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 2x90_1_A DATA FIRST_RESID 17 DATA SEQUENCE ALVKEEIQAK EYLENLNKEL AKRTNVETEA AWAYGSNITD ENEKKKNEIS DATA SEQUENCE AELAKFMKEV ASDTTKFQWR SYQSEDLKRQ FKALTKLGYA ALPEDDYAEL DATA SEQUENCE LDTLSAMESN FAKVKVcDYK DSTKcDLALD PEIEEVISKS RDHEELAYYW DATA SEQUENCE REFYDKAGTA VRSQFERYVE LNTKAAKLNN FTSGAEAWLD EYEDDTFEQQ DATA SEQUENCE LEDIFADIRP LYQQIHGYVR FRLRKHYGDA VVSETGPIPM HLLGNMWAQQ DATA SEQUENCE WSEIADIVSP FPEKPLVDVS AEMEKQGYTP LKMFQMGDDF FTSMNLTKLP DATA SEQUENCE QDFWDKSIIE KPTDGRDLVc HASAWDFYLT DDVRIKQcTR VTQDQLFTVH DATA SEQUENCE HELGHIQYFL QYQHQPFVYR TGANPGFHEA VGDVLSLSVS TPKHLEKIGL DATA SEQUENCE LKDYVRDDEA RINQLFLTAL DKIVFLPFAF TMDKYRWSLF RGEVDKANWN DATA SEQUENCE cAFWKLRDEY SGIEPPVVRS EKDFDAPAKY HISADVEYLR YLVSFIIQFQ DATA SEQUENCE FYKSAcIKAG QYDPDNVELP LDNcDIYGSA AAGAAFHNML SMGASKPWPD DATA SEQUENCE ALEAFNGERI MSGKAIAEYF EPLRVWLEAE NIKNNVHIGW TTSNKcVS 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.603 177.584 0.032 0.000 1.274 17 A CA 0.000 52.045 52.037 0.014 0.000 0.836 17 A CB 0.000 19.006 19.000 0.010 0.000 0.831 18 L N 0.406 121.655 121.223 0.045 0.000 2.156 18 L HA -0.057 4.280 4.340 -0.005 0.000 0.208 18 L C 2.241 179.135 176.870 0.039 0.000 1.095 18 L CA 1.216 56.106 54.840 0.084 0.000 0.770 18 L CB -0.368 41.755 42.059 0.107 0.000 0.914 18 L HN 0.619 nan 8.230 nan 0.000 0.439 19 V N 0.497 120.421 119.914 0.017 0.000 2.295 19 V HA -0.308 3.809 4.120 -0.005 0.000 0.246 19 V C 3.088 179.172 176.094 -0.017 0.000 1.049 19 V CA 2.409 64.705 62.300 -0.008 0.000 1.024 19 V CB -1.022 30.801 31.823 0.001 0.000 0.648 19 V HN 0.545 nan 8.190 nan 0.000 0.447 20 K N -0.062 120.339 120.400 0.002 0.000 2.097 20 K HA -0.203 4.114 4.320 -0.005 0.000 0.205 20 K C 2.057 178.669 176.600 0.020 0.000 1.050 20 K CA 1.800 58.093 56.287 0.010 0.000 0.938 20 K CB -0.670 31.839 32.500 0.015 0.000 0.718 20 K HN 0.654 nan 8.250 nan 0.000 0.442 21 E N -0.173 120.047 120.200 0.033 0.000 2.072 21 E HA -0.197 4.150 4.350 -0.005 0.000 0.191 21 E C 2.164 178.775 176.600 0.019 0.000 0.985 21 E CA 1.123 57.577 56.400 0.091 0.000 0.801 21 E CB 0.016 29.813 29.700 0.162 0.000 0.750 21 E HN 0.720 nan 8.360 nan 0.000 0.452 22 E N 0.247 120.311 120.200 -0.225 0.000 2.110 22 E HA -0.187 4.160 4.350 -0.005 0.000 0.193 22 E C 2.083 178.553 176.600 -0.217 0.000 0.988 22 E CA 1.015 57.074 56.400 -0.569 0.000 0.804 22 E CB -0.022 29.302 29.700 -0.626 0.000 0.745 22 E HN 0.324 nan 8.360 nan 0.000 0.458 23 I N 0.758 121.275 120.570 -0.088 0.000 2.179 23 I HA -0.310 3.857 4.170 -0.005 0.000 0.242 23 I C 2.522 178.663 176.117 0.040 0.000 1.088 23 I CA 1.243 62.532 61.300 -0.017 0.000 1.357 23 I CB -0.272 37.728 38.000 -0.001 0.000 1.051 23 I HN 0.164 nan 8.210 nan 0.000 0.409 24 Q N 0.580 120.433 119.800 0.088 0.000 2.124 24 Q HA -0.176 4.161 4.340 -0.005 0.000 0.202 24 Q C 2.485 178.640 176.000 0.259 0.000 0.977 24 Q CA 1.638 57.549 55.803 0.180 0.000 0.850 24 Q CB -0.290 28.579 28.738 0.218 0.000 0.901 24 Q HN 0.589 nan 8.270 nan 0.000 0.429 25 A N 1.547 124.513 122.820 0.243 0.000 1.902 25 A HA -0.235 4.082 4.320 -0.005 0.000 0.217 25 A C 2.010 179.667 177.584 0.121 0.000 1.181 25 A CA 1.627 53.762 52.037 0.164 0.000 0.623 25 A CB -0.420 18.729 19.000 0.248 0.000 0.818 25 A HN 0.215 nan 8.150 nan 0.000 0.443 26 K N -0.214 120.227 120.400 0.067 0.000 2.057 26 K HA -0.190 4.127 4.320 -0.005 0.000 0.207 26 K C 1.893 178.502 176.600 0.014 0.000 1.049 26 K CA 1.743 58.044 56.287 0.024 0.000 0.931 26 K CB -0.164 32.341 32.500 0.009 0.000 0.714 26 K HN 0.643 nan 8.250 nan 0.000 0.440 27 E N -0.747 119.487 120.200 0.056 0.000 2.106 27 E HA -0.208 4.139 4.350 -0.005 0.000 0.192 27 E C 1.822 178.458 176.600 0.060 0.000 0.984 27 E CA 1.061 57.494 56.400 0.054 0.000 0.806 27 E CB -0.182 29.566 29.700 0.080 0.000 0.750 27 E HN 0.368 nan 8.360 nan 0.000 0.458 28 Y N 1.552 121.842 120.300 -0.017 0.000 2.128 28 Y HA -0.230 4.318 4.550 -0.005 0.000 0.284 28 Y C 1.899 177.702 175.900 -0.161 0.000 1.154 28 Y CA 1.480 59.553 58.100 -0.045 0.000 1.149 28 Y CB -0.191 38.242 38.460 -0.044 0.000 0.976 28 Y HN -0.058 nan 8.280 nan 0.000 0.505 29 L N -0.113 120.957 121.223 -0.254 0.000 2.056 29 L HA -0.195 4.142 4.340 -0.005 0.000 0.207 29 L C 2.503 179.177 176.870 -0.326 0.000 1.078 29 L CA 1.751 56.334 54.840 -0.429 0.000 0.749 29 L CB -0.568 41.248 42.059 -0.405 0.000 0.901 29 L HN 0.250 nan 8.230 nan 0.000 0.433 30 E N 0.274 120.354 120.200 -0.200 0.000 2.058 30 E HA -0.276 4.071 4.350 -0.005 0.000 0.194 30 E C 1.911 178.420 176.600 -0.151 0.000 0.997 30 E CA 1.751 58.066 56.400 -0.142 0.000 0.801 30 E CB 0.020 29.674 29.700 -0.076 0.000 0.746 30 E HN 0.354 nan 8.360 nan 0.000 0.450 31 N N -0.339 118.263 118.700 -0.162 0.000 2.142 31 N HA -0.158 4.579 4.740 -0.005 0.000 0.186 31 N C 1.722 177.105 175.510 -0.213 0.000 1.023 31 N CA 0.714 53.672 53.050 -0.153 0.000 0.852 31 N CB -0.089 38.331 38.487 -0.112 0.000 0.998 31 N HN 0.088 nan 8.380 nan 0.000 0.424 32 L N 0.969 121.983 121.223 -0.349 0.000 2.046 32 L HA -0.064 4.273 4.340 -0.005 0.000 0.208 32 L C 1.675 178.385 176.870 -0.267 0.000 1.077 32 L CA 1.640 56.264 54.840 -0.360 0.000 0.747 32 L CB -0.981 40.693 42.059 -0.642 0.000 0.896 32 L HN 0.260 nan 8.230 nan 0.000 0.432 33 N N 0.075 118.622 118.700 -0.256 0.000 2.069 33 N HA -0.211 4.526 4.740 -0.005 0.000 0.191 33 N C 1.758 177.162 175.510 -0.176 0.000 1.031 33 N CA 1.672 54.620 53.050 -0.171 0.000 0.852 33 N CB -0.146 38.259 38.487 -0.136 0.000 1.018 33 N HN 0.481 nan 8.380 nan 0.000 0.423 34 K N 0.932 121.242 120.400 -0.150 0.000 2.097 34 K HA -0.154 4.163 4.320 -0.005 0.000 0.206 34 K C 1.925 178.412 176.600 -0.188 0.000 1.049 34 K CA 0.941 57.151 56.287 -0.128 0.000 0.933 34 K CB -0.101 32.346 32.500 -0.088 0.000 0.717 34 K HN 0.322 nan 8.250 nan 0.000 0.442 35 E N 1.344 121.420 120.200 -0.207 0.000 2.072 35 E HA -0.157 4.190 4.350 -0.005 0.000 0.191 35 E C 1.970 178.349 176.600 -0.368 0.000 0.985 35 E CA 0.757 57.010 56.400 -0.246 0.000 0.801 35 E CB 0.009 29.602 29.700 -0.179 0.000 0.750 35 E HN 0.196 nan 8.360 nan 0.000 0.452 36 L N 0.306 121.266 121.223 -0.439 0.000 2.093 36 L HA -0.121 4.215 4.340 -0.005 0.000 0.208 36 L C 2.650 178.828 176.870 -1.153 0.000 1.085 36 L CA 0.961 55.354 54.840 -0.745 0.000 0.755 36 L CB -0.453 41.097 42.059 -0.849 0.000 0.904 36 L HN 0.252 nan 8.230 nan 0.000 0.435 37 A N 0.051 122.272 122.820 -0.998 0.000 1.902 37 A HA -0.266 4.051 4.320 -0.005 0.000 0.217 37 A C 2.296 179.715 177.584 -0.275 0.000 1.181 37 A CA 2.050 53.742 52.037 -0.575 0.000 0.623 37 A CB -0.390 18.558 19.000 -0.088 0.000 0.818 37 A HN 0.203 nan 8.150 nan 0.000 0.443 38 K N -0.066 120.188 120.400 -0.243 0.000 2.057 38 K HA -0.037 4.280 4.320 -0.005 0.000 0.206 38 K C 2.136 178.635 176.600 -0.169 0.000 1.050 38 K CA 1.523 57.720 56.287 -0.150 0.000 0.935 38 K CB -0.262 32.149 32.500 -0.147 0.000 0.715 38 K HN 0.470 nan 8.250 nan 0.000 0.439 39 R N -0.879 119.454 120.500 -0.277 0.000 2.115 39 R HA -0.027 4.310 4.340 -0.005 0.000 0.230 39 R C 2.003 178.202 176.300 -0.169 0.000 1.111 39 R CA 1.712 57.656 56.100 -0.259 0.000 0.976 39 R CB -0.272 29.789 30.300 -0.399 0.000 0.870 39 R HN 0.206 nan 8.270 nan 0.000 0.445 40 T N 0.864 115.284 114.554 -0.223 0.000 2.904 40 T HA -0.109 4.238 4.350 -0.005 0.000 0.267 40 T C 1.531 176.287 174.700 0.093 0.000 1.059 40 T CA 0.911 62.947 62.100 -0.106 0.000 1.137 40 T CB -0.295 68.408 68.868 -0.276 0.000 0.879 40 T HN 0.358 nan 8.240 nan 0.000 0.467 41 N N 1.405 120.177 118.700 0.120 0.000 2.061 41 N HA -0.149 4.588 4.740 -0.005 0.000 0.193 41 N C 1.840 177.468 175.510 0.196 0.000 1.030 41 N CA 1.511 54.697 53.050 0.226 0.000 0.856 41 N CB -0.266 38.322 38.487 0.168 0.000 1.023 41 N HN 0.225 nan 8.380 nan 0.000 0.424 42 V N 1.475 121.448 119.914 0.098 0.000 2.343 42 V HA -0.167 3.950 4.120 -0.005 0.000 0.247 42 V C 2.536 178.704 176.094 0.125 0.000 1.051 42 V CA 1.925 64.278 62.300 0.087 0.000 1.036 42 V CB -0.708 31.127 31.823 0.021 0.000 0.654 42 V HN 0.425 nan 8.190 nan 0.000 0.451 43 E N 0.123 120.391 120.200 0.114 0.000 2.077 43 E HA -0.216 4.131 4.350 -0.005 0.000 0.193 43 E C 2.212 178.944 176.600 0.221 0.000 0.989 43 E CA 1.876 58.362 56.400 0.143 0.000 0.800 43 E CB -0.084 29.686 29.700 0.116 0.000 0.746 43 E HN 0.645 nan 8.360 nan 0.000 0.452 44 T N 1.334 116.037 114.554 0.248 0.000 2.777 44 T HA -0.114 4.233 4.350 -0.005 0.000 0.266 44 T C 1.575 176.548 174.700 0.454 0.000 1.040 44 T CA 1.013 63.296 62.100 0.306 0.000 1.141 44 T CB -0.131 68.799 68.868 0.103 0.000 0.868 44 T HN 0.168 nan 8.240 nan 0.000 0.444 45 E N 1.336 121.807 120.200 0.452 0.000 2.077 45 E HA -0.082 4.265 4.350 -0.005 0.000 0.193 45 E C 2.592 179.402 176.600 0.349 0.000 0.989 45 E CA 1.232 57.891 56.400 0.431 0.000 0.800 45 E CB -0.421 29.422 29.700 0.239 0.000 0.746 45 E HN 0.522 nan 8.360 nan 0.000 0.452 46 A N 1.345 124.327 122.820 0.270 0.000 1.930 46 A HA -0.047 4.269 4.320 -0.005 0.000 0.217 46 A C 2.399 180.149 177.584 0.276 0.000 1.175 46 A CA 1.875 54.047 52.037 0.224 0.000 0.627 46 A CB -0.451 18.644 19.000 0.158 0.000 0.815 46 A HN 0.265 nan 8.150 nan 0.000 0.443 47 A N -1.145 121.887 122.820 0.353 0.000 1.930 47 A HA -0.149 4.168 4.320 -0.005 0.000 0.217 47 A C 2.084 179.922 177.584 0.424 0.000 1.175 47 A CA 1.299 53.611 52.037 0.459 0.000 0.627 47 A CB -0.863 18.476 19.000 0.564 0.000 0.815 47 A HN 0.872 nan 8.150 nan 0.000 0.443 48 W N 0.986 122.296 121.300 0.017 0.000 2.355 48 W HA -0.193 4.466 4.660 -0.003 0.000 0.309 48 W C 2.163 178.574 176.519 -0.180 0.000 1.206 48 W CA 2.149 59.202 57.345 -0.487 0.000 1.284 48 W CB -0.447 28.799 29.460 -0.356 0.000 1.145 48 W HN 0.409 nan 8.180 nan 0.000 0.502 49 A N -0.159 122.737 122.820 0.127 0.000 1.902 49 A HA -0.276 4.041 4.320 -0.005 0.000 0.217 49 A C 1.866 179.456 177.584 0.011 0.000 1.181 49 A CA 1.752 53.822 52.037 0.054 0.000 0.623 49 A CB -1.623 17.473 19.000 0.159 0.000 0.818 49 A HN 0.512 nan 8.150 nan 0.000 0.443 50 Y N 0.709 120.997 120.300 -0.020 0.000 2.163 50 Y HA 0.014 4.561 4.550 -0.005 0.000 0.288 50 Y C 2.457 178.332 175.900 -0.041 0.000 1.136 50 Y CA 1.339 59.438 58.100 -0.002 0.000 1.147 50 Y CB -0.846 37.651 38.460 0.062 0.000 0.987 50 Y HN 0.210 nan 8.280 nan 0.000 0.509 51 G N -1.343 107.377 108.800 -0.133 0.000 2.432 51 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.219 51 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.219 51 G C 1.692 176.373 174.900 -0.366 0.000 1.135 51 G CA 1.062 46.030 45.100 -0.221 0.000 0.767 51 G HN 0.436 nan 8.290 nan 0.000 0.550 52 S N -0.293 115.095 115.700 -0.520 0.000 2.496 52 S HA 0.070 4.537 4.470 -0.005 0.000 0.224 52 S C 0.645 175.064 174.600 -0.302 0.000 0.996 52 S CA 0.237 58.119 58.200 -0.529 0.000 0.927 52 S CB 0.112 62.854 63.200 -0.764 0.000 0.774 52 S HN 0.421 nan 8.310 nan 0.000 0.524 53 N N 0.679 119.229 118.700 -0.250 0.000 2.969 53 N HA 0.203 4.940 4.740 -0.005 0.000 0.230 53 N C -1.594 173.828 175.510 -0.146 0.000 1.397 53 N CA -0.102 52.856 53.050 -0.153 0.000 0.762 53 N CB 0.095 38.528 38.487 -0.090 0.000 1.495 53 N HN 0.022 nan 8.380 nan 0.000 0.583 54 I N 2.533 122.978 120.570 -0.207 0.000 2.421 54 I HA 0.198 4.365 4.170 -0.005 0.000 0.291 54 I C 0.477 176.593 176.117 -0.001 0.000 1.089 54 I CA 0.221 61.375 61.300 -0.244 0.000 1.354 54 I CB 0.342 38.159 38.000 -0.305 0.000 1.413 54 I HN 0.494 nan 8.210 nan 0.000 0.513 55 T N -0.081 114.562 114.554 0.149 0.000 2.883 55 T HA 0.282 4.629 4.350 -0.005 0.000 0.301 55 T C 0.395 175.210 174.700 0.193 0.000 1.158 55 T CA -0.855 61.328 62.100 0.139 0.000 1.007 55 T CB 2.016 70.939 68.868 0.092 0.000 1.186 55 T HN 0.332 nan 8.240 nan 0.000 0.499 56 D N 0.327 120.798 120.400 0.119 0.000 2.182 56 D HA -0.096 4.541 4.640 -0.005 0.000 0.201 56 D C 1.666 178.003 176.300 0.062 0.000 0.986 56 D CA 1.382 55.434 54.000 0.086 0.000 0.847 56 D CB 0.050 40.884 40.800 0.056 0.000 0.942 56 D HN 0.831 nan 8.370 nan 0.000 0.467 57 E N 0.121 120.361 120.200 0.067 0.000 2.047 57 E HA -0.142 4.205 4.350 -0.005 0.000 0.191 57 E C 1.622 178.257 176.600 0.059 0.000 0.987 57 E CA 0.695 57.126 56.400 0.052 0.000 0.799 57 E CB 0.171 29.901 29.700 0.049 0.000 0.752 57 E HN 0.092 nan 8.360 nan 0.000 0.449 58 N N 0.870 119.636 118.700 0.111 0.000 2.244 58 N HA -0.170 4.567 4.740 -0.005 0.000 0.183 58 N C 1.639 177.166 175.510 0.029 0.000 1.016 58 N CA 0.869 54.008 53.050 0.149 0.000 0.866 58 N CB -0.199 38.452 38.487 0.274 0.000 0.980 58 N HN 0.353 nan 8.380 nan 0.000 0.430 59 E N 1.335 121.485 120.200 -0.084 0.000 2.031 59 E HA -0.195 4.152 4.350 -0.005 0.000 0.193 59 E C 1.855 178.305 176.600 -0.249 0.000 0.994 59 E CA 1.138 57.242 56.400 -0.493 0.000 0.800 59 E CB 0.056 29.583 29.700 -0.287 0.000 0.752 59 E HN 0.190 nan 8.360 nan 0.000 0.447 60 K N 0.539 120.878 120.400 -0.102 0.000 2.032 60 K HA -0.205 4.112 4.320 -0.005 0.000 0.209 60 K C 2.161 178.739 176.600 -0.036 0.000 1.048 60 K CA 1.802 58.057 56.287 -0.054 0.000 0.927 60 K CB 0.052 32.542 32.500 -0.016 0.000 0.712 60 K HN 0.002 nan 8.250 nan 0.000 0.441 61 K N 0.567 120.957 120.400 -0.017 0.000 2.026 61 K HA -0.178 4.139 4.320 -0.005 0.000 0.208 61 K C 2.230 178.838 176.600 0.012 0.000 1.048 61 K CA 1.456 57.750 56.287 0.012 0.000 0.929 61 K CB -0.129 32.395 32.500 0.039 0.000 0.713 61 K HN 0.116 nan 8.250 nan 0.000 0.439 62 K N 1.067 121.455 120.400 -0.020 0.000 2.009 62 K HA -0.185 4.132 4.320 -0.005 0.000 0.210 62 K C 1.718 178.314 176.600 -0.007 0.000 1.049 62 K CA 1.731 58.015 56.287 -0.005 0.000 0.929 62 K CB -0.029 32.419 32.500 -0.087 0.000 0.714 62 K HN 0.053 nan 8.250 nan 0.000 0.440 63 N N 1.034 119.696 118.700 -0.063 0.000 2.244 63 N HA -0.114 4.623 4.740 -0.005 0.000 0.183 63 N C 1.508 177.031 175.510 0.021 0.000 1.016 63 N CA 1.109 54.134 53.050 -0.041 0.000 0.866 63 N CB -0.057 38.375 38.487 -0.093 0.000 0.980 63 N HN 0.368 nan 8.380 nan 0.000 0.430 64 E N 0.191 120.402 120.200 0.019 0.000 2.107 64 E HA -0.040 4.307 4.350 -0.005 0.000 0.191 64 E C 1.626 178.263 176.600 0.062 0.000 0.982 64 E CA 0.479 56.904 56.400 0.042 0.000 0.809 64 E CB 0.098 29.814 29.700 0.026 0.000 0.756 64 E HN 0.234 nan 8.360 nan 0.000 0.459 65 I N 0.913 121.519 120.570 0.060 0.000 2.315 65 I HA -0.186 3.981 4.170 -0.005 0.000 0.248 65 I C 2.261 178.435 176.117 0.095 0.000 1.117 65 I CA 1.104 62.444 61.300 0.067 0.000 1.404 65 I CB -1.187 36.854 38.000 0.068 0.000 1.071 65 I HN -0.034 nan 8.210 nan 0.000 0.419 66 S N 1.133 116.911 115.700 0.130 0.000 2.368 66 S HA -0.084 4.383 4.470 -0.005 0.000 0.225 66 S C 2.266 177.048 174.600 0.303 0.000 1.030 66 S CA 1.280 59.606 58.200 0.210 0.000 0.999 66 S CB -0.255 63.080 63.200 0.225 0.000 0.844 66 S HN 0.548 nan 8.310 nan 0.000 0.459 67 A N 1.283 124.284 122.820 0.302 0.000 1.933 67 A HA -0.166 4.151 4.320 -0.005 0.000 0.218 67 A C 2.016 179.669 177.584 0.115 0.000 1.175 67 A CA 1.748 53.961 52.037 0.293 0.000 0.628 67 A CB -0.571 18.565 19.000 0.227 0.000 0.814 67 A HN 0.597 nan 8.150 nan 0.000 0.444 68 E N -0.706 119.549 120.200 0.091 0.000 2.072 68 E HA -0.188 4.159 4.350 -0.005 0.000 0.191 68 E C 1.896 178.528 176.600 0.053 0.000 0.985 68 E CA 1.287 57.720 56.400 0.055 0.000 0.801 68 E CB -0.181 29.541 29.700 0.037 0.000 0.750 68 E HN 0.449 nan 8.360 nan 0.000 0.452 69 L N 0.729 121.983 121.223 0.052 0.000 2.093 69 L HA -0.046 4.291 4.340 -0.005 0.000 0.208 69 L C 2.199 179.098 176.870 0.048 0.000 1.085 69 L CA 2.047 56.920 54.840 0.055 0.000 0.755 69 L CB -0.682 41.401 42.059 0.041 0.000 0.904 69 L HN 0.168 nan 8.230 nan 0.000 0.435 70 A N -0.574 122.214 122.820 -0.053 0.000 1.908 70 A HA -0.285 4.032 4.320 -0.005 0.000 0.218 70 A C 2.466 179.959 177.584 -0.151 0.000 1.181 70 A CA 2.057 53.947 52.037 -0.245 0.000 0.627 70 A CB -0.640 17.886 19.000 -0.790 0.000 0.818 70 A HN 0.492 nan 8.150 nan 0.000 0.445 71 K N -1.674 118.684 120.400 -0.070 0.000 2.063 71 K HA -0.172 4.145 4.320 -0.005 0.000 0.208 71 K C 1.785 178.401 176.600 0.028 0.000 1.048 71 K CA 1.707 57.983 56.287 -0.019 0.000 0.928 71 K CB -0.314 32.199 32.500 0.021 0.000 0.713 71 K HN 0.444 nan 8.250 nan 0.000 0.442 72 F N 1.119 121.028 119.950 -0.068 0.000 2.186 72 F HA -0.205 4.319 4.527 -0.005 0.000 0.299 72 F C 1.957 177.720 175.800 -0.062 0.000 1.090 72 F CA 1.212 59.176 58.000 -0.060 0.000 1.307 72 F CB -0.044 38.914 39.000 -0.071 0.000 1.019 72 F HN 0.010 nan 8.300 nan 0.000 0.489 73 M N 0.396 119.955 119.600 -0.068 0.000 2.117 73 M HA -0.198 4.279 4.480 -0.005 0.000 0.262 73 M C 2.118 178.315 176.300 -0.172 0.000 1.065 73 M CA 1.484 56.697 55.300 -0.144 0.000 1.114 73 M CB -1.335 31.229 32.600 -0.060 0.000 1.361 73 M HN 0.131 nan 8.290 nan 0.000 0.408 74 K N -0.020 120.300 120.400 -0.134 0.000 2.032 74 K HA -0.215 4.102 4.320 -0.005 0.000 0.209 74 K C 2.054 178.582 176.600 -0.119 0.000 1.048 74 K CA 1.577 57.801 56.287 -0.105 0.000 0.927 74 K CB -0.189 32.261 32.500 -0.083 0.000 0.712 74 K HN 0.413 nan 8.250 nan 0.000 0.441 75 E N 0.431 120.527 120.200 -0.172 0.000 2.077 75 E HA -0.167 4.180 4.350 -0.005 0.000 0.193 75 E C 1.941 178.419 176.600 -0.205 0.000 0.989 75 E CA 1.008 57.301 56.400 -0.179 0.000 0.800 75 E CB 0.193 29.767 29.700 -0.209 0.000 0.746 75 E HN 0.035 nan 8.360 nan 0.000 0.452 76 V N 1.267 120.971 119.914 -0.349 0.000 2.255 76 V HA -0.302 3.815 4.120 -0.005 0.000 0.247 76 V C 2.470 178.528 176.094 -0.059 0.000 1.051 76 V CA 1.966 64.119 62.300 -0.245 0.000 1.018 76 V CB -0.860 30.748 31.823 -0.359 0.000 0.641 76 V HN 0.427 nan 8.190 nan 0.000 0.445 77 A N -0.693 122.086 122.820 -0.069 0.000 1.908 77 A HA -0.262 4.055 4.320 -0.005 0.000 0.218 77 A C 2.567 180.171 177.584 0.033 0.000 1.181 77 A CA 2.362 54.397 52.037 -0.004 0.000 0.627 77 A CB -0.835 18.153 19.000 -0.020 0.000 0.818 77 A HN 0.510 nan 8.150 nan 0.000 0.445 78 S N -0.270 115.431 115.700 0.001 0.000 2.368 78 S HA -0.187 4.280 4.470 -0.005 0.000 0.225 78 S C 1.552 176.177 174.600 0.042 0.000 1.030 78 S CA 1.747 59.954 58.200 0.012 0.000 0.999 78 S CB -0.511 62.680 63.200 -0.015 0.000 0.844 78 S HN 0.553 nan 8.310 nan 0.000 0.459 79 D N 0.693 121.129 120.400 0.061 0.000 2.264 79 D HA -0.029 4.608 4.640 -0.005 0.000 0.208 79 D C 2.211 178.644 176.300 0.221 0.000 0.966 79 D CA 1.496 55.562 54.000 0.111 0.000 0.864 79 D CB -0.659 40.238 40.800 0.162 0.000 0.933 79 D HN 0.714 nan 8.370 nan 0.000 0.499 80 T N -1.820 112.897 114.554 0.272 0.000 2.915 80 T HA -0.157 4.190 4.350 -0.005 0.000 0.269 80 T C 1.964 176.881 174.700 0.361 0.000 1.071 80 T CA 1.714 64.069 62.100 0.424 0.000 1.132 80 T CB -0.722 68.362 68.868 0.360 0.000 0.878 80 T HN 0.179 nan 8.240 nan 0.000 0.479 81 T N -0.345 114.326 114.554 0.195 0.000 3.035 81 T HA 0.099 4.446 4.350 -0.005 0.000 0.268 81 T C 1.720 176.415 174.700 -0.009 0.000 1.109 81 T CA 0.555 62.707 62.100 0.086 0.000 1.119 81 T CB -0.440 68.446 68.868 0.031 0.000 0.900 81 T HN 0.463 nan 8.240 nan 0.000 0.503 82 K N -0.045 120.327 120.400 -0.046 0.000 2.432 82 K HA 0.210 4.527 4.320 -0.005 0.000 0.196 82 K C -0.391 175.958 176.600 -0.417 0.000 1.038 82 K CA 0.333 56.469 56.287 -0.251 0.000 0.986 82 K CB -0.012 32.272 32.500 -0.360 0.000 0.782 82 K HN 0.396 nan 8.250 nan 0.000 0.485 83 F N 1.207 121.092 119.950 -0.108 0.000 2.436 83 F HA 0.188 4.712 4.527 -0.004 0.000 0.340 83 F C 0.707 176.333 175.800 -0.290 0.000 1.113 83 F CA -1.006 56.895 58.000 -0.165 0.000 1.022 83 F CB 1.419 40.247 39.000 -0.287 0.000 1.128 83 F HN -0.225 nan 8.300 nan 0.000 0.466 84 Q N 4.849 124.557 119.800 -0.153 0.000 2.903 84 Q HA -0.047 4.290 4.340 -0.005 0.000 0.295 84 Q C 1.335 176.828 176.000 -0.845 0.000 1.157 84 Q CA -0.086 55.493 55.803 -0.373 0.000 0.930 84 Q CB -0.354 28.274 28.738 -0.183 0.000 1.571 84 Q HN 0.910 nan 8.270 nan 0.000 0.440 85 W N -0.076 120.625 121.300 -0.999 0.000 2.374 85 W HA -0.134 4.524 4.660 -0.004 0.000 0.288 85 W C 0.748 176.780 176.519 -0.811 0.000 1.218 85 W CA 0.260 56.745 57.345 -1.433 0.000 1.245 85 W CB -0.486 28.202 29.460 -1.286 0.000 1.126 85 W HN 0.238 nan 8.180 nan 0.000 0.545 86 R N 0.847 120.730 120.500 -1.029 0.000 2.241 86 R HA -0.061 4.276 4.340 -0.005 0.000 0.224 86 R C 2.150 178.239 176.300 -0.352 0.000 1.101 86 R CA 1.479 57.150 56.100 -0.715 0.000 0.995 86 R CB -0.237 29.534 30.300 -0.882 0.000 0.870 86 R HN 0.076 nan 8.270 nan 0.000 0.463 87 S N -0.446 115.037 115.700 -0.361 0.000 2.548 87 S HA 0.079 4.546 4.470 -0.005 0.000 0.215 87 S C -0.146 174.502 174.600 0.081 0.000 0.976 87 S CA 0.008 58.128 58.200 -0.134 0.000 0.908 87 S CB 0.072 63.204 63.200 -0.113 0.000 0.781 87 S HN 0.130 nan 8.310 nan 0.000 0.519 88 Y N 2.570 122.879 120.300 0.015 0.000 2.357 88 Y HA 0.211 4.758 4.550 -0.005 0.000 0.340 88 Y C 1.747 177.681 175.900 0.057 0.000 1.260 88 Y CA -1.304 56.830 58.100 0.055 0.000 1.425 88 Y CB 0.296 38.820 38.460 0.106 0.000 1.326 88 Y HN 0.055 nan 8.280 nan 0.000 0.580 89 Q N 0.527 120.457 119.800 0.217 0.000 2.137 89 Q HA -0.054 4.283 4.340 -0.005 0.000 0.198 89 Q C 0.686 176.764 176.000 0.128 0.000 0.960 89 Q CA 0.595 56.474 55.803 0.127 0.000 0.847 89 Q CB -0.131 28.652 28.738 0.075 0.000 0.915 89 Q HN 0.541 nan 8.270 nan 0.000 0.448 90 S N 1.504 117.294 115.700 0.150 0.000 2.455 90 S HA 0.025 4.492 4.470 -0.005 0.000 0.278 90 S C 1.052 175.756 174.600 0.174 0.000 1.216 90 S CA -0.364 57.917 58.200 0.136 0.000 1.055 90 S CB 0.579 63.849 63.200 0.116 0.000 0.939 90 S HN 0.059 nan 8.310 nan 0.000 0.494 91 E N 3.723 124.002 120.200 0.132 0.000 2.118 91 E HA -0.162 4.185 4.350 -0.005 0.000 0.195 91 E C 1.310 177.999 176.600 0.149 0.000 0.992 91 E CA 1.263 57.742 56.400 0.131 0.000 0.804 91 E CB -0.188 29.562 29.700 0.084 0.000 0.741 91 E HN 0.864 nan 8.360 nan 0.000 0.458 92 D N 0.515 121.000 120.400 0.141 0.000 2.097 92 D HA -0.106 4.531 4.640 -0.005 0.000 0.195 92 D C 2.148 178.562 176.300 0.190 0.000 0.989 92 D CA 0.834 54.937 54.000 0.172 0.000 0.827 92 D CB -0.110 40.779 40.800 0.148 0.000 0.966 92 D HN 0.082 nan 8.370 nan 0.000 0.456 93 L N 0.020 121.360 121.223 0.194 0.000 2.046 93 L HA -0.135 4.202 4.340 -0.005 0.000 0.208 93 L C 2.563 179.649 176.870 0.360 0.000 1.077 93 L CA 1.144 56.137 54.840 0.255 0.000 0.747 93 L CB -0.445 41.810 42.059 0.326 0.000 0.896 93 L HN 0.041 nan 8.230 nan 0.000 0.432 94 K N -0.115 120.506 120.400 0.369 0.000 2.057 94 K HA -0.221 4.096 4.320 -0.005 0.000 0.207 94 K C 2.258 178.958 176.600 0.167 0.000 1.049 94 K CA 1.295 57.810 56.287 0.381 0.000 0.931 94 K CB -0.203 32.534 32.500 0.395 0.000 0.714 94 K HN 0.200 nan 8.250 nan 0.000 0.440 95 R N 1.476 122.068 120.500 0.153 0.000 2.081 95 R HA -0.156 4.181 4.340 -0.005 0.000 0.235 95 R C 2.183 178.491 176.300 0.013 0.000 1.131 95 R CA 1.513 57.678 56.100 0.109 0.000 0.960 95 R CB 0.046 30.454 30.300 0.179 0.000 0.856 95 R HN 0.268 nan 8.270 nan 0.000 0.436 96 Q N -0.732 119.038 119.800 -0.051 0.000 2.050 96 Q HA -0.168 4.169 4.340 -0.005 0.000 0.202 96 Q C 1.969 177.734 176.000 -0.391 0.000 0.980 96 Q CA 1.674 57.293 55.803 -0.306 0.000 0.840 96 Q CB -0.133 28.349 28.738 -0.425 0.000 0.898 96 Q HN 0.299 nan 8.270 nan 0.000 0.424 97 F N 1.237 120.920 119.950 -0.444 0.000 2.134 97 F HA -0.189 4.335 4.527 -0.004 0.000 0.299 97 F C 2.411 177.632 175.800 -0.965 0.000 1.097 97 F CA 1.346 58.883 58.000 -0.771 0.000 1.264 97 F CB -0.121 38.190 39.000 -1.149 0.000 1.001 97 F HN -0.034 nan 8.300 nan 0.000 0.479 98 K N 0.152 120.092 120.400 -0.766 0.000 2.063 98 K HA -0.192 4.125 4.320 -0.005 0.000 0.208 98 K C 2.272 178.737 176.600 -0.225 0.000 1.048 98 K CA 1.207 57.195 56.287 -0.498 0.000 0.928 98 K CB -0.345 32.042 32.500 -0.189 0.000 0.713 98 K HN 0.212 nan 8.250 nan 0.000 0.442 99 A N 1.092 123.796 122.820 -0.193 0.000 1.940 99 A HA -0.159 4.158 4.320 -0.005 0.000 0.219 99 A C 2.044 179.542 177.584 -0.143 0.000 1.176 99 A CA 1.409 53.362 52.037 -0.140 0.000 0.631 99 A CB -0.594 18.315 19.000 -0.152 0.000 0.814 99 A HN 0.317 nan 8.150 nan 0.000 0.446 100 L N -0.121 120.984 121.223 -0.197 0.000 2.217 100 L HA -0.114 4.223 4.340 -0.005 0.000 0.211 100 L C 2.832 179.648 176.870 -0.090 0.000 1.107 100 L CA 1.548 56.296 54.840 -0.153 0.000 0.783 100 L CB -0.731 41.205 42.059 -0.204 0.000 0.919 100 L HN 0.650 nan 8.230 nan 0.000 0.442 101 T N -3.100 111.402 114.554 -0.087 0.000 3.035 101 T HA -0.118 4.229 4.350 -0.005 0.000 0.268 101 T C 0.972 175.674 174.700 0.004 0.000 1.109 101 T CA 0.385 62.479 62.100 -0.009 0.000 1.119 101 T CB -0.264 68.637 68.868 0.054 0.000 0.900 101 T HN 0.136 nan 8.240 nan 0.000 0.503 102 K N 1.419 121.817 120.400 -0.003 0.000 2.171 102 K HA 0.368 4.685 4.320 -0.005 0.000 0.274 102 K C 0.656 177.268 176.600 0.020 0.000 1.110 102 K CA -0.262 56.047 56.287 0.037 0.000 0.952 102 K CB 0.494 33.026 32.500 0.052 0.000 1.309 102 K HN 0.270 nan 8.250 nan 0.000 0.414 103 L N 1.677 122.916 121.223 0.027 0.000 2.179 103 L HA -0.048 4.289 4.340 -0.005 0.000 0.208 103 L C 1.457 178.338 176.870 0.018 0.000 1.096 103 L CA 0.884 55.729 54.840 0.009 0.000 0.779 103 L CB -0.573 41.488 42.059 0.003 0.000 0.922 103 L HN 1.025 nan 8.230 nan 0.000 0.443 104 G N -0.310 108.514 108.800 0.040 0.000 2.611 104 G HA2 -0.405 3.552 3.960 -0.005 0.000 0.301 104 G HA3 -0.405 3.552 3.960 -0.005 0.000 0.301 104 G C 0.404 175.375 174.900 0.119 0.000 1.233 104 G CA 0.646 45.744 45.100 -0.002 0.000 0.993 104 G HN 0.085 nan 8.290 nan 0.000 0.553 105 Y N 0.966 121.333 120.300 0.110 0.000 2.333 105 Y HA 0.150 4.698 4.550 -0.005 0.000 0.290 105 Y C 3.274 179.266 175.900 0.153 0.000 1.144 105 Y CA 1.497 59.712 58.100 0.191 0.000 1.228 105 Y CB -1.251 37.407 38.460 0.329 0.000 0.985 105 Y HN 0.720 nan 8.280 nan 0.000 0.542 106 A N -0.151 122.739 122.820 0.116 0.000 2.225 106 A HA 0.060 4.377 4.320 -0.005 0.000 0.215 106 A C 2.380 179.900 177.584 -0.106 0.000 1.164 106 A CA 1.149 53.062 52.037 -0.207 0.000 0.710 106 A CB -0.848 18.041 19.000 -0.185 0.000 0.780 106 A HN 0.339 nan 8.150 nan 0.000 0.473 107 A N -0.560 122.267 122.820 0.012 0.000 2.119 107 A HA 0.312 4.629 4.320 -0.005 0.000 0.216 107 A C 1.001 178.599 177.584 0.024 0.000 1.152 107 A CA 0.020 52.065 52.037 0.014 0.000 0.708 107 A CB -0.330 18.693 19.000 0.039 0.000 0.805 107 A HN 0.457 nan 8.150 nan 0.000 0.460 108 L N 0.730 121.993 121.223 0.066 0.000 2.461 108 L HA 0.160 4.497 4.340 -0.005 0.000 0.272 108 L C -2.097 174.804 176.870 0.053 0.000 1.197 108 L CA -1.785 53.103 54.840 0.081 0.000 0.836 108 L CB 0.203 42.357 42.059 0.159 0.000 1.105 108 L HN 0.062 nan 8.230 nan 0.000 0.477 109 P HA -0.069 nan 4.420 nan 0.000 0.267 109 P C 0.438 177.778 177.300 0.065 0.000 1.201 109 P CA 0.009 63.130 63.100 0.035 0.000 0.775 109 P CB 0.495 32.210 31.700 0.026 0.000 0.854 110 E N 1.522 121.752 120.200 0.051 0.000 2.086 110 E HA -0.338 4.009 4.350 -0.005 0.000 0.205 110 E C 0.875 177.536 176.600 0.102 0.000 1.027 110 E CA 1.944 58.389 56.400 0.076 0.000 0.830 110 E CB -0.143 29.585 29.700 0.047 0.000 0.751 110 E HN 0.400 nan 8.360 nan 0.000 0.456 111 D N 0.363 120.801 120.400 0.063 0.000 2.117 111 D HA -0.135 4.502 4.640 -0.005 0.000 0.198 111 D C 1.609 177.935 176.300 0.043 0.000 0.982 111 D CA 1.049 55.076 54.000 0.046 0.000 0.828 111 D CB -0.386 40.429 40.800 0.025 0.000 0.967 111 D HN 0.248 nan 8.370 nan 0.000 0.464 112 D N -0.497 119.933 120.400 0.049 0.000 2.144 112 D HA -0.157 4.480 4.640 -0.005 0.000 0.200 112 D C 1.909 178.235 176.300 0.043 0.000 0.978 112 D CA 0.568 54.586 54.000 0.031 0.000 0.833 112 D CB -0.354 40.462 40.800 0.028 0.000 0.961 112 D HN 0.268 nan 8.370 nan 0.000 0.470 113 Y N 1.653 121.939 120.300 -0.022 0.000 2.181 113 Y HA -0.147 4.399 4.550 -0.005 0.000 0.288 113 Y C 2.272 178.161 175.900 -0.018 0.000 1.146 113 Y CA 1.529 59.619 58.100 -0.017 0.000 1.164 113 Y CB -0.330 38.140 38.460 0.016 0.000 0.982 113 Y HN -0.057 nan 8.280 nan 0.000 0.515 114 A N -0.036 122.799 122.820 0.024 0.000 1.902 114 A HA -0.235 4.082 4.320 -0.005 0.000 0.217 114 A C 2.236 179.757 177.584 -0.104 0.000 1.181 114 A CA 1.857 53.866 52.037 -0.047 0.000 0.623 114 A CB -0.864 18.151 19.000 0.024 0.000 0.818 114 A HN 0.629 nan 8.150 nan 0.000 0.443 115 E N -0.664 119.490 120.200 -0.075 0.000 2.106 115 E HA -0.188 4.159 4.350 -0.005 0.000 0.192 115 E C 1.900 178.430 176.600 -0.116 0.000 0.984 115 E CA 1.245 57.600 56.400 -0.075 0.000 0.806 115 E CB -0.170 29.501 29.700 -0.047 0.000 0.750 115 E HN 0.443 nan 8.360 nan 0.000 0.458 116 L N 0.990 122.106 121.223 -0.179 0.000 2.017 116 L HA -0.153 4.184 4.340 -0.005 0.000 0.208 116 L C 2.133 178.855 176.870 -0.247 0.000 1.073 116 L CA 1.530 56.231 54.840 -0.232 0.000 0.745 116 L CB -0.483 41.365 42.059 -0.351 0.000 0.894 116 L HN 0.220 nan 8.230 nan 0.000 0.432 117 L N -0.645 120.376 121.223 -0.336 0.000 2.042 117 L HA -0.236 4.101 4.340 -0.005 0.000 0.210 117 L C 2.244 179.021 176.870 -0.155 0.000 1.076 117 L CA 1.456 56.135 54.840 -0.268 0.000 0.749 117 L CB -0.858 41.011 42.059 -0.316 0.000 0.893 117 L HN 0.283 nan 8.230 nan 0.000 0.432 118 D N -0.741 119.582 120.400 -0.128 0.000 2.144 118 D HA -0.136 4.501 4.640 -0.005 0.000 0.199 118 D C 2.186 178.455 176.300 -0.052 0.000 0.984 118 D CA 1.483 55.436 54.000 -0.079 0.000 0.834 118 D CB -0.161 40.604 40.800 -0.058 0.000 0.955 118 D HN 0.266 nan 8.370 nan 0.000 0.465 119 T N 0.863 115.383 114.554 -0.058 0.000 2.777 119 T HA -0.030 4.317 4.350 -0.005 0.000 0.266 119 T C 2.228 176.906 174.700 -0.036 0.000 1.040 119 T CA 0.495 62.578 62.100 -0.028 0.000 1.141 119 T CB -0.197 68.661 68.868 -0.016 0.000 0.868 119 T HN 0.117 nan 8.240 nan 0.000 0.444 120 L N 1.551 122.732 121.223 -0.070 0.000 2.046 120 L HA -0.112 4.225 4.340 -0.005 0.000 0.208 120 L C 2.963 179.821 176.870 -0.020 0.000 1.077 120 L CA 1.532 56.325 54.840 -0.079 0.000 0.747 120 L CB -0.770 41.245 42.059 -0.074 0.000 0.896 120 L HN 0.384 nan 8.230 nan 0.000 0.432 121 S N -0.001 115.695 115.700 -0.007 0.000 2.402 121 S HA -0.113 4.353 4.470 -0.005 0.000 0.229 121 S C 2.177 176.841 174.600 0.106 0.000 1.021 121 S CA 0.720 58.959 58.200 0.064 0.000 0.974 121 S CB -0.441 62.723 63.200 -0.060 0.000 0.800 121 S HN 0.345 nan 8.310 nan 0.000 0.484 122 A N 2.298 125.151 122.820 0.055 0.000 1.908 122 A HA 0.012 4.329 4.320 -0.005 0.000 0.218 122 A C 2.379 180.011 177.584 0.081 0.000 1.181 122 A CA 1.794 53.871 52.037 0.068 0.000 0.627 122 A CB -0.770 18.256 19.000 0.044 0.000 0.818 122 A HN 0.577 nan 8.150 nan 0.000 0.445 123 M N -1.525 118.110 119.600 0.059 0.000 2.099 123 M HA -0.127 4.350 4.480 -0.005 0.000 0.262 123 M C 2.269 178.620 176.300 0.084 0.000 1.067 123 M CA 1.934 57.272 55.300 0.064 0.000 1.124 123 M CB -0.400 32.213 32.600 0.022 0.000 1.353 123 M HN 0.635 nan 8.290 nan 0.000 0.410 124 E N 0.487 120.726 120.200 0.066 0.000 2.106 124 E HA -0.175 4.172 4.350 -0.005 0.000 0.192 124 E C 1.978 178.699 176.600 0.202 0.000 0.984 124 E CA 1.770 58.230 56.400 0.099 0.000 0.806 124 E CB 0.120 29.870 29.700 0.084 0.000 0.750 124 E HN 0.499 nan 8.360 nan 0.000 0.458 125 S N 0.496 116.311 115.700 0.193 0.000 2.383 125 S HA -0.187 4.280 4.470 -0.005 0.000 0.227 125 S C 1.932 176.616 174.600 0.140 0.000 1.026 125 S CA 1.113 59.412 58.200 0.165 0.000 0.981 125 S CB -0.552 62.770 63.200 0.204 0.000 0.818 125 S HN 0.341 nan 8.310 nan 0.000 0.472 126 N N 0.918 119.699 118.700 0.135 0.000 2.043 126 N HA -0.184 4.553 4.740 -0.005 0.000 0.193 126 N C 1.654 177.231 175.510 0.111 0.000 1.037 126 N CA 1.691 54.801 53.050 0.100 0.000 0.851 126 N CB -0.491 38.046 38.487 0.083 0.000 1.027 126 N HN 0.495 nan 8.380 nan 0.000 0.422 127 F N 1.688 121.659 119.950 0.035 0.000 2.095 127 F HA -0.136 4.388 4.527 -0.005 0.000 0.298 127 F C 2.444 178.321 175.800 0.129 0.000 1.104 127 F CA 1.933 59.975 58.000 0.069 0.000 1.232 127 F CB -0.490 38.574 39.000 0.107 0.000 0.987 127 F HN 0.138 nan 8.300 nan 0.000 0.475 128 A N -0.498 122.525 122.820 0.338 0.000 2.067 128 A HA -0.131 4.185 4.320 -0.005 0.000 0.219 128 A C 2.009 179.639 177.584 0.076 0.000 1.158 128 A CA 1.407 53.579 52.037 0.225 0.000 0.661 128 A CB -0.520 18.596 19.000 0.192 0.000 0.801 128 A HN 0.473 nan 8.150 nan 0.000 0.452 129 K N -0.334 120.096 120.400 0.050 0.000 2.374 129 K HA 0.235 4.552 4.320 -0.005 0.000 0.196 129 K C -0.364 176.237 176.600 0.002 0.000 1.023 129 K CA -0.252 56.049 56.287 0.024 0.000 1.103 129 K CB 0.518 33.036 32.500 0.031 0.000 0.848 129 K HN 0.230 nan 8.250 nan 0.000 0.528 130 V N 3.169 123.063 119.914 -0.034 0.000 2.557 130 V HA -0.052 4.065 4.120 -0.005 0.000 0.301 130 V C 0.220 176.324 176.094 0.016 0.000 1.026 130 V CA 0.600 62.873 62.300 -0.044 0.000 1.137 130 V CB 0.300 32.043 31.823 -0.133 0.000 0.917 130 V HN 0.126 nan 8.190 nan 0.000 0.484 131 K N 4.083 124.500 120.400 0.029 0.000 2.468 131 K HA 0.674 4.991 4.320 -0.005 0.000 0.252 131 K C -0.802 175.843 176.600 0.074 0.000 0.932 131 K CA -0.508 55.813 56.287 0.057 0.000 0.794 131 K CB 2.376 34.905 32.500 0.047 0.000 1.241 131 K HN 0.542 nan 8.250 nan 0.000 0.428 132 V N -1.624 118.361 119.914 0.118 0.000 3.046 132 V HA 0.612 4.729 4.120 -0.005 0.000 0.316 132 V C -0.026 176.179 176.094 0.186 0.000 1.104 132 V CA -0.891 61.494 62.300 0.141 0.000 1.006 132 V CB 1.785 33.710 31.823 0.171 0.000 1.058 132 V HN 0.792 nan 8.190 nan 0.000 0.440 133 c N 2.325 121.047 118.600 0.202 0.000 2.466 133 c HA 0.369 4.936 4.570 -0.005 0.000 0.379 133 c C 0.460 174.740 174.090 0.317 0.000 1.251 133 c CA -0.147 56.313 56.329 0.218 0.000 2.263 133 c CB -0.007 42.609 42.510 0.177 0.000 2.511 133 c HN 1.022 nan 8.230 nan 0.000 0.573 134 D N 0.398 120.944 120.400 0.243 0.000 2.488 134 D HA -0.090 4.547 4.640 -0.005 0.000 0.238 134 D C 0.578 176.941 176.300 0.105 0.000 1.138 134 D CA 0.265 54.426 54.000 0.268 0.000 0.873 134 D CB 0.348 41.249 40.800 0.168 0.000 1.183 134 D HN 0.687 nan 8.370 nan 0.000 0.458 135 Y N 4.399 124.627 120.300 -0.119 0.000 2.207 135 Y HA -0.163 4.384 4.550 -0.005 0.000 0.287 135 Y C 1.670 177.355 175.900 -0.358 0.000 1.156 135 Y CA 1.701 59.417 58.100 -0.640 0.000 1.182 135 Y CB 0.265 38.432 38.460 -0.488 0.000 0.979 135 Y HN 0.403 nan 8.280 nan 0.000 0.521 136 K N -1.001 119.281 120.400 -0.197 0.000 2.353 136 K HA 0.055 4.372 4.320 -0.005 0.000 0.195 136 K C -0.336 176.178 176.600 -0.143 0.000 1.031 136 K CA 0.483 56.628 56.287 -0.237 0.000 1.079 136 K CB 0.601 33.043 32.500 -0.096 0.000 0.857 136 K HN 0.017 nan 8.250 nan 0.000 0.535 137 D N 0.361 120.713 120.400 -0.080 0.000 2.330 137 D HA 0.032 4.668 4.640 -0.005 0.000 0.249 137 D C 0.361 176.653 176.300 -0.014 0.000 1.306 137 D CA -0.141 53.837 54.000 -0.037 0.000 0.956 137 D CB 1.122 41.923 40.800 0.001 0.000 1.261 137 D HN -0.002 nan 8.370 nan 0.000 0.544 138 S N 0.813 116.493 115.700 -0.033 0.000 2.547 138 S HA -0.095 4.372 4.470 -0.005 0.000 0.235 138 S C 1.397 176.008 174.600 0.019 0.000 0.980 138 S CA 0.760 58.959 58.200 -0.002 0.000 0.941 138 S CB -0.072 63.118 63.200 -0.017 0.000 0.763 138 S HN 0.361 nan 8.310 nan 0.000 0.532 139 T N 1.093 115.656 114.554 0.014 0.000 2.937 139 T HA 0.119 4.466 4.350 -0.005 0.000 0.260 139 T C 0.792 175.512 174.700 0.033 0.000 1.051 139 T CA 0.497 62.609 62.100 0.020 0.000 1.141 139 T CB -0.109 68.766 68.868 0.012 0.000 0.879 139 T HN 0.389 nan 8.240 nan 0.000 0.459 140 K N 1.620 122.045 120.400 0.041 0.000 2.262 140 K HA 0.255 4.572 4.320 -0.005 0.000 0.288 140 K C -0.941 175.706 176.600 0.079 0.000 1.090 140 K CA -0.276 56.044 56.287 0.056 0.000 0.918 140 K CB -0.058 32.477 32.500 0.058 0.000 1.139 140 K HN 0.209 nan 8.250 nan 0.000 0.462 141 c N 3.911 122.554 118.600 0.072 0.000 2.751 141 c HA 0.162 4.729 4.570 -0.005 0.000 0.248 141 c C 0.010 174.145 174.090 0.076 0.000 1.710 141 c CA -0.772 55.607 56.329 0.084 0.000 1.676 141 c CB -0.808 41.745 42.510 0.071 0.000 3.106 141 c HN 0.810 nan 8.230 nan 0.000 0.502 142 D N -0.484 119.961 120.400 0.074 0.000 2.623 142 D HA 0.170 4.807 4.640 -0.005 0.000 0.252 142 D C -0.240 176.099 176.300 0.065 0.000 1.294 142 D CA -0.237 53.799 54.000 0.060 0.000 0.824 142 D CB -0.030 40.797 40.800 0.045 0.000 1.070 142 D HN 0.190 nan 8.370 nan 0.000 0.487 143 L N 1.506 122.784 121.223 0.092 0.000 2.278 143 L HA 0.544 4.881 4.340 -0.005 0.000 0.287 143 L C 0.650 177.564 176.870 0.073 0.000 1.072 143 L CA -0.270 54.624 54.840 0.089 0.000 0.819 143 L CB 1.206 43.356 42.059 0.151 0.000 1.176 143 L HN 0.143 nan 8.230 nan 0.000 0.435 144 A N 2.578 125.420 122.820 0.038 0.000 2.269 144 A HA 0.465 4.782 4.320 -0.005 0.000 0.319 144 A C 0.970 178.547 177.584 -0.012 0.000 1.110 144 A CA -0.543 51.510 52.037 0.026 0.000 0.847 144 A CB 0.561 19.573 19.000 0.020 0.000 1.161 144 A HN 0.717 nan 8.150 nan 0.000 0.497 145 L N 0.100 121.304 121.223 -0.030 0.000 1.990 145 L HA -0.082 4.255 4.340 -0.005 0.000 0.213 145 L C 0.456 177.276 176.870 -0.083 0.000 1.072 145 L CA 2.320 57.074 54.840 -0.143 0.000 0.755 145 L CB -0.215 41.728 42.059 -0.194 0.000 0.889 145 L HN 0.725 nan 8.230 nan 0.000 0.432 146 D N -1.094 119.298 120.400 -0.013 0.000 2.392 146 D HA 0.281 4.918 4.640 -0.005 0.000 0.228 146 D C -1.998 174.304 176.300 0.003 0.000 1.074 146 D CA -2.210 51.793 54.000 0.005 0.000 0.838 146 D CB 1.624 42.449 40.800 0.041 0.000 1.067 146 D HN 0.144 nan 8.370 nan 0.000 0.511 147 P HA 0.163 nan 4.420 nan 0.000 0.268 147 P C 0.659 177.928 177.300 -0.051 0.000 1.248 147 P CA 0.141 63.229 63.100 -0.021 0.000 0.851 147 P CB 1.145 32.840 31.700 -0.008 0.000 1.238 148 E N 0.749 120.917 120.200 -0.052 0.000 2.031 148 E HA -0.106 4.241 4.350 -0.005 0.000 0.193 148 E C 2.032 178.532 176.600 -0.166 0.000 0.994 148 E CA 1.367 57.720 56.400 -0.077 0.000 0.800 148 E CB -0.898 28.782 29.700 -0.033 0.000 0.752 148 E HN 0.238 nan 8.360 nan 0.000 0.447 149 I N 0.794 121.252 120.570 -0.188 0.000 2.252 149 I HA -0.213 3.954 4.170 -0.005 0.000 0.245 149 I C 2.152 178.090 176.117 -0.299 0.000 1.102 149 I CA 1.104 62.218 61.300 -0.310 0.000 1.385 149 I CB -0.309 37.541 38.000 -0.250 0.000 1.064 149 I HN 0.095 nan 8.210 nan 0.000 0.414 150 E N 0.650 120.716 120.200 -0.225 0.000 2.153 150 E HA -0.282 4.065 4.350 -0.005 0.000 0.194 150 E C 2.022 178.546 176.600 -0.127 0.000 0.988 150 E CA 1.179 57.476 56.400 -0.172 0.000 0.811 150 E CB -0.059 29.585 29.700 -0.093 0.000 0.746 150 E HN 0.485 nan 8.360 nan 0.000 0.466 151 E N 0.435 120.562 120.200 -0.122 0.000 2.051 151 E HA -0.176 4.171 4.350 -0.005 0.000 0.192 151 E C 2.061 178.592 176.600 -0.115 0.000 0.991 151 E CA 1.239 57.582 56.400 -0.095 0.000 0.799 151 E CB 0.188 29.840 29.700 -0.079 0.000 0.748 151 E HN 0.019 nan 8.360 nan 0.000 0.449 152 V N 1.403 121.199 119.914 -0.196 0.000 2.307 152 V HA -0.260 3.857 4.120 -0.005 0.000 0.245 152 V C 2.382 178.399 176.094 -0.129 0.000 1.045 152 V CA 1.335 63.510 62.300 -0.207 0.000 1.024 152 V CB -0.450 31.093 31.823 -0.467 0.000 0.651 152 V HN 0.386 nan 8.190 nan 0.000 0.449 153 I N 1.489 121.971 120.570 -0.146 0.000 2.208 153 I HA -0.219 3.948 4.170 -0.005 0.000 0.245 153 I C 2.668 178.758 176.117 -0.046 0.000 1.097 153 I CA 2.385 63.638 61.300 -0.079 0.000 1.363 153 I CB -1.401 36.527 38.000 -0.120 0.000 1.051 153 I HN 0.575 nan 8.210 nan 0.000 0.413 154 S N -0.048 115.623 115.700 -0.048 0.000 2.436 154 S HA -0.041 4.426 4.470 -0.005 0.000 0.228 154 S C 1.856 176.450 174.600 -0.010 0.000 1.014 154 S CA 0.440 58.631 58.200 -0.016 0.000 0.950 154 S CB 0.021 63.216 63.200 -0.009 0.000 0.784 154 S HN 0.443 nan 8.310 nan 0.000 0.504 155 K N 0.779 121.167 120.400 -0.020 0.000 2.329 155 K HA 0.278 4.595 4.320 -0.005 0.000 0.198 155 K C 0.772 177.375 176.600 0.005 0.000 1.085 155 K CA 0.212 56.494 56.287 -0.008 0.000 0.961 155 K CB 0.212 32.705 32.500 -0.013 0.000 0.971 155 K HN 0.277 nan 8.250 nan 0.000 0.502 156 S N 1.199 116.902 115.700 0.007 0.000 2.549 156 S HA 0.071 4.538 4.470 -0.005 0.000 0.283 156 S C 0.528 175.169 174.600 0.068 0.000 1.320 156 S CA -0.272 57.950 58.200 0.036 0.000 1.058 156 S CB 0.431 63.654 63.200 0.038 0.000 0.882 156 S HN 0.127 nan 8.310 nan 0.000 0.498 157 R N 2.741 123.304 120.500 0.104 0.000 2.652 157 R HA 0.239 4.576 4.340 -0.005 0.000 0.372 157 R C -0.679 175.791 176.300 0.283 0.000 1.104 157 R CA -0.317 55.902 56.100 0.199 0.000 1.072 157 R CB -0.423 29.956 30.300 0.131 0.000 1.367 157 R HN 0.584 nan 8.270 nan 0.000 0.577 158 D N 1.796 122.304 120.400 0.179 0.000 2.428 158 D HA 0.002 4.639 4.640 -0.005 0.000 0.221 158 D C 1.405 177.743 176.300 0.063 0.000 1.123 158 D CA -0.181 53.889 54.000 0.116 0.000 0.869 158 D CB 0.602 41.430 40.800 0.046 0.000 1.032 158 D HN 0.326 nan 8.370 nan 0.000 0.506 159 H N 2.850 122.004 119.070 0.140 0.000 2.421 159 H HA -0.064 4.489 4.556 -0.005 0.000 0.298 159 H C 0.600 175.973 175.328 0.075 0.000 1.087 159 H CA 0.886 56.929 56.048 -0.008 0.000 1.330 159 H CB 0.239 29.913 29.762 -0.146 0.000 1.388 159 H HN 0.491 nan 8.280 nan 0.000 0.526 160 E N 0.874 120.849 120.200 -0.376 0.000 2.112 160 E HA -0.125 4.222 4.350 -0.005 0.000 0.190 160 E C 2.221 178.678 176.600 -0.238 0.000 0.979 160 E CA 0.597 56.885 56.400 -0.188 0.000 0.814 160 E CB 0.108 29.705 29.700 -0.172 0.000 0.762 160 E HN 0.664 nan 8.360 nan 0.000 0.460 161 E N 1.370 121.335 120.200 -0.392 0.000 2.051 161 E HA -0.200 4.147 4.350 -0.005 0.000 0.192 161 E C 2.214 178.719 176.600 -0.159 0.000 0.991 161 E CA 0.799 56.752 56.400 -0.746 0.000 0.799 161 E CB -0.038 29.427 29.700 -0.391 0.000 0.748 161 E HN 0.157 nan 8.360 nan 0.000 0.449 162 L N 0.509 121.755 121.223 0.039 0.000 2.042 162 L HA -0.218 4.119 4.340 -0.005 0.000 0.210 162 L C 2.715 179.743 176.870 0.263 0.000 1.076 162 L CA 1.318 56.277 54.840 0.198 0.000 0.749 162 L CB -0.515 41.634 42.059 0.150 0.000 0.893 162 L HN 0.253 nan 8.230 nan 0.000 0.432 163 A N -0.931 122.006 122.820 0.195 0.000 1.933 163 A HA -0.275 4.042 4.320 -0.005 0.000 0.218 163 A C 2.180 179.798 177.584 0.056 0.000 1.175 163 A CA 1.516 53.533 52.037 -0.032 0.000 0.628 163 A CB -0.847 18.042 19.000 -0.185 0.000 0.814 163 A HN 0.505 nan 8.150 nan 0.000 0.444 164 Y N -0.801 119.439 120.300 -0.099 0.000 2.097 164 Y HA -0.288 4.259 4.550 -0.005 0.000 0.282 164 Y C 2.148 178.001 175.900 -0.078 0.000 1.152 164 Y CA 2.146 60.163 58.100 -0.139 0.000 1.136 164 Y CB -0.581 37.678 38.460 -0.335 0.000 0.975 164 Y HN 0.347 nan 8.280 nan 0.000 0.498 165 Y N -1.558 118.750 120.300 0.012 0.000 2.242 165 Y HA -0.228 4.319 4.550 -0.005 0.000 0.291 165 Y C 2.350 178.277 175.900 0.045 0.000 1.137 165 Y CA 1.564 59.643 58.100 -0.036 0.000 1.181 165 Y CB -1.136 37.361 38.460 0.062 0.000 0.989 165 Y HN 0.388 nan 8.280 nan 0.000 0.527 166 W N 1.059 122.413 121.300 0.092 0.000 2.333 166 W HA -0.249 4.408 4.660 -0.005 0.000 0.316 166 W C 2.814 179.409 176.519 0.127 0.000 1.215 166 W CA 2.432 59.845 57.345 0.112 0.000 1.278 166 W CB -0.304 29.131 29.460 -0.041 0.000 1.154 166 W HN -0.135 nan 8.180 nan 0.000 0.486 167 R N 0.282 121.033 120.500 0.418 0.000 2.073 167 R HA -0.193 4.144 4.340 -0.005 0.000 0.234 167 R C 2.104 178.420 176.300 0.027 0.000 1.134 167 R CA 1.875 58.132 56.100 0.261 0.000 0.952 167 R CB -0.510 29.876 30.300 0.143 0.000 0.850 167 R HN 0.114 nan 8.270 nan 0.000 0.433 168 E N 0.029 120.152 120.200 -0.127 0.000 2.085 168 E HA -0.214 4.133 4.350 -0.005 0.000 0.194 168 E C 1.685 178.260 176.600 -0.043 0.000 0.994 168 E CA 1.141 57.442 56.400 -0.165 0.000 0.801 168 E CB -0.436 29.038 29.700 -0.376 0.000 0.743 168 E HN 0.321 nan 8.360 nan 0.000 0.453 169 F N 0.362 120.237 119.950 -0.125 0.000 2.113 169 F HA -0.205 4.319 4.527 -0.005 0.000 0.297 169 F C 2.158 177.831 175.800 -0.212 0.000 1.103 169 F CA 1.219 59.120 58.000 -0.165 0.000 1.248 169 F CB -0.508 38.371 39.000 -0.201 0.000 0.999 169 F HN -0.045 nan 8.300 nan 0.000 0.475 170 Y N 0.972 121.017 120.300 -0.424 0.000 2.224 170 Y HA -0.238 4.309 4.550 -0.005 0.000 0.289 170 Y C 2.383 178.090 175.900 -0.321 0.000 1.146 170 Y CA 1.820 59.623 58.100 -0.496 0.000 1.182 170 Y CB -0.858 37.157 38.460 -0.742 0.000 0.983 170 Y HN 0.085 nan 8.280 nan 0.000 0.524 171 D N -0.216 120.143 120.400 -0.068 0.000 2.144 171 D HA -0.142 4.495 4.640 -0.005 0.000 0.199 171 D C 1.870 178.110 176.300 -0.101 0.000 0.984 171 D CA 1.459 55.436 54.000 -0.039 0.000 0.834 171 D CB -0.139 40.654 40.800 -0.010 0.000 0.955 171 D HN 0.348 nan 8.370 nan 0.000 0.465 172 K N -0.050 120.233 120.400 -0.195 0.000 2.166 172 K HA 0.189 4.506 4.320 -0.005 0.000 0.201 172 K C 1.943 178.371 176.600 -0.288 0.000 1.052 172 K CA 0.755 56.921 56.287 -0.201 0.000 0.969 172 K CB 0.257 32.648 32.500 -0.180 0.000 0.761 172 K HN -0.011 nan 8.250 nan 0.000 0.459 173 A N 0.697 123.186 122.820 -0.551 0.000 2.030 173 A HA 0.139 4.456 4.320 -0.005 0.000 0.215 173 A C 1.987 179.399 177.584 -0.285 0.000 1.164 173 A CA 1.199 52.909 52.037 -0.546 0.000 0.697 173 A CB -0.239 18.050 19.000 -1.184 0.000 0.827 173 A HN 0.352 nan 8.150 nan 0.000 0.457 174 G N -1.111 107.514 108.800 -0.290 0.000 2.724 174 G HA2 0.104 4.061 3.960 -0.005 0.000 0.217 174 G HA3 0.104 4.061 3.960 -0.005 0.000 0.217 174 G C 1.431 176.340 174.900 0.015 0.000 1.251 174 G CA 1.160 46.160 45.100 -0.168 0.000 0.867 174 G HN 0.286 nan 8.290 nan 0.000 0.590 175 T N 2.299 116.882 114.554 0.049 0.000 2.737 175 T HA -0.095 4.252 4.350 -0.005 0.000 0.269 175 T C 2.659 177.423 174.700 0.107 0.000 1.040 175 T CA 1.681 63.866 62.100 0.141 0.000 1.142 175 T CB -0.427 68.508 68.868 0.112 0.000 0.861 175 T HN 0.368 nan 8.240 nan 0.000 0.456 176 A N 1.204 124.052 122.820 0.046 0.000 2.076 176 A HA 0.001 4.318 4.320 -0.005 0.000 0.220 176 A C 2.182 179.803 177.584 0.062 0.000 1.160 176 A CA 1.512 53.571 52.037 0.036 0.000 0.653 176 A CB -0.636 18.366 19.000 0.003 0.000 0.801 176 A HN 0.589 nan 8.150 nan 0.000 0.455 177 V N -3.573 116.401 119.914 0.100 0.000 3.121 177 V HA 0.306 4.423 4.120 -0.005 0.000 0.344 177 V C 1.463 177.668 176.094 0.185 0.000 1.390 177 V CA 0.354 62.734 62.300 0.134 0.000 1.177 177 V CB -0.564 31.345 31.823 0.144 0.000 1.163 177 V HN 0.508 nan 8.190 nan 0.000 0.484 178 R N 2.175 122.745 120.500 0.117 0.000 2.083 178 R HA -0.173 4.164 4.340 -0.005 0.000 0.237 178 R C 2.427 178.708 176.300 -0.032 0.000 1.137 178 R CA 2.450 58.500 56.100 -0.083 0.000 0.951 178 R CB -0.352 29.814 30.300 -0.225 0.000 0.851 178 R HN 0.783 nan 8.270 nan 0.000 0.434 179 S N 0.047 115.747 115.700 -0.001 0.000 2.383 179 S HA -0.170 4.297 4.470 -0.005 0.000 0.227 179 S C 1.898 176.538 174.600 0.065 0.000 1.026 179 S CA 1.078 59.281 58.200 0.005 0.000 0.981 179 S CB -0.227 62.969 63.200 -0.005 0.000 0.818 179 S HN 0.385 nan 8.310 nan 0.000 0.472 180 Q N 0.419 120.282 119.800 0.104 0.000 2.084 180 Q HA 0.125 4.462 4.340 -0.005 0.000 0.202 180 Q C 1.808 177.935 176.000 0.211 0.000 0.978 180 Q CA 1.546 57.423 55.803 0.125 0.000 0.844 180 Q CB -0.612 28.193 28.738 0.111 0.000 0.898 180 Q HN 0.649 nan 8.270 nan 0.000 0.426 181 F N 1.404 121.450 119.950 0.160 0.000 2.134 181 F HA -0.189 4.335 4.527 -0.005 0.000 0.299 181 F C 1.825 177.854 175.800 0.381 0.000 1.097 181 F CA 1.465 59.656 58.000 0.317 0.000 1.264 181 F CB 0.082 39.322 39.000 0.401 0.000 1.001 181 F HN 0.083 nan 8.300 nan 0.000 0.479 182 E N -0.445 119.976 120.200 0.368 0.000 2.058 182 E HA -0.292 4.055 4.350 -0.005 0.000 0.194 182 E C 2.225 178.897 176.600 0.119 0.000 0.997 182 E CA 1.288 57.844 56.400 0.260 0.000 0.801 182 E CB -0.203 29.503 29.700 0.010 0.000 0.746 182 E HN 0.124 nan 8.360 nan 0.000 0.450 183 R N 0.415 120.959 120.500 0.073 0.000 2.092 183 R HA -0.172 4.165 4.340 -0.005 0.000 0.231 183 R C 2.125 178.424 176.300 -0.001 0.000 1.119 183 R CA 1.375 57.489 56.100 0.023 0.000 0.970 183 R CB -0.801 29.510 30.300 0.018 0.000 0.864 183 R HN 0.321 nan 8.270 nan 0.000 0.440 184 Y N -0.125 120.103 120.300 -0.120 0.000 2.128 184 Y HA -0.172 4.375 4.550 -0.005 0.000 0.284 184 Y C 1.770 177.549 175.900 -0.201 0.000 1.154 184 Y CA 1.852 59.831 58.100 -0.202 0.000 1.149 184 Y CB -0.584 37.724 38.460 -0.254 0.000 0.976 184 Y HN -0.111 nan 8.280 nan 0.000 0.505 185 V N 1.178 120.779 119.914 -0.521 0.000 2.287 185 V HA -0.319 3.798 4.120 -0.005 0.000 0.248 185 V C 2.295 178.251 176.094 -0.230 0.000 1.053 185 V CA 2.372 64.424 62.300 -0.414 0.000 1.027 185 V CB -0.724 31.059 31.823 -0.066 0.000 0.646 185 V HN 0.466 nan 8.190 nan 0.000 0.447 186 E N -0.105 120.028 120.200 -0.112 0.000 2.058 186 E HA -0.215 4.132 4.350 -0.005 0.000 0.194 186 E C 2.199 178.715 176.600 -0.140 0.000 0.997 186 E CA 1.455 57.805 56.400 -0.083 0.000 0.801 186 E CB -0.198 29.476 29.700 -0.043 0.000 0.746 186 E HN 0.508 nan 8.360 nan 0.000 0.450 187 L N 1.113 122.226 121.223 -0.184 0.000 2.131 187 L HA -0.119 4.218 4.340 -0.005 0.000 0.206 187 L C 2.477 179.185 176.870 -0.269 0.000 1.087 187 L CA 0.492 55.216 54.840 -0.194 0.000 0.767 187 L CB -0.457 41.490 42.059 -0.186 0.000 0.917 187 L HN 0.217 nan 8.230 nan 0.000 0.441 188 N N 0.128 118.578 118.700 -0.417 0.000 2.104 188 N HA -0.180 4.557 4.740 -0.005 0.000 0.190 188 N C 1.616 176.898 175.510 -0.379 0.000 1.024 188 N CA 2.154 54.926 53.050 -0.462 0.000 0.853 188 N CB 0.030 38.017 38.487 -0.834 0.000 1.008 188 N HN 0.224 nan 8.380 nan 0.000 0.424 189 T N 1.043 115.390 114.554 -0.345 0.000 2.746 189 T HA -0.118 4.229 4.350 -0.005 0.000 0.267 189 T C 1.903 176.528 174.700 -0.124 0.000 1.039 189 T CA 1.220 63.187 62.100 -0.223 0.000 1.142 189 T CB -0.120 68.670 68.868 -0.131 0.000 0.866 189 T HN 0.366 nan 8.240 nan 0.000 0.444 190 K N 1.112 121.450 120.400 -0.104 0.000 2.057 190 K HA -0.057 4.260 4.320 -0.005 0.000 0.207 190 K C 2.512 179.097 176.600 -0.024 0.000 1.049 190 K CA 1.258 57.512 56.287 -0.055 0.000 0.931 190 K CB -0.339 32.131 32.500 -0.050 0.000 0.714 190 K HN 0.277 nan 8.250 nan 0.000 0.440 191 A N 1.063 123.873 122.820 -0.016 0.000 1.877 191 A HA -0.120 4.197 4.320 -0.005 0.000 0.216 191 A C 2.355 179.981 177.584 0.070 0.000 1.186 191 A CA 1.944 54.022 52.037 0.068 0.000 0.620 191 A CB -0.936 18.184 19.000 0.200 0.000 0.822 191 A HN 0.496 nan 8.150 nan 0.000 0.443 192 A N -0.167 122.664 122.820 0.018 0.000 1.908 192 A HA -0.201 4.116 4.320 -0.005 0.000 0.218 192 A C 2.116 179.763 177.584 0.105 0.000 1.181 192 A CA 1.920 53.996 52.037 0.064 0.000 0.627 192 A CB -0.464 18.492 19.000 -0.073 0.000 0.818 192 A HN 0.556 nan 8.150 nan 0.000 0.445 193 K N -0.578 119.840 120.400 0.029 0.000 2.148 193 K HA 0.066 4.383 4.320 -0.005 0.000 0.204 193 K C 1.703 178.302 176.600 -0.001 0.000 1.050 193 K CA 0.950 57.244 56.287 0.012 0.000 0.942 193 K CB -0.286 32.210 32.500 -0.007 0.000 0.724 193 K HN 0.450 nan 8.250 nan 0.000 0.446 194 L N 1.190 122.420 121.223 0.010 0.000 2.275 194 L HA -0.120 4.217 4.340 -0.005 0.000 0.215 194 L C 1.354 178.220 176.870 -0.006 0.000 1.119 194 L CA 0.728 55.569 54.840 0.003 0.000 0.790 194 L CB -0.147 41.922 42.059 0.016 0.000 0.919 194 L HN 0.224 nan 8.230 nan 0.000 0.443 195 N N 0.200 118.908 118.700 0.013 0.000 2.322 195 N HA -0.018 4.719 4.740 -0.005 0.000 0.194 195 N C -0.056 175.305 175.510 -0.248 0.000 1.126 195 N CA 0.089 53.114 53.050 -0.042 0.000 0.845 195 N CB 0.255 38.819 38.487 0.128 0.000 0.976 195 N HN 0.201 nan 8.380 nan 0.000 0.475 196 N N 0.182 118.785 118.700 -0.161 0.000 2.741 196 N HA -0.187 4.549 4.740 -0.005 0.000 0.250 196 N C -0.867 174.473 175.510 -0.284 0.000 1.115 196 N CA 0.772 53.702 53.050 -0.201 0.000 0.724 196 N CB -1.734 36.629 38.487 -0.207 0.000 1.090 196 N HN 0.207 nan 8.380 nan 0.000 0.558 197 F N 0.022 119.951 119.950 -0.036 0.000 2.371 197 F HA 0.255 4.779 4.527 -0.005 0.000 0.329 197 F C 2.330 178.096 175.800 -0.056 0.000 1.107 197 F CA -0.349 57.623 58.000 -0.046 0.000 1.137 197 F CB 0.584 39.546 39.000 -0.064 0.000 1.214 197 F HN -0.192 nan 8.300 nan 0.000 0.536 198 T N -0.176 114.470 114.554 0.153 0.000 2.746 198 T HA -0.052 4.295 4.350 -0.005 0.000 0.267 198 T C 0.555 175.270 174.700 0.025 0.000 1.039 198 T CA 1.618 63.754 62.100 0.058 0.000 1.142 198 T CB -0.205 68.686 68.868 0.038 0.000 0.866 198 T HN 0.645 nan 8.240 nan 0.000 0.444 199 S N -1.459 114.241 115.700 0.001 0.000 2.703 199 S HA 0.561 5.028 4.470 -0.005 0.000 0.273 199 S C 1.201 175.659 174.600 -0.236 0.000 1.178 199 S CA -0.221 57.923 58.200 -0.093 0.000 0.838 199 S CB 1.038 64.211 63.200 -0.044 0.000 1.178 199 S HN 0.109 nan 8.310 nan 0.000 0.494 200 G N 0.364 108.861 108.800 -0.506 0.000 2.470 200 G HA2 0.165 4.122 3.960 -0.005 0.000 0.220 200 G HA3 0.165 4.122 3.960 -0.005 0.000 0.220 200 G C 1.392 175.900 174.900 -0.653 0.000 1.121 200 G CA 1.026 45.582 45.100 -0.908 0.000 0.766 200 G HN 1.255 nan 8.290 nan 0.000 0.553 201 A N 1.059 123.760 122.820 -0.199 0.000 1.877 201 A HA 0.008 4.325 4.320 -0.005 0.000 0.216 201 A C 2.207 179.647 177.584 -0.239 0.000 1.186 201 A CA 2.027 53.998 52.037 -0.110 0.000 0.620 201 A CB -0.308 18.552 19.000 -0.233 0.000 0.822 201 A HN 0.323 nan 8.150 nan 0.000 0.443 202 E N 0.075 120.125 120.200 -0.250 0.000 2.106 202 E HA 0.039 4.386 4.350 -0.005 0.000 0.192 202 E C 2.178 178.437 176.600 -0.569 0.000 0.984 202 E CA 1.154 57.411 56.400 -0.238 0.000 0.806 202 E CB -0.463 29.221 29.700 -0.027 0.000 0.750 202 E HN 0.571 nan 8.360 nan 0.000 0.458 203 A N 0.382 122.720 122.820 -0.803 0.000 1.902 203 A HA -0.185 4.132 4.320 -0.005 0.000 0.217 203 A C 1.712 179.046 177.584 -0.417 0.000 1.181 203 A CA 1.299 52.663 52.037 -1.123 0.000 0.623 203 A CB -0.877 17.704 19.000 -0.698 0.000 0.818 203 A HN 0.309 nan 8.150 nan 0.000 0.443 204 W N -0.091 121.049 121.300 -0.267 0.000 2.379 204 W HA -0.014 4.644 4.660 -0.005 0.000 0.307 204 W C 2.100 178.619 176.519 0.000 0.000 1.200 204 W CA 0.739 58.052 57.345 -0.053 0.000 1.297 204 W CB -1.281 28.302 29.460 0.206 0.000 1.140 204 W HN 0.261 nan 8.180 nan 0.000 0.507 205 L N 0.033 121.403 121.223 0.245 0.000 2.191 205 L HA -0.225 4.112 4.340 -0.005 0.000 0.212 205 L C 2.011 178.967 176.870 0.142 0.000 1.103 205 L CA 1.688 56.681 54.840 0.254 0.000 0.769 205 L CB -0.813 41.291 42.059 0.074 0.000 0.908 205 L HN -0.078 nan 8.230 nan 0.000 0.438 206 D N -0.001 120.381 120.400 -0.030 0.000 2.221 206 D HA -0.220 4.417 4.640 -0.005 0.000 0.204 206 D C 1.973 178.245 176.300 -0.047 0.000 0.982 206 D CA 0.913 54.904 54.000 -0.014 0.000 0.857 206 D CB 0.172 40.924 40.800 -0.080 0.000 0.934 206 D HN 0.195 nan 8.370 nan 0.000 0.475 207 E N -0.681 119.418 120.200 -0.168 0.000 2.333 207 E HA -0.180 4.167 4.350 -0.005 0.000 0.198 207 E C 1.080 177.383 176.600 -0.495 0.000 1.007 207 E CA 0.699 56.883 56.400 -0.360 0.000 0.845 207 E CB -0.254 29.125 29.700 -0.535 0.000 0.766 207 E HN 0.635 nan 8.360 nan 0.000 0.507 208 Y N 0.444 120.623 120.300 -0.201 0.000 2.457 208 Y HA 0.136 4.683 4.550 -0.005 0.000 0.263 208 Y C 0.282 176.175 175.900 -0.012 0.000 1.164 208 Y CA -0.186 57.698 58.100 -0.360 0.000 1.274 208 Y CB 0.103 37.833 38.460 -1.217 0.000 1.097 208 Y HN -0.064 nan 8.280 nan 0.000 0.523 209 E N 1.583 121.852 120.200 0.115 0.000 2.199 209 E HA -0.265 4.082 4.350 -0.005 0.000 0.208 209 E C -0.908 175.791 176.600 0.165 0.000 1.310 209 E CA 0.847 57.322 56.400 0.126 0.000 0.709 209 E CB -1.018 28.733 29.700 0.085 0.000 1.127 209 E HN 0.305 nan 8.360 nan 0.000 0.354 210 D N 0.257 120.778 120.400 0.202 0.000 2.548 210 D HA 0.019 4.656 4.640 -0.005 0.000 0.214 210 D C 0.143 176.595 176.300 0.253 0.000 1.345 210 D CA -0.407 53.747 54.000 0.258 0.000 0.945 210 D CB 0.812 41.887 40.800 0.459 0.000 1.499 210 D HN 0.046 nan 8.370 nan 0.000 0.579 211 D N 1.357 121.866 120.400 0.182 0.000 2.371 211 D HA -0.115 4.522 4.640 -0.005 0.000 0.221 211 D C 1.137 177.534 176.300 0.160 0.000 0.986 211 D CA 0.713 54.805 54.000 0.153 0.000 0.899 211 D CB -0.213 40.653 40.800 0.109 0.000 0.902 211 D HN 0.323 nan 8.370 nan 0.000 0.530 212 T N -4.333 110.341 114.554 0.200 0.000 3.174 212 T HA 0.167 4.514 4.350 -0.005 0.000 0.269 212 T C 1.151 175.983 174.700 0.220 0.000 1.017 212 T CA -0.707 61.499 62.100 0.177 0.000 0.899 212 T CB -0.832 68.122 68.868 0.142 0.000 1.077 212 T HN -0.055 nan 8.240 nan 0.000 0.552 213 F N 2.655 122.674 119.950 0.114 0.000 2.134 213 F HA 0.054 4.578 4.527 -0.005 0.000 0.299 213 F C 2.125 177.964 175.800 0.066 0.000 1.097 213 F CA 1.418 59.477 58.000 0.099 0.000 1.264 213 F CB -0.103 38.954 39.000 0.095 0.000 1.001 213 F HN 0.245 nan 8.300 nan 0.000 0.479 214 E N -0.694 119.602 120.200 0.160 0.000 2.058 214 E HA -0.312 4.035 4.350 -0.005 0.000 0.194 214 E C 2.105 178.776 176.600 0.118 0.000 0.997 214 E CA 1.438 57.923 56.400 0.141 0.000 0.801 214 E CB -0.280 29.486 29.700 0.110 0.000 0.746 214 E HN 0.301 nan 8.360 nan 0.000 0.450 215 Q N 0.995 120.851 119.800 0.094 0.000 2.084 215 Q HA -0.186 4.151 4.340 -0.005 0.000 0.202 215 Q C 1.920 177.952 176.000 0.053 0.000 0.978 215 Q CA 1.615 57.472 55.803 0.091 0.000 0.844 215 Q CB -0.026 28.762 28.738 0.083 0.000 0.898 215 Q HN 0.282 nan 8.270 nan 0.000 0.426 216 Q N -0.533 119.261 119.800 -0.010 0.000 2.061 216 Q HA -0.165 4.172 4.340 -0.005 0.000 0.204 216 Q C 2.111 178.037 176.000 -0.124 0.000 0.984 216 Q CA 1.628 57.389 55.803 -0.068 0.000 0.846 216 Q CB -0.172 28.487 28.738 -0.131 0.000 0.902 216 Q HN 0.396 nan 8.270 nan 0.000 0.421 217 L N 0.511 121.598 121.223 -0.227 0.000 2.093 217 L HA -0.176 4.161 4.340 -0.005 0.000 0.208 217 L C 2.369 179.244 176.870 0.009 0.000 1.085 217 L CA 0.777 55.461 54.840 -0.260 0.000 0.755 217 L CB -0.352 41.419 42.059 -0.481 0.000 0.904 217 L HN 0.196 nan 8.230 nan 0.000 0.435 218 E N 0.272 120.598 120.200 0.209 0.000 2.085 218 E HA -0.225 4.122 4.350 -0.005 0.000 0.194 218 E C 1.739 178.494 176.600 0.259 0.000 0.994 218 E CA 1.372 57.989 56.400 0.362 0.000 0.801 218 E CB -0.259 29.613 29.700 0.287 0.000 0.743 218 E HN 0.509 nan 8.360 nan 0.000 0.453 219 D N 0.560 121.044 120.400 0.140 0.000 2.117 219 D HA -0.093 4.544 4.640 -0.005 0.000 0.197 219 D C 2.180 178.527 176.300 0.079 0.000 0.987 219 D CA 0.674 54.731 54.000 0.096 0.000 0.829 219 D CB -0.294 40.542 40.800 0.061 0.000 0.961 219 D HN 0.195 nan 8.370 nan 0.000 0.460 220 I N 0.091 120.694 120.570 0.056 0.000 2.202 220 I HA -0.233 3.934 4.170 -0.005 0.000 0.242 220 I C 2.224 178.385 176.117 0.073 0.000 1.091 220 I CA 0.596 61.916 61.300 0.032 0.000 1.368 220 I CB -0.196 37.791 38.000 -0.022 0.000 1.058 220 I HN -0.115 nan 8.210 nan 0.000 0.410 221 F N 1.910 121.855 119.950 -0.008 0.000 2.126 221 F HA -0.283 4.241 4.527 -0.005 0.000 0.299 221 F C 2.455 178.310 175.800 0.092 0.000 1.096 221 F CA 1.461 59.494 58.000 0.054 0.000 1.255 221 F CB -0.410 38.697 39.000 0.179 0.000 0.997 221 F HN 0.022 nan 8.300 nan 0.000 0.479 222 A N -0.180 122.682 122.820 0.070 0.000 1.972 222 A HA -0.197 4.120 4.320 -0.005 0.000 0.219 222 A C 1.954 179.484 177.584 -0.091 0.000 1.169 222 A CA 1.973 53.992 52.037 -0.030 0.000 0.635 222 A CB -0.922 18.121 19.000 0.072 0.000 0.810 222 A HN 0.449 nan 8.150 nan 0.000 0.446 223 D N -0.068 120.300 120.400 -0.054 0.000 2.144 223 D HA -0.088 4.549 4.640 -0.005 0.000 0.200 223 D C 1.695 177.946 176.300 -0.082 0.000 0.978 223 D CA 0.962 54.933 54.000 -0.048 0.000 0.833 223 D CB -0.140 40.651 40.800 -0.015 0.000 0.961 223 D HN 0.405 nan 8.370 nan 0.000 0.470 224 I N 0.167 120.655 120.570 -0.136 0.000 3.030 224 I HA 0.029 4.196 4.170 -0.005 0.000 0.270 224 I C 2.278 178.275 176.117 -0.199 0.000 1.211 224 I CA 0.206 61.421 61.300 -0.142 0.000 1.479 224 I CB -0.723 37.205 38.000 -0.121 0.000 1.105 224 I HN -0.052 nan 8.210 nan 0.000 0.447 225 R N 1.668 121.945 120.500 -0.370 0.000 2.103 225 R HA -0.176 4.161 4.340 -0.005 0.000 0.242 225 R C -0.450 175.802 176.300 -0.081 0.000 1.142 225 R CA 2.067 57.952 56.100 -0.358 0.000 0.960 225 R CB -1.008 28.996 30.300 -0.493 0.000 0.858 225 R HN 0.211 nan 8.270 nan 0.000 0.439 226 P HA -0.164 nan 4.420 nan 0.000 0.216 226 P C 1.153 178.456 177.300 0.005 0.000 1.150 226 P CA 0.875 63.957 63.100 -0.030 0.000 0.837 226 P CB -0.069 31.609 31.700 -0.037 0.000 0.786 227 L N -1.402 119.823 121.223 0.003 0.000 2.046 227 L HA -0.174 4.163 4.340 -0.005 0.000 0.208 227 L C 2.352 179.250 176.870 0.047 0.000 1.077 227 L CA 1.777 56.627 54.840 0.018 0.000 0.747 227 L CB -1.620 40.432 42.059 -0.011 0.000 0.896 227 L HN -0.080 nan 8.230 nan 0.000 0.432 228 Y N 0.156 120.430 120.300 -0.044 0.000 2.165 228 Y HA -0.279 4.268 4.550 -0.005 0.000 0.286 228 Y C 2.494 178.485 175.900 0.152 0.000 1.155 228 Y CA 2.085 60.194 58.100 0.015 0.000 1.164 228 Y CB -0.267 38.202 38.460 0.014 0.000 0.978 228 Y HN 0.357 nan 8.280 nan 0.000 0.513 229 Q N -0.029 119.805 119.800 0.056 0.000 2.124 229 Q HA -0.210 4.127 4.340 -0.005 0.000 0.202 229 Q C 2.039 178.085 176.000 0.076 0.000 0.977 229 Q CA 1.506 57.344 55.803 0.058 0.000 0.850 229 Q CB -0.389 28.374 28.738 0.041 0.000 0.901 229 Q HN 0.615 nan 8.270 nan 0.000 0.429 230 Q N 0.207 120.044 119.800 0.062 0.000 2.083 230 Q HA -0.006 4.331 4.340 -0.005 0.000 0.198 230 Q C 2.312 178.427 176.000 0.192 0.000 0.969 230 Q CA 0.779 56.645 55.803 0.105 0.000 0.838 230 Q CB -0.162 28.623 28.738 0.077 0.000 0.900 230 Q HN 0.438 nan 8.270 nan 0.000 0.436 231 I N 0.437 121.092 120.570 0.141 0.000 2.202 231 I HA -0.277 3.890 4.170 -0.005 0.000 0.242 231 I C 2.655 178.951 176.117 0.299 0.000 1.091 231 I CA 1.172 62.604 61.300 0.220 0.000 1.368 231 I CB -0.519 37.476 38.000 -0.009 0.000 1.058 231 I HN 0.300 nan 8.210 nan 0.000 0.410 232 H N 1.398 120.462 119.070 -0.010 0.000 2.319 232 H HA -0.177 4.376 4.556 -0.005 0.000 0.297 232 H C 2.156 177.598 175.328 0.191 0.000 1.097 232 H CA 2.206 58.310 56.048 0.094 0.000 1.285 232 H CB -0.397 29.275 29.762 -0.149 0.000 1.368 232 H HN 0.342 nan 8.280 nan 0.000 0.495 233 G N -0.646 108.390 108.800 0.395 0.000 2.446 233 G HA2 -0.329 3.628 3.960 -0.005 0.000 0.217 233 G HA3 -0.329 3.628 3.960 -0.005 0.000 0.217 233 G C 1.824 176.900 174.900 0.293 0.000 1.168 233 G CA 0.867 46.165 45.100 0.330 0.000 0.771 233 G HN 0.560 nan 8.290 nan 0.000 0.551 234 Y N 0.760 121.198 120.300 0.230 0.000 2.200 234 Y HA -0.083 4.464 4.550 -0.005 0.000 0.290 234 Y C 2.903 178.990 175.900 0.313 0.000 1.137 234 Y CA 1.444 59.717 58.100 0.289 0.000 1.163 234 Y CB -0.076 38.563 38.460 0.298 0.000 0.988 234 Y HN 0.044 nan 8.280 nan 0.000 0.518 235 V N 0.894 121.017 119.914 0.349 0.000 2.295 235 V HA -0.328 3.788 4.120 -0.005 0.000 0.246 235 V C 2.485 178.543 176.094 -0.060 0.000 1.049 235 V CA 2.332 64.735 62.300 0.173 0.000 1.024 235 V CB -0.717 31.245 31.823 0.231 0.000 0.648 235 V HN 0.379 nan 8.190 nan 0.000 0.447 236 R N -0.466 119.980 120.500 -0.090 0.000 2.091 236 R HA -0.226 4.111 4.340 -0.005 0.000 0.238 236 R C 2.299 178.584 176.300 -0.025 0.000 1.136 236 R CA 2.183 58.214 56.100 -0.114 0.000 0.959 236 R CB -0.491 29.751 30.300 -0.096 0.000 0.856 236 R HN 0.483 nan 8.270 nan 0.000 0.437 237 F N 1.635 121.513 119.950 -0.120 0.000 2.095 237 F HA -0.179 4.344 4.527 -0.005 0.000 0.298 237 F C 2.050 177.735 175.800 -0.193 0.000 1.104 237 F CA 1.517 59.430 58.000 -0.146 0.000 1.232 237 F CB -0.174 38.720 39.000 -0.177 0.000 0.987 237 F HN -0.070 nan 8.300 nan 0.000 0.475 238 R N 0.700 120.855 120.500 -0.576 0.000 2.092 238 R HA -0.045 4.292 4.340 -0.005 0.000 0.231 238 R C 2.394 178.497 176.300 -0.328 0.000 1.119 238 R CA 1.325 57.058 56.100 -0.613 0.000 0.970 238 R CB -1.211 28.820 30.300 -0.449 0.000 0.864 238 R HN 0.413 nan 8.270 nan 0.000 0.440 239 L N 0.193 121.299 121.223 -0.196 0.000 2.141 239 L HA -0.107 4.230 4.340 -0.005 0.000 0.209 239 L C 2.593 179.459 176.870 -0.008 0.000 1.094 239 L CA 1.183 55.991 54.840 -0.053 0.000 0.763 239 L CB -0.304 41.714 42.059 -0.069 0.000 0.908 239 L HN 0.112 nan 8.230 nan 0.000 0.437 240 R N 0.229 120.666 120.500 -0.105 0.000 2.096 240 R HA -0.162 4.175 4.340 -0.005 0.000 0.235 240 R C 2.228 178.456 176.300 -0.120 0.000 1.127 240 R CA 1.275 57.323 56.100 -0.087 0.000 0.968 240 R CB -0.171 30.084 30.300 -0.075 0.000 0.861 240 R HN 0.322 nan 8.270 nan 0.000 0.440 241 K N -1.090 119.174 120.400 -0.228 0.000 2.211 241 K HA -0.166 4.151 4.320 -0.005 0.000 0.203 241 K C 1.798 178.302 176.600 -0.161 0.000 1.050 241 K CA 1.251 57.404 56.287 -0.224 0.000 0.945 241 K CB -0.093 32.197 32.500 -0.349 0.000 0.732 241 K HN 0.295 nan 8.250 nan 0.000 0.451 242 H N -1.062 117.867 119.070 -0.234 0.000 2.344 242 H HA -0.011 4.542 4.556 -0.005 0.000 0.307 242 H C 1.143 176.265 175.328 -0.343 0.000 1.057 242 H CA 1.481 57.342 56.048 -0.312 0.000 1.373 242 H CB 0.251 29.770 29.762 -0.405 0.000 1.421 242 H HN 0.104 nan 8.280 nan 0.000 0.532 243 Y N -0.138 120.140 120.300 -0.035 0.000 2.510 243 Y HA 0.275 4.822 4.550 -0.005 0.000 0.273 243 Y C 1.256 177.063 175.900 -0.154 0.000 1.119 243 Y CA 0.582 58.622 58.100 -0.101 0.000 1.286 243 Y CB 0.617 39.005 38.460 -0.120 0.000 1.061 243 Y HN 0.488 nan 8.280 nan 0.000 0.542 244 G N 0.461 109.257 108.800 -0.007 0.000 2.746 244 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.685 244 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.685 244 G C -0.375 174.497 174.900 -0.046 0.000 1.350 244 G CA -0.201 44.873 45.100 -0.044 0.000 0.837 244 G HN 0.215 nan 8.290 nan 0.000 0.564 245 D N 0.287 120.658 120.400 -0.049 0.000 2.347 245 D HA 0.301 4.938 4.640 -0.005 0.000 0.215 245 D C 2.507 178.770 176.300 -0.061 0.000 0.976 245 D CA 1.630 55.601 54.000 -0.049 0.000 0.884 245 D CB 0.009 40.787 40.800 -0.036 0.000 0.915 245 D HN 0.855 nan 8.370 nan 0.000 0.526 246 A N -0.115 122.664 122.820 -0.068 0.000 2.014 246 A HA -0.051 4.265 4.320 -0.005 0.000 0.218 246 A C 2.086 179.600 177.584 -0.118 0.000 1.163 246 A CA 0.839 52.830 52.037 -0.077 0.000 0.652 246 A CB -0.069 18.893 19.000 -0.062 0.000 0.808 246 A HN 0.172 nan 8.150 nan 0.000 0.449 247 V N -1.189 118.628 119.914 -0.161 0.000 2.672 247 V HA 0.072 4.189 4.120 -0.005 0.000 0.242 247 V C 0.368 176.345 176.094 -0.196 0.000 1.059 247 V CA 0.813 62.967 62.300 -0.244 0.000 1.081 247 V CB 0.378 31.958 31.823 -0.406 0.000 0.752 247 V HN 0.177 nan 8.190 nan 0.000 0.472 248 V N 1.360 121.189 119.914 -0.142 0.000 2.483 248 V HA 0.524 4.641 4.120 -0.005 0.000 0.297 248 V C -0.050 175.999 176.094 -0.074 0.000 1.027 248 V CA -0.513 61.714 62.300 -0.121 0.000 0.855 248 V CB 1.683 33.436 31.823 -0.117 0.000 0.995 248 V HN 0.422 nan 8.190 nan 0.000 0.424 249 S N 2.404 118.068 115.700 -0.059 0.000 2.632 249 S HA 0.345 4.812 4.470 -0.005 0.000 0.271 249 S C 0.869 175.468 174.600 -0.002 0.000 1.260 249 S CA -0.190 57.990 58.200 -0.032 0.000 1.010 249 S CB 1.746 64.929 63.200 -0.029 0.000 0.965 249 S HN 0.838 nan 8.310 nan 0.000 0.534 250 E N 0.637 120.834 120.200 -0.005 0.000 2.107 250 E HA -0.132 4.215 4.350 -0.005 0.000 0.191 250 E C 1.393 178.012 176.600 0.032 0.000 0.982 250 E CA 1.620 58.031 56.400 0.018 0.000 0.809 250 E CB -0.171 29.511 29.700 -0.029 0.000 0.756 250 E HN 0.930 nan 8.360 nan 0.000 0.459 251 T N -3.135 111.402 114.554 -0.028 0.000 3.023 251 T HA 0.307 4.654 4.350 -0.005 0.000 0.253 251 T C 0.711 175.512 174.700 0.168 0.000 1.038 251 T CA -0.005 62.083 62.100 -0.019 0.000 0.962 251 T CB 0.867 69.618 68.868 -0.195 0.000 1.018 251 T HN 0.109 nan 8.240 nan 0.000 0.521 252 G N 2.174 111.052 108.800 0.131 0.000 2.502 252 G HA2 0.611 4.567 3.960 -0.005 0.000 0.305 252 G HA3 0.611 4.567 3.960 -0.005 0.000 0.305 252 G C -2.950 172.058 174.900 0.179 0.000 1.190 252 G CA -1.887 43.299 45.100 0.144 0.000 0.933 252 G HN 0.081 nan 8.290 nan 0.000 0.503 253 P HA 0.116 nan 4.420 nan 0.000 0.269 253 P C -0.025 177.232 177.300 -0.071 0.000 1.209 253 P CA -0.045 63.033 63.100 -0.037 0.000 0.776 253 P CB 0.636 32.266 31.700 -0.117 0.000 0.876 254 I N 4.148 124.645 120.570 -0.122 0.000 2.533 254 I HA 0.083 4.250 4.170 -0.005 0.000 0.284 254 I C -1.907 174.078 176.117 -0.221 0.000 1.109 254 I CA -1.953 59.212 61.300 -0.225 0.000 1.412 254 I CB 0.201 37.963 38.000 -0.398 0.000 1.396 254 I HN 0.147 nan 8.210 nan 0.000 0.543 255 P HA -0.013 nan 4.420 nan 0.000 0.265 255 P C 0.739 177.933 177.300 -0.177 0.000 1.222 255 P CA 0.014 63.000 63.100 -0.190 0.000 0.767 255 P CB 0.517 32.148 31.700 -0.114 0.000 0.801 256 M N 3.717 123.219 119.600 -0.164 0.000 2.394 256 M HA -0.118 4.359 4.480 -0.005 0.000 0.264 256 M C 1.376 177.649 176.300 -0.045 0.000 1.073 256 M CA 1.420 56.659 55.300 -0.101 0.000 1.111 256 M CB -0.835 31.781 32.600 0.027 0.000 1.401 256 M HN 0.325 nan 8.290 nan 0.000 0.448 257 H N 1.281 120.183 119.070 -0.281 0.000 2.561 257 H HA 0.080 4.633 4.556 -0.005 0.000 0.278 257 H C 1.347 176.578 175.328 -0.161 0.000 1.014 257 H CA 0.726 56.678 56.048 -0.159 0.000 1.211 257 H CB -0.957 28.675 29.762 -0.216 0.000 1.365 257 H HN 0.533 nan 8.280 nan 0.000 0.594 258 L N 0.488 121.383 121.223 -0.547 0.000 2.607 258 L HA 0.179 4.515 4.340 -0.005 0.000 0.228 258 L C 1.484 178.166 176.870 -0.315 0.000 1.123 258 L CA 0.018 54.540 54.840 -0.530 0.000 0.890 258 L CB 0.162 41.784 42.059 -0.730 0.000 1.103 258 L HN 0.128 nan 8.230 nan 0.000 0.468 259 L N -0.124 120.931 121.223 -0.281 0.000 2.628 259 L HA 0.303 4.640 4.340 -0.005 0.000 0.229 259 L C 1.427 178.252 176.870 -0.075 0.000 1.137 259 L CA 0.338 54.985 54.840 -0.323 0.000 0.909 259 L CB 0.073 41.764 42.059 -0.614 0.000 1.137 259 L HN 0.409 nan 8.230 nan 0.000 0.470 260 G N 0.694 109.474 108.800 -0.034 0.000 2.159 260 G HA2 -0.297 3.660 3.960 -0.005 0.000 0.256 260 G HA3 -0.297 3.660 3.960 -0.005 0.000 0.256 260 G C 0.039 174.971 174.900 0.054 0.000 0.977 260 G CA 0.194 45.308 45.100 0.023 0.000 0.652 260 G HN 0.446 nan 8.290 nan 0.000 0.531 261 N N -0.857 117.882 118.700 0.065 0.000 2.324 261 N HA 0.380 5.116 4.740 -0.005 0.000 0.285 261 N C 1.078 176.575 175.510 -0.021 0.000 1.076 261 N CA -0.237 52.855 53.050 0.070 0.000 0.864 261 N CB 1.391 40.001 38.487 0.205 0.000 1.632 261 N HN -0.027 nan 8.380 nan 0.000 0.478 262 M N 2.581 121.968 119.600 -0.354 0.000 2.267 262 M HA 0.049 4.526 4.480 -0.005 0.000 0.263 262 M C 0.498 176.505 176.300 -0.487 0.000 1.063 262 M CA 1.735 56.599 55.300 -0.727 0.000 1.090 262 M CB -0.122 31.419 32.600 -1.765 0.000 1.392 262 M HN 0.622 nan 8.290 nan 0.000 0.422 263 W N -0.944 120.526 121.300 0.283 0.000 3.005 263 W HA 0.575 5.233 4.660 -0.005 0.000 0.374 263 W C 1.055 177.720 176.519 0.243 0.000 1.076 263 W CA 0.176 57.730 57.345 0.349 0.000 1.794 263 W CB -0.916 28.684 29.460 0.232 0.000 1.113 263 W HN 0.370 nan 8.180 nan 0.000 0.584 264 A N 2.033 125.067 122.820 0.357 0.000 2.799 264 A HA -0.355 3.962 4.320 -0.005 0.000 0.287 264 A C 1.697 179.485 177.584 0.340 0.000 1.484 264 A CA 2.053 54.330 52.037 0.399 0.000 0.813 264 A CB -2.018 17.227 19.000 0.409 0.000 1.009 264 A HN 0.614 nan 8.150 nan 0.000 0.545 265 Q N -1.521 118.255 119.800 -0.040 0.000 2.269 265 Q HA 0.107 4.444 4.340 -0.005 0.000 0.201 265 Q C 0.751 176.713 176.000 -0.063 0.000 0.946 265 Q CA 1.263 56.760 55.803 -0.509 0.000 0.877 265 Q CB 0.139 28.184 28.738 -1.156 0.000 0.963 265 Q HN 0.836 nan 8.270 nan 0.000 0.472 266 Q N -0.962 118.900 119.800 0.102 0.000 2.315 266 Q HA 0.197 4.534 4.340 -0.005 0.000 0.273 266 Q C -1.347 174.844 176.000 0.319 0.000 1.053 266 Q CA -0.673 55.182 55.803 0.087 0.000 0.817 266 Q CB 1.456 30.258 28.738 0.106 0.000 1.326 266 Q HN 0.311 nan 8.270 nan 0.000 0.423 267 W N 0.769 122.116 121.300 0.079 0.000 3.123 267 W HA 0.114 4.771 4.660 -0.005 0.000 0.383 267 W C 1.431 177.988 176.519 0.064 0.000 1.102 267 W CA -0.232 57.151 57.345 0.063 0.000 1.865 267 W CB -0.403 29.091 29.460 0.057 0.000 1.111 267 W HN 0.673 nan 8.180 nan 0.000 0.621 268 S N -0.164 115.684 115.700 0.247 0.000 2.442 268 S HA -0.184 4.283 4.470 -0.005 0.000 0.236 268 S C 1.336 176.035 174.600 0.164 0.000 1.007 268 S CA 1.166 59.479 58.200 0.189 0.000 0.965 268 S CB -0.118 63.177 63.200 0.158 0.000 0.773 268 S HN 0.102 nan 8.310 nan 0.000 0.504 269 E N 1.639 121.928 120.200 0.148 0.000 2.338 269 E HA 0.010 4.357 4.350 -0.005 0.000 0.197 269 E C 1.700 178.346 176.600 0.076 0.000 1.007 269 E CA 0.899 57.358 56.400 0.097 0.000 0.849 269 E CB -0.327 29.418 29.700 0.076 0.000 0.774 269 E HN 0.965 nan 8.360 nan 0.000 0.506 270 I N -3.635 116.994 120.570 0.098 0.000 3.941 270 I HA 0.374 4.541 4.170 -0.005 0.000 0.335 270 I C 1.757 177.932 176.117 0.097 0.000 1.402 270 I CA -0.061 61.271 61.300 0.053 0.000 1.112 270 I CB 0.379 38.382 38.000 0.005 0.000 1.043 270 I HN -0.225 nan 8.210 nan 0.000 0.395 271 A N 2.591 125.501 122.820 0.150 0.000 1.978 271 A HA -0.267 4.050 4.320 -0.005 0.000 0.220 271 A C 2.112 179.780 177.584 0.140 0.000 1.170 271 A CA 2.186 54.343 52.037 0.201 0.000 0.636 271 A CB -0.757 18.369 19.000 0.211 0.000 0.810 271 A HN 0.756 nan 8.150 nan 0.000 0.448 272 D N 0.599 121.048 120.400 0.081 0.000 2.309 272 D HA -0.146 4.491 4.640 -0.005 0.000 0.212 272 D C 1.552 177.862 176.300 0.015 0.000 0.968 272 D CA 1.518 55.548 54.000 0.050 0.000 0.882 272 D CB -0.419 40.400 40.800 0.031 0.000 0.918 272 D HN 0.730 nan 8.370 nan 0.000 0.503 273 I N -1.689 118.868 120.570 -0.021 0.000 4.070 273 I HA 0.101 4.268 4.170 -0.005 0.000 0.328 273 I C 1.594 177.682 176.117 -0.048 0.000 1.298 273 I CA -0.200 61.050 61.300 -0.082 0.000 1.173 273 I CB 0.730 38.552 38.000 -0.296 0.000 1.051 273 I HN -0.052 nan 8.210 nan 0.000 0.409 274 V N -1.202 118.737 119.914 0.043 0.000 3.477 274 V HA 0.330 4.447 4.120 -0.005 0.000 0.297 274 V C 0.903 177.083 176.094 0.143 0.000 1.433 274 V CA 0.121 62.481 62.300 0.100 0.000 1.052 274 V CB -0.731 31.231 31.823 0.231 0.000 0.895 274 V HN 0.389 nan 8.190 nan 0.000 0.438 275 S N 0.919 116.682 115.700 0.107 0.000 2.549 275 S HA 0.344 4.811 4.470 -0.005 0.000 0.283 275 S C -1.184 173.365 174.600 -0.086 0.000 1.320 275 S CA -0.318 57.904 58.200 0.037 0.000 1.058 275 S CB 0.933 64.195 63.200 0.104 0.000 0.882 275 S HN 0.268 nan 8.310 nan 0.000 0.498 276 P HA -0.056 nan 4.420 nan 0.000 0.216 276 P C -0.212 176.718 177.300 -0.617 0.000 1.154 276 P CA 1.341 64.143 63.100 -0.497 0.000 0.865 276 P CB -0.034 31.082 31.700 -0.974 0.000 0.789 277 F N -2.661 117.263 119.950 -0.043 0.000 2.564 277 F HA 0.341 4.865 4.527 -0.005 0.000 0.368 277 F C -1.870 173.935 175.800 0.008 0.000 1.127 277 F CA -2.239 55.759 58.000 -0.004 0.000 1.170 277 F CB 1.245 40.216 39.000 -0.049 0.000 1.397 277 F HN -0.093 nan 8.300 nan 0.000 0.493 278 P HA -0.110 nan 4.420 nan 0.000 0.225 278 P C 0.882 178.237 177.300 0.091 0.000 1.148 278 P CA 1.267 64.423 63.100 0.092 0.000 0.779 278 P CB 0.290 32.025 31.700 0.059 0.000 0.780 279 E N -1.119 119.148 120.200 0.111 0.000 2.474 279 E HA 0.034 4.381 4.350 -0.005 0.000 0.194 279 E C 0.434 177.065 176.600 0.052 0.000 1.041 279 E CA 0.378 56.823 56.400 0.074 0.000 0.874 279 E CB 0.185 29.929 29.700 0.073 0.000 0.914 279 E HN 0.216 nan 8.360 nan 0.000 0.498 280 K N 1.463 121.905 120.400 0.070 0.000 2.123 280 K HA 0.334 4.651 4.320 -0.005 0.000 0.248 280 K C -2.451 174.169 176.600 0.033 0.000 0.969 280 K CA -2.427 53.866 56.287 0.011 0.000 0.882 280 K CB 0.650 33.129 32.500 -0.035 0.000 1.080 280 K HN -0.119 nan 8.250 nan 0.000 0.441 281 P HA 0.052 nan 4.420 nan 0.000 0.266 281 P C -0.678 176.720 177.300 0.164 0.000 1.195 281 P CA -0.350 62.796 63.100 0.077 0.000 0.768 281 P CB 0.501 32.227 31.700 0.042 0.000 0.838 282 L N 4.485 125.811 121.223 0.171 0.000 2.376 282 L HA 0.294 4.631 4.340 -0.005 0.000 0.275 282 L C -0.724 176.240 176.870 0.157 0.000 0.987 282 L CA -0.857 54.087 54.840 0.174 0.000 0.828 282 L CB 1.983 44.125 42.059 0.139 0.000 1.249 282 L HN 0.045 nan 8.230 nan 0.000 0.409 283 V N 4.518 124.521 119.914 0.149 0.000 2.446 283 V HA 0.282 4.399 4.120 -0.005 0.000 0.276 283 V C -0.341 175.791 176.094 0.063 0.000 1.030 283 V CA 0.110 62.454 62.300 0.074 0.000 1.033 283 V CB 0.633 32.463 31.823 0.012 0.000 0.993 283 V HN 0.757 nan 8.190 nan 0.000 0.477 284 D N 3.952 124.371 120.400 0.032 0.000 2.328 284 D HA 0.180 4.817 4.640 -0.005 0.000 0.243 284 D C 0.282 176.563 176.300 -0.032 0.000 1.324 284 D CA -0.381 53.624 54.000 0.008 0.000 0.966 284 D CB 1.899 42.714 40.800 0.025 0.000 1.324 284 D HN 0.336 nan 8.370 nan 0.000 0.549 285 V N 1.181 121.051 119.914 -0.073 0.000 3.649 285 V HA 0.133 4.250 4.120 -0.005 0.000 0.275 285 V C 1.691 177.695 176.094 -0.150 0.000 1.281 285 V CA 0.520 62.751 62.300 -0.115 0.000 1.143 285 V CB 0.048 31.785 31.823 -0.143 0.000 0.892 285 V HN 0.273 nan 8.190 nan 0.000 0.441 286 S N 1.920 117.547 115.700 -0.122 0.000 2.365 286 S HA -0.177 4.290 4.470 -0.005 0.000 0.225 286 S C 2.303 176.840 174.600 -0.105 0.000 1.039 286 S CA 2.049 60.178 58.200 -0.118 0.000 1.033 286 S CB -0.565 62.589 63.200 -0.077 0.000 0.887 286 S HN 0.948 nan 8.310 nan 0.000 0.447 287 A N 1.657 124.432 122.820 -0.074 0.000 1.908 287 A HA -0.147 4.170 4.320 -0.005 0.000 0.218 287 A C 2.108 179.648 177.584 -0.073 0.000 1.181 287 A CA 1.397 53.401 52.037 -0.056 0.000 0.627 287 A CB -0.490 18.490 19.000 -0.033 0.000 0.818 287 A HN 0.346 nan 8.150 nan 0.000 0.445 288 E N -0.437 119.703 120.200 -0.100 0.000 2.106 288 E HA -0.149 4.198 4.350 -0.005 0.000 0.192 288 E C 2.095 178.576 176.600 -0.199 0.000 0.984 288 E CA 1.158 57.488 56.400 -0.117 0.000 0.806 288 E CB -0.404 29.227 29.700 -0.115 0.000 0.750 288 E HN 0.726 nan 8.360 nan 0.000 0.458 289 M N 0.350 119.752 119.600 -0.330 0.000 2.080 289 M HA -0.202 4.275 4.480 -0.005 0.000 0.260 289 M C 2.093 178.278 176.300 -0.192 0.000 1.068 289 M CA 1.610 56.565 55.300 -0.575 0.000 1.109 289 M CB -0.292 31.979 32.600 -0.549 0.000 1.342 289 M HN 0.034 nan 8.290 nan 0.000 0.405 290 E N -0.014 120.130 120.200 -0.093 0.000 2.072 290 E HA -0.199 4.148 4.350 -0.005 0.000 0.191 290 E C 2.006 178.615 176.600 0.014 0.000 0.985 290 E CA 1.001 57.397 56.400 -0.007 0.000 0.801 290 E CB -0.098 29.595 29.700 -0.012 0.000 0.750 290 E HN 0.379 nan 8.360 nan 0.000 0.452 291 K N 0.994 121.389 120.400 -0.008 0.000 2.057 291 K HA -0.193 4.124 4.320 -0.005 0.000 0.207 291 K C 1.756 178.379 176.600 0.039 0.000 1.049 291 K CA 1.357 57.650 56.287 0.009 0.000 0.931 291 K CB 0.089 32.586 32.500 -0.006 0.000 0.714 291 K HN 0.073 nan 8.250 nan 0.000 0.440 292 Q N -0.780 119.057 119.800 0.061 0.000 2.415 292 Q HA 0.071 4.408 4.340 -0.005 0.000 0.206 292 Q C 0.395 176.515 176.000 0.199 0.000 0.946 292 Q CA 0.424 56.310 55.803 0.137 0.000 0.951 292 Q CB 0.595 29.451 28.738 0.197 0.000 1.026 292 Q HN 0.614 nan 8.270 nan 0.000 0.510 293 G N 0.706 109.606 108.800 0.166 0.000 2.198 293 G HA2 -0.322 3.634 3.960 -0.005 0.000 0.257 293 G HA3 -0.322 3.634 3.960 -0.005 0.000 0.257 293 G C -0.329 174.687 174.900 0.193 0.000 1.042 293 G CA -0.260 44.926 45.100 0.142 0.000 0.791 293 G HN 0.430 nan 8.290 nan 0.000 0.502 294 Y N 1.061 121.374 120.300 0.022 0.000 2.702 294 Y HA 0.298 4.845 4.550 -0.005 0.000 0.336 294 Y C 1.681 177.608 175.900 0.045 0.000 1.235 294 Y CA 0.941 59.061 58.100 0.034 0.000 1.492 294 Y CB 0.674 39.150 38.460 0.027 0.000 1.308 294 Y HN 0.410 nan 8.280 nan 0.000 0.589 295 T N 0.196 114.833 114.554 0.139 0.000 2.930 295 T HA 0.322 4.669 4.350 -0.005 0.000 0.290 295 T C -2.269 172.535 174.700 0.172 0.000 1.052 295 T CA -2.346 59.832 62.100 0.129 0.000 1.017 295 T CB 1.951 70.868 68.868 0.083 0.000 1.137 295 T HN 0.185 nan 8.240 nan 0.000 0.511 296 P HA -0.093 nan 4.420 nan 0.000 0.216 296 P C 1.711 179.258 177.300 0.411 0.000 1.153 296 P CA 0.480 63.764 63.100 0.306 0.000 0.858 296 P CB -0.038 31.824 31.700 0.270 0.000 0.789 297 L N 0.047 121.436 121.223 0.276 0.000 2.012 297 L HA -0.188 4.149 4.340 -0.005 0.000 0.210 297 L C 2.263 179.286 176.870 0.255 0.000 1.073 297 L CA 2.097 57.104 54.840 0.278 0.000 0.748 297 L CB -1.184 40.949 42.059 0.123 0.000 0.891 297 L HN -0.223 nan 8.230 nan 0.000 0.431 298 K N -0.590 119.880 120.400 0.117 0.000 2.057 298 K HA -0.163 4.154 4.320 -0.005 0.000 0.207 298 K C 1.965 178.601 176.600 0.059 0.000 1.049 298 K CA 2.041 58.327 56.287 -0.002 0.000 0.931 298 K CB -0.313 32.067 32.500 -0.200 0.000 0.714 298 K HN 0.392 nan 8.250 nan 0.000 0.440 299 M N -0.989 118.697 119.600 0.143 0.000 2.117 299 M HA -0.082 4.395 4.480 -0.005 0.000 0.262 299 M C 1.756 178.104 176.300 0.080 0.000 1.065 299 M CA 1.588 56.967 55.300 0.132 0.000 1.114 299 M CB -0.317 32.351 32.600 0.112 0.000 1.361 299 M HN 0.043 nan 8.290 nan 0.000 0.408 300 F N 0.470 120.554 119.950 0.223 0.000 2.206 300 F HA -0.164 4.359 4.527 -0.006 0.000 0.298 300 F C 2.582 178.616 175.800 0.389 0.000 1.090 300 F CA 1.336 59.512 58.000 0.294 0.000 1.323 300 F CB -0.418 38.850 39.000 0.446 0.000 1.028 300 F HN 0.153 nan 8.300 nan 0.000 0.492 301 Q N -0.461 119.668 119.800 0.547 0.000 2.124 301 Q HA -0.209 4.128 4.340 -0.005 0.000 0.202 301 Q C 2.202 178.358 176.000 0.260 0.000 0.977 301 Q CA 1.527 57.555 55.803 0.375 0.000 0.850 301 Q CB -0.235 28.573 28.738 0.116 0.000 0.901 301 Q HN 0.458 nan 8.270 nan 0.000 0.429 302 M N -0.537 119.185 119.600 0.203 0.000 2.175 302 M HA -0.082 4.395 4.480 -0.005 0.000 0.264 302 M C 2.145 178.611 176.300 0.277 0.000 1.063 302 M CA 1.410 56.842 55.300 0.220 0.000 1.119 302 M CB -0.281 32.446 32.600 0.211 0.000 1.377 302 M HN 0.342 nan 8.290 nan 0.000 0.415 303 G N -0.001 108.861 108.800 0.105 0.000 2.421 303 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.216 303 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.216 303 G C 1.078 176.130 174.900 0.253 0.000 1.171 303 G CA 1.342 46.385 45.100 -0.094 0.000 0.775 303 G HN 0.387 nan 8.290 nan 0.000 0.543 304 D N 0.761 121.315 120.400 0.257 0.000 2.116 304 D HA -0.167 4.470 4.640 -0.005 0.000 0.193 304 D C 2.048 178.530 176.300 0.303 0.000 0.998 304 D CA 1.526 55.690 54.000 0.274 0.000 0.836 304 D CB -0.428 40.576 40.800 0.339 0.000 0.951 304 D HN 0.263 nan 8.370 nan 0.000 0.449 305 D N -1.206 119.371 120.400 0.295 0.000 2.123 305 D HA -0.210 4.427 4.640 -0.005 0.000 0.196 305 D C 2.053 178.542 176.300 0.315 0.000 0.992 305 D CA 0.911 55.078 54.000 0.278 0.000 0.833 305 D CB -0.639 40.329 40.800 0.281 0.000 0.954 305 D HN 0.343 nan 8.370 nan 0.000 0.455 306 F N -0.717 119.395 119.950 0.271 0.000 2.102 306 F HA -0.135 4.389 4.527 -0.006 0.000 0.298 306 F C 1.959 177.700 175.800 -0.099 0.000 1.105 306 F CA 1.252 59.355 58.000 0.171 0.000 1.239 306 F CB -0.229 38.849 39.000 0.130 0.000 0.991 306 F HN -0.066 nan 8.300 nan 0.000 0.474 307 F N 0.414 120.513 119.950 0.248 0.000 2.102 307 F HA -0.242 4.281 4.527 -0.007 0.000 0.298 307 F C 2.861 178.653 175.800 -0.013 0.000 1.105 307 F CA 1.965 60.000 58.000 0.059 0.000 1.239 307 F CB -1.351 37.626 39.000 -0.038 0.000 0.991 307 F HN 0.017 nan 8.300 nan 0.000 0.474 308 T N -2.761 111.900 114.554 0.178 0.000 2.867 308 T HA -0.179 4.168 4.350 -0.005 0.000 0.268 308 T C 2.117 176.788 174.700 -0.048 0.000 1.057 308 T CA 1.156 63.293 62.100 0.061 0.000 1.136 308 T CB -0.948 67.961 68.868 0.067 0.000 0.874 308 T HN 0.322 nan 8.240 nan 0.000 0.466 309 S N 1.526 117.133 115.700 -0.156 0.000 2.442 309 S HA 0.029 4.496 4.470 -0.005 0.000 0.236 309 S C 1.831 176.227 174.600 -0.340 0.000 1.007 309 S CA 0.669 58.630 58.200 -0.398 0.000 0.965 309 S CB -0.783 61.788 63.200 -1.047 0.000 0.773 309 S HN 0.572 nan 8.310 nan 0.000 0.504 310 M N 1.113 120.587 119.600 -0.210 0.000 2.505 310 M HA 0.303 4.780 4.480 -0.005 0.000 0.230 310 M C 0.519 176.789 176.300 -0.051 0.000 1.153 310 M CA -0.015 55.214 55.300 -0.118 0.000 0.997 310 M CB -0.334 32.234 32.600 -0.052 0.000 1.606 310 M HN 0.334 nan 8.290 nan 0.000 0.481 311 N N 0.927 119.592 118.700 -0.058 0.000 2.776 311 N HA -0.147 4.590 4.740 -0.005 0.000 0.250 311 N C -1.073 174.424 175.510 -0.022 0.000 1.112 311 N CA 0.582 53.605 53.050 -0.044 0.000 0.733 311 N CB -1.177 37.277 38.487 -0.055 0.000 1.097 311 N HN 0.386 nan 8.380 nan 0.000 0.558 312 L N -0.864 120.373 121.223 0.023 0.000 2.492 312 L HA 0.495 4.832 4.340 -0.005 0.000 0.263 312 L C 0.906 177.792 176.870 0.026 0.000 1.062 312 L CA -0.826 54.044 54.840 0.050 0.000 0.817 312 L CB 0.706 42.853 42.059 0.147 0.000 1.441 312 L HN -0.009 nan 8.230 nan 0.000 0.493 313 T N 0.831 115.381 114.554 -0.007 0.000 2.814 313 T HA 0.102 4.449 4.350 -0.005 0.000 0.297 313 T C -0.008 174.659 174.700 -0.054 0.000 0.956 313 T CA -0.352 61.725 62.100 -0.038 0.000 1.123 313 T CB 0.643 69.479 68.868 -0.052 0.000 0.902 313 T HN 0.365 nan 8.240 nan 0.000 0.528 314 K N 3.702 124.092 120.400 -0.016 0.000 2.355 314 K HA 0.166 4.483 4.320 -0.005 0.000 0.270 314 K C -0.202 176.373 176.600 -0.043 0.000 1.003 314 K CA -0.520 55.772 56.287 0.009 0.000 0.957 314 K CB 0.320 32.854 32.500 0.057 0.000 0.939 314 K HN 0.520 nan 8.250 nan 0.000 0.482 315 L N 6.236 127.414 121.223 -0.075 0.000 2.499 315 L HA 0.119 4.456 4.340 -0.005 0.000 0.273 315 L C -1.610 175.249 176.870 -0.019 0.000 1.195 315 L CA -1.575 53.123 54.840 -0.237 0.000 0.882 315 L CB 0.233 41.912 42.059 -0.633 0.000 1.133 315 L HN 0.695 nan 8.230 nan 0.000 0.483 316 P HA 0.046 nan 4.420 nan 0.000 0.276 316 P C -0.154 177.240 177.300 0.157 0.000 1.252 316 P CA -0.529 62.614 63.100 0.071 0.000 0.802 316 P CB 0.953 32.676 31.700 0.037 0.000 1.035 317 Q N 0.656 120.569 119.800 0.188 0.000 2.135 317 Q HA -0.185 4.152 4.340 -0.005 0.000 0.204 317 Q C 1.335 177.432 176.000 0.163 0.000 0.981 317 Q CA 1.989 57.938 55.803 0.243 0.000 0.856 317 Q CB -1.027 27.800 28.738 0.148 0.000 0.902 317 Q HN 0.341 nan 8.270 nan 0.000 0.425 318 D N -0.847 119.591 120.400 0.064 0.000 2.149 318 D HA -0.173 4.464 4.640 -0.005 0.000 0.198 318 D C 1.444 177.705 176.300 -0.064 0.000 0.990 318 D CA 0.946 54.930 54.000 -0.026 0.000 0.839 318 D CB -0.366 40.392 40.800 -0.070 0.000 0.948 318 D HN 0.326 nan 8.370 nan 0.000 0.460 319 F N -0.204 119.629 119.950 -0.195 0.000 2.069 319 F HA -0.211 4.314 4.527 -0.004 0.000 0.298 319 F C 1.963 177.578 175.800 -0.309 0.000 1.113 319 F CA 1.689 59.492 58.000 -0.330 0.000 1.214 319 F CB -0.532 38.155 39.000 -0.521 0.000 0.978 319 F HN 0.011 nan 8.300 nan 0.000 0.474 320 W N 0.758 122.122 121.300 0.107 0.000 2.381 320 W HA -0.158 4.496 4.660 -0.009 0.000 0.301 320 W C 2.266 178.715 176.519 -0.117 0.000 1.205 320 W CA 0.796 58.138 57.345 -0.006 0.000 1.285 320 W CB -0.590 28.924 29.460 0.089 0.000 1.133 320 W HN -0.030 nan 8.180 nan 0.000 0.521 321 D N 0.039 120.502 120.400 0.105 0.000 2.144 321 D HA -0.113 4.524 4.640 -0.005 0.000 0.200 321 D C 1.639 177.887 176.300 -0.087 0.000 0.978 321 D CA 1.420 55.425 54.000 0.008 0.000 0.833 321 D CB -0.274 40.521 40.800 -0.009 0.000 0.961 321 D HN 0.254 nan 8.370 nan 0.000 0.470 322 K N -0.279 120.005 120.400 -0.193 0.000 2.391 322 K HA 0.197 4.514 4.320 -0.005 0.000 0.197 322 K C 0.628 177.073 176.600 -0.258 0.000 1.087 322 K CA -0.103 56.026 56.287 -0.263 0.000 1.012 322 K CB 0.898 33.143 32.500 -0.426 0.000 0.925 322 K HN -0.140 nan 8.250 nan 0.000 0.547 323 S N 1.275 116.743 115.700 -0.388 0.000 2.579 323 S HA 0.210 4.677 4.470 -0.005 0.000 0.275 323 S C 0.182 174.703 174.600 -0.131 0.000 1.345 323 S CA -0.087 57.894 58.200 -0.365 0.000 1.031 323 S CB 0.555 63.176 63.200 -0.966 0.000 0.892 323 S HN 0.112 nan 8.310 nan 0.000 0.529 324 I N 2.783 123.344 120.570 -0.015 0.000 2.354 324 I HA 0.290 4.457 4.170 -0.005 0.000 0.286 324 I C 0.619 176.677 176.117 -0.097 0.000 1.007 324 I CA -0.120 61.150 61.300 -0.050 0.000 1.167 324 I CB 0.912 38.875 38.000 -0.062 0.000 1.320 324 I HN 0.647 nan 8.210 nan 0.000 0.458 325 I N 1.356 121.852 120.570 -0.122 0.000 4.025 325 I HA 0.475 4.642 4.170 -0.005 0.000 0.336 325 I C 0.014 176.162 176.117 0.053 0.000 1.390 325 I CA 0.003 61.239 61.300 -0.107 0.000 1.099 325 I CB 0.235 38.014 38.000 -0.367 0.000 1.049 325 I HN 0.402 nan 8.210 nan 0.000 0.394 326 E N 1.872 122.089 120.200 0.028 0.000 2.356 326 E HA 0.351 4.698 4.350 -0.005 0.000 0.275 326 E C -1.208 175.404 176.600 0.019 0.000 0.904 326 E CA -1.020 55.407 56.400 0.046 0.000 0.757 326 E CB 2.647 32.374 29.700 0.044 0.000 1.232 326 E HN 0.091 nan 8.360 nan 0.000 0.442 327 K N 2.799 123.213 120.400 0.023 0.000 2.447 327 K HA 0.130 4.446 4.320 -0.005 0.000 0.281 327 K C -2.259 174.340 176.600 -0.003 0.000 1.031 327 K CA -1.155 55.135 56.287 0.005 0.000 1.019 327 K CB 0.175 32.682 32.500 0.012 0.000 0.918 327 K HN 0.115 nan 8.250 nan 0.000 0.476 328 P HA -0.044 nan 4.420 nan 0.000 0.267 328 P C 0.052 177.347 177.300 -0.009 0.000 1.200 328 P CA -0.008 63.081 63.100 -0.019 0.000 0.772 328 P CB 0.743 32.422 31.700 -0.036 0.000 0.855 329 T N -2.750 111.802 114.554 -0.005 0.000 3.060 329 T HA 0.052 4.399 4.350 -0.005 0.000 0.249 329 T C 0.435 175.135 174.700 -0.001 0.000 1.079 329 T CA -0.232 61.868 62.100 0.000 0.000 1.013 329 T CB -0.585 68.286 68.868 0.004 0.000 0.975 329 T HN 0.411 nan 8.240 nan 0.000 0.518 330 D N 1.499 121.896 120.400 -0.005 0.000 2.414 330 D HA 0.360 4.997 4.640 -0.005 0.000 0.259 330 D C 1.587 177.885 176.300 -0.004 0.000 1.269 330 D CA -0.288 53.709 54.000 -0.004 0.000 1.028 330 D CB -0.180 40.616 40.800 -0.007 0.000 1.093 330 D HN 0.066 nan 8.370 nan 0.000 0.545 331 G N -1.656 107.143 108.800 -0.002 0.000 2.920 331 G HA2 -0.100 3.856 3.960 -0.005 0.000 0.208 331 G HA3 -0.100 3.856 3.960 -0.005 0.000 0.208 331 G C 0.659 175.556 174.900 -0.004 0.000 1.159 331 G CA -0.176 44.924 45.100 0.000 0.000 0.784 331 G HN 0.594 nan 8.290 nan 0.000 0.535 332 R N 0.670 121.163 120.500 -0.012 0.000 2.694 332 R HA 0.147 4.484 4.340 -0.005 0.000 0.268 332 R C -1.368 174.916 176.300 -0.027 0.000 1.061 332 R CA -0.199 55.889 56.100 -0.021 0.000 1.133 332 R CB 0.604 30.884 30.300 -0.033 0.000 1.020 332 R HN -0.107 nan 8.270 nan 0.000 0.475 333 D N 2.868 123.249 120.400 -0.032 0.000 2.210 333 D HA 0.398 5.035 4.640 -0.005 0.000 0.249 333 D C 0.113 176.364 176.300 -0.082 0.000 1.062 333 D CA -0.207 53.769 54.000 -0.040 0.000 0.891 333 D CB 1.541 42.325 40.800 -0.028 0.000 1.186 333 D HN 0.532 nan 8.370 nan 0.000 0.432 334 L N -2.212 118.965 121.223 -0.077 0.000 2.600 334 L HA 0.573 4.909 4.340 -0.005 0.000 0.257 334 L C -1.300 175.537 176.870 -0.056 0.000 1.048 334 L CA -1.108 53.661 54.840 -0.117 0.000 0.869 334 L CB 1.543 43.524 42.059 -0.129 0.000 1.482 334 L HN -0.027 nan 8.230 nan 0.000 0.408 335 V N 0.901 120.780 119.914 -0.058 0.000 2.372 335 V HA 0.103 4.220 4.120 -0.005 0.000 0.261 335 V C 0.819 176.931 176.094 0.029 0.000 1.055 335 V CA -0.097 62.232 62.300 0.049 0.000 0.930 335 V CB 0.572 32.458 31.823 0.105 0.000 1.031 335 V HN 0.979 nan 8.190 nan 0.000 0.479 336 c N 3.314 121.950 118.600 0.059 0.000 2.514 336 c HA 0.050 4.617 4.570 -0.005 0.000 0.271 336 c C 1.455 175.560 174.090 0.024 0.000 1.399 336 c CA -0.037 56.314 56.329 0.037 0.000 1.765 336 c CB -1.337 41.199 42.510 0.043 0.000 1.893 336 c HN 0.938 nan 8.230 nan 0.000 0.531 337 H N 0.989 119.992 119.070 -0.112 0.000 3.107 337 H HA 0.345 4.898 4.556 -0.005 0.000 0.301 337 H C 0.639 175.872 175.328 -0.157 0.000 0.981 337 H CA 0.436 56.317 56.048 -0.278 0.000 1.443 337 H CB 0.420 29.616 29.762 -0.944 0.000 1.479 337 H HN 0.461 nan 8.280 nan 0.000 0.564 338 A N 4.543 127.226 122.820 -0.229 0.000 2.540 338 A HA 0.390 4.706 4.320 -0.005 0.000 0.239 338 A C -0.081 177.621 177.584 0.197 0.000 1.061 338 A CA 0.490 52.547 52.037 0.034 0.000 0.758 338 A CB -0.067 18.955 19.000 0.037 0.000 0.991 338 A HN 0.868 nan 8.150 nan 0.000 0.502 339 S N 0.275 116.170 115.700 0.325 0.000 2.550 339 S HA 0.798 5.265 4.470 -0.005 0.000 0.270 339 S C -0.695 174.216 174.600 0.520 0.000 1.145 339 S CA -0.171 58.255 58.200 0.377 0.000 0.852 339 S CB 1.463 64.894 63.200 0.385 0.000 1.119 339 S HN 2.149 nan 8.310 nan 0.000 0.465 340 A N 0.912 123.962 122.820 0.383 0.000 2.365 340 A HA 0.811 5.128 4.320 -0.005 0.000 0.318 340 A C -1.804 176.047 177.584 0.447 0.000 1.091 340 A CA -0.718 51.642 52.037 0.537 0.000 0.763 340 A CB 0.609 19.871 19.000 0.438 0.000 1.248 340 A HN 0.758 nan 8.150 nan 0.000 0.442 341 W N 0.847 122.358 121.300 0.351 0.000 2.739 341 W HA 0.512 5.168 4.660 -0.007 0.000 0.331 341 W C -0.783 175.480 176.519 -0.428 0.000 1.049 341 W CA -0.237 57.071 57.345 -0.060 0.000 1.234 341 W CB 1.902 31.348 29.460 -0.024 0.000 1.404 341 W HN 0.654 nan 8.180 nan 0.000 0.477 342 D N 1.694 121.521 120.400 -0.955 0.000 2.256 342 D HA 0.322 4.959 4.640 -0.005 0.000 0.240 342 D C -0.309 175.349 176.300 -1.071 0.000 1.062 342 D CA -0.512 52.749 54.000 -1.231 0.000 0.832 342 D CB 1.025 40.620 40.800 -2.009 0.000 1.135 342 D HN 0.230 nan 8.370 nan 0.000 0.484 343 F N 2.194 121.855 119.950 -0.481 0.000 2.695 343 F HA 0.162 4.685 4.527 -0.006 0.000 0.303 343 F C 0.391 176.169 175.800 -0.037 0.000 1.091 343 F CA -0.373 57.503 58.000 -0.206 0.000 1.300 343 F CB -0.155 38.767 39.000 -0.131 0.000 1.071 343 F HN 0.419 nan 8.300 nan 0.000 0.578 344 Y N -1.248 119.109 120.300 0.095 0.000 4.177 344 Y HA -0.294 4.253 4.550 -0.006 0.000 0.227 344 Y C 0.718 176.685 175.900 0.112 0.000 1.154 344 Y CA -0.244 57.927 58.100 0.119 0.000 1.887 344 Y CB -2.230 36.337 38.460 0.178 0.000 1.594 344 Y HN 0.063 nan 8.280 nan 0.000 0.668 345 L N -1.414 119.921 121.223 0.186 0.000 2.665 345 L HA 0.543 4.880 4.340 -0.005 0.000 0.201 345 L C 0.765 177.702 176.870 0.110 0.000 1.805 345 L CA -0.453 54.464 54.840 0.128 0.000 3.015 345 L CB 0.316 42.424 42.059 0.083 0.000 2.866 345 L HN -0.077 nan 8.230 nan 0.000 0.765 346 T N -0.092 114.508 114.554 0.077 0.000 2.809 346 T HA 0.262 4.609 4.350 -0.005 0.000 0.284 346 T C -0.821 173.910 174.700 0.051 0.000 0.992 346 T CA -0.368 61.776 62.100 0.073 0.000 0.957 346 T CB 1.361 70.267 68.868 0.064 0.000 0.942 346 T HN 0.501 nan 8.240 nan 0.000 0.439 347 D N 0.927 121.361 120.400 0.057 0.000 3.046 347 D HA -0.133 4.504 4.640 -0.005 0.000 0.210 347 D C -0.102 176.215 176.300 0.027 0.000 1.124 347 D CA 1.153 55.178 54.000 0.042 0.000 0.986 347 D CB -0.548 40.272 40.800 0.033 0.000 1.118 347 D HN 0.596 nan 8.370 nan 0.000 0.416 348 D N 0.649 121.063 120.400 0.023 0.000 2.479 348 D HA 0.333 4.970 4.640 -0.005 0.000 0.218 348 D C -0.288 176.065 176.300 0.088 0.000 1.131 348 D CA -0.368 53.618 54.000 -0.023 0.000 0.916 348 D CB 0.289 41.034 40.800 -0.093 0.000 1.022 348 D HN 0.096 nan 8.370 nan 0.000 0.515 349 V N 1.053 121.032 119.914 0.109 0.000 2.876 349 V HA 0.786 4.903 4.120 -0.005 0.000 0.312 349 V C -0.455 175.788 176.094 0.248 0.000 1.085 349 V CA -0.988 61.460 62.300 0.246 0.000 0.945 349 V CB 2.181 34.179 31.823 0.292 0.000 1.017 349 V HN 0.285 nan 8.190 nan 0.000 0.428 350 R N 2.768 123.455 120.500 0.312 0.000 2.707 350 R HA 0.745 5.082 4.340 -0.005 0.000 0.272 350 R C -1.600 174.901 176.300 0.334 0.000 1.011 350 R CA -0.721 55.406 56.100 0.045 0.000 0.893 350 R CB 2.763 32.817 30.300 -0.409 0.000 1.233 350 R HN 0.774 nan 8.270 nan 0.000 0.464 351 I N 1.275 121.928 120.570 0.138 0.000 2.530 351 I HA 0.360 4.527 4.170 -0.005 0.000 0.297 351 I C -0.508 175.793 176.117 0.306 0.000 1.011 351 I CA -0.711 60.811 61.300 0.371 0.000 1.107 351 I CB 2.095 40.360 38.000 0.441 0.000 1.285 351 I HN 0.348 nan 8.210 nan 0.000 0.436 352 K N 6.127 126.755 120.400 0.381 0.000 2.449 352 K HA 0.445 4.762 4.320 -0.005 0.000 0.257 352 K C -1.174 175.527 176.600 0.169 0.000 0.989 352 K CA -0.469 55.909 56.287 0.150 0.000 0.916 352 K CB 1.103 33.539 32.500 -0.106 0.000 1.136 352 K HN 0.599 nan 8.250 nan 0.000 0.439 353 Q N 3.910 123.793 119.800 0.139 0.000 2.289 353 Q HA 0.299 4.636 4.340 -0.005 0.000 0.270 353 Q C -1.383 174.690 176.000 0.121 0.000 1.038 353 Q CA -0.827 55.080 55.803 0.174 0.000 0.812 353 Q CB 1.679 30.621 28.738 0.340 0.000 1.300 353 Q HN 0.765 nan 8.270 nan 0.000 0.427 354 c N 3.866 122.515 118.600 0.082 0.000 2.861 354 c HA 0.249 4.816 4.570 -0.005 0.000 0.542 354 c C 0.240 174.382 174.090 0.088 0.000 1.074 354 c CA -0.347 56.020 56.329 0.064 0.000 1.232 354 c CB -1.833 40.698 42.510 0.034 0.000 1.433 354 c HN 0.615 nan 8.230 nan 0.000 0.606 355 T N 2.868 117.506 114.554 0.140 0.000 2.888 355 T HA 0.184 4.531 4.350 -0.005 0.000 0.301 355 T C 0.435 175.204 174.700 0.114 0.000 1.001 355 T CA 0.391 62.591 62.100 0.168 0.000 1.147 355 T CB 0.540 69.591 68.868 0.304 0.000 0.931 355 T HN 0.602 nan 8.240 nan 0.000 0.541 356 R N 1.426 121.976 120.500 0.083 0.000 2.832 356 R HA 0.538 4.875 4.340 -0.005 0.000 0.271 356 R C -0.708 175.625 176.300 0.054 0.000 0.996 356 R CA -0.967 55.169 56.100 0.059 0.000 0.977 356 R CB 1.519 31.838 30.300 0.032 0.000 1.168 356 R HN 0.360 nan 8.270 nan 0.000 0.482 357 V N 2.493 122.436 119.914 0.049 0.000 2.153 357 V HA 0.144 4.261 4.120 -0.005 0.000 0.250 357 V C 0.119 176.203 176.094 -0.015 0.000 1.334 357 V CA -0.039 62.288 62.300 0.043 0.000 1.249 357 V CB -0.503 31.363 31.823 0.071 0.000 1.371 357 V HN 0.921 nan 8.190 nan 0.000 0.498 358 T N -0.614 113.914 114.554 -0.044 0.000 2.883 358 T HA 0.357 4.703 4.350 -0.005 0.000 0.296 358 T C 0.633 175.231 174.700 -0.171 0.000 1.117 358 T CA -0.516 61.530 62.100 -0.091 0.000 1.006 358 T CB 2.181 71.010 68.868 -0.064 0.000 1.191 358 T HN 0.259 nan 8.240 nan 0.000 0.508 359 Q N 0.230 119.896 119.800 -0.225 0.000 2.061 359 Q HA -0.200 4.137 4.340 -0.005 0.000 0.204 359 Q C 1.586 177.212 176.000 -0.624 0.000 0.984 359 Q CA 2.490 58.041 55.803 -0.419 0.000 0.846 359 Q CB -0.414 28.131 28.738 -0.321 0.000 0.902 359 Q HN 0.864 nan 8.270 nan 0.000 0.421 360 D N -0.586 119.633 120.400 -0.303 0.000 2.123 360 D HA -0.201 4.436 4.640 -0.005 0.000 0.196 360 D C 1.975 178.206 176.300 -0.115 0.000 0.992 360 D CA 1.260 55.180 54.000 -0.134 0.000 0.833 360 D CB 0.077 40.882 40.800 0.007 0.000 0.954 360 D HN 0.258 nan 8.370 nan 0.000 0.455 361 Q N -0.468 119.264 119.800 -0.113 0.000 2.167 361 Q HA -0.094 4.242 4.340 -0.005 0.000 0.202 361 Q C 2.240 178.197 176.000 -0.073 0.000 0.970 361 Q CA 0.408 56.178 55.803 -0.054 0.000 0.855 361 Q CB -0.291 28.435 28.738 -0.021 0.000 0.911 361 Q HN 0.358 nan 8.270 nan 0.000 0.438 362 L N 0.114 121.231 121.223 -0.176 0.000 2.083 362 L HA -0.150 4.187 4.340 -0.005 0.000 0.209 362 L C 1.835 178.736 176.870 0.052 0.000 1.083 362 L CA 1.524 56.298 54.840 -0.110 0.000 0.752 362 L CB -0.475 41.454 42.059 -0.217 0.000 0.899 362 L HN 0.020 nan 8.230 nan 0.000 0.433 363 F N -0.807 119.149 119.950 0.010 0.000 2.163 363 F HA -0.098 4.425 4.527 -0.006 0.000 0.297 363 F C 2.509 178.327 175.800 0.031 0.000 1.094 363 F CA 1.357 59.340 58.000 -0.028 0.000 1.290 363 F CB -1.850 37.097 39.000 -0.088 0.000 1.017 363 F HN 0.007 nan 8.300 nan 0.000 0.483 364 T N 0.095 114.759 114.554 0.183 0.000 2.746 364 T HA -0.132 4.215 4.350 -0.005 0.000 0.267 364 T C 2.363 177.143 174.700 0.133 0.000 1.039 364 T CA 1.369 63.549 62.100 0.132 0.000 1.142 364 T CB -0.664 68.241 68.868 0.062 0.000 0.866 364 T HN 0.040 nan 8.240 nan 0.000 0.444 365 V N 1.101 121.021 119.914 0.011 0.000 2.287 365 V HA -0.245 3.872 4.120 -0.005 0.000 0.248 365 V C 2.274 178.296 176.094 -0.120 0.000 1.053 365 V CA 1.941 64.103 62.300 -0.229 0.000 1.027 365 V CB -0.696 30.784 31.823 -0.571 0.000 0.646 365 V HN 0.558 nan 8.190 nan 0.000 0.447 366 H N -1.403 117.649 119.070 -0.030 0.000 2.389 366 H HA -0.143 4.410 4.556 -0.005 0.000 0.299 366 H C 2.236 177.570 175.328 0.010 0.000 1.081 366 H CA 1.852 57.892 56.048 -0.014 0.000 1.345 366 H CB -0.321 29.377 29.762 -0.107 0.000 1.393 366 H HN 0.648 nan 8.280 nan 0.000 0.520 367 H N 0.787 119.900 119.070 0.071 0.000 2.290 367 H HA -0.119 4.435 4.556 -0.004 0.000 0.298 367 H C 1.868 177.203 175.328 0.012 0.000 1.087 367 H CA 1.882 57.932 56.048 0.004 0.000 1.291 367 H CB 0.283 30.071 29.762 0.044 0.000 1.369 367 H HN 0.230 nan 8.280 nan 0.000 0.492 368 E N 0.437 120.776 120.200 0.232 0.000 2.106 368 E HA -0.117 4.230 4.350 -0.005 0.000 0.192 368 E C 2.541 179.223 176.600 0.136 0.000 0.984 368 E CA 0.812 57.392 56.400 0.301 0.000 0.806 368 E CB -0.221 29.723 29.700 0.406 0.000 0.750 368 E HN 0.561 nan 8.360 nan 0.000 0.458 369 L N 0.292 121.541 121.223 0.044 0.000 2.275 369 L HA -0.043 4.293 4.340 -0.005 0.000 0.215 369 L C 2.392 179.063 176.870 -0.332 0.000 1.119 369 L CA 0.884 55.645 54.840 -0.133 0.000 0.790 369 L CB -0.582 41.422 42.059 -0.092 0.000 0.919 369 L HN 0.165 nan 8.230 nan 0.000 0.443 370 G N -1.023 107.685 108.800 -0.152 0.000 2.418 370 G HA2 -0.248 3.708 3.960 -0.005 0.000 0.217 370 G HA3 -0.248 3.708 3.960 -0.005 0.000 0.217 370 G C 1.365 176.045 174.900 -0.366 0.000 1.158 370 G CA 0.415 45.385 45.100 -0.215 0.000 0.771 370 G HN 0.338 nan 8.290 nan 0.000 0.545 371 H N 0.572 119.476 119.070 -0.276 0.000 2.319 371 H HA -0.044 4.509 4.556 -0.006 0.000 0.299 371 H C 2.787 177.584 175.328 -0.885 0.000 1.092 371 H CA 1.147 56.952 56.048 -0.405 0.000 1.302 371 H CB -0.233 29.356 29.762 -0.289 0.000 1.373 371 H HN 0.186 nan 8.280 nan 0.000 0.497 372 I N 0.955 121.269 120.570 -0.426 0.000 2.163 372 I HA -0.258 3.909 4.170 -0.005 0.000 0.243 372 I C 2.609 178.495 176.117 -0.385 0.000 1.085 372 I CA 1.228 62.342 61.300 -0.310 0.000 1.347 372 I CB -1.031 36.855 38.000 -0.189 0.000 1.044 372 I HN 0.220 nan 8.210 nan 0.000 0.408 373 Q N 0.448 119.920 119.800 -0.546 0.000 2.096 373 Q HA -0.239 4.098 4.340 -0.005 0.000 0.204 373 Q C 2.318 178.121 176.000 -0.328 0.000 0.982 373 Q CA 1.764 57.251 55.803 -0.527 0.000 0.850 373 Q CB -0.677 27.573 28.738 -0.815 0.000 0.901 373 Q HN 0.570 nan 8.270 nan 0.000 0.422 374 Y N -0.939 119.046 120.300 -0.526 0.000 2.128 374 Y HA -0.291 4.255 4.550 -0.006 0.000 0.284 374 Y C 1.565 176.940 175.900 -0.875 0.000 1.154 374 Y CA 0.864 58.600 58.100 -0.607 0.000 1.149 374 Y CB -0.035 37.956 38.460 -0.782 0.000 0.976 374 Y HN 0.168 nan 8.280 nan 0.000 0.505 375 F N 0.009 119.683 119.950 -0.460 0.000 2.091 375 F HA -0.299 4.224 4.527 -0.007 0.000 0.299 375 F C 2.159 177.737 175.800 -0.371 0.000 1.103 375 F CA 1.220 58.895 58.000 -0.542 0.000 1.228 375 F CB -1.342 37.562 39.000 -0.160 0.000 0.984 375 F HN 0.046 nan 8.300 nan 0.000 0.477 376 L N -0.772 120.430 121.223 -0.036 0.000 2.093 376 L HA -0.179 4.157 4.340 -0.005 0.000 0.208 376 L C 2.569 179.465 176.870 0.043 0.000 1.085 376 L CA 0.939 55.781 54.840 0.003 0.000 0.755 376 L CB -0.701 41.330 42.059 -0.048 0.000 0.904 376 L HN 0.118 nan 8.230 nan 0.000 0.435 377 Q N -0.104 119.696 119.800 0.000 0.000 2.167 377 Q HA -0.173 4.164 4.340 -0.005 0.000 0.202 377 Q C 1.649 177.845 176.000 0.328 0.000 0.970 377 Q CA 1.443 57.328 55.803 0.138 0.000 0.855 377 Q CB -0.064 28.738 28.738 0.107 0.000 0.911 377 Q HN 0.734 nan 8.270 nan 0.000 0.438 378 Y N -0.559 119.925 120.300 0.306 0.000 2.507 378 Y HA 0.269 4.816 4.550 -0.006 0.000 0.254 378 Y C 1.590 177.574 175.900 0.140 0.000 1.171 378 Y CA -0.317 57.913 58.100 0.218 0.000 1.238 378 Y CB -0.859 37.689 38.460 0.147 0.000 1.148 378 Y HN 0.075 nan 8.280 nan 0.000 0.525 379 Q N 0.847 120.912 119.800 0.442 0.000 2.364 379 Q HA -0.195 4.142 4.340 -0.005 0.000 0.209 379 Q C 1.275 177.442 176.000 0.279 0.000 0.977 379 Q CA 1.737 57.747 55.803 0.346 0.000 0.885 379 Q CB -0.867 28.016 28.738 0.242 0.000 0.941 379 Q HN 0.738 nan 8.270 nan 0.000 0.464 380 H N -0.681 118.505 119.070 0.194 0.000 2.548 380 H HA 0.180 4.738 4.556 0.004 0.000 0.268 380 H C 0.127 175.541 175.328 0.142 0.000 0.975 380 H CA -0.076 56.059 56.048 0.146 0.000 1.195 380 H CB 0.028 29.866 29.762 0.126 0.000 1.397 380 H HN 0.169 nan 8.280 nan 0.000 0.572 381 Q N 2.589 122.168 119.800 -0.368 0.000 2.417 381 Q HA 0.214 4.551 4.340 -0.005 0.000 0.241 381 Q C -2.051 173.918 176.000 -0.052 0.000 1.008 381 Q CA -1.766 53.901 55.803 -0.226 0.000 0.901 381 Q CB 0.719 29.358 28.738 -0.167 0.000 1.259 381 Q HN 0.324 nan 8.270 nan 0.000 0.489 382 P HA -0.089 nan 4.420 nan 0.000 0.268 382 P C 0.505 177.740 177.300 -0.108 0.000 1.208 382 P CA 0.035 63.076 63.100 -0.098 0.000 0.777 382 P CB 0.335 31.895 31.700 -0.234 0.000 0.875 383 F N 3.572 123.407 119.950 -0.193 0.000 2.085 383 F HA -0.288 4.235 4.527 -0.006 0.000 0.299 383 F C 1.874 177.529 175.800 -0.242 0.000 1.096 383 F CA 2.557 60.440 58.000 -0.194 0.000 1.227 383 F CB -0.961 37.901 39.000 -0.229 0.000 0.983 383 F HN 0.119 nan 8.300 nan 0.000 0.482 384 V N -2.237 117.442 119.914 -0.391 0.000 2.720 384 V HA -0.251 3.866 4.120 -0.005 0.000 0.256 384 V C 1.635 177.504 176.094 -0.375 0.000 1.082 384 V CA 1.515 63.525 62.300 -0.484 0.000 1.101 384 V CB -1.594 29.980 31.823 -0.415 0.000 0.693 384 V HN 0.420 nan 8.190 nan 0.000 0.479 385 Y N 0.691 120.773 120.300 -0.363 0.000 2.457 385 Y HA 0.425 4.971 4.550 -0.007 0.000 0.263 385 Y C 1.650 177.214 175.900 -0.558 0.000 1.164 385 Y CA -0.914 56.965 58.100 -0.369 0.000 1.274 385 Y CB -0.349 37.954 38.460 -0.261 0.000 1.097 385 Y HN 0.273 nan 8.280 nan 0.000 0.523 386 R N 0.520 120.732 120.500 -0.481 0.000 4.138 386 R HA 0.257 4.594 4.340 -0.005 0.000 0.206 386 R C 0.086 175.886 176.300 -0.833 0.000 1.667 386 R CA 0.146 55.807 56.100 -0.731 0.000 1.481 386 R CB -0.031 30.182 30.300 -0.145 0.000 1.388 386 R HN -0.000 nan 8.270 nan 0.000 0.776 387 T N -1.499 112.416 114.554 -1.066 0.000 2.693 387 T HA 0.410 4.757 4.350 -0.005 0.000 0.304 387 T C -0.359 174.068 174.700 -0.455 0.000 1.471 387 T CA -0.437 61.374 62.100 -0.483 0.000 0.993 387 T CB 1.274 69.980 68.868 -0.270 0.000 1.554 387 T HN 0.424 nan 8.240 nan 0.000 0.496 388 G N 0.418 109.148 108.800 -0.117 0.000 2.594 388 G HA2 0.480 4.437 3.960 -0.005 0.000 0.243 388 G HA3 0.480 4.437 3.960 -0.005 0.000 0.243 388 G C 1.343 176.162 174.900 -0.136 0.000 1.229 388 G CA 0.198 45.173 45.100 -0.209 0.000 0.843 388 G HN 1.054 nan 8.290 nan 0.000 0.578 389 A N 1.586 124.354 122.820 -0.086 0.000 1.917 389 A HA -0.016 4.301 4.320 -0.005 0.000 0.219 389 A C 1.297 178.718 177.584 -0.272 0.000 1.182 389 A CA 2.111 53.975 52.037 -0.287 0.000 0.633 389 A CB -0.580 18.016 19.000 -0.674 0.000 0.819 389 A HN 1.071 nan 8.150 nan 0.000 0.448 390 N N -4.260 114.293 118.700 -0.245 0.000 2.732 390 N HA 0.437 5.174 4.740 -0.005 0.000 0.259 390 N C -2.943 172.544 175.510 -0.039 0.000 1.402 390 N CA -1.817 51.116 53.050 -0.195 0.000 0.829 390 N CB 0.565 38.874 38.487 -0.298 0.000 1.495 390 N HN -0.262 nan 8.380 nan 0.000 0.511 391 P HA -0.003 nan 4.420 nan 0.000 0.218 391 P C 1.262 178.630 177.300 0.113 0.000 1.148 391 P CA 1.957 65.014 63.100 -0.072 0.000 0.822 391 P CB -0.094 31.466 31.700 -0.232 0.000 0.784 392 G N -1.594 107.343 108.800 0.228 0.000 2.422 392 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.218 392 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.218 392 G C 1.326 176.398 174.900 0.287 0.000 1.146 392 G CA 0.221 45.459 45.100 0.230 0.000 0.769 392 G HN 0.205 nan 8.290 nan 0.000 0.547 393 F N -0.030 120.028 119.950 0.180 0.000 2.126 393 F HA -0.088 4.435 4.527 -0.006 0.000 0.299 393 F C 2.724 178.734 175.800 0.350 0.000 1.096 393 F CA 1.333 59.516 58.000 0.304 0.000 1.255 393 F CB -0.132 39.082 39.000 0.356 0.000 0.997 393 F HN 0.128 nan 8.300 nan 0.000 0.479 394 H N 0.470 119.843 119.070 0.505 0.000 2.353 394 H HA -0.120 4.434 4.556 -0.004 0.000 0.300 394 H C 2.021 177.440 175.328 0.151 0.000 1.090 394 H CA 1.581 57.886 56.048 0.428 0.000 1.327 394 H CB 0.013 29.939 29.762 0.274 0.000 1.383 394 H HN 0.217 nan 8.280 nan 0.000 0.508 395 E N 0.073 120.438 120.200 0.274 0.000 2.274 395 E HA -0.026 4.321 4.350 -0.005 0.000 0.194 395 E C 2.191 178.800 176.600 0.016 0.000 0.996 395 E CA 0.674 57.156 56.400 0.137 0.000 0.840 395 E CB -0.130 29.666 29.700 0.159 0.000 0.772 395 E HN 0.448 nan 8.360 nan 0.000 0.491 396 A N 0.847 123.690 122.820 0.038 0.000 1.970 396 A HA -0.032 4.285 4.320 -0.005 0.000 0.216 396 A C 2.520 180.063 177.584 -0.068 0.000 1.170 396 A CA 0.612 52.646 52.037 -0.004 0.000 0.645 396 A CB -0.360 18.690 19.000 0.084 0.000 0.816 396 A HN 0.102 nan 8.150 nan 0.000 0.447 397 V N 0.229 120.073 119.914 -0.118 0.000 2.231 397 V HA -0.248 3.869 4.120 -0.005 0.000 0.248 397 V C 2.832 178.784 176.094 -0.236 0.000 1.054 397 V CA 2.232 64.431 62.300 -0.169 0.000 1.015 397 V CB -1.562 30.102 31.823 -0.266 0.000 0.638 397 V HN 0.561 nan 8.190 nan 0.000 0.444 398 G N -0.670 107.958 108.800 -0.287 0.000 2.432 398 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.219 398 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.219 398 G C 1.161 175.922 174.900 -0.232 0.000 1.135 398 G CA 1.002 45.969 45.100 -0.221 0.000 0.767 398 G HN 0.531 nan 8.290 nan 0.000 0.550 399 D N 0.051 120.307 120.400 -0.239 0.000 2.178 399 D HA -0.044 4.592 4.640 -0.005 0.000 0.202 399 D C 2.702 178.731 176.300 -0.452 0.000 0.974 399 D CA 0.271 54.071 54.000 -0.335 0.000 0.841 399 D CB -0.138 40.437 40.800 -0.376 0.000 0.953 399 D HN 0.199 nan 8.370 nan 0.000 0.478 400 V N 0.933 120.652 119.914 -0.324 0.000 2.332 400 V HA -0.220 3.897 4.120 -0.005 0.000 0.248 400 V C 2.478 178.399 176.094 -0.288 0.000 1.055 400 V CA 1.198 63.364 62.300 -0.223 0.000 1.038 400 V CB -0.432 31.459 31.823 0.113 0.000 0.651 400 V HN 0.275 nan 8.190 nan 0.000 0.450 401 L N -0.474 120.483 121.223 -0.444 0.000 2.109 401 L HA -0.099 4.237 4.340 -0.005 0.000 0.207 401 L C 2.606 179.030 176.870 -0.743 0.000 1.086 401 L CA 1.488 55.890 54.840 -0.729 0.000 0.760 401 L CB -0.858 40.580 42.059 -1.034 0.000 0.910 401 L HN 0.316 nan 8.230 nan 0.000 0.437 402 S N 0.444 115.790 115.700 -0.590 0.000 2.382 402 S HA -0.126 4.341 4.470 -0.005 0.000 0.228 402 S C 2.044 176.222 174.600 -0.703 0.000 1.027 402 S CA 1.126 58.968 58.200 -0.597 0.000 0.991 402 S CB -0.258 62.643 63.200 -0.499 0.000 0.823 402 S HN 0.291 nan 8.310 nan 0.000 0.469 403 L N 0.892 121.685 121.223 -0.717 0.000 2.083 403 L HA -0.126 4.210 4.340 -0.005 0.000 0.209 403 L C 2.511 179.100 176.870 -0.467 0.000 1.083 403 L CA 1.000 55.361 54.840 -0.797 0.000 0.752 403 L CB -0.476 40.764 42.059 -1.364 0.000 0.899 403 L HN 0.267 nan 8.230 nan 0.000 0.433 404 S N -0.839 114.701 115.700 -0.266 0.000 2.357 404 S HA -0.119 4.348 4.470 -0.005 0.000 0.221 404 S C 1.997 176.532 174.600 -0.108 0.000 1.031 404 S CA 0.992 59.196 58.200 0.007 0.000 0.982 404 S CB -0.145 63.140 63.200 0.143 0.000 0.853 404 S HN 0.145 nan 8.310 nan 0.000 0.458 405 V N 2.710 122.422 119.914 -0.336 0.000 2.469 405 V HA -0.165 3.951 4.120 -0.005 0.000 0.251 405 V C 2.616 178.752 176.094 0.071 0.000 1.064 405 V CA 1.930 64.075 62.300 -0.258 0.000 1.066 405 V CB -0.990 30.583 31.823 -0.417 0.000 0.667 405 V HN 0.707 nan 8.190 nan 0.000 0.461 406 S N 0.130 115.830 115.700 -0.001 0.000 2.481 406 S HA -0.068 4.399 4.470 -0.005 0.000 0.231 406 S C 1.184 175.819 174.600 0.058 0.000 0.996 406 S CA 0.651 58.905 58.200 0.090 0.000 0.942 406 S CB -0.911 62.132 63.200 -0.262 0.000 0.768 406 S HN 0.739 nan 8.310 nan 0.000 0.520 407 T N 0.008 114.590 114.554 0.048 0.000 2.930 407 T HA 0.318 4.665 4.350 -0.005 0.000 0.306 407 T C -1.867 172.839 174.700 0.009 0.000 1.045 407 T CA -1.363 60.768 62.100 0.051 0.000 1.134 407 T CB 0.707 69.635 68.868 0.100 0.000 0.961 407 T HN -0.051 nan 8.240 nan 0.000 0.545 408 P HA -0.127 nan 4.420 nan 0.000 0.216 408 P C 1.568 178.804 177.300 -0.106 0.000 1.150 408 P CA 1.089 64.035 63.100 -0.257 0.000 0.843 408 P CB 0.086 31.540 31.700 -0.411 0.000 0.787 409 K N -0.931 119.467 120.400 -0.002 0.000 2.020 409 K HA -0.271 4.046 4.320 -0.005 0.000 0.212 409 K C 2.198 178.821 176.600 0.038 0.000 1.050 409 K CA 1.832 58.141 56.287 0.036 0.000 0.929 409 K CB -0.598 31.947 32.500 0.076 0.000 0.714 409 K HN 0.130 nan 8.250 nan 0.000 0.443 410 H N 0.150 119.220 119.070 -0.001 0.000 2.357 410 H HA 0.007 4.559 4.556 -0.006 0.000 0.301 410 H C 1.934 177.239 175.328 -0.038 0.000 1.082 410 H CA 1.854 57.898 56.048 -0.006 0.000 1.342 410 H CB -0.045 29.758 29.762 0.068 0.000 1.389 410 H HN 0.151 nan 8.280 nan 0.000 0.511 411 L N 0.167 121.397 121.223 0.012 0.000 2.131 411 L HA -0.125 4.211 4.340 -0.005 0.000 0.210 411 L C 2.325 179.127 176.870 -0.113 0.000 1.092 411 L CA 1.277 56.086 54.840 -0.052 0.000 0.759 411 L CB -0.290 41.744 42.059 -0.042 0.000 0.903 411 L HN 0.435 nan 8.230 nan 0.000 0.435 412 E N 0.219 120.351 120.200 -0.113 0.000 2.106 412 E HA -0.201 4.146 4.350 -0.005 0.000 0.192 412 E C 2.135 178.668 176.600 -0.111 0.000 0.984 412 E CA 0.880 57.226 56.400 -0.090 0.000 0.806 412 E CB 0.038 29.707 29.700 -0.052 0.000 0.750 412 E HN 0.458 nan 8.360 nan 0.000 0.458 413 K N 0.820 121.117 120.400 -0.171 0.000 2.063 413 K HA -0.143 4.174 4.320 -0.005 0.000 0.208 413 K C 2.179 178.641 176.600 -0.231 0.000 1.048 413 K CA 1.445 57.601 56.287 -0.219 0.000 0.928 413 K CB -0.278 32.023 32.500 -0.332 0.000 0.713 413 K HN 0.290 nan 8.250 nan 0.000 0.442 414 I N -3.032 117.376 120.570 -0.270 0.000 3.812 414 I HA 0.267 4.434 4.170 -0.005 0.000 0.320 414 I C 0.694 176.777 176.117 -0.057 0.000 1.276 414 I CA 0.259 61.456 61.300 -0.171 0.000 1.164 414 I CB -0.016 37.885 38.000 -0.165 0.000 1.009 414 I HN 0.189 nan 8.210 nan 0.000 0.431 415 G N 2.062 110.822 108.800 -0.066 0.000 2.153 415 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.252 415 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.252 415 G C 0.579 175.461 174.900 -0.031 0.000 0.994 415 G CA 0.620 45.702 45.100 -0.031 0.000 0.698 415 G HN 0.506 nan 8.290 nan 0.000 0.521 416 L N -1.468 119.721 121.223 -0.056 0.000 2.416 416 L HA 0.406 4.743 4.340 -0.005 0.000 0.216 416 L C 0.992 177.815 176.870 -0.079 0.000 1.098 416 L CA 0.197 54.983 54.840 -0.090 0.000 0.840 416 L CB 0.237 42.223 42.059 -0.122 0.000 0.981 416 L HN 0.283 nan 8.230 nan 0.000 0.462 417 L N 0.913 122.095 121.223 -0.069 0.000 2.319 417 L HA 0.402 4.739 4.340 -0.005 0.000 0.281 417 L C -0.670 176.193 176.870 -0.013 0.000 1.005 417 L CA -0.145 54.660 54.840 -0.059 0.000 0.828 417 L CB 1.078 43.054 42.059 -0.139 0.000 1.227 417 L HN -0.092 nan 8.230 nan 0.000 0.415 418 K N 3.986 124.401 120.400 0.024 0.000 2.259 418 K HA 0.467 4.784 4.320 -0.005 0.000 0.249 418 K C -0.726 175.922 176.600 0.080 0.000 0.942 418 K CA -0.826 55.486 56.287 0.041 0.000 0.816 418 K CB 1.468 33.980 32.500 0.020 0.000 1.155 418 K HN 0.587 nan 8.250 nan 0.000 0.428 419 D N 1.084 121.528 120.400 0.073 0.000 2.708 419 D HA -0.249 4.388 4.640 -0.005 0.000 0.236 419 D C -0.952 175.407 176.300 0.099 0.000 1.146 419 D CA 1.091 55.131 54.000 0.066 0.000 0.662 419 D CB -1.214 39.609 40.800 0.038 0.000 1.059 419 D HN 0.454 nan 8.370 nan 0.000 0.428 420 Y N 0.228 120.525 120.300 -0.005 0.000 2.327 420 Y HA 0.390 4.938 4.550 -0.005 0.000 0.336 420 Y C -0.166 175.730 175.900 -0.007 0.000 1.035 420 Y CA -0.593 57.505 58.100 -0.003 0.000 1.165 420 Y CB 1.014 39.475 38.460 0.001 0.000 1.181 420 Y HN -0.139 nan 8.280 nan 0.000 0.494 421 V N 8.056 127.727 119.914 -0.406 0.000 2.347 421 V HA 0.347 4.464 4.120 -0.005 0.000 0.280 421 V C 0.116 175.902 176.094 -0.514 0.000 1.021 421 V CA -0.907 61.207 62.300 -0.311 0.000 0.847 421 V CB 1.253 32.954 31.823 -0.203 0.000 0.990 421 V HN 0.706 nan 8.190 nan 0.000 0.444 422 R N 3.751 124.099 120.500 -0.254 0.000 4.071 422 R HA 0.180 4.517 4.340 -0.005 0.000 0.220 422 R C -0.190 176.041 176.300 -0.116 0.000 1.614 422 R CA -0.442 55.572 56.100 -0.144 0.000 1.505 422 R CB -0.216 30.160 30.300 0.126 0.000 1.384 422 R HN 0.933 nan 8.270 nan 0.000 0.758 423 D N -0.323 119.968 120.400 -0.181 0.000 2.447 423 D HA 0.024 4.661 4.640 -0.005 0.000 0.265 423 D C 0.467 176.674 176.300 -0.155 0.000 1.250 423 D CA -0.535 53.375 54.000 -0.150 0.000 1.046 423 D CB 0.592 41.289 40.800 -0.171 0.000 1.095 423 D HN -0.007 nan 8.370 nan 0.000 0.555 424 D N -0.718 119.586 120.400 -0.161 0.000 2.149 424 D HA -0.151 4.486 4.640 -0.005 0.000 0.198 424 D C 1.618 177.748 176.300 -0.283 0.000 0.990 424 D CA 1.287 55.185 54.000 -0.170 0.000 0.839 424 D CB -0.062 40.654 40.800 -0.140 0.000 0.948 424 D HN 0.573 nan 8.370 nan 0.000 0.460 425 E N 0.235 120.166 120.200 -0.448 0.000 2.112 425 E HA 0.006 4.353 4.350 -0.005 0.000 0.190 425 E C 2.113 178.509 176.600 -0.340 0.000 0.979 425 E CA 0.729 56.661 56.400 -0.780 0.000 0.814 425 E CB -0.013 28.959 29.700 -1.214 0.000 0.762 425 E HN 0.187 nan 8.360 nan 0.000 0.460 426 A N 1.818 124.497 122.820 -0.236 0.000 1.933 426 A HA -0.196 4.121 4.320 -0.005 0.000 0.218 426 A C 2.118 179.707 177.584 0.009 0.000 1.175 426 A CA 1.273 53.245 52.037 -0.109 0.000 0.628 426 A CB -0.422 18.417 19.000 -0.269 0.000 0.814 426 A HN 0.053 nan 8.150 nan 0.000 0.444 427 R N -0.355 120.124 120.500 -0.036 0.000 2.081 427 R HA -0.103 4.234 4.340 -0.005 0.000 0.235 427 R C 1.834 178.134 176.300 0.000 0.000 1.131 427 R CA 1.582 57.687 56.100 0.008 0.000 0.960 427 R CB -0.293 29.992 30.300 -0.025 0.000 0.856 427 R HN 0.437 nan 8.270 nan 0.000 0.436 428 I N 1.886 122.408 120.570 -0.080 0.000 2.226 428 I HA -0.267 3.899 4.170 -0.005 0.000 0.245 428 I C 1.820 177.927 176.117 -0.017 0.000 1.100 428 I CA 1.303 62.519 61.300 -0.140 0.000 1.374 428 I CB -1.523 36.203 38.000 -0.457 0.000 1.057 428 I HN 0.215 nan 8.210 nan 0.000 0.413 429 N N 0.842 119.573 118.700 0.052 0.000 2.061 429 N HA -0.255 4.481 4.740 -0.005 0.000 0.193 429 N C 1.854 177.489 175.510 0.209 0.000 1.030 429 N CA 1.430 54.563 53.050 0.138 0.000 0.856 429 N CB -0.399 38.180 38.487 0.153 0.000 1.023 429 N HN 0.411 nan 8.380 nan 0.000 0.424 430 Q N 0.631 120.541 119.800 0.183 0.000 2.083 430 Q HA 0.086 4.423 4.340 -0.005 0.000 0.198 430 Q C 2.048 178.177 176.000 0.215 0.000 0.969 430 Q CA 1.080 56.997 55.803 0.190 0.000 0.838 430 Q CB -0.396 28.442 28.738 0.167 0.000 0.900 430 Q HN 0.383 nan 8.270 nan 0.000 0.436 431 L N -0.567 120.781 121.223 0.208 0.000 2.046 431 L HA -0.131 4.206 4.340 -0.005 0.000 0.208 431 L C 2.215 179.327 176.870 0.403 0.000 1.077 431 L CA 1.369 56.388 54.840 0.298 0.000 0.747 431 L CB -0.488 41.709 42.059 0.229 0.000 0.896 431 L HN 0.278 nan 8.230 nan 0.000 0.432 432 F N 0.049 120.105 119.950 0.176 0.000 2.134 432 F HA -0.273 4.251 4.527 -0.005 0.000 0.299 432 F C 2.290 178.197 175.800 0.178 0.000 1.097 432 F CA 1.375 59.470 58.000 0.158 0.000 1.264 432 F CB -0.021 39.032 39.000 0.089 0.000 1.001 432 F HN -0.046 nan 8.300 nan 0.000 0.479 433 L N 0.110 121.517 121.223 0.307 0.000 2.012 433 L HA -0.215 4.122 4.340 -0.005 0.000 0.210 433 L C 2.241 179.194 176.870 0.138 0.000 1.073 433 L CA 2.540 57.507 54.840 0.211 0.000 0.748 433 L CB -1.325 40.865 42.059 0.219 0.000 0.891 433 L HN 0.151 nan 8.230 nan 0.000 0.431 434 T N -0.041 114.633 114.554 0.200 0.000 2.746 434 T HA -0.156 4.190 4.350 -0.005 0.000 0.267 434 T C 1.898 176.721 174.700 0.205 0.000 1.039 434 T CA 1.379 63.611 62.100 0.219 0.000 1.142 434 T CB -0.610 68.460 68.868 0.337 0.000 0.866 434 T HN 0.542 nan 8.240 nan 0.000 0.444 435 A N 1.190 124.096 122.820 0.144 0.000 1.972 435 A HA 0.068 4.385 4.320 -0.005 0.000 0.219 435 A C 2.247 179.658 177.584 -0.288 0.000 1.169 435 A CA 0.982 52.843 52.037 -0.292 0.000 0.635 435 A CB -0.820 17.893 19.000 -0.479 0.000 0.810 435 A HN 0.492 nan 8.150 nan 0.000 0.446 436 L N -0.749 120.324 121.223 -0.251 0.000 2.265 436 L HA -0.177 4.160 4.340 -0.005 0.000 0.215 436 L C 1.631 178.432 176.870 -0.116 0.000 1.117 436 L CA 1.192 55.913 54.840 -0.198 0.000 0.782 436 L CB -0.366 41.670 42.059 -0.038 0.000 0.914 436 L HN 0.305 nan 8.230 nan 0.000 0.441 437 D N -0.936 119.446 120.400 -0.031 0.000 2.338 437 D HA -0.045 4.592 4.640 -0.005 0.000 0.224 437 D C 2.187 178.573 176.300 0.144 0.000 0.967 437 D CA 0.728 54.752 54.000 0.040 0.000 0.896 437 D CB 0.263 41.082 40.800 0.031 0.000 1.028 437 D HN 0.033 nan 8.370 nan 0.000 0.493 438 K N 0.272 120.748 120.400 0.127 0.000 2.202 438 K HA 0.144 4.461 4.320 -0.005 0.000 0.201 438 K C 1.922 178.642 176.600 0.200 0.000 1.051 438 K CA 0.261 56.728 56.287 0.300 0.000 0.977 438 K CB 0.421 33.116 32.500 0.326 0.000 0.792 438 K HN 0.134 nan 8.250 nan 0.000 0.469 439 I N 0.836 121.334 120.570 -0.120 0.000 2.339 439 I HA -0.109 4.058 4.170 -0.005 0.000 0.245 439 I C 2.361 178.444 176.117 -0.056 0.000 1.096 439 I CA 0.663 61.871 61.300 -0.154 0.000 1.408 439 I CB -1.038 36.753 38.000 -0.348 0.000 1.092 439 I HN -0.230 nan 8.210 nan 0.000 0.423 440 V N 1.170 120.997 119.914 -0.145 0.000 2.380 440 V HA -0.317 3.800 4.120 -0.005 0.000 0.251 440 V C 2.431 178.398 176.094 -0.212 0.000 1.063 440 V CA 1.945 64.070 62.300 -0.291 0.000 1.055 440 V CB -0.816 30.487 31.823 -0.868 0.000 0.657 440 V HN 0.294 nan 8.190 nan 0.000 0.455 441 F N -0.024 119.787 119.950 -0.232 0.000 2.293 441 F HA -0.113 4.411 4.527 -0.005 0.000 0.300 441 F C 1.944 177.653 175.800 -0.151 0.000 1.086 441 F CA 1.302 59.175 58.000 -0.213 0.000 1.375 441 F CB -0.141 38.623 39.000 -0.392 0.000 1.045 441 F HN 0.059 nan 8.300 nan 0.000 0.516 442 L N 0.936 122.126 121.223 -0.055 0.000 1.989 442 L HA -0.180 4.157 4.340 -0.005 0.000 0.211 442 L C -0.278 176.525 176.870 -0.112 0.000 1.071 442 L CA 1.466 56.281 54.840 -0.041 0.000 0.749 442 L CB -2.436 39.712 42.059 0.148 0.000 0.890 442 L HN 0.092 nan 8.230 nan 0.000 0.431 443 P HA -0.225 nan 4.420 nan 0.000 0.217 443 P C 1.687 178.830 177.300 -0.262 0.000 1.150 443 P CA 1.419 64.451 63.100 -0.115 0.000 0.832 443 P CB -0.151 31.511 31.700 -0.063 0.000 0.787 444 F N 1.831 121.544 119.950 -0.395 0.000 2.069 444 F HA -0.200 4.324 4.527 -0.005 0.000 0.298 444 F C 2.327 177.782 175.800 -0.575 0.000 1.113 444 F CA 2.114 59.850 58.000 -0.441 0.000 1.214 444 F CB -1.013 37.727 39.000 -0.433 0.000 0.978 444 F HN -0.074 nan 8.300 nan 0.000 0.474 445 A N 0.091 122.478 122.820 -0.722 0.000 1.902 445 A HA -0.192 4.124 4.320 -0.005 0.000 0.217 445 A C 2.191 179.517 177.584 -0.430 0.000 1.181 445 A CA 1.501 53.178 52.037 -0.600 0.000 0.623 445 A CB -1.512 17.158 19.000 -0.550 0.000 0.818 445 A HN 0.505 nan 8.150 nan 0.000 0.443 446 F N 1.927 121.492 119.950 -0.642 0.000 2.134 446 F HA -0.163 4.362 4.527 -0.004 0.000 0.299 446 F C 2.893 178.200 175.800 -0.821 0.000 1.097 446 F CA 1.913 59.477 58.000 -0.726 0.000 1.264 446 F CB -1.104 37.335 39.000 -0.934 0.000 1.001 446 F HN 0.430 nan 8.300 nan 0.000 0.479 447 T N -2.309 111.830 114.554 -0.691 0.000 2.867 447 T HA -0.198 4.148 4.350 -0.005 0.000 0.268 447 T C 2.043 176.361 174.700 -0.637 0.000 1.057 447 T CA 1.190 62.847 62.100 -0.737 0.000 1.136 447 T CB -0.363 68.103 68.868 -0.670 0.000 0.874 447 T HN 0.057 nan 8.240 nan 0.000 0.466 448 M N 1.885 121.044 119.600 -0.735 0.000 2.080 448 M HA -0.054 4.423 4.480 -0.005 0.000 0.260 448 M C 1.692 177.760 176.300 -0.386 0.000 1.068 448 M CA 1.624 56.553 55.300 -0.619 0.000 1.109 448 M CB -1.203 30.816 32.600 -0.968 0.000 1.342 448 M HN 0.272 nan 8.290 nan 0.000 0.405 449 D N -0.374 119.730 120.400 -0.492 0.000 2.240 449 D HA -0.010 4.627 4.640 -0.005 0.000 0.206 449 D C 2.016 177.638 176.300 -1.131 0.000 0.963 449 D CA 0.674 54.242 54.000 -0.719 0.000 0.863 449 D CB -0.010 40.335 40.800 -0.759 0.000 0.973 449 D HN 0.288 nan 8.370 nan 0.000 0.501 450 K N -0.162 119.683 120.400 -0.924 0.000 2.074 450 K HA -0.206 4.111 4.320 -0.005 0.000 0.209 450 K C 2.008 178.433 176.600 -0.291 0.000 1.048 450 K CA 0.985 56.917 56.287 -0.591 0.000 0.926 450 K CB -0.226 31.880 32.500 -0.658 0.000 0.713 450 K HN 0.183 nan 8.250 nan 0.000 0.444 451 Y N 1.812 121.866 120.300 -0.409 0.000 2.089 451 Y HA -0.206 4.340 4.550 -0.005 0.000 0.282 451 Y C 2.129 177.850 175.900 -0.299 0.000 1.139 451 Y CA 1.535 59.464 58.100 -0.285 0.000 1.123 451 Y CB -0.119 38.213 38.460 -0.212 0.000 0.980 451 Y HN -0.096 nan 8.280 nan 0.000 0.493 452 R N -1.200 119.043 120.500 -0.429 0.000 2.096 452 R HA -0.211 4.126 4.340 -0.005 0.000 0.235 452 R C 2.083 177.904 176.300 -0.799 0.000 1.127 452 R CA 1.492 57.153 56.100 -0.732 0.000 0.968 452 R CB -0.637 29.392 30.300 -0.452 0.000 0.861 452 R HN 0.411 nan 8.270 nan 0.000 0.440 453 W N 1.000 122.054 121.300 -0.410 0.000 2.335 453 W HA -0.161 4.496 4.660 -0.006 0.000 0.311 453 W C 2.672 179.058 176.519 -0.221 0.000 1.213 453 W CA 1.417 58.645 57.345 -0.196 0.000 1.274 453 W CB -1.359 28.084 29.460 -0.030 0.000 1.148 453 W HN 0.187 nan 8.180 nan 0.000 0.498 454 S N -0.014 115.665 115.700 -0.035 0.000 2.399 454 S HA -0.154 4.313 4.470 -0.005 0.000 0.231 454 S C 1.966 176.448 174.600 -0.196 0.000 1.022 454 S CA 1.345 59.494 58.200 -0.086 0.000 0.983 454 S CB -0.910 62.235 63.200 -0.092 0.000 0.803 454 S HN 0.247 nan 8.310 nan 0.000 0.480 455 L N -0.390 120.555 121.223 -0.463 0.000 2.044 455 L HA 0.056 4.393 4.340 -0.005 0.000 0.205 455 L C 2.624 179.390 176.870 -0.174 0.000 1.075 455 L CA 1.480 56.006 54.840 -0.524 0.000 0.747 455 L CB -0.822 40.624 42.059 -1.021 0.000 0.903 455 L HN 0.288 nan 8.230 nan 0.000 0.435 456 F N 0.421 120.237 119.950 -0.224 0.000 2.126 456 F HA -0.230 4.293 4.527 -0.005 0.000 0.299 456 F C 2.619 178.350 175.800 -0.114 0.000 1.096 456 F CA 0.782 58.664 58.000 -0.196 0.000 1.255 456 F CB -0.209 38.651 39.000 -0.232 0.000 0.997 456 F HN 0.008 nan 8.300 nan 0.000 0.479 457 R N 0.191 120.762 120.500 0.117 0.000 2.307 457 R HA 0.065 4.402 4.340 -0.005 0.000 0.199 457 R C 1.277 177.613 176.300 0.059 0.000 1.000 457 R CA 0.560 56.699 56.100 0.065 0.000 1.023 457 R CB -0.306 30.024 30.300 0.050 0.000 0.908 457 R HN 0.369 nan 8.270 nan 0.000 0.473 458 G N 1.419 110.262 108.800 0.072 0.000 2.198 458 G HA2 -0.297 3.660 3.960 -0.005 0.000 0.257 458 G HA3 -0.297 3.660 3.960 -0.005 0.000 0.257 458 G C 0.306 175.263 174.900 0.095 0.000 1.042 458 G CA 0.409 45.570 45.100 0.100 0.000 0.791 458 G HN 0.466 nan 8.290 nan 0.000 0.502 459 E N -1.354 118.891 120.200 0.074 0.000 2.442 459 E HA 0.236 4.583 4.350 -0.005 0.000 0.195 459 E C 0.648 177.309 176.600 0.102 0.000 1.030 459 E CA 0.533 56.976 56.400 0.072 0.000 0.869 459 E CB 0.686 30.417 29.700 0.051 0.000 0.857 459 E HN 0.399 nan 8.360 nan 0.000 0.505 460 V N 2.330 122.331 119.914 0.144 0.000 2.487 460 V HA 0.137 4.254 4.120 -0.005 0.000 0.298 460 V C -0.400 175.929 176.094 0.392 0.000 1.028 460 V CA -1.082 61.359 62.300 0.236 0.000 0.860 460 V CB 1.817 33.762 31.823 0.203 0.000 0.991 460 V HN -0.007 nan 8.190 nan 0.000 0.427 461 D N 3.196 123.763 120.400 0.278 0.000 2.414 461 D HA 0.123 4.760 4.640 -0.005 0.000 0.242 461 D C 1.114 177.478 176.300 0.107 0.000 1.129 461 D CA -0.025 54.083 54.000 0.180 0.000 0.885 461 D CB 1.337 42.195 40.800 0.095 0.000 1.198 461 D HN 0.450 nan 8.370 nan 0.000 0.437 462 K N 1.372 121.615 120.400 -0.262 0.000 2.113 462 K HA -0.206 4.111 4.320 -0.005 0.000 0.208 462 K C 1.707 178.052 176.600 -0.425 0.000 1.047 462 K CA 1.352 57.100 56.287 -0.898 0.000 0.928 462 K CB -0.035 31.999 32.500 -0.776 0.000 0.716 462 K HN 0.428 nan 8.250 nan 0.000 0.446 463 A N 1.190 123.921 122.820 -0.148 0.000 2.125 463 A HA -0.151 4.166 4.320 -0.005 0.000 0.219 463 A C 1.072 178.714 177.584 0.096 0.000 1.156 463 A CA 1.477 53.500 52.037 -0.023 0.000 0.671 463 A CB -0.340 18.660 19.000 0.001 0.000 0.794 463 A HN 0.425 nan 8.150 nan 0.000 0.459 464 N N -2.409 116.404 118.700 0.188 0.000 2.200 464 N HA 0.079 4.816 4.740 -0.005 0.000 0.224 464 N C 0.530 176.324 175.510 0.475 0.000 1.179 464 N CA -0.374 52.850 53.050 0.290 0.000 0.877 464 N CB 0.199 38.834 38.487 0.245 0.000 1.072 464 N HN 0.501 nan 8.380 nan 0.000 0.519 465 W N 1.502 122.953 121.300 0.252 0.000 2.358 465 W HA -0.002 4.655 4.660 -0.005 0.000 0.303 465 W C 2.144 178.948 176.519 0.475 0.000 1.208 465 W CA 0.746 58.324 57.345 0.389 0.000 1.274 465 W CB -0.776 28.949 29.460 0.442 0.000 1.138 465 W HN 0.197 nan 8.180 nan 0.000 0.515 466 N N -0.976 118.102 118.700 0.630 0.000 2.171 466 N HA -0.121 4.616 4.740 -0.005 0.000 0.184 466 N C 1.634 177.360 175.510 0.360 0.000 1.021 466 N CA 1.783 55.081 53.050 0.415 0.000 0.854 466 N CB -0.727 38.021 38.487 0.435 0.000 0.994 466 N HN -0.083 nan 8.380 nan 0.000 0.426 467 c N -0.006 118.817 118.600 0.372 0.000 2.446 467 c HA 0.214 4.781 4.570 -0.005 0.000 0.279 467 c C 2.679 176.940 174.090 0.284 0.000 1.366 467 c CA 0.452 56.985 56.329 0.341 0.000 1.763 467 c CB -1.436 41.235 42.510 0.269 0.000 1.929 467 c HN 0.542 nan 8.230 nan 0.000 0.509 468 A N -0.024 122.979 122.820 0.305 0.000 1.933 468 A HA -0.198 4.119 4.320 -0.005 0.000 0.218 468 A C 1.864 179.568 177.584 0.199 0.000 1.175 468 A CA 1.580 53.787 52.037 0.284 0.000 0.628 468 A CB -0.734 18.477 19.000 0.352 0.000 0.814 468 A HN 0.550 nan 8.150 nan 0.000 0.444 469 F N -0.924 118.928 119.950 -0.163 0.000 2.084 469 F HA -0.139 4.385 4.527 -0.005 0.000 0.296 469 F C 2.006 177.504 175.800 -0.502 0.000 1.111 469 F CA 1.715 59.222 58.000 -0.820 0.000 1.224 469 F CB -0.561 37.566 39.000 -1.455 0.000 0.991 469 F HN 0.385 nan 8.300 nan 0.000 0.471 470 W N 0.928 122.192 121.300 -0.059 0.000 2.425 470 W HA -0.075 4.582 4.660 -0.005 0.000 0.277 470 W C 2.399 178.871 176.519 -0.080 0.000 1.231 470 W CA 0.755 58.043 57.345 -0.094 0.000 1.248 470 W CB -0.324 29.169 29.460 0.055 0.000 1.117 470 W HN -0.094 nan 8.180 nan 0.000 0.568 471 K N 0.376 120.877 120.400 0.169 0.000 2.063 471 K HA -0.182 4.135 4.320 -0.005 0.000 0.208 471 K C 1.833 178.490 176.600 0.095 0.000 1.048 471 K CA 1.400 57.769 56.287 0.137 0.000 0.928 471 K CB -0.627 31.956 32.500 0.138 0.000 0.713 471 K HN 0.244 nan 8.250 nan 0.000 0.442 472 L N 0.605 121.826 121.223 -0.003 0.000 2.027 472 L HA -0.161 4.175 4.340 -0.005 0.000 0.206 472 L C 2.478 179.350 176.870 0.003 0.000 1.074 472 L CA 0.920 55.765 54.840 0.009 0.000 0.745 472 L CB -0.321 41.634 42.059 -0.173 0.000 0.898 472 L HN 0.103 nan 8.230 nan 0.000 0.433 473 R N 0.007 120.392 120.500 -0.191 0.000 2.105 473 R HA -0.194 4.142 4.340 -0.005 0.000 0.239 473 R C 1.820 178.175 176.300 0.091 0.000 1.135 473 R CA 1.602 57.649 56.100 -0.089 0.000 0.967 473 R CB -0.956 29.284 30.300 -0.100 0.000 0.861 473 R HN 0.431 nan 8.270 nan 0.000 0.442 474 D N 0.791 121.269 120.400 0.130 0.000 2.077 474 D HA -0.180 4.457 4.640 -0.005 0.000 0.196 474 D C 1.772 178.264 176.300 0.321 0.000 0.986 474 D CA 1.379 55.471 54.000 0.152 0.000 0.829 474 D CB -0.125 40.782 40.800 0.179 0.000 0.983 474 D HN 0.312 nan 8.370 nan 0.000 0.453 475 E N -1.610 118.761 120.200 0.286 0.000 2.070 475 E HA -0.231 4.116 4.350 -0.005 0.000 0.197 475 E C 2.060 178.789 176.600 0.215 0.000 1.004 475 E CA 1.214 57.746 56.400 0.219 0.000 0.805 475 E CB -0.145 29.567 29.700 0.019 0.000 0.744 475 E HN 0.446 nan 8.360 nan 0.000 0.451 476 Y N -0.845 119.596 120.300 0.236 0.000 2.343 476 Y HA 0.110 4.657 4.550 -0.005 0.000 0.294 476 Y C 2.545 178.629 175.900 0.306 0.000 1.122 476 Y CA 0.863 59.110 58.100 0.245 0.000 1.173 476 Y CB 0.409 38.865 38.460 -0.006 0.000 1.077 476 Y HN -0.024 nan 8.280 nan 0.000 0.542 477 S N -1.550 114.335 115.700 0.308 0.000 2.497 477 S HA 0.198 4.665 4.470 -0.005 0.000 0.218 477 S C 1.417 176.017 174.600 0.001 0.000 1.023 477 S CA 0.594 58.944 58.200 0.250 0.000 0.913 477 S CB 0.190 63.531 63.200 0.236 0.000 0.800 477 S HN 0.612 nan 8.310 nan 0.000 0.505 478 G N 2.263 110.715 108.800 -0.579 0.000 2.246 478 G HA2 -0.248 3.709 3.960 -0.005 0.000 0.273 478 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.273 478 G C -0.118 174.468 174.900 -0.523 0.000 1.055 478 G CA 0.669 44.742 45.100 -1.712 0.000 0.851 478 G HN 0.601 nan 8.290 nan 0.000 0.500 479 I N -3.261 117.201 120.570 -0.179 0.000 2.957 479 I HA 1.034 5.201 4.170 -0.005 0.000 0.310 479 I C -0.347 175.741 176.117 -0.048 0.000 1.063 479 I CA -1.688 59.582 61.300 -0.050 0.000 1.033 479 I CB 2.135 40.201 38.000 0.110 0.000 1.230 479 I HN 0.417 nan 8.210 nan 0.000 0.447 480 E N 1.880 122.003 120.200 -0.128 0.000 2.413 480 E HA 0.635 4.982 4.350 -0.005 0.000 0.277 480 E C -3.114 173.177 176.600 -0.515 0.000 0.958 480 E CA -2.235 54.007 56.400 -0.263 0.000 0.779 480 E CB 1.691 31.246 29.700 -0.242 0.000 1.278 480 E HN 0.312 nan 8.360 nan 0.000 0.456 481 P HA 0.035 nan 4.420 nan 0.000 0.268 481 P C -1.889 174.782 177.300 -1.049 0.000 1.208 481 P CA -0.961 61.368 63.100 -1.285 0.000 0.777 481 P CB 0.198 31.050 31.700 -1.414 0.000 0.875 482 P HA -0.054 nan 4.420 nan 0.000 0.225 482 P C 0.128 176.988 177.300 -0.733 0.000 1.156 482 P CA 1.124 63.576 63.100 -1.080 0.000 0.787 482 P CB 0.203 30.931 31.700 -1.619 0.000 0.802 483 V N -4.134 115.351 119.914 -0.715 0.000 3.074 483 V HA 0.485 4.602 4.120 -0.005 0.000 0.314 483 V C -0.038 175.838 176.094 -0.364 0.000 1.117 483 V CA -1.434 60.617 62.300 -0.416 0.000 1.014 483 V CB 1.872 33.529 31.823 -0.275 0.000 1.057 483 V HN -0.337 nan 8.190 nan 0.000 0.438 484 V N 3.886 123.666 119.914 -0.223 0.000 2.529 484 V HA 0.344 4.461 4.120 -0.005 0.000 0.292 484 V C 0.561 176.589 176.094 -0.111 0.000 1.028 484 V CA 0.027 62.229 62.300 -0.164 0.000 1.074 484 V CB -0.164 31.602 31.823 -0.095 0.000 0.958 484 V HN 0.900 nan 8.190 nan 0.000 0.481 485 R N 3.351 123.786 120.500 -0.109 0.000 2.782 485 R HA 0.826 5.163 4.340 -0.005 0.000 0.258 485 R C 0.058 176.402 176.300 0.072 0.000 1.055 485 R CA -0.467 55.639 56.100 0.011 0.000 1.065 485 R CB 1.858 32.180 30.300 0.037 0.000 1.172 485 R HN 0.856 nan 8.270 nan 0.000 0.510 486 S N -1.197 114.588 115.700 0.141 0.000 2.790 486 S HA 0.283 4.750 4.470 -0.005 0.000 0.292 486 S C 0.130 174.851 174.600 0.202 0.000 1.197 486 S CA -0.783 57.506 58.200 0.148 0.000 0.851 486 S CB 1.315 64.576 63.200 0.101 0.000 1.217 486 S HN 0.406 nan 8.310 nan 0.000 0.526 487 E N 0.583 120.891 120.200 0.179 0.000 2.516 487 E HA 0.075 4.422 4.350 -0.005 0.000 0.199 487 E C 1.022 177.721 176.600 0.164 0.000 1.069 487 E CA 0.385 56.903 56.400 0.196 0.000 0.876 487 E CB -0.232 29.562 29.700 0.157 0.000 0.843 487 E HN 0.536 nan 8.360 nan 0.000 0.530 488 K N 0.575 121.058 120.400 0.139 0.000 2.296 488 K HA -0.010 4.307 4.320 -0.005 0.000 0.200 488 K C 0.496 177.185 176.600 0.149 0.000 1.048 488 K CA 0.511 56.867 56.287 0.115 0.000 0.966 488 K CB 0.325 32.877 32.500 0.086 0.000 0.754 488 K HN 0.088 nan 8.250 nan 0.000 0.466 489 D N -0.458 120.062 120.400 0.199 0.000 2.332 489 D HA 0.181 4.818 4.640 -0.005 0.000 0.252 489 D C -1.006 175.504 176.300 0.350 0.000 1.050 489 D CA -0.261 53.883 54.000 0.240 0.000 0.970 489 D CB 1.282 42.232 40.800 0.250 0.000 1.141 489 D HN -0.168 nan 8.370 nan 0.000 0.485 490 F N 1.150 121.164 119.950 0.108 0.000 2.941 490 F HA 0.173 4.697 4.527 -0.005 0.000 0.359 490 F C 0.023 175.793 175.800 -0.050 0.000 1.231 490 F CA -0.663 57.365 58.000 0.047 0.000 1.089 490 F CB 1.094 40.118 39.000 0.039 0.000 1.407 490 F HN 0.068 nan 8.300 nan 0.000 0.538 491 D N 3.047 123.176 120.400 -0.452 0.000 2.355 491 D HA 0.110 4.747 4.640 -0.005 0.000 0.206 491 D C 2.084 177.884 176.300 -0.834 0.000 1.010 491 D CA 0.878 54.703 54.000 -0.292 0.000 0.875 491 D CB 0.481 41.475 40.800 0.322 0.000 0.966 491 D HN 0.567 nan 8.370 nan 0.000 0.512 492 A N 2.182 124.027 122.820 -1.625 0.000 1.892 492 A HA -0.144 4.173 4.320 -0.005 0.000 0.218 492 A C -0.390 176.654 177.584 -0.899 0.000 1.188 492 A CA 1.384 52.367 52.037 -1.756 0.000 0.631 492 A CB -1.528 16.429 19.000 -1.739 0.000 0.822 492 A HN 0.157 nan 8.150 nan 0.000 0.447 493 P HA 0.041 nan 4.420 nan 0.000 0.234 493 P C 1.155 178.355 177.300 -0.167 0.000 1.167 493 P CA 1.097 63.982 63.100 -0.357 0.000 0.763 493 P CB -0.074 31.503 31.700 -0.205 0.000 0.835 494 A N -0.867 121.802 122.820 -0.251 0.000 2.172 494 A HA -0.112 4.205 4.320 -0.005 0.000 0.216 494 A C 1.321 179.165 177.584 0.435 0.000 1.154 494 A CA 0.898 52.849 52.037 -0.143 0.000 0.701 494 A CB -0.833 17.706 19.000 -0.767 0.000 0.789 494 A HN 0.070 nan 8.150 nan 0.000 0.465 495 K N -0.981 119.483 120.400 0.106 0.000 2.211 495 K HA 0.339 4.656 4.320 -0.005 0.000 0.275 495 K C 0.443 176.880 176.600 -0.272 0.000 1.024 495 K CA -0.743 55.456 56.287 -0.147 0.000 0.887 495 K CB 0.262 32.601 32.500 -0.268 0.000 1.084 495 K HN 0.222 nan 8.250 nan 0.000 0.463 496 Y N 4.160 124.082 120.300 -0.630 0.000 2.062 496 Y HA -0.354 4.193 4.550 -0.005 0.000 0.276 496 Y C 1.113 176.594 175.900 -0.698 0.000 1.189 496 Y CA 2.476 59.866 58.100 -1.183 0.000 1.130 496 Y CB -0.310 37.433 38.460 -1.196 0.000 0.959 496 Y HN 0.942 nan 8.280 nan 0.000 0.499 497 H N -0.515 118.251 119.070 -0.506 0.000 2.457 497 H HA -0.126 4.427 4.556 -0.005 0.000 0.297 497 H C 2.291 177.464 175.328 -0.258 0.000 1.092 497 H CA 1.953 57.802 56.048 -0.333 0.000 1.309 497 H CB -0.345 29.473 29.762 0.094 0.000 1.382 497 H HN 0.418 nan 8.280 nan 0.000 0.535 498 I N -0.778 119.714 120.570 -0.130 0.000 2.286 498 I HA -0.201 3.966 4.170 -0.005 0.000 0.245 498 I C 2.156 178.243 176.117 -0.050 0.000 1.104 498 I CA 0.900 62.185 61.300 -0.025 0.000 1.397 498 I CB -0.199 37.728 38.000 -0.120 0.000 1.072 498 I HN 0.140 nan 8.210 nan 0.000 0.417 499 S N 0.715 116.274 115.700 -0.235 0.000 2.382 499 S HA -0.082 4.385 4.470 -0.005 0.000 0.228 499 S C 1.911 176.316 174.600 -0.325 0.000 1.027 499 S CA 1.421 59.492 58.200 -0.215 0.000 0.991 499 S CB -0.148 62.925 63.200 -0.212 0.000 0.823 499 S HN 0.526 nan 8.310 nan 0.000 0.469 500 A N 0.473 122.957 122.820 -0.559 0.000 2.275 500 A HA 0.281 4.598 4.320 -0.005 0.000 0.212 500 A C 0.540 177.952 177.584 -0.286 0.000 1.201 500 A CA 0.437 52.149 52.037 -0.542 0.000 0.843 500 A CB -0.236 18.111 19.000 -1.087 0.000 0.873 500 A HN 0.401 nan 8.150 nan 0.000 0.492 501 D N -0.926 119.368 120.400 -0.176 0.000 2.737 501 D HA -0.133 4.504 4.640 -0.005 0.000 0.238 501 D C -0.830 175.570 176.300 0.165 0.000 1.157 501 D CA 0.823 54.880 54.000 0.095 0.000 0.694 501 D CB -1.611 39.247 40.800 0.097 0.000 1.021 501 D HN 0.196 nan 8.370 nan 0.000 0.420 502 V N 1.921 121.883 119.914 0.080 0.000 2.384 502 V HA 0.278 4.395 4.120 -0.005 0.000 0.287 502 V C 0.691 176.771 176.094 -0.024 0.000 1.020 502 V CA -0.955 61.370 62.300 0.041 0.000 0.850 502 V CB 1.676 33.544 31.823 0.075 0.000 0.987 502 V HN 0.307 nan 8.190 nan 0.000 0.436 503 E N 2.852 122.779 120.200 -0.455 0.000 2.452 503 E HA -0.091 4.256 4.350 -0.005 0.000 0.261 503 E C -0.574 175.850 176.600 -0.293 0.000 0.987 503 E CA 0.423 56.237 56.400 -0.976 0.000 0.926 503 E CB 0.664 29.496 29.700 -1.446 0.000 0.934 503 E HN 0.698 nan 8.360 nan 0.000 0.452 504 Y N 3.911 124.041 120.300 -0.282 0.000 2.462 504 Y HA 0.017 4.565 4.550 -0.004 0.000 0.253 504 Y C 1.848 177.733 175.900 -0.024 0.000 1.095 504 Y CA 0.052 58.127 58.100 -0.041 0.000 1.283 504 Y CB 0.361 38.740 38.460 -0.135 0.000 1.138 504 Y HN 0.596 nan 8.280 nan 0.000 0.522 505 L N 1.435 122.665 121.223 0.011 0.000 2.127 505 L HA -0.235 4.102 4.340 -0.005 0.000 0.211 505 L C 2.584 179.460 176.870 0.009 0.000 1.089 505 L CA 1.835 56.691 54.840 0.027 0.000 0.757 505 L CB -0.510 41.657 42.059 0.180 0.000 0.899 505 L HN 0.258 nan 8.230 nan 0.000 0.434 506 R N -1.878 118.605 120.500 -0.028 0.000 2.154 506 R HA -0.268 4.068 4.340 -0.005 0.000 0.248 506 R C 1.926 178.115 176.300 -0.186 0.000 1.155 506 R CA 2.295 58.333 56.100 -0.103 0.000 0.979 506 R CB -1.285 28.814 30.300 -0.335 0.000 0.869 506 R HN 0.366 nan 8.270 nan 0.000 0.452 507 Y N 0.640 120.894 120.300 -0.076 0.000 2.337 507 Y HA -0.019 4.528 4.550 -0.005 0.000 0.293 507 Y C 2.229 178.223 175.900 0.156 0.000 1.123 507 Y CA 0.551 58.668 58.100 0.029 0.000 1.201 507 Y CB -0.350 37.992 38.460 -0.197 0.000 1.011 507 Y HN 0.024 nan 8.280 nan 0.000 0.545 508 L N -0.463 120.833 121.223 0.121 0.000 2.017 508 L HA -0.141 4.196 4.340 -0.005 0.000 0.208 508 L C 2.146 179.031 176.870 0.025 0.000 1.073 508 L CA 1.461 56.298 54.840 -0.004 0.000 0.745 508 L CB -0.891 41.011 42.059 -0.263 0.000 0.894 508 L HN 0.037 nan 8.230 nan 0.000 0.432 509 V N -0.857 119.051 119.914 -0.010 0.000 2.255 509 V HA -0.318 3.799 4.120 -0.005 0.000 0.247 509 V C 2.781 178.894 176.094 0.032 0.000 1.051 509 V CA 1.941 64.231 62.300 -0.016 0.000 1.018 509 V CB -1.089 30.768 31.823 0.057 0.000 0.641 509 V HN 0.679 nan 8.190 nan 0.000 0.445 510 S N -0.393 115.379 115.700 0.121 0.000 2.359 510 S HA -0.248 4.219 4.470 -0.005 0.000 0.223 510 S C 1.896 176.590 174.600 0.156 0.000 1.039 510 S CA 2.075 60.355 58.200 0.134 0.000 1.042 510 S CB -0.548 62.803 63.200 0.253 0.000 0.915 510 S HN 0.546 nan 8.310 nan 0.000 0.439 511 F N 0.780 120.767 119.950 0.062 0.000 2.333 511 F HA 0.044 4.569 4.527 -0.005 0.000 0.300 511 F C 1.984 177.883 175.800 0.165 0.000 1.083 511 F CA 0.743 58.813 58.000 0.117 0.000 1.395 511 F CB -0.149 38.980 39.000 0.215 0.000 1.056 511 F HN 0.259 nan 8.300 nan 0.000 0.529 512 I N 0.274 120.967 120.570 0.204 0.000 2.206 512 I HA -0.233 3.934 4.170 -0.005 0.000 0.239 512 I C 2.314 178.417 176.117 -0.023 0.000 1.078 512 I CA 1.185 62.535 61.300 0.082 0.000 1.367 512 I CB -0.440 37.548 38.000 -0.020 0.000 1.078 512 I HN 0.070 nan 8.210 nan 0.000 0.413 513 I N -0.133 120.316 120.570 -0.202 0.000 2.676 513 I HA -0.216 3.950 4.170 -0.005 0.000 0.259 513 I C 2.475 178.153 176.117 -0.732 0.000 1.194 513 I CA 0.993 61.966 61.300 -0.545 0.000 1.473 513 I CB -0.760 36.766 38.000 -0.790 0.000 1.096 513 I HN 0.352 nan 8.210 nan 0.000 0.443 514 Q N 1.249 120.802 119.800 -0.412 0.000 2.226 514 Q HA -0.180 4.157 4.340 -0.005 0.000 0.204 514 Q C 1.740 177.504 176.000 -0.394 0.000 0.975 514 Q CA 1.715 57.291 55.803 -0.378 0.000 0.866 514 Q CB -0.756 27.715 28.738 -0.445 0.000 0.915 514 Q HN 0.557 nan 8.270 nan 0.000 0.440 515 F N 1.440 121.244 119.950 -0.244 0.000 2.293 515 F HA -0.002 4.522 4.527 -0.004 0.000 0.297 515 F C 2.483 178.238 175.800 -0.076 0.000 1.089 515 F CA 1.010 58.931 58.000 -0.131 0.000 1.377 515 F CB -0.025 38.893 39.000 -0.138 0.000 1.051 515 F HN 0.065 nan 8.300 nan 0.000 0.511 516 Q N -0.216 119.549 119.800 -0.059 0.000 2.050 516 Q HA -0.180 4.157 4.340 -0.005 0.000 0.202 516 Q C 2.214 178.183 176.000 -0.053 0.000 0.980 516 Q CA 1.869 57.606 55.803 -0.110 0.000 0.840 516 Q CB -0.512 28.054 28.738 -0.286 0.000 0.898 516 Q HN 0.432 nan 8.270 nan 0.000 0.424 517 F N -0.870 118.949 119.950 -0.219 0.000 2.102 517 F HA -0.273 4.253 4.527 -0.002 0.000 0.298 517 F C 2.356 178.143 175.800 -0.021 0.000 1.105 517 F CA 0.728 58.477 58.000 -0.419 0.000 1.239 517 F CB -0.323 38.257 39.000 -0.700 0.000 0.991 517 F HN 0.132 nan 8.300 nan 0.000 0.474 518 Y N 1.530 121.858 120.300 0.046 0.000 2.145 518 Y HA -0.252 4.295 4.550 -0.005 0.000 0.286 518 Y C 2.510 178.461 175.900 0.084 0.000 1.145 518 Y CA 1.835 59.948 58.100 0.023 0.000 1.148 518 Y CB -0.533 37.817 38.460 -0.183 0.000 0.981 518 Y HN -0.087 nan 8.280 nan 0.000 0.507 519 K N -0.576 119.889 120.400 0.108 0.000 2.032 519 K HA -0.174 4.143 4.320 -0.005 0.000 0.209 519 K C 2.223 178.888 176.600 0.108 0.000 1.048 519 K CA 1.865 58.181 56.287 0.047 0.000 0.927 519 K CB -0.296 32.282 32.500 0.129 0.000 0.712 519 K HN 0.297 nan 8.250 nan 0.000 0.441 520 S N 0.429 116.242 115.700 0.189 0.000 2.355 520 S HA -0.097 4.370 4.470 -0.005 0.000 0.222 520 S C 2.024 176.697 174.600 0.122 0.000 1.031 520 S CA 1.088 59.412 58.200 0.207 0.000 0.993 520 S CB -0.247 63.173 63.200 0.366 0.000 0.859 520 S HN 0.536 nan 8.310 nan 0.000 0.453 521 A N 0.538 123.466 122.820 0.180 0.000 1.902 521 A HA -0.162 4.154 4.320 -0.005 0.000 0.217 521 A C 2.391 179.976 177.584 0.003 0.000 1.181 521 A CA 1.604 53.697 52.037 0.094 0.000 0.623 521 A CB -1.268 17.890 19.000 0.263 0.000 0.818 521 A HN 0.622 nan 8.150 nan 0.000 0.443 522 c N -0.784 117.764 118.600 -0.086 0.000 2.446 522 c HA -0.040 4.527 4.570 -0.005 0.000 0.277 522 c C 2.555 176.659 174.090 0.023 0.000 1.275 522 c CA 0.855 57.120 56.329 -0.106 0.000 1.727 522 c CB -1.322 41.019 42.510 -0.282 0.000 2.010 522 c HN 0.628 nan 8.230 nan 0.000 0.486 523 I N 0.842 121.454 120.570 0.071 0.000 2.179 523 I HA -0.212 3.955 4.170 -0.005 0.000 0.242 523 I C 2.479 178.600 176.117 0.006 0.000 1.088 523 I CA 1.572 62.907 61.300 0.058 0.000 1.357 523 I CB -0.431 37.613 38.000 0.074 0.000 1.051 523 I HN 0.356 nan 8.210 nan 0.000 0.409 524 K N 0.867 121.259 120.400 -0.013 0.000 2.147 524 K HA -0.102 4.215 4.320 -0.005 0.000 0.205 524 K C 2.007 178.590 176.600 -0.029 0.000 1.049 524 K CA 1.419 57.681 56.287 -0.041 0.000 0.936 524 K CB -0.216 32.231 32.500 -0.088 0.000 0.722 524 K HN 0.310 nan 8.250 nan 0.000 0.446 525 A N 0.432 123.244 122.820 -0.015 0.000 2.206 525 A HA 0.152 4.468 4.320 -0.005 0.000 0.211 525 A C 1.422 179.004 177.584 -0.003 0.000 1.158 525 A CA 0.801 52.833 52.037 -0.007 0.000 0.761 525 A CB -0.407 18.596 19.000 0.004 0.000 0.801 525 A HN 0.402 nan 8.150 nan 0.000 0.473 526 G N -1.249 107.549 108.800 -0.003 0.000 2.160 526 G HA2 -0.262 3.694 3.960 -0.005 0.000 0.251 526 G HA3 -0.262 3.694 3.960 -0.005 0.000 0.251 526 G C 0.658 175.564 174.900 0.011 0.000 1.008 526 G CA 0.596 45.694 45.100 -0.004 0.000 0.724 526 G HN 0.444 nan 8.290 nan 0.000 0.514 527 Q N -1.785 118.032 119.800 0.029 0.000 2.352 527 Q HA 0.202 4.539 4.340 -0.005 0.000 0.212 527 Q C -0.010 176.058 176.000 0.113 0.000 0.888 527 Q CA 0.286 56.118 55.803 0.049 0.000 0.934 527 Q CB 0.751 29.507 28.738 0.029 0.000 1.093 527 Q HN 0.726 nan 8.270 nan 0.000 0.523 528 Y N 0.847 121.117 120.300 -0.050 0.000 2.373 528 Y HA 0.396 4.942 4.550 -0.006 0.000 0.336 528 Y C -1.756 174.127 175.900 -0.028 0.000 0.979 528 Y CA -1.802 56.271 58.100 -0.045 0.000 1.080 528 Y CB 1.368 39.790 38.460 -0.064 0.000 1.190 528 Y HN -0.209 nan 8.280 nan 0.000 0.446 529 D N 8.455 128.567 120.400 -0.480 0.000 2.686 529 D HA 0.352 4.989 4.640 -0.005 0.000 0.249 529 D C -2.310 173.644 176.300 -0.576 0.000 1.260 529 D CA -2.252 51.427 54.000 -0.534 0.000 0.910 529 D CB 2.844 43.511 40.800 -0.221 0.000 1.323 529 D HN 0.333 nan 8.370 nan 0.000 0.561 530 P HA -0.025 nan 4.420 nan 0.000 0.225 530 P C 0.194 177.425 177.300 -0.115 0.000 1.148 530 P CA 0.709 63.632 63.100 -0.295 0.000 0.779 530 P CB 0.593 32.181 31.700 -0.187 0.000 0.780 531 D N -1.110 119.212 120.400 -0.130 0.000 2.340 531 D HA 0.047 4.684 4.640 -0.005 0.000 0.217 531 D C 0.203 176.471 176.300 -0.053 0.000 1.081 531 D CA 0.316 54.275 54.000 -0.068 0.000 0.842 531 D CB -0.191 40.572 40.800 -0.061 0.000 0.934 531 D HN 0.108 nan 8.370 nan 0.000 0.511 532 N N 0.969 119.632 118.700 -0.062 0.000 2.483 532 N HA 0.016 4.753 4.740 -0.005 0.000 0.267 532 N C 0.695 176.200 175.510 -0.008 0.000 0.998 532 N CA -0.377 52.651 53.050 -0.036 0.000 0.918 532 N CB 1.922 40.382 38.487 -0.045 0.000 1.215 532 N HN -0.272 nan 8.380 nan 0.000 0.500 533 V N 3.253 123.167 119.914 0.001 0.000 2.720 533 V HA -0.081 4.036 4.120 -0.005 0.000 0.256 533 V C 1.300 177.405 176.094 0.018 0.000 1.082 533 V CA 1.726 64.034 62.300 0.012 0.000 1.101 533 V CB -0.120 31.708 31.823 0.008 0.000 0.693 533 V HN 0.586 nan 8.190 nan 0.000 0.479 534 E N -0.153 120.055 120.200 0.014 0.000 2.478 534 E HA 0.151 4.498 4.350 -0.005 0.000 0.194 534 E C 0.591 177.210 176.600 0.031 0.000 1.045 534 E CA 0.292 56.703 56.400 0.019 0.000 0.868 534 E CB 0.247 29.954 29.700 0.012 0.000 0.885 534 E HN 0.529 nan 8.360 nan 0.000 0.505 535 L N 2.558 123.805 121.223 0.040 0.000 2.784 535 L HA 0.281 4.618 4.340 -0.005 0.000 0.241 535 L C -2.423 174.541 176.870 0.157 0.000 1.352 535 L CA -1.581 53.303 54.840 0.073 0.000 0.911 535 L CB 0.996 43.080 42.059 0.042 0.000 1.227 535 L HN -0.211 nan 8.230 nan 0.000 0.501 536 P HA 0.081 nan 4.420 nan 0.000 0.281 536 P C 0.701 178.030 177.300 0.049 0.000 1.249 536 P CA -0.590 62.584 63.100 0.125 0.000 0.810 536 P CB 2.046 33.759 31.700 0.022 0.000 1.008 537 L N 2.466 123.592 121.223 -0.162 0.000 2.083 537 L HA -0.146 4.191 4.340 -0.005 0.000 0.209 537 L C 1.606 178.340 176.870 -0.227 0.000 1.083 537 L CA 2.027 56.592 54.840 -0.459 0.000 0.752 537 L CB -1.324 40.222 42.059 -0.854 0.000 0.899 537 L HN 0.412 nan 8.230 nan 0.000 0.433 538 D N -2.258 117.885 120.400 -0.428 0.000 2.363 538 D HA -0.141 4.496 4.640 -0.005 0.000 0.226 538 D C 0.755 177.018 176.300 -0.062 0.000 1.020 538 D CA 0.373 54.111 54.000 -0.436 0.000 0.892 538 D CB -0.343 40.065 40.800 -0.653 0.000 0.900 538 D HN 0.358 nan 8.370 nan 0.000 0.531 539 N N 0.034 118.734 118.700 -0.001 0.000 2.299 539 N HA 0.036 4.773 4.740 -0.005 0.000 0.246 539 N C -1.036 174.532 175.510 0.097 0.000 1.254 539 N CA -0.503 52.584 53.050 0.061 0.000 0.879 539 N CB 0.331 38.847 38.487 0.048 0.000 1.214 539 N HN 0.190 nan 8.380 nan 0.000 0.510 540 c N 0.545 119.219 118.600 0.123 0.000 2.585 540 c HA 0.470 5.037 4.570 -0.005 0.000 0.406 540 c C -0.058 174.128 174.090 0.161 0.000 1.312 540 c CA -0.517 55.864 56.329 0.086 0.000 1.924 540 c CB -0.343 42.110 42.510 -0.095 0.000 2.578 540 c HN 0.381 nan 8.230 nan 0.000 0.580 541 D N 3.956 124.440 120.400 0.140 0.000 2.425 541 D HA 0.331 4.968 4.640 -0.005 0.000 0.240 541 D C 0.728 177.133 176.300 0.175 0.000 1.080 541 D CA -0.631 53.492 54.000 0.205 0.000 0.836 541 D CB 0.879 41.820 40.800 0.235 0.000 1.125 541 D HN 0.651 nan 8.370 nan 0.000 0.525 542 I N 1.258 121.964 120.570 0.227 0.000 3.812 542 I HA 0.266 4.433 4.170 -0.005 0.000 0.320 542 I C 0.311 176.483 176.117 0.091 0.000 1.276 542 I CA -0.618 60.783 61.300 0.168 0.000 1.164 542 I CB -0.446 37.667 38.000 0.188 0.000 1.009 542 I HN 0.202 nan 8.210 nan 0.000 0.431 543 Y N 3.358 123.557 120.300 -0.169 0.000 2.712 543 Y HA 0.289 4.838 4.550 -0.002 0.000 0.333 543 Y C 1.521 177.245 175.900 -0.295 0.000 1.225 543 Y CA 1.210 58.914 58.100 -0.661 0.000 1.499 543 Y CB 0.488 38.572 38.460 -0.628 0.000 1.288 543 Y HN 0.451 nan 8.280 nan 0.000 0.575 544 G N 3.290 111.541 108.800 -0.915 0.000 2.184 544 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.264 544 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.264 544 G C 0.202 174.951 174.900 -0.251 0.000 0.975 544 G CA 0.384 45.149 45.100 -0.558 0.000 0.642 544 G HN 0.960 nan 8.290 nan 0.000 0.536 545 S N 0.362 115.955 115.700 -0.179 0.000 2.399 545 S HA 0.683 5.150 4.470 -0.005 0.000 0.301 545 S C 1.608 176.171 174.600 -0.061 0.000 1.093 545 S CA 0.649 58.801 58.200 -0.080 0.000 1.077 545 S CB 0.841 64.026 63.200 -0.025 0.000 0.980 545 S HN 1.442 nan 8.310 nan 0.000 0.494 546 A N 5.187 127.970 122.820 -0.062 0.000 1.969 546 A HA 0.170 4.487 4.320 -0.005 0.000 0.218 546 A C 2.286 179.854 177.584 -0.027 0.000 1.169 546 A CA 1.478 53.488 52.037 -0.045 0.000 0.635 546 A CB -0.946 18.023 19.000 -0.051 0.000 0.810 546 A HN 1.077 nan 8.150 nan 0.000 0.445 547 A N -0.071 122.729 122.820 -0.033 0.000 1.898 547 A HA 0.215 4.532 4.320 -0.005 0.000 0.216 547 A C 2.470 180.021 177.584 -0.054 0.000 1.181 547 A CA 1.844 53.854 52.037 -0.044 0.000 0.620 547 A CB -0.891 18.081 19.000 -0.047 0.000 0.819 547 A HN 0.956 nan 8.150 nan 0.000 0.442 548 A N -0.424 122.388 122.820 -0.013 0.000 1.898 548 A HA 0.158 4.475 4.320 -0.005 0.000 0.216 548 A C 2.399 180.078 177.584 0.159 0.000 1.181 548 A CA 1.807 53.867 52.037 0.039 0.000 0.620 548 A CB -1.357 17.721 19.000 0.130 0.000 0.819 548 A HN 0.712 nan 8.150 nan 0.000 0.442 549 G N -0.441 108.446 108.800 0.146 0.000 2.422 549 G HA2 -0.003 3.954 3.960 -0.005 0.000 0.218 549 G HA3 -0.003 3.954 3.960 -0.005 0.000 0.218 549 G C 1.707 176.705 174.900 0.164 0.000 1.146 549 G CA 1.422 46.633 45.100 0.186 0.000 0.769 549 G HN 0.780 nan 8.290 nan 0.000 0.547 550 A N 1.203 124.059 122.820 0.060 0.000 1.902 550 A HA 0.250 4.567 4.320 -0.005 0.000 0.217 550 A C 2.825 180.411 177.584 0.003 0.000 1.181 550 A CA 2.253 54.320 52.037 0.049 0.000 0.623 550 A CB -0.788 18.208 19.000 -0.006 0.000 0.818 550 A HN 0.772 nan 8.150 nan 0.000 0.443 551 A N -1.119 121.593 122.820 -0.179 0.000 1.902 551 A HA -0.014 4.302 4.320 -0.005 0.000 0.217 551 A C 1.957 179.371 177.584 -0.284 0.000 1.181 551 A CA 1.559 53.297 52.037 -0.499 0.000 0.623 551 A CB -0.767 17.501 19.000 -1.220 0.000 0.818 551 A HN 0.449 nan 8.150 nan 0.000 0.443 552 F N -0.620 119.322 119.950 -0.013 0.000 2.134 552 F HA -0.166 4.357 4.527 -0.008 0.000 0.299 552 F C 2.329 178.157 175.800 0.047 0.000 1.097 552 F CA 1.936 59.999 58.000 0.105 0.000 1.264 552 F CB -0.793 38.253 39.000 0.078 0.000 1.001 552 F HN 0.528 nan 8.300 nan 0.000 0.479 553 H N 0.347 119.514 119.070 0.163 0.000 2.319 553 H HA -0.154 4.401 4.556 -0.001 0.000 0.299 553 H C 2.071 177.444 175.328 0.075 0.000 1.092 553 H CA 2.220 58.322 56.048 0.091 0.000 1.302 553 H CB -0.478 29.316 29.762 0.054 0.000 1.373 553 H HN 0.018 nan 8.280 nan 0.000 0.497 554 N N -0.006 118.633 118.700 -0.102 0.000 2.104 554 N HA -0.181 4.556 4.740 -0.005 0.000 0.190 554 N C 2.159 177.632 175.510 -0.062 0.000 1.024 554 N CA 1.665 54.634 53.050 -0.136 0.000 0.853 554 N CB -0.394 38.061 38.487 -0.055 0.000 1.008 554 N HN 0.525 nan 8.380 nan 0.000 0.424 555 M N 0.179 119.790 119.600 0.019 0.000 2.191 555 M HA 0.026 4.503 4.480 -0.005 0.000 0.262 555 M C 1.690 178.037 176.300 0.077 0.000 1.083 555 M CA 1.043 56.393 55.300 0.083 0.000 1.154 555 M CB 0.057 32.737 32.600 0.134 0.000 1.344 555 M HN -0.013 nan 8.290 nan 0.000 0.431 556 L N 0.191 121.423 121.223 0.015 0.000 2.141 556 L HA -0.131 4.206 4.340 -0.005 0.000 0.209 556 L C 2.625 179.653 176.870 0.263 0.000 1.094 556 L CA 1.357 56.202 54.840 0.009 0.000 0.763 556 L CB -0.932 40.990 42.059 -0.227 0.000 0.908 556 L HN 0.477 nan 8.230 nan 0.000 0.437 557 S N -0.496 115.281 115.700 0.128 0.000 2.442 557 S HA -0.154 4.313 4.470 -0.005 0.000 0.236 557 S C 1.890 176.642 174.600 0.253 0.000 1.007 557 S CA 0.904 59.236 58.200 0.220 0.000 0.965 557 S CB -0.363 62.826 63.200 -0.019 0.000 0.773 557 S HN 0.377 nan 8.310 nan 0.000 0.504 558 M N 1.456 121.148 119.600 0.155 0.000 2.296 558 M HA 0.140 4.617 4.480 -0.005 0.000 0.265 558 M C 2.016 178.335 176.300 0.031 0.000 1.064 558 M CA 0.763 56.102 55.300 0.066 0.000 1.109 558 M CB -1.180 31.433 32.600 0.022 0.000 1.396 558 M HN 0.602 nan 8.290 nan 0.000 0.430 559 G N 0.859 109.779 108.800 0.201 0.000 2.634 559 G HA2 -0.368 3.589 3.960 -0.005 0.000 0.309 559 G HA3 -0.368 3.589 3.960 -0.005 0.000 0.309 559 G C 0.468 175.280 174.900 -0.146 0.000 1.265 559 G CA 0.395 45.504 45.100 0.014 0.000 0.998 559 G HN 0.655 nan 8.290 nan 0.000 0.551 560 A N -0.021 122.629 122.820 -0.283 0.000 2.577 560 A HA 0.624 4.941 4.320 -0.005 0.000 0.280 560 A C 2.076 179.337 177.584 -0.538 0.000 1.331 560 A CA 1.414 53.283 52.037 -0.280 0.000 0.935 560 A CB -0.334 18.548 19.000 -0.197 0.000 1.082 560 A HN 1.947 nan 8.150 nan 0.000 0.525 561 S N -0.309 114.909 115.700 -0.803 0.000 2.447 561 S HA 0.046 4.513 4.470 -0.005 0.000 0.233 561 S C 0.798 174.947 174.600 -0.753 0.000 1.006 561 S CA 0.642 57.971 58.200 -1.451 0.000 0.957 561 S CB 0.058 62.753 63.200 -0.841 0.000 0.773 561 S HN 0.320 nan 8.310 nan 0.000 0.507 562 K N 1.171 121.324 120.400 -0.411 0.000 2.477 562 K HA 0.536 4.853 4.320 -0.005 0.000 0.255 562 K C -3.315 173.176 176.600 -0.182 0.000 0.952 562 K CA -2.430 53.716 56.287 -0.235 0.000 0.826 562 K CB 1.347 33.751 32.500 -0.160 0.000 1.331 562 K HN -0.071 nan 8.250 nan 0.000 0.437 563 P HA -0.038 nan 4.420 nan 0.000 0.266 563 P C 1.054 178.243 177.300 -0.185 0.000 1.193 563 P CA -0.090 62.915 63.100 -0.159 0.000 0.770 563 P CB 0.221 31.807 31.700 -0.190 0.000 0.836 564 W N 3.563 124.762 121.300 -0.168 0.000 2.350 564 W HA -0.071 4.585 4.660 -0.006 0.000 0.289 564 W C -1.737 174.759 176.519 -0.039 0.000 1.215 564 W CA 1.081 58.260 57.345 -0.277 0.000 1.236 564 W CB -2.925 26.296 29.460 -0.399 0.000 1.130 564 W HN 0.315 nan 8.180 nan 0.000 0.541 565 P HA -0.119 nan 4.420 nan 0.000 0.220 565 P C 1.195 178.464 177.300 -0.051 0.000 1.148 565 P CA 2.054 64.937 63.100 -0.361 0.000 0.803 565 P CB -0.166 31.175 31.700 -0.599 0.000 0.782 566 D N -0.743 119.610 120.400 -0.079 0.000 2.183 566 D HA -0.058 4.579 4.640 -0.005 0.000 0.203 566 D C 1.961 178.299 176.300 0.064 0.000 0.969 566 D CA 1.215 55.206 54.000 -0.014 0.000 0.842 566 D CB -0.509 40.258 40.800 -0.055 0.000 0.957 566 D HN 0.078 nan 8.370 nan 0.000 0.484 567 A N 0.908 123.783 122.820 0.092 0.000 1.897 567 A HA -0.104 4.213 4.320 -0.005 0.000 0.215 567 A C 2.128 179.946 177.584 0.390 0.000 1.181 567 A CA 0.748 52.893 52.037 0.181 0.000 0.620 567 A CB -0.644 18.393 19.000 0.062 0.000 0.821 567 A HN 0.212 nan 8.150 nan 0.000 0.443 568 L N 0.270 121.829 121.223 0.560 0.000 2.046 568 L HA -0.159 4.178 4.340 -0.005 0.000 0.208 568 L C 2.215 179.314 176.870 0.382 0.000 1.077 568 L CA 2.678 57.877 54.840 0.598 0.000 0.747 568 L CB -0.722 41.734 42.059 0.662 0.000 0.896 568 L HN 0.605 nan 8.230 nan 0.000 0.432 569 E N -0.767 119.585 120.200 0.253 0.000 2.118 569 E HA -0.240 4.107 4.350 -0.005 0.000 0.195 569 E C 2.084 178.770 176.600 0.143 0.000 0.992 569 E CA 1.123 57.621 56.400 0.164 0.000 0.804 569 E CB -0.168 29.588 29.700 0.094 0.000 0.741 569 E HN 0.627 nan 8.360 nan 0.000 0.458 570 A N 0.100 123.008 122.820 0.146 0.000 1.972 570 A HA -0.156 4.161 4.320 -0.005 0.000 0.219 570 A C 1.893 179.536 177.584 0.098 0.000 1.169 570 A CA 1.022 53.118 52.037 0.098 0.000 0.635 570 A CB -0.643 18.407 19.000 0.083 0.000 0.810 570 A HN 0.472 nan 8.150 nan 0.000 0.446 571 F N 1.490 121.452 119.950 0.019 0.000 2.094 571 F HA -0.078 4.446 4.527 -0.005 0.000 0.291 571 F C 1.649 177.437 175.800 -0.020 0.000 1.109 571 F CA 1.865 59.831 58.000 -0.057 0.000 1.221 571 F CB 0.145 39.085 39.000 -0.099 0.000 1.014 571 F HN 0.462 nan 8.300 nan 0.000 0.473 572 N N -1.317 117.538 118.700 0.258 0.000 2.167 572 N HA 0.204 4.941 4.740 -0.005 0.000 0.234 572 N C 0.904 176.490 175.510 0.127 0.000 1.312 572 N CA 0.608 53.756 53.050 0.163 0.000 0.861 572 N CB 0.431 39.108 38.487 0.318 0.000 1.217 572 N HN 0.373 nan 8.380 nan 0.000 0.504 573 G N -0.080 108.794 108.800 0.123 0.000 2.179 573 G HA2 -0.300 3.656 3.960 -0.005 0.000 0.260 573 G HA3 -0.300 3.656 3.960 -0.005 0.000 0.260 573 G C -0.377 174.585 174.900 0.104 0.000 0.977 573 G CA 0.451 45.606 45.100 0.092 0.000 0.641 573 G HN 0.509 nan 8.290 nan 0.000 0.533 574 E N -0.834 119.453 120.200 0.145 0.000 2.250 574 E HA 0.685 5.032 4.350 -0.005 0.000 0.269 574 E C 0.963 177.658 176.600 0.157 0.000 1.018 574 E CA -0.823 55.661 56.400 0.140 0.000 0.873 574 E CB 0.871 30.662 29.700 0.151 0.000 1.134 574 E HN 0.270 nan 8.360 nan 0.000 0.403 575 R N 0.803 121.379 120.500 0.127 0.000 2.531 575 R HA 0.335 4.672 4.340 -0.005 0.000 0.316 575 R C -0.219 176.147 176.300 0.111 0.000 0.955 575 R CA -0.032 56.121 56.100 0.088 0.000 1.120 575 R CB 0.565 30.873 30.300 0.013 0.000 1.361 575 R HN 0.409 nan 8.270 nan 0.000 0.534 576 I N 1.369 122.055 120.570 0.193 0.000 2.436 576 I HA 0.285 4.451 4.170 -0.005 0.000 0.289 576 I C -0.176 176.122 176.117 0.302 0.000 1.010 576 I CA -0.889 60.555 61.300 0.240 0.000 1.098 576 I CB 2.123 40.212 38.000 0.148 0.000 1.266 576 I HN -0.058 nan 8.210 nan 0.000 0.434 577 M N 5.852 125.707 119.600 0.425 0.000 2.246 577 M HA 0.188 4.665 4.480 -0.005 0.000 0.350 577 M C -0.352 176.006 176.300 0.096 0.000 1.406 577 M CA 0.929 56.358 55.300 0.215 0.000 1.089 577 M CB 0.433 33.126 32.600 0.156 0.000 1.782 577 M HN 0.658 nan 8.290 nan 0.000 0.457 578 S N 2.795 118.516 115.700 0.034 0.000 2.548 578 S HA 0.637 5.104 4.470 -0.005 0.000 0.276 578 S C 0.475 175.077 174.600 0.003 0.000 1.129 578 S CA -0.366 57.850 58.200 0.028 0.000 0.931 578 S CB 1.633 64.863 63.200 0.050 0.000 1.068 578 S HN 0.895 nan 8.310 nan 0.000 0.480 579 G N 2.682 111.484 108.800 0.003 0.000 2.920 579 G HA2 0.030 3.987 3.960 -0.005 0.000 0.208 579 G HA3 0.030 3.987 3.960 -0.005 0.000 0.208 579 G C 1.081 175.986 174.900 0.008 0.000 1.159 579 G CA 0.095 45.193 45.100 -0.004 0.000 0.784 579 G HN 0.724 nan 8.290 nan 0.000 0.535 580 K N 0.639 121.055 120.400 0.027 0.000 2.032 580 K HA -0.068 4.249 4.320 -0.005 0.000 0.209 580 K C 2.703 179.334 176.600 0.051 0.000 1.048 580 K CA 1.405 57.718 56.287 0.043 0.000 0.927 580 K CB -0.225 32.308 32.500 0.055 0.000 0.712 580 K HN 0.186 nan 8.250 nan 0.000 0.441 581 A N 1.398 124.254 122.820 0.059 0.000 1.898 581 A HA -0.145 4.172 4.320 -0.005 0.000 0.216 581 A C 2.144 179.761 177.584 0.055 0.000 1.181 581 A CA 1.456 53.551 52.037 0.096 0.000 0.620 581 A CB -0.566 18.514 19.000 0.133 0.000 0.819 581 A HN 0.518 nan 8.150 nan 0.000 0.442 582 I N -0.631 119.897 120.570 -0.070 0.000 2.315 582 I HA -0.203 3.964 4.170 -0.005 0.000 0.248 582 I C 2.579 178.636 176.117 -0.100 0.000 1.117 582 I CA 1.280 62.334 61.300 -0.410 0.000 1.404 582 I CB -0.109 37.578 38.000 -0.523 0.000 1.071 582 I HN 0.321 nan 8.210 nan 0.000 0.419 583 A N -0.044 122.775 122.820 -0.002 0.000 1.969 583 A HA -0.256 4.061 4.320 -0.005 0.000 0.218 583 A C 2.248 179.888 177.584 0.093 0.000 1.169 583 A CA 1.761 53.840 52.037 0.069 0.000 0.635 583 A CB -0.615 18.411 19.000 0.044 0.000 0.810 583 A HN 0.605 nan 8.150 nan 0.000 0.445 584 E N -1.492 118.750 120.200 0.071 0.000 2.072 584 E HA -0.229 4.118 4.350 -0.005 0.000 0.191 584 E C 1.789 178.409 176.600 0.034 0.000 0.985 584 E CA 1.290 57.733 56.400 0.073 0.000 0.801 584 E CB -0.328 29.427 29.700 0.092 0.000 0.750 584 E HN 0.711 nan 8.360 nan 0.000 0.452 585 Y N -0.495 119.713 120.300 -0.154 0.000 2.128 585 Y HA -0.241 4.306 4.550 -0.006 0.000 0.284 585 Y C 1.404 177.063 175.900 -0.401 0.000 1.154 585 Y CA 1.859 59.763 58.100 -0.327 0.000 1.149 585 Y CB -0.046 38.122 38.460 -0.487 0.000 0.976 585 Y HN 0.068 nan 8.280 nan 0.000 0.505 586 F N -0.179 119.868 119.950 0.163 0.000 2.765 586 F HA 0.117 4.642 4.527 -0.005 0.000 0.302 586 F C 1.972 177.816 175.800 0.073 0.000 1.111 586 F CA 0.480 58.553 58.000 0.121 0.000 1.359 586 F CB -0.310 38.739 39.000 0.081 0.000 1.097 586 F HN 0.050 nan 8.300 nan 0.000 0.577 587 E N 2.152 122.454 120.200 0.170 0.000 2.070 587 E HA -0.196 4.151 4.350 -0.005 0.000 0.197 587 E C -0.606 176.076 176.600 0.136 0.000 1.004 587 E CA 1.884 58.364 56.400 0.134 0.000 0.805 587 E CB -1.299 28.457 29.700 0.092 0.000 0.744 587 E HN 0.141 nan 8.360 nan 0.000 0.451 588 P HA -0.151 nan 4.420 nan 0.000 0.218 588 P C 1.626 179.046 177.300 0.199 0.000 1.148 588 P CA 0.963 64.136 63.100 0.123 0.000 0.822 588 P CB -0.076 31.660 31.700 0.061 0.000 0.784 589 L N 0.138 121.502 121.223 0.236 0.000 2.027 589 L HA -0.044 4.292 4.340 -0.005 0.000 0.206 589 L C 2.817 179.883 176.870 0.327 0.000 1.074 589 L CA 1.712 56.745 54.840 0.322 0.000 0.745 589 L CB -1.039 41.254 42.059 0.389 0.000 0.898 589 L HN -0.251 nan 8.230 nan 0.000 0.433 590 R N -0.747 119.901 120.500 0.247 0.000 2.096 590 R HA -0.173 4.164 4.340 -0.005 0.000 0.240 590 R C 2.066 178.457 176.300 0.151 0.000 1.139 590 R CA 2.311 58.516 56.100 0.175 0.000 0.952 590 R CB -0.510 29.870 30.300 0.133 0.000 0.854 590 R HN 0.364 nan 8.270 nan 0.000 0.436 591 V N -0.121 119.887 119.914 0.157 0.000 2.255 591 V HA -0.282 3.834 4.120 -0.005 0.000 0.247 591 V C 1.985 178.166 176.094 0.144 0.000 1.051 591 V CA 2.194 64.571 62.300 0.128 0.000 1.018 591 V CB -0.767 31.133 31.823 0.128 0.000 0.641 591 V HN 0.585 nan 8.190 nan 0.000 0.445 592 W N 0.163 121.493 121.300 0.050 0.000 2.358 592 W HA -0.188 4.469 4.660 -0.005 0.000 0.303 592 W C 2.181 178.697 176.519 -0.005 0.000 1.208 592 W CA 1.784 59.153 57.345 0.040 0.000 1.274 592 W CB -0.259 29.245 29.460 0.073 0.000 1.138 592 W HN 0.206 nan 8.180 nan 0.000 0.515 593 L N 1.249 122.570 121.223 0.164 0.000 2.056 593 L HA -0.107 4.230 4.340 -0.005 0.000 0.207 593 L C 2.254 179.004 176.870 -0.201 0.000 1.078 593 L CA 2.180 56.971 54.840 -0.081 0.000 0.749 593 L CB -1.165 41.019 42.059 0.209 0.000 0.901 593 L HN 0.066 nan 8.230 nan 0.000 0.433 594 E N -0.371 119.778 120.200 -0.084 0.000 2.070 594 E HA -0.282 4.065 4.350 -0.005 0.000 0.197 594 E C 2.141 178.644 176.600 -0.162 0.000 1.004 594 E CA 1.374 57.721 56.400 -0.088 0.000 0.805 594 E CB -0.339 29.339 29.700 -0.036 0.000 0.744 594 E HN 0.650 nan 8.360 nan 0.000 0.451 595 A N 1.172 123.864 122.820 -0.213 0.000 1.902 595 A HA -0.247 4.070 4.320 -0.005 0.000 0.217 595 A C 2.055 179.424 177.584 -0.359 0.000 1.181 595 A CA 1.793 53.681 52.037 -0.249 0.000 0.623 595 A CB -0.425 18.437 19.000 -0.231 0.000 0.818 595 A HN 0.152 nan 8.150 nan 0.000 0.443 596 E N 0.424 120.251 120.200 -0.622 0.000 2.106 596 E HA -0.150 4.197 4.350 -0.005 0.000 0.192 596 E C 1.784 178.166 176.600 -0.363 0.000 0.984 596 E CA 1.466 57.460 56.400 -0.677 0.000 0.806 596 E CB -0.197 28.688 29.700 -1.357 0.000 0.750 596 E HN 0.553 nan 8.360 nan 0.000 0.458 597 N N -0.036 118.498 118.700 -0.276 0.000 2.188 597 N HA -0.090 4.647 4.740 -0.005 0.000 0.184 597 N C 1.809 177.222 175.510 -0.161 0.000 1.018 597 N CA 1.043 54.001 53.050 -0.154 0.000 0.858 597 N CB -0.131 38.313 38.487 -0.071 0.000 0.989 597 N HN 0.281 nan 8.380 nan 0.000 0.426 598 I N 1.127 121.604 120.570 -0.155 0.000 2.202 598 I HA -0.235 3.932 4.170 -0.005 0.000 0.242 598 I C 2.422 178.461 176.117 -0.129 0.000 1.091 598 I CA 0.969 62.195 61.300 -0.123 0.000 1.368 598 I CB -0.181 37.756 38.000 -0.104 0.000 1.058 598 I HN 0.112 nan 8.210 nan 0.000 0.410 599 K N 1.006 121.314 120.400 -0.153 0.000 2.074 599 K HA -0.198 4.119 4.320 -0.005 0.000 0.209 599 K C 1.388 177.908 176.600 -0.134 0.000 1.048 599 K CA 1.636 57.844 56.287 -0.131 0.000 0.926 599 K CB -0.043 32.370 32.500 -0.146 0.000 0.713 599 K HN 0.344 nan 8.250 nan 0.000 0.444 600 N N 1.115 119.698 118.700 -0.196 0.000 2.268 600 N HA -0.063 4.674 4.740 -0.005 0.000 0.204 600 N C -0.406 174.930 175.510 -0.290 0.000 1.124 600 N CA 0.115 53.000 53.050 -0.275 0.000 0.838 600 N CB 0.210 38.407 38.487 -0.483 0.000 0.994 600 N HN 0.227 nan 8.380 nan 0.000 0.489 601 N N 0.820 119.409 118.700 -0.186 0.000 2.725 601 N HA -0.170 4.566 4.740 -0.005 0.000 0.251 601 N C -1.111 174.316 175.510 -0.138 0.000 1.031 601 N CA 0.199 53.173 53.050 -0.127 0.000 0.720 601 N CB -1.422 37.016 38.487 -0.082 0.000 0.930 601 N HN -0.082 nan 8.380 nan 0.000 0.543 602 V N 1.841 121.647 119.914 -0.179 0.000 2.508 602 V HA 0.057 4.174 4.120 -0.005 0.000 0.281 602 V C 0.987 177.082 176.094 0.002 0.000 1.041 602 V CA -0.411 61.801 62.300 -0.146 0.000 1.016 602 V CB 0.727 32.450 31.823 -0.167 0.000 0.984 602 V HN 0.470 nan 8.190 nan 0.000 0.478 603 H N 5.823 124.888 119.070 -0.009 0.000 2.886 603 H HA 0.311 4.864 4.556 -0.005 0.000 0.329 603 H C -0.419 174.959 175.328 0.083 0.000 1.044 603 H CA -0.073 55.995 56.048 0.034 0.000 1.456 603 H CB 0.385 30.179 29.762 0.053 0.000 1.464 603 H HN 0.413 nan 8.280 nan 0.000 0.573 604 I N 4.556 124.859 120.570 -0.444 0.000 2.474 604 I HA 0.458 4.625 4.170 -0.005 0.000 0.294 604 I C 0.999 176.889 176.117 -0.378 0.000 1.005 604 I CA 0.324 61.484 61.300 -0.232 0.000 1.113 604 I CB 0.871 38.784 38.000 -0.146 0.000 1.289 604 I HN 0.972 nan 8.210 nan 0.000 0.436 605 G N 5.320 114.050 108.800 -0.118 0.000 2.712 605 G HA2 -0.055 3.902 3.960 -0.005 0.000 0.683 605 G HA3 -0.055 3.902 3.960 -0.005 0.000 0.683 605 G C -1.646 173.327 174.900 0.120 0.000 1.320 605 G CA -0.421 44.509 45.100 -0.284 0.000 0.847 605 G HN 0.960 nan 8.290 nan 0.000 0.553 606 W N -1.226 120.097 121.300 0.038 0.000 3.213 606 W HA 0.733 5.390 4.660 -0.005 0.000 0.318 606 W C 0.376 176.939 176.519 0.073 0.000 1.248 606 W CA -0.769 56.638 57.345 0.103 0.000 1.187 606 W CB 0.408 29.921 29.460 0.088 0.000 1.403 606 W HN 1.228 nan 8.180 nan 0.000 0.556 607 T N -0.708 114.020 114.554 0.290 0.000 2.860 607 T HA 0.374 4.721 4.350 -0.005 0.000 0.299 607 T C 0.327 175.174 174.700 0.245 0.000 1.045 607 T CA -0.239 61.967 62.100 0.177 0.000 1.071 607 T CB 0.748 69.686 68.868 0.117 0.000 0.985 607 T HN 0.568 nan 8.240 nan 0.000 0.537 608 T N 2.740 117.388 114.554 0.157 0.000 2.928 608 T HA 0.209 4.556 4.350 -0.005 0.000 0.305 608 T C 0.705 175.480 174.700 0.126 0.000 1.035 608 T CA -0.209 61.986 62.100 0.159 0.000 1.145 608 T CB 0.619 69.547 68.868 0.101 0.000 0.963 608 T HN 0.822 nan 8.240 nan 0.000 0.545 609 S N 2.282 118.054 115.700 0.120 0.000 2.568 609 S HA 0.047 4.514 4.470 -0.005 0.000 0.282 609 S C 1.010 175.627 174.600 0.027 0.000 1.338 609 S CA -0.609 57.622 58.200 0.052 0.000 1.045 609 S CB 0.124 63.339 63.200 0.025 0.000 0.873 609 S HN 0.639 nan 8.310 nan 0.000 0.516 610 N N 2.708 121.402 118.700 -0.011 0.000 2.238 610 N HA 0.142 4.879 4.740 -0.005 0.000 0.222 610 N C 0.159 175.637 175.510 -0.053 0.000 1.133 610 N CA -0.255 52.785 53.050 -0.017 0.000 0.854 610 N CB 0.513 38.990 38.487 -0.017 0.000 1.041 610 N HN 0.467 nan 8.380 nan 0.000 0.510 611 K N 0.168 120.511 120.400 -0.094 0.000 2.444 611 K HA 0.123 4.440 4.320 -0.005 0.000 0.193 611 K C 0.120 176.627 176.600 -0.155 0.000 1.024 611 K CA 0.003 56.185 56.287 -0.176 0.000 1.077 611 K CB -0.038 32.277 32.500 -0.309 0.000 0.833 611 K HN 0.046 nan 8.250 nan 0.000 0.517 612 c N 1.581 120.155 118.600 -0.043 0.000 2.344 612 c HA 0.400 4.966 4.570 -0.005 0.000 0.326 612 c C -0.183 173.949 174.090 0.070 0.000 1.201 612 c CA -0.771 55.586 56.329 0.046 0.000 1.410 612 c CB 0.135 42.751 42.510 0.176 0.000 2.070 612 c HN 0.011 nan 8.230 nan 0.000 0.445 613 V N 6.937 126.889 119.914 0.064 0.000 2.432 613 V HA 0.299 4.416 4.120 -0.005 0.000 0.271 613 V C 0.798 176.945 176.094 0.089 0.000 1.046 613 V CA 0.357 62.694 62.300 0.062 0.000 0.945 613 V CB 1.505 33.353 31.823 0.042 0.000 0.992 613 V HN 1.031 nan 8.190 nan 0.000 0.471 614 S N 0.000 115.752 115.700 0.086 0.000 2.498 614 S HA 0.000 4.467 4.470 -0.005 0.000 0.327 614 S CA 0.000 58.258 58.200 0.097 0.000 1.107 614 S CB 0.000 63.255 63.200 0.092 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517