.484 61.300 -0.147 0.000 1.355 275 I CB -0.178 37.569 38.000 -0.422 0.000 1.046 275 I HN 0.134 nan 8.210 nan 0.000 0.413 276 S N -0.578 115.090 115.700 -0.053 0.000 2.561 276 S HA 0.210 4.670 4.470 -0.017 0.000 0.245 276 S C 1.404 176.144 174.600 0.233 0.000 1.001 276 S CA -0.595 57.665 58.200 0.100 0.000 1.002 276 S CB 0.229 63.465 63.200 0.060 0.000 0.805 276 S HN 0.247 nan 8.310 nan 0.000 0.458 277 R N 0.591 121.225 120.500 0.224 0.000 2.073 277 R HA 0.276 4.606 4.340 -0.017 0.000 0.229 277 R C 0.394 176.934 176.300 0.399 0.000 1.120 277 R CA 1.067 57.336 56.100 0.283 0.000 0.967 277 R CB 0.091 30.522 30.300 0.219 0.000 0.862 277 R HN 0.408 nan 8.270 nan 0.000 0.436 278 V N 0.304 120.404 119.914 0.310 0.000 3.012 278 V HA 0.334 4.444 4.120 -0.017 0.000 0.307 278 V C -1.650 174.369 176.094 -0.125 0.000 1.166 278 V CA -1.286 61.116 62.300 0.170 0.000 0.974 278 V CB 1.863 33.715 31.823 0.048 0.000 1.040 278 V HN 0.107 nan 8.190 nan 0.000 0.428 279 L N 6.290 127.232 121.223 -0.468 0.000 2.331 279 L HA 0.515 4.845 4.340 -0.017 0.000 0.278 279 L C -0.893 175.791 176.870 -0.310 0.000 1.106 279 L CA 0.364 54.705 54.840 -0.832 0.000 0.824 279 L CB 0.661 42.182 42.059 -0.895 0.000 1.142 279 L HN 0.693 nan 8.230 nan 0.000 0.443 280 Y N 6.734 126.928 120.300 -0.175 0.000 2.544 280 Y HA 0.203 4.742 4.550 -0.017 0.000 0.330 280 Y C -1.370 174.523 175.900 -0.012 0.000 1.136 280 Y CA -1.212 56.868 58.100 -0.033 0.000 1.417 280 Y CB 0.427 38.895 38.460 0.014 0.000 1.229 280 Y HN 0.576 nan 8.280 nan 0.000 0.532 281 P HA 0.004 nan 4.420 nan 0.000 0.253 281 P C -1.139 176.291 177.300 0.217 0.000 1.508 281 P CA 0.159 63.369 63.100 0.183 0.000 0.883 281 P CB -0.217 31.678 31.700 0.324 0.000 1.519 282 N N 0.870 119.710 118.700 0.233 0.000 2.455 282 N HA 0.197 4.926 4.740 -0.017 0.000 0.280 282 N C -0.456 175.210 175.510 0.261 0.000 1.055 282 N CA -0.461 52.748 53.050 0.265 0.000 0.961 282 N CB 1.122 39.814 38.487 0.343 0.000 1.121 282 N HN 0.000 nan 8.380 nan 0.000 0.476 283 D N 2.212 122.795 120.400 0.305 0.000 2.425 283 D HA 0.114 4.744 4.640 -0.017 0.000 0.240 283 D C -0.530 176.081 176.300 0.517 0.000 1.080 283 D CA -0.291 53.919 54.000 0.350 0.000 0.836 283 D CB 0.420 41.420 40.800 0.333 0.000 1.125 283 D HN 0.508 nan 8.370 nan 0.000 0.525 284 N N 2.951 121.877 118.700 0.377 0.000 2.738 284 N HA -0.254 4.476 4.740 -0.017 0.000 0.249 284 N C -1.178 174.583 175.510 0.418 0.000 1.047 284 N CA 0.761 53.998 53.050 0.313 0.000 0.707 284 N CB -1.117 37.471 38.487 0.168 0.000 0.937 284 N HN 0.476 nan 8.380 nan 0.000 0.545 285 F N 0.560 120.633 119.950 0.205 0.000 2.639 285 F HA 0.416 4.933 4.527 -0.017 0.000 0.320 285 F C -1.454 174.441 175.800 0.157 0.000 1.128 285 F CA -1.099 56.992 58.000 0.151 0.000 1.037 285 F CB 0.848 39.902 39.000 0.091 0.000 1.288 285 F HN -0.068 nan 8.300 nan 0.000 0.463 286 F N 5.796 125.298 119.950 -0.747 0.000 2.405 286 F HA 0.517 5.034 4.527 -0.017 0.000 0.355 286 F C -0.577 174.774 175.800 -0.749 0.000 1.121 286 F CA -0.351 57.290 58.000 -0.599 0.000 1.112 286 F CB 1.056 39.760 39.000 -0.492 0.000 1.126 286 F HN 0.572 nan 8.300 nan 0.000 0.481 287 E N 3.705 123.281 120.200 -1.040 0.000 2.141 287 E HA 0.388 4.728 4.350 -0.017 0.000 0.259 287 E C 0.006 175.866 176.600 -1.233 0.000 0.883 287 E CA -0.605 55.292 56.400 -0.838 0.000 0.744 287 E CB 1.045 30.612 29.700 -0.221 0.000 1.150 287 E HN 0.901 nan 8.360 nan 0.000 0.420 288 G N 5.334 113.317 108.800 -1.363 0.000 3.102 288 G HA2 0.029 3.979 3.960 -0.017 0.000 0.264 288 G HA3 0.029 3.979 3.960 -0.017 0.000 0.264 288 G C -0.087 174.721 174.900 -0.152 0.000 0.788 288 G CA -0.203 44.313 45.100 -0.974 0.000 2.029 288 G HN 0.219 nan 8.290 nan 0.000 0.608 289 K N 0.558 120.931 120.400 -0.045 0.000 2.130 289 K HA 0.185 4.495 4.320 -0.017 0.000 0.268 289 K C 0.871 177.590 176.600 0.198 0.000 0.983 289 K CA -0.638 55.705 56.287 0.093 0.000 0.893 289 K CB 2.350 34.891 32.500 0.069 0.000 1.066 289 K HN 0.423 nan 8.250 nan 0.000 0.450 290 E N 1.605 121.894 120.200 0.148 0.000 2.058 290 E HA -0.226 4.113 4.350 -0.017 0.000 0.194 290 E C 1.613 178.235 176.600 0.037 0.000 0.997 290 E CA 1.187 57.631 56.400 0.074 0.000 0.801 290 E CB 0.140 29.885 29.700 0.075 0.000 0.746 290 E HN 0.407 nan 8.360 nan 0.000 0.450 291 L N 1.375 122.658 121.223 0.100 0.000 2.079 291 L HA -0.202 4.128 4.340 -0.017 0.000 0.210 291 L C 2.465 179.422 176.870 0.145 0.000 1.081 291 L CA 1.906 56.822 54.840 0.127 0.000 0.752 291 L CB -0.561 41.641 42.059 0.238 0.000 0.896 291 L HN 0.021 nan 8.230 nan 0.000 0.433 292 R N -0.615 119.927 120.500 0.071 0.000 2.081 292 R HA -0.166 4.164 4.340 -0.017 0.000 0.235 292 R C 2.118 178.461 176.300 0.072 0.000 1.131 292 R CA 1.919 58.000 56.100 -0.032 0.000 0.960 292 R CB -1.052 29.037 30.300 -0.353 0.000 0.856 292 R HN 0.408 nan 8.270 nan 0.000 0.436 293 L N 0.877 122.061 121.223 -0.066 0.000 2.083 293 L HA -0.064 4.266 4.340 -0.017 0.000 0.209 293 L C 1.767 178.579 176.870 -0.097 0.000 1.083 293 L CA 1.893 56.493 54.840 -0.399 0.000 0.752 293 L CB -0.417 41.105 42.059 -0.895 0.000 0.899 293 L HN 0.169 nan 8.230 nan 0.000 0.433 294 K N -1.023 119.367 120.400 -0.016 0.000 2.057 294 K HA -0.198 4.112 4.320 -0.017 0.000 0.207 294 K C 2.101 178.866 176.600 0.275 0.000 1.049 294 K CA 1.773 58.126 56.287 0.109 0.000 0.931 294 K CB -0.169 32.220 32.500 -0.184 0.000 0.714 294 K HN 0.500 nan 8.250 nan 0.000 0.440 295 Q N 0.564 120.487 119.800 0.205 0.000 2.096 295 Q HA -0.204 4.126 4.340 -0.017 0.000 0.204 295 Q C 1.966 178.162 176.000 0.325 0.000 0.982 295 Q CA 1.523 57.500 55.803 0.291 0.000 0.850 295 Q CB -0.031 28.898 28.738 0.318 0.000 0.901 295 Q HN 0.388 nan 8.270 nan 0.000 0.422 296 E N -0.195 120.149 120.200 0.240 0.000 2.051 296 E HA -0.212 4.128 4.350 -0.017 0.000 0.192 296 E C 1.725 178.432 176.600 0.178 0.000 0.991 296 E CA 1.095 57.619 56.400 0.206 0.000 0.799 296 E CB -0.163 29.636 29.700 0.165 0.000 0.748 296 E HN 0.397 nan 8.360 nan 0.000 0.449 297 Y N 0.150 120.488 120.300 0.062 0.000 2.263 297 Y HA -0.236 4.303 4.550 -0.017 0.000 0.292 297 Y C 2.074 177.991 175.900 0.028 0.000 1.130 297 Y CA 1.001 59.088 58.100 -0.021 0.000 1.179 297 Y CB -0.070 38.339 38.460 -0.084 0.000 0.998 297 Y HN 0.014 nan 8.280 nan 0.000 0.532 298 F N -0.092 119.828 119.950 -0.050 0.000 2.043 298 F HA -0.294 4.222 4.527 -0.017 0.000 0.297 298 F C 2.448 178.083 175.800 -0.275 0.000 1.121 298 F CA 2.003 59.929 58.000 -0.123 0.000 1.199 298 F CB -1.157 37.929 39.000 0.142 0.000 0.968 298 F HN -0.030 nan 8.300 nan 0.000 0.478 299 V N -0.381 119.486 119.914 -0.077 0.000 2.343 299 V HA -0.230 3.880 4.120 -0.017 0.000 0.247 299 V C 2.224 178.150 176.094 -0.281 0.000 1.051 299 V CA 2.012 64.230 62.300 -0.137 0.000 1.036 299 V CB -0.452 31.496 31.823 0.209 0.000 0.654 299 V HN 0.293 nan 8.190 nan 0.000 0.451 300 V N 0.268 120.031 119.914 -0.251 0.000 2.270 300 V HA -0.179 3.931 4.120 -0.017 0.000 0.245 300 V C 2.797 178.620 176.094 -0.452 0.000 1.043 300 V CA 2.159 64.297 62.300 -0.270 0.000 1.014 300 V CB -1.041 30.688 31.823 -0.158 0.000 0.645 300 V HN 0.653 nan 8.190 nan 0.000 0.447 301 A N -0.200 122.178 122.820 -0.738 0.000 1.877 301 A HA -0.142 4.168 4.320 -0.017 0.000 0.216 301 A C 2.390 179.591 177.584 -0.638 0.000 1.186 301 A CA 2.253 53.853 52.037 -0.729 0.000 0.620 301 A CB -0.831 17.520 19.000 -1.083 0.000 0.822 301 A HN 0.582 nan 8.150 nan 0.000 0.443 302 A N -1.196 121.079 122.820 -0.908 0.000 1.898 302 A HA -0.048 4.262 4.320 -0.017 0.000 0.216 302 A C 2.315 179.399 177.584 -0.832 0.000 1.181 302 A CA 2.232 53.562 52.037 -1.180 0.000 0.620 302 A CB -1.274 16.367 19.000 -2.264 0.000 0.819 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.480 114.660 114.554 -0.623 0.000 2.684 303 T HA -0.122 4.218 4.350 -0.017 0.000 0.267 303 T C 1.823 176.251 174.700 -0.453 0.000 1.036 303 T CA 1.528 63.386 62.100 -0.404 0.000 1.148 303 T CB -0.405 68.226 68.868 -0.395 0.000 0.863 303 T HN 0.334 nan 8.240 nan 0.000 0.436 304 L N 0.602 121.606 121.223 -0.365 0.000 2.131 304 L HA -0.155 4.175 4.340 -0.017 0.000 0.210 304 L C 2.917 179.667 176.870 -0.199 0.000 1.092 304 L CA 1.341 56.022 54.840 -0.266 0.000 0.759 304 L CB -0.430 41.512 42.059 -0.195 0.000 0.903 304 L HN 0.354 nan 8.230 nan 0.000 0.435 305 Q N -0.621 119.056 119.800 -0.205 0.000 2.084 305 Q HA -0.243 4.086 4.340 -0.017 0.000 0.202 305 Q C 1.765 177.723 176.000 -0.071 0.000 0.978 305 Q CA 1.687 57.417 55.803 -0.121 0.000 0.844 305 Q CB -0.019 28.634 28.738 -0.142 0.000 0.898 305 Q HN 0.396 nan 8.270 nan 0.000 0.426 306 D N 0.368 120.720 120.400 -0.080 0.000 2.117 306 D HA -0.113 4.517 4.640 -0.017 0.000 0.197 306 D C 1.658 177.897 176.300 -0.103 0.000 0.987 306 D CA 0.901 54.897 54.000 -0.007 0.000 0.829 306 D CB -0.020 40.874 40.800 0.157 0.000 0.961 306 D HN 0.178 nan 8.370 nan 0.000 0.460 307 I N 0.474 120.885 120.570 -0.265 0.000 2.179 307 I HA -0.235 3.925 4.170 -0.017 0.000 0.242 307 I C 2.078 178.212 176.117 0.028 0.000 1.088 307 I CA 0.510 61.613 61.300 -0.327 0.000 1.357 307 I CB -0.141 37.535 38.000 -0.540 0.000 1.051 307 I HN 0.074 nan 8.210 nan 0.000 0.409 308 I N 0.530 121.161 120.570 0.102 0.000 2.226 308 I HA -0.271 3.889 4.170 -0.017 0.000 0.245 308 I C 2.636 178.906 176.117 0.256 0.000 1.100 308 I CA 1.445 62.906 61.300 0.269 0.000 1.374 308 I CB -1.402 36.699 38.000 0.168 0.000 1.057 308 I HN 0.353 nan 8.210 nan 0.000 0.413 309 R N 1.372 121.947 120.500 0.125 0.000 2.070 309 R HA -0.191 4.139 4.340 -0.017 0.000 0.233 309 R C 2.472 178.825 176.300 0.089 0.000 1.137 309 R CA 1.632 57.786 56.100 0.089 0.000 0.945 309 R CB -0.284 30.038 30.300 0.038 0.000 0.845 309 R HN 0.219 nan 8.270 nan 0.000 0.430 310 R N -0.540 120.009 120.500 0.081 0.000 2.105 310 R HA -0.182 4.148 4.340 -0.017 0.000 0.239 310 R C 2.212 178.597 176.300 0.141 0.000 1.135 310 R CA 1.841 57.992 56.100 0.085 0.000 0.967 310 R CB -0.405 29.937 30.300 0.070 0.000 0.861 310 R HN 0.277 nan 8.270 nan 0.000 0.442 311 F N 1.242 121.226 119.950 0.058 0.000 2.146 311 F HA -0.084 4.433 4.527 -0.017 0.000 0.298 311 F C 1.592 177.404 175.800 0.019 0.000 1.096 311 F CA 1.478 59.515 58.000 0.062 0.000 1.275 311 F CB 0.053 39.165 39.000 0.187 0.000 1.008 311 F HN -0.145 nan 8.300 nan 0.000 0.480 312 K N -0.322 120.053 120.400 -0.040 0.000 2.365 312 K HA 0.025 4.335 4.320 -0.017 0.000 0.199 312 K C 1.114 177.625 176.600 -0.150 0.000 1.045 312 K CA 0.951 57.127 56.287 -0.184 0.000 0.962 312 K CB -0.109 32.389 32.500 -0.004 0.000 0.759 312 K HN 0.091 nan 8.250 nan 0.000 0.469 313 S N 0.920 116.578 115.700 -0.069 0.000 2.582 313 S HA 0.188 4.648 4.470 -0.017 0.000 0.249 313 S C -0.671 173.926 174.600 -0.004 0.000 1.072 313 S CA -0.302 57.887 58.200 -0.017 0.000 1.115 313 S CB 0.105 63.321 63.200 0.028 0.000 0.790 313 S HN 0.193 nan 8.310 nan 0.000 0.459 326 F N 2.240 122.297 119.950 0.179 0.000 2.811 326 F HA 0.278 4.795 4.527 -0.017 0.000 0.301 326 F C 1.480 177.345 175.800 0.108 0.000 1.151 326 F CA 0.278 58.351 58.000 0.122 0.000 1.412 326 F CB 0.198 39.143 39.000 -0.091 0.000 1.113 326 F HN 0.206 nan 8.300 nan 0.000 0.579 327 D N 0.290 120.829 120.400 0.231 0.000 2.219 327 D HA -0.096 4.533 4.640 -0.017 0.000 0.205 327 D C 2.070 178.465 176.300 0.158 0.000 0.970 327 D CA 1.063 55.159 54.000 0.161 0.000 0.851 327 D CB 0.121 40.990 40.800 0.115 0.000 0.943 327 D HN 0.302 nan 8.370 nan 0.000 0.488 328 A N -0.361 122.583 122.820 0.206 0.000 2.308 328 A HA 0.067 4.377 4.320 -0.017 0.000 0.217 328 A C 1.509 179.228 177.584 0.224 0.000 1.216 328 A CA -0.389 51.767 52.037 0.197 0.000 0.864 328 A CB -0.394 18.724 19.000 0.196 0.000 0.902 328 A HN 0.052 nan 8.150 nan 0.000 0.499 329 F N 2.183 122.114 119.950 -0.033 0.000 2.065 329 F HA -0.111 4.406 4.527 -0.017 0.000 0.298 329 F C -0.844 174.872 175.800 -0.139 0.000 1.112 329 F CA 2.233 60.026 58.000 -0.345 0.000 1.212 329 F CB -0.923 37.872 39.000 -0.342 0.000 0.975 329 F HN 0.186 nan 8.300 nan 0.000 0.476 330 P HA -0.105 nan 4.420 nan 0.000 0.225 330 P C 0.764 178.020 177.300 -0.073 0.000 1.148 330 P CA 1.562 64.622 63.100 -0.067 0.000 0.779 330 P CB -0.086 31.603 31.700 -0.019 0.000 0.780 331 D N -0.949 119.434 120.400 -0.029 0.000 2.333 331 D HA 0.002 4.631 4.640 -0.017 0.000 0.208 331 D C 1.391 177.681 176.300 -0.017 0.000 0.984 331 D CA 0.811 54.806 54.000 -0.008 0.000 0.873 331 D CB 0.156 40.972 40.800 0.028 0.000 0.935 331 D HN 0.238 nan 8.370 nan 0.000 0.521 332 K N 0.030 120.402 120.400 -0.047 0.000 2.402 332 K HA 0.217 4.527 4.320 -0.017 0.000 0.203 332 K C -0.027 176.497 176.600 -0.127 0.000 1.077 332 K CA 0.075 56.343 56.287 -0.031 0.000 1.051 332 K CB 2.642 35.216 32.500 0.124 0.000 0.907 332 K HN -0.090 nan 8.250 nan 0.000 0.554 333 V N 1.084 120.834 119.914 -0.273 0.000 2.760 333 V HA 0.633 4.743 4.120 -0.017 0.000 0.309 333 V C -1.195 174.793 176.094 -0.176 0.000 1.077 333 V CA -1.159 60.965 62.300 -0.294 0.000 0.910 333 V CB 1.895 33.244 31.823 -0.790 0.000 1.008 333 V HN 0.160 nan 8.190 nan 0.000 0.424 334 A N 5.310 128.087 122.820 -0.072 0.000 2.359 334 A HA 0.923 5.233 4.320 -0.017 0.000 0.303 334 A C -1.135 176.474 177.584 0.042 0.000 1.066 334 A CA -0.412 51.622 52.037 -0.005 0.000 0.730 334 A CB 1.118 20.076 19.000 -0.071 0.000 1.211 334 A HN 0.761 nan 8.150 nan 0.000 0.439 335 I N 1.878 122.523 120.570 0.126 0.000 2.382 335 I HA 0.315 4.475 4.170 -0.017 0.000 0.286 335 I C -0.280 175.948 176.117 0.184 0.000 1.002 335 I CA -0.516 60.877 61.300 0.154 0.000 1.135 335 I CB 1.975 40.045 38.000 0.116 0.000 1.288 335 I HN 0.722 nan 8.210 nan 0.000 0.448 336 Q N 6.838 126.755 119.800 0.196 0.000 2.314 336 Q HA 0.520 4.850 4.340 -0.017 0.000 0.259 336 Q C -1.390 174.652 176.000 0.069 0.000 0.951 336 Q CA -0.246 55.708 55.803 0.252 0.000 0.909 336 Q CB 1.310 30.332 28.738 0.474 0.000 1.236 336 Q HN 0.575 nan 8.270 nan 0.000 0.444 337 L N 3.900 125.191 121.223 0.113 0.000 2.255 337 L HA 0.401 4.730 4.340 -0.017 0.000 0.289 337 L C -0.002 176.924 176.870 0.094 0.000 1.046 337 L CA -0.760 54.130 54.840 0.084 0.000 0.816 337 L CB 0.738 42.880 42.059 0.139 0.000 1.197 337 L HN 0.579 nan 8.230 nan 0.000 0.427 338 N N 4.422 123.091 118.700 -0.052 0.000 2.508 338 N HA 0.059 4.789 4.740 -0.017 0.000 0.253 338 N C -0.214 175.357 175.510 0.102 0.000 1.145 338 N CA 0.565 53.634 53.050 0.030 0.000 0.973 338 N CB -0.146 38.239 38.487 -0.170 0.000 1.305 338 N HN 0.618 nan 8.380 nan 0.000 0.506 339 D N -0.284 120.282 120.400 0.276 0.000 4.808 339 D HA -0.216 4.414 4.640 -0.017 0.000 0.304 339 D C 0.354 176.750 176.300 0.160 0.000 2.360 339 D CA 1.385 55.522 54.000 0.228 0.000 1.222 339 D CB -0.507 40.140 40.800 -0.254 0.000 1.085 339 D HN 0.478 nan 8.370 nan 0.000 1.266 340 T N -2.213 112.347 114.554 0.009 0.000 3.148 340 T HA 0.072 4.411 4.350 -0.017 0.000 0.253 340 T C 1.663 176.414 174.700 0.086 0.000 1.134 340 T CA 1.599 63.676 62.100 -0.039 0.000 1.051 340 T CB -0.519 68.301 68.868 -0.080 0.000 0.959 340 T HN 0.510 nan 8.240 nan 0.000 0.525 341 H N 2.649 121.807 119.070 0.146 0.000 2.353 341 H HA -0.020 4.526 4.556 -0.017 0.000 0.298 341 H C -0.771 174.644 175.328 0.145 0.000 1.103 341 H CA 1.188 57.339 56.048 0.171 0.000 1.293 341 H CB -0.864 29.001 29.762 0.171 0.000 1.372 341 H HN 0.445 nan 8.280 nan 0.000 0.501 342 P HA 0.071 nan 4.420 nan 0.000 0.263 342 P C 0.836 178.178 177.300 0.070 0.000 1.448 342 P CA 0.424 63.605 63.100 0.134 0.000 0.983 342 P CB 0.351 32.122 31.700 0.118 0.000 1.481 343 S N -0.104 115.627 115.700 0.052 0.000 2.440 343 S HA -0.138 4.322 4.470 -0.017 0.000 0.238 343 S C 1.758 176.357 174.600 -0.002 0.000 1.010 343 S CA 0.809 58.999 58.200 -0.016 0.000 0.972 343 S CB -1.529 61.631 63.200 -0.066 0.000 0.774 343 S HN 0.146 nan 8.310 nan 0.000 0.501 344 L N 0.919 122.155 121.223 0.022 0.000 2.456 344 L HA 0.035 4.364 4.340 -0.017 0.000 0.224 344 L C 2.911 179.813 176.870 0.053 0.000 1.148 344 L CA 0.620 55.474 54.840 0.024 0.000 0.825 344 L CB -0.711 41.359 42.059 0.019 0.000 0.937 344 L HN 0.487 nan 8.230 nan 0.000 0.450 345 A N 0.413 123.247 122.820 0.024 0.000 1.978 345 A HA -0.188 4.122 4.320 -0.017 0.000 0.220 345 A C 2.157 179.744 177.584 0.004 0.000 1.170 345 A CA 1.430 53.470 52.037 0.004 0.000 0.636 345 A CB -0.429 18.565 19.000 -0.009 0.000 0.810 345 A HN 0.370 nan 8.150 nan 0.000 0.448 346 I N 0.256 120.829 120.570 0.006 0.000 2.133 346 I HA -0.130 4.030 4.170 -0.017 0.000 0.238 346 I C -0.412 175.726 176.117 0.035 0.000 1.074 346 I CA 1.452 62.755 61.300 0.004 0.000 1.342 346 I CB -0.875 37.130 38.000 0.008 0.000 1.053 346 I HN 0.223 nan 8.210 nan 0.000 0.404 347 P HA -0.167 nan 4.420 nan 0.000 0.223 347 P C 1.245 178.569 177.300 0.040 0.000 1.151 347 P CA 1.442 64.580 63.100 0.063 0.000 0.787 347 P CB 0.033 31.792 31.700 0.099 0.000 0.788 348 E N 0.129 120.414 120.200 0.141 0.000 2.107 348 E HA -0.131 4.208 4.350 -0.017 0.000 0.191 348 E C 1.891 178.477 176.600 -0.022 0.000 0.982 348 E CA 0.572 57.071 56.400 0.164 0.000 0.809 348 E CB -1.156 28.693 29.700 0.248 0.000 0.756 348 E HN -0.023 nan 8.360 nan 0.000 0.459 349 L N 0.039 121.223 121.223 -0.065 0.000 2.046 349 L HA -0.079 4.251 4.340 -0.017 0.000 0.208 349 L C 2.058 178.792 176.870 -0.226 0.000 1.077 349 L CA 1.712 56.459 54.840 -0.154 0.000 0.747 349 L CB -0.554 41.424 42.059 -0.135 0.000 0.896 349 L HN 0.247 nan 8.230 nan 0.000 0.432 350 M N -0.793 118.686 119.600 -0.202 0.000 2.117 350 M HA -0.204 4.266 4.480 -0.017 0.000 0.262 350 M C 2.432 178.552 176.300 -0.301 0.000 1.065 350 M CA 1.539 56.658 55.300 -0.301 0.000 1.114 350 M CB -1.183 31.223 32.600 -0.325 0.000 1.361 350 M HN 0.323 nan 8.290 nan 0.000 0.408 351 R N -0.053 120.300 120.500 -0.245 0.000 2.091 351 R HA -0.134 4.196 4.340 -0.017 0.000 0.238 351 R C 2.033 178.220 176.300 -0.189 0.000 1.136 351 R CA 1.604 57.563 56.100 -0.235 0.000 0.959 351 R CB -0.151 29.964 30.300 -0.310 0.000 0.856 351 R HN 0.206 nan 8.270 nan 0.000 0.437 352 V N 1.256 121.058 119.914 -0.187 0.000 2.307 352 V HA -0.233 3.877 4.120 -0.017 0.000 0.245 352 V C 2.391 178.317 176.094 -0.280 0.000 1.045 352 V CA 1.657 63.841 62.300 -0.193 0.000 1.024 352 V CB -0.365 31.342 31.823 -0.194 0.000 0.651 352 V HN 0.339 nan 8.190 nan 0.000 0.449 353 L N -0.660 120.334 121.223 -0.383 0.000 2.046 353 L HA -0.142 4.187 4.340 -0.017 0.000 0.208 353 L C 2.357 179.034 176.870 -0.323 0.000 1.077 353 L CA 1.164 55.712 54.840 -0.487 0.000 0.747 353 L CB -0.516 41.217 42.059 -0.545 0.000 0.896 353 L HN 0.206 nan 8.230 nan 0.000 0.432 354 V N -0.765 118.999 119.914 -0.249 0.000 2.341 354 V HA -0.166 3.943 4.120 -0.017 0.000 0.240 354 V C 1.963 178.007 176.094 -0.084 0.000 1.035 354 V CA 1.576 63.791 62.300 -0.143 0.000 1.033 354 V CB -0.317 31.439 31.823 -0.112 0.000 0.678 354 V HN 0.336 nan 8.190 nan 0.000 0.464 355 D N 0.133 120.479 120.400 -0.090 0.000 2.123 355 D HA -0.041 4.589 4.640 -0.017 0.000 0.200 355 D C 2.062 178.330 176.300 -0.053 0.000 0.976 355 D CA 1.251 55.218 54.000 -0.056 0.000 0.831 355 D CB -0.001 40.763 40.800 -0.060 0.000 0.974 355 D HN 0.317 nan 8.370 nan 0.000 0.469 356 L N 0.246 121.422 121.223 -0.079 0.000 2.221 356 L HA 0.088 4.418 4.340 -0.017 0.000 0.202 356 L C 1.882 178.716 176.870 -0.060 0.000 1.074 356 L CA 0.594 55.398 54.840 -0.061 0.000 0.795 356 L CB -0.054 41.968 42.059 -0.062 0.000 0.960 356 L HN -0.161 nan 8.230 nan 0.000 0.458 357 E N 0.550 120.680 120.200 -0.116 0.000 2.478 357 E HA 0.037 4.377 4.350 -0.017 0.000 0.194 357 E C 0.121 176.683 176.600 -0.064 0.000 1.045 357 E CA -0.068 56.273 56.400 -0.097 0.000 0.868 357 E CB 0.288 29.824 29.700 -0.274 0.000 0.885 357 E HN 0.241 nan 8.360 nan 0.000 0.505 358 R N 0.565 121.023 120.500 -0.070 0.000 3.525 358 R HA -0.166 4.164 4.340 -0.017 0.000 0.276 358 R C -0.106 176.178 176.300 -0.027 0.000 1.116 358 R CA 0.384 56.464 56.100 -0.032 0.000 0.745 358 R CB -2.391 27.909 30.300 -0.001 0.000 1.185 358 R HN 0.190 nan 8.270 nan 0.000 0.454 359 L N 1.484 122.663 121.223 -0.073 0.000 2.439 359 L HA 0.184 4.514 4.340 -0.017 0.000 0.261 359 L C 1.431 178.295 176.870 -0.011 0.000 1.153 359 L CA -0.257 54.552 54.840 -0.052 0.000 0.808 359 L CB 0.498 42.481 42.059 -0.127 0.000 1.126 359 L HN 0.185 nan 8.230 nan 0.000 0.460 360 D N 0.409 120.829 120.400 0.032 0.000 2.362 360 D HA -0.120 4.510 4.640 -0.017 0.000 0.242 360 D C 0.840 177.212 176.300 0.119 0.000 1.132 360 D CA -0.530 53.523 54.000 0.089 0.000 0.907 360 D CB 1.352 42.209 40.800 0.095 0.000 1.195 360 D HN 0.643 nan 8.370 nan 0.000 0.429 361 W N 2.379 123.682 121.300 0.005 0.000 2.301 361 W HA -0.241 4.409 4.660 -0.017 0.000 0.325 361 W C 1.189 177.753 176.519 0.075 0.000 1.250 361 W CA 1.970 59.325 57.345 0.018 0.000 1.261 361 W CB -0.339 29.111 29.460 -0.016 0.000 1.157 361 W HN 0.513 nan 8.180 nan 0.000 0.473 362 D N 0.221 120.851 120.400 0.384 0.000 2.149 362 D HA -0.214 4.416 4.640 -0.017 0.000 0.198 362 D C 1.862 178.284 176.300 0.203 0.000 0.990 362 D CA 1.982 56.175 54.000 0.322 0.000 0.839 362 D CB -0.348 40.598 40.800 0.244 0.000 0.948 362 D HN 0.133 nan 8.370 nan 0.000 0.460 363 K N 1.389 121.860 120.400 0.118 0.000 2.062 363 K HA -0.000 4.309 4.320 -0.017 0.000 0.205 363 K C 1.879 178.481 176.600 0.003 0.000 1.051 363 K CA 1.357 57.682 56.287 0.065 0.000 0.941 363 K CB -0.437 32.093 32.500 0.051 0.000 0.719 363 K HN -0.012 nan 8.250 nan 0.000 0.440 364 A N 0.684 123.463 122.820 -0.067 0.000 1.902 364 A HA -0.178 4.132 4.320 -0.017 0.000 0.217 364 A C 2.246 179.752 177.584 -0.131 0.000 1.181 364 A CA 1.456 53.384 52.037 -0.183 0.000 0.623 364 A CB -1.254 17.560 19.000 -0.309 0.000 0.818 364 A HN 0.693 nan 8.150 nan 0.000 0.443 365 W N 0.839 121.955 121.300 -0.306 0.000 2.358 365 W HA -0.219 4.431 4.660 -0.017 0.000 0.303 365 W C 2.028 178.506 176.519 -0.069 0.000 1.208 365 W CA 1.983 59.203 57.345 -0.208 0.000 1.274 365 W CB -0.119 29.277 29.460 -0.107 0.000 1.138 365 W HN 0.645 nan 8.180 nan 0.000 0.515 366 E N 0.201 120.406 120.200 0.008 0.000 2.058 366 E HA -0.237 4.103 4.350 -0.017 0.000 0.194 366 E C 1.988 178.516 176.600 -0.120 0.000 0.997 366 E CA 2.225 58.590 56.400 -0.058 0.000 0.801 366 E CB -0.523 29.201 29.700 0.039 0.000 0.746 366 E HN 0.054 nan 8.360 nan 0.000 0.450 367 V N 0.853 120.716 119.914 -0.085 0.000 2.343 367 V HA -0.256 3.853 4.120 -0.017 0.000 0.247 367 V C 2.405 178.448 176.094 -0.085 0.000 1.051 367 V CA 2.167 64.438 62.300 -0.049 0.000 1.036 367 V CB -0.758 31.036 31.823 -0.048 0.000 0.654 367 V HN 0.424 nan 8.190 nan 0.000 0.451 368 T N -0.005 114.426 114.554 -0.206 0.000 2.674 368 T HA -0.168 4.171 4.350 -0.017 0.000 0.265 368 T C 1.959 176.486 174.700 -0.289 0.000 1.039 368 T CA 1.764 63.714 62.100 -0.249 0.000 1.150 368 T CB -0.267 68.386 68.868 -0.359 0.000 0.864 368 T HN 0.277 nan 8.240 nan 0.000 0.427 369 V N 1.330 120.948 119.914 -0.493 0.000 2.343 369 V HA -0.163 3.947 4.120 -0.017 0.000 0.247 369 V C 2.365 178.406 176.094 -0.088 0.000 1.051 369 V CA 1.615 63.687 62.300 -0.381 0.000 1.036 369 V CB -0.482 31.039 31.823 -0.504 0.000 0.654 369 V HN 0.438 nan 8.190 nan 0.000 0.451 370 K N -0.646 119.684 120.400 -0.118 0.000 2.365 370 K HA -0.075 4.235 4.320 -0.017 0.000 0.199 370 K C 2.077 178.617 176.600 -0.100 0.000 1.045 370 K CA 1.417 57.610 56.287 -0.156 0.000 0.962 370 K CB -0.108 32.312 32.500 -0.135 0.000 0.759 370 K HN 0.478 nan 8.250 nan 0.000 0.469 371 T N 0.025 114.594 114.554 0.024 0.000 3.010 371 T HA 0.034 4.374 4.350 -0.017 0.000 0.252 371 T C 0.855 175.661 174.700 0.177 0.000 1.047 371 T CA 0.322 62.472 62.100 0.082 0.000 1.140 371 T CB 0.140 69.080 68.868 0.121 0.000 0.885 371 T HN 0.157 nan 8.240 nan 0.000 0.464 372 C N 2.385 121.778 119.300 0.155 0.000 2.405 372 C HA 0.874 5.324 4.460 -0.017 0.000 0.365 372 C C 0.610 175.674 174.990 0.123 0.000 1.233 372 C CA -1.229 57.868 59.018 0.132 0.000 2.230 372 C CB 0.057 27.811 27.740 0.023 0.000 2.443 372 C HN 0.593 nan 8.230 nan 0.000 0.556 373 A N 1.781 124.658 122.820 0.094 0.000 2.486 373 A HA 0.747 5.057 4.320 -0.017 0.000 0.300 373 A C -1.589 176.069 177.584 0.123 0.000 1.048 373 A CA -0.371 51.658 52.037 -0.014 0.000 0.696 373 A CB 1.119 20.127 19.000 0.012 0.000 1.278 373 A HN 0.926 nan 8.150 nan 0.000 0.405 374 Y N 1.006 121.254 120.300 -0.086 0.000 2.376 374 Y HA 0.693 5.233 4.550 -0.017 0.000 0.340 374 Y C -0.573 175.309 175.900 -0.030 0.000 0.965 374 Y CA -0.584 57.483 58.100 -0.054 0.000 1.078 374 Y CB 2.059 40.446 38.460 -0.122 0.000 1.193 374 Y HN 0.555 nan 8.280 nan 0.000 0.452 375 T N 6.911 121.269 114.554 -0.327 0.000 2.758 375 T HA 0.245 4.585 4.350 -0.017 0.000 0.285 375 T C -0.716 173.517 174.700 -0.779 0.000 0.981 375 T CA -0.795 61.037 62.100 -0.448 0.000 0.965 375 T CB 0.353 69.202 68.868 -0.032 0.000 0.927 375 T HN 0.673 nan 8.240 nan 0.000 0.448 376 N N 1.659 119.890 118.700 -0.780 0.000 2.473 376 N HA 0.147 4.876 4.740 -0.017 0.000 0.291 376 N C 0.030 175.375 175.510 -0.275 0.000 1.083 376 N CA -0.342 52.475 53.050 -0.387 0.000 0.951 376 N CB 0.806 39.230 38.487 -0.105 0.000 1.164 376 N HN 0.678 nan 8.380 nan 0.000 0.480 377 H N 0.809 119.919 119.070 0.068 0.000 3.058 377 H HA 0.171 4.717 4.556 -0.017 0.000 0.266 377 H C -0.189 175.067 175.328 -0.119 0.000 1.135 377 H CA -0.048 55.987 56.048 -0.022 0.000 1.174 377 H CB 1.205 30.963 29.762 -0.007 0.000 1.581 377 H HN 0.507 nan 8.280 nan 0.000 0.553 378 T N -0.371 114.223 114.554 0.066 0.000 2.830 378 T HA 0.266 4.606 4.350 -0.017 0.000 0.322 378 T C -0.070 174.657 174.700 0.045 0.000 1.501 378 T CA -0.365 61.719 62.100 -0.025 0.000 1.036 378 T CB 1.832 70.680 68.868 -0.033 0.000 1.379 378 T HN -0.134 nan 8.240 nan 0.000 0.493 379 V N 2.670 122.565 119.914 -0.031 0.000 3.645 379 V HA 0.425 4.534 4.120 -0.017 0.000 0.275 379 V C 0.761 176.815 176.094 -0.066 0.000 1.356 379 V CA -0.042 62.234 62.300 -0.040 0.000 1.051 379 V CB 0.122 31.931 31.823 -0.023 0.000 0.828 379 V HN 0.691 nan 8.190 nan 0.000 0.441 380 L N 3.282 124.451 121.223 -0.090 0.000 2.534 380 L HA 0.092 4.422 4.340 -0.017 0.000 0.271 380 L C -0.704 176.157 176.870 -0.016 0.000 1.178 380 L CA -0.757 54.051 54.840 -0.053 0.000 0.907 380 L CB 0.389 42.397 42.059 -0.084 0.000 1.164 380 L HN 0.156 nan 8.230 nan 0.000 0.482 381 P HA -0.212 nan 4.420 nan 0.000 0.218 381 P C 0.938 178.234 177.300 -0.007 0.000 1.148 381 P CA 1.224 64.319 63.100 -0.009 0.000 0.822 381 P CB 0.041 31.741 31.700 -0.001 0.000 0.784 382 E N 0.005 120.225 120.200 0.034 0.000 2.511 382 E HA 0.013 4.352 4.350 -0.017 0.000 0.196 382 E C 1.432 178.017 176.600 -0.025 0.000 1.066 382 E CA 0.751 57.165 56.400 0.023 0.000 0.871 382 E CB -0.546 29.249 29.700 0.159 0.000 0.863 382 E HN 0.199 nan 8.360 nan 0.000 0.520 383 A N 1.046 123.875 122.820 0.015 0.000 2.220 383 A HA 0.235 4.545 4.320 -0.017 0.000 0.211 383 A C 1.183 178.758 177.584 -0.014 0.000 1.176 383 A CA -0.317 51.746 52.037 0.043 0.000 0.834 383 A CB 0.139 19.181 19.000 0.070 0.000 0.868 383 A HN 0.140 nan 8.150 nan 0.000 0.488 384 L N 1.830 122.999 121.223 -0.091 0.000 2.367 384 L HA 0.147 4.477 4.340 -0.017 0.000 0.275 384 L C -0.171 176.370 176.870 -0.548 0.000 1.129 384 L CA 0.184 54.907 54.840 -0.195 0.000 0.839 384 L CB 0.506 42.483 42.059 -0.136 0.000 1.133 384 L HN 0.403 nan 8.230 nan 0.000 0.453 385 E N 4.818 124.596 120.200 -0.705 0.000 2.180 385 E HA 0.210 4.550 4.350 -0.017 0.000 0.283 385 E C -0.522 175.430 176.600 -1.080 0.000 1.061 385 E CA -0.204 55.310 56.400 -1.477 0.000 0.861 385 E CB 0.709 29.915 29.700 -0.823 0.000 1.056 385 E HN 0.398 nan 8.360 nan 0.000 0.407 386 R N 4.021 123.751 120.500 -1.283 0.000 2.467 386 R HA 0.200 4.530 4.340 -0.017 0.000 0.299 386 R C -1.195 174.895 176.300 -0.350 0.000 1.120 386 R CA -0.608 55.178 56.100 -0.524 0.000 0.940 386 R CB 0.857 30.982 30.300 -0.291 0.000 1.161 386 R HN 0.437 nan 8.270 nan 0.000 0.506 387 W N 4.321 125.569 121.300 -0.086 0.000 2.316 387 W HA 0.286 4.936 4.660 -0.017 0.000 0.311 387 W C -1.954 174.549 176.519 -0.027 0.000 1.217 387 W CA -2.154 55.204 57.345 0.023 0.000 1.199 387 W CB 0.749 30.201 29.460 -0.012 0.000 1.202 387 W HN 0.265 nan 8.180 nan 0.000 0.528 388 P HA -0.093 nan 4.420 nan 0.000 0.268 388 P C 0.846 178.123 177.300 -0.038 0.000 1.204 388 P CA 0.100 63.223 63.100 0.038 0.000 0.768 388 P CB 0.871 32.517 31.700 -0.091 0.000 0.842 389 V N 2.822 122.759 119.914 0.039 0.000 2.594 389 V HA -0.278 3.832 4.120 -0.017 0.000 0.253 389 V C 1.859 177.967 176.094 0.022 0.000 1.069 389 V CA 2.258 64.579 62.300 0.034 0.000 1.082 389 V CB -1.928 29.966 31.823 0.119 0.000 0.680 389 V HN 0.667 nan 8.190 nan 0.000 0.469 390 H N -0.430 118.697 119.070 0.096 0.000 2.456 390 H HA -0.047 4.499 4.556 -0.017 0.000 0.296 390 H C 1.824 177.200 175.328 0.081 0.000 1.079 390 H CA 1.972 58.071 56.048 0.085 0.000 1.322 390 H CB -0.601 29.212 29.762 0.086 0.000 1.388 390 H HN 0.448 nan 8.280 nan 0.000 0.538 391 L N -0.016 120.971 121.223 -0.395 0.000 2.131 391 L HA 0.077 4.407 4.340 -0.017 0.000 0.206 391 L C 2.173 178.984 176.870 -0.099 0.000 1.087 391 L CA 1.061 55.800 54.840 -0.168 0.000 0.767 391 L CB -0.416 41.530 42.059 -0.189 0.000 0.917 391 L HN 0.393 nan 8.230 nan 0.000 0.441 392 L N -0.600 120.549 121.223 -0.123 0.000 2.072 392 L HA -0.162 4.168 4.340 -0.017 0.000 0.205 392 L C 2.494 179.297 176.870 -0.111 0.000 1.079 392 L CA 1.390 56.137 54.840 -0.155 0.000 0.752 392 L CB -0.485 41.475 42.059 -0.165 0.000 0.906 392 L HN 0.426 nan 8.230 nan 0.000 0.436 393 E N -1.075 119.100 120.200 -0.042 0.000 2.274 393 E HA -0.217 4.123 4.350 -0.017 0.000 0.194 393 E C 1.950 178.578 176.600 0.047 0.000 0.996 393 E CA 1.563 57.959 56.400 -0.006 0.000 0.840 393 E CB -0.251 29.478 29.700 0.048 0.000 0.772 393 E HN 0.360 nan 8.360 nan 0.000 0.491 394 T N -0.323 114.284 114.554 0.089 0.000 2.939 394 T HA -0.014 4.326 4.350 -0.017 0.000 0.254 394 T C 1.758 176.581 174.700 0.206 0.000 1.041 394 T CA 0.511 62.718 62.100 0.178 0.000 1.142 394 T CB -0.058 68.943 68.868 0.222 0.000 0.874 394 T HN 0.172 nan 8.240 nan 0.000 0.452 395 L N 0.200 121.449 121.223 0.042 0.000 2.095 395 L HA 0.498 4.828 4.340 -0.017 0.000 0.204 395 L C 0.472 177.279 176.870 -0.106 0.000 1.080 395 L CA 1.480 56.232 54.840 -0.148 0.000 0.759 395 L CB 0.058 41.988 42.059 -0.215 0.000 0.914 395 L HN 0.314 nan 8.230 nan 0.000 0.439 396 L N 0.586 121.707 121.223 -0.169 0.000 2.551 396 L HA 0.299 4.629 4.340 -0.017 0.000 0.248 396 L C -1.677 175.005 176.870 -0.313 0.000 1.509 396 L CA -1.054 53.602 54.840 -0.306 0.000 0.842 396 L CB 0.874 42.601 42.059 -0.553 0.000 1.087 396 L HN -0.074 nan 8.230 nan 0.000 0.512 397 P HA -0.228 nan 4.420 nan 0.000 0.216 397 P C 1.457 178.541 177.300 -0.360 0.000 1.153 397 P CA 1.247 64.207 63.100 -0.233 0.000 0.858 397 P CB 0.366 32.002 31.700 -0.106 0.000 0.789 398 R N -0.515 119.586 120.500 -0.666 0.000 2.115 398 R HA -0.110 4.220 4.340 -0.017 0.000 0.226 398 R C 2.233 178.204 176.300 -0.548 0.000 1.100 398 R CA 1.504 57.222 56.100 -0.637 0.000 0.980 398 R CB -1.537 28.214 30.300 -0.915 0.000 0.875 398 R HN 0.272 nan 8.270 nan 0.000 0.445 399 H N -0.875 117.876 119.070 -0.531 0.000 2.428 399 H HA -0.011 4.535 4.556 -0.017 0.000 0.296 399 H C 1.488 176.631 175.328 -0.308 0.000 1.062 399 H CA 1.410 57.231 56.048 -0.378 0.000 1.350 399 H CB -0.059 29.450 29.762 -0.423 0.000 1.403 399 H HN 0.095 nan 8.280 nan 0.000 0.533 400 L N 0.774 121.855 121.223 -0.238 0.000 2.083 400 L HA -0.170 4.160 4.340 -0.017 0.000 0.209 400 L C 1.882 178.503 176.870 -0.415 0.000 1.083 400 L CA 1.603 56.221 54.840 -0.371 0.000 0.752 400 L CB -0.419 41.430 42.059 -0.350 0.000 0.899 400 L HN 0.255 nan 8.230 nan 0.000 0.433 401 Q N -0.605 119.067 119.800 -0.214 0.000 2.050 401 Q HA -0.192 4.137 4.340 -0.017 0.000 0.202 401 Q C 2.316 178.313 176.000 -0.006 0.000 0.980 401 Q CA 2.073 57.845 55.803 -0.051 0.000 0.840 401 Q CB -0.224 28.498 28.738 -0.027 0.000 0.898 401 Q HN 0.560 nan 8.270 nan 0.000 0.424 402 I N 0.477 121.030 120.570 -0.028 0.000 2.286 402 I HA -0.287 3.873 4.170 -0.017 0.000 0.248 402 I C 2.166 178.356 176.117 0.122 0.000 1.115 402 I CA 1.064 62.439 61.300 0.125 0.000 1.392 402 I CB -0.169 37.846 38.000 0.024 0.000 1.065 402 I HN 0.205 nan 8.210 nan 0.000 0.418 403 I N -0.383 120.178 120.570 -0.016 0.000 2.226 403 I HA -0.334 3.826 4.170 -0.017 0.000 0.245 403 I C 2.334 178.486 176.117 0.058 0.000 1.100 403 I CA 1.711 63.002 61.300 -0.016 0.000 1.374 403 I CB -0.373 37.554 38.000 -0.122 0.000 1.057 403 I HN 0.200 nan 8.210 nan 0.000 0.413 404 Y N 0.380 120.688 120.300 0.013 0.000 2.181 404 Y HA -0.304 4.235 4.550 -0.017 0.000 0.288 404 Y C 2.697 178.569 175.900 -0.047 0.000 1.146 404 Y CA 0.912 59.007 58.100 -0.008 0.000 1.164 404 Y CB -0.072 38.375 38.460 -0.021 0.000 0.982 404 Y HN 0.145 nan 8.280 nan 0.000 0.515 405 E N 1.040 121.291 120.200 0.084 0.000 2.051 405 E HA -0.192 4.148 4.350 -0.017 0.000 0.192 405 E C 1.861 178.387 176.600 -0.123 0.000 0.991 405 E CA 1.430 57.742 56.400 -0.147 0.000 0.799 405 E CB -0.481 28.988 29.700 -0.385 0.000 0.748 405 E HN 0.450 nan 8.360 nan 0.000 0.449 406 I N 0.673 121.265 120.570 0.035 0.000 2.163 406 I HA -0.309 3.851 4.170 -0.017 0.000 0.243 406 I C 2.307 178.427 176.117 0.005 0.000 1.085 406 I CA 1.446 62.717 61.300 -0.048 0.000 1.347 406 I CB -0.424 37.559 38.000 -0.028 0.000 1.044 406 I HN 0.233 nan 8.210 nan 0.000 0.408 407 N N 0.619 119.374 118.700 0.093 0.000 2.043 407 N HA -0.279 4.450 4.740 -0.017 0.000 0.193 407 N C 1.847 177.445 175.510 0.147 0.000 1.037 407 N CA 1.613 54.769 53.050 0.176 0.000 0.851 407 N CB -0.164 38.445 38.487 0.203 0.000 1.027 407 N HN 0.157 nan 8.380 nan 0.000 0.422 408 Q N 0.753 120.583 119.800 0.051 0.000 2.061 408 Q HA -0.024 4.306 4.340 -0.017 0.000 0.204 408 Q C 1.935 177.921 176.000 -0.024 0.000 0.984 408 Q CA 1.702 57.500 55.803 -0.008 0.000 0.846 408 Q CB -0.211 28.483 28.738 -0.073 0.000 0.902 408 Q HN 0.380 nan 8.270 nan 0.000 0.421 409 R N -1.306 119.157 120.500 -0.061 0.000 2.148 409 R HA -0.058 4.272 4.340 -0.017 0.000 0.227 409 R C 1.984 178.310 176.300 0.044 0.000 1.103 409 R CA 1.063 57.122 56.100 -0.068 0.000 0.983 409 R CB -0.319 29.879 30.300 -0.170 0.000 0.874 409 R HN 0.272 nan 8.270 nan 0.000 0.451 410 F N 0.978 120.904 119.950 -0.040 0.000 2.187 410 F HA -0.006 4.511 4.527 -0.017 0.000 0.295 410 F C 1.699 177.529 175.800 0.050 0.000 1.091 410 F CA 1.121 59.148 58.000 0.045 0.000 1.308 410 F CB -0.112 38.949 39.000 0.101 0.000 1.030 410 F HN -0.132 nan 8.300 nan 0.000 0.487 411 L N 0.148 121.375 121.223 0.006 0.000 2.131 411 L HA -0.238 4.092 4.340 -0.017 0.000 0.210 411 L C 1.948 178.746 176.870 -0.120 0.000 1.092 411 L CA 1.614 56.393 54.840 -0.101 0.000 0.759 411 L CB -0.887 41.180 42.059 0.014 0.000 0.903 411 L HN 0.257 nan 8.230 nan 0.000 0.435 412 N N -0.349 118.304 118.700 -0.078 0.000 2.244 412 N HA -0.150 4.580 4.740 -0.017 0.000 0.183 412 N C 1.875 177.334 175.510 -0.085 0.000 1.016 412 N CA 0.642 53.650 53.050 -0.071 0.000 0.866 412 N CB 0.062 38.514 38.487 -0.057 0.000 0.980 412 N HN 0.301 nan 8.380 nan 0.000 0.430 413 R N 0.377 120.807 120.500 -0.116 0.000 2.090 413 R HA 0.002 4.332 4.340 -0.017 0.000 0.228 413 R C 2.102 178.312 176.300 -0.150 0.000 1.110 413 R CA 0.661 56.694 56.100 -0.113 0.000 0.973 413 R CB -0.177 30.071 30.300 -0.087 0.000 0.869 413 R HN 0.083 nan 8.270 nan 0.000 0.440 414 V N 1.076 120.848 119.914 -0.236 0.000 2.307 414 V HA -0.216 3.893 4.120 -0.017 0.000 0.245 414 V C 2.453 178.546 176.094 -0.001 0.000 1.045 414 V CA 1.970 64.189 62.300 -0.134 0.000 1.024 414 V CB -0.676 30.997 31.823 -0.251 0.000 0.651 414 V HN 0.371 nan 8.190 nan 0.000 0.449 415 A N -0.009 122.783 122.820 -0.047 0.000 1.978 415 A HA -0.132 4.178 4.320 -0.017 0.000 0.220 415 A C 2.373 179.939 177.584 -0.031 0.000 1.170 415 A CA 2.117 54.143 52.037 -0.018 0.000 0.636 415 A CB -0.666 18.313 19.000 -0.035 0.000 0.810 415 A HN 0.581 nan 8.150 nan 0.000 0.448 416 A N -0.563 122.219 122.820 -0.063 0.000 1.968 416 A HA 0.295 4.605 4.320 -0.017 0.000 0.217 416 A C 2.359 179.856 177.584 -0.145 0.000 1.169 416 A CA 1.694 53.681 52.037 -0.084 0.000 0.638 416 A CB -0.668 18.287 19.000 -0.075 0.000 0.812 416 A HN 0.992 nan 8.150 nan 0.000 0.446 417 A N -1.859 120.832 122.820 -0.216 0.000 2.072 417 A HA 0.413 4.722 4.320 -0.017 0.000 0.216 417 A C 0.377 177.471 177.584 -0.816 0.000 1.156 417 A CA 0.408 52.140 52.037 -0.509 0.000 0.701 417 A CB -0.157 18.484 19.000 -0.598 0.000 0.816 417 A HN 0.426 nan 8.150 nan 0.000 0.458 418 F N -0.077 119.828 119.950 -0.074 0.000 2.710 418 F HA 0.325 4.842 4.527 -0.017 0.000 0.345 418 F C -2.810 172.954 175.800 -0.061 0.000 1.362 418 F CA -2.362 55.598 58.000 -0.067 0.000 1.175 418 F CB 1.047 39.999 39.000 -0.080 0.000 1.561 418 F HN -0.085 nan 8.300 nan 0.000 0.593 419 P HA 0.169 nan 4.420 nan 0.000 0.264 419 P C 0.999 178.320 177.300 0.036 0.000 1.193 419 P CA 1.068 64.182 63.100 0.023 0.000 0.763 419 P CB 0.884 32.579 31.700 -0.008 0.000 0.810 420 G N 2.599 111.411 108.800 0.021 0.000 2.205 420 G HA2 -0.249 3.701 3.960 -0.017 0.000 0.261 420 G HA3 -0.249 3.701 3.960 -0.017 0.000 0.261 420 G C 0.395 175.303 174.900 0.013 0.000 0.980 420 G CA 0.037 45.145 45.100 0.013 0.000 0.632 420 G HN 0.591 nan 8.290 nan 0.000 0.533 421 D N 1.484 121.900 120.400 0.027 0.000 2.608 421 D HA 0.353 4.983 4.640 -0.017 0.000 0.224 421 D C 2.181 178.467 176.300 -0.023 0.000 1.123 421 D CA 0.436 54.435 54.000 -0.001 0.000 1.030 421 D CB 0.218 41.013 40.800 -0.008 0.000 1.093 421 D HN 0.597 nan 8.370 nan 0.000 0.497 422 V N -0.198 119.705 119.914 -0.018 0.000 2.594 422 V HA -0.138 3.972 4.120 -0.017 0.000 0.253 422 V C 1.739 177.818 176.094 -0.025 0.000 1.069 422 V CA 1.224 63.513 62.300 -0.019 0.000 1.082 422 V CB -0.137 31.678 31.823 -0.012 0.000 0.680 422 V HN 0.241 nan 8.190 nan 0.000 0.469 423 D N 0.699 121.079 120.400 -0.033 0.000 2.117 423 D HA -0.194 4.436 4.640 -0.017 0.000 0.198 423 D C 2.360 178.627 176.300 -0.055 0.000 0.982 423 D CA 1.679 55.659 54.000 -0.034 0.000 0.828 423 D CB -0.004 40.774 40.800 -0.037 0.000 0.967 423 D HN 0.511 nan 8.370 nan 0.000 0.464 424 R N 0.524 120.965 120.500 -0.098 0.000 2.096 424 R HA -0.100 4.230 4.340 -0.017 0.000 0.235 424 R C 2.596 178.823 176.300 -0.123 0.000 1.127 424 R CA 0.712 56.717 56.100 -0.158 0.000 0.968 424 R CB -0.242 29.894 30.300 -0.272 0.000 0.861 424 R HN 0.185 nan 8.270 nan 0.000 0.440 425 L N 0.188 121.364 121.223 -0.078 0.000 2.083 425 L HA -0.156 4.174 4.340 -0.017 0.000 0.209 425 L C 2.921 179.794 176.870 0.004 0.000 1.083 425 L CA 1.393 56.207 54.840 -0.044 0.000 0.752 425 L CB -0.470 41.573 42.059 -0.028 0.000 0.899 425 L HN 0.264 nan 8.230 nan 0.000 0.433 426 R N 0.315 120.821 120.500 0.009 0.000 2.075 426 R HA -0.112 4.218 4.340 -0.017 0.000 0.232 426 R C 2.459 178.807 176.300 0.080 0.000 1.126 426 R CA 1.149 57.276 56.100 0.044 0.000 0.963 426 R CB -0.011 30.308 30.300 0.030 0.000 0.858 426 R HN 0.297 nan 8.270 nan 0.000 0.435 427 R N -0.298 120.231 120.500 0.049 0.000 2.092 427 R HA -0.039 4.291 4.340 -0.017 0.000 0.231 427 R C 2.123 178.510 176.300 0.145 0.000 1.119 427 R CA 1.549 57.703 56.100 0.089 0.000 0.970 427 R CB -0.086 30.224 30.300 0.017 0.000 0.864 427 R HN 0.296 nan 8.270 nan 0.000 0.440 428 M N 0.112 119.723 119.600 0.018 0.000 2.541 428 M HA 0.044 4.514 4.480 -0.017 0.000 0.252 428 M C 0.859 177.362 176.300 0.339 0.000 1.125 428 M CA 0.000 55.284 55.300 -0.028 0.000 1.091 428 M CB 0.415 32.820 32.600 -0.326 0.000 1.420 428 M HN -0.084 nan 8.290 nan 0.000 0.486 429 S N 0.853 116.737 115.700 0.307 0.000 2.558 429 S HA -0.000 4.460 4.470 -0.017 0.000 0.291 429 S C 0.948 175.812 174.600 0.440 0.000 1.306 429 S CA -0.302 58.099 58.200 0.334 0.000 1.056 429 S CB 0.605 63.934 63.200 0.214 0.000 0.836 429 S HN 0.241 nan 8.310 nan 0.000 0.504 430 L N 5.224 126.657 121.223 0.349 0.000 2.395 430 L HA 0.220 4.550 4.340 -0.017 0.000 0.218 430 L C 0.322 177.303 176.870 0.185 0.000 1.130 430 L CA 0.778 55.776 54.840 0.264 0.000 0.826 430 L CB -0.204 41.964 42.059 0.181 0.000 0.941 430 L HN 0.466 nan 8.230 nan 0.000 0.451 431 V N 0.147 120.183 119.914 0.203 0.000 2.394 431 V HA 0.225 4.335 4.120 -0.017 0.000 0.282 431 V C 0.028 176.207 176.094 0.141 0.000 1.031 431 V CA -0.927 61.479 62.300 0.176 0.000 0.881 431 V CB 1.462 33.415 31.823 0.216 0.000 0.982 431 V HN 0.134 nan 8.190 nan 0.000 0.451 432 E N 3.918 124.182 120.200 0.107 0.000 2.134 432 E HA 0.356 4.695 4.350 -0.017 0.000 0.278 432 E C -0.569 176.080 176.600 0.081 0.000 0.959 432 E CA -0.659 55.792 56.400 0.086 0.000 0.783 432 E CB 1.749 31.480 29.700 0.052 0.000 1.095 432 E HN 0.562 nan 8.360 nan 0.000 0.399 433 E N 0.988 121.232 120.200 0.073 0.000 2.405 433 E HA 0.537 4.877 4.350 -0.017 0.000 0.253 433 E C 0.544 177.178 176.600 0.057 0.000 1.257 433 E CA -0.198 56.239 56.400 0.062 0.000 0.960 433 E CB 0.969 30.699 29.700 0.050 0.000 1.077 433 E HN 0.754 nan 8.360 nan 0.000 0.512 434 G N -1.388 107.443 108.800 0.051 0.000 2.347 434 G HA2 0.176 4.125 3.960 -0.017 0.000 0.341 434 G HA3 0.176 4.125 3.960 -0.017 0.000 0.341 434 G C 0.317 175.247 174.900 0.051 0.000 1.287 434 G CA 0.187 45.316 45.100 0.047 0.000 0.984 434 G HN 0.458 nan 8.290 nan 0.000 0.526 435 A N -1.026 121.822 122.820 0.048 0.000 1.877 435 A HA 0.344 4.654 4.320 -0.017 0.000 0.216 435 A C 1.494 179.119 177.584 0.068 0.000 1.186 435 A CA 2.327 54.393 52.037 0.049 0.000 0.620 435 A CB -0.464 18.561 19.000 0.041 0.000 0.822 435 A HN 1.643 nan 8.150 nan 0.000 0.443 436 V N 1.585 121.546 119.914 0.079 0.000 2.322 436 V HA 0.158 4.268 4.120 -0.017 0.000 0.258 436 V C 0.202 176.364 176.094 0.114 0.000 1.074 436 V CA -0.447 61.922 62.300 0.114 0.000 0.909 436 V CB 0.172 32.066 31.823 0.119 0.000 1.090 436 V HN 0.372 nan 8.190 nan 0.000 0.486 437 K N 4.728 125.204 120.400 0.127 0.000 2.412 437 K HA 0.374 4.684 4.320 -0.017 0.000 0.281 437 K C 0.101 176.775 176.600 0.123 0.000 1.027 437 K CA 0.244 56.604 56.287 0.122 0.000 0.989 437 K CB 0.490 33.074 32.500 0.139 0.000 0.935 437 K HN 0.645 nan 8.250 nan 0.000 0.475 438 R N 2.732 123.293 120.500 0.101 0.000 2.808 438 R HA 0.474 4.804 4.340 -0.017 0.000 0.272 438 R C -0.841 175.503 176.300 0.072 0.000 0.995 438 R CA -1.002 55.148 56.100 0.083 0.000 0.917 438 R CB 1.323 31.652 30.300 0.049 0.000 1.217 438 R HN 0.374 nan 8.270 nan 0.000 0.471 439 I N 1.945 122.555 120.570 0.067 0.000 2.321 439 I HA 0.158 4.318 4.170 -0.017 0.000 0.291 439 I C -0.212 175.892 176.117 -0.021 0.000 0.998 439 I CA -0.691 60.637 61.300 0.046 0.000 1.227 439 I CB 1.267 39.297 38.000 0.051 0.000 1.368 439 I HN 0.534 nan 8.210 nan 0.000 0.466 440 N N 7.265 125.918 118.700 -0.077 0.000 2.415 440 N HA 0.082 4.812 4.740 -0.017 0.000 0.250 440 N C 0.842 176.246 175.510 -0.177 0.000 1.127 440 N CA -0.330 52.590 53.050 -0.217 0.000 0.945 440 N CB 0.934 39.146 38.487 -0.459 0.000 1.196 440 N HN 0.393 nan 8.380 nan 0.000 0.499 441 M N 2.392 121.896 119.600 -0.159 0.000 2.279 441 M HA -0.078 4.391 4.480 -0.017 0.000 0.264 441 M C 1.907 178.066 176.300 -0.234 0.000 1.062 441 M CA 0.768 55.988 55.300 -0.132 0.000 1.099 441 M CB -1.566 30.997 32.600 -0.062 0.000 1.394 441 M HN 0.604 nan 8.290 nan 0.000 0.426 442 A N -0.672 122.009 122.820 -0.232 0.000 1.930 442 A HA -0.161 4.149 4.320 -0.017 0.000 0.217 442 A C 1.990 179.357 177.584 -0.362 0.000 1.175 442 A CA 1.370 53.240 52.037 -0.278 0.000 0.627 442 A CB -1.074 17.969 19.000 0.071 0.000 0.815 442 A HN 0.598 nan 8.150 nan 0.000 0.443 443 H N -1.455 117.390 119.070 -0.375 0.000 2.389 443 H HA -0.091 4.455 4.556 -0.017 0.000 0.299 443 H C 2.091 177.168 175.328 -0.419 0.000 1.081 443 H CA 1.091 56.847 56.048 -0.486 0.000 1.345 443 H CB 0.002 29.705 29.762 -0.099 0.000 1.393 443 H HN 0.446 nan 8.280 nan 0.000 0.520 444 L N 0.609 121.740 121.223 -0.155 0.000 2.046 444 L HA -0.163 4.167 4.340 -0.017 0.000 0.208 444 L C 2.211 178.943 176.870 -0.230 0.000 1.077 444 L CA 1.456 56.207 54.840 -0.148 0.000 0.747 444 L CB -0.726 41.279 42.059 -0.090 0.000 0.896 444 L HN 0.273 nan 8.230 nan 0.000 0.432 445 C N -0.444 118.621 119.300 -0.391 0.000 2.440 445 C HA -0.080 4.369 4.460 -0.017 0.000 0.278 445 C C 2.702 177.456 174.990 -0.394 0.000 1.295 445 C CA 0.862 59.580 59.018 -0.500 0.000 1.738 445 C CB -0.902 26.161 27.740 -1.129 0.000 1.987 445 C HN 0.617 nan 8.230 nan 0.000 0.492 446 I N 1.333 121.621 120.570 -0.470 0.000 2.202 446 I HA -0.183 3.977 4.170 -0.017 0.000 0.242 446 I C 2.735 178.689 176.117 -0.271 0.000 1.091 446 I CA 1.617 62.667 61.300 -0.415 0.000 1.368 446 I CB -0.499 37.080 38.000 -0.702 0.000 1.058 446 I HN 0.257 nan 8.210 nan 0.000 0.410 447 A N 0.446 123.073 122.820 -0.321 0.000 1.933 447 A HA -0.090 4.220 4.320 -0.017 0.000 0.218 447 A C 2.198 179.812 177.584 0.051 0.000 1.175 447 A CA 1.851 53.744 52.037 -0.240 0.000 0.628 447 A CB -1.103 17.559 19.000 -0.564 0.000 0.814 447 A HN 0.477 nan 8.150 nan 0.000 0.444 448 G N -1.171 107.604 108.800 -0.042 0.000 3.337 448 G HA2 0.416 4.366 3.960 -0.017 0.000 0.246 448 G HA3 0.416 4.366 3.960 -0.017 0.000 0.246 448 G C 0.087 174.833 174.900 -0.256 0.000 1.131 448 G CA 0.433 45.393 45.100 -0.233 0.000 0.773 448 G HN 0.337 nan 8.290 nan 0.000 0.544 449 S N -0.220 115.383 115.700 -0.162 0.000 2.532 449 S HA 0.328 4.788 4.470 -0.017 0.000 0.301 449 S C 0.744 175.295 174.600 -0.081 0.000 1.083 449 S CA -0.710 57.422 58.200 -0.114 0.000 1.025 449 S CB 1.257 64.393 63.200 -0.106 0.000 1.056 449 S HN 0.510 nan 8.310 nan 0.000 0.494 450 H N -0.105 118.926 119.070 -0.065 0.000 2.551 450 H HA 0.512 5.058 4.556 -0.017 0.000 0.266 450 H C 0.091 175.398 175.328 -0.034 0.000 0.964 450 H CA 0.202 56.235 56.048 -0.026 0.000 1.180 450 H CB 0.166 29.929 29.762 0.002 0.000 1.408 450 H HN 0.509 nan 8.280 nan 0.000 0.563 451 A N 0.999 123.513 122.820 -0.511 0.000 2.488 451 A HA 0.552 4.862 4.320 -0.017 0.000 0.298 451 A C -1.462 175.914 177.584 -0.346 0.000 1.044 451 A CA -0.567 51.218 52.037 -0.421 0.000 0.693 451 A CB 2.211 20.918 19.000 -0.489 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.240 123.918 119.914 -0.393 0.000 2.531 452 V HA 0.546 4.655 4.120 -0.017 0.000 0.301 452 V C -0.728 175.166 176.094 -0.334 0.000 1.034 452 V CA -0.730 61.327 62.300 -0.405 0.000 0.865 452 V CB 1.821 33.256 31.823 -0.646 0.000 0.995 452 V HN 1.020 nan 8.190 nan 0.000 0.424 453 N N 3.199 121.719 118.700 -0.300 0.000 2.229 453 N HA 0.607 5.337 4.740 -0.017 0.000 0.298 453 N C -0.297 175.102 175.510 -0.185 0.000 1.114 453 N CA -0.373 52.547 53.050 -0.216 0.000 0.776 453 N CB 2.895 41.231 38.487 -0.251 0.000 1.501 453 N HN 0.632 nan 8.380 nan 0.000 0.474 454 G N -0.732 108.002 108.800 -0.111 0.000 2.522 454 G HA2 0.419 4.369 3.960 -0.017 0.000 0.304 454 G HA3 0.419 4.369 3.960 -0.017 0.000 0.304 454 G C 0.757 175.714 174.900 0.094 0.000 1.210 454 G CA -0.525 44.560 45.100 -0.026 0.000 0.960 454 G HN 0.637 nan 8.290 nan 0.000 0.497 455 V N -3.542 116.544 119.914 0.286 0.000 3.319 455 V HA 0.695 4.805 4.120 -0.017 0.000 0.317 455 V C 0.532 176.713 176.094 0.146 0.000 1.411 455 V CA 0.294 62.687 62.300 0.154 0.000 1.112 455 V CB -0.800 31.081 31.823 0.096 0.000 1.031 455 V HN 1.368 nan 8.190 nan 0.000 0.448 456 A N -0.131 122.782 122.820 0.156 0.000 2.594 456 A HA 0.621 4.930 4.320 -0.017 0.000 0.296 456 A C 0.662 178.298 177.584 0.087 0.000 1.056 456 A CA -0.095 52.011 52.037 0.115 0.000 0.693 456 A CB 1.169 20.230 19.000 0.102 0.000 1.278 456 A HN 0.052 nan 8.150 nan 0.000 0.408 457 R N 1.058 121.587 120.500 0.050 0.000 2.112 457 R HA -0.188 4.141 4.340 -0.017 0.000 0.242 457 R C 1.719 178.021 176.300 0.002 0.000 1.137 457 R CA 2.405 58.512 56.100 0.012 0.000 0.944 457 R CB -0.270 30.031 30.300 0.001 0.000 0.857 457 R HN 0.834 nan 8.270 nan 0.000 0.435 458 I N 0.267 120.847 120.570 0.017 0.000 2.286 458 I HA -0.315 3.845 4.170 -0.017 0.000 0.248 458 I C 2.513 178.645 176.117 0.025 0.000 1.115 458 I CA 1.698 63.001 61.300 0.006 0.000 1.392 458 I CB -0.324 37.679 38.000 0.005 0.000 1.065 458 I HN 0.410 nan 8.210 nan 0.000 0.418 459 H N -0.158 118.887 119.070 -0.042 0.000 2.363 459 H HA -0.121 4.424 4.556 -0.017 0.000 0.301 459 H C 2.242 177.537 175.328 -0.054 0.000 1.074 459 H CA 1.626 57.644 56.048 -0.050 0.000 1.354 459 H CB 0.222 29.961 29.762 -0.038 0.000 1.397 459 H HN 0.297 nan 8.280 nan 0.000 0.516 460 S N 0.528 116.119 115.700 -0.182 0.000 2.399 460 S HA -0.102 4.358 4.470 -0.017 0.000 0.231 460 S C 1.888 176.370 174.600 -0.198 0.000 1.022 460 S CA 0.978 59.046 58.200 -0.221 0.000 0.983 460 S CB -0.009 63.131 63.200 -0.100 0.000 0.803 460 S HN 0.459 nan 8.310 nan 0.000 0.480 461 E N 1.116 121.222 120.200 -0.156 0.000 2.072 461 E HA 0.029 4.369 4.350 -0.017 0.000 0.190 461 E C 1.989 178.473 176.600 -0.192 0.000 0.982 461 E CA 0.613 56.910 56.400 -0.171 0.000 0.803 461 E CB -0.347 29.283 29.700 -0.116 0.000 0.755 461 E HN 0.497 nan 8.360 nan 0.000 0.453 462 I N 0.904 121.374 120.570 -0.165 0.000 2.286 462 I HA -0.261 3.898 4.170 -0.017 0.000 0.248 462 I C 2.356 178.345 176.117 -0.213 0.000 1.115 462 I CA 0.696 61.902 61.300 -0.157 0.000 1.392 462 I CB -0.152 37.788 38.000 -0.101 0.000 1.065 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.236 121.296 121.223 -0.272 0.000 2.046 463 L HA -0.245 4.085 4.340 -0.017 0.000 0.208 463 L C 2.422 179.168 176.870 -0.206 0.000 1.077 463 L CA 1.635 56.325 54.840 -0.250 0.000 0.747 463 L CB -0.506 41.471 42.059 -0.138 0.000 0.896 463 L HN 0.196 nan 8.230 nan 0.000 0.432 464 K N -0.275 119.932 120.400 -0.321 0.000 2.167 464 K HA -0.087 4.223 4.320 -0.017 0.000 0.203 464 K C 2.044 178.429 176.600 -0.357 0.000 1.052 464 K CA 0.848 56.809 56.287 -0.544 0.000 0.956 464 K CB 0.141 32.106 32.500 -0.892 0.000 0.735 464 K HN 0.185 nan 8.250 nan 0.000 0.451 465 K N -0.253 119.999 120.400 -0.248 0.000 2.262 465 K HA -0.012 4.298 4.320 -0.017 0.000 0.200 465 K C 1.694 178.230 176.600 -0.105 0.000 1.049 465 K CA 1.370 57.565 56.287 -0.153 0.000 0.979 465 K CB 0.506 32.929 32.500 -0.129 0.000 0.773 465 K HN 0.286 nan 8.250 nan 0.000 0.474 466 T N -1.351 113.130 114.554 -0.121 0.000 2.995 466 T HA 0.055 4.395 4.350 -0.017 0.000 0.170 466 T C 1.896 176.545 174.700 -0.085 0.000 0.844 466 T CA 0.038 62.081 62.100 -0.094 0.000 1.137 466 T CB -0.792 68.014 68.868 -0.103 0.000 2.193 466 T HN 0.081 nan 8.240 nan 0.000 0.384 467 I N -0.518 119.947 120.570 -0.175 0.000 2.248 467 I HA 0.037 4.197 4.170 -0.017 0.000 0.248 467 I C 1.616 177.726 176.117 -0.012 0.000 1.107 467 I CA 1.681 62.854 61.300 -0.212 0.000 1.373 467 I CB -0.741 36.954 38.000 -0.508 0.000 1.055 467 I HN 0.306 nan 8.210 nan 0.000 0.418 468 F N 0.742 120.766 119.950 0.123 0.000 2.708 468 F HA 0.313 4.830 4.527 -0.017 0.000 0.300 468 F C 2.042 177.916 175.800 0.124 0.000 1.118 468 F CA -0.638 57.511 58.000 0.249 0.000 1.307 468 F CB 0.117 39.277 39.000 0.267 0.000 0.986 468 F HN -0.058 nan 8.300 nan 0.000 0.522 469 K N 1.050 121.551 120.400 0.169 0.000 2.044 469 K HA -0.222 4.087 4.320 -0.017 0.000 0.210 469 K C 1.347 177.990 176.600 0.071 0.000 1.049 469 K CA 2.194 58.522 56.287 0.069 0.000 0.927 469 K CB -0.014 32.495 32.500 0.015 0.000 0.713 469 K HN 0.155 nan 8.250 nan 0.000 0.443 470 D N -0.098 120.314 120.400 0.020 0.000 2.123 470 D HA -0.162 4.467 4.640 -0.017 0.000 0.196 470 D C 1.810 177.998 176.300 -0.187 0.000 0.992 470 D CA 1.273 55.158 54.000 -0.191 0.000 0.833 470 D CB -0.314 40.266 40.800 -0.368 0.000 0.954 470 D HN 0.247 nan 8.370 nan 0.000 0.455 471 F N -0.232 119.796 119.950 0.130 0.000 2.186 471 F HA -0.133 4.383 4.527 -0.017 0.000 0.299 471 F C 2.323 178.275 175.800 0.254 0.000 1.090 471 F CA 0.485 58.639 58.000 0.256 0.000 1.307 471 F CB -0.627 38.590 39.000 0.361 0.000 1.019 471 F HN -0.020 nan 8.300 nan 0.000 0.489 472 Y N 1.321 121.593 120.300 -0.047 0.000 2.242 472 Y HA -0.163 4.377 4.550 -0.017 0.000 0.291 472 Y C 2.075 177.962 175.900 -0.022 0.000 1.137 472 Y CA 1.531 59.431 58.100 -0.334 0.000 1.181 472 Y CB -0.574 37.489 38.460 -0.661 0.000 0.989 472 Y HN 0.124 nan 8.280 nan 0.000 0.527 473 E N -0.335 119.809 120.200 -0.094 0.000 2.150 473 E HA -0.180 4.160 4.350 -0.017 0.000 0.193 473 E C 1.964 178.600 176.600 0.061 0.000 0.985 473 E CA 1.138 57.489 56.400 -0.082 0.000 0.814 473 E CB -0.206 29.498 29.700 0.007 0.000 0.752 473 E HN 0.440 nan 8.360 nan 0.000 0.466 474 L N 0.884 122.186 121.223 0.131 0.000 2.095 474 L HA -0.042 4.287 4.340 -0.017 0.000 0.204 474 L C 0.191 177.151 176.870 0.150 0.000 1.080 474 L CA 1.549 56.508 54.840 0.197 0.000 0.759 474 L CB 0.430 42.610 42.059 0.202 0.000 0.914 474 L HN -0.107 nan 8.230 nan 0.000 0.439 475 E N -0.222 120.062 120.200 0.140 0.000 3.132 475 E HA 0.177 4.517 4.350 -0.017 0.000 0.241 475 E C -2.019 174.531 176.600 -0.084 0.000 1.196 475 E CA -1.305 55.102 56.400 0.011 0.000 0.869 475 E CB 0.837 30.520 29.700 -0.029 0.000 1.387 475 E HN 0.155 nan 8.360 nan 0.000 0.393 476 P HA -0.250 nan 4.420 nan 0.000 0.216 476 P C 1.122 178.509 177.300 0.145 0.000 1.150 476 P CA 1.548 64.554 63.100 -0.156 0.000 0.837 476 P CB -0.025 31.476 31.700 -0.332 0.000 0.786 477 H N -0.462 118.699 119.070 0.153 0.000 2.457 477 H HA -0.007 4.539 4.556 -0.017 0.000 0.297 477 H C 1.917 177.332 175.328 0.146 0.000 1.092 477 H CA 1.149 57.281 56.048 0.140 0.000 1.309 477 H CB -0.874 28.943 29.762 0.092 0.000 1.382 477 H HN 0.101 nan 8.280 nan 0.000 0.535 478 K N 0.090 120.340 120.400 -0.250 0.000 2.097 478 K HA -0.009 4.301 4.320 -0.017 0.000 0.205 478 K C -0.343 176.116 176.600 -0.234 0.000 1.050 478 K CA 0.399 56.544 56.287 -0.236 0.000 0.938 478 K CB 0.014 32.262 32.500 -0.420 0.000 0.718 478 K HN 0.178 nan 8.250 nan 0.000 0.442 479 F N 1.967 121.935 119.950 0.030 0.000 2.467 479 F HA 0.109 4.626 4.527 -0.017 0.000 0.362 479 F C 0.594 176.392 175.800 -0.003 0.000 1.090 479 F CA 0.162 58.185 58.000 0.038 0.000 1.202 479 F CB 0.638 39.717 39.000 0.132 0.000 1.113 479 F HN -0.023 nan 8.300 nan 0.000 0.541 480 Q N 1.515 121.338 119.800 0.038 0.000 2.668 480 Q HA 0.448 4.778 4.340 -0.017 0.000 0.298 480 Q C -1.300 174.657 176.000 -0.072 0.000 1.071 480 Q CA -1.488 54.295 55.803 -0.035 0.000 0.789 480 Q CB 2.541 31.203 28.738 -0.126 0.000 1.497 480 Q HN 0.585 nan 8.270 nan 0.000 0.460 481 N N 0.027 118.663 118.700 -0.107 0.000 2.225 481 N HA 0.314 5.044 4.740 -0.017 0.000 0.298 481 N C -1.816 173.591 175.510 -0.171 0.000 1.076 481 N CA -0.492 52.494 53.050 -0.107 0.000 0.792 481 N CB 1.267 39.716 38.487 -0.063 0.000 1.498 481 N HN 0.238 nan 8.380 nan 0.000 0.474 482 K N 2.382 122.684 120.400 -0.163 0.000 2.764 482 K HA 0.231 4.541 4.320 -0.017 0.000 0.239 482 K C -1.121 175.481 176.600 0.003 0.000 1.048 482 K CA -0.493 55.667 56.287 -0.211 0.000 1.057 482 K CB 0.993 33.134 32.500 -0.600 0.000 1.251 482 K HN 0.652 nan 8.250 nan 0.000 0.524 483 T N 2.020 116.593 114.554 0.032 0.000 2.902 483 T HA 0.051 4.391 4.350 -0.017 0.000 0.301 483 T C 0.802 175.626 174.700 0.207 0.000 1.012 483 T CA 0.393 62.564 62.100 0.118 0.000 1.151 483 T CB 0.301 69.232 68.868 0.105 0.000 0.946 483 T HN 0.349 nan 8.240 nan 0.000 0.542 484 N N 0.564 119.415 118.700 0.252 0.000 2.297 484 N HA 0.427 5.157 4.740 -0.017 0.000 0.232 484 N C 0.472 176.172 175.510 0.317 0.000 1.311 484 N CA -0.188 53.049 53.050 0.311 0.000 0.897 484 N CB 0.400 39.017 38.487 0.216 0.000 1.137 484 N HN 0.767 nan 8.380 nan 0.000 0.449 485 G N -0.687 108.309 108.800 0.327 0.000 2.645 485 G HA2 0.578 4.528 3.960 -0.017 0.000 0.292 485 G HA3 0.578 4.528 3.960 -0.017 0.000 0.292 485 G C -1.466 173.574 174.900 0.235 0.000 1.415 485 G CA -0.752 44.523 45.100 0.292 0.000 0.785 485 G HN 0.598 nan 8.290 nan 0.000 0.483 486 I N -2.354 118.338 120.570 0.203 0.000 2.892 486 I HA 0.774 4.933 4.170 -0.017 0.000 0.306 486 I C -0.163 176.117 176.117 0.272 0.000 1.078 486 I CA -0.980 60.436 61.300 0.194 0.000 1.032 486 I CB 2.464 40.470 38.000 0.011 0.000 1.229 486 I HN 0.499 nan 8.210 nan 0.000 0.435 487 T N 3.929 118.698 114.554 0.358 0.000 2.794 487 T HA 0.365 4.705 4.350 -0.017 0.000 0.296 487 T C -1.421 173.397 174.700 0.197 0.000 0.949 487 T CA -1.656 60.575 62.100 0.219 0.000 1.101 487 T CB 0.793 69.736 68.868 0.125 0.000 0.905 487 T HN 0.624 nan 8.240 nan 0.000 0.516 488 P HA 0.010 nan 4.420 nan 0.000 0.226 488 P C 1.182 178.459 177.300 -0.038 0.000 1.153 488 P CA 0.459 63.600 63.100 0.068 0.000 0.777 488 P CB 0.332 32.055 31.700 0.039 0.000 0.794 489 R N 0.356 120.784 120.500 -0.119 0.000 2.064 489 R HA -0.019 4.311 4.340 -0.017 0.000 0.228 489 R C 2.708 178.895 176.300 -0.189 0.000 1.144 489 R CA 1.631 57.618 56.100 -0.188 0.000 0.932 489 R CB -1.163 29.028 30.300 -0.182 0.000 0.833 489 R HN 0.067 nan 8.270 nan 0.000 0.429 490 R N -0.814 119.515 120.500 -0.284 0.000 2.073 490 R HA -0.103 4.226 4.340 -0.017 0.000 0.229 490 R C 1.106 177.061 176.300 -0.575 0.000 1.120 490 R CA 1.482 57.271 56.100 -0.517 0.000 0.967 490 R CB -0.190 29.635 30.300 -0.792 0.000 0.862 490 R HN 0.290 nan 8.270 nan 0.000 0.436 491 W N 0.139 121.398 121.300 -0.069 0.000 3.377 491 W HA 0.123 4.772 4.660 -0.018 0.000 0.277 491 W C 0.961 177.449 176.519 -0.051 0.000 1.311 491 W CA -0.617 56.685 57.345 -0.071 0.000 1.703 491 W CB 0.376 29.799 29.460 -0.063 0.000 1.095 491 W HN 0.251 nan 8.180 nan 0.000 0.715 492 L N -2.583 118.691 121.223 0.085 0.000 2.024 492 L HA 0.154 4.484 4.340 -0.017 0.000 0.137 492 L C 1.703 178.594 176.870 0.033 0.000 1.357 492 L CA 0.731 55.620 54.840 0.083 0.000 1.059 492 L CB -0.877 41.259 42.059 0.130 0.000 2.165 492 L HN -0.262 nan 8.230 nan 0.000 0.478 493 V N 0.907 120.824 119.914 0.005 0.000 2.287 493 V HA -0.260 3.850 4.120 -0.017 0.000 0.248 493 V C 2.472 178.543 176.094 -0.039 0.000 1.053 493 V CA 2.379 64.671 62.300 -0.014 0.000 1.027 493 V CB -0.668 31.115 31.823 -0.067 0.000 0.646 493 V HN 0.397 nan 8.190 nan 0.000 0.447 494 L N 0.343 121.511 121.223 -0.091 0.000 2.023 494 L HA -0.129 4.200 4.340 -0.017 0.000 0.205 494 L C 2.556 179.363 176.870 -0.106 0.000 1.073 494 L CA 2.381 57.150 54.840 -0.118 0.000 0.745 494 L CB -0.724 41.214 42.059 -0.202 0.000 0.900 494 L HN 0.665 nan 8.230 nan 0.000 0.435 495 C N -2.840 116.390 119.300 -0.116 0.000 2.514 495 C HA 0.118 4.568 4.460 -0.017 0.000 0.271 495 C C 1.322 176.294 174.990 -0.030 0.000 1.399 495 C CA -0.330 58.638 59.018 -0.083 0.000 1.765 495 C CB -1.536 26.154 27.740 -0.084 0.000 1.893 495 C HN 0.555 nan 8.230 nan 0.000 0.531 496 N N 1.369 120.063 118.700 -0.010 0.000 2.765 496 N HA 0.257 4.987 4.740 -0.017 0.000 0.277 496 N C -1.806 173.714 175.510 0.017 0.000 1.750 496 N CA -1.251 51.804 53.050 0.008 0.000 0.827 496 N CB 1.186 39.685 38.487 0.021 0.000 1.200 496 N HN 0.234 nan 8.380 nan 0.000 0.494 497 P HA -0.079 nan 4.420 nan 0.000 0.218 497 P C 1.472 178.788 177.300 0.026 0.000 1.149 497 P CA 1.061 64.172 63.100 0.019 0.000 0.817 497 P CB 0.226 31.931 31.700 0.009 0.000 0.785 498 G N 0.728 109.538 108.800 0.018 0.000 2.440 498 G HA2 -0.225 3.724 3.960 -0.017 0.000 0.218 498 G HA3 -0.225 3.724 3.960 -0.017 0.000 0.218 498 G C 1.632 176.540 174.900 0.014 0.000 1.154 498 G CA 0.296 45.404 45.100 0.014 0.000 0.767 498 G HN 0.236 nan 8.290 nan 0.000 0.552 499 L N 0.436 121.667 121.223 0.014 0.000 2.072 499 L HA 0.046 4.376 4.340 -0.017 0.000 0.205 499 L C 3.259 180.147 176.870 0.029 0.000 1.079 499 L CA 1.443 56.288 54.840 0.008 0.000 0.752 499 L CB -0.476 41.587 42.059 0.008 0.000 0.906 499 L HN 0.331 nan 8.230 nan 0.000 0.436 500 A N -0.249 122.608 122.820 0.062 0.000 1.940 500 A HA -0.301 4.009 4.320 -0.017 0.000 0.219 500 A C 2.174 179.831 177.584 0.122 0.000 1.176 500 A CA 2.032 54.148 52.037 0.131 0.000 0.631 500 A CB -0.578 18.513 19.000 0.152 0.000 0.814 500 A HN 0.608 nan 8.150 nan 0.000 0.446 501 E N 0.295 120.541 120.200 0.076 0.000 2.028 501 E HA -0.184 4.156 4.350 -0.017 0.000 0.191 501 E C 2.003 178.633 176.600 0.050 0.000 0.988 501 E CA 1.546 57.984 56.400 0.062 0.000 0.799 501 E CB -0.344 29.380 29.700 0.040 0.000 0.755 501 E HN 0.769 nan 8.360 nan 0.000 0.447 502 I N -1.317 119.280 120.570 0.046 0.000 2.614 502 I HA -0.155 4.005 4.170 -0.017 0.000 0.258 502 I C 2.126 178.293 176.117 0.083 0.000 1.189 502 I CA 1.003 62.344 61.300 0.069 0.000 1.462 502 I CB -0.270 37.774 38.000 0.073 0.000 1.092 502 I HN 0.095 nan 8.210 nan 0.000 0.442 503 I N 1.756 122.343 120.570 0.029 0.000 2.333 503 I HA -0.110 4.050 4.170 -0.017 0.000 0.246 503 I C 2.956 178.989 176.117 -0.141 0.000 1.106 503 I CA 1.110 62.350 61.300 -0.100 0.000 1.411 503 I CB -0.345 37.482 38.000 -0.289 0.000 1.082 503 I HN 0.281 nan 8.210 nan 0.000 0.420 504 A N 1.150 123.972 122.820 0.004 0.000 1.969 504 A HA -0.230 4.080 4.320 -0.017 0.000 0.218 504 A C 2.175 179.775 177.584 0.027 0.000 1.169 504 A CA 1.746 53.849 52.037 0.109 0.000 0.635 504 A CB -0.656 18.460 19.000 0.194 0.000 0.810 504 A HN 0.627 nan 8.150 nan 0.000 0.445 505 E N -0.270 119.928 120.200 -0.004 0.000 2.338 505 E HA -0.176 4.164 4.350 -0.017 0.000 0.197 505 E C 1.731 178.287 176.600 -0.074 0.000 1.007 505 E CA 1.016 57.404 56.400 -0.019 0.000 0.849 505 E CB -0.078 29.621 29.700 -0.002 0.000 0.774 505 E HN 0.568 nan 8.360 nan 0.000 0.506 506 R N 0.774 121.168 120.500 -0.176 0.000 2.167 506 R HA 0.191 4.521 4.340 -0.017 0.000 0.201 506 R C 2.272 178.455 176.300 -0.195 0.000 1.024 506 R CA 1.060 56.978 56.100 -0.304 0.000 1.053 506 R CB -0.224 29.570 30.300 -0.845 0.000 0.987 506 R HN 0.409 nan 8.270 nan 0.000 0.493 507 I N -2.581 117.891 120.570 -0.163 0.000 4.081 507 I HA 0.466 4.626 4.170 -0.017 0.000 0.333 507 I C 0.356 176.498 176.117 0.042 0.000 1.413 507 I CA -0.047 61.220 61.300 -0.055 0.000 1.110 507 I CB 0.973 38.924 38.000 -0.081 0.000 1.082 507 I HN 0.181 nan 8.210 nan 0.000 0.402 508 G N 1.904 110.741 108.800 0.062 0.000 2.698 508 G HA2 -0.211 3.739 3.960 -0.017 0.000 0.225 508 G HA3 -0.211 3.739 3.960 -0.017 0.000 0.225 508 G C -0.094 174.935 174.900 0.215 0.000 1.345 508 G CA 0.104 45.268 45.100 0.107 0.000 0.871 508 G HN 0.412 nan 8.290 nan 0.000 0.540 509 E N -0.387 119.890 120.200 0.128 0.000 2.481 509 E HA 0.117 4.457 4.350 -0.017 0.000 0.198 509 E C 1.870 178.407 176.600 -0.105 0.000 1.027 509 E CA 0.155 56.570 56.400 0.025 0.000 0.900 509 E CB 0.302 30.007 29.700 0.009 0.000 0.993 509 E HN 0.603 nan 8.360 nan 0.000 0.482 510 E N 0.046 120.257 120.200 0.019 0.000 2.268 510 E HA -0.184 4.155 4.350 -0.017 0.000 0.195 510 E C 1.529 178.108 176.600 -0.035 0.000 0.995 510 E CA 0.775 57.174 56.400 -0.001 0.000 0.836 510 E CB -0.011 29.716 29.700 0.046 0.000 0.763 510 E HN 0.453 nan 8.360 nan 0.000 0.491 511 Y N -0.979 119.319 120.300 -0.004 0.000 2.352 511 Y HA -0.078 4.463 4.550 -0.016 0.000 0.292 511 Y C 1.710 177.582 175.900 -0.046 0.000 1.136 511 Y CA 0.586 58.677 58.100 -0.016 0.000 1.227 511 Y CB -0.531 37.923 38.460 -0.011 0.000 0.991 511 Y HN -0.055 nan 8.280 nan 0.000 0.545 512 I N 1.039 121.064 120.570 -0.908 0.000 2.530 512 I HA -0.238 3.922 4.170 -0.017 0.000 0.257 512 I C 1.505 177.347 176.117 -0.457 0.000 1.179 512 I CA 1.805 62.656 61.300 -0.749 0.000 1.440 512 I CB -0.378 37.099 38.000 -0.871 0.000 1.087 512 I HN 0.508 nan 8.210 nan 0.000 0.440 513 S N -2.282 113.264 115.700 -0.257 0.000 2.846 513 S HA 0.201 4.661 4.470 -0.017 0.000 0.249 513 S C 0.048 174.624 174.600 -0.041 0.000 1.028 513 S CA -0.539 57.588 58.200 -0.121 0.000 1.043 513 S CB 0.399 63.594 63.200 -0.008 0.000 0.990 513 S HN 0.284 nan 8.310 nan 0.000 0.564 514 D N 0.671 121.054 120.400 -0.029 0.000 2.934 514 D HA 0.227 4.857 4.640 -0.017 0.000 0.249 514 D C 0.402 176.738 176.300 0.059 0.000 1.293 514 D CA -0.373 53.637 54.000 0.017 0.000 0.812 514 D CB 0.353 41.168 40.800 0.024 0.000 1.439 514 D HN 0.087 nan 8.370 nan 0.000 0.555 515 L N 1.187 122.449 121.223 0.064 0.000 2.187 515 L HA -0.045 4.285 4.340 -0.017 0.000 0.213 515 L C 1.452 178.377 176.870 0.091 0.000 1.100 515 L CA 1.633 56.543 54.840 0.116 0.000 0.765 515 L CB -0.137 41.984 42.059 0.103 0.000 0.904 515 L HN 0.291 nan 8.230 nan 0.000 0.437 516 D N -0.760 119.670 120.400 0.049 0.000 2.311 516 D HA -0.205 4.424 4.640 -0.017 0.000 0.212 516 D C 1.942 178.267 176.300 0.041 0.000 0.972 516 D CA 0.751 54.768 54.000 0.028 0.000 0.887 516 D CB 0.063 40.866 40.800 0.005 0.000 0.915 516 D HN 0.561 nan 8.370 nan 0.000 0.497 517 Q N -0.243 119.599 119.800 0.069 0.000 2.436 517 Q HA 0.004 4.334 4.340 -0.017 0.000 0.209 517 Q C 2.193 178.222 176.000 0.048 0.000 0.965 517 Q CA 0.110 55.956 55.803 0.071 0.000 0.910 517 Q CB 0.168 28.974 28.738 0.113 0.000 0.980 517 Q HN 0.384 nan 8.270 nan 0.000 0.491 518 L N 0.118 121.366 121.223 0.041 0.000 2.353 518 L HA -0.188 4.142 4.340 -0.017 0.000 0.220 518 L C 2.390 179.265 176.870 0.009 0.000 1.133 518 L CA 0.707 55.538 54.840 -0.014 0.000 0.798 518 L CB -0.271 41.791 42.059 0.006 0.000 0.922 518 L HN 0.176 nan 8.230 nan 0.000 0.445 519 R N 0.919 121.434 120.500 0.025 0.000 2.103 519 R HA -0.210 4.120 4.340 -0.017 0.000 0.242 519 R C 2.140 178.459 176.300 0.032 0.000 1.142 519 R CA 1.537 57.654 56.100 0.028 0.000 0.960 519 R CB -0.095 30.217 30.300 0.020 0.000 0.858 519 R HN 0.215 nan 8.270 nan 0.000 0.439 520 K N 0.028 120.447 120.400 0.032 0.000 2.286 520 K HA -0.153 4.157 4.320 -0.017 0.000 0.203 520 K C 1.721 178.386 176.600 0.109 0.000 1.045 520 K CA 1.177 57.496 56.287 0.054 0.000 0.935 520 K CB -0.153 32.379 32.500 0.053 0.000 0.737 520 K HN 0.280 nan 8.250 nan 0.000 0.460 521 L N 0.681 121.942 121.223 0.063 0.000 2.362 521 L HA -0.117 4.213 4.340 -0.017 0.000 0.219 521 L C 1.903 178.878 176.870 0.175 0.000 1.134 521 L CA 0.509 55.401 54.840 0.087 0.000 0.807 521 L CB -0.321 41.749 42.059 0.018 0.000 0.927 521 L HN 0.219 nan 8.230 nan 0.000 0.447 522 L N -0.822 120.463 121.223 0.103 0.000 2.353 522 L HA -0.165 4.165 4.340 -0.017 0.000 0.220 522 L C 2.228 179.115 176.870 0.028 0.000 1.133 522 L CA 0.652 55.534 54.840 0.071 0.000 0.798 522 L CB -0.280 41.801 42.059 0.036 0.000 0.922 522 L HN 0.210 nan 8.230 nan 0.000 0.445 523 S N -1.516 114.176 115.700 -0.014 0.000 2.562 523 S HA -0.010 4.450 4.470 -0.017 0.000 0.221 523 S C 0.771 175.112 174.600 -0.432 0.000 0.975 523 S CA 0.336 58.394 58.200 -0.236 0.000 0.918 523 S CB -0.011 62.971 63.200 -0.363 0.000 0.772 523 S HN 0.404 nan 8.310 nan 0.000 0.531 524 Y N -0.358 119.888 120.300 -0.091 0.000 2.584 524 Y HA 0.334 4.882 4.550 -0.004 0.000 0.254 524 Y C 1.576 177.542 175.900 0.109 0.000 1.177 524 Y CA -0.615 57.441 58.100 -0.073 0.000 1.216 524 Y CB -0.328 37.894 38.460 -0.396 0.000 1.172 524 Y HN -0.009 nan 8.280 nan 0.000 0.529 525 V N 0.019 120.043 119.914 0.183 0.000 2.594 525 V HA -0.246 3.863 4.120 -0.017 0.000 0.253 525 V C 1.283 177.453 176.094 0.127 0.000 1.069 525 V CA 2.113 64.513 62.300 0.167 0.000 1.082 525 V CB -0.119 31.758 31.823 0.090 0.000 0.680 525 V HN 0.420 nan 8.190 nan 0.000 0.469 526 D N -1.084 119.367 120.400 0.085 0.000 2.379 526 D HA 0.053 4.682 4.640 -0.017 0.000 0.208 526 D C 0.634 176.980 176.300 0.078 0.000 1.065 526 D CA 0.084 54.120 54.000 0.061 0.000 0.848 526 D CB 0.114 40.925 40.800 0.020 0.000 0.949 526 D HN 0.394 nan 8.370 nan 0.000 0.509 527 D N 1.394 121.868 120.400 0.123 0.000 2.382 527 D HA -0.041 4.589 4.640 -0.017 0.000 0.259 527 D C 1.179 177.577 176.300 0.165 0.000 1.224 527 D CA 0.115 54.203 54.000 0.146 0.000 0.894 527 D CB 1.280 42.215 40.800 0.225 0.000 1.127 527 D HN -0.246 nan 8.370 nan 0.000 0.487 528 E N 3.040 123.304 120.200 0.106 0.000 2.153 528 E HA -0.135 4.205 4.350 -0.017 0.000 0.194 528 E C 1.742 178.400 176.600 0.095 0.000 0.988 528 E CA 1.346 57.796 56.400 0.083 0.000 0.811 528 E CB -0.078 29.653 29.700 0.052 0.000 0.746 528 E HN 0.596 nan 8.360 nan 0.000 0.466 529 A N -0.203 122.692 122.820 0.124 0.000 1.855 529 A HA -0.160 4.150 4.320 -0.017 0.000 0.215 529 A C 2.208 179.895 177.584 0.173 0.000 1.191 529 A CA 1.336 53.449 52.037 0.126 0.000 0.613 529 A CB -1.013 18.065 19.000 0.130 0.000 0.829 529 A HN 0.432 nan 8.150 nan 0.000 0.442 530 F N 0.358 120.336 119.950 0.048 0.000 2.095 530 F HA -0.191 4.327 4.527 -0.015 0.000 0.298 530 F C 2.128 177.941 175.800 0.022 0.000 1.104 530 F CA 1.624 59.640 58.000 0.026 0.000 1.232 530 F CB -0.118 38.920 39.000 0.064 0.000 0.987 530 F HN 0.167 nan 8.300 nan 0.000 0.475 531 I N 0.041 120.644 120.570 0.056 0.000 2.194 531 I HA -0.368 3.792 4.170 -0.017 0.000 0.246 531 I C 2.577 178.643 176.117 -0.084 0.000 1.093 531 I CA 1.444 62.715 61.300 -0.049 0.000 1.355 531 I CB -0.480 37.537 38.000 0.029 0.000 1.046 531 I HN 0.115 nan 8.210 nan 0.000 0.413 532 R N 0.350 120.830 120.500 -0.033 0.000 2.075 532 R HA -0.166 4.163 4.340 -0.017 0.000 0.232 532 R C 1.905 178.165 176.300 -0.067 0.000 1.126 532 R CA 1.587 57.665 56.100 -0.037 0.000 0.963 532 R CB -0.203 30.094 30.300 -0.005 0.000 0.858 532 R HN 0.340 nan 8.270 nan 0.000 0.435 533 D N -0.240 120.109 120.400 -0.084 0.000 2.117 533 D HA -0.110 4.520 4.640 -0.017 0.000 0.198 533 D C 1.910 178.103 176.300 -0.179 0.000 0.982 533 D CA 0.890 54.830 54.000 -0.101 0.000 0.828 533 D CB -0.092 40.679 40.800 -0.049 0.000 0.967 533 D HN -0.019 nan 8.370 nan 0.000 0.464 534 V N 1.281 120.996 119.914 -0.331 0.000 2.295 534 V HA -0.231 3.878 4.120 -0.017 0.000 0.246 534 V C 2.478 178.481 176.094 -0.152 0.000 1.049 534 V CA 1.857 63.965 62.300 -0.321 0.000 1.024 534 V CB -0.783 30.764 31.823 -0.461 0.000 0.648 534 V HN 0.190 nan 8.190 nan 0.000 0.447 535 A N -0.693 122.056 122.820 -0.118 0.000 2.015 535 A HA -0.224 4.086 4.320 -0.017 0.000 0.219 535 A C 2.350 179.897 177.584 -0.062 0.000 1.163 535 A CA 1.960 53.959 52.037 -0.064 0.000 0.646 535 A CB -0.412 18.554 19.000 -0.057 0.000 0.806 535 A HN 0.518 nan 8.150 nan 0.000 0.448 536 K N -0.282 120.079 120.400 -0.065 0.000 2.062 536 K HA -0.035 4.275 4.320 -0.017 0.000 0.205 536 K C 1.807 178.383 176.600 -0.040 0.000 1.051 536 K CA 1.305 57.564 56.287 -0.047 0.000 0.941 536 K CB -0.191 32.286 32.500 -0.039 0.000 0.719 536 K HN 0.225 nan 8.250 nan 0.000 0.440 537 V N 1.689 121.575 119.914 -0.047 0.000 2.332 537 V HA -0.248 3.862 4.120 -0.017 0.000 0.248 537 V C 2.320 178.400 176.094 -0.024 0.000 1.055 537 V CA 1.916 64.197 62.300 -0.033 0.000 1.038 537 V CB -0.383 31.415 31.823 -0.042 0.000 0.651 537 V HN 0.336 nan 8.190 nan 0.000 0.450 538 K N -0.194 120.188 120.400 -0.030 0.000 2.097 538 K HA -0.210 4.100 4.320 -0.017 0.000 0.205 538 K C 2.202 178.774 176.600 -0.047 0.000 1.050 538 K CA 1.345 57.619 56.287 -0.021 0.000 0.938 538 K CB -0.234 32.266 32.500 -0.000 0.000 0.718 538 K HN 0.332 nan 8.250 nan 0.000 0.442 539 Q N 0.942 120.709 119.800 -0.055 0.000 2.119 539 Q HA -0.101 4.229 4.340 -0.017 0.000 0.201 539 Q C 1.484 177.462 176.000 -0.036 0.000 0.972 539 Q CA 1.768 57.529 55.803 -0.070 0.000 0.847 539 Q CB 0.029 28.729 28.738 -0.062 0.000 0.903 539 Q HN 0.414 nan 8.270 nan 0.000 0.433 540 E N -0.559 119.633 120.200 -0.013 0.000 2.106 540 E HA -0.116 4.224 4.350 -0.017 0.000 0.192 540 E C 1.696 178.319 176.600 0.039 0.000 0.984 540 E CA 1.024 57.431 56.400 0.013 0.000 0.806 540 E CB -0.058 29.649 29.700 0.011 0.000 0.750 540 E HN 0.504 nan 8.360 nan 0.000 0.458 541 N N 0.252 118.971 118.700 0.032 0.000 2.188 541 N HA -0.139 4.591 4.740 -0.017 0.000 0.184 541 N C 1.587 177.174 175.510 0.129 0.000 1.018 541 N CA 0.802 53.892 53.050 0.067 0.000 0.858 541 N CB 0.075 38.585 38.487 0.038 0.000 0.989 541 N HN 0.011 nan 8.380 nan 0.000 0.426 542 K N 0.367 120.803 120.400 0.060 0.000 2.103 542 K HA -0.054 4.256 4.320 -0.017 0.000 0.204 542 K C 1.703 178.418 176.600 0.192 0.000 1.052 542 K CA 0.609 56.943 56.287 0.079 0.000 0.945 542 K CB -0.002 32.281 32.500 -0.362 0.000 0.722 542 K HN 0.025 nan 8.250 nan 0.000 0.443 543 L N 1.812 123.095 121.223 0.101 0.000 2.056 543 L HA -0.143 4.187 4.340 -0.017 0.000 0.207 543 L C 2.218 179.179 176.870 0.152 0.000 1.078 543 L CA 1.725 56.630 54.840 0.109 0.000 0.749 543 L CB -0.393 41.704 42.059 0.063 0.000 0.901 543 L HN 0.057 nan 8.230 nan 0.000 0.433 544 K N -1.522 118.974 120.400 0.160 0.000 2.026 544 K HA -0.239 4.071 4.320 -0.017 0.000 0.208 544 K C 2.271 179.019 176.600 0.246 0.000 1.048 544 K CA 1.627 58.018 56.287 0.174 0.000 0.929 544 K CB -0.317 32.273 32.500 0.151 0.000 0.713 544 K HN 0.154 nan 8.250 nan 0.000 0.439 545 F N 1.314 121.361 119.950 0.161 0.000 2.134 545 F HA -0.144 4.373 4.527 -0.017 0.000 0.299 545 F C 2.070 178.007 175.800 0.229 0.000 1.097 545 F CA 1.399 59.516 58.000 0.195 0.000 1.264 545 F CB -0.509 38.617 39.000 0.211 0.000 1.001 545 F HN 0.072 nan 8.300 nan 0.000 0.479 546 A N -0.079 122.867 122.820 0.210 0.000 1.972 546 A HA -0.027 4.282 4.320 -0.017 0.000 0.219 546 A C 2.370 179.974 177.584 0.034 0.000 1.169 546 A CA 1.641 53.729 52.037 0.085 0.000 0.635 546 A CB -1.386 17.714 19.000 0.166 0.000 0.810 546 A HN 0.449 nan 8.150 nan 0.000 0.446 547 A N -1.537 121.332 122.820 0.082 0.000 1.897 547 A HA -0.029 4.281 4.320 -0.017 0.000 0.215 547 A C 2.105 179.719 177.584 0.052 0.000 1.181 547 A CA 1.420 53.504 52.037 0.078 0.000 0.620 547 A CB -0.754 18.306 19.000 0.100 0.000 0.821 547 A HN 0.734 nan 8.150 nan 0.000 0.443 548 Y N 0.429 120.685 120.300 -0.073 0.000 2.224 548 Y HA -0.128 4.412 4.550 -0.017 0.000 0.289 548 Y C 1.885 177.720 175.900 -0.108 0.000 1.146 548 Y CA 1.660 59.709 58.100 -0.084 0.000 1.182 548 Y CB -0.176 38.218 38.460 -0.110 0.000 0.983 548 Y HN 0.204 nan 8.280 nan 0.000 0.524 549 L N 0.449 121.551 121.223 -0.202 0.000 2.056 549 L HA -0.204 4.126 4.340 -0.017 0.000 0.207 549 L C 2.615 179.432 176.870 -0.087 0.000 1.078 549 L CA 2.047 56.762 54.840 -0.209 0.000 0.749 549 L CB -0.657 41.240 42.059 -0.270 0.000 0.901 549 L HN 0.447 nan 8.230 nan 0.000 0.433 550 E N 0.034 120.206 120.200 -0.046 0.000 2.072 550 E HA -0.250 4.089 4.350 -0.017 0.000 0.191 550 E C 2.270 178.840 176.600 -0.050 0.000 0.985 550 E CA 0.837 57.238 56.400 0.002 0.000 0.801 550 E CB -0.213 29.526 29.700 0.067 0.000 0.750 550 E HN 0.319 nan 8.360 nan 0.000 0.452 551 R N 0.507 120.952 120.500 -0.091 0.000 2.070 551 R HA -0.093 4.236 4.340 -0.017 0.000 0.232 551 R C 2.197 178.382 176.300 -0.190 0.000 1.138 551 R CA 1.966 57.995 56.100 -0.119 0.000 0.936 551 R CB -0.039 30.195 30.300 -0.109 0.000 0.839 551 R HN 0.319 nan 8.270 nan 0.000 0.429 552 E N -1.290 118.723 120.200 -0.311 0.000 2.447 552 E HA -0.062 4.278 4.350 -0.017 0.000 0.195 552 E C 0.260 176.466 176.600 -0.657 0.000 1.028 552 E CA 0.682 56.807 56.400 -0.458 0.000 0.876 552 E CB 0.546 29.920 29.700 -0.544 0.000 0.885 552 E HN 0.476 nan 8.360 nan 0.000 0.500 553 Y N 0.708 120.883 120.300 -0.209 0.000 2.768 553 Y HA 0.133 4.673 4.550 -0.017 0.000 0.249 553 Y C -0.109 175.751 175.900 -0.067 0.000 1.146 553 Y CA -0.812 57.220 58.100 -0.113 0.000 1.171 553 Y CB 0.522 38.917 38.460 -0.108 0.000 1.249 553 Y HN -0.195 nan 8.280 nan 0.000 0.567 554 K N 1.866 122.276 120.400 0.017 0.000 4.047 554 K HA -0.158 4.151 4.320 -0.017 0.000 0.379 554 K C -1.103 175.530 176.600 0.055 0.000 0.767 554 K CA 0.835 57.136 56.287 0.024 0.000 0.823 554 K CB -0.626 31.871 32.500 -0.006 0.000 1.888 554 K HN 0.265 nan 8.250 nan 0.000 0.316 555 V N 2.379 122.334 119.914 0.068 0.000 3.266 555 V HA 0.265 4.375 4.120 -0.017 0.000 0.313 555 V C -1.445 174.747 176.094 0.162 0.000 1.686 555 V CA -0.480 61.871 62.300 0.085 0.000 0.954 555 V CB 1.394 33.251 31.823 0.056 0.000 0.984 555 V HN 0.819 nan 8.190 nan 0.000 0.486 556 H N 1.245 120.310 119.070 -0.008 0.000 3.124 556 H HA 0.515 5.061 4.556 -0.017 0.000 0.328 556 H C -0.813 174.518 175.328 0.005 0.000 1.478 556 H CA -0.301 55.747 56.048 0.000 0.000 1.627 556 H CB 0.467 30.234 29.762 0.008 0.000 2.050 556 H HN 0.716 nan 8.280 nan 0.000 0.641 557 I N 0.034 120.486 120.570 -0.195 0.000 2.638 557 I HA 0.356 4.516 4.170 -0.017 0.000 0.286 557 I C 0.370 176.361 176.117 -0.210 0.000 1.088 557 I CA -0.693 60.512 61.300 -0.158 0.000 1.397 557 I CB 0.960 38.898 38.000 -0.103 0.000 1.414 557 I HN 0.444 nan 8.210 nan 0.000 0.566 558 N N 7.621 126.270 118.700 -0.084 0.000 2.411 558 N HA 0.252 4.982 4.740 -0.017 0.000 0.259 558 N C -1.727 173.839 175.510 0.093 0.000 1.103 558 N CA -2.502 50.524 53.050 -0.040 0.000 0.954 558 N CB 0.761 39.242 38.487 -0.009 0.000 1.085 558 N HN 0.448 nan 8.380 nan 0.000 0.485 559 P HA 0.004 nan 4.420 nan 0.000 0.242 559 P C -0.417 176.845 177.300 -0.064 0.000 1.197 559 P CA 0.822 63.955 63.100 0.054 0.000 0.765 559 P CB 0.107 31.829 31.700 0.037 0.000 0.936 560 N N -0.801 117.891 118.700 -0.013 0.000 2.205 560 N HA 0.010 4.740 4.740 -0.017 0.000 0.201 560 N C 0.500 176.020 175.510 0.015 0.000 1.128 560 N CA -0.186 52.853 53.050 -0.018 0.000 0.867 560 N CB 0.223 38.714 38.487 0.006 0.000 0.996 560 N HN 0.124 nan 8.380 nan 0.000 0.503 561 S N 0.423 116.136 115.700 0.022 0.000 2.645 561 S HA 0.290 4.749 4.470 -0.017 0.000 0.266 561 S C -0.106 174.432 174.600 -0.104 0.000 1.258 561 S CA -0.917 57.282 58.200 -0.003 0.000 0.990 561 S CB 1.029 64.256 63.200 0.044 0.000 0.967 561 S HN 0.072 nan 8.310 nan 0.000 0.556 562 L N 1.514 122.528 121.223 -0.348 0.000 2.319 562 L HA 0.444 4.774 4.340 -0.017 0.000 0.280 562 L C -1.098 175.727 176.870 -0.076 0.000 1.099 562 L CA -0.645 53.802 54.840 -0.654 0.000 0.828 562 L CB -0.794 40.597 42.059 -1.113 0.000 1.150 562 L HN 0.607 nan 8.230 nan 0.000 0.442 563 F N 4.136 123.943 119.950 -0.239 0.000 2.423 563 F HA 0.221 4.739 4.527 -0.016 0.000 0.356 563 F C 0.543 176.267 175.800 -0.127 0.000 1.170 563 F CA -0.766 57.160 58.000 -0.123 0.000 1.163 563 F CB -0.183 38.789 39.000 -0.047 0.000 1.318 563 F HN 0.510 nan 8.300 nan 0.000 0.569 564 D N 3.988 124.380 120.400 -0.013 0.000 2.380 564 D HA 0.321 4.951 4.640 -0.017 0.000 0.230 564 D C -0.851 175.383 176.300 -0.110 0.000 1.154 564 D CA 0.042 53.992 54.000 -0.082 0.000 0.859 564 D CB 0.928 41.666 40.800 -0.103 0.000 1.045 564 D HN 0.124 nan 8.370 nan 0.000 0.495 565 V N 4.237 124.069 119.914 -0.136 0.000 2.495 565 V HA 0.401 4.511 4.120 -0.017 0.000 0.298 565 V C -0.083 175.856 176.094 -0.259 0.000 1.031 565 V CA -0.835 61.366 62.300 -0.164 0.000 0.871 565 V CB 1.765 33.563 31.823 -0.040 0.000 0.988 565 V HN 0.485 nan 8.190 nan 0.000 0.432 566 Q N 3.475 123.140 119.800 -0.225 0.000 2.533 566 Q HA 0.622 4.952 4.340 -0.017 0.000 0.251 566 Q C -1.490 174.340 176.000 -0.283 0.000 0.966 566 Q CA -0.420 55.237 55.803 -0.243 0.000 0.714 566 Q CB 1.913 30.537 28.738 -0.191 0.000 1.284 566 Q HN 0.816 nan 8.270 nan 0.000 0.478 567 V N 1.405 121.133 119.914 -0.310 0.000 2.531 567 V HA 0.879 4.988 4.120 -0.017 0.000 0.301 567 V C -0.898 174.897 176.094 -0.498 0.000 1.034 567 V CA -0.555 61.368 62.300 -0.628 0.000 0.865 567 V CB 1.209 32.419 31.823 -1.023 0.000 0.995 567 V HN 0.807 nan 8.190 nan 0.000 0.424 568 K N 2.455 122.608 120.400 -0.411 0.000 3.040 568 K HA 0.440 4.750 4.320 -0.017 0.000 0.300 568 K C -1.212 175.377 176.600 -0.019 0.000 1.092 568 K CA -1.226 55.010 56.287 -0.086 0.000 0.831 568 K CB 0.826 33.281 32.500 -0.075 0.000 1.469 568 K HN 0.427 nan 8.250 nan 0.000 0.365 569 R N 0.861 121.413 120.500 0.086 0.000 2.698 569 R HA 0.144 4.474 4.340 -0.017 0.000 0.266 569 R C 0.330 176.644 176.300 0.023 0.000 1.026 569 R CA -0.283 55.877 56.100 0.099 0.000 1.102 569 R CB -0.177 30.229 30.300 0.176 0.000 0.978 569 R HN 0.473 nan 8.270 nan 0.000 0.436 570 I N 4.135 124.701 120.570 -0.007 0.000 2.452 570 I HA 0.111 4.271 4.170 -0.017 0.000 0.287 570 I C 0.706 176.727 176.117 -0.160 0.000 1.079 570 I CA 0.561 61.808 61.300 -0.088 0.000 1.387 570 I CB -0.175 37.763 38.000 -0.103 0.000 1.404 570 I HN 0.287 nan 8.210 nan 0.000 0.522 571 H N 4.215 123.181 119.070 -0.172 0.000 3.046 571 H HA 0.225 4.771 4.556 -0.017 0.000 0.363 571 H C 0.426 175.612 175.328 -0.236 0.000 1.203 571 H CA -0.442 55.540 56.048 -0.110 0.000 1.169 571 H CB 2.018 31.645 29.762 -0.224 0.000 1.851 571 H HN 0.540 nan 8.280 nan 0.000 0.546 572 E N 1.464 121.715 120.200 0.085 0.000 2.110 572 E HA -0.194 4.146 4.350 -0.017 0.000 0.193 572 E C 1.369 177.609 176.600 -0.601 0.000 0.988 572 E CA 1.428 57.756 56.400 -0.120 0.000 0.804 572 E CB 0.045 29.861 29.700 0.193 0.000 0.745 572 E HN 0.560 nan 8.360 nan 0.000 0.458 573 Y N 0.504 120.181 120.300 -1.039 0.000 2.439 573 Y HA 0.018 4.558 4.550 -0.017 0.000 0.292 573 Y C 1.537 177.173 175.900 -0.439 0.000 1.130 573 Y CA 0.706 58.115 58.100 -1.151 0.000 1.254 573 Y CB -0.010 37.881 38.460 -0.949 0.000 1.000 573 Y HN -0.215 nan 8.280 nan 0.000 0.554 574 K N 0.831 120.705 120.400 -0.876 0.000 2.432 574 K HA 0.058 4.368 4.320 -0.017 0.000 0.196 574 K C 0.092 176.503 176.600 -0.315 0.000 1.038 574 K CA 0.420 56.337 56.287 -0.617 0.000 0.986 574 K CB -0.037 32.107 32.500 -0.593 0.000 0.782 574 K HN 0.275 nan 8.250 nan 0.000 0.485 575 R N 0.546 120.885 120.500 -0.267 0.000 3.264 575 R HA -0.233 4.097 4.340 -0.017 0.000 0.251 575 R C 0.275 176.488 176.300 -0.145 0.000 0.971 575 R CA 0.206 56.208 56.100 -0.163 0.000 0.658 575 R CB -1.766 28.460 30.300 -0.123 0.000 1.095 575 R HN 0.319 nan 8.270 nan 0.000 0.443 576 Q N 0.280 119.994 119.800 -0.143 0.000 2.224 576 Q HA -0.005 4.325 4.340 -0.017 0.000 0.203 576 Q C 2.060 178.008 176.000 -0.088 0.000 0.970 576 Q CA 1.218 56.952 55.803 -0.115 0.000 0.865 576 Q CB 0.085 28.758 28.738 -0.109 0.000 0.922 576 Q HN 0.566 nan 8.270 nan 0.000 0.445 577 L N -0.425 120.748 121.223 -0.083 0.000 2.083 577 L HA -0.184 4.146 4.340 -0.017 0.000 0.209 577 L C 2.010 178.876 176.870 -0.006 0.000 1.083 577 L CA 0.536 55.342 54.840 -0.056 0.000 0.752 577 L CB -0.339 41.697 42.059 -0.037 0.000 0.899 577 L HN 0.322 nan 8.230 nan 0.000 0.433 578 L N 0.033 121.243 121.223 -0.022 0.000 2.046 578 L HA -0.239 4.091 4.340 -0.017 0.000 0.208 578 L C 1.994 178.900 176.870 0.059 0.000 1.077 578 L CA 1.908 56.742 54.840 -0.009 0.000 0.747 578 L CB -0.885 41.061 42.059 -0.190 0.000 0.896 578 L HN 0.278 nan 8.230 nan 0.000 0.432 579 N N -1.694 117.012 118.700 0.010 0.000 2.084 579 N HA -0.237 4.493 4.740 -0.017 0.000 0.190 579 N C 1.967 177.561 175.510 0.141 0.000 1.030 579 N CA 1.680 54.816 53.050 0.144 0.000 0.849 579 N CB -0.149 38.358 38.487 0.032 0.000 1.012 579 N HN 0.490 nan 8.380 nan 0.000 0.423 580 C N 0.624 119.941 119.300 0.028 0.000 2.413 580 C HA -0.093 4.357 4.460 -0.017 0.000 0.276 580 C C 2.584 177.576 174.990 0.003 0.000 1.248 580 C CA 0.431 59.423 59.018 -0.044 0.000 1.742 580 C CB -1.268 26.392 27.740 -0.133 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.389 120.894 121.223 0.099 0.000 2.083 581 L HA -0.203 4.126 4.340 -0.017 0.000 0.209 581 L C 2.728 179.766 176.870 0.279 0.000 1.083 581 L CA 1.817 56.764 54.840 0.178 0.000 0.752 581 L CB -1.080 41.145 42.059 0.276 0.000 0.899 581 L HN 0.607 nan 8.230 nan 0.000 0.433 582 H N 0.118 119.318 119.070 0.216 0.000 2.357 582 H HA -0.143 4.403 4.556 -0.017 0.000 0.301 582 H C 2.282 177.620 175.328 0.015 0.000 1.082 582 H CA 2.053 58.157 56.048 0.092 0.000 1.342 582 H CB 0.302 30.058 29.762 -0.010 0.000 1.389 582 H HN 0.265 nan 8.280 nan 0.000 0.511 583 V N 0.156 119.985 119.914 -0.142 0.000 2.515 583 V HA -0.150 3.960 4.120 -0.017 0.000 0.250 583 V C 2.324 178.359 176.094 -0.098 0.000 1.058 583 V CA 1.576 63.751 62.300 -0.209 0.000 1.064 583 V CB -0.766 30.990 31.823 -0.113 0.000 0.675 583 V HN 0.365 nan 8.190 nan 0.000 0.461 584 I N 0.804 121.356 120.570 -0.029 0.000 2.439 584 I HA -0.156 4.003 4.170 -0.017 0.000 0.251 584 I C 2.661 178.847 176.117 0.115 0.000 1.139 584 I CA 1.824 63.178 61.300 0.090 0.000 1.438 584 I CB -0.665 37.372 38.000 0.062 0.000 1.085 584 I HN 0.312 nan 8.210 nan 0.000 0.427 585 T N 1.159 115.736 114.554 0.039 0.000 2.746 585 T HA -0.132 4.208 4.350 -0.017 0.000 0.267 585 T C 1.866 176.532 174.700 -0.057 0.000 1.039 585 T CA 1.137 63.254 62.100 0.029 0.000 1.142 585 T CB -0.174 68.742 68.868 0.079 0.000 0.866 585 T HN 0.073 nan 8.240 nan 0.000 0.444 586 L N 0.177 121.297 121.223 -0.172 0.000 2.046 586 L HA -0.010 4.320 4.340 -0.017 0.000 0.208 586 L C 2.094 178.936 176.870 -0.047 0.000 1.077 586 L CA 1.580 56.312 54.840 -0.180 0.000 0.747 586 L CB -1.043 40.837 42.059 -0.299 0.000 0.896 586 L HN 0.340 nan 8.230 nan 0.000 0.432 587 Y N 0.306 120.551 120.300 -0.091 0.000 2.163 587 Y HA -0.234 4.306 4.550 -0.017 0.000 0.288 587 Y C 2.343 178.232 175.900 -0.018 0.000 1.136 587 Y CA 2.070 60.155 58.100 -0.025 0.000 1.147 587 Y CB -0.466 38.026 38.460 0.053 0.000 0.987 587 Y HN 0.329 nan 8.280 nan 0.000 0.509 588 N N -0.472 118.202 118.700 -0.043 0.000 2.166 588 N HA -0.186 4.544 4.740 -0.017 0.000 0.186 588 N C 1.864 177.271 175.510 -0.171 0.000 1.019 588 N CA 0.878 53.833 53.050 -0.158 0.000 0.856 588 N CB -0.146 38.312 38.487 -0.047 0.000 0.993 588 N HN 0.221 nan 8.380 nan 0.000 0.426 589 R N 0.906 121.333 120.500 -0.121 0.000 2.073 589 R HA 0.034 4.364 4.340 -0.017 0.000 0.234 589 R C 2.029 178.250 176.300 -0.131 0.000 1.134 589 R CA 0.970 57.004 56.100 -0.110 0.000 0.952 589 R CB -0.200 30.044 30.300 -0.093 0.000 0.850 589 R HN 0.225 nan 8.270 nan 0.000 0.433 590 I N 0.510 120.986 120.570 -0.158 0.000 2.226 590 I HA -0.284 3.876 4.170 -0.017 0.000 0.245 590 I C 1.959 177.968 176.117 -0.179 0.000 1.100 590 I CA 1.131 62.339 61.300 -0.153 0.000 1.374 590 I CB -0.160 37.753 38.000 -0.144 0.000 1.057 590 I HN 0.050 nan 8.210 nan 0.000 0.413 591 K N 0.846 121.077 120.400 -0.283 0.000 2.097 591 K HA -0.199 4.111 4.320 -0.017 0.000 0.206 591 K C 2.027 178.528 176.600 -0.164 0.000 1.049 591 K CA 1.278 57.405 56.287 -0.268 0.000 0.933 591 K CB -0.333 31.919 32.500 -0.415 0.000 0.717 591 K HN 0.289 nan 8.250 nan 0.000 0.442 592 K N 0.970 121.281 120.400 -0.148 0.000 2.025 592 K HA -0.103 4.207 4.320 -0.017 0.000 0.207 592 K C 0.060 176.614 176.600 -0.076 0.000 1.049 592 K CA 1.208 57.435 56.287 -0.101 0.000 0.933 592 K CB 0.255 32.700 32.500 -0.091 0.000 0.714 592 K HN 0.105 nan 8.250 nan 0.000 0.438 593 E N 0.259 120.413 120.200 -0.076 0.000 3.037 593 E HA 0.102 4.442 4.350 -0.017 0.000 0.220 593 E C -2.187 174.381 176.600 -0.054 0.000 1.142 593 E CA -1.538 54.830 56.400 -0.053 0.000 0.888 593 E CB 1.594 31.270 29.700 -0.041 0.000 1.329 593 E HN 0.180 nan 8.360 nan 0.000 0.409 594 P HA -0.155 nan 4.420 nan 0.000 0.220 594 P C 0.442 177.727 177.300 -0.024 0.000 1.148 594 P CA 1.026 64.097 63.100 -0.049 0.000 0.803 594 P CB 0.362 32.035 31.700 -0.044 0.000 0.782 595 N N -0.188 118.506 118.700 -0.011 0.000 2.268 595 N HA 0.031 4.761 4.740 -0.017 0.000 0.204 595 N C 0.548 176.075 175.510 0.029 0.000 1.124 595 N CA 0.134 53.190 53.050 0.010 0.000 0.838 595 N CB 0.370 38.863 38.487 0.009 0.000 0.994 595 N HN 0.318 nan 8.380 nan 0.000 0.489 596 K N 0.556 120.967 120.400 0.020 0.000 2.143 596 K HA 0.165 4.475 4.320 -0.017 0.000 0.272 596 K C -0.632 176.014 176.600 0.076 0.000 1.001 596 K CA -0.569 55.747 56.287 0.047 0.000 0.915 596 K CB 0.886 33.395 32.500 0.015 0.000 1.047 596 K HN -0.178 nan 8.250 nan 0.000 0.458 597 F N 4.971 124.908 119.950 -0.022 0.000 2.429 597 F HA 0.363 4.880 4.527 -0.017 0.000 0.348 597 F C -0.696 175.089 175.800 -0.025 0.000 1.109 597 F CA -0.099 57.889 58.000 -0.021 0.000 1.232 597 F CB 0.763 39.753 39.000 -0.016 0.000 1.157 597 F HN 0.238 nan 8.300 nan 0.000 0.564 598 V N 3.649 122.938 119.914 -1.041 0.000 2.971 598 V HA 0.488 4.598 4.120 -0.017 0.000 0.309 598 V C -0.876 174.573 176.094 -1.074 0.000 1.130 598 V CA -1.262 60.564 62.300 -0.791 0.000 0.964 598 V CB 0.883 32.477 31.823 -0.381 0.000 1.029 598 V HN 0.618 nan 8.190 nan 0.000 0.427 599 V N 4.541 124.082 119.914 -0.621 0.000 2.458 599 V HA 0.189 4.299 4.120 -0.017 0.000 0.287 599 V C -1.784 174.127 176.094 -0.304 0.000 1.009 599 V CA -0.447 61.637 62.300 -0.360 0.000 1.091 599 V CB 0.303 32.040 31.823 -0.143 0.000 0.960 599 V HN 0.895 nan 8.190 nan 0.000 0.476 600 P HA 0.254 nan 4.420 nan 0.000 0.266 600 P C -0.304 176.893 177.300 -0.172 0.000 1.195 600 P CA 0.057 63.057 63.100 -0.167 0.000 0.768 600 P CB 0.514 32.164 31.700 -0.084 0.000 0.838 601 R N 0.794 121.209 120.500 -0.141 0.000 2.651 601 R HA 0.522 4.851 4.340 -0.017 0.000 0.278 601 R C -0.989 175.262 176.300 -0.082 0.000 1.010 601 R CA -0.544 55.475 56.100 -0.136 0.000 0.896 601 R CB 1.974 32.179 30.300 -0.159 0.000 1.211 601 R HN 0.314 nan 8.270 nan 0.000 0.456 602 T N 2.449 116.972 114.554 -0.052 0.000 2.842 602 T HA 0.263 4.603 4.350 -0.017 0.000 0.308 602 T C -0.558 174.060 174.700 -0.136 0.000 1.041 602 T CA -0.438 61.603 62.100 -0.098 0.000 0.964 602 T CB 1.158 69.930 68.868 -0.161 0.000 0.972 602 T HN 0.125 nan 8.240 nan 0.000 0.460 603 V N 5.904 125.744 119.914 -0.124 0.000 2.364 603 V HA 0.438 4.548 4.120 -0.017 0.000 0.272 603 V C 0.053 176.068 176.094 -0.132 0.000 1.036 603 V CA -0.424 61.806 62.300 -0.116 0.000 0.880 603 V CB 0.816 32.587 31.823 -0.087 0.000 0.991 603 V HN 0.850 nan 8.190 nan 0.000 0.460 604 M N 6.673 126.181 119.600 -0.155 0.000 2.243 604 M HA 0.616 5.086 4.480 -0.017 0.000 0.324 604 M C -1.036 175.150 176.300 -0.191 0.000 1.031 604 M CA -0.176 55.022 55.300 -0.170 0.000 0.949 604 M CB 1.989 34.477 32.600 -0.186 0.000 1.615 604 M HN 0.424 nan 8.290 nan 0.000 0.430 605 I N 1.964 122.403 120.570 -0.219 0.000 2.466 605 I HA 0.792 4.951 4.170 -0.017 0.000 0.289 605 I C 0.038 175.811 176.117 -0.574 0.000 1.026 605 I CA -0.589 60.549 61.300 -0.270 0.000 1.078 605 I CB 2.286 40.219 38.000 -0.111 0.000 1.249 605 I HN 0.798 nan 8.210 nan 0.000 0.429 606 G N 3.028 111.458 108.800 -0.616 0.000 2.672 606 G HA2 0.864 4.814 3.960 -0.017 0.000 0.292 606 G HA3 0.864 4.814 3.960 -0.017 0.000 0.292 606 G C -0.979 173.621 174.900 -0.501 0.000 1.375 606 G CA -0.838 43.752 45.100 -0.850 0.000 0.890 606 G HN 0.979 nan 8.290 nan 0.000 0.476 607 G N -0.484 108.176 108.800 -0.234 0.000 2.329 607 G HA2 0.401 4.351 3.960 -0.017 0.000 0.308 607 G HA3 0.401 4.351 3.960 -0.017 0.000 0.308 607 G C -1.292 173.729 174.900 0.202 0.000 1.587 607 G CA -1.009 44.114 45.100 0.039 0.000 0.978 607 G HN 0.608 nan 8.290 nan 0.000 0.685 608 K N -0.199 120.310 120.400 0.183 0.000 2.098 608 K HA 0.789 5.098 4.320 -0.017 0.000 0.258 608 K C 0.253 176.966 176.600 0.188 0.000 0.973 608 K CA -0.168 56.239 56.287 0.200 0.000 0.898 608 K CB 2.013 34.530 32.500 0.027 0.000 1.057 608 K HN 0.912 nan 8.250 nan 0.000 0.447 609 A N 1.218 124.187 122.820 0.247 0.000 2.337 609 A HA 0.689 4.998 4.320 -0.017 0.000 0.329 609 A C -0.623 177.113 177.584 0.253 0.000 1.146 609 A CA -0.763 51.356 52.037 0.137 0.000 0.800 609 A CB 1.181 20.190 19.000 0.016 0.000 1.220 609 A HN 0.762 nan 8.150 nan 0.000 0.472 610 A N 3.064 126.004 122.820 0.201 0.000 2.498 610 A HA 0.503 4.812 4.320 -0.017 0.000 0.239 610 A C -1.410 176.236 177.584 0.103 0.000 1.068 610 A CA -0.852 51.305 52.037 0.201 0.000 0.766 610 A CB -0.375 18.707 19.000 0.137 0.000 1.003 610 A HN 0.589 nan 8.150 nan 0.000 0.497 611 P HA -0.140 nan 4.420 nan 0.000 0.216 611 P C 1.254 178.541 177.300 -0.022 0.000 1.153 611 P CA 2.046 65.087 63.100 -0.097 0.000 0.858 611 P CB 0.147 31.738 31.700 -0.182 0.000 0.789 612 G N -2.950 105.852 108.800 0.003 0.000 3.314 612 G HA2 -0.081 3.869 3.960 -0.017 0.000 0.238 612 G HA3 -0.081 3.869 3.960 -0.017 0.000 0.238 612 G C -0.329 174.600 174.900 0.048 0.000 1.184 612 G CA 0.000 45.108 45.100 0.013 0.000 0.806 612 G HN 0.160 nan 8.290 nan 0.000 0.536 613 Y N 1.740 121.980 120.300 -0.100 0.000 2.802 613 Y HA 0.292 4.831 4.550 -0.017 0.000 0.330 613 Y C 1.332 177.218 175.900 -0.023 0.000 1.193 613 Y CA -2.142 55.886 58.100 -0.119 0.000 1.427 613 Y CB -0.386 37.964 38.460 -0.183 0.000 1.357 613 Y HN 0.398 nan 8.280 nan 0.000 0.501 614 H N 3.279 122.467 119.070 0.195 0.000 2.289 614 H HA -0.269 4.277 4.556 -0.017 0.000 0.294 614 H C 2.005 177.364 175.328 0.051 0.000 1.095 614 H CA 3.039 59.149 56.048 0.104 0.000 1.256 614 H CB 0.196 30.015 29.762 0.094 0.000 1.359 614 H HN 0.580 nan 8.280 nan 0.000 0.487 615 M N 0.317 119.907 119.600 -0.017 0.000 2.108 615 M HA -0.078 4.392 4.480 -0.017 0.000 0.261 615 M C 2.388 178.440 176.300 -0.413 0.000 1.066 615 M CA 1.942 57.137 55.300 -0.174 0.000 1.107 615 M CB -0.788 31.851 32.600 0.064 0.000 1.356 615 M HN 0.412 nan 8.290 nan 0.000 0.406 616 A N -0.675 121.645 122.820 -0.834 0.000 1.972 616 A HA -0.180 4.130 4.320 -0.017 0.000 0.219 616 A C 2.183 179.542 177.584 -0.376 0.000 1.169 616 A CA 1.808 53.373 52.037 -0.787 0.000 0.635 616 A CB -0.614 17.659 19.000 -1.213 0.000 0.810 616 A HN 0.593 nan 8.150 nan 0.000 0.446 617 K N -1.208 119.031 120.400 -0.269 0.000 2.228 617 K HA 0.047 4.356 4.320 -0.017 0.000 0.202 617 K C 1.838 178.378 176.600 -0.100 0.000 1.051 617 K CA 0.903 57.125 56.287 -0.108 0.000 0.960 617 K CB -0.127 32.377 32.500 0.006 0.000 0.743 617 K HN 0.318 nan 8.250 nan 0.000 0.458 618 M N 0.475 119.963 119.600 -0.186 0.000 2.254 618 M HA -0.047 4.423 4.480 -0.017 0.000 0.265 618 M C 2.033 178.244 176.300 -0.148 0.000 1.066 618 M CA 1.365 56.591 55.300 -0.124 0.000 1.123 618 M CB -0.441 32.067 32.600 -0.154 0.000 1.388 618 M HN 0.127 nan 8.290 nan 0.000 0.425 619 I N -0.229 120.221 120.570 -0.200 0.000 2.315 619 I HA -0.293 3.867 4.170 -0.017 0.000 0.248 619 I C 2.233 178.206 176.117 -0.240 0.000 1.117 619 I CA 0.974 62.146 61.300 -0.212 0.000 1.404 619 I CB -0.219 37.660 38.000 -0.202 0.000 1.071 619 I HN 0.176 nan 8.210 nan 0.000 0.419 620 I N 0.625 121.038 120.570 -0.262 0.000 2.252 620 I HA -0.286 3.873 4.170 -0.017 0.000 0.245 620 I C 2.561 178.391 176.117 -0.478 0.000 1.102 620 I CA 1.166 62.222 61.300 -0.406 0.000 1.385 620 I CB -0.271 37.470 38.000 -0.431 0.000 1.064 620 I HN 0.145 nan 8.210 nan 0.000 0.414 621 K N 1.415 121.550 120.400 -0.442 0.000 2.097 621 K HA -0.190 4.120 4.320 -0.017 0.000 0.205 621 K C 1.959 178.383 176.600 -0.293 0.000 1.050 621 K CA 1.393 57.348 56.287 -0.553 0.000 0.938 621 K CB -0.460 31.463 32.500 -0.962 0.000 0.718 621 K HN 0.144 nan 8.250 nan 0.000 0.442 622 L N 0.573 121.624 121.223 -0.287 0.000 2.056 622 L HA 0.016 4.345 4.340 -0.017 0.000 0.207 622 L C 1.929 178.548 176.870 -0.418 0.000 1.078 622 L CA 1.568 56.072 54.840 -0.559 0.000 0.749 622 L CB -0.336 41.276 42.059 -0.746 0.000 0.901 622 L HN 0.261 nan 8.230 nan 0.000 0.433 623 I N -0.469 119.912 120.570 -0.315 0.000 2.179 623 I HA -0.316 3.844 4.170 -0.017 0.000 0.242 623 I C 2.438 178.451 176.117 -0.174 0.000 1.088 623 I CA 1.831 63.005 61.300 -0.209 0.000 1.357 623 I CB -0.791 37.169 38.000 -0.065 0.000 1.051 623 I HN 0.497 nan 8.210 nan 0.000 0.409 624 T N -0.974 113.449 114.554 -0.219 0.000 2.821 624 T HA -0.038 4.301 4.350 -0.017 0.000 0.267 624 T C 1.976 176.616 174.700 -0.101 0.000 1.046 624 T CA 0.876 62.884 62.100 -0.152 0.000 1.139 624 T CB -0.432 68.304 68.868 -0.221 0.000 0.871 624 T HN 0.328 nan 8.240 nan 0.000 0.454 625 A N 1.380 124.136 122.820 -0.107 0.000 1.969 625 A HA 0.171 4.481 4.320 -0.017 0.000 0.218 625 A C 2.362 179.966 177.584 0.033 0.000 1.169 625 A CA 1.121 53.166 52.037 0.013 0.000 0.635 625 A CB -0.798 18.311 19.000 0.183 0.000 0.810 625 A HN 0.591 nan 8.150 nan 0.000 0.445 626 I N -0.433 120.053 120.570 -0.140 0.000 2.252 626 I HA -0.175 3.984 4.170 -0.017 0.000 0.245 626 I C 2.645 178.724 176.117 -0.064 0.000 1.102 626 I CA 1.090 62.282 61.300 -0.180 0.000 1.385 626 I CB -0.474 37.298 38.000 -0.379 0.000 1.064 626 I HN 0.399 nan 8.210 nan 0.000 0.414 627 G N 0.147 108.906 108.800 -0.069 0.000 2.422 627 G HA2 -0.220 3.730 3.960 -0.017 0.000 0.218 627 G HA3 -0.220 3.730 3.960 -0.017 0.000 0.218 627 G C 1.248 176.143 174.900 -0.008 0.000 1.140 627 G CA 0.641 45.710 45.100 -0.052 0.000 0.775 627 G HN 0.264 nan 8.290 nan 0.000 0.545 628 D N 0.221 120.652 120.400 0.052 0.000 2.117 628 D HA -0.090 4.540 4.640 -0.017 0.000 0.197 628 D C 2.740 179.145 176.300 0.175 0.000 0.987 628 D CA 0.753 54.846 54.000 0.155 0.000 0.829 628 D CB -0.202 40.649 40.800 0.085 0.000 0.961 628 D HN 0.231 nan 8.370 nan 0.000 0.460 629 V N 0.365 120.310 119.914 0.052 0.000 2.273 629 V HA -0.156 3.954 4.120 -0.017 0.000 0.242 629 V C 2.664 178.706 176.094 -0.086 0.000 1.035 629 V CA 0.868 63.142 62.300 -0.044 0.000 1.013 629 V CB -0.488 31.252 31.823 -0.139 0.000 0.652 629 V HN 0.020 nan 8.190 nan 0.000 0.452 630 V N 1.003 120.802 119.914 -0.192 0.000 2.332 630 V HA -0.240 3.870 4.120 -0.017 0.000 0.248 630 V C 2.200 178.247 176.094 -0.078 0.000 1.055 630 V CA 2.158 64.344 62.300 -0.190 0.000 1.038 630 V CB -0.955 30.748 31.823 -0.200 0.000 0.651 630 V HN 0.565 nan 8.190 nan 0.000 0.450 631 N N -0.626 117.976 118.700 -0.163 0.000 2.453 631 N HA -0.095 4.635 4.740 -0.017 0.000 0.183 631 N C 1.355 176.577 175.510 -0.481 0.000 1.041 631 N CA 0.948 53.806 53.050 -0.320 0.000 0.900 631 N CB -0.258 37.965 38.487 -0.439 0.000 0.961 631 N HN 0.613 nan 8.380 nan 0.000 0.443 632 H N -1.280 117.797 119.070 0.013 0.000 2.784 632 H HA 0.146 4.692 4.556 -0.017 0.000 0.273 632 H C -0.403 174.946 175.328 0.036 0.000 1.112 632 H CA -0.328 55.730 56.048 0.018 0.000 1.162 632 H CB 0.693 30.456 29.762 0.001 0.000 1.586 632 H HN 0.079 nan 8.280 nan 0.000 0.548 633 D N 3.315 123.789 120.400 0.123 0.000 2.336 633 D HA 0.044 4.674 4.640 -0.017 0.000 0.249 633 D C -1.353 175.010 176.300 0.105 0.000 1.213 633 D CA -1.917 52.173 54.000 0.149 0.000 0.870 633 D CB 2.008 42.973 40.800 0.275 0.000 1.076 633 D HN 0.100 nan 8.370 nan 0.000 0.483 634 P HA -0.163 nan 4.420 nan 0.000 0.218 634 P C 1.465 178.793 177.300 0.045 0.000 1.148 634 P CA 0.644 63.779 63.100 0.058 0.000 0.822 634 P CB 0.148 31.878 31.700 0.050 0.000 0.784 635 V N -1.866 118.074 119.914 0.044 0.000 3.041 635 V HA -0.070 4.040 4.120 -0.017 0.000 0.260 635 V C 2.054 178.157 176.094 0.016 0.000 1.105 635 V CA 1.171 63.483 62.300 0.020 0.000 1.125 635 V CB -0.956 30.868 31.823 0.001 0.000 0.730 635 V HN -0.108 nan 8.190 nan 0.000 0.479 636 V N 1.374 121.314 119.914 0.045 0.000 2.346 636 V HA 0.270 4.380 4.120 -0.017 0.000 0.244 636 V C 2.166 178.274 176.094 0.023 0.000 1.037 636 V CA 1.606 63.934 62.300 0.046 0.000 1.029 636 V CB -1.241 30.659 31.823 0.128 0.000 0.663 636 V HN 0.990 nan 8.190 nan 0.000 0.454 637 G N 1.629 110.447 108.800 0.030 0.000 2.583 637 G HA2 -0.386 3.564 3.960 -0.017 0.000 0.292 637 G HA3 -0.386 3.564 3.960 -0.017 0.000 0.292 637 G C 0.570 175.475 174.900 0.009 0.000 1.203 637 G CA 0.457 45.569 45.100 0.021 0.000 0.987 637 G HN 0.603 nan 8.290 nan 0.000 0.554 638 D N 0.728 121.132 120.400 0.007 0.000 2.340 638 D HA 0.066 4.696 4.640 -0.017 0.000 0.220 638 D C 2.030 178.318 176.300 -0.021 0.000 1.039 638 D CA 0.445 54.444 54.000 -0.001 0.000 0.866 638 D CB -0.038 40.770 40.800 0.013 0.000 0.913 638 D HN 0.560 nan 8.370 nan 0.000 0.523 639 R N -0.494 119.986 120.500 -0.033 0.000 2.193 639 R HA 0.214 4.544 4.340 -0.017 0.000 0.213 639 R C 0.153 176.407 176.300 -0.076 0.000 1.055 639 R CA 0.285 56.343 56.100 -0.071 0.000 0.995 639 R CB 0.172 30.415 30.300 -0.094 0.000 0.893 639 R HN 0.101 nan 8.270 nan 0.000 0.459 640 L N -0.034 121.161 121.223 -0.046 0.000 2.543 640 L HA 0.439 4.769 4.340 -0.017 0.000 0.265 640 L C -1.692 175.151 176.870 -0.045 0.000 0.945 640 L CA -0.744 54.067 54.840 -0.048 0.000 0.869 640 L CB 1.948 43.994 42.059 -0.021 0.000 1.294 640 L HN -0.199 nan 8.230 nan 0.000 0.405 641 R N 2.971 123.432 120.500 -0.065 0.000 2.538 641 R HA 0.843 5.172 4.340 -0.017 0.000 0.292 641 R C -1.841 174.406 176.300 -0.088 0.000 1.008 641 R CA -0.482 55.571 56.100 -0.078 0.000 0.896 641 R CB 2.186 32.439 30.300 -0.079 0.000 1.187 641 R HN 0.431 nan 8.270 nan 0.000 0.440 642 V N 6.130 125.993 119.914 -0.086 0.000 2.357 642 V HA 0.515 4.625 4.120 -0.017 0.000 0.284 642 V C -0.335 175.723 176.094 -0.060 0.000 1.018 642 V CA -0.659 61.593 62.300 -0.080 0.000 0.841 642 V CB 1.460 33.233 31.823 -0.083 0.000 0.991 642 V HN 0.594 nan 8.190 nan 0.000 0.437 643 I N 4.806 125.339 120.570 -0.060 0.000 2.465 643 I HA 0.423 4.583 4.170 -0.017 0.000 0.291 643 I C -0.745 175.368 176.117 -0.006 0.000 1.014 643 I CA -0.509 60.772 61.300 -0.031 0.000 1.093 643 I CB 1.995 39.953 38.000 -0.070 0.000 1.267 643 I HN 0.554 nan 8.210 nan 0.000 0.431 644 F N 6.802 126.709 119.950 -0.072 0.000 2.361 644 F HA 0.458 4.975 4.527 -0.017 0.000 0.364 644 F C -0.329 175.438 175.800 -0.055 0.000 1.120 644 F CA -0.550 57.409 58.000 -0.069 0.000 1.102 644 F CB 0.765 39.728 39.000 -0.063 0.000 1.183 644 F HN 0.249 nan 8.300 nan 0.000 0.476 645 L N 6.744 127.609 121.223 -0.597 0.000 2.342 645 L HA 0.206 4.535 4.340 -0.017 0.000 0.285 645 L C 0.364 176.999 176.870 -0.391 0.000 1.095 645 L CA -0.300 54.313 54.840 -0.379 0.000 0.843 645 L CB 0.225 42.130 42.059 -0.256 0.000 1.201 645 L HN 0.627 nan 8.230 nan 0.000 0.445 646 E N 4.060 124.207 120.200 -0.088 0.000 2.366 646 E HA 0.024 4.364 4.350 -0.017 0.000 0.266 646 E C 0.164 176.831 176.600 0.112 0.000 1.051 646 E CA -0.704 55.788 56.400 0.152 0.000 0.884 646 E CB 0.649 30.527 29.700 0.298 0.000 1.006 646 E HN 0.544 nan 8.360 nan 0.000 0.417 647 N N 1.289 120.105 118.700 0.193 0.000 2.738 647 N HA -0.261 4.469 4.740 -0.017 0.000 0.249 647 N C -1.510 174.073 175.510 0.122 0.000 1.047 647 N CA 0.599 53.745 53.050 0.159 0.000 0.707 647 N CB -1.853 36.743 38.487 0.181 0.000 0.937 647 N HN 0.652 nan 8.380 nan 0.000 0.545 648 Y N 1.380 121.672 120.300 -0.013 0.000 2.632 648 Y HA 0.118 4.658 4.550 -0.017 0.000 0.329 648 Y C 1.171 177.077 175.900 0.010 0.000 1.174 648 Y CA 0.402 58.480 58.100 -0.035 0.000 1.469 648 Y CB 0.348 38.760 38.460 -0.081 0.000 1.242 648 Y HN 0.348 nan 8.280 nan 0.000 0.540 649 R N 2.509 122.667 120.500 -0.570 0.000 2.762 649 R HA 0.360 4.689 4.340 -0.017 0.000 0.271 649 R C -0.407 175.550 176.300 -0.573 0.000 1.038 649 R CA -0.590 55.255 56.100 -0.426 0.000 0.906 649 R CB 0.443 30.695 30.300 -0.079 0.000 1.259 649 R HN 0.443 nan 8.270 nan 0.000 0.457 650 V N 1.168 120.771 119.914 -0.519 0.000 2.282 650 V HA -0.304 3.806 4.120 -0.017 0.000 0.249 650 V C 2.583 178.545 176.094 -0.221 0.000 1.057 650 V CA 2.933 64.992 62.300 -0.400 0.000 1.032 650 V CB -0.844 30.688 31.823 -0.485 0.000 0.645 650 V HN 0.926 nan 8.190 nan 0.000 0.447 651 S N -0.191 115.401 115.700 -0.180 0.000 2.423 651 S HA -0.136 4.324 4.470 -0.017 0.000 0.231 651 S C 1.880 176.413 174.600 -0.111 0.000 1.014 651 S CA 1.506 59.627 58.200 -0.131 0.000 0.965 651 S CB -0.411 62.743 63.200 -0.077 0.000 0.785 651 S HN 0.403 nan 8.310 nan 0.000 0.495 652 L N 1.831 122.987 121.223 -0.110 0.000 2.131 652 L HA 0.392 4.721 4.340 -0.017 0.000 0.206 652 L C 2.619 179.478 176.870 -0.019 0.000 1.087 652 L CA 1.306 56.116 54.840 -0.051 0.000 0.767 652 L CB -1.247 40.824 42.059 0.020 0.000 0.917 652 L HN 0.330 nan 8.230 nan 0.000 0.441 653 A N -0.676 122.107 122.820 -0.061 0.000 1.933 653 A HA -0.228 4.082 4.320 -0.017 0.000 0.218 653 A C 2.141 179.769 177.584 0.074 0.000 1.175 653 A CA 1.797 53.877 52.037 0.071 0.000 0.628 653 A CB -0.596 18.428 19.000 0.039 0.000 0.814 653 A HN 0.586 nan 8.150 nan 0.000 0.444 654 E N -0.467 119.762 120.200 0.048 0.000 2.265 654 E HA -0.163 4.177 4.350 -0.017 0.000 0.196 654 E C 1.880 178.445 176.600 -0.058 0.000 0.996 654 E CA 1.199 57.592 56.400 -0.010 0.000 0.832 654 E CB -0.040 29.564 29.700 -0.160 0.000 0.756 654 E HN 0.633 nan 8.360 nan 0.000 0.491 655 K N -0.053 120.297 120.400 -0.082 0.000 2.141 655 K HA 0.023 4.332 4.320 -0.017 0.000 0.202 655 K C 2.140 178.617 176.600 -0.204 0.000 1.045 655 K CA 0.415 56.654 56.287 -0.080 0.000 0.971 655 K CB 0.016 32.452 32.500 -0.106 0.000 0.795 655 K HN -0.055 nan 8.250 nan 0.000 0.459 656 V N 1.910 121.605 119.914 -0.365 0.000 2.488 656 V HA -0.141 3.969 4.120 -0.017 0.000 0.246 656 V C 1.921 177.745 176.094 -0.450 0.000 1.046 656 V CA 1.259 63.071 62.300 -0.813 0.000 1.053 656 V CB -0.165 31.284 31.823 -0.623 0.000 0.679 656 V HN 0.252 nan 8.190 nan 0.000 0.458 657 I N 0.773 121.144 120.570 -0.331 0.000 2.163 657 I HA -0.152 4.008 4.170 -0.017 0.000 0.243 657 I C -0.267 175.713 176.117 -0.227 0.000 1.085 657 I CA 1.795 62.825 61.300 -0.450 0.000 1.347 657 I CB -1.512 36.106 38.000 -0.636 0.000 1.044 657 I HN 0.385 nan 8.210 nan 0.000 0.408 658 P HA -0.094 nan 4.420 nan 0.000 0.225 658 P C 0.814 178.105 177.300 -0.015 0.000 1.148 658 P CA 1.099 64.168 63.100 -0.052 0.000 0.779 658 P CB 0.032 31.714 31.700 -0.029 0.000 0.780 659 A N -1.231 121.564 122.820 -0.041 0.000 2.308 659 A HA 0.516 4.826 4.320 -0.017 0.000 0.217 659 A C 1.118 178.805 177.584 0.171 0.000 1.216 659 A CA 0.011 52.081 52.037 0.055 0.000 0.864 659 A CB -0.574 18.478 19.000 0.086 0.000 0.902 659 A HN 0.193 nan 8.150 nan 0.000 0.499 660 A N -0.253 122.659 122.820 0.153 0.000 2.340 660 A HA 0.500 4.810 4.320 -0.017 0.000 0.268 660 A C 0.345 178.075 177.584 0.242 0.000 1.100 660 A CA -0.185 52.009 52.037 0.262 0.000 0.803 660 A CB 0.396 19.645 19.000 0.415 0.000 1.043 660 A HN 0.249 nan 8.150 nan 0.000 0.488 661 D N 0.037 120.582 120.400 0.243 0.000 2.525 661 D HA 0.129 4.759 4.640 -0.017 0.000 0.248 661 D C -0.357 176.156 176.300 0.355 0.000 1.000 661 D CA 0.795 54.992 54.000 0.327 0.000 0.923 661 D CB 0.311 41.223 40.800 0.185 0.000 1.101 661 D HN 0.338 nan 8.370 nan 0.000 0.493 662 L N 0.674 121.989 121.223 0.154 0.000 2.381 662 L HA 0.356 4.686 4.340 -0.017 0.000 0.274 662 L C -0.759 175.991 176.870 -0.200 0.000 0.988 662 L CA -0.530 54.321 54.840 0.018 0.000 0.824 662 L CB 2.069 44.118 42.059 -0.017 0.000 1.263 662 L HN -0.264 nan 8.230 nan 0.000 0.410 663 S N 4.237 119.724 115.700 -0.354 0.000 2.429 663 S HA 0.451 4.911 4.470 -0.017 0.000 0.302 663 S C -0.587 173.724 174.600 -0.481 0.000 1.115 663 S CA -0.627 57.111 58.200 -0.770 0.000 1.095 663 S CB 0.430 63.093 63.200 -0.894 0.000 0.987 663 S HN 0.626 nan 8.310 nan 0.000 0.474 664 E N 4.227 124.159 120.200 -0.447 0.000 2.044 664 E HA 0.196 4.536 4.350 -0.017 0.000 0.282 664 E C -0.529 175.951 176.600 -0.200 0.000 1.031 664 E CA -0.411 55.852 56.400 -0.228 0.000 0.824 664 E CB 0.943 30.545 29.700 -0.164 0.000 1.076 664 E HN 0.616 nan 8.360 nan 0.000 0.395 665 Q N 2.840 122.574 119.800 -0.110 0.000 2.965 665 Q HA 0.255 4.585 4.340 -0.017 0.000 0.288 665 Q C 0.695 176.678 176.000 -0.029 0.000 0.974 665 Q CA -0.139 55.616 55.803 -0.080 0.000 0.849 665 Q CB 0.218 28.920 28.738 -0.060 0.000 1.280 665 Q HN 0.618 nan 8.270 nan 0.000 0.441 666 I N -1.590 118.952 120.570 -0.045 0.000 3.805 666 I HA 0.251 4.411 4.170 -0.017 0.000 0.337 666 I C 0.450 176.515 176.117 -0.087 0.000 1.539 666 I CA -0.613 60.670 61.300 -0.029 0.000 1.176 666 I CB 0.212 38.196 38.000 -0.027 0.000 1.248 666 I HN 0.001 nan 8.210 nan 0.000 0.437 667 S N 0.456 116.105 115.700 -0.085 0.000 2.579 667 S HA 0.188 4.648 4.470 -0.017 0.000 0.275 667 S C 0.550 175.132 174.600 -0.030 0.000 1.345 667 S CA -0.282 57.886 58.200 -0.054 0.000 1.031 667 S CB 0.480 63.696 63.200 0.027 0.000 0.892 667 S HN 0.391 nan 8.310 nan 0.000 0.529 668 T N 2.731 117.303 114.554 0.029 0.000 2.902 668 T HA 0.393 4.732 4.350 -0.017 0.000 0.301 668 T C 0.742 175.450 174.700 0.014 0.000 1.012 668 T CA 0.288 62.408 62.100 0.033 0.000 1.151 668 T CB 0.049 69.003 68.868 0.142 0.000 0.946 668 T HN 1.026 nan 8.240 nan 0.000 0.542 669 A N 2.641 125.437 122.820 -0.039 0.000 2.580 669 A HA 0.444 4.754 4.320 -0.017 0.000 0.244 669 A C 1.642 179.218 177.584 -0.014 0.000 1.045 669 A CA 0.322 52.333 52.037 -0.043 0.000 0.761 669 A CB -0.920 18.042 19.000 -0.064 0.000 0.962 669 A HN 1.694 nan 8.150 nan 0.000 0.512 670 G N 1.421 110.214 108.800 -0.012 0.000 2.175 670 G HA2 -0.245 3.704 3.960 -0.017 0.000 0.244 670 G HA3 -0.245 3.704 3.960 -0.017 0.000 0.244 670 G C 0.878 175.770 174.900 -0.014 0.000 0.982 670 G CA 1.157 46.252 45.100 -0.009 0.000 0.641 670 G HN 2.024 nan 8.290 nan 0.000 0.527 671 T N -2.563 111.985 114.554 -0.010 0.000 3.018 671 T HA 0.411 4.751 4.350 -0.017 0.000 0.246 671 T C 0.732 175.312 174.700 -0.200 0.000 1.026 671 T CA 1.062 63.102 62.100 -0.100 0.000 1.081 671 T CB 0.574 69.439 68.868 -0.006 0.000 0.970 671 T HN 0.273 nan 8.240 nan 0.000 0.475 672 E N 1.471 121.670 120.200 -0.002 0.000 2.052 672 E HA 0.669 5.009 4.350 -0.017 0.000 0.283 672 E C 1.161 177.719 176.600 -0.069 0.000 1.071 672 E CA 0.064 56.495 56.400 0.052 0.000 0.851 672 E CB 0.832 30.610 29.700 0.130 0.000 1.066 672 E HN 0.335 nan 8.360 nan 0.000 0.396 673 A N 3.441 126.144 122.820 -0.196 0.000 1.903 673 A HA -0.230 4.080 4.320 -0.017 0.000 0.219 673 A C 1.964 179.425 177.584 -0.204 0.000 1.191 673 A CA 2.361 54.141 52.037 -0.428 0.000 0.638 673 A CB -0.295 18.242 19.000 -0.772 0.000 0.823 673 A HN 0.617 nan 8.150 nan 0.000 0.451 674 S N -4.071 111.572 115.700 -0.094 0.000 4.193 674 S HA 0.456 4.916 4.470 -0.017 0.000 0.211 674 S C 0.669 175.269 174.600 0.000 0.000 1.162 674 S CA 1.390 59.582 58.200 -0.013 0.000 1.039 674 S CB -0.095 63.122 63.200 0.028 0.000 1.371 674 S HN 2.325 nan 8.310 nan 0.000 0.550 675 G N 0.205 109.009 108.800 0.008 0.000 2.692 675 G HA2 0.011 3.961 3.960 -0.017 0.000 0.686 675 G HA3 0.011 3.961 3.960 -0.017 0.000 0.686 675 G C 0.218 175.110 174.900 -0.014 0.000 1.243 675 G CA 0.440 45.541 45.100 0.002 0.000 0.782 675 G HN 1.380 nan 8.290 nan 0.000 0.625 676 T N -2.271 112.259 114.554 -0.039 0.000 3.051 676 T HA 0.371 4.711 4.350 -0.017 0.000 0.254 676 T C 2.333 176.942 174.700 -0.152 0.000 0.916 676 T CA 1.260 63.308 62.100 -0.086 0.000 0.894 676 T CB 0.268 69.077 68.868 -0.098 0.000 1.251 676 T HN 1.904 nan 8.240 nan 0.000 0.517 677 G N 3.282 112.020 108.800 -0.104 0.000 2.422 677 G HA2 -0.245 3.704 3.960 -0.017 0.000 0.218 677 G HA3 -0.245 3.704 3.960 -0.017 0.000 0.218 677 G C 1.550 176.507 174.900 0.094 0.000 1.146 677 G CA 1.279 46.335 45.100 -0.072 0.000 0.769 677 G HN 0.679 nan 8.290 nan 0.000 0.547 678 N N 1.115 119.847 118.700 0.053 0.000 2.104 678 N HA -0.163 4.567 4.740 -0.017 0.000 0.190 678 N C 1.999 177.516 175.510 0.011 0.000 1.024 678 N CA 1.826 54.906 53.050 0.049 0.000 0.853 678 N CB -0.704 37.766 38.487 -0.028 0.000 1.008 678 N HN 0.406 nan 8.380 nan 0.000 0.424 679 M N 0.138 119.682 119.600 -0.094 0.000 2.200 679 M HA 0.033 4.503 4.480 -0.017 0.000 0.265 679 M C 1.994 178.247 176.300 -0.078 0.000 1.066 679 M CA 1.310 56.534 55.300 -0.126 0.000 1.127 679 M CB -0.151 32.384 32.600 -0.108 0.000 1.379 679 M HN 0.087 nan 8.290 nan 0.000 0.420 680 K N 0.006 120.294 120.400 -0.186 0.000 2.057 680 K HA -0.120 4.190 4.320 -0.017 0.000 0.207 680 K C 1.696 178.181 176.600 -0.192 0.000 1.049 680 K CA 1.412 57.519 56.287 -0.300 0.000 0.931 680 K CB -0.256 31.840 32.500 -0.673 0.000 0.714 680 K HN 0.168 nan 8.250 nan 0.000 0.440 681 F N 0.942 120.819 119.950 -0.122 0.000 2.186 681 F HA -0.093 4.423 4.527 -0.018 0.000 0.299 681 F C 2.525 178.294 175.800 -0.053 0.000 1.090 681 F CA 1.093 59.044 58.000 -0.080 0.000 1.307 681 F CB -0.246 38.695 39.000 -0.098 0.000 1.019 681 F HN -0.007 nan 8.300 nan 0.000 0.489 682 M N -0.461 119.218 119.600 0.132 0.000 2.117 682 M HA -0.186 4.284 4.480 -0.017 0.000 0.262 682 M C 2.093 178.440 176.300 0.078 0.000 1.065 682 M CA 1.524 56.872 55.300 0.081 0.000 1.114 682 M CB -0.219 32.417 32.600 0.060 0.000 1.361 682 M HN 0.253 nan 8.290 nan 0.000 0.408 683 L N 0.678 121.945 121.223 0.073 0.000 2.275 683 L HA -0.083 4.247 4.340 -0.017 0.000 0.215 683 L C 0.712 177.620 176.870 0.063 0.000 1.119 683 L CA 1.816 56.705 54.840 0.082 0.000 0.790 683 L CB -0.640 41.478 42.059 0.098 0.000 0.919 683 L HN 0.326 nan 8.230 nan 0.000 0.443 684 N N -0.274 118.454 118.700 0.047 0.000 2.251 684 N HA 0.355 5.085 4.740 -0.017 0.000 0.217 684 N C 0.615 176.152 175.510 0.046 0.000 1.124 684 N CA 0.624 53.696 53.050 0.035 0.000 0.843 684 N CB 0.562 39.049 38.487 -0.001 0.000 1.024 684 N HN 0.302 nan 8.380 nan 0.000 0.501 685 G N -0.321 108.511 108.800 0.052 0.000 2.171 685 G HA2 -0.146 3.803 3.960 -0.017 0.000 0.238 685 G HA3 -0.146 3.803 3.960 -0.017 0.000 0.238 685 G C -0.100 174.859 174.900 0.098 0.000 1.039 685 G CA 0.098 45.229 45.100 0.052 0.000 0.759 685 G HN 0.528 nan 8.290 nan 0.000 0.501 686 A N -0.418 122.468 122.820 0.110 0.000 2.340 686 A HA 0.896 5.205 4.320 -0.017 0.000 0.331 686 A C 0.228 177.810 177.584 -0.003 0.000 1.140 686 A CA -0.689 51.432 52.037 0.141 0.000 0.801 686 A CB 1.221 20.371 19.000 0.251 0.000 1.234 686 A HN 0.708 nan 8.150 nan 0.000 0.469 687 L N 0.872 122.053 121.223 -0.070 0.000 2.379 687 L HA 0.472 4.802 4.340 -0.017 0.000 0.269 687 L C 0.148 176.879 176.870 -0.232 0.000 1.084 687 L CA -0.399 54.299 54.840 -0.236 0.000 0.802 687 L CB 1.713 43.532 42.059 -0.399 0.000 1.175 687 L HN 0.708 nan 8.230 nan 0.000 0.448 688 T N 2.936 117.221 114.554 -0.449 0.000 2.794 688 T HA 0.477 4.817 4.350 -0.017 0.000 0.280 688 T C -0.427 174.086 174.700 -0.311 0.000 0.987 688 T CA -0.245 61.547 62.100 -0.514 0.000 0.993 688 T CB 1.529 69.851 68.868 -0.910 0.000 0.939 688 T HN 0.369 nan 8.240 nan 0.000 0.449 689 I N 2.811 123.312 120.570 -0.115 0.000 2.355 689 I HA 0.729 4.889 4.170 -0.017 0.000 0.288 689 I C 0.028 176.265 176.117 0.200 0.000 0.999 689 I CA 0.038 61.395 61.300 0.095 0.000 1.163 689 I CB 0.351 38.352 38.000 0.001 0.000 1.316 689 I HN 0.789 nan 8.210 nan 0.000 0.454 690 G N 3.987 112.982 108.800 0.325 0.000 2.600 690 G HA2 0.485 4.435 3.960 -0.017 0.000 0.293 690 G HA3 0.485 4.435 3.960 -0.017 0.000 0.293 690 G C -0.959 173.883 174.900 -0.098 0.000 1.408 690 G CA -0.316 44.907 45.100 0.205 0.000 0.782 690 G HN 0.567 nan 8.290 nan 0.000 0.482 691 T N -1.671 112.705 114.554 -0.296 0.000 2.881 691 T HA 0.548 4.887 4.350 -0.017 0.000 0.278 691 T C 0.637 175.234 174.700 -0.171 0.000 0.982 691 T CA -0.727 61.119 62.100 -0.423 0.000 0.989 691 T CB 1.265 69.884 68.868 -0.414 0.000 1.058 691 T HN 0.254 nan 8.240 nan 0.000 0.529 692 M N 2.745 122.252 119.600 -0.155 0.000 3.436 692 M HA 0.324 4.793 4.480 -0.017 0.000 0.240 692 M C -0.541 175.714 176.300 -0.076 0.000 1.469 692 M CA -0.050 55.194 55.300 -0.092 0.000 1.622 692 M CB -1.677 30.874 32.600 -0.081 0.000 1.098 692 M HN 0.722 nan 8.290 nan 0.000 0.568 693 D N -0.066 120.296 120.400 -0.062 0.000 2.671 693 D HA 0.674 5.304 4.640 -0.017 0.000 0.232 693 D C 0.763 177.049 176.300 -0.022 0.000 1.114 693 D CA 0.683 54.659 54.000 -0.039 0.000 0.858 693 D CB 1.743 42.520 40.800 -0.038 0.000 1.544 693 D HN 0.594 nan 8.370 nan 0.000 0.471 694 G N 1.757 110.552 108.800 -0.008 0.000 2.627 694 G HA2 -0.280 3.670 3.960 -0.017 0.000 0.312 694 G HA3 -0.280 3.670 3.960 -0.017 0.000 0.312 694 G C 1.059 175.963 174.900 0.005 0.000 1.299 694 G CA 1.183 46.285 45.100 0.002 0.000 0.989 694 G HN 1.048 nan 8.290 nan 0.000 0.547 695 A N -0.344 122.478 122.820 0.004 0.000 2.209 695 A HA 0.093 4.403 4.320 -0.017 0.000 0.212 695 A C 2.108 179.650 177.584 -0.070 0.000 1.158 695 A CA 1.880 53.919 52.037 0.003 0.000 0.742 695 A CB -0.439 18.561 19.000 -0.000 0.000 0.790 695 A HN 0.601 nan 8.150 nan 0.000 0.472 696 N N 0.393 119.057 118.700 -0.060 0.000 2.149 696 N HA -0.140 4.590 4.740 -0.017 0.000 0.188 696 N C 1.590 176.996 175.510 -0.173 0.000 1.019 696 N CA 1.523 54.535 53.050 -0.063 0.000 0.857 696 N CB -0.547 37.953 38.487 0.022 0.000 0.997 696 N HN 0.270 nan 8.380 nan 0.000 0.426 697 V N 1.257 121.106 119.914 -0.108 0.000 2.287 697 V HA -0.220 3.890 4.120 -0.017 0.000 0.248 697 V C 1.962 177.985 176.094 -0.118 0.000 1.053 697 V CA 1.690 63.920 62.300 -0.116 0.000 1.027 697 V CB -0.453 31.335 31.823 -0.059 0.000 0.646 697 V HN 0.362 nan 8.190 nan 0.000 0.447 698 E N -0.734 119.449 120.200 -0.029 0.000 2.152 698 E HA -0.134 4.206 4.350 -0.017 0.000 0.192 698 E C 2.212 178.905 176.600 0.155 0.000 0.983 698 E CA 1.025 57.478 56.400 0.089 0.000 0.818 698 E CB -0.154 29.686 29.700 0.234 0.000 0.758 698 E HN 0.554 nan 8.360 nan 0.000 0.467 699 M N 0.274 119.833 119.600 -0.069 0.000 2.132 699 M HA -0.110 4.360 4.480 -0.017 0.000 0.263 699 M C 2.464 178.479 176.300 -0.474 0.000 1.065 699 M CA 1.420 56.588 55.300 -0.220 0.000 1.122 699 M CB -0.117 32.249 32.600 -0.389 0.000 1.365 699 M HN 0.123 nan 8.290 nan 0.000 0.411 700 A N -0.253 122.013 122.820 -0.923 0.000 1.930 700 A HA -0.166 4.144 4.320 -0.017 0.000 0.217 700 A C 2.034 179.408 177.584 -0.350 0.000 1.175 700 A CA 1.496 52.967 52.037 -0.944 0.000 0.627 700 A CB -0.660 17.843 19.000 -0.829 0.000 0.815 700 A HN 0.479 nan 8.150 nan 0.000 0.443 701 E N -0.413 119.654 120.200 -0.222 0.000 2.058 701 E HA -0.196 4.144 4.350 -0.017 0.000 0.194 701 E C 1.896 178.462 176.600 -0.056 0.000 0.997 701 E CA 1.315 57.653 56.400 -0.102 0.000 0.801 701 E CB -0.053 29.612 29.700 -0.057 0.000 0.746 701 E HN 0.566 nan 8.360 nan 0.000 0.450 702 E N -0.280 119.914 120.200 -0.009 0.000 2.107 702 E HA -0.101 4.239 4.350 -0.017 0.000 0.191 702 E C 1.720 178.339 176.600 0.031 0.000 0.982 702 E CA 0.877 57.298 56.400 0.035 0.000 0.809 702 E CB -0.038 29.745 29.700 0.137 0.000 0.756 702 E HN 0.208 nan 8.360 nan 0.000 0.459 703 A N 0.395 123.227 122.820 0.020 0.000 2.132 703 A HA 0.372 4.682 4.320 -0.017 0.000 0.213 703 A C 1.008 178.599 177.584 0.012 0.000 1.154 703 A CA 0.946 53.011 52.037 0.047 0.000 0.753 703 A CB 0.133 19.213 19.000 0.133 0.000 0.826 703 A HN 0.221 nan 8.150 nan 0.000 0.469 704 G N -0.181 108.599 108.800 -0.034 0.000 3.209 704 G HA2 -0.093 3.857 3.960 -0.017 0.000 0.686 704 G HA3 -0.093 3.857 3.960 -0.017 0.000 0.686 704 G C -0.065 174.809 174.900 -0.044 0.000 1.065 704 G CA -0.048 45.029 45.100 -0.037 0.000 0.812 704 G HN 0.294 nan 8.290 nan 0.000 0.573 705 E N 0.755 120.918 120.200 -0.061 0.000 2.331 705 E HA -0.183 4.157 4.350 -0.017 0.000 0.199 705 E C 2.170 178.754 176.600 -0.027 0.000 1.008 705 E CA 1.247 57.619 56.400 -0.047 0.000 0.843 705 E CB 0.140 29.811 29.700 -0.049 0.000 0.761 705 E HN 0.805 nan 8.360 nan 0.000 0.507 706 E N 0.731 120.903 120.200 -0.046 0.000 2.481 706 E HA -0.085 4.255 4.350 -0.017 0.000 0.195 706 E C 0.781 177.298 176.600 -0.140 0.000 1.047 706 E CA 0.472 56.822 56.400 -0.082 0.000 0.867 706 E CB 0.042 29.706 29.700 -0.060 0.000 0.858 706 E HN 0.159 nan 8.360 nan 0.000 0.513 707 N N -0.128 118.521 118.700 -0.086 0.000 2.238 707 N HA 0.188 4.918 4.740 -0.017 0.000 0.222 707 N C -1.205 174.252 175.510 -0.088 0.000 1.133 707 N CA -0.018 52.960 53.050 -0.120 0.000 0.854 707 N CB 0.411 38.877 38.487 -0.034 0.000 1.041 707 N HN 0.061 nan 8.380 nan 0.000 0.510 708 F N -0.456 119.293 119.950 -0.334 0.000 2.576 708 F HA 0.412 4.929 4.527 -0.018 0.000 0.313 708 F C -0.655 174.931 175.800 -0.356 0.000 1.078 708 F CA -1.012 56.830 58.000 -0.263 0.000 0.921 708 F CB 1.668 40.595 39.000 -0.120 0.000 1.232 708 F HN -0.205 nan 8.300 nan 0.000 0.459 709 F N 5.210 125.138 119.950 -0.036 0.000 2.329 709 F HA 0.424 4.941 4.527 -0.017 0.000 0.362 709 F C -0.219 175.690 175.800 0.183 0.000 1.113 709 F CA -0.363 57.661 58.000 0.039 0.000 1.212 709 F CB 0.211 39.181 39.000 -0.051 0.000 1.509 709 F HN 0.080 nan 8.300 nan 0.000 0.546 710 I N 3.794 124.561 120.570 0.328 0.000 2.428 710 I HA 0.447 4.607 4.170 -0.017 0.000 0.296 710 I C -0.283 176.029 176.117 0.326 0.000 0.985 710 I CA -0.660 60.811 61.300 0.285 0.000 1.260 710 I CB 1.113 39.210 38.000 0.162 0.000 1.389 710 I HN 0.374 nan 8.210 nan 0.000 0.484 711 F N 3.004 123.019 119.950 0.107 0.000 2.779 711 F HA 0.878 5.394 4.527 -0.018 0.000 0.316 711 F C -0.030 175.809 175.800 0.066 0.000 1.164 711 F CA -0.493 57.560 58.000 0.088 0.000 0.924 711 F CB 0.645 39.709 39.000 0.107 0.000 1.348 711 F HN 0.794 nan 8.300 nan 0.000 0.467 712 G N 0.955 109.823 108.800 0.114 0.000 2.796 712 G HA2 -0.115 3.835 3.960 -0.017 0.000 0.226 712 G HA3 -0.115 3.835 3.960 -0.017 0.000 0.226 712 G C -0.767 174.097 174.900 -0.060 0.000 1.381 712 G CA -0.487 44.600 45.100 -0.023 0.000 0.867 712 G HN 0.964 nan 8.290 nan 0.000 0.552 713 M N 0.051 119.627 119.600 -0.040 0.000 2.252 713 M HA 0.358 4.827 4.480 -0.017 0.000 0.333 713 M C 1.048 177.310 176.300 -0.063 0.000 1.111 713 M CA 0.209 55.493 55.300 -0.026 0.000 1.140 713 M CB 0.503 33.096 32.600 -0.011 0.000 1.538 713 M HN 0.568 nan 8.290 nan 0.000 0.448 714 R N 0.816 121.293 120.500 -0.038 0.000 2.608 714 R HA 0.323 4.653 4.340 -0.017 0.000 0.255 714 R C 0.962 177.241 176.300 -0.035 0.000 1.086 714 R CA -0.498 55.575 56.100 -0.044 0.000 1.125 714 R CB 0.480 30.762 30.300 -0.030 0.000 1.193 714 R HN 0.571 nan 8.270 nan 0.000 0.553 715 V N 1.359 121.252 119.914 -0.035 0.000 2.324 715 V HA -0.266 3.844 4.120 -0.017 0.000 0.250 715 V C 1.409 177.490 176.094 -0.022 0.000 1.060 715 V CA 2.160 64.442 62.300 -0.030 0.000 1.042 715 V CB -0.507 31.298 31.823 -0.031 0.000 0.650 715 V HN 0.677 nan 8.190 nan 0.000 0.450 716 E N 0.070 120.259 120.200 -0.018 0.000 2.153 716 E HA -0.181 4.159 4.350 -0.017 0.000 0.194 716 E C 1.865 178.465 176.600 -0.001 0.000 0.988 716 E CA 1.318 57.712 56.400 -0.010 0.000 0.811 716 E CB -0.339 29.356 29.700 -0.009 0.000 0.746 716 E HN 0.620 nan 8.360 nan 0.000 0.466 717 D N 0.119 120.520 120.400 0.002 0.000 2.183 717 D HA -0.074 4.556 4.640 -0.017 0.000 0.203 717 D C 1.931 178.242 176.300 0.017 0.000 0.969 717 D CA 0.735 54.746 54.000 0.018 0.000 0.842 717 D CB 0.033 40.848 40.800 0.025 0.000 0.957 717 D HN 0.075 nan 8.370 nan 0.000 0.484 718 V N 1.763 121.674 119.914 -0.004 0.000 2.427 718 V HA -0.188 3.922 4.120 -0.017 0.000 0.248 718 V C 1.885 177.973 176.094 -0.011 0.000 1.051 718 V CA 1.532 63.821 62.300 -0.019 0.000 1.048 718 V CB -0.329 31.473 31.823 -0.036 0.000 0.666 718 V HN 0.017 nan 8.190 nan 0.000 0.456 719 D N -0.120 120.276 120.400 -0.007 0.000 2.144 719 D HA -0.119 4.511 4.640 -0.017 0.000 0.200 719 D C 2.418 178.725 176.300 0.012 0.000 0.978 719 D CA 1.078 55.076 54.000 -0.003 0.000 0.833 719 D CB -0.194 40.602 40.800 -0.008 0.000 0.961 719 D HN 0.358 nan 8.370 nan 0.000 0.470 720 R N 0.157 120.670 120.500 0.021 0.000 2.070 720 R HA -0.029 4.301 4.340 -0.017 0.000 0.233 720 R C 2.527 178.858 176.300 0.052 0.000 1.137 720 R CA 0.553 56.673 56.100 0.034 0.000 0.945 720 R CB -0.502 29.821 30.300 0.039 0.000 0.845 720 R HN 0.183 nan 8.270 nan 0.000 0.430 721 L N 0.900 122.163 121.223 0.066 0.000 2.043 721 L HA -0.263 4.066 4.340 -0.017 0.000 0.212 721 L C 1.692 178.619 176.870 0.096 0.000 1.075 721 L CA 1.488 56.392 54.840 0.108 0.000 0.752 721 L CB -0.395 41.736 42.059 0.120 0.000 0.891 721 L HN 0.268 nan 8.230 nan 0.000 0.432 722 D N -0.661 119.770 120.400 0.051 0.000 2.117 722 D HA -0.201 4.428 4.640 -0.017 0.000 0.197 722 D C 2.238 178.563 176.300 0.042 0.000 0.987 722 D CA 1.111 55.135 54.000 0.039 0.000 0.829 722 D CB -0.093 40.710 40.800 0.005 0.000 0.961 722 D HN 0.421 nan 8.370 nan 0.000 0.460 723 Q N 0.040 119.861 119.800 0.034 0.000 2.030 723 Q HA -0.190 4.140 4.340 -0.017 0.000 0.204 723 Q C 2.243 178.265 176.000 0.038 0.000 0.986 723 Q CA 1.742 57.563 55.803 0.030 0.000 0.843 723 Q CB -0.172 28.581 28.738 0.024 0.000 0.904 723 Q HN 0.313 nan 8.270 nan 0.000 0.420 724 R N -0.096 120.433 120.500 0.048 0.000 2.193 724 R HA 0.115 4.445 4.340 -0.017 0.000 0.213 724 R C 0.132 176.468 176.300 0.059 0.000 1.055 724 R CA 0.952 57.082 56.100 0.050 0.000 0.995 724 R CB 0.179 30.510 30.300 0.052 0.000 0.893 724 R HN 0.136 nan 8.270 nan 0.000 0.459 725 G N 0.197 109.046 108.800 0.083 0.000 3.233 725 G HA2 -0.221 3.729 3.960 -0.017 0.000 0.686 725 G HA3 -0.221 3.729 3.960 -0.017 0.000 0.686 725 G C -1.477 173.516 174.900 0.155 0.000 1.153 725 G CA -0.381 44.777 45.100 0.097 0.000 0.853 725 G HN 0.332 nan 8.290 nan 0.000 0.582 726 Y N 3.049 123.371 120.300 0.037 0.000 2.393 726 Y HA 0.574 5.114 4.550 -0.017 0.000 0.338 726 Y C 0.347 176.283 175.900 0.060 0.000 1.029 726 Y CA -0.558 57.579 58.100 0.061 0.000 1.239 726 Y CB 1.094 39.569 38.460 0.026 0.000 1.170 726 Y HN 0.604 nan 8.280 nan 0.000 0.515 727 N N 5.050 123.514 118.700 -0.393 0.000 2.626 727 N HA 0.265 4.995 4.740 -0.017 0.000 0.249 727 N C 0.126 175.375 175.510 -0.434 0.000 1.021 727 N CA 0.182 53.015 53.050 -0.362 0.000 0.886 727 N CB 1.252 39.659 38.487 -0.133 0.000 1.149 727 N HN 0.824 nan 8.380 nan 0.000 0.517 728 A N 2.630 125.062 122.820 -0.647 0.000 2.019 728 A HA -0.200 4.110 4.320 -0.017 0.000 0.219 728 A C 1.861 179.567 177.584 0.204 0.000 1.164 728 A CA 1.551 53.464 52.037 -0.207 0.000 0.644 728 A CB -0.380 18.410 19.000 -0.350 0.000 0.805 728 A HN 0.709 nan 8.150 nan 0.000 0.449 729 Q N 0.253 120.049 119.800 -0.007 0.000 2.135 729 Q HA -0.230 4.100 4.340 -0.017 0.000 0.204 729 Q C 1.883 177.951 176.000 0.114 0.000 0.981 729 Q CA 2.233 58.059 55.803 0.038 0.000 0.856 729 Q CB -0.342 28.362 28.738 -0.055 0.000 0.902 729 Q HN 0.774 nan 8.270 nan 0.000 0.425 730 E N -1.315 118.902 120.200 0.029 0.000 2.058 730 E HA -0.244 4.096 4.350 -0.017 0.000 0.194 730 E C 1.516 178.052 176.600 -0.107 0.000 0.997 730 E CA 1.532 57.877 56.400 -0.091 0.000 0.801 730 E CB -0.215 29.333 29.700 -0.254 0.000 0.746 730 E HN 0.596 nan 8.360 nan 0.000 0.450 731 Y N -1.169 119.189 120.300 0.096 0.000 2.263 731 Y HA -0.182 4.357 4.550 -0.017 0.000 0.292 731 Y C 2.167 178.050 175.900 -0.029 0.000 1.130 731 Y CA 1.439 59.579 58.100 0.065 0.000 1.179 731 Y CB -0.632 37.911 38.460 0.139 0.000 0.998 731 Y HN 0.238 nan 8.280 nan 0.000 0.532 732 Y N 1.237 121.549 120.300 0.019 0.000 2.181 732 Y HA -0.261 4.279 4.550 -0.017 0.000 0.288 732 Y C 1.843 177.704 175.900 -0.065 0.000 1.146 732 Y CA 1.832 59.869 58.100 -0.106 0.000 1.164 732 Y CB -0.309 38.140 38.460 -0.018 0.000 0.982 732 Y HN 0.048 nan 8.280 nan 0.000 0.515 733 D N -0.143 120.347 120.400 0.150 0.000 2.178 733 D HA -0.103 4.527 4.640 -0.017 0.000 0.202 733 D C 2.028 178.299 176.300 -0.048 0.000 0.974 733 D CA 1.260 55.289 54.000 0.048 0.000 0.841 733 D CB -0.133 40.712 40.800 0.075 0.000 0.953 733 D HN 0.328 nan 8.370 nan 0.000 0.478 734 R N -0.568 119.903 120.500 -0.048 0.000 2.280 734 R HA 0.299 4.628 4.340 -0.017 0.000 0.195 734 R C 0.263 176.537 176.300 -0.044 0.000 0.935 734 R CA 0.178 56.248 56.100 -0.050 0.000 1.033 734 R CB 0.667 30.933 30.300 -0.057 0.000 0.964 734 R HN 0.098 nan 8.270 nan 0.000 0.489 735 I N 1.142 121.670 120.570 -0.070 0.000 2.464 735 I HA 0.239 4.399 4.170 -0.017 0.000 0.277 735 I C -1.941 174.087 176.117 -0.148 0.000 1.040 735 I CA -2.384 58.881 61.300 -0.057 0.000 1.153 735 I CB 2.075 40.083 38.000 0.013 0.000 1.274 735 I HN -0.196 nan 8.210 nan 0.000 0.469 736 P HA -0.200 nan 4.420 nan 0.000 0.215 736 P C 1.187 178.399 177.300 -0.148 0.000 1.157 736 P CA 1.513 64.526 63.100 -0.145 0.000 0.874 736 P CB 0.287 31.934 31.700 -0.089 0.000 0.790 737 E N -1.151 119.002 120.200 -0.078 0.000 2.110 737 E HA -0.174 4.166 4.350 -0.017 0.000 0.193 737 E C 1.882 178.396 176.600 -0.143 0.000 0.988 737 E CA 0.698 57.068 56.400 -0.050 0.000 0.804 737 E CB -0.596 29.145 29.700 0.069 0.000 0.745 737 E HN 0.111 nan 8.360 nan 0.000 0.458 738 L N 1.219 122.278 121.223 -0.274 0.000 2.072 738 L HA -0.121 4.208 4.340 -0.017 0.000 0.205 738 L C 2.359 178.980 176.870 -0.415 0.000 1.079 738 L CA 1.647 56.165 54.840 -0.537 0.000 0.752 738 L CB -0.343 41.274 42.059 -0.736 0.000 0.906 738 L HN -0.095 nan 8.230 nan 0.000 0.436 739 R N -0.772 119.453 120.500 -0.458 0.000 2.091 739 R HA -0.246 4.083 4.340 -0.017 0.000 0.238 739 R C 2.388 178.529 176.300 -0.265 0.000 1.136 739 R CA 1.964 57.704 56.100 -0.600 0.000 0.959 739 R CB -0.353 29.493 30.300 -0.756 0.000 0.856 739 R HN 0.642 nan 8.270 nan 0.000 0.437 740 Q N 0.408 120.087 119.800 -0.201 0.000 2.124 740 Q HA -0.171 4.159 4.340 -0.017 0.000 0.202 740 Q C 2.011 177.968 176.000 -0.072 0.000 0.977 740 Q CA 1.804 57.534 55.803 -0.121 0.000 0.850 740 Q CB -0.084 28.585 28.738 -0.115 0.000 0.901 740 Q HN 0.495 nan 8.270 nan 0.000 0.429 741 I N 0.577 121.104 120.570 -0.071 0.000 2.202 741 I HA -0.271 3.889 4.170 -0.017 0.000 0.242 741 I C 2.084 178.242 176.117 0.069 0.000 1.091 741 I CA 0.630 61.932 61.300 0.003 0.000 1.368 741 I CB -0.266 37.708 38.000 -0.044 0.000 1.058 741 I HN 0.306 nan 8.210 nan 0.000 0.410 742 I N 0.797 121.408 120.570 0.069 0.000 2.286 742 I HA -0.247 3.912 4.170 -0.017 0.000 0.248 742 I C 2.418 178.647 176.117 0.187 0.000 1.115 742 I CA 1.626 63.033 61.300 0.180 0.000 1.392 742 I CB -1.284 36.909 38.000 0.321 0.000 1.065 742 I HN 0.331 nan 8.210 nan 0.000 0.418 743 E N 0.348 120.634 120.200 0.143 0.000 2.077 743 E HA -0.242 4.098 4.350 -0.017 0.000 0.193 743 E C 2.208 178.874 176.600 0.110 0.000 0.989 743 E CA 1.036 57.508 56.400 0.120 0.000 0.800 743 E CB -0.085 29.651 29.700 0.059 0.000 0.746 743 E HN 0.546 nan 8.360 nan 0.000 0.452 744 Q N 0.241 120.090 119.800 0.082 0.000 2.084 744 Q HA -0.136 4.193 4.340 -0.017 0.000 0.202 744 Q C 2.281 178.471 176.000 0.317 0.000 0.978 744 Q CA 0.964 56.826 55.803 0.098 0.000 0.844 744 Q CB 0.006 28.730 28.738 -0.024 0.000 0.898 744 Q HN 0.303 nan 8.270 nan 0.000 0.426 745 L N -0.159 121.267 121.223 0.338 0.000 2.056 745 L HA -0.163 4.167 4.340 -0.017 0.000 0.207 745 L C 2.312 179.384 176.870 0.336 0.000 1.078 745 L CA 0.999 56.071 54.840 0.387 0.000 0.749 745 L CB -0.229 41.980 42.059 0.249 0.000 0.901 745 L HN 0.147 nan 8.230 nan 0.000 0.433 746 S N -1.075 114.772 115.700 0.245 0.000 2.428 746 S HA -0.091 4.369 4.470 -0.017 0.000 0.230 746 S C 1.970 176.674 174.600 0.173 0.000 1.014 746 S CA 1.054 59.373 58.200 0.198 0.000 0.957 746 S CB -0.006 63.291 63.200 0.161 0.000 0.784 746 S HN 0.309 nan 8.310 nan 0.000 0.499 747 S N 0.277 116.083 115.700 0.177 0.000 2.562 747 S HA 0.321 4.781 4.470 -0.017 0.000 0.221 747 S C 1.494 176.188 174.600 0.157 0.000 0.975 747 S CA 0.513 58.801 58.200 0.148 0.000 0.918 747 S CB 0.062 63.343 63.200 0.134 0.000 0.772 747 S HN 0.757 nan 8.310 nan 0.000 0.531 748 G N 0.974 109.897 108.800 0.205 0.000 2.132 748 G HA2 -0.303 3.647 3.960 -0.017 0.000 0.228 748 G HA3 -0.303 3.647 3.960 -0.017 0.000 0.228 748 G C 0.450 175.447 174.900 0.162 0.000 1.000 748 G CA 0.181 45.386 45.100 0.174 0.000 0.693 748 G HN 0.509 nan 8.290 nan 0.000 0.515 749 F N 0.158 120.124 119.950 0.027 0.000 2.202 749 F HA 0.208 4.725 4.527 -0.017 0.000 0.301 749 F C 1.814 177.432 175.800 -0.303 0.000 1.082 749 F CA 1.827 59.725 58.000 -0.170 0.000 1.313 749 F CB -0.055 38.769 39.000 -0.295 0.000 1.024 749 F HN 0.176 nan 8.300 nan 0.000 0.495 750 F N -0.481 119.573 119.950 0.173 0.000 2.695 750 F HA 0.207 4.724 4.527 -0.017 0.000 0.303 750 F C 0.778 176.655 175.800 0.127 0.000 1.091 750 F CA 0.255 58.316 58.000 0.102 0.000 1.300 750 F CB -0.062 39.066 39.000 0.213 0.000 1.071 750 F HN -0.031 nan 8.300 nan 0.000 0.578 751 S N -1.794 114.023 115.700 0.195 0.000 2.486 751 S HA 0.316 4.776 4.470 -0.017 0.000 0.144 751 S C -2.366 172.234 174.600 -0.000 0.000 1.542 751 S CA -1.090 57.144 58.200 0.057 0.000 1.262 751 S CB 0.738 63.892 63.200 -0.078 0.000 1.462 751 S HN -0.180 nan 8.310 nan 0.000 0.381 752 P HA -0.194 nan 4.420 nan 0.000 0.217 752 P C 1.343 178.630 177.300 -0.022 0.000 1.162 752 P CA 1.374 64.449 63.100 -0.041 0.000 0.901 752 P CB 0.158 31.814 31.700 -0.073 0.000 0.793 753 K N -0.731 119.656 120.400 -0.022 0.000 2.439 753 K HA -0.082 4.228 4.320 -0.017 0.000 0.197 753 K C 0.336 176.929 176.600 -0.011 0.000 1.041 753 K CA 0.757 57.035 56.287 -0.014 0.000 0.970 753 K CB 0.076 32.570 32.500 -0.010 0.000 0.773 753 K HN 0.356 nan 8.250 nan 0.000 0.479 754 Q N -0.468 119.320 119.800 -0.019 0.000 3.429 754 Q HA 0.181 4.511 4.340 -0.017 0.000 0.237 754 Q C -2.400 173.582 176.000 -0.030 0.000 0.932 754 Q CA -1.623 54.165 55.803 -0.025 0.000 0.731 754 Q CB 1.414 30.131 28.738 -0.035 0.000 1.383 754 Q HN -0.066 nan 8.270 nan 0.000 0.446 755 P HA -0.250 nan 4.420 nan 0.000 0.218 755 P C 0.523 177.850 177.300 0.044 0.000 1.152 755 P CA 1.784 64.904 63.100 0.033 0.000 0.857 755 P CB 0.136 31.860 31.700 0.040 0.000 0.787 756 D N -1.161 119.252 120.400 0.022 0.000 2.491 756 D HA 0.003 4.633 4.640 -0.017 0.000 0.228 756 D C 1.547 177.844 176.300 -0.006 0.000 1.183 756 D CA -0.449 53.574 54.000 0.037 0.000 0.827 756 D CB -0.741 40.086 40.800 0.045 0.000 0.989 756 D HN 0.022 nan 8.370 nan 0.000 0.494 757 L N -0.217 120.934 121.223 -0.121 0.000 2.042 757 L HA -0.022 4.308 4.340 -0.017 0.000 0.210 757 L C 0.908 177.601 176.870 -0.294 0.000 1.076 757 L CA 1.621 56.292 54.840 -0.282 0.000 0.749 757 L CB -0.557 41.158 42.059 -0.574 0.000 0.893 757 L HN -0.068 nan 8.230 nan 0.000 0.432 758 F N -0.495 119.512 119.950 0.095 0.000 2.660 758 F HA 0.217 4.734 4.527 -0.017 0.000 0.297 758 F C 1.842 177.700 175.800 0.095 0.000 1.132 758 F CA -0.340 57.707 58.000 0.079 0.000 1.372 758 F CB -0.786 38.251 39.000 0.062 0.000 1.003 758 F HN -0.025 nan 8.300 nan 0.000 0.524 759 K N 0.296 120.821 120.400 0.208 0.000 2.103 759 K HA -0.168 4.142 4.320 -0.017 0.000 0.207 759 K C 1.200 177.908 176.600 0.181 0.000 1.048 759 K CA 1.465 57.856 56.287 0.174 0.000 0.930 759 K CB -0.106 32.468 32.500 0.123 0.000 0.716 759 K HN 0.247 nan 8.250 nan 0.000 0.444 760 D N 0.826 121.343 120.400 0.195 0.000 2.117 760 D HA -0.093 4.536 4.640 -0.017 0.000 0.198 760 D C 1.948 178.360 176.300 0.186 0.000 0.982 760 D CA 0.827 54.946 54.000 0.198 0.000 0.828 760 D CB -0.145 40.807 40.800 0.253 0.000 0.967 760 D HN 0.185 nan 8.370 nan 0.000 0.464 761 I N 0.263 120.946 120.570 0.188 0.000 2.252 761 I HA -0.203 3.957 4.170 -0.017 0.000 0.245 761 I C 2.355 178.545 176.117 0.123 0.000 1.102 761 I CA 0.542 61.921 61.300 0.132 0.000 1.385 761 I CB -0.084 37.973 38.000 0.095 0.000 1.064 761 I HN -0.110 nan 8.210 nan 0.000 0.414 762 V N 1.067 121.075 119.914 0.156 0.000 2.295 762 V HA -0.297 3.813 4.120 -0.017 0.000 0.246 762 V C 2.194 178.369 176.094 0.135 0.000 1.049 762 V CA 2.343 64.733 62.300 0.149 0.000 1.024 762 V CB -0.896 31.032 31.823 0.173 0.000 0.648 762 V HN 0.461 nan 8.190 nan 0.000 0.447 763 N N -0.290 118.514 118.700 0.173 0.000 2.120 763 N HA -0.199 4.531 4.740 -0.017 0.000 0.188 763 N C 1.848 177.502 175.510 0.241 0.000 1.024 763 N CA 1.621 54.816 53.050 0.240 0.000 0.852 763 N CB -0.254 38.375 38.487 0.237 0.000 1.003 763 N HN 0.304 nan 8.380 nan 0.000 0.424 764 M N 0.244 119.960 119.600 0.195 0.000 2.080 764 M HA -0.127 4.342 4.480 -0.017 0.000 0.260 764 M C 1.711 178.038 176.300 0.045 0.000 1.068 764 M CA 1.429 56.838 55.300 0.182 0.000 1.109 764 M CB -0.665 32.031 32.600 0.159 0.000 1.342 764 M HN 0.269 nan 8.290 nan 0.000 0.405 765 L N -0.312 120.881 121.223 -0.051 0.000 2.083 765 L HA -0.259 4.071 4.340 -0.017 0.000 0.209 765 L C 2.569 179.136 176.870 -0.506 0.000 1.083 765 L CA 0.965 55.618 54.840 -0.311 0.000 0.752 765 L CB -0.557 41.328 42.059 -0.291 0.000 0.899 765 L HN 0.334 nan 8.230 nan 0.000 0.433 766 M N -1.428 117.985 119.600 -0.311 0.000 2.287 766 M HA -0.080 4.389 4.480 -0.017 0.000 0.266 766 M C 1.657 177.527 176.300 -0.717 0.000 1.079 766 M CA 1.808 56.819 55.300 -0.483 0.000 1.146 766 M CB -0.783 31.505 32.600 -0.520 0.000 1.374 766 M HN 0.301 nan 8.290 nan 0.000 0.435 767 H N -2.522 116.417 119.070 -0.218 0.000 3.241 767 H HA 0.227 4.772 4.556 -0.017 0.000 0.260 767 H C 0.155 175.035 175.328 -0.747 0.000 1.084 767 H CA 0.198 55.966 56.048 -0.466 0.000 1.203 767 H CB 0.597 30.025 29.762 -0.557 0.000 1.524 767 H HN 0.313 nan 8.280 nan 0.000 0.521 768 H N -0.049 119.075 119.070 0.090 0.000 2.924 768 H HA 0.129 4.675 4.556 -0.017 0.000 0.229 768 H C -0.709 174.647 175.328 0.046 0.000 1.345 768 H CA -0.257 55.836 56.048 0.075 0.000 1.044 768 H CB 0.651 30.463 29.762 0.084 0.000 2.221 768 H HN 0.195 nan 8.280 nan 0.000 0.574 769 D N 1.251 121.707 120.400 0.092 0.000 2.411 769 D HA 0.113 4.743 4.640 -0.017 0.000 0.225 769 D C 1.168 177.426 176.300 -0.070 0.000 1.156 769 D CA -0.296 53.733 54.000 0.049 0.000 0.874 769 D CB 0.598 41.415 40.800 0.027 0.000 1.034 769 D HN 0.211 nan 8.370 nan 0.000 0.502 770 R N 2.284 122.628 120.500 -0.260 0.000 2.235 770 R HA -0.002 4.328 4.340 -0.017 0.000 0.213 770 R C 0.592 176.391 176.300 -0.836 0.000 1.059 770 R CA 0.767 56.505 56.100 -0.603 0.000 0.997 770 R CB 0.152 29.901 30.300 -0.919 0.000 0.884 770 R HN 0.402 nan 8.270 nan 0.000 0.462 771 F N 0.603 120.514 119.950 -0.065 0.000 2.639 771 F HA 0.258 4.774 4.527 -0.017 0.000 0.302 771 F C 0.022 175.702 175.800 -0.200 0.000 1.097 771 F CA -0.721 57.223 58.000 -0.092 0.000 1.294 771 F CB 0.078 39.078 39.000 0.001 0.000 1.027 771 F HN -0.256 nan 8.300 nan 0.000 0.550 772 K N -0.355 119.854 120.400 -0.318 0.000 3.311 772 K HA -0.192 4.118 4.320 -0.017 0.000 0.270 772 K C 0.993 177.486 176.600 -0.179 0.000 0.927 772 K CA 0.205 56.147 56.287 -0.575 0.000 0.706 772 K CB -1.827 30.204 32.500 -0.782 0.000 1.418 772 K HN 0.239 nan 8.250 nan 0.000 0.459 773 V N -0.012 119.876 119.914 -0.043 0.000 2.255 773 V HA -0.291 3.819 4.120 -0.017 0.000 0.247 773 V C 2.043 178.271 176.094 0.223 0.000 1.051 773 V CA 2.111 64.455 62.300 0.074 0.000 1.018 773 V CB -0.496 31.373 31.823 0.076 0.000 0.641 773 V HN 0.428 nan 8.190 nan 0.000 0.445 774 F N 0.888 120.844 119.950 0.011 0.000 2.161 774 F HA -0.140 4.377 4.527 -0.017 0.000 0.300 774 F C 2.480 178.064 175.800 -0.359 0.000 1.089 774 F CA 0.942 58.888 58.000 -0.090 0.000 1.282 774 F CB -1.536 37.413 39.000 -0.085 0.000 1.010 774 F HN 0.170 nan 8.300 nan 0.000 0.485 775 A N -0.735 121.922 122.820 -0.272 0.000 2.070 775 A HA -0.157 4.153 4.320 -0.017 0.000 0.220 775 A C 1.636 179.214 177.584 -0.010 0.000 1.159 775 A CA 1.894 53.690 52.037 -0.402 0.000 0.656 775 A CB -0.491 18.413 19.000 -0.161 0.000 0.800 775 A HN 0.226 nan 8.150 nan 0.000 0.453 776 D N -2.993 117.462 120.400 0.091 0.000 2.398 776 D HA 0.102 4.732 4.640 -0.017 0.000 0.210 776 D C 1.117 177.580 176.300 0.271 0.000 1.094 776 D CA -0.099 54.028 54.000 0.212 0.000 0.839 776 D CB -0.097 40.838 40.800 0.225 0.000 0.963 776 D HN 0.516 nan 8.370 nan 0.000 0.506 777 Y N 2.117 122.500 120.300 0.138 0.000 2.097 777 Y HA -0.257 4.283 4.550 -0.017 0.000 0.282 777 Y C 2.252 178.238 175.900 0.144 0.000 1.152 777 Y CA 2.241 60.433 58.100 0.153 0.000 1.136 777 Y CB 0.035 38.555 38.460 0.101 0.000 0.975 777 Y HN -0.070 nan 8.280 nan 0.000 0.498 778 E N -0.230 120.024 120.200 0.089 0.000 2.038 778 E HA -0.245 4.095 4.350 -0.017 0.000 0.195 778 E C 2.096 178.662 176.600 -0.057 0.000 1.000 778 E CA 1.742 58.131 56.400 -0.020 0.000 0.803 778 E CB -0.113 29.679 29.700 0.153 0.000 0.750 778 E HN 0.461 nan 8.360 nan 0.000 0.448 779 E N -0.295 119.947 120.200 0.071 0.000 2.106 779 E HA -0.188 4.152 4.350 -0.017 0.000 0.192 779 E C 1.815 178.394 176.600 -0.035 0.000 0.984 779 E CA 0.782 57.245 56.400 0.104 0.000 0.806 779 E CB -0.444 29.420 29.700 0.273 0.000 0.750 779 E HN 0.432 nan 8.360 nan 0.000 0.458 780 Y N 1.519 121.611 120.300 -0.346 0.000 2.114 780 Y HA -0.207 4.333 4.550 -0.017 0.000 0.284 780 Y C 2.270 177.766 175.900 -0.674 0.000 1.143 780 Y CA 1.079 58.647 58.100 -0.887 0.000 1.135 780 Y CB -0.504 37.513 38.460 -0.738 0.000 0.980 780 Y HN -0.197 nan 8.280 nan 0.000 0.499 781 V N 0.822 120.380 119.914 -0.593 0.000 2.343 781 V HA -0.323 3.787 4.120 -0.017 0.000 0.247 781 V C 2.316 178.175 176.094 -0.392 0.000 1.051 781 V CA 2.352 64.317 62.300 -0.559 0.000 1.036 781 V CB -0.620 30.912 31.823 -0.485 0.000 0.654 781 V HN 0.331 nan 8.190 nan 0.000 0.451 782 K N -0.890 119.346 120.400 -0.273 0.000 2.057 782 K HA -0.209 4.101 4.320 -0.017 0.000 0.207 782 K C 2.300 178.801 176.600 -0.166 0.000 1.049 782 K CA 1.712 57.903 56.287 -0.159 0.000 0.931 782 K CB -0.595 31.860 32.500 -0.074 0.000 0.714 782 K HN 0.524 nan 8.250 nan 0.000 0.440 783 C N 1.507 120.677 119.300 -0.215 0.000 2.425 783 C HA -0.084 4.366 4.460 -0.017 0.000 0.277 783 C C 2.654 177.448 174.990 -0.327 0.000 1.280 783 C CA 0.790 59.707 59.018 -0.168 0.000 1.744 783 C CB -0.628 27.026 27.740 -0.142 0.000 1.989 783 C HN 0.425 nan 8.230 nan 0.000 0.491 784 Q N 0.368 119.833 119.800 -0.558 0.000 2.170 784 Q HA -0.165 4.165 4.340 -0.017 0.000 0.203 784 Q C 1.983 177.769 176.000 -0.356 0.000 0.976 784 Q CA 1.504 56.935 55.803 -0.620 0.000 0.858 784 Q CB -0.373 27.754 28.738 -1.020 0.000 0.907 784 Q HN 0.753 nan 8.270 nan 0.000 0.433 785 E N 0.240 120.291 120.200 -0.249 0.000 2.106 785 E HA -0.141 4.199 4.350 -0.017 0.000 0.192 785 E C 2.066 178.614 176.600 -0.088 0.000 0.984 785 E CA 0.637 56.956 56.400 -0.134 0.000 0.806 785 E CB 0.068 29.711 29.700 -0.094 0.000 0.750 785 E HN 0.259 nan 8.360 nan 0.000 0.458 786 R N 0.184 120.641 120.500 -0.071 0.000 2.092 786 R HA -0.088 4.242 4.340 -0.017 0.000 0.231 786 R C 2.389 178.687 176.300 -0.002 0.000 1.119 786 R CA 0.890 57.019 56.100 0.049 0.000 0.970 786 R CB -0.298 30.116 30.300 0.191 0.000 0.864 786 R HN 0.052 nan 8.270 nan 0.000 0.440 787 V N 0.500 120.199 119.914 -0.358 0.000 2.295 787 V HA -0.256 3.854 4.120 -0.017 0.000 0.246 787 V C 2.199 178.264 176.094 -0.049 0.000 1.049 787 V CA 1.960 63.950 62.300 -0.517 0.000 1.024 787 V CB -0.354 31.060 31.823 -0.682 0.000 0.648 787 V HN 0.289 nan 8.190 nan 0.000 0.447 788 S N -0.270 115.371 115.700 -0.099 0.000 2.382 788 S HA -0.178 4.282 4.470 -0.017 0.000 0.228 788 S C 2.194 176.837 174.600 0.072 0.000 1.027 788 S CA 1.412 59.586 58.200 -0.042 0.000 0.991 788 S CB -0.442 62.707 63.200 -0.085 0.000 0.823 788 S HN 0.656 nan 8.310 nan 0.000 0.469 789 A N 1.107 123.977 122.820 0.082 0.000 1.877 789 A HA -0.073 4.237 4.320 -0.017 0.000 0.216 789 A C 2.112 179.806 177.584 0.183 0.000 1.186 789 A CA 1.489 53.599 52.037 0.121 0.000 0.620 789 A CB -0.738 18.327 19.000 0.108 0.000 0.822 789 A HN 0.445 nan 8.150 nan 0.000 0.443 790 L N -2.039 119.351 121.223 0.278 0.000 2.141 790 L HA -0.086 4.244 4.340 -0.017 0.000 0.209 790 L C 2.247 179.383 176.870 0.443 0.000 1.094 790 L CA 1.880 56.957 54.840 0.394 0.000 0.763 790 L CB -0.682 41.721 42.059 0.572 0.000 0.908 790 L HN 0.500 nan 8.230 nan 0.000 0.437 791 Y N 0.253 120.665 120.300 0.187 0.000 2.333 791 Y HA -0.206 4.335 4.550 -0.016 0.000 0.290 791 Y C 2.293 178.113 175.900 -0.133 0.000 1.144 791 Y CA 1.537 59.485 58.100 -0.253 0.000 1.228 791 Y CB -0.094 37.999 38.460 -0.612 0.000 0.985 791 Y HN 0.160 nan 8.280 nan 0.000 0.542 792 K N 0.198 120.642 120.400 0.074 0.000 2.360 792 K HA -0.171 4.139 4.320 -0.017 0.000 0.201 792 K C 0.261 176.849 176.600 -0.021 0.000 1.046 792 K CA 0.974 57.289 56.287 0.047 0.000 0.945 792 K CB -0.286 32.283 32.500 0.116 0.000 0.750 792 K HN 0.320 nan 8.250 nan 0.000 0.464 793 N N 0.543 119.242 118.700 -0.002 0.000 2.898 793 N HA 0.113 4.842 4.740 -0.017 0.000 0.245 793 N C -2.376 173.131 175.510 -0.005 0.000 1.185 793 N CA -1.872 51.182 53.050 0.006 0.000 0.879 793 N CB 1.094 39.618 38.487 0.062 0.000 1.157 793 N HN -0.228 nan 8.380 nan 0.000 0.503 794 P HA -0.252 nan 4.420 nan 0.000 0.217 794 P C 1.216 178.525 177.300 0.015 0.000 1.158 794 P CA 1.256 64.281 63.100 -0.125 0.000 0.887 794 P CB 0.200 31.797 31.700 -0.173 0.000 0.792 795 R N -0.162 120.345 120.500 0.012 0.000 2.091 795 R HA -0.171 4.159 4.340 -0.017 0.000 0.238 795 R C 2.076 178.414 176.300 0.064 0.000 1.136 795 R CA 1.558 57.677 56.100 0.032 0.000 0.959 795 R CB -0.499 29.812 30.300 0.018 0.000 0.856 795 R HN 0.051 nan 8.270 nan 0.000 0.437 796 E N -0.109 120.141 120.200 0.083 0.000 2.107 796 E HA -0.200 4.140 4.350 -0.017 0.000 0.191 796 E C 1.547 178.225 176.600 0.129 0.000 0.982 796 E CA 0.750 57.204 56.400 0.090 0.000 0.809 796 E CB -0.503 29.252 29.700 0.090 0.000 0.756 796 E HN 0.510 nan 8.360 nan 0.000 0.459 797 W N 2.069 123.364 121.300 -0.008 0.000 2.333 797 W HA -0.194 4.456 4.660 -0.018 0.000 0.316 797 W C 1.620 178.141 176.519 0.002 0.000 1.215 797 W CA 2.159 59.513 57.345 0.015 0.000 1.278 797 W CB -0.535 28.904 29.460 -0.034 0.000 1.154 797 W HN 0.028 nan 8.180 nan 0.000 0.486 798 T N 1.323 116.017 114.554 0.233 0.000 2.833 798 T HA -0.175 4.165 4.350 -0.017 0.000 0.269 798 T C 1.866 176.565 174.700 -0.002 0.000 1.054 798 T CA 1.499 63.658 62.100 0.098 0.000 1.135 798 T CB -0.304 68.605 68.868 0.069 0.000 0.869 798 T HN 0.175 nan 8.240 nan 0.000 0.466 799 R N 0.252 120.760 120.500 0.013 0.000 2.115 799 R HA 0.143 4.473 4.340 -0.017 0.000 0.226 799 R C 2.443 178.727 176.300 -0.026 0.000 1.100 799 R CA 0.889 56.996 56.100 0.011 0.000 0.980 799 R CB -0.316 30.000 30.300 0.027 0.000 0.875 799 R HN 0.402 nan 8.270 nan 0.000 0.445 800 M N 0.463 120.011 119.600 -0.087 0.000 2.200 800 M HA -0.112 4.358 4.480 -0.017 0.000 0.265 800 M C 1.954 178.161 176.300 -0.156 0.000 1.066 800 M CA 1.241 56.457 55.300 -0.141 0.000 1.127 800 M CB 0.200 32.659 32.600 -0.235 0.000 1.379 800 M HN -0.078 nan 8.290 nan 0.000 0.420 801 V N 0.980 120.774 119.914 -0.200 0.000 2.287 801 V HA -0.315 3.794 4.120 -0.017 0.000 0.248 801 V C 2.226 178.289 176.094 -0.051 0.000 1.053 801 V CA 2.029 64.239 62.300 -0.151 0.000 1.027 801 V CB -0.606 31.144 31.823 -0.122 0.000 0.646 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.449 120.109 120.570 -0.021 0.000 2.264 802 I HA -0.252 3.908 4.170 -0.017 0.000 0.248 802 I C 2.651 178.811 176.117 0.072 0.000 1.111 802 I CA 1.502 62.835 61.300 0.056 0.000 1.382 802 I CB -0.447 37.627 38.000 0.124 0.000 1.060 802 I HN 0.259 nan 8.210 nan 0.000 0.418 803 R N 0.446 120.967 120.500 0.037 0.000 2.189 803 R HA -0.092 4.237 4.340 -0.017 0.000 0.223 803 R C 1.866 178.196 176.300 0.050 0.000 1.092 803 R CA 0.953 57.076 56.100 0.039 0.000 0.989 803 R CB -0.452 29.855 30.300 0.012 0.000 0.876 803 R HN 0.551 nan 8.270 nan 0.000 0.457 804 N N 0.862 119.585 118.700 0.037 0.000 2.182 804 N HA -0.017 4.713 4.740 -0.017 0.000 0.186 804 N C 2.007 177.569 175.510 0.088 0.000 1.036 804 N CA 0.888 53.981 53.050 0.071 0.000 0.850 804 N CB 0.007 38.511 38.487 0.029 0.000 1.010 804 N HN 0.079 nan 8.380 nan 0.000 0.432 805 I N 1.754 122.363 120.570 0.065 0.000 2.248 805 I HA -0.255 3.904 4.170 -0.017 0.000 0.248 805 I C 2.361 178.526 176.117 0.080 0.000 1.107 805 I CA 0.994 62.337 61.300 0.072 0.000 1.373 805 I CB -0.286 37.747 38.000 0.054 0.000 1.055 805 I HN 0.105 nan 8.210 nan 0.000 0.418 806 A N 0.221 123.091 122.820 0.083 0.000 2.067 806 A HA -0.130 4.180 4.320 -0.017 0.000 0.219 806 A C 2.045 179.672 177.584 0.072 0.000 1.158 806 A CA 1.874 53.955 52.037 0.073 0.000 0.661 806 A CB -0.775 18.275 19.000 0.083 0.000 0.801 806 A HN 0.529 nan 8.150 nan 0.000 0.452 807 T N -2.843 111.767 114.554 0.092 0.000 3.174 807 T HA 0.169 4.508 4.350 -0.017 0.000 0.269 807 T C 1.172 175.972 174.700 0.166 0.000 1.017 807 T CA 0.599 62.758 62.100 0.100 0.000 0.899 807 T CB -0.153 68.771 68.868 0.093 0.000 1.077 807 T HN 0.470 nan 8.240 nan 0.000 0.552 808 S N 0.298 116.112 115.700 0.191 0.000 2.593 808 S HA 0.233 4.692 4.470 -0.017 0.000 0.217 808 S C 2.212 176.960 174.600 0.245 0.000 0.966 808 S CA 0.279 58.670 58.200 0.318 0.000 0.914 808 S CB -0.661 62.685 63.200 0.244 0.000 0.776 808 S HN 0.520 nan 8.310 nan 0.000 0.523 809 G N 2.604 111.467 108.800 0.104 0.000 2.469 809 G HA2 -0.283 3.667 3.960 -0.017 0.000 0.220 809 G HA3 -0.283 3.667 3.960 -0.017 0.000 0.220 809 G C 1.327 176.188 174.900 -0.066 0.000 1.136 809 G CA 1.003 46.127 45.100 0.040 0.000 0.759 809 G HN 0.603 nan 8.290 nan 0.000 0.562 810 K N -0.140 120.107 120.400 -0.255 0.000 2.280 810 K HA -0.021 4.289 4.320 -0.017 0.000 0.202 810 K C 1.007 177.253 176.600 -0.590 0.000 1.047 810 K CA 0.610 56.594 56.287 -0.504 0.000 0.942 810 K CB -0.240 31.784 32.500 -0.794 0.000 0.739 810 K HN 0.411 nan 8.250 nan 0.000 0.457 811 F N 0.884 120.863 119.950 0.048 0.000 2.663 811 F HA 0.140 4.656 4.527 -0.018 0.000 0.299 811 F C 0.707 176.553 175.800 0.076 0.000 1.143 811 F CA -0.590 57.446 58.000 0.060 0.000 1.387 811 F CB 0.423 39.455 39.000 0.054 0.000 1.019 811 F HN -0.125 nan 8.300 nan 0.000 0.523 812 S N 0.120 115.898 115.700 0.130 0.000 2.537 812 S HA 0.126 4.586 4.470 -0.017 0.000 0.275 812 S C 1.393 176.071 174.600 0.130 0.000 1.272 812 S CA -0.288 57.989 58.200 0.129 0.000 1.050 812 S CB 0.971 64.218 63.200 0.077 0.000 0.961 812 S HN 0.318 nan 8.310 nan 0.000 0.496 813 S N 3.200 119.002 115.700 0.170 0.000 2.474 813 S HA -0.078 4.382 4.470 -0.017 0.000 0.235 813 S C 0.936 175.585 174.600 0.082 0.000 0.997 813 S CA 0.712 59.031 58.200 0.199 0.000 0.949 813 S CB -0.381 63.010 63.200 0.318 0.000 0.766 813 S HN 0.793 nan 8.310 nan 0.000 0.517 814 D N 1.750 122.184 120.400 0.057 0.000 2.144 814 D HA -0.065 4.565 4.640 -0.017 0.000 0.200 814 D C 2.079 178.380 176.300 0.001 0.000 0.978 814 D CA 0.708 54.720 54.000 0.019 0.000 0.833 814 D CB -0.288 40.522 40.800 0.016 0.000 0.961 814 D HN 0.296 nan 8.370 nan 0.000 0.470 815 R N 0.710 121.213 120.500 0.006 0.000 2.066 815 R HA -0.075 4.254 4.340 -0.017 0.000 0.232 815 R C 1.859 178.147 176.300 -0.021 0.000 1.131 815 R CA 1.327 57.416 56.100 -0.018 0.000 0.955 815 R CB -0.645 29.631 30.300 -0.039 0.000 0.851 815 R HN 0.117 nan 8.270 nan 0.000 0.432 816 T N 2.244 116.805 114.554 0.013 0.000 2.652 816 T HA -0.126 4.214 4.350 -0.017 0.000 0.267 816 T C 1.942 176.638 174.700 -0.007 0.000 1.039 816 T CA 1.326 63.449 62.100 0.038 0.000 1.153 816 T CB -0.146 68.811 68.868 0.149 0.000 0.863 816 T HN 0.095 nan 8.240 nan 0.000 0.428 817 I N 1.788 122.274 120.570 -0.141 0.000 2.286 817 I HA -0.117 4.043 4.170 -0.017 0.000 0.248 817 I C 2.918 178.995 176.117 -0.067 0.000 1.115 817 I CA 0.999 62.184 61.300 -0.191 0.000 1.392 817 I CB -1.639 36.256 38.000 -0.176 0.000 1.065 817 I HN 0.205 nan 8.210 nan 0.000 0.418 818 A N 0.057 122.852 122.820 -0.040 0.000 1.940 818 A HA -0.242 4.068 4.320 -0.017 0.000 0.219 818 A C 2.250 179.797 177.584 -0.062 0.000 1.176 818 A CA 1.487 53.509 52.037 -0.026 0.000 0.631 818 A CB -0.563 18.425 19.000 -0.020 0.000 0.814 818 A HN 0.517 nan 8.150 nan 0.000 0.446 819 Q N -1.994 117.750 119.800 -0.093 0.000 2.123 819 Q HA -0.145 4.185 4.340 -0.017 0.000 0.199 819 Q C 1.908 177.750 176.000 -0.263 0.000 0.966 819 Q CA 1.536 57.245 55.803 -0.156 0.000 0.845 819 Q CB -0.264 28.371 28.738 -0.172 0.000 0.907 819 Q HN 0.828 nan 8.270 nan 0.000 0.439 820 Y N 0.478 120.494 120.300 -0.474 0.000 2.145 820 Y HA -0.267 4.273 4.550 -0.017 0.000 0.286 820 Y C 2.470 177.803 175.900 -0.945 0.000 1.145 820 Y CA 1.250 58.817 58.100 -0.889 0.000 1.148 820 Y CB -0.392 37.241 38.460 -1.380 0.000 0.981 820 Y HN 0.150 nan 8.280 nan 0.000 0.507 821 A N 0.006 122.614 122.820 -0.354 0.000 1.883 821 A HA -0.265 4.044 4.320 -0.017 0.000 0.217 821 A C 2.168 179.781 177.584 0.048 0.000 1.186 821 A CA 2.284 54.377 52.037 0.093 0.000 0.624 821 A CB -0.600 18.525 19.000 0.209 0.000 0.822 821 A HN 0.370 nan 8.150 nan 0.000 0.444 822 R N -0.565 119.918 120.500 -0.030 0.000 2.062 822 R HA -0.003 4.327 4.340 -0.017 0.000 0.226 822 R C 2.023 178.301 176.300 -0.037 0.000 1.125 822 R CA 1.696 57.787 56.100 -0.016 0.000 0.966 822 R CB -0.191 30.092 30.300 -0.028 0.000 0.861 822 R HN 0.699 nan 8.270 nan 0.000 0.433 823 E N -0.986 119.151 120.200 -0.105 0.000 2.318 823 E HA 0.046 4.386 4.350 -0.017 0.000 0.193 823 E C 1.315 177.865 176.600 -0.085 0.000 0.998 823 E CA 0.675 57.017 56.400 -0.098 0.000 0.859 823 E CB 0.431 30.045 29.700 -0.143 0.000 0.812 823 E HN 0.329 nan 8.360 nan 0.000 0.492 824 I N -1.211 119.268 120.570 -0.152 0.000 3.570 824 I HA 0.012 4.171 4.170 -0.017 0.000 0.270 824 I C 1.377 177.620 176.117 0.209 0.000 1.162 824 I CA -0.066 61.198 61.300 -0.059 0.000 1.413 824 I CB 0.158 37.974 38.000 -0.306 0.000 1.437 824 I HN 0.123 nan 8.210 nan 0.000 0.457 825 W N 1.528 122.921 121.300 0.155 0.000 2.518 825 W HA 0.274 4.924 4.660 -0.017 0.000 0.273 825 W C 1.585 178.143 176.519 0.064 0.000 1.247 825 W CA 0.941 58.359 57.345 0.122 0.000 1.288 825 W CB -1.128 28.391 29.460 0.099 0.000 1.107 825 W HN 0.337 nan 8.180 nan 0.000 0.586 826 G N 0.869 109.811 108.800 0.236 0.000 2.212 826 G HA2 -0.145 3.805 3.960 -0.017 0.000 0.255 826 G HA3 -0.145 3.805 3.960 -0.017 0.000 0.255 826 G C -0.584 174.390 174.900 0.122 0.000 1.062 826 G CA 0.238 45.419 45.100 0.134 0.000 0.815 826 G HN 0.200 nan 8.290 nan 0.000 0.497 827 V N -0.877 119.131 119.914 0.157 0.000 2.962 827 V HA 0.768 4.878 4.120 -0.017 0.000 0.313 827 V C -0.859 175.296 176.094 0.103 0.000 1.099 827 V CA -1.087 61.285 62.300 0.120 0.000 0.971 827 V CB 2.041 33.946 31.823 0.136 0.000 1.028 827 V HN 0.223 nan 8.190 nan 0.000 0.430 828 E N 5.200 125.442 120.200 0.070 0.000 2.174 828 E HA 0.465 4.805 4.350 -0.017 0.000 0.282 828 E C -2.410 174.226 176.600 0.059 0.000 0.992 828 E CA -1.754 54.680 56.400 0.057 0.000 0.803 828 E CB 1.608 31.333 29.700 0.041 0.000 1.090 828 E HN 0.567 nan 8.360 nan 0.000 0.396 829 P HA 0.104 nan 4.420 nan 0.000 0.271 829 P C -0.659 176.669 177.300 0.047 0.000 1.244 829 P CA -0.257 62.877 63.100 0.056 0.000 0.793 829 P CB 0.637 32.364 31.700 0.045 0.000 0.984 830 S N -0.069 115.659 115.700 0.047 0.000 2.548 830 S HA 0.321 4.781 4.470 -0.017 0.000 0.278 830 S C -0.049 174.575 174.600 0.039 0.000 1.150 830 S CA -0.742 57.484 58.200 0.044 0.000 0.907 830 S CB 0.900 64.132 63.200 0.054 0.000 1.108 830 S HN 0.277 nan 8.310 nan 0.000 0.459 831 R N 1.926 122.445 120.500 0.031 0.000 2.393 831 R HA 0.208 4.538 4.340 -0.017 0.000 0.244 831 R C 0.074 176.384 176.300 0.017 0.000 0.920 831 R CA -0.121 55.995 56.100 0.027 0.000 1.076 831 R CB 0.236 30.552 30.300 0.027 0.000 1.119 831 R HN 0.688 nan 8.270 nan 0.000 0.524 832 Q N 2.033 121.843 119.800 0.018 0.000 2.286 832 Q HA -0.059 4.271 4.340 -0.017 0.000 0.290 832 Q C -0.134 175.859 176.000 -0.012 0.000 1.049 832 Q CA 0.764 56.571 55.803 0.006 0.000 0.923 832 Q CB 0.576 29.324 28.738 0.017 0.000 1.183 832 Q HN 0.169 nan 8.270 nan 0.000 0.383 833 R N 1.967 122.451 120.500 -0.027 0.000 2.404 833 R HA 0.472 4.801 4.340 -0.017 0.000 0.291 833 R C -0.456 175.801 176.300 -0.071 0.000 1.025 833 R CA -0.611 55.460 56.100 -0.049 0.000 0.991 833 R CB 0.679 30.948 30.300 -0.052 0.000 1.053 833 R HN 0.383 nan 8.270 nan 0.000 0.479 834 L N 2.742 123.904 121.223 -0.101 0.000 2.456 834 L HA 0.446 4.776 4.340 -0.017 0.000 0.257 834 L C -1.856 174.955 176.870 -0.098 0.000 1.162 834 L CA -2.385 52.367 54.840 -0.146 0.000 0.808 834 L CB 1.022 42.956 42.059 -0.209 0.000 1.136 834 L HN 0.518 nan 8.230 nan 0.000 0.466 835 P HA 0.148 nan 4.420 nan 0.000 0.274 835 P C -0.831 176.444 177.300 -0.042 0.000 1.231 835 P CA -0.438 62.631 63.100 -0.052 0.000 0.790 835 P CB 0.679 32.356 31.700 -0.038 0.000 0.951 836 A N 4.384 127.189 122.820 -0.025 0.000 2.406 836 A HA 0.240 4.549 4.320 -0.017 0.000 0.243 836 A C -1.079 176.506 177.584 0.002 0.000 1.082 836 A CA -0.664 51.367 52.037 -0.009 0.000 0.786 836 A CB -1.370 17.630 19.000 0.000 0.000 1.029 836 A HN 0.436 nan 8.150 nan 0.000 0.495 837 P HA -0.153 nan 4.420 nan 0.000 0.216 837 P C 0.058 177.368 177.300 0.017 0.000 1.167 837 P CA 1.533 64.645 63.100 0.021 0.000 0.914 837 P CB -0.172 31.549 31.700 0.035 0.000 0.793 838 D N 0.000 120.412 120.400 0.021 0.000 6.856 838 D HA 0.000 4.630 4.640 -0.017 0.000 0.175 838 D CA 0.000 54.010 54.000 0.017 0.000 0.868 838 D CB 0.000 40.813 40.800 0.022 0.000 0.688 838 D HN 0.000 nan 8.370 nan 0.000 0.683