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 1b0k_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAKVAMSHFE PHEYIRYDLL EKNIDIVRKR LNRPLTLSEK IVYGHLDDPA DATA SEQUENCE NQEIERGKTY LRLRPDRVAM QDATAQMAML QFISSGLPKV AVPSTIHCDH DATA SEQUENCE LIEAQLGGEK DLRRAKDINQ EVYNFLATAG AKYGVGFWRP GSGIIHQIIL DATA SEQUENCE ENYAYPGVLL IGTDSHTPNG GGLGGICIGV GGADAVDVMA GIPWELKCPK DATA SEQUENCE VIGVKLTGSL SGWTSPKDVI LKVAGILTVK GGTGAIVEYH GPGVDSISCT DATA SEQUENCE GMATICNMGA EIGATTSVFP YNHRMKKYLS KTGRADIANL ADEFKDHLVP DATA SEQUENCE DPGCHYDQVI EINLSELKPH INGPFTPDLA HPVAEVGSVA EKEGWPLDIR DATA SEQUENCE VGLIGSCTNS SYEDMGRSAA VAKQALAHGL KCKSQFTITP GSEQIRATIE DATA SEQUENCE RDGYAQVLRD VGGIVLANAC GPCIGQWDRK DIKKGEKNTI VTSYNRNFTG DATA SEQUENCE RNDANPETHA FVTSPEIVTA LAIAGTLKFN PETDFLTGKD GKKFKLEAPD DATA SEQUENCE ADELPRAEFD PGQDTYQHPP KDSSGQRVDV SPTSQRLQLL EPFDKWDGKD DATA SEQUENCE LEDLQILIKV KGKCTTDHIS AAGPWLKFRG HLDNISNNLL IGAINIENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG ASREHSALEP DATA SEQUENCE RHLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL KCIIKHPNGT QETILLNHTF NETQIEWFRA GSALNRMKEL DATA SEQUENCE QQK 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.295 176.300 -0.008 0.000 0.893 2 R CA 0.000 56.127 56.100 0.046 0.000 0.921 2 R CB 0.000 30.370 30.300 0.116 0.000 0.687 3 A N 0.969 123.792 122.820 0.004 0.000 2.327 3 A HA 0.515 4.835 4.320 0.001 0.000 0.255 3 A C -0.923 176.537 177.584 -0.207 0.000 1.099 3 A CA 0.190 52.189 52.037 -0.062 0.000 0.801 3 A CB 0.252 19.250 19.000 -0.003 0.000 1.062 3 A HN 0.383 nan 8.150 nan 0.000 0.496 4 K N 0.820 121.032 120.400 -0.313 0.000 2.540 4 K HA 0.468 4.788 4.320 0.001 0.000 0.218 4 K C -1.501 174.873 176.600 -0.377 0.000 1.017 4 K CA -0.160 55.711 56.287 -0.692 0.000 1.029 4 K CB 1.452 33.414 32.500 -0.896 0.000 1.348 4 K HN 0.382 nan 8.250 nan 0.000 0.508 5 V N 1.875 121.686 119.914 -0.171 0.000 2.483 5 V HA 0.556 4.677 4.120 0.001 0.000 0.295 5 V C 0.086 176.261 176.094 0.135 0.000 1.035 5 V CA -0.919 61.366 62.300 -0.026 0.000 0.896 5 V CB 1.609 33.370 31.823 -0.104 0.000 0.986 5 V HN 0.724 nan 8.190 nan 0.000 0.447 6 A N 4.368 127.252 122.820 0.106 0.000 2.293 6 A HA 0.628 4.948 4.320 0.001 0.000 0.302 6 A C 0.947 178.469 177.584 -0.104 0.000 1.119 6 A CA -0.539 51.520 52.037 0.037 0.000 0.823 6 A CB 0.750 19.746 19.000 -0.006 0.000 1.097 6 A HN 0.894 nan 8.150 nan 0.000 0.491 7 M N 0.958 120.484 119.600 -0.124 0.000 2.159 7 M HA -0.074 4.406 4.480 0.001 0.000 0.263 7 M C 0.806 177.110 176.300 0.007 0.000 1.063 7 M CA 1.792 57.047 55.300 -0.075 0.000 1.110 7 M CB -0.332 32.305 32.600 0.062 0.000 1.374 7 M HN 0.889 nan 8.290 nan 0.000 0.411 8 S N -2.645 113.046 115.700 -0.015 0.000 2.776 8 S HA 0.333 4.803 4.470 0.001 0.000 0.292 8 S C 0.126 174.624 174.600 -0.171 0.000 1.187 8 S CA -1.020 57.110 58.200 -0.117 0.000 0.834 8 S CB 0.626 63.852 63.200 0.044 0.000 1.199 8 S HN 0.152 nan 8.310 nan 0.000 0.514 9 H N -0.082 118.687 119.070 -0.502 0.000 2.546 9 H HA 0.267 4.824 4.556 0.001 0.000 0.277 9 H C 0.405 175.320 175.328 -0.687 0.000 1.004 9 H CA 0.514 56.165 56.048 -0.661 0.000 1.231 9 H CB -0.377 28.842 29.762 -0.905 0.000 1.382 9 H HN 0.594 nan 8.280 nan 0.000 0.580 10 F N -0.354 119.591 119.950 -0.008 0.000 2.704 10 F HA 0.260 4.787 4.527 0.001 0.000 0.304 10 F C 0.301 176.129 175.800 0.046 0.000 1.094 10 F CA -0.110 57.863 58.000 -0.044 0.000 1.275 10 F CB 0.638 39.584 39.000 -0.089 0.000 1.073 10 F HN -0.097 nan 8.300 nan 0.000 0.586 11 E N 1.607 121.866 120.200 0.097 0.000 3.374 11 E HA 0.184 4.534 4.350 0.001 0.000 0.223 11 E C -1.951 174.411 176.600 -0.397 0.000 1.210 11 E CA -1.464 54.843 56.400 -0.155 0.000 0.987 11 E CB 0.815 30.445 29.700 -0.116 0.000 1.322 11 E HN -0.059 nan 8.360 nan 0.000 0.404 12 P HA -0.130 nan 4.420 nan 0.000 0.242 12 P C 0.253 177.438 177.300 -0.191 0.000 1.197 12 P CA 1.010 64.029 63.100 -0.135 0.000 0.765 12 P CB 0.061 31.758 31.700 -0.004 0.000 0.936 13 H N -3.522 115.399 119.070 -0.249 0.000 2.893 13 H HA 0.362 4.919 4.556 0.001 0.000 0.270 13 H C 0.120 175.020 175.328 -0.713 0.000 1.095 13 H CA -0.342 55.452 56.048 -0.425 0.000 1.186 13 H CB -0.096 29.570 29.762 -0.160 0.000 1.562 13 H HN -0.119 nan 8.280 nan 0.000 0.536 14 E N 1.646 121.323 120.200 -0.872 0.000 2.114 14 E HA 0.181 4.531 4.350 0.001 0.000 0.266 14 E C -1.154 175.140 176.600 -0.511 0.000 0.896 14 E CA -0.614 55.464 56.400 -0.537 0.000 0.750 14 E CB 1.126 30.636 29.700 -0.317 0.000 1.121 14 E HN 0.339 nan 8.360 nan 0.000 0.413 15 Y N 1.018 121.280 120.300 -0.064 0.000 2.419 15 Y HA 0.373 4.924 4.550 0.001 0.000 0.328 15 Y C 1.115 176.926 175.900 -0.148 0.000 1.162 15 Y CA -1.048 56.983 58.100 -0.114 0.000 1.174 15 Y CB 0.816 39.222 38.460 -0.090 0.000 1.228 15 Y HN 0.347 nan 8.280 nan 0.000 0.473 16 I N 3.972 124.485 120.570 -0.096 0.000 2.618 16 I HA 0.069 4.240 4.170 0.001 0.000 0.284 16 I C 0.246 176.201 176.117 -0.270 0.000 1.146 16 I CA 0.099 61.200 61.300 -0.333 0.000 1.425 16 I CB 0.322 37.863 38.000 -0.764 0.000 1.383 16 I HN 0.395 nan 8.210 nan 0.000 0.562 17 R N 6.583 126.961 120.500 -0.203 0.000 2.868 17 R HA 0.161 4.501 4.340 0.001 0.000 0.289 17 R C -0.092 176.125 176.300 -0.138 0.000 1.443 17 R CA -0.489 55.535 56.100 -0.128 0.000 1.651 17 R CB -0.046 30.235 30.300 -0.032 0.000 1.242 17 R HN 0.572 nan 8.270 nan 0.000 0.621 18 Y N 1.094 121.169 120.300 -0.375 0.000 2.509 18 Y HA -0.155 4.396 4.550 0.001 0.000 0.293 18 Y C 2.005 177.525 175.900 -0.633 0.000 1.133 18 Y CA 0.726 58.416 58.100 -0.683 0.000 1.283 18 Y CB -0.037 37.572 38.460 -1.418 0.000 1.001 18 Y HN 0.388 nan 8.280 nan 0.000 0.555 19 D N -0.820 119.462 120.400 -0.197 0.000 2.144 19 D HA -0.152 4.489 4.640 0.001 0.000 0.200 19 D C 1.995 178.292 176.300 -0.005 0.000 0.978 19 D CA 0.820 54.828 54.000 0.013 0.000 0.833 19 D CB -0.396 40.447 40.800 0.073 0.000 0.961 19 D HN 0.197 nan 8.370 nan 0.000 0.470 20 L N 0.265 121.465 121.223 -0.039 0.000 2.131 20 L HA 0.008 4.349 4.340 0.001 0.000 0.206 20 L C 2.548 179.371 176.870 -0.077 0.000 1.087 20 L CA 0.602 55.419 54.840 -0.038 0.000 0.767 20 L CB -0.951 41.089 42.059 -0.031 0.000 0.917 20 L HN 0.101 nan 8.230 nan 0.000 0.441 21 L N 0.530 121.679 121.223 -0.124 0.000 1.990 21 L HA -0.259 4.081 4.340 0.001 0.000 0.213 21 L C 2.531 179.299 176.870 -0.170 0.000 1.072 21 L CA 2.092 56.835 54.840 -0.163 0.000 0.755 21 L CB -0.577 41.398 42.059 -0.139 0.000 0.889 21 L HN 0.330 nan 8.230 nan 0.000 0.432 22 E N -0.417 119.648 120.200 -0.226 0.000 2.038 22 E HA -0.328 4.022 4.350 0.001 0.000 0.195 22 E C 2.323 178.871 176.600 -0.085 0.000 1.000 22 E CA 1.698 57.924 56.400 -0.290 0.000 0.803 22 E CB -0.267 29.362 29.700 -0.120 0.000 0.750 22 E HN 0.510 nan 8.360 nan 0.000 0.448 23 K N 0.049 120.436 120.400 -0.023 0.000 2.089 23 K HA -0.232 4.088 4.320 0.001 0.000 0.210 23 K C 1.778 178.387 176.600 0.015 0.000 1.048 23 K CA 1.914 58.208 56.287 0.012 0.000 0.926 23 K CB -0.067 32.443 32.500 0.017 0.000 0.714 23 K HN 0.120 nan 8.250 nan 0.000 0.448 24 N N 0.637 119.339 118.700 0.004 0.000 2.251 24 N HA -0.034 4.706 4.740 0.001 0.000 0.181 24 N C 1.921 177.462 175.510 0.052 0.000 1.019 24 N CA 0.827 53.893 53.050 0.027 0.000 0.862 24 N CB -0.166 38.335 38.487 0.024 0.000 0.992 24 N HN 0.196 nan 8.380 nan 0.000 0.429 25 I N 1.138 121.734 120.570 0.044 0.000 2.194 25 I HA -0.319 3.851 4.170 0.001 0.000 0.246 25 I C 1.989 178.164 176.117 0.097 0.000 1.093 25 I CA 1.481 62.835 61.300 0.090 0.000 1.355 25 I CB -0.131 37.910 38.000 0.070 0.000 1.046 25 I HN 0.107 nan 8.210 nan 0.000 0.413 26 D N 0.860 121.304 120.400 0.073 0.000 2.077 26 D HA -0.164 4.476 4.640 0.001 0.000 0.196 26 D C 2.214 178.549 176.300 0.057 0.000 0.986 26 D CA 1.319 55.364 54.000 0.075 0.000 0.829 26 D CB -0.044 40.798 40.800 0.071 0.000 0.983 26 D HN 0.242 nan 8.370 nan 0.000 0.453 27 I N -0.033 120.564 120.570 0.045 0.000 2.229 27 I HA -0.302 3.868 4.170 0.001 0.000 0.250 27 I C 2.254 178.388 176.117 0.029 0.000 1.096 27 I CA 0.785 62.105 61.300 0.033 0.000 1.358 27 I CB -0.275 37.742 38.000 0.028 0.000 1.047 27 I HN 0.088 nan 8.210 nan 0.000 0.422 28 V N 1.404 121.343 119.914 0.043 0.000 2.346 28 V HA -0.206 3.914 4.120 0.001 0.000 0.244 28 V C 2.500 178.619 176.094 0.041 0.000 1.037 28 V CA 2.004 64.323 62.300 0.031 0.000 1.029 28 V CB -0.603 31.261 31.823 0.069 0.000 0.663 28 V HN 0.517 nan 8.190 nan 0.000 0.454 29 R N 0.326 120.868 120.500 0.070 0.000 2.241 29 R HA -0.130 4.211 4.340 0.001 0.000 0.224 29 R C 1.919 178.241 176.300 0.038 0.000 1.101 29 R CA 1.248 57.386 56.100 0.063 0.000 0.995 29 R CB -0.381 29.965 30.300 0.077 0.000 0.870 29 R HN 0.284 nan 8.270 nan 0.000 0.463 30 K N 0.890 121.308 120.400 0.031 0.000 2.167 30 K HA 0.054 4.374 4.320 0.001 0.000 0.203 30 K C 2.022 178.626 176.600 0.007 0.000 1.052 30 K CA 1.136 57.435 56.287 0.019 0.000 0.956 30 K CB 0.126 32.638 32.500 0.019 0.000 0.735 30 K HN 0.211 nan 8.250 nan 0.000 0.451 31 R N -0.141 120.360 120.500 0.001 0.000 2.075 31 R HA 0.063 4.403 4.340 0.001 0.000 0.226 31 R C 1.924 178.215 176.300 -0.015 0.000 1.114 31 R CA 1.051 57.143 56.100 -0.013 0.000 0.972 31 R CB -0.179 30.105 30.300 -0.027 0.000 0.869 31 R HN 0.116 nan 8.270 nan 0.000 0.437 32 L N 0.258 121.475 121.223 -0.010 0.000 2.375 32 L HA 0.082 4.423 4.340 0.001 0.000 0.215 32 L C 0.070 176.941 176.870 0.002 0.000 1.108 32 L CA -0.046 54.790 54.840 -0.008 0.000 0.830 32 L CB -0.287 41.774 42.059 0.003 0.000 0.959 32 L HN 0.219 nan 8.230 nan 0.000 0.457 33 N N 2.194 120.899 118.700 0.008 0.000 2.705 33 N HA -0.193 4.547 4.740 0.001 0.000 0.255 33 N C -0.407 175.105 175.510 0.004 0.000 1.008 33 N CA 0.976 54.030 53.050 0.006 0.000 0.742 33 N CB -0.596 37.891 38.487 -0.001 0.000 0.906 33 N HN 0.612 nan 8.380 nan 0.000 0.541 34 R N -2.547 117.961 120.500 0.013 0.000 2.716 34 R HA 0.614 4.954 4.340 0.001 0.000 0.271 34 R C -3.228 173.081 176.300 0.016 0.000 1.028 34 R CA -1.517 54.587 56.100 0.007 0.000 0.883 34 R CB 0.430 30.732 30.300 0.002 0.000 1.250 34 R HN -0.233 nan 8.270 nan 0.000 0.465 35 P HA 0.090 nan 4.420 nan 0.000 0.266 35 P C -0.845 176.458 177.300 0.005 0.000 1.195 35 P CA -0.044 63.051 63.100 -0.008 0.000 0.768 35 P CB 0.487 32.163 31.700 -0.041 0.000 0.838 36 L N 2.121 123.355 121.223 0.018 0.000 2.325 36 L HA 0.421 4.761 4.340 0.001 0.000 0.278 36 L C 1.241 178.105 176.870 -0.009 0.000 1.023 36 L CA -0.696 54.167 54.840 0.038 0.000 0.811 36 L CB 1.702 43.806 42.059 0.076 0.000 1.249 36 L HN 0.431 nan 8.230 nan 0.000 0.431 37 T N -1.075 113.466 114.554 -0.022 0.000 2.770 37 T HA 0.138 4.489 4.350 0.001 0.000 0.281 37 T C 0.970 175.678 174.700 0.014 0.000 0.981 37 T CA -0.598 61.494 62.100 -0.013 0.000 0.955 37 T CB 0.916 69.815 68.868 0.053 0.000 1.060 37 T HN 0.452 nan 8.240 nan 0.000 0.531 38 L N 1.178 122.434 121.223 0.054 0.000 2.012 38 L HA -0.045 4.296 4.340 0.001 0.000 0.210 38 L C 2.741 179.622 176.870 0.018 0.000 1.073 38 L CA 2.687 57.559 54.840 0.054 0.000 0.748 38 L CB -1.417 40.695 42.059 0.088 0.000 0.891 38 L HN 0.940 nan 8.230 nan 0.000 0.431 39 S N -1.600 114.100 115.700 -0.001 0.000 2.402 39 S HA -0.162 4.308 4.470 0.001 0.000 0.229 39 S C 1.760 176.253 174.600 -0.179 0.000 1.021 39 S CA 1.034 59.206 58.200 -0.047 0.000 0.974 39 S CB -0.693 62.487 63.200 -0.032 0.000 0.800 39 S HN 0.641 nan 8.310 nan 0.000 0.484 40 E N 1.612 121.645 120.200 -0.278 0.000 2.072 40 E HA -0.104 4.247 4.350 0.001 0.000 0.191 40 E C 2.159 178.420 176.600 -0.566 0.000 0.985 40 E CA 1.065 57.033 56.400 -0.720 0.000 0.801 40 E CB -0.132 29.318 29.700 -0.416 0.000 0.750 40 E HN 0.593 nan 8.360 nan 0.000 0.452 41 K N 0.589 120.888 120.400 -0.168 0.000 2.002 41 K HA -0.125 4.196 4.320 0.001 0.000 0.209 41 K C 2.190 178.805 176.600 0.025 0.000 1.048 41 K CA 1.202 57.482 56.287 -0.011 0.000 0.930 41 K CB -0.116 32.422 32.500 0.064 0.000 0.714 41 K HN 0.114 nan 8.250 nan 0.000 0.438 42 I N 0.474 121.064 120.570 0.033 0.000 2.252 42 I HA -0.235 3.935 4.170 0.001 0.000 0.245 42 I C 2.253 178.495 176.117 0.209 0.000 1.102 42 I CA 0.861 62.246 61.300 0.142 0.000 1.385 42 I CB -0.204 37.868 38.000 0.121 0.000 1.064 42 I HN -0.041 nan 8.210 nan 0.000 0.414 43 V N 0.427 120.362 119.914 0.035 0.000 2.270 43 V HA -0.286 3.834 4.120 0.001 0.000 0.245 43 V C 2.324 178.542 176.094 0.206 0.000 1.043 43 V CA 1.905 64.247 62.300 0.070 0.000 1.014 43 V CB -0.697 31.078 31.823 -0.080 0.000 0.645 43 V HN 0.290 nan 8.190 nan 0.000 0.447 44 Y N 1.202 121.576 120.300 0.124 0.000 2.373 44 Y HA 0.054 4.605 4.550 0.001 0.000 0.293 44 Y C 2.511 178.463 175.900 0.086 0.000 1.129 44 Y CA 0.457 58.613 58.100 0.094 0.000 1.226 44 Y CB -1.558 36.941 38.460 0.065 0.000 1.000 44 Y HN 0.263 nan 8.280 nan 0.000 0.549 45 G N -1.198 107.717 108.800 0.192 0.000 2.470 45 G HA2 -0.228 3.732 3.960 0.001 0.000 0.220 45 G HA3 -0.228 3.732 3.960 0.001 0.000 0.220 45 G C 0.746 175.638 174.900 -0.013 0.000 1.121 45 G CA 0.644 45.777 45.100 0.054 0.000 0.766 45 G HN 0.480 nan 8.290 nan 0.000 0.553 46 H N -0.554 118.590 119.070 0.123 0.000 2.519 46 H HA 0.381 4.937 4.556 0.001 0.000 0.289 46 H C 0.567 175.975 175.328 0.133 0.000 1.040 46 H CA -0.511 55.610 56.048 0.122 0.000 1.165 46 H CB 0.118 29.956 29.762 0.127 0.000 1.462 46 H HN 0.154 nan 8.280 nan 0.000 0.555 47 L N 0.439 121.786 121.223 0.207 0.000 2.397 47 L HA 0.013 4.354 4.340 0.001 0.000 0.271 47 L C 1.489 178.431 176.870 0.120 0.000 1.148 47 L CA -0.002 54.934 54.840 0.160 0.000 0.825 47 L CB 0.875 43.009 42.059 0.125 0.000 1.117 47 L HN 0.241 nan 8.230 nan 0.000 0.456 48 D N 0.594 121.058 120.400 0.108 0.000 2.144 48 D HA -0.163 4.478 4.640 0.001 0.000 0.200 48 D C 0.411 176.748 176.300 0.062 0.000 0.978 48 D CA 1.189 55.241 54.000 0.088 0.000 0.833 48 D CB 0.348 41.200 40.800 0.087 0.000 0.961 48 D HN 0.440 nan 8.370 nan 0.000 0.470 49 D N -0.997 119.433 120.400 0.050 0.000 2.400 49 D HA 0.134 4.775 4.640 0.001 0.000 0.272 49 D C -1.892 174.421 176.300 0.022 0.000 1.220 49 D CA -1.789 52.231 54.000 0.033 0.000 0.897 49 D CB 1.522 42.337 40.800 0.024 0.000 1.134 49 D HN 0.041 nan 8.370 nan 0.000 0.507 50 P HA -0.129 nan 4.420 nan 0.000 0.216 50 P C 1.189 178.486 177.300 -0.004 0.000 1.150 50 P CA 0.719 63.828 63.100 0.015 0.000 0.837 50 P CB 0.451 32.170 31.700 0.032 0.000 0.786 51 A N 0.436 123.257 122.820 0.002 0.000 1.898 51 A HA -0.127 4.193 4.320 0.001 0.000 0.216 51 A C 2.098 179.674 177.584 -0.013 0.000 1.181 51 A CA 1.498 53.533 52.037 -0.004 0.000 0.620 51 A CB -0.903 18.099 19.000 0.004 0.000 0.819 51 A HN 0.166 nan 8.150 nan 0.000 0.442 52 N N -0.919 117.774 118.700 -0.011 0.000 2.282 52 N HA 0.028 4.769 4.740 0.001 0.000 0.185 52 N C 0.475 175.969 175.510 -0.026 0.000 1.099 52 N CA 0.094 53.134 53.050 -0.016 0.000 0.878 52 N CB 0.052 38.535 38.487 -0.007 0.000 0.993 52 N HN 0.537 nan 8.380 nan 0.000 0.481 53 Q N 2.555 122.335 119.800 -0.032 0.000 2.239 53 Q HA -0.017 4.323 4.340 0.001 0.000 0.286 53 Q C -0.734 175.221 176.000 -0.075 0.000 1.102 53 Q CA 0.493 56.269 55.803 -0.045 0.000 0.936 53 Q CB 0.094 28.804 28.738 -0.046 0.000 1.127 53 Q HN 0.139 nan 8.270 nan 0.000 0.380 54 E N 4.448 124.612 120.200 -0.061 0.000 2.299 54 E HA 0.142 4.492 4.350 0.001 0.000 0.272 54 E C -0.463 176.077 176.600 -0.100 0.000 1.043 54 E CA 0.156 56.514 56.400 -0.070 0.000 0.895 54 E CB 0.590 30.261 29.700 -0.049 0.000 1.011 54 E HN 0.577 nan 8.360 nan 0.000 0.432 55 I N 3.528 124.016 120.570 -0.136 0.000 2.355 55 I HA 0.232 4.402 4.170 0.001 0.000 0.288 55 I C -0.058 175.992 176.117 -0.111 0.000 0.999 55 I CA -0.303 60.885 61.300 -0.187 0.000 1.163 55 I CB 0.978 38.748 38.000 -0.383 0.000 1.316 55 I HN 0.406 nan 8.210 nan 0.000 0.454 56 E N 6.608 126.766 120.200 -0.070 0.000 2.294 56 E HA 0.295 4.645 4.350 0.001 0.000 0.272 56 E C -1.015 175.572 176.600 -0.021 0.000 0.896 56 E CA -0.817 55.559 56.400 -0.041 0.000 0.802 56 E CB 2.260 31.930 29.700 -0.050 0.000 1.267 56 E HN 0.518 nan 8.360 nan 0.000 0.406 57 R N 0.270 120.781 120.500 0.019 0.000 2.538 57 R HA 0.162 4.502 4.340 0.001 0.000 0.282 57 R C 1.156 177.450 176.300 -0.009 0.000 1.009 57 R CA 1.174 57.292 56.100 0.031 0.000 1.063 57 R CB 0.167 30.504 30.300 0.061 0.000 0.945 57 R HN 0.897 nan 8.270 nan 0.000 0.414 58 G N 2.122 110.901 108.800 -0.033 0.000 2.189 58 G HA2 -0.356 3.604 3.960 0.001 0.000 0.267 58 G HA3 -0.356 3.604 3.960 0.001 0.000 0.267 58 G C 0.758 175.592 174.900 -0.111 0.000 0.975 58 G CA 0.852 45.914 45.100 -0.063 0.000 0.644 58 G HN 0.633 nan 8.290 nan 0.000 0.537 59 K N -0.555 119.771 120.400 -0.123 0.000 2.412 59 K HA 0.161 4.481 4.320 0.001 0.000 0.201 59 K C 1.444 177.914 176.600 -0.217 0.000 1.275 59 K CA 0.923 57.120 56.287 -0.150 0.000 0.910 59 K CB 0.399 32.844 32.500 -0.092 0.000 1.346 59 K HN 0.488 nan 8.250 nan 0.000 0.490 60 T N -1.033 113.415 114.554 -0.176 0.000 2.874 60 T HA 0.312 4.662 4.350 0.001 0.000 0.281 60 T C -0.407 174.146 174.700 -0.245 0.000 0.994 60 T CA -0.477 61.527 62.100 -0.159 0.000 1.015 60 T CB 0.658 69.478 68.868 -0.081 0.000 1.028 60 T HN -0.081 nan 8.240 nan 0.000 0.523 61 Y N 0.453 120.706 120.300 -0.078 0.000 2.331 61 Y HA 0.511 5.062 4.550 0.001 0.000 0.338 61 Y C 0.079 175.922 175.900 -0.095 0.000 0.992 61 Y CA -1.177 56.860 58.100 -0.105 0.000 1.121 61 Y CB 1.207 39.586 38.460 -0.135 0.000 1.184 61 Y HN 0.503 nan 8.280 nan 0.000 0.469 62 L N 5.022 126.275 121.223 0.050 0.000 2.312 62 L HA 0.548 4.888 4.340 0.001 0.000 0.281 62 L C -0.004 176.861 176.870 -0.007 0.000 1.070 62 L CA -0.774 54.079 54.840 0.021 0.000 0.805 62 L CB 0.746 42.829 42.059 0.040 0.000 1.174 62 L HN 0.462 nan 8.230 nan 0.000 0.434 63 R N 4.855 125.365 120.500 0.017 0.000 2.198 63 R HA 0.566 4.907 4.340 0.001 0.000 0.339 63 R C -0.875 175.474 176.300 0.082 0.000 1.020 63 R CA -0.471 55.645 56.100 0.027 0.000 0.864 63 R CB 0.954 31.276 30.300 0.035 0.000 1.105 63 R HN 0.539 nan 8.270 nan 0.000 0.463 64 L N 2.556 123.856 121.223 0.128 0.000 2.313 64 L HA 0.584 4.924 4.340 0.001 0.000 0.268 64 L C 0.328 177.360 176.870 0.269 0.000 1.010 64 L CA -1.252 53.721 54.840 0.221 0.000 0.814 64 L CB 1.352 43.586 42.059 0.291 0.000 1.304 64 L HN 0.287 nan 8.230 nan 0.000 0.441 65 R N 1.396 122.051 120.500 0.258 0.000 2.363 65 R HA 0.374 4.714 4.340 0.001 0.000 0.297 65 R C -2.603 173.821 176.300 0.206 0.000 1.208 65 R CA -2.072 54.160 56.100 0.221 0.000 1.121 65 R CB 0.876 31.288 30.300 0.187 0.000 1.124 65 R HN 0.230 nan 8.270 nan 0.000 0.561 66 P HA 0.076 nan 4.420 nan 0.000 0.269 66 P C 0.212 177.525 177.300 0.021 0.000 1.209 66 P CA -0.101 62.995 63.100 -0.007 0.000 0.776 66 P CB 1.008 32.622 31.700 -0.143 0.000 0.876 67 D N 1.471 121.872 120.400 0.003 0.000 2.213 67 D HA 0.005 4.646 4.640 0.001 0.000 0.205 67 D C 0.841 177.147 176.300 0.009 0.000 0.961 67 D CA 1.102 55.135 54.000 0.056 0.000 0.853 67 D CB 0.395 41.263 40.800 0.113 0.000 0.967 67 D HN 0.513 nan 8.370 nan 0.000 0.496 68 R N -1.299 119.168 120.500 -0.055 0.000 2.716 68 R HA 0.607 4.947 4.340 0.001 0.000 0.271 68 R C -1.765 174.457 176.300 -0.131 0.000 1.028 68 R CA -0.843 55.213 56.100 -0.073 0.000 0.883 68 R CB 1.348 31.616 30.300 -0.055 0.000 1.250 68 R HN -0.250 nan 8.270 nan 0.000 0.465 69 V N 0.543 120.373 119.914 -0.140 0.000 2.540 69 V HA 0.810 4.931 4.120 0.001 0.000 0.302 69 V C -0.670 175.340 176.094 -0.141 0.000 1.035 69 V CA -0.449 61.756 62.300 -0.159 0.000 0.873 69 V CB 1.595 33.322 31.823 -0.161 0.000 0.992 69 V HN 0.959 nan 8.190 nan 0.000 0.428 70 A N 6.164 128.908 122.820 -0.126 0.000 2.365 70 A HA 0.982 5.303 4.320 0.001 0.000 0.318 70 A C -0.811 176.745 177.584 -0.047 0.000 1.091 70 A CA -0.642 51.345 52.037 -0.083 0.000 0.763 70 A CB 1.607 20.530 19.000 -0.129 0.000 1.248 70 A HN 0.783 nan 8.150 nan 0.000 0.442 71 M N 1.544 121.161 119.600 0.029 0.000 2.464 71 M HA 0.366 4.846 4.480 0.001 0.000 0.308 71 M C -0.570 175.762 176.300 0.053 0.000 1.127 71 M CA -0.592 54.718 55.300 0.016 0.000 0.913 71 M CB 2.521 35.129 32.600 0.013 0.000 1.689 71 M HN 0.901 nan 8.290 nan 0.000 0.445 72 Q N 0.103 119.893 119.800 -0.017 0.000 2.180 72 Q HA 0.344 4.685 4.340 0.001 0.000 0.241 72 Q C 0.007 176.011 176.000 0.006 0.000 0.970 72 Q CA -0.797 54.997 55.803 -0.016 0.000 0.919 72 Q CB 0.839 29.497 28.738 -0.134 0.000 1.222 72 Q HN 0.658 nan 8.270 nan 0.000 0.482 73 D N 0.334 120.774 120.400 0.067 0.000 2.317 73 D HA -0.066 4.575 4.640 0.001 0.000 0.211 73 D C 1.186 177.540 176.300 0.090 0.000 0.966 73 D CA 0.989 55.066 54.000 0.128 0.000 0.876 73 D CB -0.323 40.614 40.800 0.228 0.000 0.927 73 D HN 0.554 nan 8.370 nan 0.000 0.519 74 A N 0.543 123.345 122.820 -0.030 0.000 2.067 74 A HA -0.006 4.314 4.320 0.001 0.000 0.217 74 A C 2.133 179.693 177.584 -0.039 0.000 1.156 74 A CA 1.717 53.721 52.037 -0.056 0.000 0.683 74 A CB -0.571 18.334 19.000 -0.158 0.000 0.808 74 A HN 0.405 nan 8.150 nan 0.000 0.455 75 T N -4.520 110.016 114.554 -0.031 0.000 3.010 75 T HA 0.490 4.841 4.350 0.001 0.000 0.257 75 T C 1.645 176.406 174.700 0.103 0.000 1.020 75 T CA 0.759 62.903 62.100 0.073 0.000 0.938 75 T CB 0.269 69.158 68.868 0.036 0.000 1.049 75 T HN 0.363 nan 8.240 nan 0.000 0.522 76 A N 1.803 124.677 122.820 0.090 0.000 2.014 76 A HA 0.011 4.332 4.320 0.001 0.000 0.218 76 A C 2.387 180.080 177.584 0.183 0.000 1.163 76 A CA 0.964 53.068 52.037 0.112 0.000 0.652 76 A CB -0.570 18.502 19.000 0.119 0.000 0.808 76 A HN 0.551 nan 8.150 nan 0.000 0.449 77 Q N -1.642 118.292 119.800 0.222 0.000 2.050 77 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 77 Q C 2.086 178.221 176.000 0.224 0.000 0.980 77 Q CA 1.833 57.809 55.803 0.288 0.000 0.840 77 Q CB -0.248 28.601 28.738 0.185 0.000 0.898 77 Q HN 0.621 nan 8.270 nan 0.000 0.424 78 M N 0.086 119.789 119.600 0.173 0.000 2.288 78 M HA 0.017 4.498 4.480 0.001 0.000 0.266 78 M C 1.847 178.189 176.300 0.069 0.000 1.072 78 M CA 1.244 56.600 55.300 0.093 0.000 1.132 78 M CB -0.181 32.449 32.600 0.049 0.000 1.386 78 M HN 0.175 nan 8.290 nan 0.000 0.432 79 A N -0.037 122.831 122.820 0.081 0.000 1.902 79 A HA -0.146 4.174 4.320 0.001 0.000 0.217 79 A C 2.046 179.674 177.584 0.073 0.000 1.181 79 A CA 1.786 53.852 52.037 0.048 0.000 0.623 79 A CB -0.558 18.453 19.000 0.018 0.000 0.818 79 A HN 0.490 nan 8.150 nan 0.000 0.443 80 M N -0.543 119.121 119.600 0.108 0.000 2.175 80 M HA 0.005 4.485 4.480 0.001 0.000 0.264 80 M C 2.131 178.542 176.300 0.184 0.000 1.063 80 M CA 1.126 56.503 55.300 0.127 0.000 1.119 80 M CB -1.447 31.236 32.600 0.138 0.000 1.377 80 M HN 0.372 nan 8.290 nan 0.000 0.415 81 L N -0.246 121.105 121.223 0.212 0.000 2.131 81 L HA -0.242 4.098 4.340 0.001 0.000 0.210 81 L C 2.537 179.428 176.870 0.034 0.000 1.092 81 L CA 1.229 56.149 54.840 0.134 0.000 0.759 81 L CB -0.505 41.581 42.059 0.045 0.000 0.903 81 L HN 0.408 nan 8.230 nan 0.000 0.435 82 Q N -1.368 118.443 119.800 0.019 0.000 2.172 82 Q HA -0.179 4.161 4.340 0.001 0.000 0.200 82 Q C 2.099 178.080 176.000 -0.032 0.000 0.964 82 Q CA 1.192 56.977 55.803 -0.029 0.000 0.855 82 Q CB -0.087 28.633 28.738 -0.031 0.000 0.918 82 Q HN 0.385 nan 8.270 nan 0.000 0.444 83 F N 1.354 121.221 119.950 -0.139 0.000 2.146 83 F HA -0.169 4.359 4.527 0.001 0.000 0.298 83 F C 1.876 177.524 175.800 -0.254 0.000 1.096 83 F CA 1.074 58.943 58.000 -0.218 0.000 1.275 83 F CB -0.081 38.732 39.000 -0.312 0.000 1.008 83 F HN -0.041 nan 8.300 nan 0.000 0.480 84 I N -0.564 119.891 120.570 -0.190 0.000 2.208 84 I HA -0.367 3.803 4.170 0.001 0.000 0.245 84 I C 2.260 178.278 176.117 -0.165 0.000 1.097 84 I CA 1.693 62.903 61.300 -0.149 0.000 1.363 84 I CB -0.708 37.320 38.000 0.047 0.000 1.051 84 I HN 0.056 nan 8.210 nan 0.000 0.413 85 S N 0.431 116.043 115.700 -0.147 0.000 2.447 85 S HA -0.132 4.339 4.470 0.001 0.000 0.233 85 S C 2.101 176.588 174.600 -0.187 0.000 1.006 85 S CA 1.292 59.407 58.200 -0.142 0.000 0.957 85 S CB -0.322 62.800 63.200 -0.130 0.000 0.773 85 S HN 0.633 nan 8.310 nan 0.000 0.507 86 S N 1.157 116.684 115.700 -0.288 0.000 2.402 86 S HA 0.155 4.625 4.470 0.001 0.000 0.229 86 S C 1.822 176.270 174.600 -0.254 0.000 1.021 86 S CA 1.112 59.137 58.200 -0.292 0.000 0.974 86 S CB -0.685 62.259 63.200 -0.427 0.000 0.800 86 S HN 0.868 nan 8.310 nan 0.000 0.484 87 G N 0.583 109.207 108.800 -0.292 0.000 2.176 87 G HA2 -0.178 3.783 3.960 0.001 0.000 0.232 87 G HA3 -0.178 3.783 3.960 0.001 0.000 0.232 87 G C -0.035 174.764 174.900 -0.169 0.000 0.986 87 G CA 0.062 45.057 45.100 -0.176 0.000 0.643 87 G HN 0.519 nan 8.290 nan 0.000 0.522 88 L N 1.567 122.597 121.223 -0.320 0.000 2.416 88 L HA 0.237 4.578 4.340 0.001 0.000 0.272 88 L C 0.035 176.920 176.870 0.025 0.000 1.161 88 L CA -1.053 53.677 54.840 -0.182 0.000 0.845 88 L CB 0.818 42.738 42.059 -0.231 0.000 1.119 88 L HN 0.039 nan 8.230 nan 0.000 0.464 89 P HA -0.052 nan 4.420 nan 0.000 0.224 89 P C -0.011 177.509 177.300 0.366 0.000 1.157 89 P CA 0.944 64.183 63.100 0.232 0.000 0.799 89 P CB 0.493 32.255 31.700 0.104 0.000 0.809 90 K N 0.534 121.156 120.400 0.370 0.000 2.532 90 K HA 0.360 4.680 4.320 0.001 0.000 0.265 90 K C -1.136 175.634 176.600 0.283 0.000 0.948 90 K CA -1.100 55.370 56.287 0.305 0.000 0.842 90 K CB 1.775 34.359 32.500 0.141 0.000 1.392 90 K HN -0.184 nan 8.250 nan 0.000 0.436 91 V N 1.499 121.474 119.914 0.101 0.000 2.637 91 V HA 0.551 4.672 4.120 0.001 0.000 0.296 91 V C 0.820 176.927 176.094 0.022 0.000 1.046 91 V CA 0.502 62.769 62.300 -0.055 0.000 1.066 91 V CB 0.715 32.408 31.823 -0.216 0.000 0.968 91 V HN 0.836 nan 8.190 nan 0.000 0.483 92 A N 3.962 126.803 122.820 0.036 0.000 2.218 92 A HA 0.534 4.854 4.320 0.001 0.000 0.209 92 A C 0.843 178.446 177.584 0.033 0.000 1.168 92 A CA 0.786 52.853 52.037 0.050 0.000 0.804 92 A CB -0.407 18.634 19.000 0.068 0.000 0.834 92 A HN 1.817 nan 8.150 nan 0.000 0.482 93 V N -4.964 114.953 119.914 0.005 0.000 3.040 93 V HA 0.632 4.752 4.120 0.001 0.000 0.312 93 V C -3.330 172.762 176.094 -0.004 0.000 1.115 93 V CA -3.035 59.269 62.300 0.007 0.000 0.998 93 V CB 1.363 33.182 31.823 -0.007 0.000 1.042 93 V HN 0.005 nan 8.190 nan 0.000 0.433 94 P HA 0.245 nan 4.420 nan 0.000 0.258 94 P C -0.458 176.818 177.300 -0.040 0.000 1.187 94 P CA 0.816 63.925 63.100 0.016 0.000 0.767 94 P CB 0.220 31.948 31.700 0.048 0.000 0.770 95 S N 1.582 117.250 115.700 -0.053 0.000 2.542 95 S HA 0.754 5.225 4.470 0.001 0.000 0.293 95 S C -0.240 174.321 174.600 -0.065 0.000 1.089 95 S CA -0.623 57.524 58.200 -0.089 0.000 0.961 95 S CB 1.804 64.932 63.200 -0.121 0.000 1.062 95 S HN 0.527 nan 8.310 nan 0.000 0.483 96 T N -0.644 113.872 114.554 -0.063 0.000 2.906 96 T HA 0.788 5.138 4.350 0.001 0.000 0.295 96 T C -0.747 173.967 174.700 0.023 0.000 1.061 96 T CA -0.706 61.392 62.100 -0.004 0.000 1.000 96 T CB 0.767 69.632 68.868 -0.004 0.000 1.103 96 T HN 0.465 nan 8.240 nan 0.000 0.486 97 I N 1.742 122.302 120.570 -0.016 0.000 2.509 97 I HA 0.405 4.575 4.170 0.001 0.000 0.293 97 I C -0.326 175.648 176.117 -0.237 0.000 1.020 97 I CA -0.983 60.313 61.300 -0.007 0.000 1.088 97 I CB 1.720 39.778 38.000 0.096 0.000 1.267 97 I HN 0.621 nan 8.210 nan 0.000 0.430 98 H N 4.570 123.588 119.070 -0.085 0.000 2.547 98 H HA 0.299 4.855 4.556 0.001 0.000 0.342 98 H C -1.169 174.081 175.328 -0.131 0.000 1.048 98 H CA -0.532 55.435 56.048 -0.135 0.000 1.204 98 H CB 2.127 31.785 29.762 -0.173 0.000 1.493 98 H HN 0.530 nan 8.280 nan 0.000 0.511 99 C N 3.860 123.088 119.300 -0.119 0.000 2.125 99 C HA 0.092 4.553 4.460 0.001 0.000 0.355 99 C C 1.153 176.129 174.990 -0.023 0.000 1.047 99 C CA -0.664 58.309 59.018 -0.076 0.000 1.501 99 C CB -1.176 26.383 27.740 -0.302 0.000 1.783 99 C HN 0.818 nan 8.230 nan 0.000 0.455 100 D N -0.695 119.744 120.400 0.065 0.000 2.489 100 D HA 0.002 4.642 4.640 0.001 0.000 0.231 100 D C 1.035 177.321 176.300 -0.023 0.000 1.114 100 D CA 0.414 54.419 54.000 0.008 0.000 0.842 100 D CB -0.245 40.532 40.800 -0.038 0.000 1.133 100 D HN 0.498 nan 8.370 nan 0.000 0.506 101 H N 0.113 119.191 119.070 0.014 0.000 2.547 101 H HA 0.388 4.945 4.556 0.001 0.000 0.272 101 H C 1.319 176.670 175.328 0.037 0.000 0.971 101 H CA 0.553 56.608 56.048 0.013 0.000 1.245 101 H CB 0.518 30.291 29.762 0.019 0.000 1.440 101 H HN 0.019 nan 8.280 nan 0.000 0.540 102 L N 0.921 122.247 121.223 0.173 0.000 2.685 102 L HA 0.250 4.590 4.340 0.001 0.000 0.233 102 L C -0.407 176.531 176.870 0.113 0.000 1.173 102 L CA 0.107 55.027 54.840 0.134 0.000 0.961 102 L CB 0.199 42.352 42.059 0.156 0.000 1.217 102 L HN 0.148 nan 8.230 nan 0.000 0.478 103 I N 0.395 121.014 120.570 0.080 0.000 2.371 103 I HA 0.149 4.319 4.170 0.001 0.000 0.282 103 I C 0.485 176.616 176.117 0.023 0.000 1.031 103 I CA -0.226 61.113 61.300 0.065 0.000 1.180 103 I CB 1.309 39.339 38.000 0.050 0.000 1.336 103 I HN 0.116 nan 8.210 nan 0.000 0.467 104 E N 5.056 125.275 120.200 0.033 0.000 2.344 104 E HA 0.367 4.717 4.350 0.001 0.000 0.270 104 E C -0.314 176.310 176.600 0.040 0.000 1.021 104 E CA -0.475 55.947 56.400 0.037 0.000 0.887 104 E CB 1.187 30.912 29.700 0.041 0.000 0.997 104 E HN 0.691 nan 8.360 nan 0.000 0.429 105 A N 4.402 127.252 122.820 0.050 0.000 2.309 105 A HA 0.129 4.450 4.320 0.001 0.000 0.290 105 A C 0.340 178.001 177.584 0.130 0.000 1.206 105 A CA -0.089 51.975 52.037 0.045 0.000 0.850 105 A CB 1.016 19.988 19.000 -0.047 0.000 1.118 105 A HN 0.888 nan 8.150 nan 0.000 0.523 106 Q N 1.705 121.560 119.800 0.093 0.000 2.452 106 Q HA 0.141 4.481 4.340 0.001 0.000 0.190 106 Q C 0.105 176.152 176.000 0.079 0.000 0.710 106 Q CA -0.021 55.847 55.803 0.108 0.000 0.917 106 Q CB 0.058 28.843 28.738 0.079 0.000 1.282 106 Q HN 0.596 nan 8.270 nan 0.000 0.447 107 L N 0.436 121.690 121.223 0.051 0.000 2.575 107 L HA 0.459 4.799 4.340 0.001 0.000 0.228 107 L C 0.567 177.452 176.870 0.026 0.000 1.075 107 L CA 1.591 56.454 54.840 0.039 0.000 0.867 107 L CB 1.152 43.230 42.059 0.032 0.000 1.097 107 L HN 0.426 nan 8.230 nan 0.000 0.485 108 G N -2.127 106.683 108.800 0.016 0.000 2.663 108 G HA2 0.310 4.271 3.960 0.001 0.000 0.686 108 G HA3 0.310 4.271 3.960 0.001 0.000 0.686 108 G C 0.578 175.477 174.900 -0.001 0.000 1.246 108 G CA -0.536 44.563 45.100 -0.001 0.000 0.795 108 G HN 0.680 nan 8.290 nan 0.000 0.627 109 G N 0.999 109.792 108.800 -0.012 0.000 2.693 109 G HA2 -0.166 3.794 3.960 0.001 0.000 0.354 109 G HA3 -0.166 3.794 3.960 0.001 0.000 0.354 109 G C 1.335 176.236 174.900 0.002 0.000 1.207 109 G CA 2.315 47.411 45.100 -0.007 0.000 0.958 109 G HN 2.419 nan 8.290 nan 0.000 0.560 110 E N 0.487 120.691 120.200 0.008 0.000 2.299 110 E HA 0.211 4.561 4.350 0.001 0.000 0.193 110 E C 2.184 178.795 176.600 0.018 0.000 0.998 110 E CA 1.404 57.812 56.400 0.013 0.000 0.851 110 E CB -0.152 29.556 29.700 0.014 0.000 0.795 110 E HN 0.658 nan 8.360 nan 0.000 0.492 111 K N 0.794 121.205 120.400 0.018 0.000 2.009 111 K HA -0.145 4.176 4.320 0.001 0.000 0.210 111 K C 1.528 178.144 176.600 0.026 0.000 1.049 111 K CA 1.735 58.035 56.287 0.022 0.000 0.929 111 K CB -0.169 32.344 32.500 0.021 0.000 0.714 111 K HN 0.137 nan 8.250 nan 0.000 0.440 112 D N 0.853 121.268 120.400 0.024 0.000 2.144 112 D HA -0.162 4.478 4.640 0.001 0.000 0.199 112 D C 1.859 178.182 176.300 0.038 0.000 0.984 112 D CA 0.784 54.801 54.000 0.029 0.000 0.834 112 D CB -0.210 40.603 40.800 0.022 0.000 0.955 112 D HN 0.026 nan 8.370 nan 0.000 0.465 113 L N 1.328 122.570 121.223 0.033 0.000 2.017 113 L HA -0.132 4.208 4.340 0.001 0.000 0.208 113 L C 2.229 179.135 176.870 0.059 0.000 1.073 113 L CA 1.614 56.480 54.840 0.042 0.000 0.745 113 L CB -0.294 41.780 42.059 0.024 0.000 0.894 113 L HN -0.139 nan 8.230 nan 0.000 0.432 114 R N -0.736 119.792 120.500 0.047 0.000 2.096 114 R HA -0.225 4.116 4.340 0.001 0.000 0.240 114 R C 2.467 178.802 176.300 0.058 0.000 1.139 114 R CA 1.956 58.086 56.100 0.050 0.000 0.952 114 R CB -0.564 29.758 30.300 0.036 0.000 0.854 114 R HN 0.410 nan 8.270 nan 0.000 0.436 115 R N 0.592 121.122 120.500 0.050 0.000 2.073 115 R HA -0.109 4.232 4.340 0.001 0.000 0.234 115 R C 2.234 178.569 176.300 0.059 0.000 1.134 115 R CA 1.511 57.638 56.100 0.045 0.000 0.952 115 R CB -0.282 30.038 30.300 0.034 0.000 0.850 115 R HN 0.234 nan 8.270 nan 0.000 0.433 116 A N 1.277 124.148 122.820 0.084 0.000 1.940 116 A HA -0.190 4.130 4.320 0.001 0.000 0.219 116 A C 1.958 179.672 177.584 0.216 0.000 1.176 116 A CA 1.635 53.750 52.037 0.130 0.000 0.631 116 A CB -0.337 18.767 19.000 0.174 0.000 0.814 116 A HN 0.350 nan 8.150 nan 0.000 0.446 117 K N -0.906 119.629 120.400 0.226 0.000 2.217 117 K HA -0.115 4.205 4.320 0.001 0.000 0.202 117 K C 1.636 178.338 176.600 0.171 0.000 1.051 117 K CA 1.154 57.616 56.287 0.292 0.000 0.952 117 K CB -0.097 32.518 32.500 0.192 0.000 0.736 117 K HN 0.573 nan 8.250 nan 0.000 0.453 118 D N 1.377 121.834 120.400 0.094 0.000 2.087 118 D HA -0.080 4.560 4.640 0.001 0.000 0.201 118 D C 1.774 178.081 176.300 0.013 0.000 0.980 118 D CA 1.021 55.051 54.000 0.050 0.000 0.849 118 D CB -0.105 40.716 40.800 0.035 0.000 1.001 118 D HN -0.012 nan 8.370 nan 0.000 0.452 119 I N 0.409 120.976 120.570 -0.005 0.000 2.185 119 I HA -0.272 3.898 4.170 0.001 0.000 0.246 119 I C 1.309 177.363 176.117 -0.105 0.000 1.088 119 I CA 1.204 62.476 61.300 -0.046 0.000 1.347 119 I CB -0.255 37.721 38.000 -0.039 0.000 1.041 119 I HN 0.161 nan 8.210 nan 0.000 0.415 120 N N -0.137 118.457 118.700 -0.178 0.000 2.203 120 N HA -0.014 4.727 4.740 0.001 0.000 0.207 120 N C 1.402 176.650 175.510 -0.437 0.000 1.130 120 N CA -0.003 52.809 53.050 -0.396 0.000 0.861 120 N CB 0.394 38.442 38.487 -0.732 0.000 1.005 120 N HN 0.456 nan 8.380 nan 0.000 0.507 121 Q N 1.441 121.150 119.800 -0.152 0.000 2.173 121 Q HA -0.217 4.123 4.340 0.001 0.000 0.208 121 Q C 1.625 177.631 176.000 0.011 0.000 0.989 121 Q CA 1.510 57.315 55.803 0.003 0.000 0.872 121 Q CB 0.096 28.861 28.738 0.045 0.000 0.909 121 Q HN 0.429 nan 8.270 nan 0.000 0.420 122 E N -0.780 119.406 120.200 -0.024 0.000 2.097 122 E HA -0.195 4.156 4.350 0.001 0.000 0.196 122 E C 1.895 178.529 176.600 0.056 0.000 1.000 122 E CA 1.432 57.842 56.400 0.015 0.000 0.804 122 E CB 0.127 29.822 29.700 -0.008 0.000 0.740 122 E HN 0.218 nan 8.360 nan 0.000 0.454 123 V N 0.103 120.007 119.914 -0.017 0.000 2.407 123 V HA -0.196 3.924 4.120 0.001 0.000 0.245 123 V C 1.873 178.114 176.094 0.245 0.000 1.041 123 V CA 1.427 63.763 62.300 0.059 0.000 1.040 123 V CB -0.465 31.297 31.823 -0.101 0.000 0.671 123 V HN 0.338 nan 8.190 nan 0.000 0.455 124 Y N 0.362 120.774 120.300 0.187 0.000 2.293 124 Y HA -0.134 4.416 4.550 0.001 0.000 0.291 124 Y C 2.351 178.314 175.900 0.105 0.000 1.137 124 Y CA 1.208 59.442 58.100 0.224 0.000 1.202 124 Y CB -1.147 37.446 38.460 0.221 0.000 0.990 124 Y HN 0.341 nan 8.280 nan 0.000 0.537 125 N N -0.349 118.487 118.700 0.227 0.000 2.142 125 N HA -0.194 4.547 4.740 0.001 0.000 0.186 125 N C 1.701 177.256 175.510 0.074 0.000 1.023 125 N CA 0.989 54.094 53.050 0.092 0.000 0.852 125 N CB -0.449 38.092 38.487 0.090 0.000 0.998 125 N HN 0.211 nan 8.380 nan 0.000 0.424 126 F N 0.917 120.888 119.950 0.036 0.000 2.075 126 F HA -0.053 4.474 4.527 0.001 0.000 0.297 126 F C 1.745 177.570 175.800 0.042 0.000 1.113 126 F CA 1.300 59.324 58.000 0.039 0.000 1.218 126 F CB -0.477 38.559 39.000 0.060 0.000 0.984 126 F HN 0.019 nan 8.300 nan 0.000 0.472 127 L N 0.135 121.364 121.223 0.010 0.000 2.017 127 L HA -0.196 4.144 4.340 0.001 0.000 0.208 127 L C 2.877 179.613 176.870 -0.223 0.000 1.073 127 L CA 1.270 56.094 54.840 -0.027 0.000 0.745 127 L CB -1.324 40.967 42.059 0.387 0.000 0.894 127 L HN 0.281 nan 8.230 nan 0.000 0.432 128 A N -0.343 122.171 122.820 -0.509 0.000 1.917 128 A HA -0.249 4.071 4.320 0.001 0.000 0.219 128 A C 2.341 179.624 177.584 -0.501 0.000 1.182 128 A CA 2.654 54.121 52.037 -0.950 0.000 0.633 128 A CB -1.008 17.404 19.000 -0.980 0.000 0.819 128 A HN 0.444 nan 8.150 nan 0.000 0.448 129 T N -0.214 114.134 114.554 -0.344 0.000 2.896 129 T HA 0.157 4.508 4.350 0.001 0.000 0.263 129 T C 2.187 176.738 174.700 -0.249 0.000 1.050 129 T CA 1.200 63.145 62.100 -0.258 0.000 1.140 129 T CB -0.317 68.443 68.868 -0.180 0.000 0.877 129 T HN 0.589 nan 8.240 nan 0.000 0.457 130 A N 1.473 124.109 122.820 -0.306 0.000 1.930 130 A HA 0.215 4.535 4.320 0.001 0.000 0.217 130 A C 2.534 180.100 177.584 -0.029 0.000 1.175 130 A CA 1.643 53.585 52.037 -0.157 0.000 0.627 130 A CB -1.305 17.460 19.000 -0.392 0.000 0.815 130 A HN 0.481 nan 8.150 nan 0.000 0.443 131 G N -0.150 108.567 108.800 -0.138 0.000 2.511 131 G HA2 -0.049 3.911 3.960 0.001 0.000 0.216 131 G HA3 -0.049 3.911 3.960 0.001 0.000 0.216 131 G C 1.816 176.631 174.900 -0.141 0.000 1.218 131 G CA 1.682 46.718 45.100 -0.105 0.000 0.788 131 G HN 0.837 nan 8.290 nan 0.000 0.560 132 A N 0.515 123.211 122.820 -0.208 0.000 1.948 132 A HA -0.103 4.217 4.320 0.001 0.000 0.220 132 A C 2.235 179.701 177.584 -0.196 0.000 1.177 132 A CA 2.329 54.246 52.037 -0.200 0.000 0.636 132 A CB -0.434 18.444 19.000 -0.204 0.000 0.815 132 A HN 0.458 nan 8.150 nan 0.000 0.449 133 K N -1.881 118.369 120.400 -0.250 0.000 2.062 133 K HA -0.115 4.205 4.320 0.001 0.000 0.205 133 K C 1.078 177.398 176.600 -0.467 0.000 1.051 133 K CA 1.471 57.519 56.287 -0.398 0.000 0.941 133 K CB -0.184 31.976 32.500 -0.567 0.000 0.719 133 K HN 0.562 nan 8.250 nan 0.000 0.440 134 Y N -0.568 119.699 120.300 -0.056 0.000 2.458 134 Y HA 0.284 4.834 4.550 0.001 0.000 0.256 134 Y C 0.774 176.629 175.900 -0.075 0.000 1.159 134 Y CA 0.173 58.260 58.100 -0.021 0.000 1.261 134 Y CB 1.260 39.722 38.460 0.004 0.000 1.119 134 Y HN 0.273 nan 8.280 nan 0.000 0.524 135 G N 0.766 109.559 108.800 -0.012 0.000 2.325 135 G HA2 -0.157 3.803 3.960 0.001 0.000 0.248 135 G HA3 -0.157 3.803 3.960 0.001 0.000 0.248 135 G C -0.837 174.018 174.900 -0.074 0.000 1.108 135 G CA -0.097 44.968 45.100 -0.057 0.000 0.881 135 G HN 0.099 nan 8.290 nan 0.000 0.494 136 V N -0.032 119.831 119.914 -0.085 0.000 2.540 136 V HA 0.846 4.966 4.120 0.001 0.000 0.302 136 V C 1.070 177.110 176.094 -0.089 0.000 1.035 136 V CA -0.191 62.064 62.300 -0.075 0.000 0.873 136 V CB 1.875 33.659 31.823 -0.065 0.000 0.992 136 V HN 0.892 nan 8.190 nan 0.000 0.428 137 G N 2.339 111.108 108.800 -0.051 0.000 2.503 137 G HA2 0.500 4.460 3.960 0.001 0.000 0.257 137 G HA3 0.500 4.460 3.960 0.001 0.000 0.257 137 G C -1.258 173.619 174.900 -0.038 0.000 1.214 137 G CA -0.057 44.997 45.100 -0.078 0.000 0.839 137 G HN 0.570 nan 8.290 nan 0.000 0.559 138 F N 0.980 120.646 119.950 -0.474 0.000 2.539 138 F HA 0.598 5.125 4.527 0.001 0.000 0.318 138 F C -1.506 174.086 175.800 -0.348 0.000 1.135 138 F CA -1.690 56.125 58.000 -0.309 0.000 0.915 138 F CB 1.502 40.328 39.000 -0.290 0.000 1.176 138 F HN 0.438 nan 8.300 nan 0.000 0.440 139 W N 7.171 128.039 121.300 -0.721 0.000 2.314 139 W HA 0.569 5.230 4.660 0.001 0.000 0.310 139 W C 0.125 176.170 176.519 -0.790 0.000 1.075 139 W CA -0.565 56.465 57.345 -0.524 0.000 1.253 139 W CB 1.027 30.234 29.460 -0.422 0.000 1.238 139 W HN 0.392 nan 8.180 nan 0.000 0.440 140 R N 4.205 124.488 120.500 -0.362 0.000 2.784 140 R HA 0.112 4.453 4.340 0.001 0.000 0.266 140 R C -1.956 174.182 176.300 -0.269 0.000 1.044 140 R CA -1.436 54.468 56.100 -0.328 0.000 1.151 140 R CB -0.350 29.930 30.300 -0.033 0.000 1.037 140 R HN 0.132 nan 8.270 nan 0.000 0.478 141 P HA -0.123 nan 4.420 nan 0.000 0.261 141 P C 0.491 177.719 177.300 -0.120 0.000 1.183 141 P CA 1.083 64.014 63.100 -0.282 0.000 0.761 141 P CB 0.566 31.994 31.700 -0.453 0.000 0.785 142 G N 2.885 111.643 108.800 -0.071 0.000 2.307 142 G HA2 -0.315 3.645 3.960 0.001 0.000 0.210 142 G HA3 -0.315 3.645 3.960 0.001 0.000 0.210 142 G C 1.376 176.275 174.900 -0.001 0.000 1.005 142 G CA 0.480 45.564 45.100 -0.026 0.000 0.634 142 G HN 0.544 nan 8.290 nan 0.000 0.496 143 S N 0.339 116.052 115.700 0.023 0.000 2.372 143 S HA 0.358 4.829 4.470 0.001 0.000 0.227 143 S C 1.760 176.370 174.600 0.017 0.000 1.044 143 S CA 2.114 60.371 58.200 0.095 0.000 1.050 143 S CB -0.265 63.077 63.200 0.237 0.000 0.901 143 S HN 2.612 nan 8.310 nan 0.000 0.447 144 G N -0.100 108.677 108.800 -0.037 0.000 2.368 144 G HA2 0.301 4.261 3.960 0.001 0.000 0.302 144 G HA3 0.301 4.261 3.960 0.001 0.000 0.302 144 G C -1.201 173.629 174.900 -0.116 0.000 1.329 144 G CA -0.728 44.323 45.100 -0.082 0.000 0.935 144 G HN 0.394 nan 8.290 nan 0.000 0.590 145 I N 1.478 121.959 120.570 -0.148 0.000 2.556 145 I HA 0.149 4.320 4.170 0.001 0.000 0.284 145 I C 2.192 178.140 176.117 -0.282 0.000 1.114 145 I CA -0.202 60.979 61.300 -0.198 0.000 1.418 145 I CB 1.194 39.081 38.000 -0.189 0.000 1.394 145 I HN 0.636 nan 8.210 nan 0.000 0.552 146 I N 5.476 125.796 120.570 -0.416 0.000 2.290 146 I HA -0.376 3.794 4.170 0.001 0.000 0.253 146 I C 1.962 177.717 176.117 -0.603 0.000 1.112 146 I CA 1.929 62.803 61.300 -0.710 0.000 1.377 146 I CB -0.115 37.423 38.000 -0.770 0.000 1.060 146 I HN 0.688 nan 8.210 nan 0.000 0.428 147 H N -0.470 118.464 119.070 -0.226 0.000 2.465 147 H HA -0.009 4.548 4.556 0.001 0.000 0.289 147 H C 2.067 177.313 175.328 -0.137 0.000 1.022 147 H CA 0.938 56.889 56.048 -0.162 0.000 1.340 147 H CB -0.171 29.526 29.762 -0.108 0.000 1.437 147 H HN 0.389 nan 8.280 nan 0.000 0.539 148 Q N 0.575 120.340 119.800 -0.058 0.000 2.046 148 Q HA -0.052 4.288 4.340 0.001 0.000 0.200 148 Q C 2.139 178.072 176.000 -0.112 0.000 0.975 148 Q CA 0.773 56.537 55.803 -0.065 0.000 0.836 148 Q CB -0.122 28.570 28.738 -0.077 0.000 0.896 148 Q HN 0.210 nan 8.270 nan 0.000 0.428 149 I N 0.313 120.758 120.570 -0.208 0.000 2.264 149 I HA -0.263 3.908 4.170 0.001 0.000 0.248 149 I C 2.107 178.138 176.117 -0.142 0.000 1.111 149 I CA 1.340 62.457 61.300 -0.304 0.000 1.382 149 I CB -1.035 36.647 38.000 -0.530 0.000 1.060 149 I HN 0.302 nan 8.210 nan 0.000 0.418 150 I N -0.230 120.304 120.570 -0.061 0.000 2.193 150 I HA -0.275 3.895 4.170 0.001 0.000 0.240 150 I C 2.533 178.706 176.117 0.092 0.000 1.084 150 I CA 0.918 62.293 61.300 0.124 0.000 1.365 150 I CB -0.207 37.815 38.000 0.035 0.000 1.064 150 I HN 0.139 nan 8.210 nan 0.000 0.410 151 L N 0.942 122.197 121.223 0.053 0.000 2.046 151 L HA -0.228 4.112 4.340 0.001 0.000 0.208 151 L C 2.337 179.308 176.870 0.169 0.000 1.077 151 L CA 1.890 56.787 54.840 0.096 0.000 0.747 151 L CB -0.413 41.670 42.059 0.041 0.000 0.896 151 L HN 0.180 nan 8.230 nan 0.000 0.432 152 E N -0.907 119.336 120.200 0.071 0.000 2.268 152 E HA -0.135 4.216 4.350 0.001 0.000 0.195 152 E C 1.167 177.691 176.600 -0.128 0.000 0.995 152 E CA 1.205 57.582 56.400 -0.039 0.000 0.836 152 E CB 0.018 29.630 29.700 -0.148 0.000 0.763 152 E HN 0.682 nan 8.360 nan 0.000 0.491 153 N N -1.740 116.866 118.700 -0.156 0.000 2.200 153 N HA 0.038 4.778 4.740 0.001 0.000 0.233 153 N C 0.621 175.895 175.510 -0.393 0.000 1.236 153 N CA 0.238 53.072 53.050 -0.360 0.000 0.845 153 N CB 0.545 38.688 38.487 -0.573 0.000 1.257 153 N HN 0.085 nan 8.380 nan 0.000 0.472 154 Y N 1.305 121.653 120.300 0.081 0.000 2.467 154 Y HA 0.459 5.009 4.550 0.001 0.000 0.259 154 Y C 0.931 176.884 175.900 0.089 0.000 1.084 154 Y CA -0.618 57.546 58.100 0.107 0.000 1.275 154 Y CB 0.309 38.822 38.460 0.089 0.000 1.208 154 Y HN -0.101 nan 8.280 nan 0.000 0.511 155 A N 1.323 124.259 122.820 0.192 0.000 2.454 155 A HA 0.485 4.805 4.320 0.001 0.000 0.260 155 A C -0.924 176.740 177.584 0.133 0.000 1.106 155 A CA 0.022 52.101 52.037 0.070 0.000 0.780 155 A CB -0.885 18.155 19.000 0.066 0.000 1.044 155 A HN 0.380 nan 8.150 nan 0.000 0.498 156 Y N -0.234 120.119 120.300 0.089 0.000 2.597 156 Y HA 0.670 5.220 4.550 0.001 0.000 0.340 156 Y C -3.283 172.678 175.900 0.102 0.000 1.097 156 Y CA -3.578 54.574 58.100 0.087 0.000 1.037 156 Y CB 0.224 38.720 38.460 0.060 0.000 1.305 156 Y HN 0.404 nan 8.280 nan 0.000 0.463 157 P HA 0.105 nan 4.420 nan 0.000 0.257 157 P C 0.839 178.319 177.300 0.300 0.000 1.162 157 P CA 3.146 66.350 63.100 0.173 0.000 0.762 157 P CB 0.220 31.874 31.700 -0.077 0.000 0.753 158 G N 1.606 110.514 108.800 0.181 0.000 2.176 158 G HA2 -0.247 3.714 3.960 0.001 0.000 0.253 158 G HA3 -0.247 3.714 3.960 0.001 0.000 0.253 158 G C 0.287 175.350 174.900 0.271 0.000 0.979 158 G CA -0.051 45.204 45.100 0.259 0.000 0.641 158 G HN 0.664 nan 8.290 nan 0.000 0.530 159 V N 0.657 120.531 119.914 -0.067 0.000 2.924 159 V HA 0.645 4.765 4.120 0.001 0.000 0.305 159 V C 0.384 176.366 176.094 -0.186 0.000 1.073 159 V CA 0.039 62.159 62.300 -0.300 0.000 1.098 159 V CB 1.500 32.768 31.823 -0.925 0.000 1.000 159 V HN 0.800 nan 8.190 nan 0.000 0.484 160 L N 7.554 128.595 121.223 -0.304 0.000 2.318 160 L HA 0.605 4.945 4.340 0.001 0.000 0.277 160 L C -0.943 175.772 176.870 -0.258 0.000 1.008 160 L CA 0.166 54.764 54.840 -0.404 0.000 0.846 160 L CB 1.095 42.661 42.059 -0.822 0.000 1.220 160 L HN 0.682 nan 8.230 nan 0.000 0.423 161 L N 6.544 127.644 121.223 -0.204 0.000 2.385 161 L HA 0.686 5.027 4.340 0.001 0.000 0.273 161 L C -0.899 175.845 176.870 -0.211 0.000 0.990 161 L CA -0.726 54.001 54.840 -0.189 0.000 0.821 161 L CB 1.776 43.740 42.059 -0.160 0.000 1.279 161 L HN 0.751 nan 8.230 nan 0.000 0.412 162 I N 1.377 121.781 120.570 -0.276 0.000 2.493 162 I HA 0.892 5.063 4.170 0.001 0.000 0.298 162 I C -0.217 175.768 176.117 -0.220 0.000 0.998 162 I CA -0.503 60.601 61.300 -0.327 0.000 1.137 162 I CB 1.891 39.505 38.000 -0.643 0.000 1.310 162 I HN 0.594 nan 8.210 nan 0.000 0.445 163 G N 2.280 110.992 108.800 -0.147 0.000 2.524 163 G HA2 0.512 4.472 3.960 0.001 0.000 0.310 163 G HA3 0.512 4.472 3.960 0.001 0.000 0.310 163 G C -0.339 174.526 174.900 -0.059 0.000 1.279 163 G CA -0.664 44.382 45.100 -0.090 0.000 0.974 163 G HN 0.786 nan 8.290 nan 0.000 0.484 164 T N -0.430 114.095 114.554 -0.049 0.000 3.688 164 T HA 0.450 4.800 4.350 0.001 0.000 0.307 164 T C -0.384 174.313 174.700 -0.004 0.000 1.382 164 T CA -0.477 61.609 62.100 -0.023 0.000 1.136 164 T CB -0.069 68.787 68.868 -0.020 0.000 1.207 164 T HN 0.510 nan 8.240 nan 0.000 0.854 165 D N 1.111 121.528 120.400 0.029 0.000 2.721 165 D HA 0.029 4.670 4.640 0.001 0.000 0.221 165 D C 0.667 177.007 176.300 0.068 0.000 1.208 165 D CA -0.201 53.843 54.000 0.074 0.000 0.755 165 D CB 1.702 42.598 40.800 0.160 0.000 1.732 165 D HN 0.367 nan 8.370 nan 0.000 0.490 166 S N 1.854 117.566 115.700 0.020 0.000 2.489 166 S HA -0.076 4.395 4.470 0.001 0.000 0.228 166 S C 1.092 175.573 174.600 -0.198 0.000 0.995 166 S CA 0.829 58.977 58.200 -0.087 0.000 0.934 166 S CB -0.318 62.800 63.200 -0.137 0.000 0.771 166 S HN 0.576 nan 8.310 nan 0.000 0.522 167 H N 1.054 120.130 119.070 0.011 0.000 2.555 167 H HA 0.257 4.814 4.556 0.001 0.000 0.283 167 H C 1.402 176.427 175.328 -0.506 0.000 1.037 167 H CA 0.625 56.574 56.048 -0.165 0.000 1.169 167 H CB -0.079 29.629 29.762 -0.089 0.000 1.375 167 H HN 0.379 nan 8.280 nan 0.000 0.582 168 T N 0.787 115.219 114.554 -0.204 0.000 2.881 168 T HA -0.098 4.252 4.350 0.001 0.000 0.270 168 T C -0.686 173.909 174.700 -0.175 0.000 1.068 168 T CA 0.578 62.559 62.100 -0.199 0.000 1.131 168 T CB -0.782 68.068 68.868 -0.029 0.000 0.871 168 T HN 0.363 nan 8.240 nan 0.000 0.479 169 P HA -0.146 nan 4.420 nan 0.000 0.219 169 P C 1.161 178.422 177.300 -0.066 0.000 1.145 169 P CA 0.952 64.017 63.100 -0.058 0.000 0.813 169 P CB -0.245 31.444 31.700 -0.018 0.000 0.771 170 N N -0.364 118.251 118.700 -0.142 0.000 2.133 170 N HA -0.188 4.552 4.740 0.001 0.000 0.193 170 N C 1.850 177.314 175.510 -0.077 0.000 1.012 170 N CA 1.859 54.834 53.050 -0.126 0.000 0.871 170 N CB -1.004 37.357 38.487 -0.210 0.000 1.011 170 N HN 0.074 nan 8.380 nan 0.000 0.435 171 G N -0.998 107.762 108.800 -0.067 0.000 2.479 171 G HA2 -0.177 3.783 3.960 0.001 0.000 0.220 171 G HA3 -0.177 3.783 3.960 0.001 0.000 0.220 171 G C 1.434 176.328 174.900 -0.009 0.000 1.115 171 G CA 0.742 45.821 45.100 -0.035 0.000 0.757 171 G HN 0.465 nan 8.290 nan 0.000 0.560 172 G N 0.814 109.623 108.800 0.015 0.000 2.479 172 G HA2 0.030 3.991 3.960 0.001 0.000 0.220 172 G HA3 0.030 3.991 3.960 0.001 0.000 0.220 172 G C 1.654 176.626 174.900 0.121 0.000 1.115 172 G CA 1.121 46.268 45.100 0.079 0.000 0.757 172 G HN 0.549 nan 8.290 nan 0.000 0.560 173 G N -0.005 108.813 108.800 0.030 0.000 2.498 173 G HA2 -0.026 3.935 3.960 0.001 0.000 0.219 173 G HA3 -0.026 3.935 3.960 0.001 0.000 0.219 173 G C 1.100 175.954 174.900 -0.076 0.000 1.119 173 G CA 0.458 45.508 45.100 -0.083 0.000 0.766 173 G HN 0.400 nan 8.290 nan 0.000 0.552 174 L N 0.180 121.404 121.223 0.002 0.000 3.110 174 L HA 0.476 4.816 4.340 0.001 0.000 0.266 174 L C 1.446 178.389 176.870 0.120 0.000 1.257 174 L CA 0.372 55.251 54.840 0.065 0.000 1.038 174 L CB 0.179 42.281 42.059 0.071 0.000 1.395 174 L HN 0.276 nan 8.230 nan 0.000 0.566 175 G N -0.968 107.914 108.800 0.136 0.000 2.143 175 G HA2 -0.209 3.751 3.960 0.001 0.000 0.248 175 G HA3 -0.209 3.751 3.960 0.001 0.000 0.248 175 G C 0.574 175.536 174.900 0.104 0.000 0.991 175 G CA 0.069 45.263 45.100 0.157 0.000 0.689 175 G HN 0.790 nan 8.290 nan 0.000 0.522 176 G N -0.990 107.843 108.800 0.055 0.000 2.471 176 G HA2 0.632 4.593 3.960 0.001 0.000 0.332 176 G HA3 0.632 4.593 3.960 0.001 0.000 0.332 176 G C -0.179 174.723 174.900 0.003 0.000 1.176 176 G CA -0.982 44.118 45.100 -0.000 0.000 0.949 176 G HN 0.301 nan 8.290 nan 0.000 0.488 177 I N 0.995 121.551 120.570 -0.023 0.000 2.282 177 I HA 0.219 4.390 4.170 0.001 0.000 0.290 177 I C -0.299 175.786 176.117 -0.053 0.000 1.090 177 I CA -0.718 60.569 61.300 -0.021 0.000 1.231 177 I CB 0.131 38.122 38.000 -0.015 0.000 1.434 177 I HN 0.138 nan 8.210 nan 0.000 0.487 178 C N 7.712 126.989 119.300 -0.038 0.000 2.271 178 C HA 0.595 5.055 4.460 0.001 0.000 0.323 178 C C 0.510 175.481 174.990 -0.032 0.000 1.245 178 C CA -0.744 58.239 59.018 -0.058 0.000 1.548 178 C CB 0.059 27.763 27.740 -0.061 0.000 2.214 178 C HN 0.517 nan 8.230 nan 0.000 0.477 179 I N 2.387 122.937 120.570 -0.033 0.000 2.509 179 I HA 0.513 4.683 4.170 0.001 0.000 0.293 179 I C 0.835 176.949 176.117 -0.006 0.000 1.020 179 I CA 0.005 61.318 61.300 0.022 0.000 1.088 179 I CB 1.695 39.783 38.000 0.146 0.000 1.267 179 I HN 0.789 nan 8.210 nan 0.000 0.430 180 G N 5.189 114.002 108.800 0.021 0.000 2.390 180 G HA2 0.547 4.508 3.960 0.001 0.000 0.270 180 G HA3 0.547 4.508 3.960 0.001 0.000 0.270 180 G C -0.339 174.593 174.900 0.053 0.000 1.211 180 G CA -0.207 44.902 45.100 0.015 0.000 0.842 180 G HN 0.522 nan 8.290 nan 0.000 0.519 181 V N 0.098 120.026 119.914 0.024 0.000 3.105 181 V HA 1.010 5.130 4.120 0.001 0.000 0.311 181 V C 0.507 176.628 176.094 0.045 0.000 1.287 181 V CA -0.618 61.720 62.300 0.062 0.000 1.066 181 V CB 1.343 33.174 31.823 0.014 0.000 1.105 181 V HN 1.043 nan 8.190 nan 0.000 0.462 182 G N -0.880 107.954 108.800 0.057 0.000 2.441 182 G HA2 0.528 4.489 3.960 0.001 0.000 0.334 182 G HA3 0.528 4.489 3.960 0.001 0.000 0.334 182 G C 0.859 175.767 174.900 0.012 0.000 1.161 182 G CA -0.129 44.999 45.100 0.046 0.000 0.935 182 G HN 1.431 nan 8.290 nan 0.000 0.488 183 G N 0.537 109.343 108.800 0.010 0.000 2.547 183 G HA2 -0.118 3.842 3.960 0.001 0.000 0.221 183 G HA3 -0.118 3.842 3.960 0.001 0.000 0.221 183 G C 1.896 176.781 174.900 -0.026 0.000 1.140 183 G CA 1.914 47.010 45.100 -0.007 0.000 0.760 183 G HN 1.063 nan 8.290 nan 0.000 0.583 184 A N 0.286 123.081 122.820 -0.042 0.000 2.067 184 A HA 0.051 4.371 4.320 0.001 0.000 0.219 184 A C 2.063 179.610 177.584 -0.062 0.000 1.158 184 A CA 1.974 53.965 52.037 -0.076 0.000 0.661 184 A CB -0.233 18.683 19.000 -0.140 0.000 0.801 184 A HN 0.292 nan 8.150 nan 0.000 0.452 185 D N 0.115 120.507 120.400 -0.014 0.000 2.103 185 D HA 0.018 4.658 4.640 0.001 0.000 0.199 185 D C 2.293 178.564 176.300 -0.050 0.000 0.978 185 D CA 1.465 55.499 54.000 0.058 0.000 0.829 185 D CB -0.355 40.540 40.800 0.159 0.000 0.981 185 D HN 0.365 nan 8.370 nan 0.000 0.464 186 A N 0.457 123.216 122.820 -0.102 0.000 1.908 186 A HA -0.163 4.157 4.320 0.001 0.000 0.218 186 A C 2.482 180.017 177.584 -0.082 0.000 1.181 186 A CA 1.373 53.328 52.037 -0.137 0.000 0.627 186 A CB -0.875 18.053 19.000 -0.120 0.000 0.818 186 A HN 0.144 nan 8.150 nan 0.000 0.445 187 V N 0.820 120.721 119.914 -0.022 0.000 2.282 187 V HA -0.322 3.798 4.120 0.001 0.000 0.249 187 V C 2.241 178.383 176.094 0.081 0.000 1.057 187 V CA 2.437 64.780 62.300 0.071 0.000 1.032 187 V CB -0.891 30.978 31.823 0.076 0.000 0.645 187 V HN 0.533 nan 8.190 nan 0.000 0.447 188 D N -0.095 120.332 120.400 0.045 0.000 2.116 188 D HA -0.153 4.487 4.640 0.001 0.000 0.193 188 D C 2.114 178.464 176.300 0.082 0.000 0.998 188 D CA 1.585 55.632 54.000 0.078 0.000 0.836 188 D CB -0.352 40.526 40.800 0.130 0.000 0.951 188 D HN 0.364 nan 8.370 nan 0.000 0.449 189 V N 0.777 120.710 119.914 0.031 0.000 2.488 189 V HA -0.147 3.974 4.120 0.001 0.000 0.246 189 V C 2.484 178.575 176.094 -0.004 0.000 1.046 189 V CA 0.962 63.265 62.300 0.004 0.000 1.053 189 V CB -0.304 31.455 31.823 -0.108 0.000 0.679 189 V HN 0.198 nan 8.190 nan 0.000 0.458 190 M N -0.060 119.520 119.600 -0.033 0.000 2.213 190 M HA -0.126 4.354 4.480 0.001 0.000 0.263 190 M C 2.111 178.469 176.300 0.096 0.000 1.062 190 M CA 1.951 57.206 55.300 -0.076 0.000 1.105 190 M CB -0.404 32.023 32.600 -0.288 0.000 1.385 190 M HN 0.403 nan 8.290 nan 0.000 0.417 191 A N -0.687 122.251 122.820 0.196 0.000 2.178 191 A HA 0.355 4.675 4.320 0.001 0.000 0.211 191 A C 1.633 179.293 177.584 0.126 0.000 1.157 191 A CA 0.928 53.096 52.037 0.219 0.000 0.780 191 A CB -0.410 18.692 19.000 0.171 0.000 0.828 191 A HN 0.624 nan 8.150 nan 0.000 0.476 192 G N -0.491 108.368 108.800 0.099 0.000 2.144 192 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 192 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 192 G C 0.204 175.157 174.900 0.090 0.000 0.988 192 G CA 0.146 45.298 45.100 0.086 0.000 0.659 192 G HN 1.233 nan 8.290 nan 0.000 0.522 193 I N -1.923 118.708 120.570 0.101 0.000 2.664 193 I HA 0.769 4.939 4.170 0.001 0.000 0.308 193 I C -2.186 174.016 176.117 0.142 0.000 0.984 193 I CA -3.086 58.280 61.300 0.109 0.000 1.213 193 I CB 1.040 39.104 38.000 0.107 0.000 1.379 193 I HN -0.160 nan 8.210 nan 0.000 0.501 194 P HA -0.067 nan 4.420 nan 0.000 0.261 194 P C -1.430 176.007 177.300 0.229 0.000 1.183 194 P CA 0.349 63.546 63.100 0.161 0.000 0.761 194 P CB 0.110 31.876 31.700 0.110 0.000 0.785 195 W N 4.787 126.129 121.300 0.070 0.000 2.316 195 W HA 0.237 4.898 4.660 0.001 0.000 0.311 195 W C -0.369 176.203 176.519 0.088 0.000 1.217 195 W CA -0.457 56.931 57.345 0.073 0.000 1.199 195 W CB 0.585 30.078 29.460 0.055 0.000 1.202 195 W HN 0.371 nan 8.180 nan 0.000 0.528 196 E N 5.159 125.080 120.200 -0.464 0.000 2.191 196 E HA 0.441 4.792 4.350 0.001 0.000 0.278 196 E C -1.422 174.743 176.600 -0.726 0.000 0.972 196 E CA -1.128 55.011 56.400 -0.435 0.000 0.804 196 E CB 2.001 31.553 29.700 -0.246 0.000 1.110 196 E HN 0.367 nan 8.360 nan 0.000 0.394 197 L N 2.590 123.505 121.223 -0.514 0.000 2.408 197 L HA 0.367 4.707 4.340 0.001 0.000 0.268 197 L C -0.945 175.876 176.870 -0.080 0.000 0.986 197 L CA -0.916 53.686 54.840 -0.397 0.000 0.820 197 L CB 1.599 43.310 42.059 -0.580 0.000 1.303 197 L HN 0.238 nan 8.230 nan 0.000 0.411 198 K N 3.756 124.119 120.400 -0.060 0.000 2.416 198 K HA 0.144 4.464 4.320 0.001 0.000 0.283 198 K C -0.488 176.022 176.600 -0.150 0.000 1.037 198 K CA 0.138 56.260 56.287 -0.275 0.000 0.995 198 K CB 0.242 32.554 32.500 -0.313 0.000 0.938 198 K HN 0.731 nan 8.250 nan 0.000 0.475 199 C N 8.868 128.086 119.300 -0.136 0.000 2.592 199 C HA 0.228 4.688 4.460 0.001 0.000 0.408 199 C C -1.946 173.039 174.990 -0.009 0.000 1.436 199 C CA -1.455 57.552 59.018 -0.018 0.000 1.595 199 C CB -0.733 27.010 27.740 0.005 0.000 2.487 199 C HN 0.733 nan 8.230 nan 0.000 0.610 200 P HA 0.307 nan 4.420 nan 0.000 0.278 200 P C -0.792 176.525 177.300 0.027 0.000 1.258 200 P CA -0.283 62.824 63.100 0.012 0.000 0.811 200 P CB 0.712 32.419 31.700 0.012 0.000 1.063 201 K N 0.132 120.543 120.400 0.018 0.000 2.155 201 K HA 0.528 4.849 4.320 0.001 0.000 0.237 201 K C -0.320 176.296 176.600 0.026 0.000 1.040 201 K CA -0.752 55.554 56.287 0.031 0.000 0.912 201 K CB 0.283 32.795 32.500 0.020 0.000 1.137 201 K HN 0.240 nan 8.250 nan 0.000 0.498 202 V N 1.643 121.578 119.914 0.036 0.000 2.569 202 V HA 0.381 4.501 4.120 0.001 0.000 0.301 202 V C -0.302 175.779 176.094 -0.022 0.000 1.044 202 V CA -0.740 61.576 62.300 0.026 0.000 0.874 202 V CB 1.664 33.562 31.823 0.124 0.000 1.002 202 V HN 0.529 nan 8.190 nan 0.000 0.424 203 I N 3.471 123.960 120.570 -0.135 0.000 2.359 203 I HA 0.656 4.826 4.170 0.001 0.000 0.294 203 I C 0.830 176.676 176.117 -0.453 0.000 0.987 203 I CA -0.150 61.022 61.300 -0.214 0.000 1.225 203 I CB 1.820 39.707 38.000 -0.187 0.000 1.366 203 I HN 0.740 nan 8.210 nan 0.000 0.466 204 G N 5.560 113.965 108.800 -0.659 0.000 2.343 204 G HA2 0.570 4.530 3.960 0.001 0.000 0.319 204 G HA3 0.570 4.530 3.960 0.001 0.000 0.319 204 G C -0.894 173.684 174.900 -0.537 0.000 1.126 204 G CA -0.319 44.182 45.100 -0.998 0.000 0.889 204 G HN 0.340 nan 8.290 nan 0.000 0.457 205 V N 2.322 121.858 119.914 -0.630 0.000 2.398 205 V HA 0.376 4.497 4.120 0.001 0.000 0.286 205 V C 0.258 175.948 176.094 -0.674 0.000 1.026 205 V CA -0.860 61.107 62.300 -0.554 0.000 0.868 205 V CB 1.492 32.902 31.823 -0.688 0.000 0.982 205 V HN 0.772 nan 8.190 nan 0.000 0.443 206 K N 5.606 125.704 120.400 -0.503 0.000 2.234 206 K HA 0.590 4.910 4.320 0.001 0.000 0.277 206 K C -1.062 175.404 176.600 -0.222 0.000 1.038 206 K CA -0.489 55.483 56.287 -0.525 0.000 0.888 206 K CB 0.755 33.126 32.500 -0.215 0.000 1.091 206 K HN 0.617 nan 8.250 nan 0.000 0.467 207 L N 3.332 124.460 121.223 -0.160 0.000 2.307 207 L HA 0.419 4.760 4.340 0.001 0.000 0.282 207 L C 0.006 176.874 176.870 -0.002 0.000 1.051 207 L CA -0.570 54.255 54.840 -0.025 0.000 0.804 207 L CB 1.961 44.053 42.059 0.055 0.000 1.197 207 L HN 0.709 nan 8.230 nan 0.000 0.431 208 T N 1.114 115.676 114.554 0.013 0.000 2.903 208 T HA 0.724 5.074 4.350 0.001 0.000 0.299 208 T C -0.020 174.696 174.700 0.027 0.000 1.093 208 T CA 0.357 62.470 62.100 0.021 0.000 1.002 208 T CB 2.000 70.876 68.868 0.014 0.000 1.127 208 T HN 1.027 nan 8.240 nan 0.000 0.488 209 G N 2.089 110.906 108.800 0.028 0.000 2.632 209 G HA2 0.075 4.035 3.960 0.001 0.000 0.224 209 G HA3 0.075 4.035 3.960 0.001 0.000 0.224 209 G C -0.430 174.487 174.900 0.028 0.000 1.341 209 G CA -0.163 44.953 45.100 0.027 0.000 0.880 209 G HN 1.745 nan 8.290 nan 0.000 0.566 210 S N -1.424 114.291 115.700 0.025 0.000 2.536 210 S HA 0.688 5.158 4.470 0.001 0.000 0.271 210 S C -0.310 174.303 174.600 0.021 0.000 1.134 210 S CA -0.665 57.548 58.200 0.022 0.000 0.897 210 S CB 1.809 65.020 63.200 0.019 0.000 1.094 210 S HN 1.202 nan 8.310 nan 0.000 0.473 211 L N 3.055 124.288 121.223 0.017 0.000 2.578 211 L HA 0.280 4.620 4.340 0.001 0.000 0.279 211 L C 0.359 177.238 176.870 0.014 0.000 1.227 211 L CA 0.316 55.167 54.840 0.019 0.000 0.900 211 L CB 0.211 42.275 42.059 0.010 0.000 1.144 211 L HN 0.931 nan 8.230 nan 0.000 0.496 212 S N 1.429 117.143 115.700 0.024 0.000 2.557 212 S HA 0.833 5.303 4.470 0.001 0.000 0.291 212 S C 0.248 174.861 174.600 0.022 0.000 1.116 212 S CA -0.242 57.967 58.200 0.015 0.000 0.992 212 S CB 2.061 65.272 63.200 0.019 0.000 1.028 212 S HN 1.130 nan 8.310 nan 0.000 0.484 213 G N 2.280 111.067 108.800 -0.022 0.000 2.543 213 G HA2 -0.327 3.633 3.960 0.001 0.000 0.286 213 G HA3 -0.327 3.633 3.960 0.001 0.000 0.286 213 G C 0.350 175.199 174.900 -0.086 0.000 1.153 213 G CA 0.438 45.502 45.100 -0.061 0.000 0.968 213 G HN 0.781 nan 8.290 nan 0.000 0.544 214 W N 1.942 123.228 121.300 -0.022 0.000 2.519 214 W HA 0.269 4.929 4.660 0.000 0.000 0.266 214 W C 1.866 178.377 176.519 -0.012 0.000 1.253 214 W CA 1.134 58.464 57.345 -0.024 0.000 1.274 214 W CB -0.263 29.173 29.460 -0.040 0.000 1.114 214 W HN 0.482 nan 8.180 nan 0.000 0.596 215 T N 1.135 115.813 114.554 0.207 0.000 2.930 215 T HA 0.269 4.619 4.350 0.001 0.000 0.306 215 T C 0.415 175.165 174.700 0.083 0.000 1.045 215 T CA 0.185 62.366 62.100 0.134 0.000 1.134 215 T CB 0.916 69.845 68.868 0.102 0.000 0.961 215 T HN 0.007 nan 8.240 nan 0.000 0.545 216 S N 1.996 117.740 115.700 0.073 0.000 2.794 216 S HA 0.545 5.015 4.470 0.001 0.000 0.299 216 S C -2.471 172.140 174.600 0.019 0.000 1.179 216 S CA -1.535 56.687 58.200 0.036 0.000 0.838 216 S CB 1.233 64.459 63.200 0.044 0.000 1.206 216 S HN 0.274 nan 8.310 nan 0.000 0.523 217 P HA -0.083 nan 4.420 nan 0.000 0.216 217 P C 1.294 178.586 177.300 -0.014 0.000 1.150 217 P CA 1.342 64.424 63.100 -0.030 0.000 0.843 217 P CB 0.041 31.699 31.700 -0.070 0.000 0.787 218 K N 0.212 120.614 120.400 0.003 0.000 2.057 218 K HA -0.160 4.161 4.320 0.001 0.000 0.207 218 K C 1.643 178.256 176.600 0.023 0.000 1.049 218 K CA 1.695 57.990 56.287 0.014 0.000 0.931 218 K CB -1.159 31.358 32.500 0.028 0.000 0.714 218 K HN 0.011 nan 8.250 nan 0.000 0.440 219 D N -0.157 120.269 120.400 0.042 0.000 2.190 219 D HA -0.151 4.489 4.640 0.001 0.000 0.200 219 D C 1.803 178.089 176.300 -0.023 0.000 0.992 219 D CA 1.299 55.325 54.000 0.043 0.000 0.854 219 D CB -0.030 40.829 40.800 0.097 0.000 0.936 219 D HN 0.087 nan 8.370 nan 0.000 0.462 220 V N 0.853 120.766 119.914 -0.001 0.000 2.358 220 V HA -0.178 3.943 4.120 0.001 0.000 0.246 220 V C 2.344 178.442 176.094 0.008 0.000 1.047 220 V CA 0.923 63.226 62.300 0.005 0.000 1.035 220 V CB -0.173 31.672 31.823 0.037 0.000 0.658 220 V HN 0.106 nan 8.190 nan 0.000 0.452 221 I N -0.855 119.723 120.570 0.012 0.000 2.716 221 I HA -0.021 4.149 4.170 0.001 0.000 0.259 221 I C 1.977 178.090 176.117 -0.006 0.000 1.172 221 I CA 1.248 62.566 61.300 0.030 0.000 1.478 221 I CB -0.090 37.933 38.000 0.038 0.000 1.104 221 I HN 0.129 nan 8.210 nan 0.000 0.439 222 L N 0.208 121.413 121.223 -0.031 0.000 2.046 222 L HA -0.216 4.124 4.340 0.001 0.000 0.208 222 L C 2.471 179.254 176.870 -0.146 0.000 1.077 222 L CA 1.569 56.378 54.840 -0.051 0.000 0.747 222 L CB -0.696 41.360 42.059 -0.005 0.000 0.896 222 L HN 0.200 nan 8.230 nan 0.000 0.432 223 K N 0.105 120.351 120.400 -0.258 0.000 2.062 223 K HA -0.104 4.217 4.320 0.001 0.000 0.205 223 K C 1.865 178.393 176.600 -0.121 0.000 1.051 223 K CA 1.116 57.227 56.287 -0.293 0.000 0.941 223 K CB -0.192 32.104 32.500 -0.341 0.000 0.719 223 K HN -0.002 nan 8.250 nan 0.000 0.440 224 V N 1.125 121.004 119.914 -0.059 0.000 2.343 224 V HA -0.244 3.876 4.120 0.001 0.000 0.247 224 V C 2.344 178.427 176.094 -0.018 0.000 1.051 224 V CA 1.945 64.230 62.300 -0.025 0.000 1.036 224 V CB -0.853 30.984 31.823 0.022 0.000 0.654 224 V HN 0.504 nan 8.190 nan 0.000 0.451 225 A N 0.600 123.414 122.820 -0.010 0.000 1.877 225 A HA -0.114 4.207 4.320 0.001 0.000 0.216 225 A C 2.461 180.044 177.584 -0.003 0.000 1.186 225 A CA 2.024 54.063 52.037 0.003 0.000 0.620 225 A CB -1.350 17.657 19.000 0.011 0.000 0.822 225 A HN 0.520 nan 8.150 nan 0.000 0.443 226 G N -0.062 108.725 108.800 -0.021 0.000 2.440 226 G HA2 -0.220 3.740 3.960 0.001 0.000 0.218 226 G HA3 -0.220 3.740 3.960 0.001 0.000 0.218 226 G C 1.536 176.434 174.900 -0.004 0.000 1.154 226 G CA 1.245 46.337 45.100 -0.012 0.000 0.767 226 G HN 0.488 nan 8.290 nan 0.000 0.552 227 I N -0.474 120.086 120.570 -0.016 0.000 2.133 227 I HA -0.056 4.115 4.170 0.001 0.000 0.238 227 I C 2.414 178.526 176.117 -0.008 0.000 1.074 227 I CA 0.602 61.895 61.300 -0.012 0.000 1.342 227 I CB -0.119 37.866 38.000 -0.025 0.000 1.053 227 I HN 0.092 nan 8.210 nan 0.000 0.404 228 L N 0.265 121.480 121.223 -0.012 0.000 2.446 228 L HA 0.069 4.409 4.340 0.001 0.000 0.219 228 L C 0.925 177.797 176.870 0.003 0.000 1.116 228 L CA 1.174 56.007 54.840 -0.011 0.000 0.844 228 L CB -0.751 41.294 42.059 -0.023 0.000 0.970 228 L HN 0.650 nan 8.230 nan 0.000 0.457 229 T N -4.935 109.626 114.554 0.011 0.000 0.541 229 T HA -0.241 4.110 4.350 0.001 0.000 0.774 229 T C 0.973 175.692 174.700 0.032 0.000 0.992 229 T CA 0.823 62.937 62.100 0.023 0.000 4.077 229 T CB -1.304 67.578 68.868 0.023 0.000 2.303 229 T HN 0.593 nan 8.240 nan 0.000 0.398 230 V N -0.026 119.915 119.914 0.046 0.000 3.026 230 V HA 0.068 4.189 4.120 0.001 0.000 0.265 230 V C 2.015 178.136 176.094 0.045 0.000 1.121 230 V CA 2.081 64.416 62.300 0.059 0.000 1.142 230 V CB -1.337 30.538 31.823 0.087 0.000 0.730 230 V HN 1.162 nan 8.190 nan 0.000 0.503 231 K N 0.068 120.486 120.400 0.031 0.000 2.387 231 K HA 0.448 4.768 4.320 0.001 0.000 0.203 231 K C 1.722 178.335 176.600 0.021 0.000 1.030 231 K CA 0.546 56.849 56.287 0.027 0.000 1.099 231 K CB 0.483 32.994 32.500 0.019 0.000 0.863 231 K HN 0.263 nan 8.250 nan 0.000 0.529 232 G N 1.248 110.058 108.800 0.016 0.000 2.403 232 G HA2 -0.138 3.822 3.960 0.001 0.000 0.216 232 G HA3 -0.138 3.822 3.960 0.001 0.000 0.216 232 G C 1.310 176.211 174.900 0.001 0.000 1.154 232 G CA 0.607 45.711 45.100 0.006 0.000 0.784 232 G HN 0.417 nan 8.290 nan 0.000 0.538 233 G N -0.044 108.759 108.800 0.005 0.000 2.985 233 G HA2 0.218 4.179 3.960 0.001 0.000 0.209 233 G HA3 0.218 4.179 3.960 0.001 0.000 0.209 233 G C 0.649 175.556 174.900 0.010 0.000 1.165 233 G CA 0.235 45.334 45.100 -0.002 0.000 0.776 233 G HN 0.288 nan 8.290 nan 0.000 0.541 234 T N 1.066 115.634 114.554 0.022 0.000 2.849 234 T HA 0.346 4.697 4.350 0.001 0.000 0.289 234 T C 1.555 176.269 174.700 0.023 0.000 1.010 234 T CA 1.090 63.210 62.100 0.033 0.000 1.161 234 T CB 0.606 69.500 68.868 0.044 0.000 0.989 234 T HN 0.960 nan 8.240 nan 0.000 0.523 235 G N 1.567 110.382 108.800 0.025 0.000 2.155 235 G HA2 0.003 3.963 3.960 0.001 0.000 0.257 235 G HA3 0.003 3.963 3.960 0.001 0.000 0.257 235 G C 0.097 174.999 174.900 0.004 0.000 0.983 235 G CA 0.013 45.119 45.100 0.011 0.000 0.676 235 G HN 1.262 nan 8.290 nan 0.000 0.528 236 A N -0.615 122.208 122.820 0.003 0.000 2.401 236 A HA 0.842 5.163 4.320 0.001 0.000 0.310 236 A C -0.117 177.462 177.584 -0.010 0.000 1.075 236 A CA -0.736 51.297 52.037 -0.006 0.000 0.746 236 A CB 1.319 20.307 19.000 -0.021 0.000 1.277 236 A HN 0.630 nan 8.150 nan 0.000 0.425 237 I N 1.751 122.312 120.570 -0.015 0.000 2.396 237 I HA 0.255 4.426 4.170 0.001 0.000 0.292 237 I C -0.400 175.674 176.117 -0.072 0.000 0.999 237 I CA -0.717 60.569 61.300 -0.022 0.000 1.310 237 I CB 1.724 39.718 38.000 -0.010 0.000 1.404 237 I HN 0.296 nan 8.210 nan 0.000 0.496 238 V N 6.138 125.997 119.914 -0.092 0.000 2.408 238 V HA 0.111 4.231 4.120 0.001 0.000 0.267 238 V C 0.290 176.224 176.094 -0.266 0.000 1.047 238 V CA -0.278 61.886 62.300 -0.226 0.000 0.937 238 V CB 0.870 32.561 31.823 -0.220 0.000 0.999 238 V HN 0.703 nan 8.190 nan 0.000 0.472 239 E N 4.510 124.491 120.200 -0.365 0.000 2.092 239 E HA 0.370 4.721 4.350 0.001 0.000 0.271 239 E C -1.367 174.989 176.600 -0.407 0.000 0.919 239 E CA -0.601 55.640 56.400 -0.266 0.000 0.760 239 E CB 0.744 30.360 29.700 -0.139 0.000 1.106 239 E HN 0.624 nan 8.360 nan 0.000 0.408 240 Y N 4.092 124.133 120.300 -0.431 0.000 2.304 240 Y HA 0.269 4.819 4.550 0.001 0.000 0.327 240 Y C 0.792 176.536 175.900 -0.260 0.000 1.209 240 Y CA 0.161 57.917 58.100 -0.573 0.000 1.299 240 Y CB 0.843 38.510 38.460 -1.322 0.000 1.249 240 Y HN 0.531 nan 8.280 nan 0.000 0.519 241 H N -0.750 118.275 119.070 -0.075 0.000 2.887 241 H HA 0.661 5.217 4.556 0.001 0.000 0.290 241 H C -0.461 174.902 175.328 0.058 0.000 1.429 241 H CA -1.071 54.996 56.048 0.031 0.000 1.137 241 H CB 1.276 31.071 29.762 0.056 0.000 1.824 241 H HN 0.980 nan 8.280 nan 0.000 0.520 242 G N 0.202 109.082 108.800 0.134 0.000 2.459 242 G HA2 -0.043 3.917 3.960 0.001 0.000 0.685 242 G HA3 -0.043 3.917 3.960 0.001 0.000 0.685 242 G C -2.351 172.605 174.900 0.092 0.000 1.303 242 G CA -0.296 44.849 45.100 0.076 0.000 0.907 242 G HN 0.523 nan 8.290 nan 0.000 0.632 243 P HA -0.060 nan 4.420 nan 0.000 0.218 243 P C 1.879 179.220 177.300 0.068 0.000 1.148 243 P CA 1.990 65.133 63.100 0.071 0.000 0.822 243 P CB -0.177 31.557 31.700 0.057 0.000 0.784 244 G N 0.126 108.962 108.800 0.060 0.000 2.559 244 G HA2 -0.123 3.838 3.960 0.001 0.000 0.216 244 G HA3 -0.123 3.838 3.960 0.001 0.000 0.216 244 G C 1.642 176.590 174.900 0.079 0.000 1.126 244 G CA 0.225 45.360 45.100 0.059 0.000 0.778 244 G HN 0.153 nan 8.290 nan 0.000 0.543 245 V N 1.338 121.325 119.914 0.120 0.000 2.282 245 V HA -0.222 3.899 4.120 0.001 0.000 0.249 245 V C 2.376 178.509 176.094 0.066 0.000 1.057 245 V CA 2.155 64.559 62.300 0.173 0.000 1.032 245 V CB -0.359 31.619 31.823 0.259 0.000 0.645 245 V HN 0.403 nan 8.190 nan 0.000 0.447 246 D N 0.240 120.680 120.400 0.066 0.000 2.351 246 D HA -0.101 4.539 4.640 0.001 0.000 0.216 246 D C 2.093 178.401 176.300 0.012 0.000 0.968 246 D CA 1.510 55.533 54.000 0.039 0.000 0.899 246 D CB 0.043 40.921 40.800 0.131 0.000 0.907 246 D HN 0.644 nan 8.370 nan 0.000 0.514 247 S N -0.214 115.493 115.700 0.012 0.000 2.593 247 S HA 0.082 4.553 4.470 0.001 0.000 0.217 247 S C 0.733 175.307 174.600 -0.043 0.000 0.966 247 S CA -0.345 57.853 58.200 -0.003 0.000 0.914 247 S CB 0.037 63.243 63.200 0.011 0.000 0.776 247 S HN 0.057 nan 8.310 nan 0.000 0.523 248 I N 2.914 123.431 120.570 -0.087 0.000 2.392 248 I HA 0.314 4.484 4.170 0.001 0.000 0.295 248 I C 0.685 176.686 176.117 -0.193 0.000 0.985 248 I CA -0.688 60.527 61.300 -0.142 0.000 1.221 248 I CB 1.912 39.795 38.000 -0.194 0.000 1.366 248 I HN 0.238 nan 8.210 nan 0.000 0.467 249 S N 3.735 119.335 115.700 -0.166 0.000 2.596 249 S HA -0.029 4.441 4.470 0.001 0.000 0.260 249 S C 1.204 175.656 174.600 -0.247 0.000 1.336 249 S CA -0.619 57.483 58.200 -0.163 0.000 0.993 249 S CB 1.109 64.253 63.200 -0.094 0.000 0.923 249 S HN 0.893 nan 8.310 nan 0.000 0.567 250 C N 1.715 120.869 119.300 -0.243 0.000 2.435 250 C HA -0.036 4.424 4.460 0.001 0.000 0.279 250 C C 2.865 177.603 174.990 -0.421 0.000 1.321 250 C CA 1.483 60.286 59.018 -0.358 0.000 1.752 250 C CB -2.162 25.345 27.740 -0.388 0.000 1.959 250 C HN 1.049 nan 8.230 nan 0.000 0.500 251 T N -2.186 112.167 114.554 -0.335 0.000 3.043 251 T HA 0.126 4.477 4.350 0.001 0.000 0.263 251 T C 1.935 176.514 174.700 -0.201 0.000 1.094 251 T CA 1.350 63.296 62.100 -0.257 0.000 1.127 251 T CB -0.660 68.135 68.868 -0.120 0.000 0.905 251 T HN 0.544 nan 8.240 nan 0.000 0.490 252 G N 1.528 110.205 108.800 -0.205 0.000 2.408 252 G HA2 -0.062 3.898 3.960 0.001 0.000 0.217 252 G HA3 -0.062 3.898 3.960 0.001 0.000 0.217 252 G C 1.582 176.315 174.900 -0.280 0.000 1.150 252 G CA 0.631 45.613 45.100 -0.197 0.000 0.776 252 G HN 0.484 nan 8.290 nan 0.000 0.542 253 M N 0.695 120.027 119.600 -0.446 0.000 2.200 253 M HA 0.100 4.580 4.480 0.001 0.000 0.265 253 M C 3.034 179.130 176.300 -0.340 0.000 1.066 253 M CA 1.087 55.967 55.300 -0.701 0.000 1.127 253 M CB -0.159 31.738 32.600 -1.173 0.000 1.379 253 M HN 0.296 nan 8.290 nan 0.000 0.420 254 A N 0.285 122.946 122.820 -0.265 0.000 1.877 254 A HA -0.158 4.162 4.320 0.001 0.000 0.216 254 A C 2.208 179.723 177.584 -0.115 0.000 1.186 254 A CA 2.306 54.247 52.037 -0.160 0.000 0.620 254 A CB -1.201 17.697 19.000 -0.170 0.000 0.822 254 A HN 0.415 nan 8.150 nan 0.000 0.443 255 T N 0.538 115.020 114.554 -0.119 0.000 2.607 255 T HA -0.188 4.162 4.350 0.001 0.000 0.267 255 T C 1.791 176.457 174.700 -0.057 0.000 1.049 255 T CA 1.866 63.918 62.100 -0.081 0.000 1.162 255 T CB -0.508 68.315 68.868 -0.076 0.000 0.863 255 T HN 0.442 nan 8.240 nan 0.000 0.424 256 I N 0.579 121.105 120.570 -0.073 0.000 2.286 256 I HA -0.184 3.987 4.170 0.001 0.000 0.248 256 I C 2.603 178.715 176.117 -0.010 0.000 1.115 256 I CA 0.875 62.142 61.300 -0.054 0.000 1.392 256 I CB -0.436 37.485 38.000 -0.131 0.000 1.065 256 I HN 0.365 nan 8.210 nan 0.000 0.418 257 C N 0.259 119.567 119.300 0.013 0.000 2.467 257 C HA -0.083 4.378 4.460 0.001 0.000 0.279 257 C C 2.678 177.696 174.990 0.045 0.000 1.347 257 C CA 0.411 59.470 59.018 0.068 0.000 1.748 257 C CB -1.392 26.402 27.740 0.090 0.000 1.977 257 C HN 0.580 nan 8.230 nan 0.000 0.501 258 N N 1.364 120.069 118.700 0.009 0.000 2.018 258 N HA -0.168 4.573 4.740 0.001 0.000 0.196 258 N C 1.608 177.200 175.510 0.137 0.000 1.043 258 N CA 1.685 54.750 53.050 0.026 0.000 0.856 258 N CB -0.404 38.058 38.487 -0.042 0.000 1.042 258 N HN 0.474 nan 8.380 nan 0.000 0.423 259 M N 0.228 119.882 119.600 0.090 0.000 2.659 259 M HA 0.071 4.551 4.480 0.001 0.000 0.243 259 M C 1.453 177.811 176.300 0.097 0.000 1.111 259 M CA 0.251 55.619 55.300 0.114 0.000 1.070 259 M CB -0.023 32.612 32.600 0.058 0.000 1.525 259 M HN 0.194 nan 8.290 nan 0.000 0.517 260 G N -0.347 108.508 108.800 0.091 0.000 2.509 260 G HA2 -0.124 3.837 3.960 0.001 0.000 0.218 260 G HA3 -0.124 3.837 3.960 0.001 0.000 0.218 260 G C 1.436 176.368 174.900 0.053 0.000 1.124 260 G CA 0.752 45.901 45.100 0.083 0.000 0.776 260 G HN 0.581 nan 8.290 nan 0.000 0.547 261 A N 0.896 123.739 122.820 0.038 0.000 1.978 261 A HA -0.022 4.299 4.320 0.001 0.000 0.220 261 A C 2.055 179.644 177.584 0.009 0.000 1.170 261 A CA 1.784 53.808 52.037 -0.021 0.000 0.636 261 A CB -0.195 18.700 19.000 -0.175 0.000 0.810 261 A HN 0.279 nan 8.150 nan 0.000 0.448 262 E N -0.616 119.615 120.200 0.052 0.000 2.511 262 E HA 0.024 4.375 4.350 0.001 0.000 0.196 262 E C 1.240 177.884 176.600 0.073 0.000 1.066 262 E CA 0.651 57.096 56.400 0.076 0.000 0.871 262 E CB -0.264 29.482 29.700 0.077 0.000 0.863 262 E HN 0.907 nan 8.360 nan 0.000 0.520 263 I N -5.880 114.722 120.570 0.054 0.000 4.240 263 I HA 0.441 4.612 4.170 0.001 0.000 0.331 263 I C 1.067 177.207 176.117 0.039 0.000 1.381 263 I CA 0.265 61.592 61.300 0.044 0.000 1.136 263 I CB 0.685 38.702 38.000 0.029 0.000 1.137 263 I HN 0.012 nan 8.210 nan 0.000 0.411 264 G N 1.927 110.752 108.800 0.042 0.000 2.136 264 G HA2 -0.211 3.749 3.960 0.001 0.000 0.242 264 G HA3 -0.211 3.749 3.960 0.001 0.000 0.242 264 G C 0.454 175.374 174.900 0.034 0.000 0.989 264 G CA 0.001 45.127 45.100 0.042 0.000 0.682 264 G HN 0.969 nan 8.290 nan 0.000 0.522 265 A N -0.201 122.635 122.820 0.026 0.000 2.498 265 A HA 0.603 4.923 4.320 0.001 0.000 0.239 265 A C 1.704 179.306 177.584 0.029 0.000 1.068 265 A CA 1.432 53.481 52.037 0.020 0.000 0.766 265 A CB 0.193 19.203 19.000 0.017 0.000 1.003 265 A HN 0.824 nan 8.150 nan 0.000 0.497 266 T N 0.641 115.215 114.554 0.033 0.000 2.849 266 T HA 0.030 4.380 4.350 0.001 0.000 0.270 266 T C 0.944 175.674 174.700 0.051 0.000 1.066 266 T CA 2.036 64.166 62.100 0.050 0.000 1.130 266 T CB -0.253 68.645 68.868 0.050 0.000 0.864 266 T HN 1.056 nan 8.240 nan 0.000 0.481 267 T N -1.152 113.424 114.554 0.037 0.000 2.660 267 T HA 0.450 4.800 4.350 0.001 0.000 0.299 267 T C -2.058 172.667 174.700 0.042 0.000 1.763 267 T CA -0.651 61.470 62.100 0.036 0.000 0.959 267 T CB 0.951 69.841 68.868 0.036 0.000 1.935 267 T HN 0.039 nan 8.240 nan 0.000 0.470 268 S N -0.172 115.567 115.700 0.065 0.000 2.550 268 S HA 0.846 5.316 4.470 0.001 0.000 0.270 268 S C -1.618 173.058 174.600 0.126 0.000 1.145 268 S CA -0.642 57.625 58.200 0.112 0.000 0.852 268 S CB 1.816 65.139 63.200 0.204 0.000 1.119 268 S HN 1.011 nan 8.310 nan 0.000 0.465 269 V N 2.318 122.315 119.914 0.137 0.000 3.077 269 V HA 0.691 4.812 4.120 0.001 0.000 0.299 269 V C -2.155 174.005 176.094 0.111 0.000 1.276 269 V CA -0.610 61.781 62.300 0.151 0.000 0.993 269 V CB 1.835 33.718 31.823 0.101 0.000 1.076 269 V HN 0.841 nan 8.190 nan 0.000 0.434 270 F N 6.265 126.281 119.950 0.109 0.000 2.507 270 F HA 0.764 5.292 4.527 0.001 0.000 0.327 270 F C -1.982 173.893 175.800 0.125 0.000 1.068 270 F CA -1.907 56.159 58.000 0.111 0.000 0.965 270 F CB 2.416 41.432 39.000 0.027 0.000 1.192 270 F HN 0.354 nan 8.300 nan 0.000 0.476 271 P HA 0.033 nan 4.420 nan 0.000 0.281 271 P C -1.158 176.317 177.300 0.293 0.000 1.249 271 P CA -0.258 63.000 63.100 0.264 0.000 0.810 271 P CB 0.566 32.395 31.700 0.214 0.000 1.008 272 Y N 4.055 124.436 120.300 0.136 0.000 2.650 272 Y HA 0.084 4.634 4.550 0.001 0.000 0.331 272 Y C 0.242 176.212 175.900 0.117 0.000 1.165 272 Y CA 0.443 58.616 58.100 0.121 0.000 1.473 272 Y CB -0.499 38.029 38.460 0.114 0.000 1.224 272 Y HN 0.466 nan 8.280 nan 0.000 0.533 273 N N 2.641 121.190 118.700 -0.252 0.000 3.102 273 N HA 0.140 4.881 4.740 0.001 0.000 0.299 273 N C 0.547 175.853 175.510 -0.340 0.000 1.482 273 N CA -0.284 52.614 53.050 -0.253 0.000 0.785 273 N CB 0.071 38.525 38.487 -0.055 0.000 1.680 273 N HN 0.575 nan 8.380 nan 0.000 0.594 274 H N -1.011 117.924 119.070 -0.224 0.000 2.524 274 H HA 0.201 4.758 4.556 0.001 0.000 0.282 274 H C 0.497 175.790 175.328 -0.058 0.000 1.016 274 H CA 0.611 56.571 56.048 -0.146 0.000 1.270 274 H CB 0.110 29.817 29.762 -0.091 0.000 1.394 274 H HN 0.337 nan 8.280 nan 0.000 0.568 275 R N 0.552 120.755 120.500 -0.494 0.000 2.090 275 R HA 0.039 4.379 4.340 0.001 0.000 0.228 275 R C 2.506 178.765 176.300 -0.068 0.000 1.110 275 R CA 0.827 56.753 56.100 -0.291 0.000 0.973 275 R CB -0.398 29.716 30.300 -0.311 0.000 0.869 275 R HN 0.425 nan 8.270 nan 0.000 0.440 276 M N 0.605 120.190 119.600 -0.026 0.000 2.067 276 M HA -0.150 4.330 4.480 0.001 0.000 0.260 276 M C 2.393 178.847 176.300 0.257 0.000 1.069 276 M CA 1.631 57.020 55.300 0.148 0.000 1.117 276 M CB -0.436 32.331 32.600 0.278 0.000 1.334 276 M HN 0.020 nan 8.290 nan 0.000 0.407 277 K N 0.956 121.493 120.400 0.228 0.000 2.059 277 K HA -0.259 4.061 4.320 0.001 0.000 0.212 277 K C 2.077 178.785 176.600 0.180 0.000 1.050 277 K CA 1.827 58.264 56.287 0.251 0.000 0.927 277 K CB -0.173 32.419 32.500 0.153 0.000 0.714 277 K HN 0.185 nan 8.250 nan 0.000 0.447 278 K N -0.421 120.061 120.400 0.136 0.000 2.026 278 K HA -0.222 4.099 4.320 0.001 0.000 0.208 278 K C 2.239 178.918 176.600 0.132 0.000 1.048 278 K CA 1.733 58.087 56.287 0.111 0.000 0.929 278 K CB -0.318 32.233 32.500 0.085 0.000 0.713 278 K HN 0.263 nan 8.250 nan 0.000 0.439 279 Y N 1.347 121.674 120.300 0.046 0.000 2.242 279 Y HA -0.152 4.398 4.550 0.001 0.000 0.291 279 Y C 1.822 177.768 175.900 0.077 0.000 1.137 279 Y CA 1.256 59.393 58.100 0.061 0.000 1.181 279 Y CB -0.109 38.379 38.460 0.047 0.000 0.989 279 Y HN 0.012 nan 8.280 nan 0.000 0.527 280 L N -0.800 120.517 121.223 0.157 0.000 2.042 280 L HA -0.282 4.058 4.340 0.001 0.000 0.210 280 L C 2.485 179.356 176.870 0.001 0.000 1.076 280 L CA 1.767 56.651 54.840 0.073 0.000 0.749 280 L CB -0.610 41.547 42.059 0.162 0.000 0.893 280 L HN 0.173 nan 8.230 nan 0.000 0.432 281 S N -0.649 115.071 115.700 0.033 0.000 2.383 281 S HA -0.179 4.291 4.470 0.001 0.000 0.227 281 S C 1.893 176.483 174.600 -0.017 0.000 1.026 281 S CA 1.136 59.347 58.200 0.019 0.000 0.981 281 S CB -0.123 63.100 63.200 0.039 0.000 0.818 281 S HN 0.200 nan 8.310 nan 0.000 0.472 282 K N 2.104 122.477 120.400 -0.045 0.000 2.365 282 K HA 0.003 4.323 4.320 0.001 0.000 0.199 282 K C 1.101 177.671 176.600 -0.050 0.000 1.045 282 K CA 1.028 57.286 56.287 -0.048 0.000 0.962 282 K CB -0.323 32.138 32.500 -0.064 0.000 0.759 282 K HN 0.436 nan 8.250 nan 0.000 0.469 283 T N -2.893 111.565 114.554 -0.159 0.000 3.258 283 T HA 0.329 4.679 4.350 0.001 0.000 0.263 283 T C 0.871 175.519 174.700 -0.087 0.000 0.983 283 T CA -0.188 61.805 62.100 -0.179 0.000 0.907 283 T CB 0.078 68.709 68.868 -0.396 0.000 1.096 283 T HN 0.230 nan 8.240 nan 0.000 0.556 284 G N 2.266 111.058 108.800 -0.014 0.000 2.225 284 G HA2 -0.314 3.647 3.960 0.001 0.000 0.267 284 G HA3 -0.314 3.647 3.960 0.001 0.000 0.267 284 G C 0.432 175.379 174.900 0.078 0.000 1.024 284 G CA 0.091 45.224 45.100 0.055 0.000 0.784 284 G HN 0.630 nan 8.290 nan 0.000 0.507 285 R N -0.702 119.804 120.500 0.009 0.000 2.727 285 R HA 0.518 4.859 4.340 0.001 0.000 0.410 285 R C 2.048 178.367 176.300 0.031 0.000 1.101 285 R CA 0.320 56.424 56.100 0.006 0.000 1.045 285 R CB 0.283 30.551 30.300 -0.053 0.000 1.380 285 R HN 0.338 nan 8.270 nan 0.000 0.587 286 A N 1.620 124.463 122.820 0.039 0.000 1.972 286 A HA -0.219 4.101 4.320 0.001 0.000 0.219 286 A C 1.766 179.384 177.584 0.055 0.000 1.169 286 A CA 1.825 53.895 52.037 0.054 0.000 0.635 286 A CB -0.176 18.849 19.000 0.042 0.000 0.810 286 A HN 0.487 nan 8.150 nan 0.000 0.446 287 D N 0.691 121.113 120.400 0.037 0.000 2.158 287 D HA -0.218 4.422 4.640 0.001 0.000 0.197 287 D C 1.766 178.083 176.300 0.030 0.000 0.995 287 D CA 1.599 55.617 54.000 0.030 0.000 0.846 287 D CB -0.663 40.144 40.800 0.011 0.000 0.941 287 D HN 0.545 nan 8.370 nan 0.000 0.456 288 I N 1.210 121.787 120.570 0.012 0.000 2.202 288 I HA -0.195 3.975 4.170 0.001 0.000 0.242 288 I C 2.874 179.042 176.117 0.086 0.000 1.091 288 I CA 1.039 62.337 61.300 -0.002 0.000 1.368 288 I CB -0.427 37.544 38.000 -0.049 0.000 1.058 288 I HN 0.023 nan 8.210 nan 0.000 0.410 289 A N 1.157 124.050 122.820 0.121 0.000 1.927 289 A HA -0.264 4.056 4.320 0.001 0.000 0.220 289 A C 2.048 179.762 177.584 0.216 0.000 1.185 289 A CA 2.256 54.417 52.037 0.206 0.000 0.639 289 A CB -0.731 18.389 19.000 0.199 0.000 0.820 289 A HN 0.442 nan 8.150 nan 0.000 0.451 290 N N -0.694 118.098 118.700 0.153 0.000 2.216 290 N HA -0.074 4.667 4.740 0.001 0.000 0.183 290 N C 1.557 177.173 175.510 0.175 0.000 1.017 290 N CA 1.309 54.446 53.050 0.146 0.000 0.861 290 N CB -0.453 38.093 38.487 0.098 0.000 0.986 290 N HN 0.422 nan 8.380 nan 0.000 0.428 291 L N 1.011 122.346 121.223 0.186 0.000 2.156 291 L HA 0.093 4.433 4.340 0.001 0.000 0.208 291 L C 1.981 179.112 176.870 0.435 0.000 1.095 291 L CA 1.157 56.173 54.840 0.294 0.000 0.770 291 L CB -0.685 41.512 42.059 0.230 0.000 0.914 291 L HN 0.079 nan 8.230 nan 0.000 0.439 292 A N -0.900 122.109 122.820 0.315 0.000 1.930 292 A HA -0.174 4.146 4.320 0.001 0.000 0.217 292 A C 1.949 179.650 177.584 0.196 0.000 1.175 292 A CA 1.608 53.698 52.037 0.089 0.000 0.627 292 A CB -0.701 18.051 19.000 -0.412 0.000 0.815 292 A HN 0.477 nan 8.150 nan 0.000 0.443 293 D N 0.038 120.641 120.400 0.339 0.000 2.149 293 D HA -0.143 4.497 4.640 0.001 0.000 0.198 293 D C 1.737 178.147 176.300 0.183 0.000 0.990 293 D CA 1.276 55.466 54.000 0.317 0.000 0.839 293 D CB -0.352 40.592 40.800 0.239 0.000 0.948 293 D HN 0.625 nan 8.370 nan 0.000 0.460 294 E N -1.113 119.187 120.200 0.167 0.000 2.347 294 E HA -0.074 4.276 4.350 0.001 0.000 0.196 294 E C 0.737 177.284 176.600 -0.089 0.000 1.008 294 E CA 0.381 56.794 56.400 0.022 0.000 0.852 294 E CB 0.078 29.781 29.700 0.005 0.000 0.783 294 E HN 0.314 nan 8.360 nan 0.000 0.505 295 F N -0.355 119.620 119.950 0.041 0.000 2.683 295 F HA 0.165 4.692 4.527 0.001 0.000 0.306 295 F C 1.571 177.361 175.800 -0.016 0.000 1.102 295 F CA -0.386 57.618 58.000 0.007 0.000 1.244 295 F CB 0.590 39.501 39.000 -0.147 0.000 1.029 295 F HN -0.220 nan 8.300 nan 0.000 0.545 296 K N 1.166 121.662 120.400 0.159 0.000 2.206 296 K HA -0.273 4.047 4.320 0.001 0.000 0.211 296 K C 1.300 177.943 176.600 0.071 0.000 1.047 296 K CA 2.422 58.804 56.287 0.160 0.000 0.933 296 K CB -0.314 32.283 32.500 0.161 0.000 0.721 296 K HN 0.175 nan 8.250 nan 0.000 0.471 297 D N -0.842 119.516 120.400 -0.070 0.000 2.178 297 D HA -0.134 4.507 4.640 0.001 0.000 0.202 297 D C 1.357 177.538 176.300 -0.199 0.000 0.974 297 D CA 1.034 54.923 54.000 -0.186 0.000 0.841 297 D CB -0.253 40.331 40.800 -0.361 0.000 0.953 297 D HN 0.513 nan 8.370 nan 0.000 0.478 298 H N -0.357 118.751 119.070 0.065 0.000 2.539 298 H HA 0.209 4.765 4.556 0.001 0.000 0.267 298 H C 1.286 176.628 175.328 0.024 0.000 0.982 298 H CA 0.215 56.291 56.048 0.046 0.000 1.146 298 H CB 0.694 30.485 29.762 0.048 0.000 1.382 298 H HN 0.152 nan 8.280 nan 0.000 0.577 299 L N 0.983 122.278 121.223 0.119 0.000 3.014 299 L HA 0.202 4.542 4.340 0.001 0.000 0.263 299 L C 0.139 177.106 176.870 0.161 0.000 1.207 299 L CA -0.236 54.673 54.840 0.115 0.000 1.017 299 L CB 0.720 42.820 42.059 0.068 0.000 1.360 299 L HN -0.056 nan 8.230 nan 0.000 0.560 300 V N -4.180 115.807 119.914 0.123 0.000 3.130 300 V HA 0.715 4.835 4.120 0.001 0.000 0.310 300 V C -2.786 173.355 176.094 0.078 0.000 1.158 300 V CA -2.270 60.098 62.300 0.113 0.000 1.029 300 V CB 1.972 33.853 31.823 0.096 0.000 1.057 300 V HN -0.157 nan 8.190 nan 0.000 0.436 301 P HA 0.290 nan 4.420 nan 0.000 0.277 301 P C -0.898 176.404 177.300 0.003 0.000 1.240 301 P CA 0.015 63.135 63.100 0.032 0.000 0.798 301 P CB 0.570 32.286 31.700 0.027 0.000 0.979 302 D N 2.248 122.640 120.400 -0.014 0.000 2.414 302 D HA 0.151 4.791 4.640 0.001 0.000 0.242 302 D C -1.983 174.288 176.300 -0.047 0.000 1.129 302 D CA -0.872 53.115 54.000 -0.022 0.000 0.885 302 D CB -0.601 40.190 40.800 -0.015 0.000 1.198 302 D HN 0.214 nan 8.370 nan 0.000 0.437 303 P HA 0.187 nan 4.420 nan 0.000 0.267 303 P C 0.466 177.728 177.300 -0.063 0.000 1.205 303 P CA 0.051 63.126 63.100 -0.042 0.000 0.765 303 P CB 0.634 32.320 31.700 -0.024 0.000 0.828 304 G N 2.053 110.799 108.800 -0.089 0.000 2.225 304 G HA2 -0.234 3.726 3.960 0.001 0.000 0.264 304 G HA3 -0.234 3.726 3.960 0.001 0.000 0.264 304 G C 0.300 175.115 174.900 -0.142 0.000 1.060 304 G CA -0.209 44.832 45.100 -0.099 0.000 0.833 304 G HN 0.854 nan 8.290 nan 0.000 0.498 305 C N -0.710 118.444 119.300 -0.243 0.000 2.604 305 C HA 0.724 5.185 4.460 0.001 0.000 0.396 305 C C 0.831 175.571 174.990 -0.417 0.000 1.282 305 C CA -1.414 57.430 59.018 -0.290 0.000 2.292 305 C CB 0.822 28.367 27.740 -0.325 0.000 2.633 305 C HN 0.547 nan 8.230 nan 0.000 0.620 306 H N 1.711 120.578 119.070 -0.339 0.000 2.552 306 H HA 0.357 4.913 4.556 0.001 0.000 0.311 306 H C -1.141 174.042 175.328 -0.242 0.000 1.071 306 H CA -0.076 55.808 56.048 -0.274 0.000 1.307 306 H CB 0.388 30.083 29.762 -0.111 0.000 1.416 306 H HN 0.764 nan 8.280 nan 0.000 0.464 307 Y N 3.234 123.261 120.300 -0.456 0.000 2.320 307 Y HA 0.038 4.588 4.550 0.001 0.000 0.324 307 Y C 1.612 177.174 175.900 -0.563 0.000 1.190 307 Y CA -0.807 57.065 58.100 -0.380 0.000 1.215 307 Y CB 0.825 39.130 38.460 -0.258 0.000 1.221 307 Y HN 0.642 nan 8.280 nan 0.000 0.486 308 D N 0.618 120.976 120.400 -0.069 0.000 2.317 308 D HA -0.088 4.552 4.640 0.001 0.000 0.211 308 D C 0.324 176.607 176.300 -0.029 0.000 0.966 308 D CA 0.965 54.952 54.000 -0.021 0.000 0.876 308 D CB 0.713 41.546 40.800 0.054 0.000 0.927 308 D HN 0.574 nan 8.370 nan 0.000 0.519 309 Q N 0.069 119.839 119.800 -0.049 0.000 2.482 309 Q HA 0.434 4.774 4.340 0.001 0.000 0.286 309 Q C -2.150 173.809 176.000 -0.069 0.000 1.007 309 Q CA -0.586 55.188 55.803 -0.049 0.000 0.801 309 Q CB 2.707 31.415 28.738 -0.050 0.000 1.455 309 Q HN -0.187 nan 8.270 nan 0.000 0.398 310 V N 2.897 122.778 119.914 -0.056 0.000 2.841 310 V HA 0.608 4.728 4.120 0.001 0.000 0.310 310 V C -1.092 174.959 176.094 -0.072 0.000 1.090 310 V CA -0.541 61.722 62.300 -0.062 0.000 0.930 310 V CB 2.083 33.924 31.823 0.029 0.000 1.014 310 V HN 0.716 nan 8.190 nan 0.000 0.425 311 I N 3.007 123.509 120.570 -0.113 0.000 2.785 311 I HA 0.567 4.737 4.170 0.001 0.000 0.302 311 I C -0.409 175.647 176.117 -0.101 0.000 1.069 311 I CA -0.255 60.986 61.300 -0.098 0.000 1.045 311 I CB 2.198 40.125 38.000 -0.122 0.000 1.236 311 I HN 0.696 nan 8.210 nan 0.000 0.429 312 E N 5.367 125.527 120.200 -0.066 0.000 2.272 312 E HA 0.688 5.039 4.350 0.001 0.000 0.269 312 E C -1.732 174.843 176.600 -0.042 0.000 0.877 312 E CA -0.525 55.839 56.400 -0.060 0.000 0.755 312 E CB 1.830 31.515 29.700 -0.026 0.000 1.192 312 E HN 0.486 nan 8.360 nan 0.000 0.422 313 I N 3.383 123.931 120.570 -0.036 0.000 2.498 313 I HA 0.249 4.420 4.170 0.001 0.000 0.290 313 I C -0.668 175.450 176.117 0.002 0.000 1.032 313 I CA -0.999 60.294 61.300 -0.011 0.000 1.073 313 I CB 1.977 39.977 38.000 -0.001 0.000 1.251 313 I HN 0.418 nan 8.210 nan 0.000 0.426 314 N N 5.603 124.310 118.700 0.011 0.000 2.589 314 N HA 0.247 4.988 4.740 0.001 0.000 0.232 314 N C 0.600 176.126 175.510 0.026 0.000 1.015 314 N CA -0.358 52.703 53.050 0.018 0.000 0.931 314 N CB 0.903 39.402 38.487 0.019 0.000 1.150 314 N HN 0.498 nan 8.380 nan 0.000 0.512 315 L N 1.915 123.155 121.223 0.029 0.000 2.051 315 L HA -0.188 4.152 4.340 0.001 0.000 0.214 315 L C 2.018 178.909 176.870 0.035 0.000 1.076 315 L CA 1.645 56.505 54.840 0.034 0.000 0.758 315 L CB -0.857 41.222 42.059 0.034 0.000 0.890 315 L HN 0.538 nan 8.230 nan 0.000 0.433 316 S N -1.337 114.381 115.700 0.031 0.000 2.423 316 S HA -0.149 4.321 4.470 0.001 0.000 0.231 316 S C 1.806 176.426 174.600 0.034 0.000 1.014 316 S CA 0.960 59.178 58.200 0.030 0.000 0.965 316 S CB -0.094 63.122 63.200 0.026 0.000 0.785 316 S HN 0.440 nan 8.310 nan 0.000 0.495 317 E N 0.283 120.504 120.200 0.035 0.000 2.385 317 E HA 0.175 4.526 4.350 0.001 0.000 0.194 317 E C 0.248 176.880 176.600 0.052 0.000 1.013 317 E CA -0.198 56.225 56.400 0.038 0.000 0.866 317 E CB 0.077 29.797 29.700 0.034 0.000 0.832 317 E HN 0.240 nan 8.360 nan 0.000 0.500 318 L N 1.241 122.500 121.223 0.059 0.000 2.490 318 L HA 0.153 4.493 4.340 0.001 0.000 0.274 318 L C -0.294 176.637 176.870 0.102 0.000 1.201 318 L CA 0.472 55.364 54.840 0.085 0.000 0.869 318 L CB 0.477 42.576 42.059 0.067 0.000 1.123 318 L HN -0.269 nan 8.230 nan 0.000 0.484 319 K N 5.121 125.606 120.400 0.140 0.000 2.350 319 K HA 0.650 4.970 4.320 0.001 0.000 0.241 319 K C -2.589 174.094 176.600 0.139 0.000 0.994 319 K CA -2.311 54.035 56.287 0.099 0.000 0.839 319 K CB 1.468 33.989 32.500 0.036 0.000 1.244 319 K HN 0.298 nan 8.250 nan 0.000 0.443 320 P HA -0.032 nan 4.420 nan 0.000 0.263 320 P C -0.869 176.409 177.300 -0.036 0.000 1.175 320 P CA 0.597 63.730 63.100 0.056 0.000 0.761 320 P CB 0.309 31.992 31.700 -0.028 0.000 0.794 321 H N 1.499 120.578 119.070 0.015 0.000 2.797 321 H HA 0.644 5.201 4.556 0.001 0.000 0.372 321 H C -0.604 174.746 175.328 0.037 0.000 1.168 321 H CA -0.709 55.356 56.048 0.027 0.000 1.163 321 H CB 2.438 32.215 29.762 0.025 0.000 1.778 321 H HN 0.318 nan 8.280 nan 0.000 0.551 322 I N 2.455 123.121 120.570 0.159 0.000 2.586 322 I HA 0.203 4.373 4.170 0.001 0.000 0.288 322 I C -1.490 174.754 176.117 0.212 0.000 1.147 322 I CA -0.611 60.786 61.300 0.162 0.000 1.047 322 I CB 1.395 39.467 38.000 0.120 0.000 1.244 322 I HN 0.456 nan 8.210 nan 0.000 0.429 323 N N 4.668 123.462 118.700 0.156 0.000 2.417 323 N HA 0.936 5.676 4.740 0.001 0.000 0.300 323 N C -0.099 175.446 175.510 0.058 0.000 1.102 323 N CA 0.323 53.421 53.050 0.079 0.000 0.886 323 N CB 1.997 40.498 38.487 0.023 0.000 1.203 323 N HN 1.019 nan 8.380 nan 0.000 0.496 324 G N 0.719 109.512 108.800 -0.011 0.000 2.422 324 G HA2 -0.113 3.847 3.960 0.001 0.000 0.607 324 G HA3 -0.113 3.847 3.960 0.001 0.000 0.607 324 G C -2.315 172.419 174.900 -0.278 0.000 1.270 324 G CA -0.579 44.406 45.100 -0.191 0.000 0.992 324 G HN 0.435 nan 8.290 nan 0.000 0.499 325 P HA 0.259 nan 4.420 nan 0.000 0.249 325 P C 0.406 177.357 177.300 -0.581 0.000 1.229 325 P CA 0.949 63.435 63.100 -1.023 0.000 0.788 325 P CB 0.019 30.889 31.700 -1.383 0.000 1.072 326 F N -0.443 119.367 119.950 -0.233 0.000 2.880 326 F HA 0.233 4.761 4.527 0.001 0.000 0.328 326 F C 0.250 176.124 175.800 0.125 0.000 1.146 326 F CA 0.057 58.012 58.000 -0.076 0.000 1.135 326 F CB 0.454 39.413 39.000 -0.068 0.000 1.151 326 F HN -0.256 nan 8.300 nan 0.000 0.523 327 T N -0.699 113.978 114.554 0.205 0.000 2.916 327 T HA 0.299 4.649 4.350 0.001 0.000 0.305 327 T C -2.406 172.354 174.700 0.101 0.000 1.119 327 T CA -1.435 60.816 62.100 0.251 0.000 1.008 327 T CB 2.700 71.679 68.868 0.185 0.000 1.129 327 T HN -0.289 nan 8.240 nan 0.000 0.480 328 P HA 0.117 nan 4.420 nan 0.000 0.255 328 P C 0.269 177.588 177.300 0.031 0.000 1.248 328 P CA 0.410 63.519 63.100 0.016 0.000 0.807 328 P CB 0.133 31.823 31.700 -0.018 0.000 1.150 329 D N -1.258 119.173 120.400 0.052 0.000 2.363 329 D HA -0.002 4.638 4.640 0.001 0.000 0.214 329 D C 0.488 176.799 176.300 0.018 0.000 1.093 329 D CA -0.320 53.700 54.000 0.034 0.000 0.837 329 D CB -0.555 40.274 40.800 0.047 0.000 0.948 329 D HN 0.150 nan 8.370 nan 0.000 0.507 330 L N 1.697 122.928 121.223 0.012 0.000 2.356 330 L HA 0.485 4.825 4.340 0.001 0.000 0.282 330 L C -0.457 176.300 176.870 -0.187 0.000 1.132 330 L CA -0.255 54.576 54.840 -0.015 0.000 0.923 330 L CB 0.052 42.150 42.059 0.065 0.000 1.278 330 L HN 0.006 nan 8.230 nan 0.000 0.436 331 A N 5.078 127.791 122.820 -0.178 0.000 2.301 331 A HA 0.548 4.868 4.320 0.001 0.000 0.298 331 A C -0.657 176.734 177.584 -0.322 0.000 1.185 331 A CA -0.419 51.516 52.037 -0.169 0.000 0.830 331 A CB 0.330 19.348 19.000 0.030 0.000 1.112 331 A HN 0.760 nan 8.150 nan 0.000 0.508 332 H N 1.393 120.596 119.070 0.220 0.000 2.731 332 H HA 0.483 5.040 4.556 0.001 0.000 0.368 332 H C -2.786 172.494 175.328 -0.079 0.000 1.168 332 H CA -2.102 54.017 56.048 0.117 0.000 1.181 332 H CB 1.467 31.309 29.762 0.134 0.000 1.743 332 H HN 0.366 nan 8.280 nan 0.000 0.547 333 P HA 0.035 nan 4.420 nan 0.000 0.282 333 P C 1.027 178.229 177.300 -0.163 0.000 1.249 333 P CA -0.380 62.486 63.100 -0.389 0.000 0.806 333 P CB 1.292 32.779 31.700 -0.355 0.000 0.984 334 V N 1.924 121.728 119.914 -0.183 0.000 2.688 334 V HA -0.259 3.861 4.120 0.001 0.000 0.256 334 V C 2.157 178.143 176.094 -0.180 0.000 1.084 334 V CA 2.525 64.730 62.300 -0.159 0.000 1.103 334 V CB -1.573 30.133 31.823 -0.195 0.000 0.688 334 V HN 0.667 nan 8.190 nan 0.000 0.480 335 A N 0.551 123.265 122.820 -0.177 0.000 1.930 335 A HA -0.153 4.168 4.320 0.001 0.000 0.217 335 A C 1.988 179.501 177.584 -0.118 0.000 1.175 335 A CA 1.728 53.669 52.037 -0.160 0.000 0.627 335 A CB -0.184 18.733 19.000 -0.139 0.000 0.815 335 A HN 0.612 nan 8.150 nan 0.000 0.443 336 E N -1.059 119.090 120.200 -0.085 0.000 2.526 336 E HA 0.188 4.538 4.350 0.001 0.000 0.208 336 E C 1.233 177.792 176.600 -0.069 0.000 0.997 336 E CA 0.262 56.622 56.400 -0.066 0.000 0.961 336 E CB 0.031 29.709 29.700 -0.037 0.000 1.030 336 E HN 0.188 nan 8.360 nan 0.000 0.483 337 V N 1.106 120.983 119.914 -0.061 0.000 2.380 337 V HA -0.228 3.893 4.120 0.001 0.000 0.251 337 V C 1.955 177.989 176.094 -0.099 0.000 1.063 337 V CA 2.475 64.729 62.300 -0.078 0.000 1.055 337 V CB -0.603 31.191 31.823 -0.048 0.000 0.657 337 V HN 0.476 nan 8.190 nan 0.000 0.455 338 G N -1.420 107.318 108.800 -0.104 0.000 2.448 338 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 338 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 338 G C 1.705 176.550 174.900 -0.090 0.000 1.127 338 G CA 1.128 46.171 45.100 -0.094 0.000 0.766 338 G HN 0.584 nan 8.290 nan 0.000 0.552 339 S N -0.424 115.217 115.700 -0.097 0.000 2.421 339 S HA 0.029 4.499 4.470 0.001 0.000 0.224 339 S C 2.375 176.887 174.600 -0.147 0.000 1.035 339 S CA 0.487 58.625 58.200 -0.104 0.000 0.953 339 S CB 0.163 63.312 63.200 -0.086 0.000 0.810 339 S HN 0.158 nan 8.310 nan 0.000 0.497 340 V N 2.249 122.057 119.914 -0.177 0.000 2.548 340 V HA -0.087 4.033 4.120 0.001 0.000 0.249 340 V C 2.608 178.397 176.094 -0.508 0.000 1.055 340 V CA 1.512 63.636 62.300 -0.294 0.000 1.065 340 V CB -1.061 30.596 31.823 -0.277 0.000 0.681 340 V HN 0.508 nan 8.190 nan 0.000 0.462 341 A N 0.117 122.766 122.820 -0.286 0.000 1.877 341 A HA -0.275 4.045 4.320 0.001 0.000 0.216 341 A C 2.229 179.668 177.584 -0.242 0.000 1.186 341 A CA 2.025 53.965 52.037 -0.162 0.000 0.620 341 A CB -0.533 18.568 19.000 0.167 0.000 0.822 341 A HN 0.619 nan 8.150 nan 0.000 0.443 342 E N 0.169 120.271 120.200 -0.164 0.000 2.049 342 E HA -0.298 4.053 4.350 0.001 0.000 0.198 342 E C 2.095 178.595 176.600 -0.167 0.000 1.007 342 E CA 2.005 58.324 56.400 -0.134 0.000 0.809 342 E CB -0.206 29.431 29.700 -0.105 0.000 0.749 342 E HN 0.610 nan 8.360 nan 0.000 0.450 343 K N 0.296 120.573 120.400 -0.205 0.000 2.009 343 K HA -0.240 4.080 4.320 0.001 0.000 0.210 343 K C 1.934 178.368 176.600 -0.276 0.000 1.049 343 K CA 1.920 58.084 56.287 -0.204 0.000 0.929 343 K CB -0.147 32.236 32.500 -0.196 0.000 0.714 343 K HN 0.012 nan 8.250 nan 0.000 0.440 344 E N -0.693 119.209 120.200 -0.498 0.000 2.511 344 E HA 0.047 4.397 4.350 0.001 0.000 0.196 344 E C 0.418 176.715 176.600 -0.505 0.000 1.066 344 E CA 0.761 56.770 56.400 -0.652 0.000 0.871 344 E CB 0.154 29.031 29.700 -1.372 0.000 0.863 344 E HN 0.648 nan 8.360 nan 0.000 0.520 345 G N 0.289 108.907 108.800 -0.304 0.000 2.176 345 G HA2 -0.218 3.742 3.960 0.001 0.000 0.252 345 G HA3 -0.218 3.742 3.960 0.001 0.000 0.252 345 G C -0.516 174.427 174.900 0.072 0.000 1.024 345 G CA 0.064 45.114 45.100 -0.082 0.000 0.755 345 G HN 0.070 nan 8.290 nan 0.000 0.507 346 W N -0.145 121.159 121.300 0.007 0.000 2.316 346 W HA 0.527 5.188 4.660 0.001 0.000 0.311 346 W C -2.009 174.445 176.519 -0.109 0.000 1.217 346 W CA -3.372 53.938 57.345 -0.060 0.000 1.199 346 W CB 0.027 29.602 29.460 0.191 0.000 1.202 346 W HN 0.008 nan 8.180 nan 0.000 0.528 347 P HA -0.072 nan 4.420 nan 0.000 0.261 347 P C 0.977 178.300 177.300 0.039 0.000 1.183 347 P CA 0.195 63.302 63.100 0.012 0.000 0.761 347 P CB 0.723 32.414 31.700 -0.016 0.000 0.785 348 L N 2.135 123.365 121.223 0.011 0.000 2.270 348 L HA 0.030 4.370 4.340 0.001 0.000 0.210 348 L C 0.988 177.844 176.870 -0.025 0.000 1.104 348 L CA 1.431 56.262 54.840 -0.015 0.000 0.804 348 L CB -0.958 41.087 42.059 -0.023 0.000 0.937 348 L HN 0.453 nan 8.230 nan 0.000 0.450 349 D N 0.514 120.909 120.400 -0.008 0.000 2.264 349 D HA 0.163 4.803 4.640 0.001 0.000 0.250 349 D C 0.027 176.331 176.300 0.007 0.000 1.113 349 D CA -0.301 53.693 54.000 -0.009 0.000 0.871 349 D CB 1.910 42.708 40.800 -0.004 0.000 1.167 349 D HN 0.009 nan 8.370 nan 0.000 0.447 350 I N 2.350 122.919 120.570 -0.002 0.000 2.315 350 I HA 0.134 4.304 4.170 0.001 0.000 0.291 350 I C 1.566 177.704 176.117 0.035 0.000 1.006 350 I CA -0.836 60.475 61.300 0.018 0.000 1.265 350 I CB 1.403 39.401 38.000 -0.005 0.000 1.387 350 I HN 0.150 nan 8.210 nan 0.000 0.475 351 R N 4.368 124.908 120.500 0.067 0.000 2.087 351 R HA 0.281 4.622 4.340 0.001 0.000 0.216 351 R C -0.000 176.369 176.300 0.115 0.000 1.114 351 R CA 0.807 56.955 56.100 0.079 0.000 1.002 351 R CB 0.073 30.421 30.300 0.081 0.000 0.903 351 R HN 0.420 nan 8.270 nan 0.000 0.445 352 V N -0.661 119.343 119.914 0.151 0.000 2.925 352 V HA 0.661 4.781 4.120 0.001 0.000 0.311 352 V C -0.276 175.902 176.094 0.139 0.000 1.104 352 V CA -1.143 61.271 62.300 0.190 0.000 0.954 352 V CB 2.151 34.172 31.823 0.329 0.000 1.022 352 V HN 0.318 nan 8.190 nan 0.000 0.427 353 G N 2.537 111.427 108.800 0.151 0.000 2.544 353 G HA2 0.715 4.675 3.960 0.001 0.000 0.313 353 G HA3 0.715 4.675 3.960 0.001 0.000 0.313 353 G C -1.477 173.496 174.900 0.123 0.000 1.316 353 G CA -0.461 44.724 45.100 0.142 0.000 0.944 353 G HN 0.528 nan 8.290 nan 0.000 0.489 354 L N 4.174 125.365 121.223 -0.054 0.000 2.388 354 L HA 0.428 4.768 4.340 0.001 0.000 0.267 354 L C 0.309 177.081 176.870 -0.164 0.000 0.995 354 L CA -0.629 54.104 54.840 -0.177 0.000 0.864 354 L CB 1.551 43.392 42.059 -0.364 0.000 1.216 354 L HN 0.592 nan 8.230 nan 0.000 0.430 355 I N -0.281 120.253 120.570 -0.060 0.000 2.396 355 I HA 1.011 5.181 4.170 0.001 0.000 0.292 355 I C 0.495 176.650 176.117 0.065 0.000 0.999 355 I CA -0.065 61.241 61.300 0.011 0.000 1.310 355 I CB 1.360 39.370 38.000 0.016 0.000 1.404 355 I HN 0.635 nan 8.210 nan 0.000 0.496 356 G N 3.664 112.553 108.800 0.147 0.000 2.356 356 G HA2 0.395 4.355 3.960 0.001 0.000 0.266 356 G HA3 0.395 4.355 3.960 0.001 0.000 0.266 356 G C -0.499 174.432 174.900 0.052 0.000 1.312 356 G CA 0.051 45.203 45.100 0.087 0.000 0.922 356 G HN 1.954 nan 8.290 nan 0.000 0.480 357 S N -3.024 112.561 115.700 -0.192 0.000 3.657 357 S HA -0.171 4.300 4.470 0.001 0.000 0.793 357 S C 1.706 176.204 174.600 -0.170 0.000 1.375 357 S CA 1.025 59.034 58.200 -0.318 0.000 1.212 357 S CB -1.779 61.131 63.200 -0.484 0.000 0.468 357 S HN 2.759 nan 8.310 nan 0.000 0.550 358 C N -0.189 119.008 119.300 -0.172 0.000 2.409 358 C HA 0.094 4.554 4.460 0.001 0.000 0.288 358 C C 2.548 177.485 174.990 -0.088 0.000 1.395 358 C CA 1.155 60.122 59.018 -0.085 0.000 1.792 358 C CB -2.478 25.290 27.740 0.047 0.000 1.847 358 C HN 0.955 nan 8.230 nan 0.000 0.534 359 T N 0.465 114.944 114.554 -0.125 0.000 2.985 359 T HA -0.012 4.338 4.350 0.001 0.000 0.266 359 T C 0.583 175.255 174.700 -0.047 0.000 1.076 359 T CA 1.376 63.419 62.100 -0.095 0.000 1.135 359 T CB -0.396 68.414 68.868 -0.096 0.000 0.890 359 T HN 0.748 nan 8.240 nan 0.000 0.480 360 N N 0.506 119.191 118.700 -0.025 0.000 2.639 360 N HA 0.148 4.889 4.740 0.001 0.000 0.265 360 N C -0.175 175.336 175.510 0.002 0.000 1.689 360 N CA -0.151 52.897 53.050 -0.003 0.000 0.813 360 N CB 1.105 39.605 38.487 0.022 0.000 1.353 360 N HN 0.126 nan 8.380 nan 0.000 0.510 361 S N -1.649 114.045 115.700 -0.011 0.000 2.741 361 S HA 0.216 4.687 4.470 0.001 0.000 0.247 361 S C 0.405 175.019 174.600 0.023 0.000 1.050 361 S CA -0.621 57.575 58.200 -0.007 0.000 1.025 361 S CB -0.085 63.093 63.200 -0.036 0.000 0.897 361 S HN 0.213 nan 8.310 nan 0.000 0.508 362 S N 0.273 116.000 115.700 0.046 0.000 2.713 362 S HA 0.492 4.962 4.470 0.001 0.000 0.283 362 S C 0.708 175.405 174.600 0.161 0.000 1.161 362 S CA -0.703 57.568 58.200 0.119 0.000 0.999 362 S CB 0.369 63.646 63.200 0.129 0.000 1.039 362 S HN 0.237 nan 8.310 nan 0.000 0.548 363 Y N 0.758 121.171 120.300 0.188 0.000 2.102 363 Y HA -0.262 4.288 4.550 0.001 0.000 0.280 363 Y C 2.518 178.499 175.900 0.136 0.000 1.178 363 Y CA 2.578 60.817 58.100 0.232 0.000 1.146 363 Y CB -0.316 38.339 38.460 0.325 0.000 0.968 363 Y HN 0.970 nan 8.280 nan 0.000 0.504 364 E N -0.423 119.909 120.200 0.220 0.000 2.047 364 E HA -0.221 4.129 4.350 0.001 0.000 0.191 364 E C 1.830 178.402 176.600 -0.047 0.000 0.987 364 E CA 1.450 57.900 56.400 0.083 0.000 0.799 364 E CB -0.159 29.597 29.700 0.093 0.000 0.752 364 E HN 0.530 nan 8.360 nan 0.000 0.449 365 D N 0.274 120.662 120.400 -0.020 0.000 2.104 365 D HA -0.193 4.447 4.640 0.001 0.000 0.194 365 D C 1.964 178.206 176.300 -0.096 0.000 0.994 365 D CA 1.129 55.103 54.000 -0.043 0.000 0.830 365 D CB -0.150 40.645 40.800 -0.009 0.000 0.959 365 D HN 0.294 nan 8.370 nan 0.000 0.452 366 M N 0.303 119.827 119.600 -0.125 0.000 2.213 366 M HA -0.040 4.440 4.480 0.001 0.000 0.263 366 M C 2.365 178.395 176.300 -0.450 0.000 1.062 366 M CA 1.064 56.252 55.300 -0.188 0.000 1.105 366 M CB -1.333 31.199 32.600 -0.113 0.000 1.385 366 M HN 0.008 nan 8.290 nan 0.000 0.417 367 G N -0.292 108.100 108.800 -0.680 0.000 2.408 367 G HA2 -0.135 3.825 3.960 0.001 0.000 0.215 367 G HA3 -0.135 3.825 3.960 0.001 0.000 0.215 367 G C 1.884 176.462 174.900 -0.536 0.000 1.156 367 G CA 0.079 44.520 45.100 -1.098 0.000 0.793 367 G HN 0.366 nan 8.290 nan 0.000 0.535 368 R N 0.533 120.853 120.500 -0.301 0.000 2.075 368 R HA -0.018 4.322 4.340 0.001 0.000 0.232 368 R C 2.984 179.195 176.300 -0.149 0.000 1.126 368 R CA 1.349 57.333 56.100 -0.192 0.000 0.963 368 R CB -0.343 29.882 30.300 -0.125 0.000 0.858 368 R HN 0.292 nan 8.270 nan 0.000 0.435 369 S N 0.927 116.558 115.700 -0.115 0.000 2.359 369 S HA -0.215 4.255 4.470 0.001 0.000 0.222 369 S C 2.126 176.707 174.600 -0.032 0.000 1.038 369 S CA 1.483 59.669 58.200 -0.024 0.000 1.051 369 S CB -0.353 62.858 63.200 0.018 0.000 0.944 369 S HN 0.506 nan 8.310 nan 0.000 0.433 370 A N 1.404 124.142 122.820 -0.136 0.000 1.986 370 A HA -0.008 4.312 4.320 0.001 0.000 0.220 370 A C 2.295 179.840 177.584 -0.064 0.000 1.171 370 A CA 1.858 53.838 52.037 -0.095 0.000 0.640 370 A CB -1.001 17.874 19.000 -0.209 0.000 0.811 370 A HN 0.554 nan 8.150 nan 0.000 0.451 371 A N -0.891 121.858 122.820 -0.119 0.000 2.015 371 A HA 0.124 4.445 4.320 0.001 0.000 0.219 371 A C 2.133 179.696 177.584 -0.036 0.000 1.163 371 A CA 1.558 53.546 52.037 -0.083 0.000 0.646 371 A CB -0.524 18.396 19.000 -0.134 0.000 0.806 371 A HN 0.360 nan 8.150 nan 0.000 0.448 372 V N -0.457 119.457 119.914 -0.001 0.000 2.346 372 V HA -0.128 3.992 4.120 0.001 0.000 0.244 372 V C 3.022 179.170 176.094 0.090 0.000 1.037 372 V CA 1.506 63.856 62.300 0.084 0.000 1.029 372 V CB -1.138 30.784 31.823 0.166 0.000 0.663 372 V HN 0.570 nan 8.190 nan 0.000 0.454 373 A N 1.781 124.639 122.820 0.062 0.000 1.892 373 A HA -0.299 4.022 4.320 0.001 0.000 0.218 373 A C 2.122 179.743 177.584 0.062 0.000 1.188 373 A CA 2.631 54.703 52.037 0.060 0.000 0.631 373 A CB -0.543 18.509 19.000 0.086 0.000 0.822 373 A HN 0.654 nan 8.150 nan 0.000 0.447 374 K N 0.719 121.149 120.400 0.050 0.000 2.283 374 K HA -0.098 4.222 4.320 0.001 0.000 0.202 374 K C 1.580 178.204 176.600 0.039 0.000 1.048 374 K CA 1.713 58.023 56.287 0.038 0.000 0.948 374 K CB -0.712 31.803 32.500 0.026 0.000 0.742 374 K HN 0.696 nan 8.250 nan 0.000 0.458 375 Q N 0.391 120.238 119.800 0.078 0.000 2.083 375 Q HA 0.083 4.423 4.340 0.001 0.000 0.198 375 Q C 2.230 178.322 176.000 0.154 0.000 0.969 375 Q CA 1.353 57.230 55.803 0.122 0.000 0.838 375 Q CB -0.303 28.556 28.738 0.203 0.000 0.900 375 Q HN 0.465 nan 8.270 nan 0.000 0.436 376 A N 1.397 124.327 122.820 0.184 0.000 1.873 376 A HA -0.137 4.183 4.320 0.001 0.000 0.215 376 A C 2.148 179.786 177.584 0.090 0.000 1.186 376 A CA 0.979 53.145 52.037 0.214 0.000 0.616 376 A CB -0.773 18.329 19.000 0.169 0.000 0.823 376 A HN 0.263 nan 8.150 nan 0.000 0.442 377 L N -0.584 120.667 121.223 0.046 0.000 2.043 377 L HA -0.273 4.067 4.340 0.001 0.000 0.212 377 L C 3.065 179.903 176.870 -0.053 0.000 1.075 377 L CA 1.198 56.042 54.840 0.007 0.000 0.752 377 L CB -0.529 41.536 42.059 0.011 0.000 0.891 377 L HN 0.462 nan 8.230 nan 0.000 0.432 378 A N -0.841 121.916 122.820 -0.105 0.000 2.024 378 A HA -0.238 4.083 4.320 0.001 0.000 0.220 378 A C 1.598 178.923 177.584 -0.431 0.000 1.164 378 A CA 1.694 53.582 52.037 -0.248 0.000 0.643 378 A CB -0.787 18.036 19.000 -0.295 0.000 0.806 378 A HN 0.561 nan 8.150 nan 0.000 0.451 379 H N -1.668 117.220 119.070 -0.303 0.000 2.520 379 H HA 0.402 4.958 4.556 0.000 0.000 0.284 379 H C 1.259 176.500 175.328 -0.145 0.000 1.037 379 H CA 0.353 56.197 56.048 -0.340 0.000 1.168 379 H CB 0.202 29.476 29.762 -0.814 0.000 1.497 379 H HN 0.564 nan 8.280 nan 0.000 0.547 380 G N 1.068 109.858 108.800 -0.017 0.000 2.256 380 G HA2 -0.247 3.714 3.960 0.001 0.000 0.272 380 G HA3 -0.247 3.714 3.960 0.001 0.000 0.272 380 G C -0.293 174.635 174.900 0.048 0.000 1.076 380 G CA 0.074 45.181 45.100 0.012 0.000 0.882 380 G HN 0.288 nan 8.290 nan 0.000 0.497 381 L N -1.392 119.872 121.223 0.069 0.000 2.303 381 L HA 0.827 5.167 4.340 0.001 0.000 0.266 381 L C 0.448 177.345 176.870 0.044 0.000 1.011 381 L CA -1.138 53.747 54.840 0.075 0.000 0.818 381 L CB 2.000 44.139 42.059 0.134 0.000 1.326 381 L HN 0.153 nan 8.230 nan 0.000 0.435 382 K N -0.366 120.047 120.400 0.021 0.000 2.495 382 K HA 0.459 4.779 4.320 0.001 0.000 0.268 382 K C -1.441 175.141 176.600 -0.030 0.000 1.008 382 K CA -0.855 55.435 56.287 0.006 0.000 0.882 382 K CB 1.899 34.412 32.500 0.021 0.000 1.443 382 K HN 0.426 nan 8.250 nan 0.000 0.447 383 C N 2.767 122.034 119.300 -0.054 0.000 2.590 383 C HA 0.007 4.468 4.460 0.001 0.000 0.411 383 C C 2.055 177.012 174.990 -0.055 0.000 1.420 383 C CA 0.001 58.958 59.018 -0.101 0.000 1.643 383 C CB -0.460 27.210 27.740 -0.116 0.000 2.528 383 C HN 0.816 nan 8.230 nan 0.000 0.606 384 K N 1.909 122.260 120.400 -0.082 0.000 2.103 384 K HA -0.043 4.277 4.320 0.001 0.000 0.204 384 K C 1.065 177.646 176.600 -0.031 0.000 1.052 384 K CA 1.067 57.319 56.287 -0.058 0.000 0.945 384 K CB 0.097 32.544 32.500 -0.087 0.000 0.722 384 K HN 0.705 nan 8.250 nan 0.000 0.443 385 S N 0.605 116.282 115.700 -0.038 0.000 2.661 385 S HA 0.108 4.578 4.470 0.001 0.000 0.265 385 S C -0.098 174.540 174.600 0.064 0.000 1.225 385 S CA -0.559 57.649 58.200 0.012 0.000 0.986 385 S CB 1.230 64.437 63.200 0.011 0.000 1.008 385 S HN 0.252 nan 8.310 nan 0.000 0.565 386 Q N 0.237 120.105 119.800 0.114 0.000 2.261 386 Q HA 0.441 4.782 4.340 0.001 0.000 0.252 386 Q C -1.780 174.372 176.000 0.254 0.000 0.915 386 Q CA -0.273 55.630 55.803 0.165 0.000 0.915 386 Q CB 0.554 29.390 28.738 0.162 0.000 1.204 386 Q HN 0.501 nan 8.270 nan 0.000 0.421 387 F N 3.023 122.992 119.950 0.031 0.000 2.507 387 F HA 0.449 4.977 4.527 0.001 0.000 0.328 387 F C -0.927 174.871 175.800 -0.002 0.000 1.136 387 F CA -0.483 57.522 58.000 0.009 0.000 0.930 387 F CB 1.662 40.667 39.000 0.009 0.000 1.166 387 F HN 0.527 nan 8.300 nan 0.000 0.436 388 T N 4.189 118.589 114.554 -0.256 0.000 2.887 388 T HA 0.847 5.198 4.350 0.001 0.000 0.288 388 T C -0.841 173.596 174.700 -0.438 0.000 1.021 388 T CA -0.672 61.243 62.100 -0.308 0.000 1.000 388 T CB 1.830 70.567 68.868 -0.219 0.000 1.034 388 T HN 0.426 nan 8.240 nan 0.000 0.467 389 I N 1.821 122.174 120.570 -0.362 0.000 2.478 389 I HA 0.405 4.575 4.170 0.001 0.000 0.287 389 I C -0.289 175.727 176.117 -0.169 0.000 1.042 389 I CA -0.628 60.492 61.300 -0.300 0.000 1.067 389 I CB 2.568 40.363 38.000 -0.341 0.000 1.233 389 I HN 0.691 nan 8.210 nan 0.000 0.431 390 T N 6.708 121.192 114.554 -0.117 0.000 2.772 390 T HA 0.427 4.777 4.350 0.001 0.000 0.288 390 T C -2.558 172.099 174.700 -0.071 0.000 0.994 390 T CA -1.393 60.648 62.100 -0.098 0.000 0.951 390 T CB 1.351 70.151 68.868 -0.114 0.000 0.933 390 T HN 0.182 nan 8.240 nan 0.000 0.447 391 P HA 0.230 nan 4.420 nan 0.000 0.275 391 P C 1.091 178.368 177.300 -0.038 0.000 1.227 391 P CA -0.254 62.831 63.100 -0.025 0.000 0.781 391 P CB 0.624 32.323 31.700 -0.002 0.000 0.906 392 G N 1.276 110.061 108.800 -0.024 0.000 2.448 392 G HA2 0.022 3.982 3.960 0.001 0.000 0.218 392 G HA3 0.022 3.982 3.960 0.001 0.000 0.218 392 G C 0.178 175.043 174.900 -0.059 0.000 1.135 392 G CA 0.675 45.747 45.100 -0.047 0.000 0.784 392 G HN 0.671 nan 8.290 nan 0.000 0.543 393 S N -2.493 113.185 115.700 -0.037 0.000 2.643 393 S HA 0.423 4.893 4.470 0.001 0.000 0.270 393 S C 0.284 174.878 174.600 -0.010 0.000 1.166 393 S CA -0.507 57.666 58.200 -0.046 0.000 0.815 393 S CB 1.632 64.783 63.200 -0.081 0.000 1.139 393 S HN -0.139 nan 8.310 nan 0.000 0.472 394 E N 0.816 121.021 120.200 0.008 0.000 2.070 394 E HA -0.217 4.134 4.350 0.001 0.000 0.197 394 E C 1.890 178.515 176.600 0.040 0.000 1.004 394 E CA 1.998 58.419 56.400 0.036 0.000 0.805 394 E CB -0.417 29.322 29.700 0.066 0.000 0.744 394 E HN 0.764 nan 8.360 nan 0.000 0.451 395 Q N 0.091 119.900 119.800 0.014 0.000 2.030 395 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 395 Q C 2.409 178.452 176.000 0.070 0.000 0.986 395 Q CA 1.744 57.545 55.803 -0.004 0.000 0.843 395 Q CB -0.174 28.470 28.738 -0.156 0.000 0.904 395 Q HN 0.292 nan 8.270 nan 0.000 0.420 396 I N 0.183 120.790 120.570 0.061 0.000 2.226 396 I HA -0.309 3.862 4.170 0.001 0.000 0.245 396 I C 2.772 178.997 176.117 0.181 0.000 1.100 396 I CA 1.243 62.671 61.300 0.213 0.000 1.374 396 I CB -0.475 37.619 38.000 0.157 0.000 1.057 396 I HN 0.283 nan 8.210 nan 0.000 0.413 397 R N 1.429 121.989 120.500 0.099 0.000 2.070 397 R HA -0.207 4.133 4.340 0.001 0.000 0.232 397 R C 2.425 178.775 176.300 0.083 0.000 1.138 397 R CA 1.910 58.054 56.100 0.073 0.000 0.936 397 R CB -0.361 29.963 30.300 0.041 0.000 0.839 397 R HN 0.336 nan 8.270 nan 0.000 0.429 398 A N 0.217 123.089 122.820 0.086 0.000 1.865 398 A HA -0.174 4.146 4.320 0.001 0.000 0.217 398 A C 2.245 179.893 177.584 0.106 0.000 1.191 398 A CA 2.327 54.413 52.037 0.082 0.000 0.623 398 A CB -1.089 17.960 19.000 0.082 0.000 0.826 398 A HN 0.548 nan 8.150 nan 0.000 0.444 399 T N 0.837 115.501 114.554 0.183 0.000 2.821 399 T HA -0.105 4.246 4.350 0.001 0.000 0.267 399 T C 1.800 176.596 174.700 0.161 0.000 1.046 399 T CA 1.558 63.790 62.100 0.219 0.000 1.139 399 T CB -0.624 68.497 68.868 0.421 0.000 0.871 399 T HN 0.721 nan 8.240 nan 0.000 0.454 400 I N -0.008 120.646 120.570 0.140 0.000 2.676 400 I HA 0.094 4.264 4.170 0.001 0.000 0.259 400 I C 2.362 178.450 176.117 -0.048 0.000 1.194 400 I CA 1.232 62.529 61.300 -0.005 0.000 1.473 400 I CB -0.340 37.736 38.000 0.127 0.000 1.096 400 I HN 0.010 nan 8.210 nan 0.000 0.443 401 E N 1.939 122.143 120.200 0.007 0.000 2.028 401 E HA -0.215 4.136 4.350 0.001 0.000 0.191 401 E C 2.429 179.012 176.600 -0.028 0.000 0.988 401 E CA 1.282 57.682 56.400 0.000 0.000 0.799 401 E CB -0.255 29.457 29.700 0.020 0.000 0.755 401 E HN 0.343 nan 8.360 nan 0.000 0.447 402 R N 0.425 120.911 120.500 -0.024 0.000 2.073 402 R HA -0.123 4.217 4.340 0.001 0.000 0.234 402 R C 0.648 176.892 176.300 -0.093 0.000 1.134 402 R CA 1.744 57.822 56.100 -0.037 0.000 0.952 402 R CB -0.343 29.952 30.300 -0.009 0.000 0.850 402 R HN 0.179 nan 8.270 nan 0.000 0.433 403 D N -1.069 119.222 120.400 -0.182 0.000 2.336 403 D HA 0.097 4.738 4.640 0.001 0.000 0.229 403 D C 0.972 177.040 176.300 -0.387 0.000 1.061 403 D CA 0.944 54.758 54.000 -0.311 0.000 0.875 403 D CB 0.409 40.948 40.800 -0.436 0.000 0.904 403 D HN 0.581 nan 8.370 nan 0.000 0.525 404 G N 0.276 108.934 108.800 -0.236 0.000 2.195 404 G HA2 -0.380 3.580 3.960 0.001 0.000 0.246 404 G HA3 -0.380 3.580 3.960 0.001 0.000 0.246 404 G C 0.889 175.792 174.900 0.004 0.000 0.984 404 G CA 0.231 45.271 45.100 -0.100 0.000 0.633 404 G HN 0.286 nan 8.290 nan 0.000 0.525 405 Y N 0.499 120.782 120.300 -0.028 0.000 2.263 405 Y HA 0.347 4.897 4.550 0.001 0.000 0.292 405 Y C 3.105 178.991 175.900 -0.023 0.000 1.130 405 Y CA 1.153 59.228 58.100 -0.042 0.000 1.179 405 Y CB -1.189 37.212 38.460 -0.098 0.000 0.998 405 Y HN 0.409 nan 8.280 nan 0.000 0.532 406 A N -0.102 122.798 122.820 0.133 0.000 1.940 406 A HA -0.277 4.043 4.320 0.001 0.000 0.219 406 A C 2.164 179.784 177.584 0.061 0.000 1.176 406 A CA 2.033 54.115 52.037 0.074 0.000 0.631 406 A CB -0.649 18.377 19.000 0.042 0.000 0.814 406 A HN 0.391 nan 8.150 nan 0.000 0.446 407 Q N -0.480 119.355 119.800 0.058 0.000 2.311 407 Q HA -0.004 4.336 4.340 0.001 0.000 0.203 407 Q C 1.775 177.815 176.000 0.067 0.000 0.954 407 Q CA 1.413 57.246 55.803 0.051 0.000 0.885 407 Q CB -0.371 28.388 28.738 0.036 0.000 0.963 407 Q HN 0.380 nan 8.270 nan 0.000 0.471 408 V N 0.098 120.064 119.914 0.087 0.000 2.358 408 V HA -0.227 3.893 4.120 0.001 0.000 0.246 408 V C 2.125 178.287 176.094 0.114 0.000 1.047 408 V CA 1.467 63.821 62.300 0.090 0.000 1.035 408 V CB -0.521 31.361 31.823 0.097 0.000 0.658 408 V HN 0.349 nan 8.190 nan 0.000 0.452 409 L N -0.551 120.748 121.223 0.128 0.000 2.046 409 L HA -0.191 4.150 4.340 0.001 0.000 0.208 409 L C 2.780 179.742 176.870 0.154 0.000 1.077 409 L CA 1.743 56.690 54.840 0.178 0.000 0.747 409 L CB -0.608 41.506 42.059 0.092 0.000 0.896 409 L HN 0.221 nan 8.230 nan 0.000 0.432 410 R N -0.039 120.513 120.500 0.086 0.000 2.066 410 R HA -0.141 4.199 4.340 0.001 0.000 0.232 410 R C 1.939 178.290 176.300 0.086 0.000 1.131 410 R CA 1.541 57.684 56.100 0.072 0.000 0.955 410 R CB -0.346 29.980 30.300 0.045 0.000 0.851 410 R HN 0.355 nan 8.270 nan 0.000 0.432 411 D N 0.189 120.635 120.400 0.077 0.000 2.218 411 D HA -0.110 4.530 4.640 0.001 0.000 0.204 411 D C 1.783 178.130 176.300 0.078 0.000 0.976 411 D CA 1.202 55.242 54.000 0.065 0.000 0.853 411 D CB -0.005 40.826 40.800 0.051 0.000 0.939 411 D HN 0.186 nan 8.370 nan 0.000 0.481 412 V N -2.303 117.676 119.914 0.109 0.000 3.380 412 V HA 0.289 4.409 4.120 0.001 0.000 0.268 412 V C 1.546 177.711 176.094 0.119 0.000 1.168 412 V CA 0.754 63.111 62.300 0.094 0.000 1.156 412 V CB -0.552 31.314 31.823 0.071 0.000 0.785 412 V HN 0.243 nan 8.190 nan 0.000 0.487 413 G N -0.798 108.098 108.800 0.161 0.000 2.155 413 G HA2 0.052 4.012 3.960 0.001 0.000 0.135 413 G HA3 0.052 4.012 3.960 0.001 0.000 0.135 413 G C 0.217 175.264 174.900 0.246 0.000 1.023 413 G CA -0.409 44.788 45.100 0.163 0.000 0.688 413 G HN 1.147 nan 8.290 nan 0.000 0.499 414 G N -0.593 108.360 108.800 0.255 0.000 2.410 414 G HA2 0.729 4.689 3.960 0.001 0.000 0.330 414 G HA3 0.729 4.689 3.960 0.001 0.000 0.330 414 G C -0.542 174.345 174.900 -0.021 0.000 1.142 414 G CA -0.678 44.474 45.100 0.086 0.000 0.902 414 G HN 0.912 nan 8.290 nan 0.000 0.491 415 I N 1.298 121.822 120.570 -0.078 0.000 2.412 415 I HA 0.510 4.680 4.170 0.001 0.000 0.296 415 I C -0.272 175.773 176.117 -0.120 0.000 0.987 415 I CA -0.959 60.304 61.300 -0.060 0.000 1.180 415 I CB 2.010 40.000 38.000 -0.017 0.000 1.340 415 I HN 0.221 nan 8.210 nan 0.000 0.455 416 V N 8.053 127.917 119.914 -0.084 0.000 2.432 416 V HA 0.369 4.489 4.120 0.001 0.000 0.275 416 V C 0.395 176.447 176.094 -0.070 0.000 1.043 416 V CA -0.487 61.761 62.300 -0.088 0.000 0.925 416 V CB 0.812 32.602 31.823 -0.054 0.000 0.985 416 V HN 0.588 nan 8.190 nan 0.000 0.466 417 L N 3.293 124.465 121.223 -0.085 0.000 2.376 417 L HA 0.758 5.099 4.340 0.001 0.000 0.267 417 L C 0.869 177.704 176.870 -0.059 0.000 1.035 417 L CA -0.860 53.936 54.840 -0.073 0.000 0.800 417 L CB 1.105 43.100 42.059 -0.106 0.000 1.290 417 L HN 0.695 nan 8.230 nan 0.000 0.462 418 A N 0.542 123.334 122.820 -0.047 0.000 2.536 418 A HA 0.040 4.361 4.320 0.001 0.000 0.234 418 A C 0.030 177.581 177.584 -0.055 0.000 1.076 418 A CA -0.246 51.768 52.037 -0.038 0.000 0.769 418 A CB -0.223 18.762 19.000 -0.026 0.000 1.020 418 A HN 0.769 nan 8.150 nan 0.000 0.508 419 N N 1.048 119.720 118.700 -0.048 0.000 2.819 419 N HA 0.426 5.166 4.740 0.001 0.000 0.284 419 N C -0.278 175.182 175.510 -0.083 0.000 1.196 419 N CA 0.908 53.921 53.050 -0.061 0.000 1.114 419 N CB 0.061 38.524 38.487 -0.041 0.000 1.437 419 N HN 0.809 nan 8.380 nan 0.000 0.518 420 A N -0.459 122.294 122.820 -0.112 0.000 2.610 420 A HA 0.362 4.682 4.320 0.001 0.000 0.291 420 A C 0.878 178.337 177.584 -0.209 0.000 1.086 420 A CA -0.725 51.228 52.037 -0.141 0.000 0.677 420 A CB 0.300 19.240 19.000 -0.100 0.000 1.278 420 A HN 0.428 nan 8.150 nan 0.000 0.414 421 C N 0.167 119.291 119.300 -0.294 0.000 2.376 421 C HA 0.256 4.717 4.460 0.001 0.000 0.275 421 C C 2.415 177.209 174.990 -0.327 0.000 1.200 421 C CA 1.800 60.588 59.018 -0.382 0.000 1.756 421 C CB -1.668 25.751 27.740 -0.536 0.000 2.050 421 C HN 2.302 nan 8.230 nan 0.000 0.460 422 G N 0.630 109.292 108.800 -0.231 0.000 2.561 422 G HA2 -0.290 3.670 3.960 0.001 0.000 0.289 422 G HA3 -0.290 3.670 3.960 0.001 0.000 0.289 422 G C -1.453 173.361 174.900 -0.145 0.000 1.169 422 G CA 0.437 45.437 45.100 -0.168 0.000 0.980 422 G HN 0.271 nan 8.290 nan 0.000 0.550 423 P HA -0.019 nan 4.420 nan 0.000 0.222 423 P C 2.060 179.362 177.300 0.003 0.000 1.142 423 P CA 1.711 64.741 63.100 -0.116 0.000 0.788 423 P CB -0.206 31.188 31.700 -0.511 0.000 0.767 424 C N -0.850 118.316 119.300 -0.225 0.000 2.457 424 C HA -0.036 4.425 4.460 0.001 0.000 0.278 424 C C 1.553 176.486 174.990 -0.095 0.000 1.309 424 C CA 0.361 59.200 59.018 -0.299 0.000 1.735 424 C CB -1.492 25.785 27.740 -0.770 0.000 1.992 424 C HN 0.079 nan 8.230 nan 0.000 0.493 425 I N 1.029 121.560 120.570 -0.066 0.000 3.712 425 I HA 0.412 4.582 4.170 0.001 0.000 0.342 425 I C 1.409 177.580 176.117 0.090 0.000 1.487 425 I CA 0.577 61.902 61.300 0.041 0.000 1.179 425 I CB -1.027 37.022 38.000 0.082 0.000 1.403 425 I HN 0.320 nan 8.210 nan 0.000 0.444 426 G N 0.971 109.847 108.800 0.125 0.000 2.258 426 G HA2 -0.275 3.685 3.960 0.001 0.000 0.274 426 G HA3 -0.275 3.685 3.960 0.001 0.000 0.274 426 G C 0.425 175.430 174.900 0.176 0.000 1.021 426 G CA -0.068 45.146 45.100 0.190 0.000 0.798 426 G HN 0.515 nan 8.290 nan 0.000 0.507 427 Q N -1.045 118.831 119.800 0.127 0.000 3.150 427 Q HA 0.266 4.607 4.340 0.001 0.000 0.297 427 Q C -0.465 175.641 176.000 0.177 0.000 1.382 427 Q CA -0.244 55.623 55.803 0.108 0.000 1.059 427 Q CB 0.482 29.245 28.738 0.041 0.000 1.559 427 Q HN 0.520 nan 8.270 nan 0.000 0.548 428 W N 1.674 122.978 121.300 0.008 0.000 2.683 428 W HA 0.262 4.922 4.660 0.001 0.000 0.329 428 W C -1.185 175.339 176.519 0.008 0.000 1.037 428 W CA -1.714 55.639 57.345 0.013 0.000 1.232 428 W CB 1.359 30.837 29.460 0.029 0.000 1.390 428 W HN 0.154 nan 8.180 nan 0.000 0.465 429 D N 4.739 125.329 120.400 0.316 0.000 2.500 429 D HA 0.173 4.813 4.640 0.001 0.000 0.219 429 D C -0.154 176.121 176.300 -0.042 0.000 1.137 429 D CA -0.220 53.830 54.000 0.083 0.000 0.946 429 D CB 0.170 41.017 40.800 0.077 0.000 1.022 429 D HN 0.332 nan 8.370 nan 0.000 0.518 430 R N 1.986 122.245 120.500 -0.401 0.000 2.297 430 R HA 0.373 4.713 4.340 0.001 0.000 0.308 430 R C 0.155 176.253 176.300 -0.337 0.000 1.029 430 R CA -0.223 55.459 56.100 -0.698 0.000 0.929 430 R CB 0.757 30.107 30.300 -1.582 0.000 1.046 430 R HN 0.118 nan 8.270 nan 0.000 0.461 431 K N 2.272 122.553 120.400 -0.198 0.000 2.520 431 K HA 0.025 4.345 4.320 0.001 0.000 0.206 431 K C -0.153 176.398 176.600 -0.082 0.000 1.122 431 K CA 0.147 56.363 56.287 -0.117 0.000 1.045 431 K CB 0.866 33.331 32.500 -0.059 0.000 0.932 431 K HN 0.778 nan 8.250 nan 0.000 0.571 432 D N 1.409 121.759 120.400 -0.083 0.000 2.378 432 D HA -0.054 4.586 4.640 0.001 0.000 0.227 432 D C 0.523 176.796 176.300 -0.046 0.000 1.012 432 D CA 0.279 54.254 54.000 -0.042 0.000 0.905 432 D CB -0.267 40.526 40.800 -0.011 0.000 0.895 432 D HN 0.299 nan 8.370 nan 0.000 0.532 433 I N -2.997 117.530 120.570 -0.072 0.000 2.769 433 I HA 0.434 4.604 4.170 0.001 0.000 0.298 433 I C -0.281 175.807 176.117 -0.049 0.000 1.128 433 I CA -1.561 59.708 61.300 -0.052 0.000 1.031 433 I CB 2.042 40.007 38.000 -0.060 0.000 1.235 433 I HN -0.284 nan 8.210 nan 0.000 0.423 434 K N 2.385 122.769 120.400 -0.026 0.000 2.155 434 K HA 0.479 4.799 4.320 0.001 0.000 0.237 434 K C -0.278 176.309 176.600 -0.022 0.000 1.040 434 K CA -0.787 55.486 56.287 -0.023 0.000 0.912 434 K CB 0.511 33.006 32.500 -0.009 0.000 1.137 434 K HN 0.470 nan 8.250 nan 0.000 0.498 435 K N -0.637 119.754 120.400 -0.016 0.000 2.295 435 K HA 0.225 4.546 4.320 0.001 0.000 0.270 435 K C 0.644 177.249 176.600 0.010 0.000 1.011 435 K CA 1.328 57.610 56.287 -0.008 0.000 0.953 435 K CB 0.470 32.968 32.500 -0.003 0.000 0.956 435 K HN 0.838 nan 8.250 nan 0.000 0.477 436 G N 1.735 110.549 108.800 0.023 0.000 2.179 436 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 436 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 436 G C -0.007 174.924 174.900 0.051 0.000 0.977 436 G CA 0.411 45.534 45.100 0.039 0.000 0.641 436 G HN 0.604 nan 8.290 nan 0.000 0.533 437 E N 0.486 120.712 120.200 0.043 0.000 2.331 437 E HA 0.414 4.764 4.350 0.001 0.000 0.272 437 E C 0.285 176.938 176.600 0.087 0.000 1.036 437 E CA -0.610 55.821 56.400 0.051 0.000 0.864 437 E CB 0.433 30.149 29.700 0.027 0.000 1.035 437 E HN 0.258 nan 8.360 nan 0.000 0.408 438 K N 3.944 124.411 120.400 0.112 0.000 2.276 438 K HA 0.121 4.442 4.320 0.001 0.000 0.285 438 K C -0.805 175.882 176.600 0.145 0.000 1.062 438 K CA -0.403 55.993 56.287 0.182 0.000 0.918 438 K CB 0.322 32.926 32.500 0.174 0.000 1.055 438 K HN 0.522 nan 8.250 nan 0.000 0.477 439 N N 1.370 120.186 118.700 0.193 0.000 2.825 439 N HA 0.228 4.968 4.740 0.001 0.000 0.253 439 N C -1.594 174.025 175.510 0.182 0.000 1.426 439 N CA -0.708 52.423 53.050 0.135 0.000 0.851 439 N CB 1.702 40.242 38.487 0.089 0.000 1.470 439 N HN 0.213 nan 8.380 nan 0.000 0.517 440 T N 0.934 115.579 114.554 0.151 0.000 2.779 440 T HA 0.597 4.947 4.350 0.001 0.000 0.280 440 T C -0.057 174.746 174.700 0.172 0.000 0.987 440 T CA -0.613 61.616 62.100 0.215 0.000 0.966 440 T CB 0.071 69.060 68.868 0.201 0.000 0.933 440 T HN 0.531 nan 8.240 nan 0.000 0.442 441 I N 1.389 122.073 120.570 0.191 0.000 2.406 441 I HA 0.812 4.983 4.170 0.001 0.000 0.290 441 I C -0.293 175.908 176.117 0.140 0.000 0.999 441 I CA -1.353 60.040 61.300 0.156 0.000 1.124 441 I CB 1.588 39.698 38.000 0.183 0.000 1.289 441 I HN 0.329 nan 8.210 nan 0.000 0.441 442 V N 2.483 122.446 119.914 0.083 0.000 2.435 442 V HA 0.855 4.975 4.120 0.001 0.000 0.290 442 V C 0.316 176.366 176.094 -0.073 0.000 1.030 442 V CA -0.011 62.323 62.300 0.057 0.000 0.881 442 V CB 0.897 32.740 31.823 0.033 0.000 0.983 442 V HN 0.969 nan 8.190 nan 0.000 0.445 443 T N 0.322 114.775 114.554 -0.167 0.000 2.916 443 T HA 0.573 4.923 4.350 0.001 0.000 0.292 443 T C 0.468 175.012 174.700 -0.261 0.000 1.064 443 T CA 0.040 61.882 62.100 -0.431 0.000 1.011 443 T CB 1.788 70.097 68.868 -0.931 0.000 1.152 443 T HN 1.350 nan 8.240 nan 0.000 0.510 444 S N 0.479 116.031 115.700 -0.246 0.000 2.552 444 S HA 0.309 4.779 4.470 0.001 0.000 0.246 444 S C -0.140 174.529 174.600 0.114 0.000 1.019 444 S CA -0.720 57.464 58.200 -0.026 0.000 1.045 444 S CB -0.866 62.351 63.200 0.028 0.000 0.784 444 S HN 0.616 nan 8.310 nan 0.000 0.453 445 Y N 3.173 123.433 120.300 -0.066 0.000 2.803 445 Y HA 0.406 4.957 4.550 0.001 0.000 0.427 445 Y C 1.766 177.601 175.900 -0.108 0.000 1.339 445 Y CA -0.973 57.064 58.100 -0.104 0.000 1.702 445 Y CB -0.427 37.963 38.460 -0.116 0.000 1.659 445 Y HN 0.504 nan 8.280 nan 0.000 0.721 446 N N -1.556 117.177 118.700 0.056 0.000 2.272 446 N HA 0.188 4.928 4.740 0.001 0.000 0.228 446 N C -0.447 175.019 175.510 -0.073 0.000 1.206 446 N CA -0.203 52.838 53.050 -0.015 0.000 0.855 446 N CB 0.647 39.110 38.487 -0.041 0.000 1.248 446 N HN 0.208 nan 8.380 nan 0.000 0.476 447 R N 0.012 120.424 120.500 -0.145 0.000 2.803 447 R HA 0.499 4.839 4.340 0.001 0.000 0.276 447 R C -0.936 175.151 176.300 -0.355 0.000 0.978 447 R CA -0.678 55.155 56.100 -0.444 0.000 0.939 447 R CB 1.115 31.003 30.300 -0.687 0.000 1.179 447 R HN 0.304 nan 8.270 nan 0.000 0.472 448 N N 0.764 119.175 118.700 -0.483 0.000 2.471 448 N HA 0.080 4.820 4.740 0.001 0.000 0.270 448 N C -1.099 174.368 175.510 -0.071 0.000 1.490 448 N CA -0.321 52.576 53.050 -0.255 0.000 0.850 448 N CB 0.156 38.481 38.487 -0.270 0.000 1.411 448 N HN 0.175 nan 8.380 nan 0.000 0.488 449 F N 1.636 121.590 119.950 0.007 0.000 2.553 449 F HA 0.236 4.763 4.527 0.001 0.000 0.356 449 F C 1.358 177.192 175.800 0.057 0.000 1.142 449 F CA -0.699 57.350 58.000 0.081 0.000 1.322 449 F CB -0.116 38.956 39.000 0.120 0.000 1.126 449 F HN -0.123 nan 8.300 nan 0.000 0.599 450 T N 2.100 116.866 114.554 0.354 0.000 2.765 450 T HA 0.287 4.637 4.350 0.001 0.000 0.275 450 T C 1.198 175.959 174.700 0.101 0.000 1.007 450 T CA 0.965 63.211 62.100 0.243 0.000 1.175 450 T CB -0.380 68.553 68.868 0.109 0.000 0.993 450 T HN 1.088 nan 8.240 nan 0.000 0.510 451 G N 3.173 112.030 108.800 0.095 0.000 2.166 451 G HA2 -0.379 3.581 3.960 0.001 0.000 0.260 451 G HA3 -0.379 3.581 3.960 0.001 0.000 0.260 451 G C 0.987 175.944 174.900 0.095 0.000 0.986 451 G CA 0.741 45.885 45.100 0.074 0.000 0.683 451 G HN 0.763 nan 8.290 nan 0.000 0.527 452 R N 0.118 120.686 120.500 0.112 0.000 2.115 452 R HA 0.007 4.347 4.340 0.001 0.000 0.226 452 R C 2.188 178.577 176.300 0.148 0.000 1.100 452 R CA 1.774 57.955 56.100 0.134 0.000 0.980 452 R CB -0.255 30.132 30.300 0.146 0.000 0.875 452 R HN 0.572 nan 8.270 nan 0.000 0.445 453 N N -0.157 118.645 118.700 0.169 0.000 2.405 453 N HA -0.060 4.680 4.740 0.001 0.000 0.175 453 N C -0.244 175.472 175.510 0.344 0.000 1.051 453 N CA 0.965 54.183 53.050 0.280 0.000 0.899 453 N CB 0.556 39.251 38.487 0.347 0.000 1.000 453 N HN 0.312 nan 8.380 nan 0.000 0.451 454 D N -1.077 119.429 120.400 0.177 0.000 2.651 454 D HA 0.275 4.915 4.640 0.001 0.000 0.280 454 D C 0.394 176.708 176.300 0.023 0.000 1.496 454 D CA -0.188 53.841 54.000 0.049 0.000 0.792 454 D CB -0.378 40.326 40.800 -0.159 0.000 1.144 454 D HN 0.021 nan 8.370 nan 0.000 0.470 455 A N 0.407 123.269 122.820 0.070 0.000 2.799 455 A HA -0.316 4.004 4.320 0.001 0.000 0.274 455 A C 0.353 177.962 177.584 0.041 0.000 1.393 455 A CA 1.201 53.279 52.037 0.068 0.000 0.909 455 A CB -2.531 16.512 19.000 0.073 0.000 1.012 455 A HN 0.469 nan 8.150 nan 0.000 0.653 456 N N -0.266 118.449 118.700 0.025 0.000 2.485 456 N HA 0.439 5.179 4.740 0.001 0.000 0.243 456 N C -1.100 174.440 175.510 0.050 0.000 0.987 456 N CA -1.989 51.074 53.050 0.023 0.000 0.940 456 N CB 1.120 39.604 38.487 -0.005 0.000 1.122 456 N HN 0.161 nan 8.380 nan 0.000 0.509 457 P HA -0.064 nan 4.420 nan 0.000 0.231 457 P C 0.187 177.576 177.300 0.149 0.000 1.158 457 P CA 0.888 64.046 63.100 0.097 0.000 0.763 457 P CB 0.580 32.312 31.700 0.052 0.000 0.805 458 E N -0.567 119.705 120.200 0.121 0.000 2.465 458 E HA 0.090 4.441 4.350 0.001 0.000 0.195 458 E C -0.036 176.662 176.600 0.164 0.000 1.028 458 E CA 0.073 56.571 56.400 0.164 0.000 0.899 458 E CB 0.070 29.864 29.700 0.157 0.000 1.032 458 E HN 0.072 nan 8.360 nan 0.000 0.468 459 T N 0.882 115.476 114.554 0.067 0.000 2.779 459 T HA 0.118 4.468 4.350 0.001 0.000 0.296 459 T C -0.519 174.045 174.700 -0.226 0.000 0.938 459 T CA -0.072 62.037 62.100 0.016 0.000 1.119 459 T CB 0.043 68.907 68.868 -0.006 0.000 0.891 459 T HN 0.057 nan 8.240 nan 0.000 0.526 460 H N 2.015 120.975 119.070 -0.184 0.000 2.690 460 H HA 0.548 5.104 4.556 0.001 0.000 0.289 460 H C 0.134 175.194 175.328 -0.446 0.000 1.089 460 H CA -0.293 55.477 56.048 -0.463 0.000 1.299 460 H CB 0.523 30.215 29.762 -0.118 0.000 1.405 460 H HN 0.677 nan 8.280 nan 0.000 0.463 461 A N 4.016 126.451 122.820 -0.641 0.000 2.304 461 A HA 0.615 4.935 4.320 0.001 0.000 0.323 461 A C -1.071 176.137 177.584 -0.628 0.000 1.195 461 A CA -0.544 51.251 52.037 -0.402 0.000 0.826 461 A CB 0.277 19.110 19.000 -0.280 0.000 1.184 461 A HN 0.510 nan 8.150 nan 0.000 0.496 462 F N 1.549 121.407 119.950 -0.153 0.000 2.495 462 F HA 0.520 5.047 4.527 0.001 0.000 0.327 462 F C 0.291 176.029 175.800 -0.103 0.000 1.103 462 F CA -0.756 57.174 58.000 -0.117 0.000 0.949 462 F CB 2.329 41.287 39.000 -0.071 0.000 1.142 462 F HN 0.467 nan 8.300 nan 0.000 0.457 463 V N -0.079 119.870 119.914 0.058 0.000 2.483 463 V HA 0.900 5.020 4.120 0.001 0.000 0.295 463 V C -0.335 175.792 176.094 0.055 0.000 1.035 463 V CA -0.160 62.150 62.300 0.017 0.000 0.896 463 V CB 1.078 32.894 31.823 -0.013 0.000 0.986 463 V HN 0.900 nan 8.190 nan 0.000 0.447 464 T N 2.201 116.777 114.554 0.037 0.000 2.587 464 T HA 0.561 4.912 4.350 0.001 0.000 0.282 464 T C -0.135 174.591 174.700 0.044 0.000 1.018 464 T CA 0.255 62.386 62.100 0.052 0.000 1.120 464 T CB 1.573 70.472 68.868 0.051 0.000 1.538 464 T HN 1.376 nan 8.240 nan 0.000 0.480 465 S N 1.619 117.354 115.700 0.058 0.000 2.616 465 S HA 0.473 4.944 4.470 0.001 0.000 0.277 465 S C -1.768 172.875 174.600 0.072 0.000 1.234 465 S CA -1.057 57.182 58.200 0.064 0.000 1.028 465 S CB 1.261 64.513 63.200 0.087 0.000 0.988 465 S HN 0.615 nan 8.310 nan 0.000 0.522 466 P HA -0.230 nan 4.420 nan 0.000 0.216 466 P C 1.298 178.667 177.300 0.114 0.000 1.153 466 P CA 1.545 64.692 63.100 0.077 0.000 0.858 466 P CB -0.039 31.688 31.700 0.045 0.000 0.789 467 E N -0.527 119.753 120.200 0.134 0.000 2.208 467 E HA -0.093 4.257 4.350 0.001 0.000 0.193 467 E C 2.063 178.843 176.600 0.299 0.000 0.988 467 E CA 0.834 57.364 56.400 0.216 0.000 0.828 467 E CB -0.813 29.026 29.700 0.232 0.000 0.763 467 E HN 0.229 nan 8.360 nan 0.000 0.478 468 I N 1.345 122.036 120.570 0.201 0.000 2.400 468 I HA -0.117 4.053 4.170 0.001 0.000 0.248 468 I C 2.592 178.733 176.117 0.041 0.000 1.109 468 I CA 0.371 61.713 61.300 0.071 0.000 1.425 468 I CB -0.721 37.288 38.000 0.014 0.000 1.094 468 I HN -0.045 nan 8.210 nan 0.000 0.425 469 V N 1.308 121.258 119.914 0.059 0.000 2.282 469 V HA -0.332 3.789 4.120 0.001 0.000 0.249 469 V C 2.592 178.710 176.094 0.039 0.000 1.057 469 V CA 2.585 64.917 62.300 0.053 0.000 1.032 469 V CB -1.096 30.777 31.823 0.085 0.000 0.645 469 V HN 0.439 nan 8.190 nan 0.000 0.447 470 T N 0.199 114.796 114.554 0.071 0.000 2.746 470 T HA -0.179 4.172 4.350 0.001 0.000 0.267 470 T C 2.022 176.668 174.700 -0.090 0.000 1.039 470 T CA 1.605 63.665 62.100 -0.067 0.000 1.142 470 T CB -0.480 68.423 68.868 0.059 0.000 0.866 470 T HN 0.592 nan 8.240 nan 0.000 0.444 471 A N 1.293 124.136 122.820 0.038 0.000 1.902 471 A HA 0.044 4.364 4.320 0.001 0.000 0.217 471 A C 2.310 179.898 177.584 0.005 0.000 1.181 471 A CA 1.149 53.227 52.037 0.069 0.000 0.623 471 A CB -0.804 18.262 19.000 0.109 0.000 0.818 471 A HN 0.481 nan 8.150 nan 0.000 0.443 472 L N -0.968 120.259 121.223 0.006 0.000 2.156 472 L HA -0.116 4.224 4.340 0.001 0.000 0.208 472 L C 2.997 179.803 176.870 -0.107 0.000 1.095 472 L CA 0.830 55.662 54.840 -0.013 0.000 0.770 472 L CB -0.515 41.538 42.059 -0.011 0.000 0.914 472 L HN 0.436 nan 8.230 nan 0.000 0.439 473 A N 0.280 123.010 122.820 -0.150 0.000 1.969 473 A HA -0.124 4.196 4.320 0.001 0.000 0.218 473 A C 2.198 179.632 177.584 -0.251 0.000 1.169 473 A CA 1.207 53.120 52.037 -0.207 0.000 0.635 473 A CB -0.501 18.284 19.000 -0.358 0.000 0.810 473 A HN 0.339 nan 8.150 nan 0.000 0.445 474 I N -0.584 119.820 120.570 -0.276 0.000 2.394 474 I HA -0.220 3.951 4.170 0.001 0.000 0.251 474 I C 2.771 178.728 176.117 -0.267 0.000 1.136 474 I CA 1.026 62.181 61.300 -0.241 0.000 1.425 474 I CB -0.082 37.801 38.000 -0.194 0.000 1.079 474 I HN 0.358 nan 8.210 nan 0.000 0.425 475 A N -0.080 122.521 122.820 -0.365 0.000 1.984 475 A HA 0.222 4.543 4.320 0.001 0.000 0.214 475 A C 2.000 179.427 177.584 -0.261 0.000 1.173 475 A CA 0.911 52.671 52.037 -0.462 0.000 0.673 475 A CB -0.581 17.909 19.000 -0.850 0.000 0.830 475 A HN 0.497 nan 8.150 nan 0.000 0.453 476 G N -1.454 107.239 108.800 -0.178 0.000 2.168 476 G HA2 -0.180 3.780 3.960 0.001 0.000 0.257 476 G HA3 -0.180 3.780 3.960 0.001 0.000 0.257 476 G C 0.355 175.207 174.900 -0.078 0.000 0.997 476 G CA 1.091 46.129 45.100 -0.103 0.000 0.708 476 G HN 1.437 nan 8.290 nan 0.000 0.520 477 T N -1.401 113.105 114.554 -0.080 0.000 2.956 477 T HA 0.560 4.910 4.350 0.001 0.000 0.312 477 T C 1.319 175.998 174.700 -0.036 0.000 1.151 477 T CA -0.312 61.757 62.100 -0.052 0.000 1.024 477 T CB 1.167 70.008 68.868 -0.043 0.000 1.140 477 T HN 0.210 nan 8.240 nan 0.000 0.473 478 L N 2.399 123.578 121.223 -0.072 0.000 2.291 478 L HA 0.177 4.517 4.340 0.001 0.000 0.214 478 L C 1.367 178.195 176.870 -0.071 0.000 1.120 478 L CA 0.854 55.624 54.840 -0.115 0.000 0.799 478 L CB -0.128 41.810 42.059 -0.202 0.000 0.925 478 L HN 0.543 nan 8.230 nan 0.000 0.446 479 K N 0.993 121.372 120.400 -0.035 0.000 2.278 479 K HA 0.178 4.498 4.320 0.001 0.000 0.237 479 K C -0.981 175.658 176.600 0.065 0.000 1.229 479 K CA 0.018 56.294 56.287 -0.019 0.000 1.155 479 K CB -0.232 32.257 32.500 -0.020 0.000 1.590 479 K HN -0.080 nan 8.250 nan 0.000 0.290 480 F N 1.832 121.697 119.950 -0.142 0.000 2.722 480 F HA 0.192 4.720 4.527 0.000 0.000 0.336 480 F C -1.651 174.030 175.800 -0.199 0.000 1.216 480 F CA -1.290 56.614 58.000 -0.160 0.000 1.065 480 F CB 1.199 40.102 39.000 -0.162 0.000 1.325 480 F HN 0.109 nan 8.300 nan 0.000 0.524 481 N N 8.036 126.203 118.700 -0.889 0.000 2.457 481 N HA 0.473 5.214 4.740 0.001 0.000 0.250 481 N C -2.317 172.467 175.510 -1.211 0.000 0.982 481 N CA -2.622 49.940 53.050 -0.814 0.000 0.941 481 N CB 2.075 40.272 38.487 -0.484 0.000 1.120 481 N HN 0.249 nan 8.380 nan 0.000 0.505 482 P HA -0.075 nan 4.420 nan 0.000 0.218 482 P C 0.621 177.511 177.300 -0.682 0.000 1.149 482 P CA 1.135 63.628 63.100 -1.012 0.000 0.817 482 P CB 0.464 31.562 31.700 -1.002 0.000 0.785 483 E N -0.862 118.919 120.200 -0.699 0.000 2.072 483 E HA -0.127 4.224 4.350 0.001 0.000 0.191 483 E C 1.809 178.221 176.600 -0.313 0.000 0.985 483 E CA 1.992 58.161 56.400 -0.386 0.000 0.801 483 E CB -0.391 29.117 29.700 -0.321 0.000 0.750 483 E HN 0.425 nan 8.360 nan 0.000 0.452 484 T N -1.017 113.309 114.554 -0.380 0.000 2.988 484 T HA -0.010 4.340 4.350 0.001 0.000 0.240 484 T C 0.813 175.310 174.700 -0.338 0.000 1.014 484 T CA -0.098 61.832 62.100 -0.284 0.000 1.155 484 T CB -0.169 68.573 68.868 -0.210 0.000 0.872 484 T HN -0.160 nan 8.240 nan 0.000 0.440 485 D N 1.227 121.400 120.400 -0.378 0.000 2.371 485 D HA 0.386 5.027 4.640 0.001 0.000 0.242 485 D C -0.967 175.171 176.300 -0.270 0.000 1.218 485 D CA -0.155 53.729 54.000 -0.193 0.000 0.945 485 D CB 0.298 41.025 40.800 -0.122 0.000 1.137 485 D HN 0.265 nan 8.370 nan 0.000 0.464 486 F N 0.133 120.086 119.950 0.004 0.000 2.482 486 F HA 0.262 4.790 4.527 0.001 0.000 0.331 486 F C 0.234 175.932 175.800 -0.171 0.000 1.115 486 F CA -0.959 56.986 58.000 -0.091 0.000 0.955 486 F CB 1.050 39.998 39.000 -0.088 0.000 1.136 486 F HN -0.027 nan 8.300 nan 0.000 0.452 487 L N 1.503 122.520 121.223 -0.343 0.000 2.488 487 L HA 0.561 4.902 4.340 0.001 0.000 0.249 487 L C 0.246 176.930 176.870 -0.311 0.000 1.151 487 L CA -0.056 54.486 54.840 -0.497 0.000 0.806 487 L CB 1.081 42.566 42.059 -0.957 0.000 1.261 487 L HN 0.522 nan 8.230 nan 0.000 0.484 488 T N 0.377 114.868 114.554 -0.105 0.000 2.841 488 T HA 0.622 4.973 4.350 0.001 0.000 0.285 488 T C 0.091 174.943 174.700 0.253 0.000 0.991 488 T CA -0.553 61.600 62.100 0.087 0.000 0.966 488 T CB 1.391 70.283 68.868 0.041 0.000 0.962 488 T HN 0.745 nan 8.240 nan 0.000 0.438 489 G N 1.048 110.072 108.800 0.374 0.000 2.543 489 G HA2 0.333 4.293 3.960 0.001 0.000 0.290 489 G HA3 0.333 4.293 3.960 0.001 0.000 0.290 489 G C 0.959 175.956 174.900 0.162 0.000 1.310 489 G CA -0.527 44.758 45.100 0.307 0.000 1.025 489 G HN 0.726 nan 8.290 nan 0.000 0.502 490 K N -0.452 120.017 120.400 0.116 0.000 2.057 490 K HA -0.163 4.157 4.320 0.001 0.000 0.207 490 K C 2.162 178.799 176.600 0.061 0.000 1.049 490 K CA 2.162 58.490 56.287 0.069 0.000 0.931 490 K CB -0.361 32.166 32.500 0.045 0.000 0.714 490 K HN 0.640 nan 8.250 nan 0.000 0.440 491 D N -1.403 119.040 120.400 0.070 0.000 2.220 491 D HA -0.181 4.459 4.640 0.001 0.000 0.198 491 D C 1.315 177.651 176.300 0.061 0.000 1.001 491 D CA 1.528 55.566 54.000 0.063 0.000 0.875 491 D CB -0.325 40.529 40.800 0.089 0.000 0.921 491 D HN 0.495 nan 8.370 nan 0.000 0.454 492 G N -0.679 108.166 108.800 0.074 0.000 2.195 492 G HA2 -0.268 3.692 3.960 0.001 0.000 0.224 492 G HA3 -0.268 3.692 3.960 0.001 0.000 0.224 492 G C 0.140 175.080 174.900 0.067 0.000 0.990 492 G CA 0.112 45.247 45.100 0.058 0.000 0.639 492 G HN 0.475 nan 8.290 nan 0.000 0.514 493 K N 0.513 120.974 120.400 0.102 0.000 2.123 493 K HA 0.582 4.902 4.320 0.001 0.000 0.248 493 K C 0.001 176.699 176.600 0.163 0.000 0.969 493 K CA -0.930 55.424 56.287 0.111 0.000 0.882 493 K CB 0.985 33.562 32.500 0.128 0.000 1.080 493 K HN -0.093 nan 8.250 nan 0.000 0.441 494 K N 2.084 122.553 120.400 0.116 0.000 2.218 494 K HA 0.292 4.612 4.320 0.001 0.000 0.276 494 K C -0.266 176.531 176.600 0.329 0.000 1.022 494 K CA -0.090 56.284 56.287 0.146 0.000 0.946 494 K CB 0.268 32.731 32.500 -0.061 0.000 1.000 494 K HN 0.515 nan 8.250 nan 0.000 0.468 495 F N -1.189 118.868 119.950 0.178 0.000 2.643 495 F HA 0.627 5.154 4.527 0.000 0.000 0.314 495 F C -0.619 175.262 175.800 0.134 0.000 1.096 495 F CA -1.217 56.848 58.000 0.109 0.000 0.953 495 F CB 1.587 40.358 39.000 -0.380 0.000 1.345 495 F HN 0.201 nan 8.300 nan 0.000 0.468 496 K N 1.780 122.194 120.400 0.023 0.000 2.318 496 K HA 0.556 4.876 4.320 0.001 0.000 0.249 496 K C -1.535 175.066 176.600 0.003 0.000 0.942 496 K CA -1.005 55.071 56.287 -0.352 0.000 0.808 496 K CB 1.791 33.861 32.500 -0.716 0.000 1.189 496 K HN 0.650 nan 8.250 nan 0.000 0.428 497 L N 3.619 124.863 121.223 0.034 0.000 2.410 497 L HA 0.076 4.416 4.340 0.001 0.000 0.273 497 L C 0.804 177.812 176.870 0.229 0.000 1.144 497 L CA 0.492 55.470 54.840 0.231 0.000 0.863 497 L CB 0.391 42.666 42.059 0.360 0.000 1.140 497 L HN 0.649 nan 8.230 nan 0.000 0.463 498 E N 3.689 123.982 120.200 0.155 0.000 2.392 498 E HA 0.300 4.650 4.350 0.001 0.000 0.259 498 E C -0.684 175.849 176.600 -0.113 0.000 1.108 498 E CA -0.584 55.844 56.400 0.046 0.000 0.916 498 E CB 1.245 30.955 29.700 0.017 0.000 0.989 498 E HN 0.604 nan 8.360 nan 0.000 0.432 499 A N 4.468 127.098 122.820 -0.317 0.000 2.425 499 A HA 0.320 4.640 4.320 0.001 0.000 0.249 499 A C -2.046 175.123 177.584 -0.692 0.000 1.084 499 A CA -1.178 50.303 52.037 -0.927 0.000 0.781 499 A CB -0.121 18.475 19.000 -0.674 0.000 1.019 499 A HN 0.577 nan 8.150 nan 0.000 0.490 500 P HA 0.229 nan 4.420 nan 0.000 0.271 500 P C -1.023 176.104 177.300 -0.290 0.000 1.216 500 P CA 0.182 63.019 63.100 -0.438 0.000 0.776 500 P CB 1.019 32.472 31.700 -0.412 0.000 0.881 501 D N 0.976 121.264 120.400 -0.187 0.000 2.671 501 D HA 0.700 5.340 4.640 0.001 0.000 0.232 501 D C -1.518 174.725 176.300 -0.095 0.000 1.114 501 D CA -0.575 53.349 54.000 -0.127 0.000 0.858 501 D CB 1.827 42.572 40.800 -0.092 0.000 1.544 501 D HN 0.512 nan 8.370 nan 0.000 0.471 502 A N 2.120 124.902 122.820 -0.064 0.000 2.569 502 A HA 0.406 4.727 4.320 0.001 0.000 0.292 502 A C -1.710 175.890 177.584 0.026 0.000 1.032 502 A CA -0.917 51.102 52.037 -0.030 0.000 0.669 502 A CB 0.909 19.840 19.000 -0.115 0.000 1.290 502 A HN 0.489 nan 8.150 nan 0.000 0.422 503 D N 1.412 121.877 120.400 0.108 0.000 2.345 503 D HA 0.230 4.870 4.640 0.001 0.000 0.247 503 D C 1.283 177.692 176.300 0.182 0.000 1.108 503 D CA 0.381 54.465 54.000 0.140 0.000 0.894 503 D CB 1.140 42.052 40.800 0.187 0.000 1.203 503 D HN 0.734 nan 8.370 nan 0.000 0.430 504 E N 1.247 121.514 120.200 0.111 0.000 2.338 504 E HA -0.029 4.321 4.350 0.001 0.000 0.197 504 E C 0.226 176.927 176.600 0.169 0.000 1.007 504 E CA 0.671 57.145 56.400 0.124 0.000 0.849 504 E CB 0.269 30.003 29.700 0.057 0.000 0.774 504 E HN 0.335 nan 8.360 nan 0.000 0.506 505 L N 0.072 121.313 121.223 0.030 0.000 2.671 505 L HA 0.384 4.725 4.340 0.001 0.000 0.259 505 L C -2.660 173.787 176.870 -0.706 0.000 1.021 505 L CA -2.857 51.776 54.840 -0.345 0.000 0.871 505 L CB 2.603 44.535 42.059 -0.211 0.000 1.472 505 L HN -0.172 nan 8.230 nan 0.000 0.410 506 P HA 0.110 nan 4.420 nan 0.000 0.268 506 P C -0.101 176.929 177.300 -0.450 0.000 1.205 506 P CA -0.102 62.419 63.100 -0.966 0.000 0.771 506 P CB 1.115 32.139 31.700 -1.126 0.000 0.858 507 R N 2.116 122.481 120.500 -0.224 0.000 2.081 507 R HA -0.067 4.274 4.340 0.001 0.000 0.235 507 R C 1.316 177.529 176.300 -0.144 0.000 1.131 507 R CA 1.621 57.642 56.100 -0.132 0.000 0.960 507 R CB -0.387 29.876 30.300 -0.061 0.000 0.856 507 R HN 0.662 nan 8.270 nan 0.000 0.436 508 A N 0.565 123.289 122.820 -0.160 0.000 2.275 508 A HA 0.211 4.531 4.320 0.001 0.000 0.282 508 A C -0.231 177.237 177.584 -0.194 0.000 1.275 508 A CA -0.490 51.464 52.037 -0.138 0.000 0.842 508 A CB 0.193 19.131 19.000 -0.104 0.000 1.280 508 A HN 0.091 nan 8.150 nan 0.000 0.508 509 E N -1.065 119.056 120.200 -0.131 0.000 2.351 509 E HA 0.410 4.760 4.350 0.001 0.000 0.255 509 E C -1.098 175.441 176.600 -0.101 0.000 1.188 509 E CA -0.368 55.962 56.400 -0.115 0.000 0.940 509 E CB 0.136 29.814 29.700 -0.037 0.000 1.094 509 E HN 0.366 nan 8.360 nan 0.000 0.474 510 F N 1.191 121.083 119.950 -0.096 0.000 2.429 510 F HA 0.045 4.573 4.527 0.001 0.000 0.348 510 F C 1.070 176.849 175.800 -0.035 0.000 1.109 510 F CA -0.004 57.949 58.000 -0.079 0.000 1.232 510 F CB 0.582 39.533 39.000 -0.083 0.000 1.157 510 F HN 0.081 nan 8.300 nan 0.000 0.564 511 D N 5.817 126.351 120.400 0.224 0.000 2.295 511 D HA 0.151 4.792 4.640 0.001 0.000 0.248 511 D C -1.768 174.611 176.300 0.131 0.000 1.154 511 D CA -2.043 52.035 54.000 0.131 0.000 0.857 511 D CB 1.646 42.504 40.800 0.097 0.000 1.117 511 D HN 0.206 nan 8.370 nan 0.000 0.468 512 P HA 0.103 nan 4.420 nan 0.000 0.245 512 P C 0.876 178.218 177.300 0.070 0.000 1.206 512 P CA 0.442 63.583 63.100 0.068 0.000 0.781 512 P CB 0.408 32.146 31.700 0.064 0.000 0.994 513 G N 1.190 110.031 108.800 0.068 0.000 2.547 513 G HA2 -0.236 3.725 3.960 0.001 0.000 0.271 513 G HA3 -0.236 3.725 3.960 0.001 0.000 0.271 513 G C -0.561 174.374 174.900 0.059 0.000 1.209 513 G CA 0.452 45.589 45.100 0.061 0.000 0.959 513 G HN 0.624 nan 8.290 nan 0.000 0.563 514 Q N 1.015 120.851 119.800 0.060 0.000 2.215 514 Q HA 0.556 4.896 4.340 0.001 0.000 0.256 514 Q C -0.082 175.962 176.000 0.073 0.000 0.972 514 Q CA -0.211 55.626 55.803 0.056 0.000 0.889 514 Q CB 1.020 29.783 28.738 0.042 0.000 1.281 514 Q HN 0.831 nan 8.270 nan 0.000 0.456 515 D N 0.942 121.376 120.400 0.058 0.000 2.389 515 D HA -0.031 4.610 4.640 0.001 0.000 0.263 515 D C -0.060 176.267 176.300 0.045 0.000 1.255 515 D CA 0.302 54.336 54.000 0.055 0.000 0.914 515 D CB 0.706 41.527 40.800 0.035 0.000 1.116 515 D HN 0.799 nan 8.370 nan 0.000 0.502 516 T N -0.236 114.355 114.554 0.060 0.000 2.959 516 T HA 0.019 4.370 4.350 0.001 0.000 0.254 516 T C 0.523 175.178 174.700 -0.076 0.000 1.003 516 T CA -0.412 61.722 62.100 0.056 0.000 0.950 516 T CB -0.392 68.587 68.868 0.185 0.000 1.090 516 T HN 0.375 nan 8.240 nan 0.000 0.503 517 Y N 2.676 122.690 120.300 -0.476 0.000 2.304 517 Y HA 0.519 5.070 4.550 0.001 0.000 0.327 517 Y C 0.139 175.790 175.900 -0.414 0.000 1.209 517 Y CA -0.897 56.682 58.100 -0.867 0.000 1.299 517 Y CB 0.842 38.467 38.460 -1.392 0.000 1.249 517 Y HN 0.172 nan 8.280 nan 0.000 0.519 518 Q N 5.371 124.494 119.800 -1.129 0.000 2.290 518 Q HA 0.197 4.537 4.340 0.001 0.000 0.269 518 Q C -1.530 173.885 176.000 -0.975 0.000 1.016 518 Q CA -0.679 54.701 55.803 -0.704 0.000 0.754 518 Q CB 0.740 29.297 28.738 -0.302 0.000 1.247 518 Q HN 0.855 nan 8.270 nan 0.000 0.451 519 H N 4.413 123.085 119.070 -0.664 0.000 2.629 519 H HA 0.295 4.851 4.556 0.001 0.000 0.357 519 H C -2.058 173.147 175.328 -0.205 0.000 1.121 519 H CA -1.442 54.404 56.048 -0.338 0.000 1.406 519 H CB 1.258 31.045 29.762 0.042 0.000 1.456 519 H HN 0.530 nan 8.280 nan 0.000 0.579 520 P HA 0.048 nan 4.420 nan 0.000 0.267 520 P C -2.687 174.535 177.300 -0.129 0.000 1.205 520 P CA -1.229 61.711 63.100 -0.267 0.000 0.765 520 P CB 0.013 31.553 31.700 -0.267 0.000 0.828 521 P HA 0.069 nan 4.420 nan 0.000 0.266 521 P C -0.031 177.240 177.300 -0.048 0.000 1.215 521 P CA 0.194 63.266 63.100 -0.046 0.000 0.763 521 P CB 0.496 32.156 31.700 -0.067 0.000 0.806 522 K N 3.561 123.952 120.400 -0.016 0.000 3.135 522 K HA 0.173 4.493 4.320 0.001 0.000 0.210 522 K C -0.177 176.406 176.600 -0.029 0.000 1.176 522 K CA -0.034 56.235 56.287 -0.029 0.000 1.064 522 K CB 0.561 33.053 32.500 -0.014 0.000 1.009 522 K HN 0.567 nan 8.250 nan 0.000 0.472 523 D N -2.498 117.881 120.400 -0.035 0.000 2.750 523 D HA 0.062 4.703 4.640 0.001 0.000 0.142 523 D C 1.213 177.485 176.300 -0.046 0.000 1.370 523 D CA -0.416 53.564 54.000 -0.034 0.000 1.563 523 D CB -0.128 40.657 40.800 -0.025 0.000 1.697 523 D HN -0.177 nan 8.370 nan 0.000 0.188 524 S N 0.191 115.860 115.700 -0.051 0.000 2.548 524 S HA -0.251 4.220 4.470 0.001 0.000 0.252 524 S C 1.114 175.665 174.600 -0.082 0.000 1.076 524 S CA 2.511 60.673 58.200 -0.063 0.000 1.395 524 S CB -0.982 62.177 63.200 -0.068 0.000 1.230 524 S HN 0.501 nan 8.310 nan 0.000 0.418 525 S N -0.288 115.347 115.700 -0.107 0.000 3.017 525 S HA -0.200 4.270 4.470 0.001 0.000 0.283 525 S C 0.822 175.333 174.600 -0.148 0.000 1.304 525 S CA 0.775 58.889 58.200 -0.143 0.000 1.224 525 S CB -1.731 61.389 63.200 -0.133 0.000 1.480 525 S HN 0.930 nan 8.310 nan 0.000 0.698 526 G N 0.240 108.974 108.800 -0.110 0.000 3.474 526 G HA2 0.414 4.374 3.960 0.001 0.000 0.269 526 G HA3 0.414 4.374 3.960 0.001 0.000 0.269 526 G C 0.042 174.887 174.900 -0.093 0.000 1.339 526 G CA -0.295 44.749 45.100 -0.094 0.000 1.258 526 G HN 0.419 nan 8.290 nan 0.000 0.560 527 Q N 0.155 119.883 119.800 -0.120 0.000 2.312 527 Q HA 0.527 4.867 4.340 0.001 0.000 0.236 527 Q C 0.468 176.406 176.000 -0.104 0.000 0.965 527 Q CA 0.154 55.890 55.803 -0.112 0.000 0.894 527 Q CB 1.166 29.820 28.738 -0.140 0.000 1.225 527 Q HN 0.311 nan 8.270 nan 0.000 0.478 528 R N 0.030 120.488 120.500 -0.070 0.000 2.668 528 R HA 0.628 4.969 4.340 0.001 0.000 0.279 528 R C -1.051 175.231 176.300 -0.031 0.000 0.976 528 R CA -0.817 55.257 56.100 -0.044 0.000 0.978 528 R CB 1.347 31.633 30.300 -0.022 0.000 1.133 528 R HN 0.307 nan 8.270 nan 0.000 0.484 529 V N 1.611 121.530 119.914 0.009 0.000 2.370 529 V HA 0.160 4.281 4.120 0.001 0.000 0.283 529 V C -0.476 175.680 176.094 0.103 0.000 1.023 529 V CA -0.674 61.655 62.300 0.049 0.000 0.857 529 V CB 1.436 33.314 31.823 0.091 0.000 0.985 529 V HN 0.670 nan 8.190 nan 0.000 0.443 530 D N 3.566 124.031 120.400 0.108 0.000 2.193 530 D HA 0.535 5.176 4.640 0.001 0.000 0.244 530 D C -0.852 175.535 176.300 0.145 0.000 1.064 530 D CA -0.090 53.970 54.000 0.101 0.000 0.845 530 D CB 1.833 42.671 40.800 0.063 0.000 1.148 530 D HN 0.301 nan 8.370 nan 0.000 0.464 531 V N 3.449 123.425 119.914 0.103 0.000 2.349 531 V HA 0.253 4.373 4.120 0.001 0.000 0.284 531 V C 0.244 176.357 176.094 0.032 0.000 1.014 531 V CA -0.956 61.379 62.300 0.059 0.000 0.826 531 V CB 1.240 33.081 31.823 0.030 0.000 1.009 531 V HN 0.672 nan 8.190 nan 0.000 0.431 532 S N 6.487 122.205 115.700 0.030 0.000 2.563 532 S HA 0.113 4.583 4.470 0.001 0.000 0.294 532 S C -1.221 173.393 174.600 0.023 0.000 1.279 532 S CA -0.437 57.779 58.200 0.028 0.000 1.069 532 S CB 0.879 64.097 63.200 0.031 0.000 0.828 532 S HN 0.633 nan 8.310 nan 0.000 0.497 533 P HA 0.067 nan 4.420 nan 0.000 0.237 533 P C 0.688 178.007 177.300 0.033 0.000 1.178 533 P CA 0.631 63.742 63.100 0.018 0.000 0.766 533 P CB 0.072 31.780 31.700 0.014 0.000 0.876 534 T N -5.894 108.684 114.554 0.041 0.000 3.252 534 T HA 0.235 4.585 4.350 0.001 0.000 0.286 534 T C 0.457 175.196 174.700 0.065 0.000 1.013 534 T CA -0.401 61.730 62.100 0.050 0.000 0.914 534 T CB -0.596 68.293 68.868 0.034 0.000 1.131 534 T HN -0.138 nan 8.240 nan 0.000 0.529 535 S N 1.007 116.756 115.700 0.082 0.000 2.564 535 S HA 0.224 4.695 4.470 0.001 0.000 0.278 535 S C 0.992 175.688 174.600 0.160 0.000 1.333 535 S CA -0.445 57.812 58.200 0.096 0.000 1.048 535 S CB 0.804 64.050 63.200 0.077 0.000 0.900 535 S HN 0.345 nan 8.310 nan 0.000 0.505 536 Q N 2.908 122.773 119.800 0.110 0.000 2.319 536 Q HA 0.235 4.575 4.340 0.001 0.000 0.209 536 Q C 1.362 177.468 176.000 0.175 0.000 0.884 536 Q CA 0.442 56.275 55.803 0.050 0.000 0.938 536 Q CB 0.258 29.026 28.738 0.050 0.000 1.098 536 Q HN 0.688 nan 8.270 nan 0.000 0.517 537 R N -0.877 119.748 120.500 0.208 0.000 2.279 537 R HA 0.325 4.665 4.340 0.001 0.000 0.195 537 R C 0.241 176.643 176.300 0.169 0.000 0.905 537 R CA 0.247 56.465 56.100 0.197 0.000 1.044 537 R CB 0.967 31.297 30.300 0.050 0.000 1.056 537 R HN 0.005 nan 8.270 nan 0.000 0.535 538 L N 0.717 122.008 121.223 0.112 0.000 2.401 538 L HA 0.456 4.796 4.340 0.001 0.000 0.266 538 L C -0.920 175.880 176.870 -0.118 0.000 0.991 538 L CA -0.760 54.027 54.840 -0.088 0.000 0.818 538 L CB 2.353 44.254 42.059 -0.263 0.000 1.321 538 L HN -0.064 nan 8.230 nan 0.000 0.413 539 Q N 2.682 122.322 119.800 -0.267 0.000 2.327 539 Q HA 0.477 4.817 4.340 0.001 0.000 0.265 539 Q C -1.889 173.966 176.000 -0.241 0.000 0.993 539 Q CA -0.648 54.959 55.803 -0.328 0.000 0.885 539 Q CB 2.279 30.578 28.738 -0.732 0.000 1.379 539 Q HN 0.577 nan 8.270 nan 0.000 0.408 540 L N 3.452 124.578 121.223 -0.161 0.000 2.452 540 L HA 0.359 4.700 4.340 0.001 0.000 0.267 540 L C -0.058 176.726 176.870 -0.144 0.000 1.188 540 L CA -0.423 54.346 54.840 -0.118 0.000 0.821 540 L CB 0.356 42.375 42.059 -0.067 0.000 1.102 540 L HN 0.559 nan 8.230 nan 0.000 0.470 541 L N 1.529 122.667 121.223 -0.143 0.000 2.357 541 L HA 0.414 4.754 4.340 0.001 0.000 0.273 541 L C 0.042 176.806 176.870 -0.177 0.000 1.080 541 L CA -0.281 54.448 54.840 -0.185 0.000 0.803 541 L CB 1.382 43.309 42.059 -0.221 0.000 1.174 541 L HN 0.597 nan 8.230 nan 0.000 0.443 542 E N 3.296 123.373 120.200 -0.205 0.000 2.195 542 E HA 0.434 4.784 4.350 0.001 0.000 0.271 542 E C -2.370 174.049 176.600 -0.302 0.000 0.923 542 E CA -1.956 54.338 56.400 -0.176 0.000 0.790 542 E CB 1.672 31.311 29.700 -0.102 0.000 1.155 542 E HN 0.319 nan 8.360 nan 0.000 0.402 543 P HA 0.049 nan 4.420 nan 0.000 0.269 543 P C -0.785 176.375 177.300 -0.233 0.000 1.215 543 P CA 0.077 63.011 63.100 -0.277 0.000 0.780 543 P CB 0.323 31.945 31.700 -0.129 0.000 0.898 544 F N 0.454 120.398 119.950 -0.010 0.000 2.375 544 F HA 0.121 4.649 4.527 0.001 0.000 0.313 544 F C 1.487 177.279 175.800 -0.014 0.000 1.176 544 F CA -0.496 57.501 58.000 -0.005 0.000 1.142 544 F CB -0.154 38.843 39.000 -0.005 0.000 1.275 544 F HN 0.318 nan 8.300 nan 0.000 0.544 545 D N 1.119 121.647 120.400 0.213 0.000 2.400 545 D HA 0.011 4.651 4.640 0.001 0.000 0.238 545 D C -0.289 176.049 176.300 0.064 0.000 1.157 545 D CA -0.172 53.884 54.000 0.094 0.000 0.889 545 D CB 0.615 41.453 40.800 0.062 0.000 1.199 545 D HN 0.187 nan 8.370 nan 0.000 0.436 546 K N 0.399 120.818 120.400 0.031 0.000 2.138 546 K HA 0.102 4.422 4.320 0.001 0.000 0.251 546 K C 0.021 176.636 176.600 0.025 0.000 1.015 546 K CA -0.676 55.624 56.287 0.021 0.000 0.917 546 K CB 0.601 33.111 32.500 0.016 0.000 1.021 546 K HN 0.596 nan 8.250 nan 0.000 0.485 547 W N 3.190 124.349 121.300 -0.236 0.000 2.190 547 W HA -0.010 4.650 4.660 0.001 0.000 0.330 547 W C 0.512 176.950 176.519 -0.136 0.000 1.299 547 W CA -0.202 56.980 57.345 -0.270 0.000 1.215 547 W CB 0.352 29.528 29.460 -0.473 0.000 1.147 547 W HN 0.710 nan 8.180 nan 0.000 0.563 548 D N 2.183 122.340 120.400 -0.406 0.000 2.312 548 D HA 0.060 4.700 4.640 0.001 0.000 0.211 548 D C 1.664 177.487 176.300 -0.796 0.000 0.964 548 D CA 1.115 54.830 54.000 -0.475 0.000 0.877 548 D CB -0.361 40.263 40.800 -0.294 0.000 0.924 548 D HN 0.792 nan 8.370 nan 0.000 0.515 549 G N -0.745 106.995 108.800 -1.767 0.000 2.179 549 G HA2 -0.238 3.722 3.960 0.001 0.000 0.220 549 G HA3 -0.238 3.722 3.960 0.001 0.000 0.220 549 G C 0.031 174.260 174.900 -1.117 0.000 0.990 549 G CA 0.083 44.109 45.100 -1.790 0.000 0.646 549 G HN 0.509 nan 8.290 nan 0.000 0.517 550 K N 0.412 120.379 120.400 -0.722 0.000 2.444 550 K HA 0.636 4.957 4.320 0.001 0.000 0.252 550 K C -0.564 176.139 176.600 0.172 0.000 0.993 550 K CA -1.029 55.172 56.287 -0.143 0.000 0.847 550 K CB 1.356 33.778 32.500 -0.130 0.000 1.340 550 K HN 0.011 nan 8.250 nan 0.000 0.446 551 D N 0.521 121.002 120.400 0.135 0.000 2.393 551 D HA 0.104 4.744 4.640 0.001 0.000 0.246 551 D C -0.039 176.313 176.300 0.087 0.000 1.275 551 D CA 0.064 54.142 54.000 0.130 0.000 0.979 551 D CB 0.504 41.337 40.800 0.054 0.000 1.101 551 D HN 0.278 nan 8.370 nan 0.000 0.505 552 L N 1.601 122.848 121.223 0.041 0.000 2.589 552 L HA 0.129 4.469 4.340 0.001 0.000 0.244 552 L C 0.400 177.265 176.870 -0.007 0.000 1.159 552 L CA -0.633 54.218 54.840 0.018 0.000 1.074 552 L CB -0.109 41.947 42.059 -0.005 0.000 1.391 552 L HN 0.175 nan 8.230 nan 0.000 0.423 553 E N 0.978 121.175 120.200 -0.005 0.000 2.360 553 E HA 0.008 4.358 4.350 0.001 0.000 0.269 553 E C -0.323 176.266 176.600 -0.017 0.000 1.022 553 E CA -0.318 56.073 56.400 -0.014 0.000 0.887 553 E CB 0.792 30.485 29.700 -0.013 0.000 0.990 553 E HN 0.312 nan 8.360 nan 0.000 0.426 554 D N 1.445 121.831 120.400 -0.022 0.000 2.718 554 D HA -0.167 4.473 4.640 0.001 0.000 0.242 554 D C -0.428 175.857 176.300 -0.026 0.000 1.123 554 D CA 0.511 54.496 54.000 -0.025 0.000 0.690 554 D CB -0.998 39.788 40.800 -0.023 0.000 1.059 554 D HN 0.455 nan 8.370 nan 0.000 0.429 555 L N 0.447 121.657 121.223 -0.022 0.000 2.380 555 L HA 0.132 4.472 4.340 0.001 0.000 0.273 555 L C 1.087 177.953 176.870 -0.006 0.000 1.138 555 L CA 0.003 54.838 54.840 -0.008 0.000 0.832 555 L CB 0.759 42.816 42.059 -0.004 0.000 1.124 555 L HN 0.024 nan 8.230 nan 0.000 0.454 556 Q N 3.046 122.844 119.800 -0.002 0.000 2.261 556 Q HA 0.365 4.705 4.340 0.001 0.000 0.252 556 Q C -0.706 175.335 176.000 0.067 0.000 0.915 556 Q CA 0.030 55.809 55.803 -0.040 0.000 0.915 556 Q CB 1.128 29.731 28.738 -0.224 0.000 1.204 556 Q HN 0.449 nan 8.270 nan 0.000 0.421 557 I N 5.819 126.423 120.570 0.057 0.000 2.322 557 I HA 0.005 4.175 4.170 0.001 0.000 0.292 557 I C 0.854 177.050 176.117 0.132 0.000 1.060 557 I CA -0.291 61.072 61.300 0.105 0.000 1.309 557 I CB 0.802 38.834 38.000 0.053 0.000 1.415 557 I HN 0.761 nan 8.210 nan 0.000 0.492 558 L N 8.693 130.023 121.223 0.178 0.000 2.017 558 L HA 0.150 4.491 4.340 0.001 0.000 0.208 558 L C 0.439 177.307 176.870 -0.003 0.000 1.073 558 L CA 1.987 56.835 54.840 0.014 0.000 0.745 558 L CB 0.139 41.966 42.059 -0.386 0.000 0.894 558 L HN 0.583 nan 8.230 nan 0.000 0.432 559 I N -1.120 119.474 120.570 0.041 0.000 2.785 559 I HA 0.220 4.390 4.170 0.001 0.000 0.293 559 I C -1.284 174.874 176.117 0.069 0.000 1.446 559 I CA -0.889 60.438 61.300 0.046 0.000 1.028 559 I CB 1.466 39.487 38.000 0.036 0.000 1.349 559 I HN -0.018 nan 8.210 nan 0.000 0.438 560 K N 6.910 127.343 120.400 0.056 0.000 2.281 560 K HA 0.565 4.885 4.320 0.001 0.000 0.272 560 K C -1.609 175.048 176.600 0.096 0.000 1.048 560 K CA -0.477 55.838 56.287 0.046 0.000 0.898 560 K CB 1.318 33.793 32.500 -0.043 0.000 1.128 560 K HN 0.457 nan 8.250 nan 0.000 0.460 561 V N 5.141 125.145 119.914 0.149 0.000 2.530 561 V HA 0.162 4.283 4.120 0.001 0.000 0.282 561 V C 0.119 176.341 176.094 0.213 0.000 1.048 561 V CA -0.350 62.052 62.300 0.170 0.000 0.997 561 V CB 1.078 33.022 31.823 0.201 0.000 0.987 561 V HN 0.723 nan 8.190 nan 0.000 0.477 562 K N 4.261 124.756 120.400 0.159 0.000 2.244 562 K HA 0.681 5.001 4.320 0.001 0.000 0.260 562 K C 0.163 176.807 176.600 0.074 0.000 0.951 562 K CA 0.620 57.002 56.287 0.159 0.000 0.826 562 K CB 1.464 34.050 32.500 0.144 0.000 1.108 562 K HN 1.074 nan 8.250 nan 0.000 0.433 563 G N 2.973 111.790 108.800 0.030 0.000 2.545 563 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 563 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 563 G C -1.114 173.743 174.900 -0.072 0.000 1.314 563 G CA -0.315 44.771 45.100 -0.024 0.000 0.906 563 G HN 0.771 nan 8.290 nan 0.000 0.563 564 K N -0.630 119.695 120.400 -0.124 0.000 2.436 564 K HA 0.402 4.722 4.320 0.001 0.000 0.282 564 K C -0.480 175.846 176.600 -0.456 0.000 1.044 564 K CA 0.369 56.510 56.287 -0.244 0.000 1.028 564 K CB -0.007 32.352 32.500 -0.235 0.000 0.919 564 K HN 0.949 nan 8.250 nan 0.000 0.474 565 C N 5.303 124.319 119.300 -0.474 0.000 3.123 565 C HA 0.258 4.718 4.460 0.001 0.000 0.284 565 C C -0.136 174.492 174.990 -0.603 0.000 1.076 565 C CA -0.471 58.191 59.018 -0.594 0.000 1.416 565 C CB -0.229 27.357 27.740 -0.258 0.000 1.841 565 C HN 0.947 nan 8.230 nan 0.000 0.501 566 T N 2.643 116.799 114.554 -0.663 0.000 2.855 566 T HA 0.087 4.438 4.350 0.001 0.000 0.314 566 T C 1.671 176.226 174.700 -0.242 0.000 1.077 566 T CA 0.876 62.728 62.100 -0.414 0.000 1.095 566 T CB 0.972 69.560 68.868 -0.466 0.000 0.987 566 T HN 0.806 nan 8.240 nan 0.000 0.546 567 T N -1.086 113.375 114.554 -0.154 0.000 3.072 567 T HA -0.047 4.303 4.350 0.001 0.000 0.266 567 T C 1.206 175.914 174.700 0.013 0.000 1.127 567 T CA 0.546 62.574 62.100 -0.121 0.000 1.107 567 T CB -0.020 68.799 68.868 -0.083 0.000 0.910 567 T HN 0.489 nan 8.240 nan 0.000 0.513 568 D N 0.957 121.422 120.400 0.108 0.000 2.312 568 D HA -0.042 4.598 4.640 0.001 0.000 0.211 568 D C 1.422 177.783 176.300 0.102 0.000 0.964 568 D CA 0.901 54.989 54.000 0.146 0.000 0.877 568 D CB 0.017 40.976 40.800 0.264 0.000 0.924 568 D HN 0.571 nan 8.370 nan 0.000 0.515 569 H N -0.340 118.686 119.070 -0.073 0.000 2.486 569 H HA 0.204 4.760 4.556 0.001 0.000 0.287 569 H C 2.140 177.420 175.328 -0.081 0.000 1.010 569 H CA 0.285 56.288 56.048 -0.074 0.000 1.324 569 H CB 0.165 29.865 29.762 -0.103 0.000 1.446 569 H HN 0.090 nan 8.280 nan 0.000 0.537 570 I N -0.923 119.656 120.570 0.014 0.000 2.353 570 I HA -0.077 4.094 4.170 0.001 0.000 0.248 570 I C 0.523 176.627 176.117 -0.021 0.000 1.119 570 I CA 0.875 62.167 61.300 -0.013 0.000 1.417 570 I CB 0.270 38.221 38.000 -0.082 0.000 1.078 570 I HN 0.039 nan 8.210 nan 0.000 0.421 571 S N 0.849 116.528 115.700 -0.035 0.000 2.620 571 S HA 0.652 5.122 4.470 0.001 0.000 0.244 571 S C -0.241 174.309 174.600 -0.084 0.000 1.192 571 S CA -0.794 57.362 58.200 -0.073 0.000 1.148 571 S CB 0.351 63.560 63.200 0.015 0.000 1.106 571 S HN 0.221 nan 8.310 nan 0.000 0.474 572 A N 3.462 126.171 122.820 -0.185 0.000 2.448 572 A HA 0.744 5.064 4.320 0.001 0.000 0.239 572 A C 1.039 178.673 177.584 0.084 0.000 1.080 572 A CA 0.425 52.426 52.037 -0.060 0.000 0.779 572 A CB -0.034 18.917 19.000 -0.082 0.000 1.026 572 A HN 1.271 nan 8.150 nan 0.000 0.499 573 A N 0.801 123.725 122.820 0.174 0.000 3.658 573 A HA 0.783 5.104 4.320 0.001 0.000 0.188 573 A C 1.727 179.464 177.584 0.254 0.000 1.601 573 A CA 0.763 52.921 52.037 0.203 0.000 1.765 573 A CB -1.026 18.066 19.000 0.153 0.000 1.546 573 A HN 2.729 nan 8.150 nan 0.000 0.555 574 G N -0.162 108.746 108.800 0.180 0.000 2.665 574 G HA2 -0.307 3.653 3.960 0.001 0.000 0.326 574 G HA3 -0.307 3.653 3.960 0.001 0.000 0.326 574 G C -0.726 174.232 174.900 0.097 0.000 1.231 574 G CA 1.007 46.193 45.100 0.143 0.000 0.992 574 G HN 0.724 nan 8.290 nan 0.000 0.549 575 P HA -0.052 nan 4.420 nan 0.000 0.222 575 P C 1.182 178.343 177.300 -0.232 0.000 1.147 575 P CA 2.023 65.031 63.100 -0.153 0.000 0.790 575 P CB -0.201 31.344 31.700 -0.258 0.000 0.780 576 W N -0.242 121.063 121.300 0.009 0.000 2.937 576 W HA 0.161 4.821 4.660 0.001 0.000 0.245 576 W C 2.218 178.728 176.519 -0.015 0.000 1.306 576 W CA -0.092 57.287 57.345 0.057 0.000 1.470 576 W CB -0.842 28.692 29.460 0.123 0.000 1.132 576 W HN -0.146 nan 8.180 nan 0.000 0.675 577 L N 0.692 121.975 121.223 0.101 0.000 2.131 577 L HA -0.221 4.119 4.340 0.001 0.000 0.210 577 L C 2.589 179.425 176.870 -0.056 0.000 1.092 577 L CA 1.197 56.060 54.840 0.039 0.000 0.759 577 L CB -0.758 41.329 42.059 0.047 0.000 0.903 577 L HN -0.028 nan 8.230 nan 0.000 0.435 578 K N 0.313 120.580 120.400 -0.221 0.000 2.304 578 K HA -0.219 4.101 4.320 0.001 0.000 0.204 578 K C 0.892 177.238 176.600 -0.424 0.000 1.044 578 K CA 1.589 57.607 56.287 -0.448 0.000 0.932 578 K CB 0.004 32.020 32.500 -0.807 0.000 0.735 578 K HN 0.217 nan 8.250 nan 0.000 0.468 579 F N -0.225 119.772 119.950 0.078 0.000 2.698 579 F HA 0.253 4.780 4.527 0.001 0.000 0.304 579 F C 0.993 176.873 175.800 0.134 0.000 1.108 579 F CA -0.507 57.564 58.000 0.120 0.000 1.263 579 F CB 0.495 39.605 39.000 0.184 0.000 1.013 579 F HN -0.204 nan 8.300 nan 0.000 0.532 580 R N 0.244 120.858 120.500 0.190 0.000 2.377 580 R HA 0.033 4.373 4.340 0.001 0.000 0.207 580 R C 1.779 178.216 176.300 0.229 0.000 1.075 580 R CA 0.797 56.963 56.100 0.109 0.000 1.035 580 R CB -0.898 29.381 30.300 -0.036 0.000 0.857 580 R HN 0.381 nan 8.270 nan 0.000 0.475 581 G N -1.227 107.676 108.800 0.171 0.000 3.192 581 G HA2 -0.056 3.904 3.960 0.001 0.000 0.239 581 G HA3 -0.056 3.904 3.960 0.001 0.000 0.239 581 G C -0.123 174.818 174.900 0.068 0.000 1.084 581 G CA -0.159 44.980 45.100 0.066 0.000 0.784 581 G HN 0.187 nan 8.290 nan 0.000 0.540 582 H N 1.190 120.321 119.070 0.102 0.000 2.786 582 H HA 0.277 4.834 4.556 0.001 0.000 0.284 582 H C 0.832 176.183 175.328 0.038 0.000 1.104 582 H CA -0.762 55.319 56.048 0.056 0.000 1.339 582 H CB 1.553 31.373 29.762 0.097 0.000 1.427 582 H HN 0.023 nan 8.280 nan 0.000 0.497 583 L N 4.008 125.222 121.223 -0.015 0.000 2.013 583 L HA -0.175 4.165 4.340 0.001 0.000 0.212 583 L C 1.774 178.591 176.870 -0.088 0.000 1.073 583 L CA 2.289 57.084 54.840 -0.075 0.000 0.753 583 L CB -0.451 41.442 42.059 -0.276 0.000 0.890 583 L HN 0.632 nan 8.230 nan 0.000 0.432 584 D N -1.195 119.179 120.400 -0.043 0.000 2.084 584 D HA -0.204 4.436 4.640 0.001 0.000 0.194 584 D C 1.940 178.319 176.300 0.132 0.000 0.990 584 D CA 1.803 55.892 54.000 0.149 0.000 0.826 584 D CB -0.068 40.883 40.800 0.252 0.000 0.971 584 D HN 0.505 nan 8.370 nan 0.000 0.453 585 N N -0.617 118.117 118.700 0.056 0.000 2.120 585 N HA -0.147 4.593 4.740 0.001 0.000 0.188 585 N C 1.735 177.142 175.510 -0.172 0.000 1.024 585 N CA 0.632 53.481 53.050 -0.335 0.000 0.852 585 N CB -0.004 37.928 38.487 -0.926 0.000 1.003 585 N HN 0.166 nan 8.380 nan 0.000 0.424 586 I N 0.646 121.272 120.570 0.093 0.000 2.439 586 I HA -0.144 4.027 4.170 0.001 0.000 0.251 586 I C 1.718 177.915 176.117 0.133 0.000 1.139 586 I CA 1.003 62.468 61.300 0.275 0.000 1.438 586 I CB -0.057 38.148 38.000 0.341 0.000 1.085 586 I HN -0.022 nan 8.210 nan 0.000 0.427 587 S N 1.129 116.911 115.700 0.136 0.000 2.462 587 S HA -0.166 4.305 4.470 0.001 0.000 0.243 587 S C 1.554 176.195 174.600 0.068 0.000 1.003 587 S CA 1.041 59.328 58.200 0.146 0.000 0.970 587 S CB -0.654 62.722 63.200 0.292 0.000 0.762 587 S HN 0.526 nan 8.310 nan 0.000 0.510 588 N N 2.383 121.118 118.700 0.059 0.000 2.521 588 N HA -0.011 4.729 4.740 0.001 0.000 0.188 588 N C 0.993 176.400 175.510 -0.172 0.000 1.146 588 N CA 0.395 53.479 53.050 0.056 0.000 0.893 588 N CB -0.374 38.248 38.487 0.225 0.000 0.975 588 N HN 0.800 nan 8.380 nan 0.000 0.451 589 N N -0.153 118.188 118.700 -0.598 0.000 2.236 589 N HA 0.002 4.742 4.740 0.001 0.000 0.196 589 N C 0.136 175.426 175.510 -0.367 0.000 1.114 589 N CA -0.414 52.122 53.050 -0.856 0.000 0.859 589 N CB 0.252 37.718 38.487 -1.703 0.000 0.982 589 N HN -0.059 nan 8.380 nan 0.000 0.493 590 L N 2.316 123.439 121.223 -0.167 0.000 2.615 590 L HA 0.007 4.348 4.340 0.001 0.000 0.271 590 L C 0.577 177.424 176.870 -0.037 0.000 1.183 590 L CA 0.652 55.466 54.840 -0.043 0.000 0.933 590 L CB -0.382 41.711 42.059 0.057 0.000 1.199 590 L HN 0.292 nan 8.230 nan 0.000 0.487 591 L N 4.656 125.873 121.223 -0.009 0.000 4.179 591 L HA -0.306 4.035 4.340 0.001 0.000 0.418 591 L C 1.451 178.320 176.870 -0.002 0.000 1.168 591 L CA 0.860 55.712 54.840 0.020 0.000 0.972 591 L CB -1.549 40.541 42.059 0.052 0.000 2.005 591 L HN 0.863 nan 8.230 nan 0.000 0.935 592 I N -3.883 116.660 120.570 -0.044 0.000 2.916 592 I HA 0.034 4.204 4.170 0.001 0.000 0.267 592 I C 1.835 177.953 176.117 0.002 0.000 1.263 592 I CA 1.550 62.837 61.300 -0.021 0.000 1.471 592 I CB -0.287 37.698 38.000 -0.025 0.000 1.089 592 I HN 0.231 nan 8.210 nan 0.000 0.468 593 G N 0.814 109.615 108.800 0.002 0.000 3.044 593 G HA2 0.501 4.461 3.960 0.001 0.000 0.223 593 G HA3 0.501 4.461 3.960 0.001 0.000 0.223 593 G C 0.765 175.731 174.900 0.109 0.000 1.123 593 G CA 0.315 45.412 45.100 -0.006 0.000 0.765 593 G HN 0.520 nan 8.290 nan 0.000 0.546 594 A N 1.040 123.943 122.820 0.139 0.000 2.498 594 A HA 0.480 4.800 4.320 0.001 0.000 0.239 594 A C 0.171 177.825 177.584 0.116 0.000 1.068 594 A CA -0.082 52.050 52.037 0.158 0.000 0.766 594 A CB 0.263 19.338 19.000 0.126 0.000 1.003 594 A HN 0.131 nan 8.150 nan 0.000 0.497 595 I N 2.935 123.569 120.570 0.107 0.000 2.379 595 I HA 0.051 4.221 4.170 0.001 0.000 0.290 595 I C 0.552 176.717 176.117 0.079 0.000 1.063 595 I CA -0.225 61.121 61.300 0.077 0.000 1.351 595 I CB 0.058 38.095 38.000 0.062 0.000 1.410 595 I HN 0.731 nan 8.210 nan 0.000 0.505 596 N N 5.657 124.401 118.700 0.074 0.000 2.513 596 N HA 0.042 4.783 4.740 0.001 0.000 0.268 596 N C 0.882 176.437 175.510 0.075 0.000 1.180 596 N CA 0.142 53.241 53.050 0.082 0.000 0.948 596 N CB 0.941 39.487 38.487 0.097 0.000 1.083 596 N HN 0.645 nan 8.380 nan 0.000 0.455 597 I N 2.592 123.208 120.570 0.077 0.000 2.315 597 I HA -0.168 4.002 4.170 0.001 0.000 0.248 597 I C 1.944 178.097 176.117 0.060 0.000 1.117 597 I CA 1.156 62.497 61.300 0.069 0.000 1.404 597 I CB -0.052 37.986 38.000 0.063 0.000 1.071 597 I HN 0.775 nan 8.210 nan 0.000 0.419 598 E N 1.309 121.555 120.200 0.077 0.000 2.097 598 E HA -0.302 4.049 4.350 0.001 0.000 0.196 598 E C 1.115 177.744 176.600 0.048 0.000 1.000 598 E CA 2.087 58.540 56.400 0.088 0.000 0.804 598 E CB -0.006 29.793 29.700 0.166 0.000 0.740 598 E HN 0.744 nan 8.360 nan 0.000 0.454 599 N N -1.401 117.315 118.700 0.028 0.000 2.143 599 N HA 0.099 4.839 4.740 0.001 0.000 0.222 599 N C -0.345 175.150 175.510 -0.025 0.000 1.264 599 N CA 0.138 53.163 53.050 -0.041 0.000 0.897 599 N CB 0.447 38.849 38.487 -0.140 0.000 1.092 599 N HN 0.027 nan 8.380 nan 0.000 0.516 600 R N -1.038 119.466 120.500 0.007 0.000 3.656 600 R HA -0.158 4.182 4.340 0.001 0.000 0.297 600 R C -1.061 175.242 176.300 0.005 0.000 1.166 600 R CA 0.832 56.938 56.100 0.010 0.000 0.799 600 R CB -1.851 28.449 30.300 -0.001 0.000 1.285 600 R HN 0.362 nan 8.270 nan 0.000 0.477 601 K N -0.483 119.924 120.400 0.012 0.000 2.375 601 K HA 0.742 5.063 4.320 0.001 0.000 0.249 601 K C -0.807 175.811 176.600 0.031 0.000 0.942 601 K CA -0.280 56.013 56.287 0.010 0.000 0.806 601 K CB 1.879 34.371 32.500 -0.013 0.000 1.227 601 K HN 0.155 nan 8.250 nan 0.000 0.430 602 A N 2.464 125.300 122.820 0.026 0.000 2.320 602 A HA 0.313 4.633 4.320 0.001 0.000 0.287 602 A C 0.058 177.662 177.584 0.033 0.000 1.181 602 A CA 0.044 52.100 52.037 0.033 0.000 0.831 602 A CB -0.018 18.996 19.000 0.023 0.000 1.102 602 A HN 0.891 nan 8.150 nan 0.000 0.513 603 N N 0.122 118.843 118.700 0.035 0.000 2.738 603 N HA -0.175 4.566 4.740 0.001 0.000 0.249 603 N C -0.542 174.995 175.510 0.044 0.000 1.047 603 N CA 1.407 54.475 53.050 0.030 0.000 0.707 603 N CB -1.126 37.379 38.487 0.030 0.000 0.937 603 N HN 0.728 nan 8.380 nan 0.000 0.545 604 S N -0.334 115.410 115.700 0.073 0.000 2.423 604 S HA 0.540 5.010 4.470 0.001 0.000 0.213 604 S C -0.875 173.895 174.600 0.284 0.000 1.131 604 S CA -0.050 58.237 58.200 0.146 0.000 1.155 604 S CB 0.166 63.423 63.200 0.094 0.000 1.202 604 S HN 0.643 nan 8.310 nan 0.000 0.441 605 V N 2.157 122.198 119.914 0.213 0.000 2.876 605 V HA 0.694 4.814 4.120 0.001 0.000 0.312 605 V C -0.098 175.840 176.094 -0.260 0.000 1.085 605 V CA -1.323 61.025 62.300 0.079 0.000 0.945 605 V CB 1.731 33.531 31.823 -0.039 0.000 1.017 605 V HN 0.751 nan 8.190 nan 0.000 0.428 606 R N 3.367 123.423 120.500 -0.740 0.000 2.370 606 R HA 0.173 4.514 4.340 0.001 0.000 0.309 606 R C -0.039 175.978 176.300 -0.471 0.000 1.059 606 R CA -0.221 55.192 56.100 -1.145 0.000 0.981 606 R CB 0.380 29.935 30.300 -1.241 0.000 0.972 606 R HN 0.965 nan 8.270 nan 0.000 0.437 607 N N 3.636 122.102 118.700 -0.390 0.000 2.420 607 N HA -0.012 4.728 4.740 0.001 0.000 0.262 607 N C 0.651 176.101 175.510 -0.100 0.000 1.144 607 N CA 0.434 53.349 53.050 -0.225 0.000 0.952 607 N CB 1.483 39.756 38.487 -0.357 0.000 1.081 607 N HN 0.702 nan 8.380 nan 0.000 0.480 608 A N 3.878 126.752 122.820 0.091 0.000 1.948 608 A HA -0.151 4.169 4.320 0.001 0.000 0.220 608 A C 1.962 179.550 177.584 0.006 0.000 1.177 608 A CA 1.791 53.843 52.037 0.024 0.000 0.636 608 A CB -0.308 18.694 19.000 0.003 0.000 0.815 608 A HN 0.551 nan 8.150 nan 0.000 0.449 609 V N -0.459 119.484 119.914 0.049 0.000 2.379 609 V HA -0.124 3.996 4.120 0.001 0.000 0.243 609 V C 2.789 178.859 176.094 -0.040 0.000 1.035 609 V CA 2.198 64.516 62.300 0.031 0.000 1.035 609 V CB -1.057 30.861 31.823 0.159 0.000 0.673 609 V HN 0.798 nan 8.190 nan 0.000 0.457 610 T N -3.891 110.587 114.554 -0.128 0.000 3.057 610 T HA -0.024 4.326 4.350 0.001 0.000 0.254 610 T C 1.025 175.656 174.700 -0.114 0.000 1.094 610 T CA 0.250 62.267 62.100 -0.138 0.000 1.088 610 T CB 0.050 68.769 68.868 -0.249 0.000 0.934 610 T HN 0.360 nan 8.240 nan 0.000 0.497 611 Q N 0.545 120.266 119.800 -0.132 0.000 2.480 611 Q HA -0.126 4.214 4.340 0.001 0.000 0.265 611 Q C -0.676 175.260 176.000 -0.107 0.000 1.072 611 Q CA 0.936 56.664 55.803 -0.124 0.000 1.018 611 Q CB -1.613 27.091 28.738 -0.058 0.000 1.433 611 Q HN 0.703 nan 8.270 nan 0.000 0.513 612 E N -0.477 119.638 120.200 -0.141 0.000 2.202 612 E HA 0.475 4.825 4.350 0.001 0.000 0.272 612 E C -0.234 176.295 176.600 -0.117 0.000 0.951 612 E CA -0.657 55.706 56.400 -0.062 0.000 0.813 612 E CB 0.678 30.343 29.700 -0.059 0.000 1.151 612 E HN -0.025 nan 8.360 nan 0.000 0.398 613 F N 0.499 120.413 119.950 -0.059 0.000 2.394 613 F HA 0.522 5.050 4.527 0.001 0.000 0.340 613 F C 1.088 176.849 175.800 -0.064 0.000 1.105 613 F CA 0.522 58.487 58.000 -0.058 0.000 1.124 613 F CB 1.596 40.574 39.000 -0.037 0.000 1.145 613 F HN 0.498 nan 8.300 nan 0.000 0.505 614 G N 2.856 111.705 108.800 0.081 0.000 2.570 614 G HA2 0.480 4.440 3.960 0.001 0.000 0.310 614 G HA3 0.480 4.440 3.960 0.001 0.000 0.310 614 G C -3.312 171.583 174.900 -0.009 0.000 1.266 614 G CA -1.049 44.066 45.100 0.025 0.000 0.825 614 G HN 0.238 nan 8.290 nan 0.000 0.483 615 P HA 0.334 nan 4.420 nan 0.000 0.275 615 P C 1.094 178.345 177.300 -0.082 0.000 1.228 615 P CA -0.446 62.637 63.100 -0.028 0.000 0.786 615 P CB 1.575 33.272 31.700 -0.005 0.000 0.927 616 V N 5.060 124.928 119.914 -0.077 0.000 2.261 616 V HA -0.143 3.978 4.120 0.001 0.000 0.246 616 V C -0.637 175.361 176.094 -0.160 0.000 1.047 616 V CA 2.264 64.484 62.300 -0.134 0.000 1.015 616 V CB -2.322 29.445 31.823 -0.093 0.000 0.642 616 V HN 0.659 nan 8.190 nan 0.000 0.446 617 P HA -0.169 nan 4.420 nan 0.000 0.214 617 P C 0.962 178.224 177.300 -0.064 0.000 1.163 617 P CA 1.944 65.010 63.100 -0.057 0.000 0.883 617 P CB -0.180 31.514 31.700 -0.010 0.000 0.788 618 D N -0.706 119.661 120.400 -0.055 0.000 2.149 618 D HA -0.118 4.522 4.640 0.001 0.000 0.198 618 D C 1.888 178.123 176.300 -0.109 0.000 0.990 618 D CA 1.671 55.644 54.000 -0.045 0.000 0.839 618 D CB -0.939 39.842 40.800 -0.032 0.000 0.948 618 D HN 0.196 nan 8.370 nan 0.000 0.460 619 T N -0.144 114.266 114.554 -0.240 0.000 2.857 619 T HA -0.019 4.332 4.350 0.001 0.000 0.266 619 T C 2.064 176.386 174.700 -0.629 0.000 1.048 619 T CA 1.041 62.859 62.100 -0.469 0.000 1.139 619 T CB -0.263 68.271 68.868 -0.556 0.000 0.874 619 T HN 0.212 nan 8.240 nan 0.000 0.455 620 A N 1.925 124.467 122.820 -0.463 0.000 1.930 620 A HA -0.058 4.263 4.320 0.001 0.000 0.217 620 A C 2.396 179.975 177.584 -0.008 0.000 1.175 620 A CA 1.047 52.863 52.037 -0.368 0.000 0.627 620 A CB -0.393 18.407 19.000 -0.334 0.000 0.815 620 A HN 0.373 nan 8.150 nan 0.000 0.443 621 R N -2.165 118.341 120.500 0.010 0.000 2.066 621 R HA -0.131 4.209 4.340 0.001 0.000 0.232 621 R C 2.155 178.523 176.300 0.113 0.000 1.131 621 R CA 1.617 57.761 56.100 0.072 0.000 0.955 621 R CB -0.575 29.759 30.300 0.056 0.000 0.851 621 R HN 0.668 nan 8.270 nan 0.000 0.432 622 Y N 0.459 120.754 120.300 -0.009 0.000 2.165 622 Y HA -0.306 4.244 4.550 0.001 0.000 0.286 622 Y C 1.878 177.958 175.900 0.299 0.000 1.155 622 Y CA 1.544 59.716 58.100 0.119 0.000 1.164 622 Y CB -0.167 38.303 38.460 0.015 0.000 0.978 622 Y HN 0.022 nan 8.280 nan 0.000 0.513 623 Y N 0.562 121.037 120.300 0.293 0.000 2.242 623 Y HA -0.177 4.374 4.550 0.001 0.000 0.291 623 Y C 2.552 178.565 175.900 0.187 0.000 1.137 623 Y CA 1.277 59.525 58.100 0.247 0.000 1.181 623 Y CB -0.976 37.630 38.460 0.245 0.000 0.989 623 Y HN 0.161 nan 8.280 nan 0.000 0.527 624 K N 0.490 121.097 120.400 0.344 0.000 2.057 624 K HA -0.241 4.080 4.320 0.001 0.000 0.206 624 K C 2.208 178.826 176.600 0.030 0.000 1.050 624 K CA 1.474 57.872 56.287 0.186 0.000 0.935 624 K CB -0.149 32.451 32.500 0.167 0.000 0.715 624 K HN 0.371 nan 8.250 nan 0.000 0.439 625 Q N -0.227 119.534 119.800 -0.066 0.000 2.096 625 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 625 Q C 1.256 176.984 176.000 -0.453 0.000 0.982 625 Q CA 1.444 57.078 55.803 -0.282 0.000 0.850 625 Q CB 0.011 28.514 28.738 -0.390 0.000 0.901 625 Q HN 0.508 nan 8.270 nan 0.000 0.422 626 H N -1.669 117.316 119.070 -0.142 0.000 2.533 626 H HA 0.155 4.712 4.556 0.001 0.000 0.271 626 H C 0.973 176.280 175.328 -0.036 0.000 1.000 626 H CA 0.816 56.789 56.048 -0.125 0.000 1.149 626 H CB 0.727 30.355 29.762 -0.224 0.000 1.375 626 H HN 0.576 nan 8.280 nan 0.000 0.582 627 G N 1.463 110.291 108.800 0.046 0.000 2.143 627 G HA2 -0.268 3.692 3.960 0.001 0.000 0.249 627 G HA3 -0.268 3.692 3.960 0.001 0.000 0.249 627 G C 0.245 175.182 174.900 0.062 0.000 0.981 627 G CA 0.016 45.142 45.100 0.042 0.000 0.665 627 G HN 0.357 nan 8.290 nan 0.000 0.528 628 I N 1.292 121.927 120.570 0.107 0.000 2.322 628 I HA 0.297 4.468 4.170 0.001 0.000 0.292 628 I C 1.019 177.215 176.117 0.131 0.000 1.060 628 I CA -0.577 60.759 61.300 0.061 0.000 1.309 628 I CB 0.632 38.600 38.000 -0.053 0.000 1.415 628 I HN 0.027 nan 8.210 nan 0.000 0.492 629 R N 7.560 128.093 120.500 0.056 0.000 2.347 629 R HA 0.270 4.611 4.340 0.001 0.000 0.304 629 R C -0.673 175.670 176.300 0.072 0.000 1.072 629 R CA -0.086 56.017 56.100 0.006 0.000 0.980 629 R CB 0.790 31.068 30.300 -0.037 0.000 0.986 629 R HN 0.633 nan 8.270 nan 0.000 0.448 630 W N 1.482 122.796 121.300 0.022 0.000 2.850 630 W HA 0.731 5.391 4.660 0.001 0.000 0.349 630 W C -1.449 175.091 176.519 0.035 0.000 1.133 630 W CA -1.124 56.239 57.345 0.030 0.000 1.117 630 W CB 0.454 29.988 29.460 0.122 0.000 1.442 630 W HN 0.190 nan 8.180 nan 0.000 0.575 631 V N 1.328 121.509 119.914 0.445 0.000 2.962 631 V HA 0.583 4.704 4.120 0.001 0.000 0.313 631 V C -0.743 175.577 176.094 0.377 0.000 1.099 631 V CA -0.920 61.542 62.300 0.270 0.000 0.971 631 V CB 2.418 34.311 31.823 0.118 0.000 1.028 631 V HN 0.441 nan 8.190 nan 0.000 0.430 632 V N 4.930 125.003 119.914 0.266 0.000 2.667 632 V HA 0.560 4.681 4.120 0.001 0.000 0.308 632 V C -0.642 175.490 176.094 0.063 0.000 1.048 632 V CA -0.666 61.752 62.300 0.198 0.000 0.928 632 V CB 2.006 33.970 31.823 0.235 0.000 1.004 632 V HN 0.554 nan 8.190 nan 0.000 0.444 633 I N 3.482 124.087 120.570 0.057 0.000 2.378 633 I HA 0.654 4.825 4.170 0.001 0.000 0.291 633 I C 0.548 176.717 176.117 0.086 0.000 0.992 633 I CA 0.110 61.446 61.300 0.060 0.000 1.154 633 I CB 1.199 39.239 38.000 0.066 0.000 1.315 633 I HN 0.736 nan 8.210 nan 0.000 0.448 634 G N 4.249 113.070 108.800 0.035 0.000 2.658 634 G HA2 0.442 4.402 3.960 0.001 0.000 0.292 634 G HA3 0.442 4.402 3.960 0.001 0.000 0.292 634 G C -0.576 174.379 174.900 0.092 0.000 1.320 634 G CA -0.214 44.887 45.100 0.002 0.000 0.933 634 G HN 0.472 nan 8.290 nan 0.000 0.476 635 D N -0.741 119.680 120.400 0.036 0.000 2.311 635 D HA 0.211 4.852 4.640 0.001 0.000 0.278 635 D C 0.049 176.262 176.300 -0.145 0.000 1.189 635 D CA -0.061 53.830 54.000 -0.183 0.000 1.117 635 D CB 0.607 41.314 40.800 -0.155 0.000 1.168 635 D HN 0.297 nan 8.370 nan 0.000 0.509 636 E N 1.023 121.146 120.200 -0.128 0.000 2.231 636 E HA 0.118 4.468 4.350 0.001 0.000 0.277 636 E C -0.210 176.363 176.600 -0.046 0.000 0.999 636 E CA -0.315 56.032 56.400 -0.089 0.000 0.827 636 E CB 1.105 30.754 29.700 -0.085 0.000 1.101 636 E HN 0.415 nan 8.360 nan 0.000 0.393 637 N N 2.700 121.385 118.700 -0.025 0.000 2.727 637 N HA -0.263 4.477 4.740 0.001 0.000 0.251 637 N C -1.140 174.375 175.510 0.009 0.000 1.040 637 N CA 0.090 53.144 53.050 0.008 0.000 0.712 637 N CB -0.783 37.699 38.487 -0.008 0.000 0.912 637 N HN 0.472 nan 8.380 nan 0.000 0.545 638 Y N 0.355 120.593 120.300 -0.103 0.000 2.377 638 Y HA 0.359 4.909 4.550 0.001 0.000 0.330 638 Y C 1.405 177.365 175.900 0.100 0.000 1.108 638 Y CA 1.452 59.509 58.100 -0.071 0.000 1.308 638 Y CB 0.817 39.169 38.460 -0.180 0.000 1.216 638 Y HN 0.338 nan 8.280 nan 0.000 0.518 639 G N 3.905 112.362 108.800 -0.572 0.000 2.131 639 G HA2 -0.275 3.686 3.960 0.001 0.000 0.223 639 G HA3 -0.275 3.686 3.960 0.001 0.000 0.223 639 G C 0.050 174.842 174.900 -0.180 0.000 0.990 639 G CA 0.018 44.830 45.100 -0.480 0.000 0.671 639 G HN 0.787 nan 8.290 nan 0.000 0.521 640 E N 0.152 120.256 120.200 -0.159 0.000 2.481 640 E HA 0.412 4.762 4.350 0.001 0.000 0.263 640 E C 1.218 177.819 176.600 0.002 0.000 0.992 640 E CA 1.497 57.863 56.400 -0.057 0.000 0.938 640 E CB 0.127 29.762 29.700 -0.109 0.000 0.933 640 E HN 1.657 nan 8.360 nan 0.000 0.453 641 G N 2.614 111.476 108.800 0.103 0.000 2.395 641 G HA2 -0.040 3.920 3.960 0.001 0.000 0.201 641 G HA3 -0.040 3.920 3.960 0.001 0.000 0.201 641 G C -0.359 174.601 174.900 0.099 0.000 1.206 641 G CA -0.249 44.969 45.100 0.196 0.000 1.210 641 G HN 0.955 nan 8.290 nan 0.000 0.557 642 A N -0.069 122.819 122.820 0.112 0.000 2.555 642 A HA 0.535 4.855 4.320 0.001 0.000 0.233 642 A C 1.794 179.422 177.584 0.074 0.000 1.060 642 A CA 1.623 53.709 52.037 0.081 0.000 0.759 642 A CB 0.166 19.233 19.000 0.113 0.000 0.995 642 A HN 2.303 nan 8.150 nan 0.000 0.506 643 S N 1.485 117.228 115.700 0.073 0.000 2.562 643 S HA -0.041 4.429 4.470 0.001 0.000 0.221 643 S C 0.895 175.566 174.600 0.118 0.000 0.975 643 S CA 0.268 58.523 58.200 0.091 0.000 0.918 643 S CB -0.384 62.857 63.200 0.069 0.000 0.772 643 S HN 0.878 nan 8.310 nan 0.000 0.531 644 R N 2.431 123.007 120.500 0.126 0.000 2.955 644 R HA -0.098 4.242 4.340 0.001 0.000 0.334 644 R C 0.809 177.253 176.300 0.241 0.000 0.778 644 R CA 0.865 57.083 56.100 0.197 0.000 1.110 644 R CB -0.465 29.933 30.300 0.164 0.000 0.889 644 R HN 0.677 nan 8.270 nan 0.000 0.396 645 E N 2.299 122.619 120.200 0.201 0.000 2.463 645 E HA -0.241 4.109 4.350 0.001 0.000 0.201 645 E C 0.249 176.889 176.600 0.066 0.000 1.045 645 E CA 1.256 57.720 56.400 0.107 0.000 0.872 645 E CB -0.196 29.508 29.700 0.007 0.000 0.797 645 E HN 0.821 nan 8.360 nan 0.000 0.538 646 H N 1.039 120.175 119.070 0.109 0.000 2.421 646 H HA -0.017 4.539 4.556 0.001 0.000 0.298 646 H C 1.975 177.383 175.328 0.133 0.000 1.087 646 H CA 1.648 57.764 56.048 0.113 0.000 1.330 646 H CB -0.035 29.787 29.762 0.100 0.000 1.388 646 H HN 0.141 nan 8.280 nan 0.000 0.526 647 S N -0.383 115.465 115.700 0.245 0.000 2.474 647 S HA -0.038 4.432 4.470 0.001 0.000 0.235 647 S C 2.123 176.925 174.600 0.336 0.000 0.997 647 S CA 0.769 59.107 58.200 0.230 0.000 0.949 647 S CB -0.006 63.270 63.200 0.127 0.000 0.766 647 S HN 0.610 nan 8.310 nan 0.000 0.517 648 A N 0.179 123.168 122.820 0.282 0.000 2.140 648 A HA 0.428 4.748 4.320 0.001 0.000 0.209 648 A C 1.813 179.463 177.584 0.110 0.000 1.181 648 A CA -0.017 52.135 52.037 0.192 0.000 0.824 648 A CB -0.120 18.926 19.000 0.076 0.000 0.879 648 A HN 0.398 nan 8.150 nan 0.000 0.480 649 L N -0.686 120.606 121.223 0.115 0.000 2.162 649 L HA -0.049 4.292 4.340 0.001 0.000 0.205 649 L C 2.422 179.398 176.870 0.177 0.000 1.086 649 L CA 1.044 55.964 54.840 0.133 0.000 0.778 649 L CB -0.255 41.855 42.059 0.086 0.000 0.928 649 L HN 0.418 nan 8.230 nan 0.000 0.446 650 E N 0.160 120.472 120.200 0.187 0.000 2.072 650 E HA -0.173 4.177 4.350 0.001 0.000 0.191 650 E C -0.820 175.933 176.600 0.256 0.000 0.985 650 E CA 1.094 57.634 56.400 0.233 0.000 0.801 650 E CB -0.773 29.051 29.700 0.206 0.000 0.750 650 E HN 0.431 nan 8.360 nan 0.000 0.452 651 P HA -0.148 nan 4.420 nan 0.000 0.222 651 P C 1.135 178.434 177.300 -0.003 0.000 1.147 651 P CA 1.103 64.358 63.100 0.259 0.000 0.790 651 P CB 0.115 31.977 31.700 0.270 0.000 0.780 652 R N -0.326 120.132 120.500 -0.069 0.000 2.090 652 R HA -0.112 4.228 4.340 0.001 0.000 0.228 652 R C 2.545 178.750 176.300 -0.158 0.000 1.110 652 R CA 1.429 57.348 56.100 -0.302 0.000 0.973 652 R CB -1.802 28.128 30.300 -0.617 0.000 0.869 652 R HN 0.265 nan 8.270 nan 0.000 0.440 653 H N -0.152 118.929 119.070 0.018 0.000 2.326 653 H HA -0.002 4.554 4.556 0.001 0.000 0.301 653 H C 1.018 176.436 175.328 0.150 0.000 1.081 653 H CA 1.447 57.598 56.048 0.171 0.000 1.334 653 H CB 0.162 30.057 29.762 0.223 0.000 1.385 653 H HN 0.162 nan 8.280 nan 0.000 0.504 654 L N 0.478 121.779 121.223 0.130 0.000 2.693 654 L HA 0.065 4.405 4.340 0.001 0.000 0.242 654 L C 1.391 178.460 176.870 0.331 0.000 1.157 654 L CA 0.688 55.648 54.840 0.200 0.000 0.929 654 L CB 0.061 42.338 42.059 0.363 0.000 1.103 654 L HN 0.642 nan 8.230 nan 0.000 0.430 655 G N -0.545 108.267 108.800 0.021 0.000 2.176 655 G HA2 -0.215 3.745 3.960 0.001 0.000 0.232 655 G HA3 -0.215 3.745 3.960 0.001 0.000 0.232 655 G C 0.640 175.055 174.900 -0.808 0.000 0.986 655 G CA -0.258 44.742 45.100 -0.168 0.000 0.643 655 G HN 0.526 nan 8.290 nan 0.000 0.522 656 G N -0.728 107.254 108.800 -1.364 0.000 2.484 656 G HA2 0.437 4.398 3.960 0.001 0.000 0.235 656 G HA3 0.437 4.398 3.960 0.001 0.000 0.235 656 G C 0.632 175.037 174.900 -0.824 0.000 1.282 656 G CA 0.648 44.605 45.100 -1.905 0.000 0.857 656 G HN 0.411 nan 8.290 nan 0.000 0.571 657 R N 0.153 120.321 120.500 -0.554 0.000 2.383 657 R HA 0.511 4.851 4.340 0.001 0.000 0.205 657 R C 0.572 176.781 176.300 -0.152 0.000 0.875 657 R CA 0.931 56.873 56.100 -0.264 0.000 1.039 657 R CB 0.695 30.883 30.300 -0.187 0.000 1.267 657 R HN 0.841 nan 8.270 nan 0.000 0.635 658 A N 0.108 122.849 122.820 -0.131 0.000 2.604 658 A HA 0.602 4.922 4.320 0.001 0.000 0.295 658 A C -1.695 175.881 177.584 -0.013 0.000 1.067 658 A CA -0.651 51.339 52.037 -0.079 0.000 0.683 658 A CB 1.248 20.187 19.000 -0.102 0.000 1.281 658 A HN -0.001 nan 8.150 nan 0.000 0.407 659 I N 1.591 122.181 120.570 0.033 0.000 2.465 659 I HA 0.522 4.692 4.170 0.001 0.000 0.291 659 I C -0.783 175.375 176.117 0.068 0.000 1.014 659 I CA -0.380 60.965 61.300 0.074 0.000 1.093 659 I CB 1.446 39.551 38.000 0.175 0.000 1.267 659 I HN 0.557 nan 8.210 nan 0.000 0.431 660 I N 5.227 125.752 120.570 -0.075 0.000 2.466 660 I HA 0.470 4.640 4.170 0.001 0.000 0.289 660 I C 0.030 175.952 176.117 -0.325 0.000 1.026 660 I CA -0.195 60.974 61.300 -0.218 0.000 1.078 660 I CB 2.349 40.175 38.000 -0.291 0.000 1.249 660 I HN 0.693 nan 8.210 nan 0.000 0.429 661 T N 0.717 114.991 114.554 -0.466 0.000 2.812 661 T HA 0.459 4.809 4.350 0.001 0.000 0.294 661 T C 0.461 175.037 174.700 -0.206 0.000 1.159 661 T CA -0.874 60.991 62.100 -0.391 0.000 1.008 661 T CB 2.233 70.614 68.868 -0.812 0.000 1.289 661 T HN 0.440 nan 8.240 nan 0.000 0.514 662 K N 0.490 120.878 120.400 -0.019 0.000 2.007 662 K HA 0.153 4.474 4.320 0.001 0.000 0.206 662 K C 0.771 177.337 176.600 -0.056 0.000 1.047 662 K CA 1.324 57.642 56.287 0.052 0.000 0.937 662 K CB -0.110 32.370 32.500 -0.034 0.000 0.718 662 K HN 0.793 nan 8.250 nan 0.000 0.438 663 S N -0.972 114.639 115.700 -0.149 0.000 2.651 663 S HA 0.586 5.057 4.470 0.001 0.000 0.279 663 S C -0.956 173.504 174.600 -0.233 0.000 1.148 663 S CA -1.090 57.048 58.200 -0.102 0.000 0.837 663 S CB 1.175 64.373 63.200 -0.003 0.000 1.138 663 S HN -0.021 nan 8.310 nan 0.000 0.478 664 F N 0.506 120.528 119.950 0.120 0.000 2.556 664 F HA 0.788 5.315 4.527 0.001 0.000 0.327 664 F C 0.648 176.528 175.800 0.133 0.000 1.059 664 F CA -0.675 57.431 58.000 0.177 0.000 0.953 664 F CB 1.783 40.887 39.000 0.173 0.000 1.227 664 F HN 0.926 nan 8.300 nan 0.000 0.478 665 A N 2.229 125.260 122.820 0.352 0.000 2.327 665 A HA 0.369 4.689 4.320 0.001 0.000 0.283 665 A C 1.504 179.236 177.584 0.246 0.000 1.127 665 A CA -0.489 51.684 52.037 0.226 0.000 0.810 665 A CB 0.562 19.662 19.000 0.166 0.000 1.066 665 A HN 0.988 nan 8.150 nan 0.000 0.492 666 R N 1.552 122.153 120.500 0.169 0.000 2.112 666 R HA -0.196 4.144 4.340 0.001 0.000 0.242 666 R C 1.317 177.694 176.300 0.130 0.000 1.137 666 R CA 2.479 58.661 56.100 0.136 0.000 0.944 666 R CB -0.378 29.985 30.300 0.105 0.000 0.857 666 R HN 0.853 nan 8.270 nan 0.000 0.435 667 I N -0.851 119.804 120.570 0.143 0.000 2.286 667 I HA -0.204 3.966 4.170 0.001 0.000 0.245 667 I C 2.424 178.634 176.117 0.155 0.000 1.104 667 I CA 1.158 62.541 61.300 0.139 0.000 1.397 667 I CB -0.476 37.602 38.000 0.130 0.000 1.072 667 I HN 0.306 nan 8.210 nan 0.000 0.417 668 H N 1.153 120.282 119.070 0.099 0.000 2.387 668 H HA -0.211 4.345 4.556 0.001 0.000 0.299 668 H C 2.121 177.489 175.328 0.067 0.000 1.099 668 H CA 1.958 58.071 56.048 0.109 0.000 1.315 668 H CB 0.022 29.876 29.762 0.153 0.000 1.380 668 H HN 0.321 nan 8.280 nan 0.000 0.513 669 E N -0.990 119.160 120.200 -0.083 0.000 2.106 669 E HA -0.140 4.211 4.350 0.001 0.000 0.192 669 E C 1.725 178.192 176.600 -0.222 0.000 0.984 669 E CA 1.542 57.757 56.400 -0.308 0.000 0.806 669 E CB 0.127 29.693 29.700 -0.224 0.000 0.750 669 E HN 0.540 nan 8.360 nan 0.000 0.458 670 T N 0.737 115.244 114.554 -0.078 0.000 2.708 670 T HA -0.132 4.218 4.350 0.001 0.000 0.266 670 T C 1.540 176.220 174.700 -0.034 0.000 1.037 670 T CA 1.599 63.688 62.100 -0.018 0.000 1.146 670 T CB -0.490 68.419 68.868 0.068 0.000 0.865 670 T HN 0.312 nan 8.240 nan 0.000 0.435 671 N N 1.027 119.699 118.700 -0.046 0.000 2.104 671 N HA -0.023 4.718 4.740 0.001 0.000 0.190 671 N C 1.859 177.305 175.510 -0.107 0.000 1.024 671 N CA 0.830 53.848 53.050 -0.054 0.000 0.853 671 N CB -0.377 38.118 38.487 0.013 0.000 1.008 671 N HN 0.259 nan 8.380 nan 0.000 0.424 672 L N 1.285 122.373 121.223 -0.225 0.000 2.012 672 L HA -0.191 4.150 4.340 0.001 0.000 0.210 672 L C 2.083 178.913 176.870 -0.066 0.000 1.073 672 L CA 1.403 56.133 54.840 -0.183 0.000 0.748 672 L CB -0.337 41.542 42.059 -0.300 0.000 0.891 672 L HN 0.178 nan 8.230 nan 0.000 0.431 673 K N -0.519 119.841 120.400 -0.068 0.000 2.211 673 K HA -0.116 4.204 4.320 0.001 0.000 0.203 673 K C 2.090 178.817 176.600 0.212 0.000 1.050 673 K CA 0.635 56.954 56.287 0.054 0.000 0.945 673 K CB -0.035 32.295 32.500 -0.282 0.000 0.732 673 K HN 0.106 nan 8.250 nan 0.000 0.451 674 K N 0.862 121.277 120.400 0.026 0.000 2.097 674 K HA -0.079 4.241 4.320 0.001 0.000 0.206 674 K C 1.664 178.203 176.600 -0.102 0.000 1.049 674 K CA 1.189 57.345 56.287 -0.217 0.000 0.933 674 K CB 0.091 32.423 32.500 -0.280 0.000 0.717 674 K HN 0.154 nan 8.250 nan 0.000 0.442 675 Q N -0.577 119.219 119.800 -0.008 0.000 2.280 675 Q HA 0.129 4.469 4.340 0.001 0.000 0.202 675 Q C 0.840 176.838 176.000 -0.003 0.000 0.903 675 Q CA 0.481 56.305 55.803 0.035 0.000 0.948 675 Q CB 0.568 29.308 28.738 0.003 0.000 1.058 675 Q HN 0.509 nan 8.270 nan 0.000 0.493 676 G N 0.278 109.136 108.800 0.097 0.000 2.175 676 G HA2 -0.269 3.691 3.960 0.001 0.000 0.244 676 G HA3 -0.269 3.691 3.960 0.001 0.000 0.244 676 G C 0.077 175.092 174.900 0.191 0.000 0.982 676 G CA 0.055 45.238 45.100 0.138 0.000 0.641 676 G HN 0.316 nan 8.290 nan 0.000 0.527 677 L N -0.061 121.229 121.223 0.111 0.000 2.454 677 L HA 0.681 5.021 4.340 0.001 0.000 0.256 677 L C 0.879 177.833 176.870 0.140 0.000 1.136 677 L CA -0.826 54.057 54.840 0.072 0.000 0.804 677 L CB 0.949 42.992 42.059 -0.027 0.000 1.181 677 L HN 0.058 nan 8.230 nan 0.000 0.469 678 L N 3.591 124.816 121.223 0.003 0.000 2.283 678 L HA 0.367 4.707 4.340 0.001 0.000 0.281 678 L C -2.200 174.649 176.870 -0.035 0.000 1.033 678 L CA -1.650 53.144 54.840 -0.077 0.000 0.848 678 L CB 1.169 43.014 42.059 -0.357 0.000 1.226 678 L HN 0.303 nan 8.230 nan 0.000 0.429 679 P HA 0.272 nan 4.420 nan 0.000 0.281 679 P C -1.062 176.248 177.300 0.016 0.000 1.286 679 P CA -0.080 62.882 63.100 -0.230 0.000 0.772 679 P CB 1.071 32.293 31.700 -0.796 0.000 0.862 680 L N 3.311 124.664 121.223 0.216 0.000 2.370 680 L HA 0.607 4.948 4.340 0.001 0.000 0.266 680 L C 0.804 177.755 176.870 0.134 0.000 1.002 680 L CA -0.639 54.286 54.840 0.142 0.000 0.818 680 L CB 2.422 44.455 42.059 -0.044 0.000 1.325 680 L HN 0.308 nan 8.230 nan 0.000 0.418 681 T N -2.231 112.356 114.554 0.055 0.000 2.918 681 T HA 0.607 4.957 4.350 0.001 0.000 0.286 681 T C -0.330 174.264 174.700 -0.177 0.000 1.026 681 T CA -0.655 61.397 62.100 -0.080 0.000 1.031 681 T CB 1.109 70.016 68.868 0.065 0.000 1.046 681 T HN 0.082 nan 8.240 nan 0.000 0.479 682 F N 1.219 121.182 119.950 0.022 0.000 2.578 682 F HA 0.422 4.949 4.527 0.001 0.000 0.376 682 F C 1.744 177.550 175.800 0.010 0.000 1.085 682 F CA -0.564 57.446 58.000 0.016 0.000 1.260 682 F CB 0.150 39.160 39.000 0.016 0.000 1.095 682 F HN 0.871 nan 8.300 nan 0.000 0.573 683 A N 1.542 124.472 122.820 0.183 0.000 1.969 683 A HA -0.099 4.221 4.320 0.001 0.000 0.218 683 A C 0.647 178.293 177.584 0.103 0.000 1.169 683 A CA 1.400 53.498 52.037 0.102 0.000 0.635 683 A CB -0.350 18.689 19.000 0.064 0.000 0.810 683 A HN 0.642 nan 8.150 nan 0.000 0.445 684 D N -1.519 118.959 120.400 0.130 0.000 2.471 684 D HA 0.300 4.941 4.640 0.001 0.000 0.245 684 D C -2.109 174.217 176.300 0.044 0.000 1.116 684 D CA -2.274 51.767 54.000 0.068 0.000 0.853 684 D CB 1.662 42.481 40.800 0.031 0.000 1.123 684 D HN -0.038 nan 8.370 nan 0.000 0.540 685 P HA -0.110 nan 4.420 nan 0.000 0.226 685 P C 0.915 178.103 177.300 -0.187 0.000 1.146 685 P CA 0.543 63.610 63.100 -0.055 0.000 0.773 685 P CB 0.277 31.965 31.700 -0.020 0.000 0.772 686 A N 0.459 123.198 122.820 -0.134 0.000 2.016 686 A HA -0.118 4.203 4.320 0.001 0.000 0.217 686 A C 1.846 179.319 177.584 -0.185 0.000 1.162 686 A CA 1.155 53.122 52.037 -0.117 0.000 0.662 686 A CB -0.965 17.999 19.000 -0.061 0.000 0.812 686 A HN 0.046 nan 8.150 nan 0.000 0.450 687 D N -1.144 119.089 120.400 -0.279 0.000 2.322 687 D HA -0.223 4.418 4.640 0.001 0.000 0.210 687 D C 1.357 177.307 176.300 -0.583 0.000 0.983 687 D CA 1.380 55.163 54.000 -0.362 0.000 0.902 687 D CB -0.429 40.202 40.800 -0.281 0.000 0.905 687 D HN 0.719 nan 8.370 nan 0.000 0.483 688 Y N 1.992 121.712 120.300 -0.967 0.000 2.207 688 Y HA -0.197 4.353 4.550 0.001 0.000 0.287 688 Y C 1.711 177.424 175.900 -0.312 0.000 1.156 688 Y CA 1.441 59.115 58.100 -0.711 0.000 1.182 688 Y CB -0.163 37.989 38.460 -0.513 0.000 0.979 688 Y HN -0.050 nan 8.280 nan 0.000 0.521 689 N N 0.466 119.100 118.700 -0.110 0.000 2.459 689 N HA -0.110 4.630 4.740 0.001 0.000 0.181 689 N C 1.083 176.515 175.510 -0.130 0.000 1.046 689 N CA 1.079 54.074 53.050 -0.091 0.000 0.904 689 N CB -0.137 38.352 38.487 0.003 0.000 0.964 689 N HN 0.517 nan 8.380 nan 0.000 0.444 690 K N 0.381 120.677 120.400 -0.173 0.000 2.444 690 K HA 0.225 4.545 4.320 0.001 0.000 0.193 690 K C 0.330 176.718 176.600 -0.354 0.000 1.024 690 K CA 0.304 56.505 56.287 -0.143 0.000 1.077 690 K CB 0.706 33.177 32.500 -0.049 0.000 0.833 690 K HN 0.103 nan 8.250 nan 0.000 0.517 691 I N 1.374 121.655 120.570 -0.482 0.000 2.378 691 I HA 0.177 4.347 4.170 0.001 0.000 0.291 691 I C -0.661 175.091 176.117 -0.608 0.000 0.992 691 I CA -0.854 60.158 61.300 -0.479 0.000 1.154 691 I CB 1.295 39.161 38.000 -0.225 0.000 1.315 691 I HN 0.082 nan 8.210 nan 0.000 0.448 692 H N 5.883 124.947 119.070 -0.010 0.000 2.529 692 H HA 0.294 4.851 4.556 0.001 0.000 0.348 692 H C -1.921 173.403 175.328 -0.007 0.000 1.152 692 H CA -2.023 54.021 56.048 -0.007 0.000 1.202 692 H CB 0.908 30.694 29.762 0.040 0.000 1.562 692 H HN 0.319 nan 8.280 nan 0.000 0.515 693 P HA -0.208 nan 4.420 nan 0.000 0.221 693 P C 1.124 178.458 177.300 0.056 0.000 1.141 693 P CA 0.840 63.974 63.100 0.057 0.000 0.794 693 P CB 0.344 32.081 31.700 0.062 0.000 0.764 694 V N -1.600 118.365 119.914 0.085 0.000 3.650 694 V HA 0.074 4.195 4.120 0.001 0.000 0.271 694 V C 0.286 176.414 176.094 0.057 0.000 1.281 694 V CA 0.289 62.625 62.300 0.060 0.000 1.120 694 V CB -0.419 31.441 31.823 0.062 0.000 0.856 694 V HN -0.031 nan 8.190 nan 0.000 0.443 695 D N 1.596 122.036 120.400 0.067 0.000 2.344 695 D HA 0.286 4.927 4.640 0.001 0.000 0.244 695 D C -0.094 176.193 176.300 -0.022 0.000 1.134 695 D CA 0.140 54.150 54.000 0.016 0.000 0.930 695 D CB 0.735 41.511 40.800 -0.041 0.000 1.175 695 D HN 0.163 nan 8.370 nan 0.000 0.437 696 K N 0.916 121.289 120.400 -0.044 0.000 2.203 696 K HA 0.571 4.892 4.320 0.001 0.000 0.251 696 K C -0.436 176.130 176.600 -0.056 0.000 0.944 696 K CA -0.690 55.572 56.287 -0.041 0.000 0.829 696 K CB 1.806 34.286 32.500 -0.035 0.000 1.125 696 K HN 0.323 nan 8.250 nan 0.000 0.430 697 L N 1.254 122.452 121.223 -0.043 0.000 2.385 697 L HA 0.419 4.759 4.340 0.001 0.000 0.273 697 L C -0.282 176.563 176.870 -0.042 0.000 0.990 697 L CA -0.769 54.043 54.840 -0.047 0.000 0.821 697 L CB 2.234 44.270 42.059 -0.038 0.000 1.279 697 L HN 0.433 nan 8.230 nan 0.000 0.412 698 T N 4.029 118.557 114.554 -0.044 0.000 2.772 698 T HA 0.509 4.859 4.350 0.001 0.000 0.288 698 T C -0.030 174.639 174.700 -0.051 0.000 0.994 698 T CA -0.390 61.686 62.100 -0.040 0.000 0.951 698 T CB 0.961 69.811 68.868 -0.031 0.000 0.933 698 T HN 0.177 nan 8.240 nan 0.000 0.447 699 I N 3.723 124.253 120.570 -0.067 0.000 2.365 699 I HA 0.386 4.557 4.170 0.001 0.000 0.291 699 I C 0.326 176.391 176.117 -0.088 0.000 1.004 699 I CA -0.397 60.841 61.300 -0.104 0.000 1.311 699 I CB 1.141 39.042 38.000 -0.165 0.000 1.401 699 I HN 0.652 nan 8.210 nan 0.000 0.491 700 Q N 3.522 123.268 119.800 -0.089 0.000 2.359 700 Q HA 0.556 4.896 4.340 0.001 0.000 0.274 700 Q C -0.005 175.954 176.000 -0.068 0.000 1.074 700 Q CA -0.357 55.411 55.803 -0.058 0.000 0.810 700 Q CB 2.240 30.958 28.738 -0.033 0.000 1.342 700 Q HN 0.933 nan 8.270 nan 0.000 0.427 701 G N 3.019 111.798 108.800 -0.035 0.000 2.215 701 G HA2 -0.168 3.792 3.960 0.001 0.000 0.198 701 G HA3 -0.168 3.792 3.960 0.001 0.000 0.198 701 G C -0.041 174.825 174.900 -0.056 0.000 1.047 701 G CA -0.041 45.048 45.100 -0.019 0.000 0.747 701 G HN 0.495 nan 8.290 nan 0.000 0.495 702 L N -0.576 120.611 121.223 -0.059 0.000 2.395 702 L HA 0.234 4.575 4.340 0.001 0.000 0.218 702 L C 2.533 179.479 176.870 0.126 0.000 1.130 702 L CA 1.918 56.670 54.840 -0.147 0.000 0.826 702 L CB -0.465 41.558 42.059 -0.061 0.000 0.941 702 L HN 0.331 nan 8.230 nan 0.000 0.451 703 K N 0.407 120.961 120.400 0.257 0.000 2.217 703 K HA -0.087 4.234 4.320 0.001 0.000 0.202 703 K C 0.326 177.056 176.600 0.217 0.000 1.051 703 K CA 1.115 57.601 56.287 0.331 0.000 0.952 703 K CB -0.102 32.526 32.500 0.213 0.000 0.736 703 K HN 0.415 nan 8.250 nan 0.000 0.453 704 D N -0.880 119.607 120.400 0.145 0.000 2.891 704 D HA 0.022 4.663 4.640 0.001 0.000 0.332 704 D C -0.620 175.753 176.300 0.122 0.000 1.369 704 D CA -0.624 53.441 54.000 0.109 0.000 0.827 704 D CB -0.344 40.502 40.800 0.076 0.000 1.141 704 D HN -0.145 nan 8.370 nan 0.000 0.464 705 F N 2.365 122.256 119.950 -0.098 0.000 2.578 705 F HA 0.468 4.996 4.527 0.001 0.000 0.376 705 F C -0.095 175.613 175.800 -0.153 0.000 1.085 705 F CA -1.279 56.596 58.000 -0.208 0.000 1.260 705 F CB 0.220 38.988 39.000 -0.386 0.000 1.095 705 F HN 0.266 nan 8.300 nan 0.000 0.573 706 A N 7.278 130.077 122.820 -0.035 0.000 2.549 706 A HA 0.689 5.009 4.320 0.001 0.000 0.297 706 A C -2.954 174.634 177.584 0.008 0.000 1.061 706 A CA -1.781 50.206 52.037 -0.083 0.000 0.690 706 A CB 1.424 20.427 19.000 0.005 0.000 1.287 706 A HN 0.486 nan 8.150 nan 0.000 0.402 707 P HA 0.348 nan 4.420 nan 0.000 0.267 707 P C 1.117 178.459 177.300 0.069 0.000 1.209 707 P CA 1.978 65.121 63.100 0.071 0.000 0.763 707 P CB 0.817 32.519 31.700 0.004 0.000 0.816 708 G N 2.388 111.215 108.800 0.044 0.000 2.336 708 G HA2 -0.252 3.708 3.960 0.001 0.000 0.233 708 G HA3 -0.252 3.708 3.960 0.001 0.000 0.233 708 G C 0.292 175.162 174.900 -0.050 0.000 1.053 708 G CA -0.184 44.898 45.100 -0.031 0.000 0.625 708 G HN 0.678 nan 8.290 nan 0.000 0.511 709 K N 2.804 123.221 120.400 0.029 0.000 2.316 709 K HA 0.384 4.704 4.320 0.001 0.000 0.289 709 K C -1.968 174.672 176.600 0.068 0.000 1.070 709 K CA -1.522 54.795 56.287 0.050 0.000 0.928 709 K CB 1.371 33.926 32.500 0.092 0.000 1.039 709 K HN 0.263 nan 8.250 nan 0.000 0.480 710 P HA 0.114 nan 4.420 nan 0.000 0.274 710 P C -0.523 176.811 177.300 0.056 0.000 1.256 710 P CA -0.312 62.776 63.100 -0.020 0.000 0.795 710 P CB 0.894 32.562 31.700 -0.052 0.000 1.038 711 L N 0.401 121.642 121.223 0.031 0.000 2.334 711 L HA 0.451 4.791 4.340 0.001 0.000 0.272 711 L C 0.858 177.706 176.870 -0.036 0.000 1.020 711 L CA -0.962 53.857 54.840 -0.035 0.000 0.812 711 L CB 1.355 43.334 42.059 -0.133 0.000 1.264 711 L HN 0.253 nan 8.230 nan 0.000 0.439 712 K N 0.964 121.339 120.400 -0.042 0.000 2.130 712 K HA 0.446 4.766 4.320 0.001 0.000 0.268 712 K C -1.078 175.499 176.600 -0.039 0.000 0.983 712 K CA -0.496 55.776 56.287 -0.026 0.000 0.893 712 K CB 1.881 34.371 32.500 -0.017 0.000 1.066 712 K HN 0.491 nan 8.250 nan 0.000 0.450 713 C N 4.442 123.729 119.300 -0.022 0.000 2.346 713 C HA 0.491 4.951 4.460 0.001 0.000 0.326 713 C C -0.791 174.186 174.990 -0.021 0.000 1.224 713 C CA -0.822 58.178 59.018 -0.029 0.000 1.408 713 C CB -0.614 27.114 27.740 -0.019 0.000 2.089 713 C HN 0.719 nan 8.230 nan 0.000 0.456 714 I N 7.412 127.963 120.570 -0.032 0.000 2.312 714 I HA 0.353 4.523 4.170 0.001 0.000 0.291 714 I C 0.373 176.452 176.117 -0.064 0.000 1.031 714 I CA 0.225 61.503 61.300 -0.037 0.000 1.293 714 I CB 0.834 38.816 38.000 -0.030 0.000 1.403 714 I HN 0.510 nan 8.210 nan 0.000 0.484 715 I N 7.174 127.686 120.570 -0.096 0.000 2.337 715 I HA 0.208 4.378 4.170 0.001 0.000 0.291 715 I C 0.234 176.197 176.117 -0.257 0.000 1.046 715 I CA -0.551 60.633 61.300 -0.194 0.000 1.324 715 I CB 0.144 37.991 38.000 -0.255 0.000 1.409 715 I HN 0.417 nan 8.210 nan 0.000 0.494 716 K N 6.230 126.510 120.400 -0.199 0.000 2.268 716 K HA 0.337 4.657 4.320 0.001 0.000 0.276 716 K C -0.535 175.990 176.600 -0.125 0.000 1.080 716 K CA -0.584 55.629 56.287 -0.123 0.000 0.910 716 K CB 0.543 33.010 32.500 -0.055 0.000 1.163 716 K HN 0.463 nan 8.250 nan 0.000 0.465 717 H N 2.612 121.705 119.070 0.038 0.000 2.525 717 H HA 0.062 4.618 4.556 0.001 0.000 0.339 717 H C -1.759 173.587 175.328 0.031 0.000 1.109 717 H CA -2.218 53.865 56.048 0.057 0.000 1.352 717 H CB 1.213 31.017 29.762 0.071 0.000 1.461 717 H HN 0.374 nan 8.280 nan 0.000 0.533 718 P HA -0.138 nan 4.420 nan 0.000 0.222 718 P C 0.984 178.317 177.300 0.055 0.000 1.147 718 P CA 0.946 64.090 63.100 0.073 0.000 0.790 718 P CB 0.275 32.009 31.700 0.056 0.000 0.780 719 N N -0.789 117.949 118.700 0.063 0.000 2.459 719 N HA 0.002 4.742 4.740 0.001 0.000 0.181 719 N C 1.395 176.928 175.510 0.039 0.000 1.046 719 N CA 1.371 54.441 53.050 0.034 0.000 0.904 719 N CB -1.095 37.399 38.487 0.012 0.000 0.964 719 N HN 0.242 nan 8.380 nan 0.000 0.444 720 G N -1.718 107.117 108.800 0.059 0.000 2.211 720 G HA2 -0.221 3.739 3.960 0.001 0.000 0.201 720 G HA3 -0.221 3.739 3.960 0.001 0.000 0.201 720 G C -0.158 174.782 174.900 0.066 0.000 0.997 720 G CA 0.085 45.214 45.100 0.048 0.000 0.652 720 G HN 0.408 nan 8.290 nan 0.000 0.500 721 T N 2.862 117.477 114.554 0.102 0.000 2.751 721 T HA 0.448 4.798 4.350 0.001 0.000 0.290 721 T C 0.553 175.375 174.700 0.203 0.000 0.919 721 T CA 0.405 62.590 62.100 0.142 0.000 1.136 721 T CB 1.223 70.175 68.868 0.140 0.000 0.875 721 T HN 0.456 nan 8.240 nan 0.000 0.532 722 Q N 2.181 122.051 119.800 0.116 0.000 2.185 722 Q HA 0.502 4.843 4.340 0.001 0.000 0.225 722 Q C -0.166 175.889 176.000 0.091 0.000 0.983 722 Q CA -0.710 55.134 55.803 0.068 0.000 0.950 722 Q CB 1.107 29.863 28.738 0.030 0.000 1.176 722 Q HN 0.629 nan 8.270 nan 0.000 0.510 723 E N 0.317 120.536 120.200 0.032 0.000 2.388 723 E HA 0.193 4.543 4.350 0.001 0.000 0.289 723 E C -1.618 174.989 176.600 0.012 0.000 0.944 723 E CA -0.267 56.160 56.400 0.045 0.000 0.792 723 E CB 2.089 31.837 29.700 0.081 0.000 1.239 723 E HN 0.355 nan 8.360 nan 0.000 0.412 724 T N 3.283 117.847 114.554 0.018 0.000 2.799 724 T HA 0.575 4.925 4.350 0.001 0.000 0.286 724 T C 0.137 174.850 174.700 0.023 0.000 0.973 724 T CA -0.370 61.738 62.100 0.012 0.000 1.035 724 T CB 0.195 69.069 68.868 0.010 0.000 0.932 724 T HN 0.403 nan 8.240 nan 0.000 0.469 725 I N 0.704 121.292 120.570 0.030 0.000 3.002 725 I HA 0.687 4.857 4.170 0.001 0.000 0.310 725 I C -1.378 174.769 176.117 0.050 0.000 1.087 725 I CA -1.433 59.899 61.300 0.054 0.000 1.017 725 I CB 1.813 39.871 38.000 0.097 0.000 1.226 725 I HN 0.366 nan 8.210 nan 0.000 0.443 726 L N 3.995 125.255 121.223 0.062 0.000 2.329 726 L HA 0.573 4.914 4.340 0.001 0.000 0.279 726 L C -0.915 175.985 176.870 0.049 0.000 1.014 726 L CA -0.753 54.111 54.840 0.041 0.000 0.814 726 L CB 1.918 43.994 42.059 0.029 0.000 1.257 726 L HN 0.509 nan 8.230 nan 0.000 0.424 727 L N 3.687 124.913 121.223 0.005 0.000 2.349 727 L HA 0.449 4.790 4.340 0.001 0.000 0.278 727 L C -0.404 176.454 176.870 -0.021 0.000 0.996 727 L CA -0.667 54.157 54.840 -0.025 0.000 0.825 727 L CB 1.756 43.769 42.059 -0.077 0.000 1.243 727 L HN 0.582 nan 8.230 nan 0.000 0.412 728 N N 1.451 120.136 118.700 -0.025 0.000 2.515 728 N HA 0.401 5.142 4.740 0.001 0.000 0.279 728 N C -0.748 174.766 175.510 0.006 0.000 1.164 728 N CA -0.448 52.554 53.050 -0.080 0.000 0.982 728 N CB 1.356 39.807 38.487 -0.060 0.000 1.170 728 N HN 0.575 nan 8.380 nan 0.000 0.474 729 H N -3.719 115.405 119.070 0.090 0.000 2.768 729 H HA 0.409 4.966 4.556 0.001 0.000 0.371 729 H C 0.067 175.508 175.328 0.188 0.000 1.151 729 H CA -0.944 55.205 56.048 0.169 0.000 1.165 729 H CB 0.711 30.602 29.762 0.216 0.000 1.722 729 H HN 0.402 nan 8.280 nan 0.000 0.543 730 T N -0.202 114.566 114.554 0.357 0.000 3.273 730 T HA 0.230 4.580 4.350 0.001 0.000 0.254 730 T C -0.352 174.537 174.700 0.314 0.000 1.002 730 T CA -0.476 61.787 62.100 0.271 0.000 0.913 730 T CB -1.154 67.817 68.868 0.170 0.000 1.056 730 T HN 0.269 nan 8.240 nan 0.000 0.576 731 F N 4.202 124.225 119.950 0.122 0.000 2.484 731 F HA 0.386 4.914 4.527 0.001 0.000 0.360 731 F C 1.039 176.734 175.800 -0.175 0.000 1.101 731 F CA -1.306 56.590 58.000 -0.174 0.000 1.251 731 F CB 0.412 39.129 39.000 -0.471 0.000 1.132 731 F HN 0.351 nan 8.300 nan 0.000 0.570 732 N N 1.058 119.644 118.700 -0.189 0.000 2.604 732 N HA 0.139 4.880 4.740 0.001 0.000 0.297 732 N C 0.520 175.861 175.510 -0.282 0.000 1.266 732 N CA -0.492 52.446 53.050 -0.186 0.000 0.961 732 N CB 0.301 38.639 38.487 -0.248 0.000 1.166 732 N HN 0.418 nan 8.380 nan 0.000 0.601 733 E N -0.695 119.360 120.200 -0.242 0.000 2.347 733 E HA -0.038 4.312 4.350 0.001 0.000 0.196 733 E C 0.933 177.350 176.600 -0.304 0.000 1.008 733 E CA 0.626 56.876 56.400 -0.249 0.000 0.852 733 E CB -0.422 29.180 29.700 -0.164 0.000 0.783 733 E HN 0.669 nan 8.360 nan 0.000 0.505 734 T N 1.126 115.439 114.554 -0.401 0.000 2.708 734 T HA -0.157 4.193 4.350 0.001 0.000 0.266 734 T C 1.805 175.953 174.700 -0.920 0.000 1.037 734 T CA 1.193 62.988 62.100 -0.508 0.000 1.146 734 T CB -0.026 68.534 68.868 -0.512 0.000 0.865 734 T HN 0.273 nan 8.240 nan 0.000 0.435 735 Q N -0.031 119.107 119.800 -1.103 0.000 2.167 735 Q HA 0.083 4.423 4.340 0.001 0.000 0.202 735 Q C 2.242 178.037 176.000 -0.342 0.000 0.970 735 Q CA 0.930 55.968 55.803 -1.275 0.000 0.855 735 Q CB -0.232 27.809 28.738 -1.163 0.000 0.911 735 Q HN 0.514 nan 8.270 nan 0.000 0.438 736 I N 0.774 121.208 120.570 -0.228 0.000 2.439 736 I HA -0.183 3.988 4.170 0.001 0.000 0.251 736 I C 1.998 178.118 176.117 0.004 0.000 1.139 736 I CA 0.695 61.918 61.300 -0.128 0.000 1.438 736 I CB -0.029 37.700 38.000 -0.451 0.000 1.085 736 I HN 0.109 nan 8.210 nan 0.000 0.427 737 E N 0.180 120.338 120.200 -0.070 0.000 2.204 737 E HA -0.193 4.157 4.350 0.001 0.000 0.194 737 E C 1.887 178.604 176.600 0.195 0.000 0.989 737 E CA 0.992 57.417 56.400 0.041 0.000 0.824 737 E CB -0.087 29.620 29.700 0.011 0.000 0.756 737 E HN 0.548 nan 8.360 nan 0.000 0.477 738 W N 0.348 121.690 121.300 0.070 0.000 2.408 738 W HA -0.098 4.563 4.660 0.001 0.000 0.311 738 W C 2.197 178.777 176.519 0.102 0.000 1.190 738 W CA 0.031 57.420 57.345 0.072 0.000 1.321 738 W CB -1.554 27.942 29.460 0.059 0.000 1.143 738 W HN 0.060 nan 8.180 nan 0.000 0.501 739 F N 1.800 121.929 119.950 0.299 0.000 2.046 739 F HA -0.213 4.314 4.527 0.001 0.000 0.297 739 F C 2.449 178.288 175.800 0.065 0.000 1.123 739 F CA 2.111 60.206 58.000 0.158 0.000 1.199 739 F CB -0.674 38.394 39.000 0.113 0.000 0.972 739 F HN -0.245 nan 8.300 nan 0.000 0.474 740 R N 0.170 120.542 120.500 -0.213 0.000 2.105 740 R HA -0.156 4.184 4.340 0.001 0.000 0.239 740 R C 2.312 178.587 176.300 -0.041 0.000 1.135 740 R CA 1.311 57.310 56.100 -0.167 0.000 0.967 740 R CB -0.887 29.471 30.300 0.097 0.000 0.861 740 R HN 0.440 nan 8.270 nan 0.000 0.442 741 A N -0.604 122.222 122.820 0.011 0.000 2.067 741 A HA 0.166 4.487 4.320 0.001 0.000 0.217 741 A C 1.679 179.280 177.584 0.028 0.000 1.156 741 A CA 1.336 53.398 52.037 0.043 0.000 0.683 741 A CB 0.096 19.147 19.000 0.085 0.000 0.808 741 A HN 0.485 nan 8.150 nan 0.000 0.455 742 G N -1.943 106.856 108.800 -0.001 0.000 2.352 742 G HA2 0.021 3.982 3.960 0.001 0.000 0.204 742 G HA3 0.021 3.982 3.960 0.001 0.000 0.204 742 G C 0.286 175.258 174.900 0.121 0.000 1.004 742 G CA 0.409 45.531 45.100 0.038 0.000 0.648 742 G HN 2.071 nan 8.290 nan 0.000 0.491 743 S N -1.691 114.083 115.700 0.124 0.000 2.686 743 S HA 0.752 5.222 4.470 0.001 0.000 0.273 743 S C 0.881 175.483 174.600 0.003 0.000 1.060 743 S CA 0.636 58.899 58.200 0.105 0.000 0.845 743 S CB 0.830 64.137 63.200 0.178 0.000 1.086 743 S HN 1.818 nan 8.310 nan 0.000 0.461 744 A N 0.573 123.259 122.820 -0.223 0.000 1.908 744 A HA 0.029 4.350 4.320 0.001 0.000 0.218 744 A C 1.995 179.424 177.584 -0.258 0.000 1.181 744 A CA 1.922 53.625 52.037 -0.558 0.000 0.627 744 A CB -0.870 17.460 19.000 -1.116 0.000 0.818 744 A HN 1.140 nan 8.150 nan 0.000 0.445 745 L N 0.361 121.477 121.223 -0.178 0.000 2.093 745 L HA -0.103 4.237 4.340 0.001 0.000 0.208 745 L C 1.699 178.528 176.870 -0.069 0.000 1.085 745 L CA 1.982 56.753 54.840 -0.116 0.000 0.755 745 L CB -1.029 40.962 42.059 -0.114 0.000 0.904 745 L HN 0.325 nan 8.230 nan 0.000 0.435 746 N N -0.556 118.123 118.700 -0.034 0.000 2.188 746 N HA -0.147 4.594 4.740 0.001 0.000 0.184 746 N C 1.956 177.472 175.510 0.011 0.000 1.018 746 N CA 0.631 53.675 53.050 -0.009 0.000 0.858 746 N CB -0.332 38.168 38.487 0.021 0.000 0.989 746 N HN 0.202 nan 8.380 nan 0.000 0.426 747 R N 1.038 121.560 120.500 0.037 0.000 2.073 747 R HA -0.020 4.321 4.340 0.001 0.000 0.234 747 R C 2.036 178.364 176.300 0.047 0.000 1.134 747 R CA 0.904 57.049 56.100 0.075 0.000 0.952 747 R CB -0.684 29.720 30.300 0.173 0.000 0.850 747 R HN 0.332 nan 8.270 nan 0.000 0.433 748 M N 0.538 120.147 119.600 0.014 0.000 2.117 748 M HA -0.190 4.290 4.480 0.001 0.000 0.262 748 M C 1.750 178.043 176.300 -0.011 0.000 1.065 748 M CA 1.731 57.033 55.300 0.002 0.000 1.114 748 M CB -0.054 32.527 32.600 -0.030 0.000 1.361 748 M HN -0.032 nan 8.290 nan 0.000 0.408 749 K N 0.169 120.553 120.400 -0.026 0.000 2.097 749 K HA -0.140 4.180 4.320 0.001 0.000 0.205 749 K C 1.683 178.275 176.600 -0.013 0.000 1.050 749 K CA 1.656 57.924 56.287 -0.031 0.000 0.938 749 K CB -0.226 32.247 32.500 -0.044 0.000 0.718 749 K HN 0.576 nan 8.250 nan 0.000 0.442 750 E N 1.196 121.396 120.200 0.001 0.000 2.085 750 E HA -0.177 4.173 4.350 0.001 0.000 0.194 750 E C 2.060 178.667 176.600 0.011 0.000 0.994 750 E CA 0.930 57.335 56.400 0.008 0.000 0.801 750 E CB -0.240 29.472 29.700 0.021 0.000 0.743 750 E HN 0.220 nan 8.360 nan 0.000 0.453 751 L N 0.995 122.228 121.223 0.017 0.000 2.191 751 L HA -0.186 4.154 4.340 0.001 0.000 0.212 751 L C 1.154 178.030 176.870 0.010 0.000 1.103 751 L CA 0.852 55.703 54.840 0.018 0.000 0.769 751 L CB -0.288 41.788 42.059 0.028 0.000 0.908 751 L HN 0.109 nan 8.230 nan 0.000 0.438 752 Q N 1.489 121.289 119.800 0.001 0.000 3.223 752 Q HA -0.025 4.316 4.340 0.001 0.000 0.299 752 Q C 0.258 176.255 176.000 -0.004 0.000 1.385 752 Q CA -0.146 55.654 55.803 -0.004 0.000 0.942 752 Q CB -0.304 28.424 28.738 -0.017 0.000 1.748 752 Q HN 0.309 nan 8.270 nan 0.000 0.523 753 Q N 0.727 120.528 119.800 0.002 0.000 2.301 753 Q HA -0.312 4.028 4.340 0.001 0.000 0.332 753 Q C -0.928 175.071 176.000 -0.001 0.000 1.214 753 Q CA 1.398 57.202 55.803 0.002 0.000 1.008 753 Q CB -1.405 27.335 28.738 0.003 0.000 1.272 753 Q HN 0.515 nan 8.270 nan 0.000 0.466 754 K N 0.000 120.398 120.400 -0.003 0.000 2.780 754 K HA 0.000 4.320 4.320 0.001 0.000 0.191 754 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 754 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543