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 2x95_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 0.000 177.598 177.584 0.023 0.000 1.274 17 A CA 0.000 52.043 52.037 0.011 0.000 0.836 17 A CB 0.000 19.005 19.000 0.007 0.000 0.831 18 L N 1.148 122.391 121.223 0.033 0.000 2.418 18 L HA -0.019 4.317 4.340 -0.005 0.000 0.218 18 L C 2.055 178.934 176.870 0.015 0.000 1.125 18 L CA 0.782 55.658 54.840 0.060 0.000 0.835 18 L CB -0.264 41.849 42.059 0.091 0.000 0.953 18 L HN 0.658 nan 8.230 nan 0.000 0.454 19 V N 0.572 120.488 119.914 0.003 0.000 2.270 19 V HA -0.301 3.815 4.120 -0.005 0.000 0.245 19 V C 3.093 179.172 176.094 -0.024 0.000 1.043 19 V CA 2.439 64.728 62.300 -0.017 0.000 1.014 19 V CB -1.023 30.797 31.823 -0.005 0.000 0.645 19 V HN 0.542 nan 8.190 nan 0.000 0.447 20 K N -0.134 120.264 120.400 -0.003 0.000 2.148 20 K HA -0.194 4.123 4.320 -0.005 0.000 0.204 20 K C 2.045 178.656 176.600 0.017 0.000 1.050 20 K CA 1.761 58.052 56.287 0.007 0.000 0.942 20 K CB -0.656 31.852 32.500 0.014 0.000 0.724 20 K HN 0.643 nan 8.250 nan 0.000 0.446 21 E N -0.238 119.978 120.200 0.025 0.000 2.106 21 E HA -0.173 4.174 4.350 -0.005 0.000 0.192 21 E C 2.093 178.696 176.600 0.005 0.000 0.984 21 E CA 0.996 57.445 56.400 0.082 0.000 0.806 21 E CB 0.051 29.838 29.700 0.146 0.000 0.750 21 E HN 0.726 nan 8.360 nan 0.000 0.458 22 E N 0.118 120.183 120.200 -0.226 0.000 2.204 22 E HA -0.159 4.188 4.350 -0.005 0.000 0.194 22 E C 2.004 178.482 176.600 -0.204 0.000 0.989 22 E CA 0.670 56.757 56.400 -0.521 0.000 0.824 22 E CB 0.064 29.419 29.700 -0.575 0.000 0.756 22 E HN 0.307 nan 8.360 nan 0.000 0.477 23 I N 0.544 121.066 120.570 -0.081 0.000 2.286 23 I HA -0.259 3.907 4.170 -0.005 0.000 0.245 23 I C 2.410 178.550 176.117 0.039 0.000 1.104 23 I CA 0.995 62.285 61.300 -0.016 0.000 1.397 23 I CB -0.174 37.825 38.000 -0.001 0.000 1.072 23 I HN 0.098 nan 8.210 nan 0.000 0.417 24 Q N 0.651 120.502 119.800 0.085 0.000 2.119 24 Q HA -0.140 4.196 4.340 -0.005 0.000 0.201 24 Q C 2.478 178.625 176.000 0.244 0.000 0.972 24 Q CA 1.533 57.440 55.803 0.173 0.000 0.847 24 Q CB -0.234 28.632 28.738 0.214 0.000 0.903 24 Q HN 0.573 nan 8.270 nan 0.000 0.433 25 A N 1.522 124.469 122.820 0.211 0.000 1.902 25 A HA -0.230 4.087 4.320 -0.005 0.000 0.217 25 A C 1.999 179.655 177.584 0.119 0.000 1.181 25 A CA 1.587 53.696 52.037 0.120 0.000 0.623 25 A CB -0.397 18.717 19.000 0.191 0.000 0.818 25 A HN 0.198 nan 8.150 nan 0.000 0.443 26 K N -0.216 120.227 120.400 0.072 0.000 2.057 26 K HA -0.196 4.121 4.320 -0.005 0.000 0.207 26 K C 1.921 178.535 176.600 0.022 0.000 1.049 26 K CA 1.763 58.070 56.287 0.033 0.000 0.931 26 K CB -0.174 32.335 32.500 0.015 0.000 0.714 26 K HN 0.639 nan 8.250 nan 0.000 0.440 27 E N -0.730 119.505 120.200 0.059 0.000 2.106 27 E HA -0.224 4.122 4.350 -0.005 0.000 0.192 27 E C 1.838 178.476 176.600 0.064 0.000 0.984 27 E CA 1.249 57.684 56.400 0.058 0.000 0.806 27 E CB -0.195 29.555 29.700 0.084 0.000 0.750 27 E HN 0.386 nan 8.360 nan 0.000 0.458 28 Y N 1.392 121.684 120.300 -0.015 0.000 2.181 28 Y HA -0.210 4.337 4.550 -0.005 0.000 0.288 28 Y C 1.877 177.685 175.900 -0.154 0.000 1.146 28 Y CA 1.391 59.467 58.100 -0.039 0.000 1.164 28 Y CB -0.113 38.329 38.460 -0.030 0.000 0.982 28 Y HN -0.053 nan 8.280 nan 0.000 0.515 29 L N -0.123 120.973 121.223 -0.211 0.000 2.056 29 L HA -0.187 4.150 4.340 -0.005 0.000 0.207 29 L C 2.437 179.130 176.870 -0.295 0.000 1.078 29 L CA 1.671 56.286 54.840 -0.376 0.000 0.749 29 L CB -0.549 41.305 42.059 -0.343 0.000 0.901 29 L HN 0.243 nan 8.230 nan 0.000 0.433 30 E N 0.090 120.183 120.200 -0.179 0.000 2.058 30 E HA -0.277 4.070 4.350 -0.005 0.000 0.194 30 E C 1.873 178.387 176.600 -0.143 0.000 0.997 30 E CA 1.710 58.032 56.400 -0.130 0.000 0.801 30 E CB -0.068 29.591 29.700 -0.067 0.000 0.746 30 E HN 0.377 nan 8.360 nan 0.000 0.450 31 N N 0.296 118.901 118.700 -0.160 0.000 2.106 31 N HA -0.164 4.573 4.740 -0.005 0.000 0.188 31 N C 1.736 177.118 175.510 -0.214 0.000 1.029 31 N CA 0.718 53.676 53.050 -0.155 0.000 0.848 31 N CB -0.125 38.290 38.487 -0.121 0.000 1.007 31 N HN 0.063 nan 8.380 nan 0.000 0.423 32 L N 0.903 121.916 121.223 -0.350 0.000 2.093 32 L HA -0.015 4.322 4.340 -0.005 0.000 0.208 32 L C 1.716 178.429 176.870 -0.262 0.000 1.085 32 L CA 1.590 56.216 54.840 -0.356 0.000 0.755 32 L CB -1.009 40.674 42.059 -0.627 0.000 0.904 32 L HN 0.254 nan 8.230 nan 0.000 0.435 33 N N -0.016 118.536 118.700 -0.247 0.000 2.104 33 N HA -0.207 4.530 4.740 -0.005 0.000 0.190 33 N C 1.764 177.175 175.510 -0.165 0.000 1.024 33 N CA 1.536 54.489 53.050 -0.161 0.000 0.853 33 N CB -0.100 38.312 38.487 -0.123 0.000 1.008 33 N HN 0.469 nan 8.380 nan 0.000 0.424 34 K N 0.915 121.228 120.400 -0.144 0.000 2.097 34 K HA -0.148 4.169 4.320 -0.005 0.000 0.206 34 K C 1.919 178.408 176.600 -0.184 0.000 1.049 34 K CA 0.934 57.147 56.287 -0.123 0.000 0.933 34 K CB -0.078 32.371 32.500 -0.085 0.000 0.717 34 K HN 0.293 nan 8.250 nan 0.000 0.442 35 E N 1.283 121.360 120.200 -0.205 0.000 2.072 35 E HA -0.156 4.191 4.350 -0.005 0.000 0.191 35 E C 1.942 178.323 176.600 -0.364 0.000 0.985 35 E CA 0.768 57.020 56.400 -0.246 0.000 0.801 35 E CB 0.010 29.601 29.700 -0.181 0.000 0.750 35 E HN 0.187 nan 8.360 nan 0.000 0.452 36 L N 0.324 121.288 121.223 -0.432 0.000 2.056 36 L HA -0.127 4.210 4.340 -0.005 0.000 0.207 36 L C 2.662 178.857 176.870 -1.124 0.000 1.078 36 L CA 1.012 55.409 54.840 -0.738 0.000 0.749 36 L CB -0.480 41.056 42.059 -0.872 0.000 0.901 36 L HN 0.255 nan 8.230 nan 0.000 0.433 37 A N 0.029 122.254 122.820 -0.993 0.000 1.908 37 A HA -0.269 4.047 4.320 -0.005 0.000 0.218 37 A C 2.297 179.722 177.584 -0.265 0.000 1.181 37 A CA 2.083 53.788 52.037 -0.553 0.000 0.627 37 A CB -0.396 18.573 19.000 -0.051 0.000 0.818 37 A HN 0.211 nan 8.150 nan 0.000 0.445 38 K N -0.148 120.108 120.400 -0.239 0.000 2.057 38 K HA -0.025 4.291 4.320 -0.005 0.000 0.206 38 K C 2.144 178.641 176.600 -0.172 0.000 1.050 38 K CA 1.460 57.657 56.287 -0.150 0.000 0.935 38 K CB -0.240 32.173 32.500 -0.146 0.000 0.715 38 K HN 0.464 nan 8.250 nan 0.000 0.439 39 R N -0.911 119.422 120.500 -0.278 0.000 2.092 39 R HA -0.024 4.313 4.340 -0.005 0.000 0.231 39 R C 2.008 178.204 176.300 -0.175 0.000 1.119 39 R CA 1.714 57.659 56.100 -0.258 0.000 0.970 39 R CB -0.268 29.800 30.300 -0.386 0.000 0.864 39 R HN 0.194 nan 8.270 nan 0.000 0.440 40 T N 0.927 115.341 114.554 -0.233 0.000 2.904 40 T HA -0.123 4.224 4.350 -0.005 0.000 0.267 40 T C 1.528 176.253 174.700 0.041 0.000 1.059 40 T CA 1.001 63.021 62.100 -0.134 0.000 1.137 40 T CB -0.311 68.381 68.868 -0.294 0.000 0.879 40 T HN 0.365 nan 8.240 nan 0.000 0.467 41 N N 1.345 120.089 118.700 0.075 0.000 2.061 41 N HA -0.149 4.588 4.740 -0.005 0.000 0.193 41 N C 1.857 177.473 175.510 0.176 0.000 1.030 41 N CA 1.556 54.721 53.050 0.192 0.000 0.856 41 N CB -0.283 38.295 38.487 0.152 0.000 1.023 41 N HN 0.225 nan 8.380 nan 0.000 0.424 42 V N 1.543 121.508 119.914 0.084 0.000 2.287 42 V HA -0.190 3.926 4.120 -0.005 0.000 0.248 42 V C 2.557 178.719 176.094 0.114 0.000 1.053 42 V CA 2.046 64.393 62.300 0.078 0.000 1.027 42 V CB -0.769 31.063 31.823 0.015 0.000 0.646 42 V HN 0.434 nan 8.190 nan 0.000 0.447 43 E N 0.094 120.352 120.200 0.097 0.000 2.051 43 E HA -0.232 4.115 4.350 -0.005 0.000 0.192 43 E C 2.227 178.946 176.600 0.198 0.000 0.991 43 E CA 1.976 58.451 56.400 0.124 0.000 0.799 43 E CB -0.137 29.620 29.700 0.095 0.000 0.748 43 E HN 0.647 nan 8.360 nan 0.000 0.449 44 T N 1.359 116.043 114.554 0.215 0.000 2.788 44 T HA -0.129 4.217 4.350 -0.005 0.000 0.268 44 T C 1.584 176.538 174.700 0.423 0.000 1.044 44 T CA 1.107 63.368 62.100 0.268 0.000 1.139 44 T CB -0.150 68.751 68.868 0.055 0.000 0.867 44 T HN 0.179 nan 8.240 nan 0.000 0.454 45 E N 1.267 121.728 120.200 0.435 0.000 2.077 45 E HA -0.078 4.269 4.350 -0.005 0.000 0.193 45 E C 2.608 179.421 176.600 0.355 0.000 0.989 45 E CA 1.232 57.898 56.400 0.443 0.000 0.800 45 E CB -0.433 29.423 29.700 0.260 0.000 0.746 45 E HN 0.522 nan 8.360 nan 0.000 0.452 46 A N 1.355 124.335 122.820 0.267 0.000 1.933 46 A HA -0.062 4.255 4.320 -0.005 0.000 0.218 46 A C 2.396 180.143 177.584 0.272 0.000 1.175 46 A CA 1.917 54.087 52.037 0.221 0.000 0.628 46 A CB -0.457 18.634 19.000 0.152 0.000 0.814 46 A HN 0.266 nan 8.150 nan 0.000 0.444 47 A N -1.176 121.850 122.820 0.343 0.000 1.930 47 A HA -0.143 4.174 4.320 -0.005 0.000 0.217 47 A C 2.083 179.926 177.584 0.432 0.000 1.175 47 A CA 1.288 53.593 52.037 0.446 0.000 0.627 47 A CB -0.844 18.477 19.000 0.535 0.000 0.815 47 A HN 0.874 nan 8.150 nan 0.000 0.443 48 W N 0.964 122.296 121.300 0.053 0.000 2.355 48 W HA -0.176 4.482 4.660 -0.003 0.000 0.309 48 W C 2.147 178.568 176.519 -0.163 0.000 1.206 48 W CA 2.077 59.157 57.345 -0.441 0.000 1.284 48 W CB -0.437 28.838 29.460 -0.309 0.000 1.145 48 W HN 0.404 nan 8.180 nan 0.000 0.502 49 A N -0.292 122.610 122.820 0.137 0.000 1.972 49 A HA -0.267 4.050 4.320 -0.005 0.000 0.219 49 A C 1.830 179.422 177.584 0.015 0.000 1.169 49 A CA 1.714 53.784 52.037 0.055 0.000 0.635 49 A CB -1.485 17.613 19.000 0.163 0.000 0.810 49 A HN 0.528 nan 8.150 nan 0.000 0.446 50 Y N 0.509 120.794 120.300 -0.024 0.000 2.206 50 Y HA 0.087 4.634 4.550 -0.006 0.000 0.292 50 Y C 2.425 178.299 175.900 -0.042 0.000 1.123 50 Y CA 1.220 59.318 58.100 -0.004 0.000 1.142 50 Y CB -0.790 37.706 38.460 0.061 0.000 1.006 50 Y HN 0.210 nan 8.280 nan 0.000 0.518 51 G N -1.322 107.404 108.800 -0.124 0.000 2.443 51 G HA2 -0.186 3.770 3.960 -0.005 0.000 0.219 51 G HA3 -0.186 3.770 3.960 -0.005 0.000 0.219 51 G C 1.638 176.323 174.900 -0.358 0.000 1.131 51 G CA 1.055 46.032 45.100 -0.206 0.000 0.775 51 G HN 0.426 nan 8.290 nan 0.000 0.547 52 S N -0.330 115.064 115.700 -0.510 0.000 2.528 52 S HA 0.098 4.565 4.470 -0.005 0.000 0.219 52 S C 0.604 175.024 174.600 -0.301 0.000 0.985 52 S CA 0.047 57.936 58.200 -0.518 0.000 0.914 52 S CB 0.162 62.904 63.200 -0.764 0.000 0.776 52 S HN 0.384 nan 8.310 nan 0.000 0.526 53 N N 0.823 119.370 118.700 -0.254 0.000 2.976 53 N HA 0.206 4.943 4.740 -0.005 0.000 0.220 53 N C -1.537 173.877 175.510 -0.159 0.000 1.428 53 N CA -0.098 52.856 53.050 -0.160 0.000 0.748 53 N CB 0.039 38.470 38.487 -0.095 0.000 1.484 53 N HN 0.046 nan 8.380 nan 0.000 0.578 54 I N 2.318 122.748 120.570 -0.235 0.000 2.494 54 I HA 0.136 4.303 4.170 -0.005 0.000 0.289 54 I C 0.610 176.715 176.117 -0.020 0.000 1.106 54 I CA 0.336 61.466 61.300 -0.284 0.000 1.369 54 I CB 0.188 37.989 38.000 -0.332 0.000 1.410 54 I HN 0.442 nan 8.210 nan 0.000 0.523 55 T N 0.013 114.647 114.554 0.134 0.000 2.883 55 T HA 0.288 4.635 4.350 -0.005 0.000 0.296 55 T C 0.455 175.273 174.700 0.196 0.000 1.117 55 T CA -0.875 61.306 62.100 0.135 0.000 1.006 55 T CB 2.055 70.977 68.868 0.089 0.000 1.191 55 T HN 0.340 nan 8.240 nan 0.000 0.508 56 D N 0.257 120.730 120.400 0.122 0.000 2.178 56 D HA -0.090 4.546 4.640 -0.005 0.000 0.201 56 D C 1.630 177.970 176.300 0.067 0.000 0.980 56 D CA 1.191 55.245 54.000 0.091 0.000 0.842 56 D CB 0.071 40.906 40.800 0.059 0.000 0.948 56 D HN 0.817 nan 8.370 nan 0.000 0.472 57 E N 0.286 120.528 120.200 0.070 0.000 2.072 57 E HA -0.138 4.208 4.350 -0.005 0.000 0.191 57 E C 1.550 178.187 176.600 0.062 0.000 0.985 57 E CA 0.657 57.089 56.400 0.054 0.000 0.801 57 E CB 0.196 29.927 29.700 0.050 0.000 0.750 57 E HN 0.083 nan 8.360 nan 0.000 0.452 58 N N 0.881 119.651 118.700 0.117 0.000 2.270 58 N HA -0.160 4.577 4.740 -0.005 0.000 0.181 58 N C 1.608 177.141 175.510 0.040 0.000 1.016 58 N CA 0.792 53.935 53.050 0.155 0.000 0.870 58 N CB -0.206 38.445 38.487 0.273 0.000 0.979 58 N HN 0.349 nan 8.380 nan 0.000 0.431 59 E N 1.365 121.526 120.200 -0.066 0.000 2.031 59 E HA -0.194 4.153 4.350 -0.005 0.000 0.193 59 E C 1.831 178.283 176.600 -0.246 0.000 0.994 59 E CA 1.100 57.208 56.400 -0.486 0.000 0.800 59 E CB 0.061 29.596 29.700 -0.275 0.000 0.752 59 E HN 0.192 nan 8.360 nan 0.000 0.447 60 K N 0.561 120.902 120.400 -0.098 0.000 2.032 60 K HA -0.205 4.111 4.320 -0.005 0.000 0.209 60 K C 2.167 178.745 176.600 -0.037 0.000 1.048 60 K CA 1.802 58.058 56.287 -0.052 0.000 0.927 60 K CB 0.052 32.543 32.500 -0.014 0.000 0.712 60 K HN 0.003 nan 8.250 nan 0.000 0.441 61 K N 0.543 120.932 120.400 -0.018 0.000 2.025 61 K HA -0.170 4.146 4.320 -0.005 0.000 0.207 61 K C 2.224 178.829 176.600 0.009 0.000 1.049 61 K CA 1.403 57.697 56.287 0.010 0.000 0.933 61 K CB -0.124 32.398 32.500 0.038 0.000 0.714 61 K HN 0.118 nan 8.250 nan 0.000 0.438 62 K N 1.055 121.440 120.400 -0.024 0.000 2.032 62 K HA -0.192 4.125 4.320 -0.005 0.000 0.209 62 K C 1.690 178.283 176.600 -0.012 0.000 1.048 62 K CA 1.746 58.026 56.287 -0.013 0.000 0.927 62 K CB -0.009 32.427 32.500 -0.107 0.000 0.712 62 K HN 0.060 nan 8.250 nan 0.000 0.441 63 N N 0.899 119.560 118.700 -0.065 0.000 2.216 63 N HA -0.103 4.634 4.740 -0.005 0.000 0.183 63 N C 1.482 177.004 175.510 0.021 0.000 1.017 63 N CA 1.078 54.103 53.050 -0.042 0.000 0.861 63 N CB -0.036 38.395 38.487 -0.094 0.000 0.986 63 N HN 0.358 nan 8.380 nan 0.000 0.428 64 E N 0.226 120.437 120.200 0.018 0.000 2.107 64 E HA -0.030 4.317 4.350 -0.005 0.000 0.191 64 E C 1.597 178.233 176.600 0.061 0.000 0.982 64 E CA 0.459 56.884 56.400 0.041 0.000 0.809 64 E CB 0.113 29.828 29.700 0.025 0.000 0.756 64 E HN 0.215 nan 8.360 nan 0.000 0.459 65 I N 0.855 121.460 120.570 0.057 0.000 2.315 65 I HA -0.186 3.981 4.170 -0.005 0.000 0.248 65 I C 2.253 178.424 176.117 0.090 0.000 1.117 65 I CA 1.106 62.443 61.300 0.062 0.000 1.404 65 I CB -1.117 36.920 38.000 0.061 0.000 1.071 65 I HN -0.025 nan 8.210 nan 0.000 0.419 66 S N 1.090 116.865 115.700 0.125 0.000 2.382 66 S HA -0.102 4.365 4.470 -0.005 0.000 0.228 66 S C 2.247 177.027 174.600 0.300 0.000 1.027 66 S CA 1.299 59.622 58.200 0.206 0.000 0.991 66 S CB -0.237 63.097 63.200 0.223 0.000 0.823 66 S HN 0.548 nan 8.310 nan 0.000 0.469 67 A N 1.207 124.206 122.820 0.299 0.000 1.933 67 A HA -0.153 4.164 4.320 -0.005 0.000 0.218 67 A C 2.014 179.662 177.584 0.107 0.000 1.175 67 A CA 1.701 53.909 52.037 0.285 0.000 0.628 67 A CB -0.536 18.598 19.000 0.224 0.000 0.814 67 A HN 0.598 nan 8.150 nan 0.000 0.444 68 E N -0.686 119.565 120.200 0.085 0.000 2.072 68 E HA -0.176 4.171 4.350 -0.005 0.000 0.191 68 E C 1.897 178.526 176.600 0.048 0.000 0.985 68 E CA 1.220 57.651 56.400 0.051 0.000 0.801 68 E CB -0.173 29.546 29.700 0.032 0.000 0.750 68 E HN 0.448 nan 8.360 nan 0.000 0.452 69 L N 0.764 122.014 121.223 0.046 0.000 2.093 69 L HA -0.051 4.285 4.340 -0.005 0.000 0.208 69 L C 2.208 179.101 176.870 0.039 0.000 1.085 69 L CA 2.058 56.926 54.840 0.047 0.000 0.755 69 L CB -0.657 41.421 42.059 0.032 0.000 0.904 69 L HN 0.164 nan 8.230 nan 0.000 0.435 70 A N -0.572 122.210 122.820 -0.063 0.000 1.908 70 A HA -0.284 4.032 4.320 -0.005 0.000 0.218 70 A C 2.459 179.953 177.584 -0.151 0.000 1.181 70 A CA 2.045 53.934 52.037 -0.246 0.000 0.627 70 A CB -0.633 17.900 19.000 -0.778 0.000 0.818 70 A HN 0.493 nan 8.150 nan 0.000 0.445 71 K N -1.677 118.681 120.400 -0.071 0.000 2.057 71 K HA -0.164 4.153 4.320 -0.005 0.000 0.207 71 K C 1.754 178.370 176.600 0.025 0.000 1.049 71 K CA 1.690 57.965 56.287 -0.020 0.000 0.931 71 K CB -0.311 32.201 32.500 0.020 0.000 0.714 71 K HN 0.441 nan 8.250 nan 0.000 0.440 72 F N 0.983 120.890 119.950 -0.072 0.000 2.186 72 F HA -0.186 4.337 4.527 -0.006 0.000 0.299 72 F C 1.885 177.646 175.800 -0.066 0.000 1.090 72 F CA 1.154 59.115 58.000 -0.064 0.000 1.307 72 F CB -0.030 38.925 39.000 -0.076 0.000 1.019 72 F HN 0.006 nan 8.300 nan 0.000 0.489 73 M N 0.415 119.960 119.600 -0.091 0.000 2.117 73 M HA -0.199 4.278 4.480 -0.005 0.000 0.262 73 M C 2.116 178.306 176.300 -0.183 0.000 1.065 73 M CA 1.479 56.681 55.300 -0.163 0.000 1.114 73 M CB -1.361 31.194 32.600 -0.074 0.000 1.361 73 M HN 0.129 nan 8.290 nan 0.000 0.408 74 K N 0.265 120.580 120.400 -0.141 0.000 2.032 74 K HA -0.193 4.124 4.320 -0.005 0.000 0.209 74 K C 1.943 178.469 176.600 -0.123 0.000 1.048 74 K CA 1.602 57.823 56.287 -0.109 0.000 0.927 74 K CB -0.125 32.324 32.500 -0.084 0.000 0.712 74 K HN 0.453 nan 8.250 nan 0.000 0.441 75 E N 0.093 120.187 120.200 -0.176 0.000 2.110 75 E HA -0.161 4.185 4.350 -0.005 0.000 0.193 75 E C 2.002 178.477 176.600 -0.208 0.000 0.988 75 E CA 1.088 57.379 56.400 -0.181 0.000 0.804 75 E CB 0.057 29.635 29.700 -0.203 0.000 0.745 75 E HN 0.045 nan 8.360 nan 0.000 0.458 76 V N 1.338 121.044 119.914 -0.346 0.000 2.270 76 V HA -0.272 3.845 4.120 -0.005 0.000 0.245 76 V C 2.351 178.409 176.094 -0.060 0.000 1.043 76 V CA 1.873 64.026 62.300 -0.244 0.000 1.014 76 V CB -0.769 30.830 31.823 -0.373 0.000 0.645 76 V HN 0.336 nan 8.190 nan 0.000 0.447 77 A N -0.564 122.214 122.820 -0.071 0.000 1.948 77 A HA -0.283 4.034 4.320 -0.005 0.000 0.220 77 A C 2.567 180.171 177.584 0.033 0.000 1.177 77 A CA 2.462 54.497 52.037 -0.005 0.000 0.636 77 A CB -0.849 18.139 19.000 -0.021 0.000 0.815 77 A HN 0.511 nan 8.150 nan 0.000 0.449 78 S N -0.419 115.282 115.700 0.001 0.000 2.368 78 S HA -0.177 4.290 4.470 -0.005 0.000 0.225 78 S C 1.562 176.187 174.600 0.041 0.000 1.030 78 S CA 1.681 59.888 58.200 0.011 0.000 0.999 78 S CB -0.495 62.696 63.200 -0.016 0.000 0.844 78 S HN 0.554 nan 8.310 nan 0.000 0.459 79 D N 0.701 121.138 120.400 0.062 0.000 2.269 79 D HA -0.027 4.610 4.640 -0.005 0.000 0.208 79 D C 2.218 178.648 176.300 0.216 0.000 0.963 79 D CA 1.514 55.580 54.000 0.110 0.000 0.864 79 D CB -0.620 40.283 40.800 0.171 0.000 0.936 79 D HN 0.707 nan 8.370 nan 0.000 0.505 80 T N -1.844 112.878 114.554 0.280 0.000 2.915 80 T HA -0.149 4.198 4.350 -0.005 0.000 0.269 80 T C 1.949 176.870 174.700 0.370 0.000 1.071 80 T CA 1.683 64.054 62.100 0.453 0.000 1.132 80 T CB -0.729 68.379 68.868 0.400 0.000 0.878 80 T HN 0.166 nan 8.240 nan 0.000 0.479 81 T N -0.369 114.301 114.554 0.193 0.000 3.051 81 T HA 0.094 4.441 4.350 -0.005 0.000 0.269 81 T C 1.709 176.400 174.700 -0.015 0.000 1.127 81 T CA 0.584 62.732 62.100 0.080 0.000 1.107 81 T CB -0.448 68.437 68.868 0.028 0.000 0.898 81 T HN 0.468 nan 8.240 nan 0.000 0.517 82 K N -0.107 120.259 120.400 -0.056 0.000 2.366 82 K HA 0.212 4.528 4.320 -0.005 0.000 0.198 82 K C -0.387 175.951 176.600 -0.437 0.000 1.044 82 K CA 0.340 56.462 56.287 -0.274 0.000 0.973 82 K CB 0.031 32.289 32.500 -0.402 0.000 0.767 82 K HN 0.396 nan 8.250 nan 0.000 0.475 83 F N 1.248 121.138 119.950 -0.099 0.000 2.443 83 F HA 0.192 4.716 4.527 -0.004 0.000 0.335 83 F C 0.673 176.307 175.800 -0.277 0.000 1.104 83 F CA -1.023 56.883 58.000 -0.157 0.000 1.013 83 F CB 1.400 40.230 39.000 -0.283 0.000 1.136 83 F HN -0.223 nan 8.300 nan 0.000 0.470 84 Q N 4.772 124.499 119.800 -0.123 0.000 2.945 84 Q HA -0.041 4.296 4.340 -0.005 0.000 0.323 84 Q C 1.293 176.808 176.000 -0.809 0.000 1.188 84 Q CA -0.115 55.482 55.803 -0.343 0.000 0.929 84 Q CB -0.346 28.298 28.738 -0.157 0.000 1.531 84 Q HN 0.921 nan 8.270 nan 0.000 0.444 85 W N 0.055 120.742 121.300 -1.022 0.000 2.374 85 W HA -0.122 4.535 4.660 -0.005 0.000 0.288 85 W C 0.755 176.756 176.519 -0.863 0.000 1.218 85 W CA 0.209 56.625 57.345 -1.549 0.000 1.245 85 W CB -0.491 28.171 29.460 -1.329 0.000 1.126 85 W HN 0.242 nan 8.180 nan 0.000 0.545 86 R N 0.856 120.724 120.500 -1.054 0.000 2.241 86 R HA -0.060 4.277 4.340 -0.005 0.000 0.224 86 R C 2.102 178.194 176.300 -0.348 0.000 1.101 86 R CA 1.472 57.143 56.100 -0.714 0.000 0.995 86 R CB -0.225 29.553 30.300 -0.871 0.000 0.870 86 R HN 0.071 nan 8.270 nan 0.000 0.463 87 S N -0.426 115.067 115.700 -0.344 0.000 2.575 87 S HA 0.086 4.553 4.470 -0.005 0.000 0.215 87 S C -0.180 174.482 174.600 0.103 0.000 0.966 87 S CA -0.037 58.095 58.200 -0.113 0.000 0.911 87 S CB 0.081 63.227 63.200 -0.089 0.000 0.780 87 S HN 0.129 nan 8.310 nan 0.000 0.514 88 Y N 2.637 122.940 120.300 0.006 0.000 2.379 88 Y HA 0.217 4.764 4.550 -0.005 0.000 0.337 88 Y C 1.744 177.674 175.900 0.049 0.000 1.238 88 Y CA -1.362 56.765 58.100 0.045 0.000 1.405 88 Y CB 0.302 38.817 38.460 0.091 0.000 1.310 88 Y HN 0.062 nan 8.280 nan 0.000 0.569 89 Q N 0.601 120.524 119.800 0.205 0.000 2.137 89 Q HA -0.061 4.276 4.340 -0.005 0.000 0.198 89 Q C 0.700 176.775 176.000 0.125 0.000 0.960 89 Q CA 0.631 56.506 55.803 0.120 0.000 0.847 89 Q CB -0.157 28.621 28.738 0.067 0.000 0.915 89 Q HN 0.534 nan 8.270 nan 0.000 0.448 90 S N 1.496 117.283 115.700 0.146 0.000 2.430 90 S HA 0.027 4.494 4.470 -0.005 0.000 0.282 90 S C 1.049 175.755 174.600 0.175 0.000 1.186 90 S CA -0.369 57.912 58.200 0.135 0.000 1.060 90 S CB 0.564 63.832 63.200 0.114 0.000 0.966 90 S HN 0.059 nan 8.310 nan 0.000 0.501 91 E N 3.761 124.041 120.200 0.133 0.000 2.118 91 E HA -0.169 4.178 4.350 -0.005 0.000 0.195 91 E C 1.321 178.012 176.600 0.151 0.000 0.992 91 E CA 1.322 57.801 56.400 0.132 0.000 0.804 91 E CB -0.207 29.544 29.700 0.085 0.000 0.741 91 E HN 0.867 nan 8.360 nan 0.000 0.458 92 D N 0.443 120.930 120.400 0.145 0.000 2.097 92 D HA -0.111 4.526 4.640 -0.005 0.000 0.195 92 D C 2.137 178.555 176.300 0.197 0.000 0.989 92 D CA 0.855 54.963 54.000 0.179 0.000 0.827 92 D CB -0.084 40.809 40.800 0.156 0.000 0.966 92 D HN 0.080 nan 8.370 nan 0.000 0.456 93 L N -0.016 121.330 121.223 0.205 0.000 2.046 93 L HA -0.125 4.212 4.340 -0.005 0.000 0.208 93 L C 2.530 179.621 176.870 0.369 0.000 1.077 93 L CA 1.113 56.118 54.840 0.275 0.000 0.747 93 L CB -0.428 41.842 42.059 0.351 0.000 0.896 93 L HN 0.042 nan 8.230 nan 0.000 0.432 94 K N -0.102 120.516 120.400 0.363 0.000 2.097 94 K HA -0.212 4.105 4.320 -0.005 0.000 0.206 94 K C 2.241 178.928 176.600 0.145 0.000 1.049 94 K CA 1.200 57.703 56.287 0.359 0.000 0.933 94 K CB -0.194 32.540 32.500 0.391 0.000 0.717 94 K HN 0.193 nan 8.250 nan 0.000 0.442 95 R N 1.510 122.097 120.500 0.146 0.000 2.096 95 R HA -0.157 4.180 4.340 -0.005 0.000 0.235 95 R C 2.158 178.468 176.300 0.016 0.000 1.127 95 R CA 1.503 57.666 56.100 0.106 0.000 0.968 95 R CB 0.061 30.469 30.300 0.180 0.000 0.861 95 R HN 0.269 nan 8.270 nan 0.000 0.440 96 Q N -0.754 119.021 119.800 -0.042 0.000 2.046 96 Q HA -0.155 4.182 4.340 -0.005 0.000 0.200 96 Q C 1.971 177.743 176.000 -0.380 0.000 0.975 96 Q CA 1.620 57.254 55.803 -0.282 0.000 0.836 96 Q CB -0.127 28.375 28.738 -0.395 0.000 0.896 96 Q HN 0.300 nan 8.270 nan 0.000 0.428 97 F N 1.314 120.994 119.950 -0.451 0.000 2.126 97 F HA -0.200 4.324 4.527 -0.005 0.000 0.299 97 F C 2.427 177.640 175.800 -0.978 0.000 1.096 97 F CA 1.383 58.912 58.000 -0.784 0.000 1.255 97 F CB -0.098 38.188 39.000 -1.190 0.000 0.997 97 F HN -0.024 nan 8.300 nan 0.000 0.479 98 K N 0.202 120.134 120.400 -0.779 0.000 2.057 98 K HA -0.164 4.153 4.320 -0.005 0.000 0.207 98 K C 2.265 178.729 176.600 -0.226 0.000 1.049 98 K CA 1.133 57.111 56.287 -0.515 0.000 0.931 98 K CB -0.305 32.068 32.500 -0.212 0.000 0.714 98 K HN 0.203 nan 8.250 nan 0.000 0.440 99 A N 1.168 123.873 122.820 -0.192 0.000 1.940 99 A HA -0.147 4.170 4.320 -0.005 0.000 0.219 99 A C 2.036 179.537 177.584 -0.139 0.000 1.176 99 A CA 1.355 53.312 52.037 -0.134 0.000 0.631 99 A CB -0.579 18.338 19.000 -0.138 0.000 0.814 99 A HN 0.324 nan 8.150 nan 0.000 0.446 100 L N -0.083 121.021 121.223 -0.198 0.000 2.217 100 L HA -0.112 4.224 4.340 -0.005 0.000 0.211 100 L C 2.823 179.637 176.870 -0.093 0.000 1.107 100 L CA 1.541 56.286 54.840 -0.157 0.000 0.783 100 L CB -0.714 41.215 42.059 -0.217 0.000 0.919 100 L HN 0.654 nan 8.230 nan 0.000 0.442 101 T N -3.196 111.305 114.554 -0.088 0.000 2.995 101 T HA -0.105 4.242 4.350 -0.005 0.000 0.269 101 T C 0.967 175.671 174.700 0.005 0.000 1.091 101 T CA 0.335 62.431 62.100 -0.007 0.000 1.128 101 T CB -0.231 68.674 68.868 0.062 0.000 0.891 101 T HN 0.120 nan 8.240 nan 0.000 0.492 102 K N 1.422 121.821 120.400 -0.001 0.000 2.220 102 K HA 0.375 4.691 4.320 -0.005 0.000 0.283 102 K C 0.589 177.202 176.600 0.022 0.000 1.098 102 K CA -0.247 56.064 56.287 0.041 0.000 0.928 102 K CB 0.587 33.126 32.500 0.063 0.000 1.214 102 K HN 0.260 nan 8.250 nan 0.000 0.442 103 L N 1.852 123.092 121.223 0.029 0.000 2.270 103 L HA -0.001 4.336 4.340 -0.005 0.000 0.210 103 L C 1.462 178.343 176.870 0.018 0.000 1.104 103 L CA 0.698 55.542 54.840 0.008 0.000 0.804 103 L CB -0.541 41.519 42.059 0.000 0.000 0.937 103 L HN 1.038 nan 8.230 nan 0.000 0.450 104 G N -0.016 108.809 108.800 0.042 0.000 2.611 104 G HA2 -0.411 3.545 3.960 -0.005 0.000 0.301 104 G HA3 -0.411 3.545 3.960 -0.005 0.000 0.301 104 G C 0.444 175.419 174.900 0.126 0.000 1.233 104 G CA 0.724 45.826 45.100 0.004 0.000 0.993 104 G HN 0.094 nan 8.290 nan 0.000 0.553 105 Y N 1.010 121.370 120.300 0.101 0.000 2.333 105 Y HA 0.158 4.705 4.550 -0.005 0.000 0.290 105 Y C 3.262 179.235 175.900 0.121 0.000 1.144 105 Y CA 1.391 59.599 58.100 0.180 0.000 1.228 105 Y CB -1.265 37.394 38.460 0.333 0.000 0.985 105 Y HN 0.698 nan 8.280 nan 0.000 0.542 106 A N -0.180 122.696 122.820 0.093 0.000 2.225 106 A HA 0.078 4.395 4.320 -0.005 0.000 0.215 106 A C 2.366 179.888 177.584 -0.104 0.000 1.164 106 A CA 1.138 53.056 52.037 -0.200 0.000 0.710 106 A CB -0.829 18.064 19.000 -0.179 0.000 0.780 106 A HN 0.336 nan 8.150 nan 0.000 0.473 107 A N -0.561 122.263 122.820 0.007 0.000 2.119 107 A HA 0.334 4.650 4.320 -0.005 0.000 0.216 107 A C 0.979 178.574 177.584 0.019 0.000 1.152 107 A CA -0.034 52.009 52.037 0.010 0.000 0.708 107 A CB -0.305 18.716 19.000 0.035 0.000 0.805 107 A HN 0.450 nan 8.150 nan 0.000 0.460 108 L N 0.900 122.159 121.223 0.059 0.000 2.483 108 L HA 0.155 4.492 4.340 -0.005 0.000 0.276 108 L C -2.100 174.799 176.870 0.048 0.000 1.213 108 L CA -1.757 53.127 54.840 0.073 0.000 0.843 108 L CB 0.166 42.313 42.059 0.148 0.000 1.107 108 L HN 0.068 nan 8.230 nan 0.000 0.487 109 P HA -0.079 nan 4.420 nan 0.000 0.267 109 P C 0.465 177.801 177.300 0.061 0.000 1.201 109 P CA 0.031 63.150 63.100 0.032 0.000 0.775 109 P CB 0.499 32.212 31.700 0.023 0.000 0.854 110 E N 1.502 121.731 120.200 0.047 0.000 2.086 110 E HA -0.342 4.005 4.350 -0.005 0.000 0.205 110 E C 0.921 177.580 176.600 0.098 0.000 1.027 110 E CA 2.003 58.446 56.400 0.072 0.000 0.830 110 E CB -0.183 29.544 29.700 0.045 0.000 0.751 110 E HN 0.397 nan 8.360 nan 0.000 0.456 111 D N 0.348 120.784 120.400 0.060 0.000 2.117 111 D HA -0.139 4.497 4.640 -0.005 0.000 0.197 111 D C 1.617 177.941 176.300 0.039 0.000 0.987 111 D CA 1.154 55.180 54.000 0.043 0.000 0.829 111 D CB -0.398 40.415 40.800 0.023 0.000 0.961 111 D HN 0.256 nan 8.370 nan 0.000 0.460 112 D N -0.548 119.878 120.400 0.045 0.000 2.117 112 D HA -0.163 4.474 4.640 -0.005 0.000 0.197 112 D C 1.917 178.239 176.300 0.036 0.000 0.987 112 D CA 0.595 54.610 54.000 0.025 0.000 0.829 112 D CB -0.404 40.409 40.800 0.022 0.000 0.961 112 D HN 0.265 nan 8.370 nan 0.000 0.460 113 Y N 1.691 121.974 120.300 -0.029 0.000 2.145 113 Y HA -0.182 4.364 4.550 -0.006 0.000 0.286 113 Y C 2.296 178.182 175.900 -0.023 0.000 1.145 113 Y CA 1.641 59.727 58.100 -0.024 0.000 1.148 113 Y CB -0.412 38.054 38.460 0.010 0.000 0.981 113 Y HN -0.051 nan 8.280 nan 0.000 0.507 114 A N -0.048 122.782 122.820 0.017 0.000 1.902 114 A HA -0.251 4.066 4.320 -0.005 0.000 0.217 114 A C 2.241 179.760 177.584 -0.109 0.000 1.181 114 A CA 1.911 53.915 52.037 -0.054 0.000 0.623 114 A CB -0.897 18.114 19.000 0.020 0.000 0.818 114 A HN 0.642 nan 8.150 nan 0.000 0.443 115 E N -0.703 119.449 120.200 -0.080 0.000 2.077 115 E HA -0.197 4.150 4.350 -0.005 0.000 0.193 115 E C 1.910 178.437 176.600 -0.122 0.000 0.989 115 E CA 1.301 57.654 56.400 -0.079 0.000 0.800 115 E CB -0.180 29.489 29.700 -0.052 0.000 0.746 115 E HN 0.443 nan 8.360 nan 0.000 0.452 116 L N 1.036 122.148 121.223 -0.185 0.000 2.017 116 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 116 L C 2.162 178.881 176.870 -0.251 0.000 1.073 116 L CA 1.536 56.233 54.840 -0.237 0.000 0.745 116 L CB -0.569 41.274 42.059 -0.359 0.000 0.894 116 L HN 0.231 nan 8.230 nan 0.000 0.432 117 L N -0.582 120.431 121.223 -0.350 0.000 2.042 117 L HA -0.261 4.076 4.340 -0.005 0.000 0.210 117 L C 2.265 179.038 176.870 -0.162 0.000 1.076 117 L CA 1.564 56.234 54.840 -0.283 0.000 0.749 117 L CB -0.831 41.026 42.059 -0.337 0.000 0.893 117 L HN 0.307 nan 8.230 nan 0.000 0.432 118 D N -0.859 119.461 120.400 -0.133 0.000 2.144 118 D HA -0.132 4.505 4.640 -0.005 0.000 0.200 118 D C 2.183 178.451 176.300 -0.055 0.000 0.978 118 D CA 1.483 55.434 54.000 -0.082 0.000 0.833 118 D CB -0.134 40.629 40.800 -0.061 0.000 0.961 118 D HN 0.268 nan 8.370 nan 0.000 0.470 119 T N 0.914 115.432 114.554 -0.060 0.000 2.777 119 T HA -0.033 4.313 4.350 -0.005 0.000 0.266 119 T C 2.224 176.903 174.700 -0.034 0.000 1.040 119 T CA 0.510 62.593 62.100 -0.028 0.000 1.141 119 T CB -0.186 68.672 68.868 -0.017 0.000 0.868 119 T HN 0.119 nan 8.240 nan 0.000 0.444 120 L N 1.558 122.741 121.223 -0.066 0.000 2.056 120 L HA -0.102 4.234 4.340 -0.005 0.000 0.207 120 L C 2.929 179.786 176.870 -0.023 0.000 1.078 120 L CA 1.454 56.249 54.840 -0.074 0.000 0.749 120 L CB -0.759 41.260 42.059 -0.067 0.000 0.901 120 L HN 0.375 nan 8.230 nan 0.000 0.433 121 S N -0.020 115.673 115.700 -0.011 0.000 2.406 121 S HA -0.083 4.384 4.470 -0.005 0.000 0.228 121 S C 2.183 176.843 174.600 0.100 0.000 1.020 121 S CA 0.667 58.900 58.200 0.055 0.000 0.965 121 S CB -0.404 62.758 63.200 -0.064 0.000 0.798 121 S HN 0.341 nan 8.310 nan 0.000 0.488 122 A N 2.263 125.113 122.820 0.051 0.000 1.902 122 A HA 0.034 4.351 4.320 -0.005 0.000 0.217 122 A C 2.356 179.986 177.584 0.076 0.000 1.181 122 A CA 1.730 53.806 52.037 0.064 0.000 0.623 122 A CB -0.738 18.287 19.000 0.042 0.000 0.818 122 A HN 0.569 nan 8.150 nan 0.000 0.443 123 M N -1.545 118.088 119.600 0.055 0.000 2.123 123 M HA -0.103 4.374 4.480 -0.005 0.000 0.263 123 M C 2.249 178.593 176.300 0.074 0.000 1.069 123 M CA 1.851 57.186 55.300 0.058 0.000 1.133 123 M CB -0.374 32.236 32.600 0.017 0.000 1.356 123 M HN 0.635 nan 8.290 nan 0.000 0.415 124 E N 0.630 120.862 120.200 0.054 0.000 2.072 124 E HA -0.180 4.167 4.350 -0.005 0.000 0.191 124 E C 1.980 178.695 176.600 0.192 0.000 0.985 124 E CA 1.887 58.337 56.400 0.083 0.000 0.801 124 E CB 0.103 29.848 29.700 0.075 0.000 0.750 124 E HN 0.485 nan 8.360 nan 0.000 0.452 125 S N 0.463 116.275 115.700 0.188 0.000 2.383 125 S HA -0.193 4.274 4.470 -0.005 0.000 0.227 125 S C 1.945 176.627 174.600 0.137 0.000 1.026 125 S CA 1.126 59.424 58.200 0.162 0.000 0.981 125 S CB -0.586 62.734 63.200 0.200 0.000 0.818 125 S HN 0.354 nan 8.310 nan 0.000 0.472 126 N N 0.926 119.704 118.700 0.131 0.000 2.043 126 N HA -0.189 4.548 4.740 -0.005 0.000 0.193 126 N C 1.654 177.228 175.510 0.106 0.000 1.037 126 N CA 1.728 54.835 53.050 0.095 0.000 0.851 126 N CB -0.494 38.041 38.487 0.079 0.000 1.027 126 N HN 0.491 nan 8.380 nan 0.000 0.422 127 F N 1.715 121.679 119.950 0.024 0.000 2.065 127 F HA -0.165 4.359 4.527 -0.005 0.000 0.298 127 F C 2.450 178.324 175.800 0.122 0.000 1.112 127 F CA 2.048 60.081 58.000 0.057 0.000 1.212 127 F CB -0.538 38.514 39.000 0.087 0.000 0.975 127 F HN 0.142 nan 8.300 nan 0.000 0.476 128 A N -0.568 122.459 122.820 0.346 0.000 2.067 128 A HA -0.138 4.179 4.320 -0.005 0.000 0.219 128 A C 2.015 179.648 177.584 0.082 0.000 1.158 128 A CA 1.444 53.622 52.037 0.234 0.000 0.661 128 A CB -0.542 18.579 19.000 0.203 0.000 0.801 128 A HN 0.491 nan 8.150 nan 0.000 0.452 129 K N -0.418 120.013 120.400 0.052 0.000 2.374 129 K HA 0.226 4.543 4.320 -0.005 0.000 0.196 129 K C -0.330 176.271 176.600 0.002 0.000 1.023 129 K CA -0.237 56.065 56.287 0.024 0.000 1.103 129 K CB 0.528 33.046 32.500 0.030 0.000 0.848 129 K HN 0.228 nan 8.250 nan 0.000 0.528 130 V N 3.357 123.250 119.914 -0.035 0.000 2.557 130 V HA -0.070 4.047 4.120 -0.005 0.000 0.301 130 V C 0.209 176.314 176.094 0.017 0.000 1.026 130 V CA 0.668 62.940 62.300 -0.047 0.000 1.137 130 V CB 0.189 31.925 31.823 -0.145 0.000 0.917 130 V HN 0.126 nan 8.190 nan 0.000 0.484 131 K N 4.179 124.596 120.400 0.029 0.000 2.427 131 K HA 0.691 5.008 4.320 -0.005 0.000 0.252 131 K C -0.746 175.900 176.600 0.076 0.000 0.931 131 K CA -0.531 55.791 56.287 0.058 0.000 0.793 131 K CB 2.396 34.925 32.500 0.048 0.000 1.211 131 K HN 0.533 nan 8.250 nan 0.000 0.426 132 V N -1.747 118.239 119.914 0.121 0.000 3.046 132 V HA 0.605 4.722 4.120 -0.005 0.000 0.316 132 V C -0.062 176.147 176.094 0.191 0.000 1.104 132 V CA -0.906 61.483 62.300 0.148 0.000 1.006 132 V CB 1.767 33.704 31.823 0.190 0.000 1.058 132 V HN 0.791 nan 8.190 nan 0.000 0.440 133 c N 2.369 121.095 118.600 0.209 0.000 2.463 133 c HA 0.372 4.939 4.570 -0.005 0.000 0.380 133 c C 0.454 174.737 174.090 0.322 0.000 1.264 133 c CA -0.167 56.296 56.329 0.222 0.000 2.161 133 c CB -0.045 42.572 42.510 0.178 0.000 2.515 133 c HN 1.020 nan 8.230 nan 0.000 0.565 134 D N 0.533 121.082 120.400 0.248 0.000 2.493 134 D HA -0.104 4.532 4.640 -0.005 0.000 0.240 134 D C 0.620 176.987 176.300 0.113 0.000 1.142 134 D CA 0.317 54.480 54.000 0.272 0.000 0.872 134 D CB 0.332 41.233 40.800 0.168 0.000 1.173 134 D HN 0.691 nan 8.370 nan 0.000 0.467 135 Y N 4.386 124.621 120.300 -0.109 0.000 2.207 135 Y HA -0.180 4.367 4.550 -0.005 0.000 0.287 135 Y C 1.589 177.274 175.900 -0.358 0.000 1.156 135 Y CA 1.734 59.455 58.100 -0.632 0.000 1.182 135 Y CB 0.253 38.413 38.460 -0.499 0.000 0.979 135 Y HN 0.391 nan 8.280 nan 0.000 0.521 136 K N -0.854 119.427 120.400 -0.200 0.000 2.358 136 K HA 0.081 4.397 4.320 -0.005 0.000 0.200 136 K C -0.458 176.058 176.600 -0.140 0.000 1.030 136 K CA 0.398 56.541 56.287 -0.240 0.000 1.097 136 K CB 0.669 33.110 32.500 -0.100 0.000 0.862 136 K HN -0.010 nan 8.250 nan 0.000 0.534 137 D N 0.184 120.534 120.400 -0.082 0.000 2.330 137 D HA 0.025 4.662 4.640 -0.005 0.000 0.249 137 D C 0.341 176.631 176.300 -0.018 0.000 1.306 137 D CA -0.112 53.865 54.000 -0.039 0.000 0.956 137 D CB 1.013 41.814 40.800 0.002 0.000 1.261 137 D HN 0.011 nan 8.370 nan 0.000 0.544 138 S N 0.691 116.367 115.700 -0.040 0.000 2.547 138 S HA -0.097 4.370 4.470 -0.005 0.000 0.235 138 S C 1.418 176.028 174.600 0.017 0.000 0.980 138 S CA 0.814 59.008 58.200 -0.009 0.000 0.941 138 S CB 0.017 63.201 63.200 -0.026 0.000 0.763 138 S HN 0.334 nan 8.310 nan 0.000 0.532 139 T N 0.988 115.549 114.554 0.013 0.000 3.031 139 T HA 0.165 4.512 4.350 -0.005 0.000 0.254 139 T C 0.716 175.436 174.700 0.033 0.000 1.060 139 T CA 0.360 62.472 62.100 0.020 0.000 1.135 139 T CB -0.050 68.824 68.868 0.011 0.000 0.896 139 T HN 0.386 nan 8.240 nan 0.000 0.472 140 K N 1.738 122.163 120.400 0.042 0.000 2.250 140 K HA 0.246 4.562 4.320 -0.005 0.000 0.285 140 K C -0.884 175.764 176.600 0.080 0.000 1.097 140 K CA -0.257 56.063 56.287 0.056 0.000 0.913 140 K CB -0.084 32.450 32.500 0.057 0.000 1.179 140 K HN 0.190 nan 8.250 nan 0.000 0.462 141 c N 3.791 122.435 118.600 0.073 0.000 2.660 141 c HA 0.159 4.726 4.570 -0.005 0.000 0.265 141 c C 0.157 174.293 174.090 0.077 0.000 1.573 141 c CA -0.759 55.621 56.329 0.086 0.000 1.751 141 c CB -0.873 41.680 42.510 0.072 0.000 3.033 141 c HN 0.805 nan 8.230 nan 0.000 0.511 142 D N -0.620 119.826 120.400 0.075 0.000 2.538 142 D HA 0.154 4.791 4.640 -0.005 0.000 0.231 142 D C -0.159 176.180 176.300 0.065 0.000 1.229 142 D CA -0.235 53.802 54.000 0.060 0.000 0.828 142 D CB -0.026 40.801 40.800 0.045 0.000 1.035 142 D HN 0.192 nan 8.370 nan 0.000 0.495 143 L N 1.520 122.798 121.223 0.092 0.000 2.315 143 L HA 0.526 4.863 4.340 -0.005 0.000 0.283 143 L C 0.646 177.558 176.870 0.070 0.000 1.089 143 L CA -0.234 54.658 54.840 0.087 0.000 0.833 143 L CB 1.159 43.304 42.059 0.143 0.000 1.170 143 L HN 0.131 nan 8.230 nan 0.000 0.442 144 A N 2.662 125.504 122.820 0.036 0.000 2.269 144 A HA 0.471 4.788 4.320 -0.005 0.000 0.319 144 A C 0.942 178.517 177.584 -0.015 0.000 1.110 144 A CA -0.550 51.503 52.037 0.026 0.000 0.847 144 A CB 0.568 19.581 19.000 0.022 0.000 1.161 144 A HN 0.713 nan 8.150 nan 0.000 0.497 145 L N 0.055 121.259 121.223 -0.032 0.000 1.990 145 L HA -0.077 4.259 4.340 -0.005 0.000 0.213 145 L C 0.457 177.277 176.870 -0.084 0.000 1.072 145 L CA 2.297 57.049 54.840 -0.146 0.000 0.755 145 L CB -0.204 41.738 42.059 -0.195 0.000 0.889 145 L HN 0.727 nan 8.230 nan 0.000 0.432 146 D N -1.096 119.297 120.400 -0.012 0.000 2.392 146 D HA 0.280 4.917 4.640 -0.005 0.000 0.228 146 D C -2.018 174.284 176.300 0.004 0.000 1.074 146 D CA -2.214 51.789 54.000 0.006 0.000 0.838 146 D CB 1.598 42.423 40.800 0.042 0.000 1.067 146 D HN 0.141 nan 8.370 nan 0.000 0.511 147 P HA 0.172 nan 4.420 nan 0.000 0.272 147 P C 0.674 177.942 177.300 -0.053 0.000 1.276 147 P CA 0.111 63.199 63.100 -0.021 0.000 0.871 147 P CB 1.156 32.852 31.700 -0.008 0.000 1.313 148 E N 0.772 120.939 120.200 -0.055 0.000 2.017 148 E HA -0.115 4.232 4.350 -0.005 0.000 0.193 148 E C 2.001 178.495 176.600 -0.177 0.000 0.997 148 E CA 1.414 57.765 56.400 -0.082 0.000 0.804 148 E CB -0.925 28.751 29.700 -0.040 0.000 0.757 148 E HN 0.238 nan 8.360 nan 0.000 0.448 149 I N 0.746 121.193 120.570 -0.205 0.000 2.286 149 I HA -0.205 3.961 4.170 -0.005 0.000 0.245 149 I C 2.152 178.084 176.117 -0.308 0.000 1.104 149 I CA 1.074 62.171 61.300 -0.337 0.000 1.397 149 I CB -0.290 37.541 38.000 -0.282 0.000 1.072 149 I HN 0.093 nan 8.210 nan 0.000 0.417 150 E N 0.628 120.691 120.200 -0.229 0.000 2.153 150 E HA -0.270 4.077 4.350 -0.005 0.000 0.194 150 E C 2.039 178.564 176.600 -0.124 0.000 0.988 150 E CA 1.035 57.332 56.400 -0.171 0.000 0.811 150 E CB -0.070 29.573 29.700 -0.095 0.000 0.746 150 E HN 0.487 nan 8.360 nan 0.000 0.466 151 E N 0.499 120.627 120.200 -0.119 0.000 2.051 151 E HA -0.174 4.173 4.350 -0.005 0.000 0.192 151 E C 2.122 178.658 176.600 -0.105 0.000 0.991 151 E CA 1.109 57.455 56.400 -0.089 0.000 0.799 151 E CB 0.221 29.877 29.700 -0.074 0.000 0.748 151 E HN 0.042 nan 8.360 nan 0.000 0.449 152 V N 1.706 121.511 119.914 -0.181 0.000 2.295 152 V HA -0.267 3.849 4.120 -0.005 0.000 0.246 152 V C 2.433 178.460 176.094 -0.112 0.000 1.049 152 V CA 1.293 63.483 62.300 -0.184 0.000 1.024 152 V CB -0.416 31.156 31.823 -0.418 0.000 0.648 152 V HN 0.377 nan 8.190 nan 0.000 0.447 153 I N 1.447 121.937 120.570 -0.134 0.000 2.264 153 I HA -0.198 3.969 4.170 -0.005 0.000 0.248 153 I C 2.585 178.680 176.117 -0.037 0.000 1.111 153 I CA 2.300 63.559 61.300 -0.069 0.000 1.382 153 I CB -1.359 36.576 38.000 -0.109 0.000 1.060 153 I HN 0.557 nan 8.210 nan 0.000 0.418 154 S N -0.214 115.462 115.700 -0.041 0.000 2.470 154 S HA -0.007 4.460 4.470 -0.005 0.000 0.225 154 S C 1.839 176.437 174.600 -0.003 0.000 1.006 154 S CA 0.287 58.481 58.200 -0.009 0.000 0.934 154 S CB 0.087 63.286 63.200 -0.003 0.000 0.778 154 S HN 0.428 nan 8.310 nan 0.000 0.517 155 K N 0.929 121.322 120.400 -0.011 0.000 2.306 155 K HA 0.277 4.594 4.320 -0.005 0.000 0.200 155 K C 0.796 177.406 176.600 0.015 0.000 1.083 155 K CA 0.217 56.504 56.287 -0.000 0.000 0.959 155 K CB 0.181 32.677 32.500 -0.006 0.000 0.994 155 K HN 0.255 nan 8.250 nan 0.000 0.492 156 S N 1.163 116.875 115.700 0.019 0.000 2.549 156 S HA 0.055 4.522 4.470 -0.005 0.000 0.286 156 S C 0.517 175.168 174.600 0.083 0.000 1.314 156 S CA -0.204 58.026 58.200 0.050 0.000 1.062 156 S CB 0.421 63.653 63.200 0.053 0.000 0.865 156 S HN 0.129 nan 8.310 nan 0.000 0.498 157 R N 2.719 123.291 120.500 0.120 0.000 2.652 157 R HA 0.243 4.579 4.340 -0.005 0.000 0.372 157 R C -0.653 175.830 176.300 0.306 0.000 1.104 157 R CA -0.292 55.941 56.100 0.221 0.000 1.072 157 R CB -0.390 30.011 30.300 0.168 0.000 1.367 157 R HN 0.591 nan 8.270 nan 0.000 0.577 158 D N 1.046 121.563 120.400 0.194 0.000 2.428 158 D HA 0.009 4.646 4.640 -0.005 0.000 0.221 158 D C 1.163 177.505 176.300 0.071 0.000 1.123 158 D CA -0.317 53.759 54.000 0.127 0.000 0.869 158 D CB 0.650 41.481 40.800 0.052 0.000 1.032 158 D HN 0.362 nan 8.370 nan 0.000 0.506 159 H N 2.094 121.241 119.070 0.129 0.000 2.421 159 H HA -0.027 4.526 4.556 -0.006 0.000 0.298 159 H C 1.120 176.486 175.328 0.064 0.000 1.087 159 H CA 1.250 57.289 56.048 -0.016 0.000 1.330 159 H CB 0.186 29.853 29.762 -0.159 0.000 1.388 159 H HN 0.389 nan 8.280 nan 0.000 0.526 160 E N 0.538 120.498 120.200 -0.401 0.000 2.107 160 E HA -0.164 4.183 4.350 -0.005 0.000 0.191 160 E C 2.097 178.540 176.600 -0.261 0.000 0.982 160 E CA 0.870 57.139 56.400 -0.218 0.000 0.809 160 E CB 0.019 29.599 29.700 -0.201 0.000 0.756 160 E HN 0.746 nan 8.360 nan 0.000 0.459 161 E N 1.251 121.206 120.200 -0.408 0.000 2.051 161 E HA -0.192 4.155 4.350 -0.005 0.000 0.192 161 E C 2.203 178.694 176.600 -0.182 0.000 0.991 161 E CA 0.733 56.676 56.400 -0.761 0.000 0.799 161 E CB -0.010 29.441 29.700 -0.414 0.000 0.748 161 E HN 0.158 nan 8.360 nan 0.000 0.449 162 L N 0.479 121.718 121.223 0.027 0.000 2.042 162 L HA -0.194 4.143 4.340 -0.005 0.000 0.210 162 L C 2.700 179.711 176.870 0.235 0.000 1.076 162 L CA 1.269 56.223 54.840 0.190 0.000 0.749 162 L CB -0.491 41.666 42.059 0.164 0.000 0.893 162 L HN 0.234 nan 8.230 nan 0.000 0.432 163 A N -0.917 121.991 122.820 0.147 0.000 1.930 163 A HA -0.271 4.046 4.320 -0.005 0.000 0.217 163 A C 2.186 179.789 177.584 0.031 0.000 1.175 163 A CA 1.465 53.451 52.037 -0.085 0.000 0.627 163 A CB -0.831 18.016 19.000 -0.256 0.000 0.815 163 A HN 0.505 nan 8.150 nan 0.000 0.443 164 Y N -0.824 119.406 120.300 -0.117 0.000 2.114 164 Y HA -0.279 4.268 4.550 -0.005 0.000 0.284 164 Y C 2.134 177.986 175.900 -0.079 0.000 1.143 164 Y CA 2.111 60.123 58.100 -0.146 0.000 1.135 164 Y CB -0.566 37.693 38.460 -0.335 0.000 0.980 164 Y HN 0.343 nan 8.280 nan 0.000 0.499 165 Y N -1.542 118.753 120.300 -0.008 0.000 2.242 165 Y HA -0.219 4.328 4.550 -0.005 0.000 0.291 165 Y C 2.350 178.274 175.900 0.040 0.000 1.137 165 Y CA 1.523 59.592 58.100 -0.051 0.000 1.181 165 Y CB -1.164 37.328 38.460 0.054 0.000 0.989 165 Y HN 0.390 nan 8.280 nan 0.000 0.527 166 W N 1.048 122.399 121.300 0.083 0.000 2.333 166 W HA -0.250 4.407 4.660 -0.005 0.000 0.316 166 W C 2.803 179.391 176.519 0.115 0.000 1.215 166 W CA 2.438 59.844 57.345 0.102 0.000 1.278 166 W CB -0.311 29.116 29.460 -0.055 0.000 1.154 166 W HN -0.136 nan 8.180 nan 0.000 0.486 167 R N 0.285 121.035 120.500 0.416 0.000 2.073 167 R HA -0.197 4.140 4.340 -0.005 0.000 0.234 167 R C 2.134 178.452 176.300 0.029 0.000 1.134 167 R CA 1.908 58.166 56.100 0.263 0.000 0.952 167 R CB -0.522 29.866 30.300 0.146 0.000 0.850 167 R HN 0.125 nan 8.270 nan 0.000 0.433 168 E N 0.048 120.174 120.200 -0.124 0.000 2.058 168 E HA -0.223 4.124 4.350 -0.005 0.000 0.194 168 E C 1.713 178.289 176.600 -0.040 0.000 0.997 168 E CA 1.193 57.499 56.400 -0.157 0.000 0.801 168 E CB -0.475 29.011 29.700 -0.357 0.000 0.746 168 E HN 0.319 nan 8.360 nan 0.000 0.450 169 F N 0.429 120.308 119.950 -0.118 0.000 2.113 169 F HA -0.219 4.305 4.527 -0.006 0.000 0.297 169 F C 2.174 177.850 175.800 -0.207 0.000 1.103 169 F CA 1.254 59.159 58.000 -0.158 0.000 1.248 169 F CB -0.467 38.418 39.000 -0.192 0.000 0.999 169 F HN -0.034 nan 8.300 nan 0.000 0.475 170 Y N 0.890 120.942 120.300 -0.413 0.000 2.224 170 Y HA -0.229 4.318 4.550 -0.005 0.000 0.289 170 Y C 2.376 178.084 175.900 -0.320 0.000 1.146 170 Y CA 1.775 59.583 58.100 -0.487 0.000 1.182 170 Y CB -0.868 37.144 38.460 -0.748 0.000 0.983 170 Y HN 0.074 nan 8.280 nan 0.000 0.524 171 D N -0.177 120.181 120.400 -0.069 0.000 2.144 171 D HA -0.143 4.494 4.640 -0.005 0.000 0.199 171 D C 1.857 178.094 176.300 -0.104 0.000 0.984 171 D CA 1.492 55.467 54.000 -0.043 0.000 0.834 171 D CB -0.147 40.646 40.800 -0.012 0.000 0.955 171 D HN 0.351 nan 8.370 nan 0.000 0.465 172 K N -0.001 120.279 120.400 -0.199 0.000 2.166 172 K HA 0.198 4.515 4.320 -0.005 0.000 0.201 172 K C 1.958 178.382 176.600 -0.294 0.000 1.052 172 K CA 0.781 56.944 56.287 -0.206 0.000 0.969 172 K CB 0.246 32.634 32.500 -0.186 0.000 0.761 172 K HN -0.008 nan 8.250 nan 0.000 0.459 173 A N 0.777 123.263 122.820 -0.556 0.000 2.030 173 A HA 0.142 4.458 4.320 -0.005 0.000 0.215 173 A C 2.035 179.445 177.584 -0.290 0.000 1.164 173 A CA 1.199 52.907 52.037 -0.549 0.000 0.697 173 A CB -0.307 17.986 19.000 -1.177 0.000 0.827 173 A HN 0.349 nan 8.150 nan 0.000 0.457 174 G N -1.099 107.522 108.800 -0.298 0.000 2.724 174 G HA2 0.093 4.050 3.960 -0.005 0.000 0.217 174 G HA3 0.093 4.050 3.960 -0.005 0.000 0.217 174 G C 1.451 176.350 174.900 -0.003 0.000 1.251 174 G CA 1.202 46.189 45.100 -0.187 0.000 0.867 174 G HN 0.302 nan 8.290 nan 0.000 0.590 175 T N 2.244 116.819 114.554 0.035 0.000 2.788 175 T HA -0.025 4.322 4.350 -0.005 0.000 0.268 175 T C 2.663 177.426 174.700 0.105 0.000 1.044 175 T CA 1.504 63.684 62.100 0.134 0.000 1.139 175 T CB -0.394 68.541 68.868 0.111 0.000 0.867 175 T HN 0.353 nan 8.240 nan 0.000 0.454 176 A N 0.417 123.262 122.820 0.043 0.000 2.131 176 A HA 0.024 4.341 4.320 -0.005 0.000 0.220 176 A C 2.129 179.751 177.584 0.063 0.000 1.158 176 A CA 0.987 53.045 52.037 0.036 0.000 0.665 176 A CB -0.417 18.584 19.000 0.001 0.000 0.795 176 A HN 0.395 nan 8.150 nan 0.000 0.460 177 V N -1.070 118.906 119.914 0.104 0.000 3.276 177 V HA 0.093 4.209 4.120 -0.005 0.000 0.319 177 V C 1.898 178.116 176.094 0.207 0.000 1.427 177 V CA 0.261 62.645 62.300 0.140 0.000 1.102 177 V CB -0.356 31.548 31.823 0.134 0.000 1.020 177 V HN 0.658 nan 8.190 nan 0.000 0.456 178 R N 1.298 121.892 120.500 0.156 0.000 2.096 178 R HA -0.194 4.143 4.340 -0.005 0.000 0.240 178 R C 2.456 178.754 176.300 -0.004 0.000 1.139 178 R CA 2.358 58.441 56.100 -0.029 0.000 0.952 178 R CB -0.210 29.983 30.300 -0.178 0.000 0.854 178 R HN 0.657 nan 8.270 nan 0.000 0.436 179 S N -0.069 115.641 115.700 0.017 0.000 2.383 179 S HA -0.163 4.304 4.470 -0.005 0.000 0.227 179 S C 1.880 176.524 174.600 0.074 0.000 1.026 179 S CA 1.054 59.263 58.200 0.015 0.000 0.981 179 S CB -0.189 63.012 63.200 0.001 0.000 0.818 179 S HN 0.381 nan 8.310 nan 0.000 0.472 180 Q N 0.394 120.262 119.800 0.113 0.000 2.079 180 Q HA 0.151 4.488 4.340 -0.005 0.000 0.200 180 Q C 1.790 177.920 176.000 0.218 0.000 0.974 180 Q CA 1.480 57.361 55.803 0.131 0.000 0.840 180 Q CB -0.607 28.201 28.738 0.115 0.000 0.898 180 Q HN 0.658 nan 8.270 nan 0.000 0.430 181 F N 1.402 121.455 119.950 0.172 0.000 2.171 181 F HA -0.167 4.357 4.527 -0.006 0.000 0.300 181 F C 1.776 177.814 175.800 0.397 0.000 1.090 181 F CA 1.363 59.561 58.000 0.329 0.000 1.293 181 F CB 0.133 39.392 39.000 0.433 0.000 1.013 181 F HN 0.082 nan 8.300 nan 0.000 0.486 182 E N -0.417 120.009 120.200 0.376 0.000 2.077 182 E HA -0.276 4.071 4.350 -0.005 0.000 0.193 182 E C 2.205 178.880 176.600 0.124 0.000 0.989 182 E CA 1.195 57.758 56.400 0.271 0.000 0.800 182 E CB -0.203 29.508 29.700 0.018 0.000 0.746 182 E HN 0.143 nan 8.360 nan 0.000 0.452 183 R N 0.463 121.009 120.500 0.077 0.000 2.092 183 R HA -0.170 4.167 4.340 -0.005 0.000 0.231 183 R C 2.130 178.430 176.300 -0.001 0.000 1.119 183 R CA 1.267 57.380 56.100 0.023 0.000 0.970 183 R CB -0.751 29.558 30.300 0.017 0.000 0.864 183 R HN 0.298 nan 8.270 nan 0.000 0.440 184 Y N -0.089 120.140 120.300 -0.119 0.000 2.128 184 Y HA -0.194 4.353 4.550 -0.006 0.000 0.284 184 Y C 1.787 177.565 175.900 -0.204 0.000 1.154 184 Y CA 1.943 59.921 58.100 -0.203 0.000 1.149 184 Y CB -0.657 37.647 38.460 -0.261 0.000 0.976 184 Y HN -0.109 nan 8.280 nan 0.000 0.505 185 V N 1.164 120.772 119.914 -0.511 0.000 2.287 185 V HA -0.331 3.786 4.120 -0.005 0.000 0.248 185 V C 2.317 178.266 176.094 -0.241 0.000 1.053 185 V CA 2.382 64.432 62.300 -0.416 0.000 1.027 185 V CB -0.749 31.045 31.823 -0.049 0.000 0.646 185 V HN 0.471 nan 8.190 nan 0.000 0.447 186 E N -0.138 119.993 120.200 -0.115 0.000 2.058 186 E HA -0.226 4.121 4.350 -0.005 0.000 0.194 186 E C 2.183 178.695 176.600 -0.147 0.000 0.997 186 E CA 1.532 57.879 56.400 -0.088 0.000 0.801 186 E CB -0.209 29.463 29.700 -0.047 0.000 0.746 186 E HN 0.508 nan 8.360 nan 0.000 0.450 187 L N 1.093 122.202 121.223 -0.191 0.000 2.179 187 L HA -0.108 4.229 4.340 -0.005 0.000 0.208 187 L C 2.444 179.142 176.870 -0.287 0.000 1.096 187 L CA 0.428 55.146 54.840 -0.204 0.000 0.779 187 L CB -0.427 41.514 42.059 -0.196 0.000 0.922 187 L HN 0.217 nan 8.230 nan 0.000 0.443 188 N N 0.100 118.539 118.700 -0.435 0.000 2.120 188 N HA -0.172 4.564 4.740 -0.005 0.000 0.188 188 N C 1.605 176.875 175.510 -0.400 0.000 1.024 188 N CA 2.075 54.832 53.050 -0.487 0.000 0.852 188 N CB 0.061 38.026 38.487 -0.870 0.000 1.003 188 N HN 0.216 nan 8.380 nan 0.000 0.424 189 T N 1.053 115.391 114.554 -0.360 0.000 2.737 189 T HA -0.107 4.239 4.350 -0.005 0.000 0.265 189 T C 1.896 176.517 174.700 -0.132 0.000 1.038 189 T CA 1.162 63.121 62.100 -0.235 0.000 1.144 189 T CB -0.120 68.662 68.868 -0.143 0.000 0.866 189 T HN 0.352 nan 8.240 nan 0.000 0.434 190 K N 1.111 121.445 120.400 -0.110 0.000 2.063 190 K HA -0.081 4.236 4.320 -0.005 0.000 0.208 190 K C 2.500 179.082 176.600 -0.029 0.000 1.048 190 K CA 1.298 57.549 56.287 -0.060 0.000 0.928 190 K CB -0.342 32.125 32.500 -0.055 0.000 0.713 190 K HN 0.278 nan 8.250 nan 0.000 0.442 191 A N 1.044 123.850 122.820 -0.023 0.000 1.877 191 A HA -0.127 4.189 4.320 -0.005 0.000 0.216 191 A C 2.351 179.976 177.584 0.067 0.000 1.186 191 A CA 1.967 54.042 52.037 0.063 0.000 0.620 191 A CB -0.927 18.188 19.000 0.191 0.000 0.822 191 A HN 0.499 nan 8.150 nan 0.000 0.443 192 A N -0.166 122.662 122.820 0.014 0.000 1.908 192 A HA -0.199 4.117 4.320 -0.005 0.000 0.218 192 A C 2.114 179.760 177.584 0.103 0.000 1.181 192 A CA 1.926 54.000 52.037 0.060 0.000 0.627 192 A CB -0.455 18.499 19.000 -0.077 0.000 0.818 192 A HN 0.564 nan 8.150 nan 0.000 0.445 193 K N -0.584 119.833 120.400 0.028 0.000 2.155 193 K HA 0.088 4.405 4.320 -0.005 0.000 0.203 193 K C 1.703 178.302 176.600 -0.001 0.000 1.052 193 K CA 0.910 57.204 56.287 0.011 0.000 0.948 193 K CB -0.275 32.221 32.500 -0.008 0.000 0.728 193 K HN 0.438 nan 8.250 nan 0.000 0.448 194 L N 1.250 122.479 121.223 0.009 0.000 2.275 194 L HA -0.126 4.210 4.340 -0.005 0.000 0.215 194 L C 1.425 178.292 176.870 -0.006 0.000 1.119 194 L CA 0.762 55.603 54.840 0.002 0.000 0.790 194 L CB -0.161 41.907 42.059 0.014 0.000 0.919 194 L HN 0.231 nan 8.230 nan 0.000 0.443 195 N N 0.144 118.854 118.700 0.016 0.000 2.336 195 N HA -0.031 4.706 4.740 -0.005 0.000 0.189 195 N C -0.013 175.354 175.510 -0.238 0.000 1.113 195 N CA 0.126 53.153 53.050 -0.037 0.000 0.858 195 N CB 0.229 38.795 38.487 0.131 0.000 0.970 195 N HN 0.213 nan 8.380 nan 0.000 0.471 196 N N 0.033 118.640 118.700 -0.155 0.000 2.782 196 N HA -0.182 4.554 4.740 -0.005 0.000 0.251 196 N C -0.899 174.447 175.510 -0.273 0.000 1.101 196 N CA 0.712 53.645 53.050 -0.196 0.000 0.764 196 N CB -1.755 36.610 38.487 -0.204 0.000 1.122 196 N HN 0.193 nan 8.380 nan 0.000 0.561 197 F N 0.162 120.092 119.950 -0.034 0.000 2.371 197 F HA 0.246 4.770 4.527 -0.006 0.000 0.329 197 F C 2.337 178.105 175.800 -0.054 0.000 1.107 197 F CA -0.295 57.678 58.000 -0.045 0.000 1.137 197 F CB 0.586 39.549 39.000 -0.061 0.000 1.214 197 F HN -0.184 nan 8.300 nan 0.000 0.536 198 T N -0.074 114.572 114.554 0.154 0.000 2.720 198 T HA -0.074 4.273 4.350 -0.005 0.000 0.268 198 T C 0.580 175.297 174.700 0.028 0.000 1.037 198 T CA 1.669 63.806 62.100 0.061 0.000 1.144 198 T CB -0.221 68.671 68.868 0.041 0.000 0.864 198 T HN 0.652 nan 8.240 nan 0.000 0.444 199 S N -1.500 114.204 115.700 0.006 0.000 2.661 199 S HA 0.560 5.027 4.470 -0.005 0.000 0.268 199 S C 1.172 175.634 174.600 -0.230 0.000 1.162 199 S CA -0.219 57.927 58.200 -0.090 0.000 0.817 199 S CB 1.058 64.233 63.200 -0.042 0.000 1.141 199 S HN 0.115 nan 8.310 nan 0.000 0.477 200 G N 0.418 108.921 108.800 -0.495 0.000 2.470 200 G HA2 0.154 4.111 3.960 -0.005 0.000 0.220 200 G HA3 0.154 4.111 3.960 -0.005 0.000 0.220 200 G C 1.411 175.939 174.900 -0.620 0.000 1.121 200 G CA 1.061 45.631 45.100 -0.883 0.000 0.766 200 G HN 1.271 nan 8.290 nan 0.000 0.553 201 A N 1.137 123.861 122.820 -0.160 0.000 1.858 201 A HA -0.020 4.297 4.320 -0.005 0.000 0.216 201 A C 2.209 179.656 177.584 -0.228 0.000 1.190 201 A CA 2.073 54.061 52.037 -0.082 0.000 0.617 201 A CB -0.355 18.524 19.000 -0.201 0.000 0.827 201 A HN 0.328 nan 8.150 nan 0.000 0.443 202 E N 0.066 120.122 120.200 -0.241 0.000 2.106 202 E HA 0.031 4.378 4.350 -0.005 0.000 0.192 202 E C 2.178 178.434 176.600 -0.573 0.000 0.984 202 E CA 1.169 57.428 56.400 -0.234 0.000 0.806 202 E CB -0.476 29.210 29.700 -0.023 0.000 0.750 202 E HN 0.576 nan 8.360 nan 0.000 0.458 203 A N 0.422 122.759 122.820 -0.805 0.000 1.908 203 A HA -0.189 4.128 4.320 -0.005 0.000 0.218 203 A C 1.719 179.046 177.584 -0.428 0.000 1.181 203 A CA 1.332 52.692 52.037 -1.129 0.000 0.627 203 A CB -0.893 17.695 19.000 -0.688 0.000 0.818 203 A HN 0.312 nan 8.150 nan 0.000 0.445 204 W N -0.104 121.033 121.300 -0.271 0.000 2.379 204 W HA -0.021 4.636 4.660 -0.005 0.000 0.307 204 W C 2.107 178.609 176.519 -0.028 0.000 1.200 204 W CA 0.773 58.079 57.345 -0.065 0.000 1.297 204 W CB -1.288 28.292 29.460 0.200 0.000 1.140 204 W HN 0.264 nan 8.180 nan 0.000 0.507 205 L N -0.009 121.349 121.223 0.225 0.000 2.191 205 L HA -0.221 4.116 4.340 -0.005 0.000 0.212 205 L C 2.017 178.955 176.870 0.114 0.000 1.103 205 L CA 1.651 56.631 54.840 0.234 0.000 0.769 205 L CB -0.829 41.273 42.059 0.071 0.000 0.908 205 L HN -0.086 nan 8.230 nan 0.000 0.438 206 D N 0.043 120.415 120.400 -0.047 0.000 2.228 206 D HA -0.224 4.413 4.640 -0.005 0.000 0.203 206 D C 1.967 178.230 176.300 -0.063 0.000 0.988 206 D CA 0.939 54.926 54.000 -0.022 0.000 0.864 206 D CB 0.169 40.927 40.800 -0.070 0.000 0.928 206 D HN 0.190 nan 8.370 nan 0.000 0.469 207 E N -0.732 119.350 120.200 -0.197 0.000 2.333 207 E HA -0.171 4.175 4.350 -0.005 0.000 0.198 207 E C 1.068 177.347 176.600 -0.536 0.000 1.007 207 E CA 0.656 56.822 56.400 -0.391 0.000 0.845 207 E CB -0.247 29.116 29.700 -0.563 0.000 0.766 207 E HN 0.631 nan 8.360 nan 0.000 0.507 208 Y N 0.484 120.662 120.300 -0.202 0.000 2.457 208 Y HA 0.134 4.681 4.550 -0.005 0.000 0.263 208 Y C 0.288 176.194 175.900 0.011 0.000 1.164 208 Y CA -0.186 57.704 58.100 -0.350 0.000 1.274 208 Y CB 0.063 37.786 38.460 -1.228 0.000 1.097 208 Y HN -0.054 nan 8.280 nan 0.000 0.523 209 E N 1.456 121.727 120.200 0.117 0.000 2.238 209 E HA -0.266 4.081 4.350 -0.005 0.000 0.219 209 E C -0.884 175.816 176.600 0.167 0.000 1.275 209 E CA 0.853 57.328 56.400 0.126 0.000 0.714 209 E CB -1.047 28.702 29.700 0.081 0.000 1.154 209 E HN 0.302 nan 8.360 nan 0.000 0.363 210 D N 0.248 120.773 120.400 0.208 0.000 2.591 210 D HA 0.026 4.662 4.640 -0.005 0.000 0.222 210 D C 0.129 176.583 176.300 0.257 0.000 1.360 210 D CA -0.437 53.722 54.000 0.265 0.000 0.967 210 D CB 0.867 41.953 40.800 0.476 0.000 1.456 210 D HN 0.036 nan 8.370 nan 0.000 0.588 211 D N 1.273 121.784 120.400 0.185 0.000 2.371 211 D HA -0.108 4.529 4.640 -0.005 0.000 0.221 211 D C 1.154 177.550 176.300 0.160 0.000 0.986 211 D CA 0.652 54.745 54.000 0.154 0.000 0.899 211 D CB -0.222 40.644 40.800 0.110 0.000 0.902 211 D HN 0.328 nan 8.370 nan 0.000 0.530 212 T N -4.252 110.422 114.554 0.199 0.000 3.176 212 T HA 0.169 4.516 4.350 -0.005 0.000 0.263 212 T C 1.179 176.009 174.700 0.216 0.000 1.021 212 T CA -0.698 61.507 62.100 0.174 0.000 0.905 212 T CB -0.788 68.164 68.868 0.140 0.000 1.057 212 T HN -0.063 nan 8.240 nan 0.000 0.558 213 F N 2.720 122.738 119.950 0.113 0.000 2.126 213 F HA 0.017 4.541 4.527 -0.006 0.000 0.299 213 F C 2.136 177.975 175.800 0.064 0.000 1.096 213 F CA 1.492 59.550 58.000 0.097 0.000 1.255 213 F CB -0.125 38.931 39.000 0.094 0.000 0.997 213 F HN 0.241 nan 8.300 nan 0.000 0.479 214 E N -0.740 119.559 120.200 0.164 0.000 2.058 214 E HA -0.310 4.036 4.350 -0.005 0.000 0.194 214 E C 2.108 178.782 176.600 0.124 0.000 0.997 214 E CA 1.411 57.898 56.400 0.145 0.000 0.801 214 E CB -0.287 29.479 29.700 0.109 0.000 0.746 214 E HN 0.298 nan 8.360 nan 0.000 0.450 215 Q N 1.030 120.887 119.800 0.097 0.000 2.084 215 Q HA -0.194 4.143 4.340 -0.005 0.000 0.202 215 Q C 1.916 177.948 176.000 0.054 0.000 0.978 215 Q CA 1.649 57.507 55.803 0.092 0.000 0.844 215 Q CB -0.034 28.754 28.738 0.083 0.000 0.898 215 Q HN 0.293 nan 8.270 nan 0.000 0.426 216 Q N -0.531 119.262 119.800 -0.011 0.000 2.061 216 Q HA -0.161 4.175 4.340 -0.005 0.000 0.204 216 Q C 2.140 178.066 176.000 -0.123 0.000 0.984 216 Q CA 1.621 57.380 55.803 -0.073 0.000 0.846 216 Q CB -0.184 28.468 28.738 -0.143 0.000 0.902 216 Q HN 0.393 nan 8.270 nan 0.000 0.421 217 L N 0.566 121.656 121.223 -0.221 0.000 2.056 217 L HA -0.184 4.153 4.340 -0.005 0.000 0.207 217 L C 2.401 179.287 176.870 0.027 0.000 1.078 217 L CA 0.815 55.504 54.840 -0.252 0.000 0.749 217 L CB -0.384 41.392 42.059 -0.471 0.000 0.901 217 L HN 0.207 nan 8.230 nan 0.000 0.433 218 E N 0.279 120.620 120.200 0.234 0.000 2.058 218 E HA -0.235 4.112 4.350 -0.005 0.000 0.194 218 E C 1.768 178.528 176.600 0.266 0.000 0.997 218 E CA 1.459 58.087 56.400 0.380 0.000 0.801 218 E CB -0.295 29.579 29.700 0.291 0.000 0.746 218 E HN 0.500 nan 8.360 nan 0.000 0.450 219 D N 0.548 121.034 120.400 0.143 0.000 2.097 219 D HA -0.102 4.534 4.640 -0.005 0.000 0.195 219 D C 2.182 178.528 176.300 0.076 0.000 0.989 219 D CA 0.699 54.756 54.000 0.094 0.000 0.827 219 D CB -0.335 40.500 40.800 0.058 0.000 0.966 219 D HN 0.186 nan 8.370 nan 0.000 0.456 220 I N 0.093 120.695 120.570 0.053 0.000 2.179 220 I HA -0.246 3.921 4.170 -0.005 0.000 0.242 220 I C 2.227 178.389 176.117 0.076 0.000 1.088 220 I CA 0.673 61.991 61.300 0.030 0.000 1.357 220 I CB -0.222 37.761 38.000 -0.027 0.000 1.051 220 I HN -0.101 nan 8.210 nan 0.000 0.409 221 F N 1.906 121.854 119.950 -0.003 0.000 2.126 221 F HA -0.280 4.243 4.527 -0.006 0.000 0.299 221 F C 2.443 178.298 175.800 0.092 0.000 1.096 221 F CA 1.447 59.482 58.000 0.058 0.000 1.255 221 F CB -0.437 38.679 39.000 0.194 0.000 0.997 221 F HN 0.023 nan 8.300 nan 0.000 0.479 222 A N -0.199 122.647 122.820 0.043 0.000 1.972 222 A HA -0.192 4.125 4.320 -0.005 0.000 0.219 222 A C 1.951 179.470 177.584 -0.109 0.000 1.169 222 A CA 1.947 53.946 52.037 -0.063 0.000 0.635 222 A CB -0.902 18.130 19.000 0.054 0.000 0.810 222 A HN 0.458 nan 8.150 nan 0.000 0.446 223 D N -0.070 120.291 120.400 -0.065 0.000 2.149 223 D HA -0.081 4.555 4.640 -0.005 0.000 0.201 223 D C 1.718 177.967 176.300 -0.086 0.000 0.972 223 D CA 0.949 54.916 54.000 -0.054 0.000 0.835 223 D CB -0.128 40.660 40.800 -0.020 0.000 0.966 223 D HN 0.412 nan 8.370 nan 0.000 0.476 224 I N 0.221 120.709 120.570 -0.137 0.000 3.030 224 I HA 0.021 4.188 4.170 -0.005 0.000 0.270 224 I C 2.302 178.306 176.117 -0.188 0.000 1.211 224 I CA 0.204 61.423 61.300 -0.136 0.000 1.479 224 I CB -0.730 37.206 38.000 -0.106 0.000 1.105 224 I HN -0.050 nan 8.210 nan 0.000 0.447 225 R N 1.685 121.962 120.500 -0.372 0.000 2.113 225 R HA -0.184 4.153 4.340 -0.005 0.000 0.244 225 R C -0.429 175.821 176.300 -0.083 0.000 1.142 225 R CA 2.131 58.013 56.100 -0.363 0.000 0.953 225 R CB -1.051 28.922 30.300 -0.546 0.000 0.860 225 R HN 0.206 nan 8.270 nan 0.000 0.438 226 P HA -0.172 nan 4.420 nan 0.000 0.215 226 P C 1.186 178.489 177.300 0.006 0.000 1.153 226 P CA 0.929 64.009 63.100 -0.033 0.000 0.853 226 P CB -0.084 31.591 31.700 -0.040 0.000 0.788 227 L N -1.507 119.719 121.223 0.006 0.000 2.046 227 L HA -0.174 4.163 4.340 -0.005 0.000 0.208 227 L C 2.349 179.251 176.870 0.053 0.000 1.077 227 L CA 1.755 56.609 54.840 0.023 0.000 0.747 227 L CB -1.595 40.462 42.059 -0.004 0.000 0.896 227 L HN -0.075 nan 8.230 nan 0.000 0.432 228 Y N 0.164 120.443 120.300 -0.036 0.000 2.165 228 Y HA -0.279 4.268 4.550 -0.005 0.000 0.286 228 Y C 2.493 178.488 175.900 0.159 0.000 1.155 228 Y CA 2.092 60.205 58.100 0.023 0.000 1.164 228 Y CB -0.277 38.198 38.460 0.026 0.000 0.978 228 Y HN 0.357 nan 8.280 nan 0.000 0.513 229 Q N 0.006 119.834 119.800 0.047 0.000 2.135 229 Q HA -0.217 4.120 4.340 -0.005 0.000 0.204 229 Q C 2.050 178.096 176.000 0.076 0.000 0.981 229 Q CA 1.576 57.410 55.803 0.052 0.000 0.856 229 Q CB -0.433 28.329 28.738 0.041 0.000 0.902 229 Q HN 0.617 nan 8.270 nan 0.000 0.425 230 Q N 0.260 120.099 119.800 0.064 0.000 2.079 230 Q HA -0.024 4.313 4.340 -0.005 0.000 0.200 230 Q C 2.319 178.436 176.000 0.195 0.000 0.974 230 Q CA 0.830 56.698 55.803 0.108 0.000 0.840 230 Q CB -0.207 28.579 28.738 0.079 0.000 0.898 230 Q HN 0.441 nan 8.270 nan 0.000 0.430 231 I N 0.441 121.099 120.570 0.147 0.000 2.202 231 I HA -0.280 3.887 4.170 -0.005 0.000 0.242 231 I C 2.666 178.973 176.117 0.317 0.000 1.091 231 I CA 1.175 62.613 61.300 0.230 0.000 1.368 231 I CB -0.497 37.507 38.000 0.007 0.000 1.058 231 I HN 0.307 nan 8.210 nan 0.000 0.410 232 H N 1.332 120.410 119.070 0.013 0.000 2.290 232 H HA -0.170 4.383 4.556 -0.006 0.000 0.298 232 H C 2.162 177.604 175.328 0.191 0.000 1.087 232 H CA 2.185 58.296 56.048 0.105 0.000 1.291 232 H CB -0.384 29.281 29.762 -0.161 0.000 1.369 232 H HN 0.337 nan 8.280 nan 0.000 0.492 233 G N -0.621 108.408 108.800 0.381 0.000 2.440 233 G HA2 -0.331 3.626 3.960 -0.005 0.000 0.218 233 G HA3 -0.331 3.626 3.960 -0.005 0.000 0.218 233 G C 1.817 176.887 174.900 0.283 0.000 1.154 233 G CA 0.880 46.170 45.100 0.316 0.000 0.767 233 G HN 0.562 nan 8.290 nan 0.000 0.552 234 Y N 0.770 121.206 120.300 0.226 0.000 2.200 234 Y HA -0.076 4.471 4.550 -0.005 0.000 0.290 234 Y C 2.894 178.980 175.900 0.310 0.000 1.137 234 Y CA 1.424 59.698 58.100 0.289 0.000 1.163 234 Y CB -0.079 38.564 38.460 0.306 0.000 0.988 234 Y HN 0.042 nan 8.280 nan 0.000 0.518 235 V N 0.935 121.059 119.914 0.350 0.000 2.295 235 V HA -0.335 3.782 4.120 -0.005 0.000 0.246 235 V C 2.490 178.542 176.094 -0.070 0.000 1.049 235 V CA 2.344 64.744 62.300 0.167 0.000 1.024 235 V CB -0.724 31.233 31.823 0.223 0.000 0.648 235 V HN 0.381 nan 8.190 nan 0.000 0.447 236 R N -0.466 119.974 120.500 -0.101 0.000 2.081 236 R HA -0.226 4.111 4.340 -0.005 0.000 0.235 236 R C 2.301 178.582 176.300 -0.032 0.000 1.131 236 R CA 2.192 58.218 56.100 -0.123 0.000 0.960 236 R CB -0.494 29.742 30.300 -0.107 0.000 0.856 236 R HN 0.483 nan 8.270 nan 0.000 0.436 237 F N 1.623 121.496 119.950 -0.129 0.000 2.095 237 F HA -0.181 4.343 4.527 -0.006 0.000 0.298 237 F C 2.043 177.724 175.800 -0.199 0.000 1.104 237 F CA 1.513 59.422 58.000 -0.152 0.000 1.232 237 F CB -0.165 38.726 39.000 -0.182 0.000 0.987 237 F HN -0.067 nan 8.300 nan 0.000 0.475 238 R N 0.692 120.852 120.500 -0.566 0.000 2.092 238 R HA -0.040 4.297 4.340 -0.005 0.000 0.231 238 R C 2.404 178.510 176.300 -0.325 0.000 1.119 238 R CA 1.320 57.059 56.100 -0.603 0.000 0.970 238 R CB -1.201 28.828 30.300 -0.451 0.000 0.864 238 R HN 0.412 nan 8.270 nan 0.000 0.440 239 L N 0.199 121.304 121.223 -0.197 0.000 2.141 239 L HA -0.112 4.224 4.340 -0.005 0.000 0.209 239 L C 2.586 179.450 176.870 -0.009 0.000 1.094 239 L CA 1.219 56.026 54.840 -0.054 0.000 0.763 239 L CB -0.309 41.709 42.059 -0.068 0.000 0.908 239 L HN 0.114 nan 8.230 nan 0.000 0.437 240 R N 0.152 120.591 120.500 -0.103 0.000 2.096 240 R HA -0.151 4.186 4.340 -0.005 0.000 0.235 240 R C 2.240 178.467 176.300 -0.120 0.000 1.127 240 R CA 1.189 57.238 56.100 -0.085 0.000 0.968 240 R CB -0.158 30.099 30.300 -0.072 0.000 0.861 240 R HN 0.343 nan 8.270 nan 0.000 0.440 241 K N -1.002 119.263 120.400 -0.225 0.000 2.211 241 K HA -0.166 4.151 4.320 -0.005 0.000 0.203 241 K C 1.827 178.326 176.600 -0.167 0.000 1.050 241 K CA 1.276 57.426 56.287 -0.227 0.000 0.945 241 K CB -0.106 32.181 32.500 -0.354 0.000 0.732 241 K HN 0.294 nan 8.250 nan 0.000 0.451 242 H N -0.826 118.095 119.070 -0.248 0.000 2.329 242 H HA -0.034 4.518 4.556 -0.005 0.000 0.306 242 H C 1.191 176.301 175.328 -0.362 0.000 1.062 242 H CA 1.565 57.413 56.048 -0.333 0.000 1.364 242 H CB 0.205 29.703 29.762 -0.440 0.000 1.409 242 H HN 0.101 nan 8.280 nan 0.000 0.519 243 Y N -0.155 120.118 120.300 -0.045 0.000 2.510 243 Y HA 0.273 4.820 4.550 -0.006 0.000 0.273 243 Y C 1.261 177.061 175.900 -0.166 0.000 1.119 243 Y CA 0.569 58.600 58.100 -0.116 0.000 1.286 243 Y CB 0.580 38.960 38.460 -0.133 0.000 1.061 243 Y HN 0.497 nan 8.280 nan 0.000 0.542 244 G N 0.347 109.137 108.800 -0.017 0.000 2.746 244 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.685 244 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.685 244 G C -0.319 174.551 174.900 -0.050 0.000 1.350 244 G CA -0.247 44.823 45.100 -0.050 0.000 0.837 244 G HN 0.145 nan 8.290 nan 0.000 0.564 245 D N 0.262 120.632 120.400 -0.051 0.000 2.363 245 D HA 0.216 4.853 4.640 -0.005 0.000 0.220 245 D C 2.482 178.746 176.300 -0.060 0.000 0.994 245 D CA 1.370 55.341 54.000 -0.050 0.000 0.890 245 D CB -0.105 40.673 40.800 -0.036 0.000 0.906 245 D HN 0.835 nan 8.370 nan 0.000 0.530 246 A N 0.143 122.922 122.820 -0.068 0.000 2.014 246 A HA -0.062 4.255 4.320 -0.005 0.000 0.218 246 A C 2.252 179.768 177.584 -0.113 0.000 1.163 246 A CA 0.878 52.870 52.037 -0.075 0.000 0.652 246 A CB -0.070 18.893 19.000 -0.061 0.000 0.808 246 A HN 0.164 nan 8.150 nan 0.000 0.449 247 V N -1.192 118.627 119.914 -0.159 0.000 2.672 247 V HA 0.070 4.186 4.120 -0.005 0.000 0.242 247 V C 0.419 176.401 176.094 -0.187 0.000 1.059 247 V CA 0.789 62.948 62.300 -0.235 0.000 1.081 247 V CB 0.262 31.841 31.823 -0.406 0.000 0.752 247 V HN 0.174 nan 8.190 nan 0.000 0.472 248 V N 1.500 121.331 119.914 -0.137 0.000 2.444 248 V HA 0.530 4.647 4.120 -0.005 0.000 0.294 248 V C -0.033 176.018 176.094 -0.072 0.000 1.022 248 V CA -0.487 61.743 62.300 -0.117 0.000 0.850 248 V CB 1.644 33.399 31.823 -0.113 0.000 0.992 248 V HN 0.436 nan 8.190 nan 0.000 0.426 249 S N 2.418 118.083 115.700 -0.058 0.000 2.646 249 S HA 0.350 4.817 4.470 -0.005 0.000 0.276 249 S C 0.864 175.462 174.600 -0.003 0.000 1.222 249 S CA -0.226 57.955 58.200 -0.032 0.000 1.014 249 S CB 1.767 64.951 63.200 -0.028 0.000 0.991 249 S HN 0.835 nan 8.310 nan 0.000 0.533 250 E N 0.705 120.901 120.200 -0.007 0.000 2.106 250 E HA -0.137 4.210 4.350 -0.005 0.000 0.192 250 E C 1.442 178.059 176.600 0.029 0.000 0.984 250 E CA 1.640 58.049 56.400 0.014 0.000 0.806 250 E CB -0.187 29.493 29.700 -0.034 0.000 0.750 250 E HN 0.930 nan 8.360 nan 0.000 0.458 251 T N -3.087 111.447 114.554 -0.033 0.000 3.001 251 T HA 0.299 4.646 4.350 -0.005 0.000 0.251 251 T C 0.729 175.536 174.700 0.178 0.000 1.040 251 T CA 0.015 62.102 62.100 -0.023 0.000 0.985 251 T CB 0.839 69.590 68.868 -0.195 0.000 1.011 251 T HN 0.111 nan 8.240 nan 0.000 0.509 252 G N 2.103 110.986 108.800 0.138 0.000 2.502 252 G HA2 0.616 4.572 3.960 -0.005 0.000 0.305 252 G HA3 0.616 4.572 3.960 -0.005 0.000 0.305 252 G C -2.966 172.045 174.900 0.186 0.000 1.190 252 G CA -1.931 43.262 45.100 0.154 0.000 0.933 252 G HN 0.079 nan 8.290 nan 0.000 0.503 253 P HA 0.113 nan 4.420 nan 0.000 0.267 253 P C -0.030 177.231 177.300 -0.065 0.000 1.200 253 P CA -0.030 63.051 63.100 -0.031 0.000 0.772 253 P CB 0.629 32.265 31.700 -0.107 0.000 0.855 254 I N 4.146 124.646 120.570 -0.117 0.000 2.533 254 I HA 0.087 4.254 4.170 -0.005 0.000 0.284 254 I C -1.903 174.086 176.117 -0.213 0.000 1.109 254 I CA -1.988 59.181 61.300 -0.218 0.000 1.412 254 I CB 0.207 37.974 38.000 -0.389 0.000 1.396 254 I HN 0.150 nan 8.210 nan 0.000 0.543 255 P HA -0.016 nan 4.420 nan 0.000 0.265 255 P C 0.749 177.940 177.300 -0.182 0.000 1.222 255 P CA 0.022 63.012 63.100 -0.185 0.000 0.767 255 P CB 0.501 32.133 31.700 -0.112 0.000 0.801 256 M N 3.722 123.227 119.600 -0.158 0.000 2.374 256 M HA -0.134 4.343 4.480 -0.005 0.000 0.264 256 M C 1.419 177.687 176.300 -0.052 0.000 1.067 256 M CA 1.474 56.715 55.300 -0.097 0.000 1.103 256 M CB -0.885 31.735 32.600 0.034 0.000 1.402 256 M HN 0.328 nan 8.290 nan 0.000 0.444 257 H N 1.281 120.181 119.070 -0.284 0.000 2.545 257 H HA 0.070 4.623 4.556 -0.006 0.000 0.282 257 H C 1.396 176.624 175.328 -0.166 0.000 1.020 257 H CA 0.770 56.717 56.048 -0.168 0.000 1.243 257 H CB -0.975 28.648 29.762 -0.230 0.000 1.377 257 H HN 0.532 nan 8.280 nan 0.000 0.581 258 L N 0.466 121.344 121.223 -0.576 0.000 2.592 258 L HA 0.162 4.499 4.340 -0.005 0.000 0.227 258 L C 1.515 178.197 176.870 -0.314 0.000 1.127 258 L CA 0.040 54.554 54.840 -0.544 0.000 0.884 258 L CB 0.125 41.745 42.059 -0.731 0.000 1.065 258 L HN 0.128 nan 8.230 nan 0.000 0.457 259 L N -0.129 120.926 121.223 -0.279 0.000 2.628 259 L HA 0.304 4.640 4.340 -0.005 0.000 0.229 259 L C 1.418 178.252 176.870 -0.059 0.000 1.137 259 L CA 0.306 54.961 54.840 -0.310 0.000 0.909 259 L CB 0.040 41.738 42.059 -0.602 0.000 1.137 259 L HN 0.395 nan 8.230 nan 0.000 0.470 260 G N 0.683 109.468 108.800 -0.026 0.000 2.159 260 G HA2 -0.302 3.655 3.960 -0.005 0.000 0.256 260 G HA3 -0.302 3.655 3.960 -0.005 0.000 0.256 260 G C 0.036 174.972 174.900 0.059 0.000 0.977 260 G CA 0.209 45.327 45.100 0.030 0.000 0.652 260 G HN 0.459 nan 8.290 nan 0.000 0.531 261 N N -0.876 117.866 118.700 0.070 0.000 2.324 261 N HA 0.376 5.112 4.740 -0.005 0.000 0.285 261 N C 1.102 176.599 175.510 -0.021 0.000 1.076 261 N CA -0.251 52.842 53.050 0.071 0.000 0.864 261 N CB 1.365 39.972 38.487 0.201 0.000 1.632 261 N HN -0.024 nan 8.380 nan 0.000 0.478 262 M N 2.620 122.009 119.600 -0.353 0.000 2.260 262 M HA 0.035 4.512 4.480 -0.005 0.000 0.261 262 M C 0.477 176.474 176.300 -0.505 0.000 1.066 262 M CA 1.746 56.612 55.300 -0.723 0.000 1.082 262 M CB -0.125 31.436 32.600 -1.732 0.000 1.388 262 M HN 0.622 nan 8.290 nan 0.000 0.419 263 W N -0.943 120.530 121.300 0.288 0.000 3.005 263 W HA 0.575 5.232 4.660 -0.005 0.000 0.374 263 W C 1.073 177.741 176.519 0.248 0.000 1.076 263 W CA 0.184 57.739 57.345 0.349 0.000 1.794 263 W CB -0.935 28.657 29.460 0.220 0.000 1.113 263 W HN 0.372 nan 8.180 nan 0.000 0.584 264 A N 2.031 125.066 122.820 0.359 0.000 2.799 264 A HA -0.353 3.963 4.320 -0.005 0.000 0.287 264 A C 1.705 179.497 177.584 0.348 0.000 1.484 264 A CA 2.063 54.339 52.037 0.398 0.000 0.813 264 A CB -2.011 17.233 19.000 0.407 0.000 1.009 264 A HN 0.615 nan 8.150 nan 0.000 0.545 265 Q N -1.017 118.761 119.800 -0.038 0.000 2.331 265 Q HA 0.023 4.360 4.340 -0.005 0.000 0.203 265 Q C 0.814 176.779 176.000 -0.059 0.000 0.944 265 Q CA 1.188 56.689 55.803 -0.504 0.000 0.892 265 Q CB 0.079 28.073 28.738 -1.240 0.000 0.983 265 Q HN 1.110 nan 8.270 nan 0.000 0.482 266 Q N -1.000 118.860 119.800 0.099 0.000 2.309 266 Q HA 0.181 4.518 4.340 -0.005 0.000 0.273 266 Q C -1.442 174.750 176.000 0.319 0.000 1.040 266 Q CA -0.868 54.988 55.803 0.088 0.000 0.834 266 Q CB 1.170 29.970 28.738 0.102 0.000 1.345 266 Q HN 0.293 nan 8.270 nan 0.000 0.414 267 W N 2.322 123.672 121.300 0.084 0.000 2.991 267 W HA 0.182 4.839 4.660 -0.005 0.000 0.391 267 W C 1.434 177.995 176.519 0.070 0.000 1.054 267 W CA 0.173 57.560 57.345 0.070 0.000 1.856 267 W CB -0.060 29.440 29.460 0.068 0.000 1.132 267 W HN 0.808 nan 8.180 nan 0.000 0.601 268 S N -0.142 115.708 115.700 0.250 0.000 2.442 268 S HA -0.181 4.286 4.470 -0.005 0.000 0.236 268 S C 1.348 176.049 174.600 0.168 0.000 1.007 268 S CA 1.168 59.484 58.200 0.192 0.000 0.965 268 S CB -0.122 63.172 63.200 0.157 0.000 0.773 268 S HN 0.096 nan 8.310 nan 0.000 0.504 269 E N 1.678 121.969 120.200 0.152 0.000 2.338 269 E HA -0.007 4.340 4.350 -0.005 0.000 0.197 269 E C 1.728 178.377 176.600 0.081 0.000 1.007 269 E CA 0.968 57.429 56.400 0.102 0.000 0.849 269 E CB -0.348 29.400 29.700 0.080 0.000 0.774 269 E HN 0.965 nan 8.360 nan 0.000 0.506 270 I N -3.552 117.079 120.570 0.102 0.000 3.904 270 I HA 0.367 4.533 4.170 -0.005 0.000 0.333 270 I C 1.778 177.951 176.117 0.094 0.000 1.361 270 I CA -0.042 61.290 61.300 0.054 0.000 1.116 270 I CB 0.358 38.361 38.000 0.005 0.000 1.028 270 I HN -0.225 nan 8.210 nan 0.000 0.398 271 A N 2.625 125.535 122.820 0.150 0.000 1.948 271 A HA -0.272 4.045 4.320 -0.005 0.000 0.220 271 A C 2.109 179.774 177.584 0.135 0.000 1.177 271 A CA 2.215 54.371 52.037 0.199 0.000 0.636 271 A CB -0.776 18.351 19.000 0.212 0.000 0.815 271 A HN 0.756 nan 8.150 nan 0.000 0.449 272 D N 0.667 121.114 120.400 0.077 0.000 2.263 272 D HA -0.165 4.472 4.640 -0.005 0.000 0.208 272 D C 1.584 177.889 176.300 0.009 0.000 0.971 272 D CA 1.585 55.612 54.000 0.045 0.000 0.867 272 D CB -0.473 40.343 40.800 0.027 0.000 0.929 272 D HN 0.740 nan 8.370 nan 0.000 0.492 273 I N -1.697 118.853 120.570 -0.033 0.000 4.057 273 I HA 0.103 4.269 4.170 -0.005 0.000 0.334 273 I C 1.570 177.648 176.117 -0.065 0.000 1.308 273 I CA -0.193 61.048 61.300 -0.098 0.000 1.125 273 I CB 0.733 38.535 38.000 -0.330 0.000 1.034 273 I HN -0.049 nan 8.210 nan 0.000 0.401 274 V N -1.222 118.707 119.914 0.026 0.000 3.432 274 V HA 0.337 4.454 4.120 -0.005 0.000 0.298 274 V C 0.872 177.038 176.094 0.120 0.000 1.464 274 V CA 0.119 62.467 62.300 0.080 0.000 1.046 274 V CB -0.756 31.194 31.823 0.211 0.000 0.887 274 V HN 0.389 nan 8.190 nan 0.000 0.441 275 S N 0.929 116.681 115.700 0.087 0.000 2.549 275 S HA 0.341 4.808 4.470 -0.005 0.000 0.283 275 S C -1.189 173.353 174.600 -0.096 0.000 1.320 275 S CA -0.315 57.897 58.200 0.019 0.000 1.058 275 S CB 0.908 64.161 63.200 0.089 0.000 0.882 275 S HN 0.276 nan 8.310 nan 0.000 0.498 276 P HA -0.054 nan 4.420 nan 0.000 0.216 276 P C -0.225 176.699 177.300 -0.628 0.000 1.154 276 P CA 1.339 64.137 63.100 -0.503 0.000 0.865 276 P CB -0.033 31.064 31.700 -1.005 0.000 0.789 277 F N -2.708 117.214 119.950 -0.047 0.000 2.564 277 F HA 0.338 4.862 4.527 -0.006 0.000 0.368 277 F C -1.896 173.906 175.800 0.003 0.000 1.127 277 F CA -2.225 55.771 58.000 -0.007 0.000 1.170 277 F CB 1.346 40.315 39.000 -0.051 0.000 1.397 277 F HN -0.099 nan 8.300 nan 0.000 0.493 278 P HA -0.097 nan 4.420 nan 0.000 0.223 278 P C 0.875 178.227 177.300 0.086 0.000 1.151 278 P CA 1.218 64.370 63.100 0.088 0.000 0.787 278 P CB 0.302 32.035 31.700 0.054 0.000 0.788 279 E N -0.992 119.271 120.200 0.105 0.000 2.489 279 E HA 0.031 4.378 4.350 -0.005 0.000 0.193 279 E C 0.408 177.036 176.600 0.048 0.000 1.057 279 E CA 0.421 56.863 56.400 0.069 0.000 0.866 279 E CB 0.152 29.893 29.700 0.068 0.000 0.916 279 E HN 0.219 nan 8.360 nan 0.000 0.500 280 K N 1.312 121.752 120.400 0.066 0.000 2.221 280 K HA 0.348 4.665 4.320 -0.005 0.000 0.243 280 K C -2.531 174.085 176.600 0.026 0.000 0.968 280 K CA -2.460 53.831 56.287 0.008 0.000 0.846 280 K CB 0.974 33.455 32.500 -0.032 0.000 1.141 280 K HN -0.144 nan 8.250 nan 0.000 0.434 281 P HA 0.028 nan 4.420 nan 0.000 0.265 281 P C -0.665 176.726 177.300 0.152 0.000 1.193 281 P CA -0.299 62.837 63.100 0.060 0.000 0.765 281 P CB 0.458 32.155 31.700 -0.006 0.000 0.823 282 L N 4.663 125.984 121.223 0.164 0.000 2.376 282 L HA 0.287 4.624 4.340 -0.005 0.000 0.275 282 L C -0.702 176.263 176.870 0.157 0.000 0.987 282 L CA -0.848 54.094 54.840 0.170 0.000 0.828 282 L CB 1.985 44.125 42.059 0.135 0.000 1.249 282 L HN 0.042 nan 8.230 nan 0.000 0.409 283 V N 4.485 124.492 119.914 0.154 0.000 2.446 283 V HA 0.276 4.393 4.120 -0.005 0.000 0.276 283 V C -0.319 175.816 176.094 0.069 0.000 1.030 283 V CA 0.131 62.481 62.300 0.084 0.000 1.033 283 V CB 0.662 32.500 31.823 0.025 0.000 0.993 283 V HN 0.757 nan 8.190 nan 0.000 0.477 284 D N 3.915 124.337 120.400 0.036 0.000 2.337 284 D HA 0.168 4.804 4.640 -0.005 0.000 0.238 284 D C 0.275 176.557 176.300 -0.030 0.000 1.331 284 D CA -0.365 53.641 54.000 0.011 0.000 0.967 284 D CB 1.858 42.674 40.800 0.027 0.000 1.382 284 D HN 0.337 nan 8.370 nan 0.000 0.549 285 V N 1.143 121.013 119.914 -0.073 0.000 3.649 285 V HA 0.127 4.244 4.120 -0.005 0.000 0.275 285 V C 1.664 177.667 176.094 -0.152 0.000 1.281 285 V CA 0.615 62.846 62.300 -0.114 0.000 1.143 285 V CB 0.020 31.758 31.823 -0.141 0.000 0.892 285 V HN 0.275 nan 8.190 nan 0.000 0.441 286 S N 1.925 117.550 115.700 -0.125 0.000 2.374 286 S HA -0.171 4.295 4.470 -0.005 0.000 0.227 286 S C 2.295 176.831 174.600 -0.107 0.000 1.037 286 S CA 1.990 60.117 58.200 -0.122 0.000 1.024 286 S CB -0.565 62.587 63.200 -0.080 0.000 0.861 286 S HN 0.954 nan 8.310 nan 0.000 0.456 287 A N 1.715 124.489 122.820 -0.076 0.000 1.877 287 A HA -0.138 4.179 4.320 -0.005 0.000 0.216 287 A C 2.099 179.637 177.584 -0.076 0.000 1.186 287 A CA 1.353 53.355 52.037 -0.057 0.000 0.620 287 A CB -0.466 18.513 19.000 -0.034 0.000 0.822 287 A HN 0.338 nan 8.150 nan 0.000 0.443 288 E N -0.478 119.660 120.200 -0.102 0.000 2.150 288 E HA -0.126 4.221 4.350 -0.005 0.000 0.193 288 E C 2.052 178.528 176.600 -0.207 0.000 0.985 288 E CA 1.001 57.329 56.400 -0.119 0.000 0.814 288 E CB -0.373 29.259 29.700 -0.113 0.000 0.752 288 E HN 0.731 nan 8.360 nan 0.000 0.466 289 M N 0.339 119.740 119.600 -0.332 0.000 2.086 289 M HA -0.182 4.295 4.480 -0.005 0.000 0.261 289 M C 2.057 178.239 176.300 -0.196 0.000 1.067 289 M CA 1.570 56.521 55.300 -0.582 0.000 1.116 289 M CB -0.277 31.987 32.600 -0.561 0.000 1.348 289 M HN 0.023 nan 8.290 nan 0.000 0.407 290 E N 0.101 120.245 120.200 -0.092 0.000 2.077 290 E HA -0.209 4.138 4.350 -0.005 0.000 0.193 290 E C 2.003 178.612 176.600 0.015 0.000 0.989 290 E CA 1.031 57.428 56.400 -0.005 0.000 0.800 290 E CB -0.183 29.511 29.700 -0.010 0.000 0.746 290 E HN 0.398 nan 8.360 nan 0.000 0.452 291 K N 0.918 121.312 120.400 -0.009 0.000 2.147 291 K HA -0.175 4.142 4.320 -0.005 0.000 0.205 291 K C 1.795 178.417 176.600 0.036 0.000 1.049 291 K CA 1.210 57.502 56.287 0.008 0.000 0.936 291 K CB 0.121 32.617 32.500 -0.007 0.000 0.722 291 K HN 0.102 nan 8.250 nan 0.000 0.446 292 Q N -0.985 118.851 119.800 0.059 0.000 2.403 292 Q HA 0.075 4.411 4.340 -0.005 0.000 0.203 292 Q C 0.397 176.511 176.000 0.190 0.000 0.932 292 Q CA 0.431 56.314 55.803 0.133 0.000 0.945 292 Q CB 0.782 29.634 28.738 0.190 0.000 1.045 292 Q HN 0.564 nan 8.270 nan 0.000 0.511 293 G N 0.727 109.627 108.800 0.168 0.000 2.160 293 G HA2 -0.312 3.645 3.960 -0.005 0.000 0.244 293 G HA3 -0.312 3.645 3.960 -0.005 0.000 0.244 293 G C -0.357 174.659 174.900 0.193 0.000 1.022 293 G CA -0.357 44.828 45.100 0.143 0.000 0.741 293 G HN 0.403 nan 8.290 nan 0.000 0.508 294 Y N 1.184 121.497 120.300 0.022 0.000 2.702 294 Y HA 0.314 4.861 4.550 -0.005 0.000 0.336 294 Y C 1.649 177.576 175.900 0.044 0.000 1.235 294 Y CA 0.997 59.117 58.100 0.033 0.000 1.492 294 Y CB 0.707 39.183 38.460 0.027 0.000 1.308 294 Y HN 0.413 nan 8.280 nan 0.000 0.589 295 T N 0.294 114.925 114.554 0.127 0.000 2.916 295 T HA 0.322 4.668 4.350 -0.005 0.000 0.292 295 T C -2.292 172.504 174.700 0.159 0.000 1.064 295 T CA -2.348 59.824 62.100 0.121 0.000 1.011 295 T CB 1.976 70.890 68.868 0.076 0.000 1.152 295 T HN 0.178 nan 8.240 nan 0.000 0.510 296 P HA -0.089 nan 4.420 nan 0.000 0.216 296 P C 1.696 179.232 177.300 0.393 0.000 1.153 296 P CA 0.463 63.739 63.100 0.294 0.000 0.858 296 P CB -0.024 31.833 31.700 0.262 0.000 0.789 297 L N 0.305 121.685 121.223 0.262 0.000 2.012 297 L HA -0.168 4.168 4.340 -0.005 0.000 0.210 297 L C 2.265 179.276 176.870 0.235 0.000 1.073 297 L CA 2.008 57.004 54.840 0.260 0.000 0.748 297 L CB -1.125 41.004 42.059 0.116 0.000 0.891 297 L HN -0.175 nan 8.230 nan 0.000 0.431 298 K N -1.125 119.335 120.400 0.100 0.000 2.097 298 K HA -0.194 4.123 4.320 -0.005 0.000 0.206 298 K C 2.040 178.657 176.600 0.029 0.000 1.049 298 K CA 1.800 58.075 56.287 -0.020 0.000 0.933 298 K CB -0.137 32.231 32.500 -0.220 0.000 0.717 298 K HN 0.350 nan 8.250 nan 0.000 0.442 299 M N -0.468 119.200 119.600 0.113 0.000 2.086 299 M HA -0.121 4.356 4.480 -0.005 0.000 0.261 299 M C 1.837 178.183 176.300 0.078 0.000 1.067 299 M CA 1.653 57.018 55.300 0.109 0.000 1.116 299 M CB -0.279 32.381 32.600 0.101 0.000 1.348 299 M HN 0.070 nan 8.290 nan 0.000 0.407 300 F N 0.513 120.589 119.950 0.210 0.000 2.186 300 F HA -0.189 4.334 4.527 -0.007 0.000 0.299 300 F C 2.579 178.600 175.800 0.369 0.000 1.090 300 F CA 1.386 59.556 58.000 0.282 0.000 1.307 300 F CB -0.446 38.816 39.000 0.437 0.000 1.019 300 F HN 0.178 nan 8.300 nan 0.000 0.489 301 Q N -0.480 119.630 119.800 0.518 0.000 2.124 301 Q HA -0.210 4.127 4.340 -0.005 0.000 0.202 301 Q C 2.211 178.360 176.000 0.249 0.000 0.977 301 Q CA 1.553 57.569 55.803 0.355 0.000 0.850 301 Q CB -0.237 28.566 28.738 0.109 0.000 0.901 301 Q HN 0.460 nan 8.270 nan 0.000 0.429 302 M N -0.543 119.171 119.600 0.189 0.000 2.175 302 M HA -0.078 4.399 4.480 -0.005 0.000 0.264 302 M C 2.151 178.607 176.300 0.260 0.000 1.063 302 M CA 1.401 56.826 55.300 0.209 0.000 1.119 302 M CB -0.282 32.437 32.600 0.199 0.000 1.377 302 M HN 0.333 nan 8.290 nan 0.000 0.415 303 G N 0.035 108.881 108.800 0.077 0.000 2.421 303 G HA2 -0.265 3.691 3.960 -0.005 0.000 0.216 303 G HA3 -0.265 3.691 3.960 -0.005 0.000 0.216 303 G C 1.093 176.138 174.900 0.242 0.000 1.171 303 G CA 1.279 46.297 45.100 -0.136 0.000 0.775 303 G HN 0.380 nan 8.290 nan 0.000 0.543 304 D N 0.816 121.363 120.400 0.246 0.000 2.116 304 D HA -0.169 4.468 4.640 -0.005 0.000 0.193 304 D C 2.044 178.523 176.300 0.298 0.000 0.998 304 D CA 1.535 55.692 54.000 0.262 0.000 0.836 304 D CB -0.434 40.565 40.800 0.331 0.000 0.951 304 D HN 0.272 nan 8.370 nan 0.000 0.449 305 D N -1.192 119.384 120.400 0.294 0.000 2.123 305 D HA -0.205 4.431 4.640 -0.005 0.000 0.196 305 D C 2.077 178.574 176.300 0.329 0.000 0.992 305 D CA 0.905 55.075 54.000 0.282 0.000 0.833 305 D CB -0.665 40.304 40.800 0.282 0.000 0.954 305 D HN 0.339 nan 8.370 nan 0.000 0.455 306 F N -0.731 119.391 119.950 0.286 0.000 2.102 306 F HA -0.131 4.392 4.527 -0.006 0.000 0.298 306 F C 1.935 177.688 175.800 -0.078 0.000 1.105 306 F CA 1.224 59.346 58.000 0.203 0.000 1.239 306 F CB -0.204 38.896 39.000 0.168 0.000 0.991 306 F HN -0.062 nan 8.300 nan 0.000 0.474 307 F N 0.346 120.443 119.950 0.243 0.000 2.102 307 F HA -0.231 4.292 4.527 -0.007 0.000 0.298 307 F C 2.864 178.652 175.800 -0.020 0.000 1.105 307 F CA 1.933 59.966 58.000 0.054 0.000 1.239 307 F CB -1.310 37.666 39.000 -0.041 0.000 0.991 307 F HN 0.008 nan 8.300 nan 0.000 0.474 308 T N -2.719 111.941 114.554 0.176 0.000 2.915 308 T HA -0.176 4.171 4.350 -0.005 0.000 0.269 308 T C 2.115 176.783 174.700 -0.053 0.000 1.071 308 T CA 1.175 63.309 62.100 0.057 0.000 1.132 308 T CB -0.913 67.994 68.868 0.065 0.000 0.878 308 T HN 0.322 nan 8.240 nan 0.000 0.479 309 S N 1.662 117.263 115.700 -0.166 0.000 2.423 309 S HA 0.032 4.499 4.470 -0.005 0.000 0.231 309 S C 1.884 176.277 174.600 -0.345 0.000 1.014 309 S CA 0.657 58.612 58.200 -0.409 0.000 0.965 309 S CB -0.788 61.763 63.200 -1.082 0.000 0.785 309 S HN 0.569 nan 8.310 nan 0.000 0.495 310 M N 1.299 120.764 119.600 -0.225 0.000 2.568 310 M HA 0.279 4.756 4.480 -0.005 0.000 0.226 310 M C 0.564 176.827 176.300 -0.060 0.000 1.148 310 M CA 0.062 55.285 55.300 -0.128 0.000 1.007 310 M CB -0.509 32.050 32.600 -0.068 0.000 1.651 310 M HN 0.354 nan 8.290 nan 0.000 0.488 311 N N 0.986 119.646 118.700 -0.066 0.000 2.776 311 N HA -0.149 4.588 4.740 -0.005 0.000 0.249 311 N C -1.103 174.391 175.510 -0.027 0.000 1.111 311 N CA 0.573 53.594 53.050 -0.049 0.000 0.711 311 N CB -1.209 37.242 38.487 -0.060 0.000 1.065 311 N HN 0.397 nan 8.380 nan 0.000 0.556 312 L N -0.903 120.330 121.223 0.016 0.000 2.492 312 L HA 0.504 4.841 4.340 -0.005 0.000 0.263 312 L C 0.907 177.791 176.870 0.023 0.000 1.062 312 L CA -0.855 54.013 54.840 0.045 0.000 0.817 312 L CB 0.694 42.834 42.059 0.135 0.000 1.441 312 L HN -0.004 nan 8.230 nan 0.000 0.493 313 T N 0.824 115.374 114.554 -0.007 0.000 2.814 313 T HA 0.094 4.441 4.350 -0.005 0.000 0.297 313 T C 0.014 174.677 174.700 -0.060 0.000 0.956 313 T CA -0.328 61.748 62.100 -0.039 0.000 1.123 313 T CB 0.579 69.416 68.868 -0.052 0.000 0.902 313 T HN 0.353 nan 8.240 nan 0.000 0.528 314 K N 3.618 124.005 120.400 -0.022 0.000 2.382 314 K HA 0.151 4.468 4.320 -0.005 0.000 0.275 314 K C -0.164 176.404 176.600 -0.053 0.000 1.009 314 K CA -0.490 55.798 56.287 0.001 0.000 0.970 314 K CB 0.308 32.838 32.500 0.050 0.000 0.934 314 K HN 0.525 nan 8.250 nan 0.000 0.479 315 L N 6.575 127.744 121.223 -0.090 0.000 2.499 315 L HA 0.118 4.455 4.340 -0.005 0.000 0.273 315 L C -1.603 175.242 176.870 -0.042 0.000 1.195 315 L CA -1.603 53.080 54.840 -0.263 0.000 0.882 315 L CB 0.220 41.864 42.059 -0.690 0.000 1.133 315 L HN 0.673 nan 8.230 nan 0.000 0.483 316 P HA 0.020 nan 4.420 nan 0.000 0.274 316 P C -0.131 177.251 177.300 0.137 0.000 1.246 316 P CA -0.473 62.659 63.100 0.053 0.000 0.795 316 P CB 0.915 32.629 31.700 0.023 0.000 1.006 317 Q N 0.661 120.568 119.800 0.178 0.000 2.124 317 Q HA -0.173 4.163 4.340 -0.005 0.000 0.202 317 Q C 1.374 177.469 176.000 0.157 0.000 0.977 317 Q CA 1.932 57.882 55.803 0.245 0.000 0.850 317 Q CB -1.040 27.790 28.738 0.153 0.000 0.901 317 Q HN 0.335 nan 8.270 nan 0.000 0.429 318 D N -0.768 119.665 120.400 0.055 0.000 2.158 318 D HA -0.184 4.453 4.640 -0.005 0.000 0.197 318 D C 1.449 177.705 176.300 -0.073 0.000 0.995 318 D CA 0.988 54.967 54.000 -0.035 0.000 0.846 318 D CB -0.356 40.397 40.800 -0.079 0.000 0.941 318 D HN 0.328 nan 8.370 nan 0.000 0.456 319 F N -0.302 119.519 119.950 -0.214 0.000 2.069 319 F HA -0.199 4.325 4.527 -0.004 0.000 0.298 319 F C 1.964 177.570 175.800 -0.324 0.000 1.113 319 F CA 1.656 59.446 58.000 -0.350 0.000 1.214 319 F CB -0.513 38.160 39.000 -0.546 0.000 0.978 319 F HN 0.012 nan 8.300 nan 0.000 0.474 320 W N 0.717 122.082 121.300 0.108 0.000 2.388 320 W HA -0.146 4.508 4.660 -0.009 0.000 0.294 320 W C 2.230 178.683 176.519 -0.111 0.000 1.212 320 W CA 0.757 58.100 57.345 -0.004 0.000 1.271 320 W CB -0.591 28.919 29.460 0.084 0.000 1.126 320 W HN -0.038 nan 8.180 nan 0.000 0.535 321 D N 0.042 120.509 120.400 0.111 0.000 2.178 321 D HA -0.108 4.529 4.640 -0.005 0.000 0.202 321 D C 1.623 177.875 176.300 -0.080 0.000 0.974 321 D CA 1.404 55.412 54.000 0.013 0.000 0.841 321 D CB -0.244 40.554 40.800 -0.004 0.000 0.953 321 D HN 0.246 nan 8.370 nan 0.000 0.478 322 K N -0.372 119.917 120.400 -0.184 0.000 2.391 322 K HA 0.202 4.519 4.320 -0.005 0.000 0.197 322 K C 0.593 177.044 176.600 -0.247 0.000 1.087 322 K CA -0.103 56.032 56.287 -0.252 0.000 1.012 322 K CB 0.934 33.184 32.500 -0.416 0.000 0.925 322 K HN -0.143 nan 8.250 nan 0.000 0.547 323 S N 1.271 116.746 115.700 -0.376 0.000 2.579 323 S HA 0.212 4.679 4.470 -0.005 0.000 0.275 323 S C 0.196 174.720 174.600 -0.127 0.000 1.345 323 S CA -0.072 57.911 58.200 -0.362 0.000 1.031 323 S CB 0.553 63.181 63.200 -0.955 0.000 0.892 323 S HN 0.117 nan 8.310 nan 0.000 0.529 324 I N 2.864 123.427 120.570 -0.013 0.000 2.354 324 I HA 0.290 4.456 4.170 -0.005 0.000 0.286 324 I C 0.649 176.710 176.117 -0.092 0.000 1.007 324 I CA -0.129 61.143 61.300 -0.048 0.000 1.167 324 I CB 0.889 38.850 38.000 -0.064 0.000 1.320 324 I HN 0.654 nan 8.210 nan 0.000 0.458 325 I N 1.227 121.729 120.570 -0.114 0.000 4.025 325 I HA 0.472 4.639 4.170 -0.005 0.000 0.336 325 I C 0.056 176.211 176.117 0.063 0.000 1.390 325 I CA 0.022 61.270 61.300 -0.087 0.000 1.099 325 I CB 0.275 38.083 38.000 -0.320 0.000 1.049 325 I HN 0.421 nan 8.210 nan 0.000 0.394 326 E N 2.010 122.230 120.200 0.032 0.000 2.356 326 E HA 0.349 4.696 4.350 -0.005 0.000 0.275 326 E C -1.185 175.427 176.600 0.021 0.000 0.904 326 E CA -0.991 55.438 56.400 0.048 0.000 0.757 326 E CB 2.757 32.484 29.700 0.044 0.000 1.232 326 E HN 0.096 nan 8.360 nan 0.000 0.442 327 K N 2.915 123.330 120.400 0.025 0.000 2.447 327 K HA 0.133 4.450 4.320 -0.005 0.000 0.281 327 K C -2.270 174.329 176.600 -0.001 0.000 1.031 327 K CA -1.173 55.118 56.287 0.007 0.000 1.019 327 K CB 0.207 32.715 32.500 0.014 0.000 0.918 327 K HN 0.109 nan 8.250 nan 0.000 0.476 328 P HA -0.044 nan 4.420 nan 0.000 0.266 328 P C 0.068 177.362 177.300 -0.009 0.000 1.195 328 P CA 0.002 63.091 63.100 -0.018 0.000 0.768 328 P CB 0.772 32.450 31.700 -0.035 0.000 0.838 329 T N -2.627 111.925 114.554 -0.004 0.000 3.107 329 T HA 0.044 4.390 4.350 -0.005 0.000 0.249 329 T C 0.466 175.166 174.700 -0.000 0.000 1.096 329 T CA -0.250 61.850 62.100 0.001 0.000 1.012 329 T CB -0.559 68.312 68.868 0.005 0.000 0.977 329 T HN 0.402 nan 8.240 nan 0.000 0.527 330 D N 1.463 121.860 120.400 -0.005 0.000 2.414 330 D HA 0.333 4.969 4.640 -0.005 0.000 0.259 330 D C 1.607 177.905 176.300 -0.004 0.000 1.269 330 D CA -0.304 53.693 54.000 -0.004 0.000 1.028 330 D CB -0.195 40.600 40.800 -0.007 0.000 1.093 330 D HN 0.071 nan 8.370 nan 0.000 0.545 331 G N -1.585 107.214 108.800 -0.002 0.000 2.848 331 G HA2 -0.111 3.846 3.960 -0.005 0.000 0.208 331 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.208 331 G C 0.718 175.616 174.900 -0.004 0.000 1.152 331 G CA -0.088 45.012 45.100 0.000 0.000 0.789 331 G HN 0.613 nan 8.290 nan 0.000 0.531 332 R N 0.647 121.139 120.500 -0.013 0.000 2.694 332 R HA 0.168 4.504 4.340 -0.005 0.000 0.268 332 R C -1.327 174.956 176.300 -0.028 0.000 1.061 332 R CA -0.300 55.787 56.100 -0.022 0.000 1.133 332 R CB 0.646 30.925 30.300 -0.034 0.000 1.020 332 R HN -0.102 nan 8.270 nan 0.000 0.475 333 D N 2.722 123.101 120.400 -0.034 0.000 2.255 333 D HA 0.394 5.031 4.640 -0.005 0.000 0.249 333 D C 0.099 176.348 176.300 -0.084 0.000 1.078 333 D CA -0.160 53.814 54.000 -0.043 0.000 0.896 333 D CB 1.510 42.290 40.800 -0.033 0.000 1.194 333 D HN 0.528 nan 8.370 nan 0.000 0.429 334 L N -2.224 118.952 121.223 -0.077 0.000 2.720 334 L HA 0.522 4.859 4.340 -0.005 0.000 0.261 334 L C -1.384 175.456 176.870 -0.050 0.000 1.046 334 L CA -1.095 53.676 54.840 -0.116 0.000 0.886 334 L CB 1.537 43.520 42.059 -0.127 0.000 1.493 334 L HN -0.013 nan 8.230 nan 0.000 0.407 335 V N 1.016 120.900 119.914 -0.051 0.000 2.372 335 V HA 0.100 4.216 4.120 -0.005 0.000 0.261 335 V C 0.873 176.993 176.094 0.043 0.000 1.055 335 V CA -0.074 62.263 62.300 0.061 0.000 0.930 335 V CB 0.536 32.430 31.823 0.118 0.000 1.031 335 V HN 0.994 nan 8.190 nan 0.000 0.479 336 c N 3.218 121.862 118.600 0.073 0.000 2.495 336 c HA 0.040 4.607 4.570 -0.005 0.000 0.275 336 c C 1.517 175.632 174.090 0.042 0.000 1.392 336 c CA -0.022 56.337 56.329 0.049 0.000 1.766 336 c CB -1.198 41.343 42.510 0.052 0.000 1.933 336 c HN 0.954 nan 8.230 nan 0.000 0.519 337 H N 1.088 120.107 119.070 -0.085 0.000 3.187 337 H HA 0.299 4.851 4.556 -0.006 0.000 0.286 337 H C 0.664 175.908 175.328 -0.141 0.000 0.944 337 H CA 0.463 56.361 56.048 -0.251 0.000 1.429 337 H CB 0.360 29.594 29.762 -0.879 0.000 1.483 337 H HN 0.481 nan 8.280 nan 0.000 0.555 338 A N 4.652 127.347 122.820 -0.208 0.000 2.540 338 A HA 0.371 4.688 4.320 -0.005 0.000 0.239 338 A C -0.026 177.680 177.584 0.203 0.000 1.061 338 A CA 0.543 52.608 52.037 0.046 0.000 0.758 338 A CB -0.078 18.951 19.000 0.048 0.000 0.991 338 A HN 0.870 nan 8.150 nan 0.000 0.502 339 S N 0.379 116.279 115.700 0.333 0.000 2.570 339 S HA 0.805 5.272 4.470 -0.005 0.000 0.270 339 S C -0.680 174.237 174.600 0.529 0.000 1.149 339 S CA -0.182 58.248 58.200 0.383 0.000 0.837 339 S CB 1.507 64.940 63.200 0.388 0.000 1.124 339 S HN 2.140 nan 8.310 nan 0.000 0.465 340 A N 0.870 123.919 122.820 0.380 0.000 2.365 340 A HA 0.806 5.123 4.320 -0.005 0.000 0.318 340 A C -1.806 176.042 177.584 0.439 0.000 1.091 340 A CA -0.715 51.644 52.037 0.536 0.000 0.763 340 A CB 0.601 19.861 19.000 0.432 0.000 1.248 340 A HN 0.755 nan 8.150 nan 0.000 0.442 341 W N 0.863 122.380 121.300 0.363 0.000 2.739 341 W HA 0.516 5.172 4.660 -0.007 0.000 0.331 341 W C -0.801 175.486 176.519 -0.387 0.000 1.049 341 W CA -0.209 57.119 57.345 -0.029 0.000 1.234 341 W CB 1.940 31.415 29.460 0.026 0.000 1.404 341 W HN 0.652 nan 8.180 nan 0.000 0.477 342 D N 1.832 121.709 120.400 -0.872 0.000 2.308 342 D HA 0.315 4.952 4.640 -0.005 0.000 0.242 342 D C -0.313 175.461 176.300 -0.877 0.000 1.059 342 D CA -0.533 52.780 54.000 -1.145 0.000 0.830 342 D CB 0.998 40.582 40.800 -2.028 0.000 1.161 342 D HN 0.228 nan 8.370 nan 0.000 0.494 343 F N 2.241 121.962 119.950 -0.381 0.000 2.695 343 F HA 0.158 4.681 4.527 -0.007 0.000 0.303 343 F C 0.417 176.246 175.800 0.048 0.000 1.091 343 F CA -0.340 57.599 58.000 -0.102 0.000 1.300 343 F CB -0.129 38.817 39.000 -0.091 0.000 1.071 343 F HN 0.422 nan 8.300 nan 0.000 0.578 344 Y N -1.248 119.112 120.300 0.101 0.000 4.490 344 Y HA -0.288 4.258 4.550 -0.006 0.000 0.233 344 Y C 0.688 176.656 175.900 0.112 0.000 1.101 344 Y CA -0.240 57.933 58.100 0.122 0.000 2.010 344 Y CB -2.163 36.404 38.460 0.178 0.000 1.622 344 Y HN 0.042 nan 8.280 nan 0.000 0.675 345 L N -1.493 119.838 121.223 0.180 0.000 2.694 345 L HA 0.557 4.894 4.340 -0.005 0.000 0.198 345 L C 0.762 177.694 176.870 0.102 0.000 1.903 345 L CA -0.504 54.410 54.840 0.123 0.000 2.945 345 L CB 0.332 42.440 42.059 0.081 0.000 2.882 345 L HN -0.097 nan 8.230 nan 0.000 0.702 346 T N -0.087 114.509 114.554 0.070 0.000 2.786 346 T HA 0.266 4.613 4.350 -0.005 0.000 0.283 346 T C -0.798 173.928 174.700 0.043 0.000 0.992 346 T CA -0.347 61.792 62.100 0.065 0.000 0.954 346 T CB 1.315 70.219 68.868 0.059 0.000 0.934 346 T HN 0.521 nan 8.240 nan 0.000 0.440 347 D N 0.883 121.311 120.400 0.046 0.000 3.046 347 D HA -0.132 4.504 4.640 -0.005 0.000 0.210 347 D C -0.038 176.272 176.300 0.017 0.000 1.124 347 D CA 1.149 55.168 54.000 0.031 0.000 0.986 347 D CB -0.578 40.237 40.800 0.025 0.000 1.118 347 D HN 0.594 nan 8.370 nan 0.000 0.416 348 D N 0.694 121.100 120.400 0.011 0.000 2.483 348 D HA 0.300 4.937 4.640 -0.005 0.000 0.220 348 D C -0.264 176.080 176.300 0.073 0.000 1.173 348 D CA -0.253 53.724 54.000 -0.037 0.000 0.964 348 D CB 0.142 40.882 40.800 -0.101 0.000 1.046 348 D HN 0.120 nan 8.370 nan 0.000 0.517 349 V N 1.044 121.014 119.914 0.094 0.000 2.823 349 V HA 0.775 4.892 4.120 -0.005 0.000 0.312 349 V C -0.346 175.892 176.094 0.240 0.000 1.072 349 V CA -0.997 61.443 62.300 0.233 0.000 0.937 349 V CB 2.177 34.165 31.823 0.274 0.000 1.013 349 V HN 0.254 nan 8.190 nan 0.000 0.430 350 R N 2.802 123.484 120.500 0.304 0.000 2.707 350 R HA 0.753 5.090 4.340 -0.005 0.000 0.272 350 R C -1.605 174.885 176.300 0.317 0.000 1.011 350 R CA -0.729 55.390 56.100 0.031 0.000 0.893 350 R CB 2.786 32.841 30.300 -0.408 0.000 1.233 350 R HN 0.773 nan 8.270 nan 0.000 0.464 351 I N 1.259 121.889 120.570 0.100 0.000 2.530 351 I HA 0.359 4.525 4.170 -0.005 0.000 0.297 351 I C -0.567 175.726 176.117 0.294 0.000 1.011 351 I CA -0.705 60.806 61.300 0.352 0.000 1.107 351 I CB 2.144 40.393 38.000 0.414 0.000 1.285 351 I HN 0.341 nan 8.210 nan 0.000 0.436 352 K N 6.225 126.855 120.400 0.383 0.000 2.425 352 K HA 0.462 4.779 4.320 -0.005 0.000 0.259 352 K C -1.201 175.507 176.600 0.179 0.000 0.978 352 K CA -0.468 55.911 56.287 0.153 0.000 0.883 352 K CB 1.165 33.596 32.500 -0.115 0.000 1.110 352 K HN 0.607 nan 8.250 nan 0.000 0.436 353 Q N 3.908 123.796 119.800 0.146 0.000 2.289 353 Q HA 0.298 4.634 4.340 -0.005 0.000 0.270 353 Q C -1.436 174.641 176.000 0.129 0.000 1.038 353 Q CA -0.823 55.090 55.803 0.183 0.000 0.812 353 Q CB 1.713 30.661 28.738 0.351 0.000 1.300 353 Q HN 0.768 nan 8.270 nan 0.000 0.427 354 c N 3.825 122.479 118.600 0.090 0.000 2.615 354 c HA 0.263 4.830 4.570 -0.005 0.000 0.503 354 c C 0.240 174.384 174.090 0.092 0.000 1.039 354 c CA -0.343 56.027 56.329 0.069 0.000 1.226 354 c CB -1.750 40.784 42.510 0.040 0.000 1.447 354 c HN 0.609 nan 8.230 nan 0.000 0.572 355 T N 2.989 117.628 114.554 0.142 0.000 2.888 355 T HA 0.191 4.537 4.350 -0.005 0.000 0.301 355 T C 0.446 175.214 174.700 0.113 0.000 1.001 355 T CA 0.363 62.563 62.100 0.166 0.000 1.147 355 T CB 0.545 69.589 68.868 0.293 0.000 0.931 355 T HN 0.600 nan 8.240 nan 0.000 0.541 356 R N 1.425 121.975 120.500 0.083 0.000 2.832 356 R HA 0.541 4.877 4.340 -0.005 0.000 0.271 356 R C -0.746 175.588 176.300 0.056 0.000 0.996 356 R CA -0.968 55.168 56.100 0.059 0.000 0.977 356 R CB 1.530 31.849 30.300 0.033 0.000 1.168 356 R HN 0.358 nan 8.270 nan 0.000 0.482 357 V N 2.465 122.410 119.914 0.052 0.000 2.223 357 V HA 0.162 4.279 4.120 -0.005 0.000 0.249 357 V C 0.122 176.210 176.094 -0.010 0.000 1.233 357 V CA -0.061 62.268 62.300 0.048 0.000 1.131 357 V CB -0.381 31.488 31.823 0.077 0.000 1.298 357 V HN 0.934 nan 8.190 nan 0.000 0.498 358 T N -0.398 114.132 114.554 -0.040 0.000 2.864 358 T HA 0.349 4.696 4.350 -0.005 0.000 0.299 358 T C 0.584 175.185 174.700 -0.165 0.000 1.166 358 T CA -0.496 61.552 62.100 -0.087 0.000 1.007 358 T CB 2.159 70.991 68.868 -0.059 0.000 1.219 358 T HN 0.268 nan 8.240 nan 0.000 0.506 359 Q N 0.304 119.972 119.800 -0.221 0.000 2.050 359 Q HA -0.194 4.142 4.340 -0.005 0.000 0.202 359 Q C 1.629 177.260 176.000 -0.616 0.000 0.980 359 Q CA 2.591 58.144 55.803 -0.417 0.000 0.840 359 Q CB -0.433 28.111 28.738 -0.324 0.000 0.898 359 Q HN 0.876 nan 8.270 nan 0.000 0.424 360 D N -0.580 119.644 120.400 -0.293 0.000 2.123 360 D HA -0.221 4.416 4.640 -0.005 0.000 0.196 360 D C 1.955 178.193 176.300 -0.105 0.000 0.992 360 D CA 1.423 55.351 54.000 -0.120 0.000 0.833 360 D CB 0.030 40.835 40.800 0.008 0.000 0.954 360 D HN 0.259 nan 8.370 nan 0.000 0.455 361 Q N -0.516 119.220 119.800 -0.106 0.000 2.167 361 Q HA -0.084 4.252 4.340 -0.005 0.000 0.202 361 Q C 2.268 178.229 176.000 -0.065 0.000 0.970 361 Q CA 0.435 56.209 55.803 -0.048 0.000 0.855 361 Q CB -0.318 28.410 28.738 -0.017 0.000 0.911 361 Q HN 0.378 nan 8.270 nan 0.000 0.438 362 L N 0.109 121.237 121.223 -0.159 0.000 2.083 362 L HA -0.148 4.189 4.340 -0.005 0.000 0.209 362 L C 1.876 178.780 176.870 0.057 0.000 1.083 362 L CA 1.539 56.322 54.840 -0.095 0.000 0.752 362 L CB -0.520 41.425 42.059 -0.190 0.000 0.899 362 L HN 0.012 nan 8.230 nan 0.000 0.433 363 F N -0.587 119.369 119.950 0.011 0.000 2.146 363 F HA -0.133 4.390 4.527 -0.006 0.000 0.298 363 F C 2.526 178.345 175.800 0.032 0.000 1.096 363 F CA 1.448 59.430 58.000 -0.031 0.000 1.275 363 F CB -1.895 37.050 39.000 -0.091 0.000 1.008 363 F HN 0.023 nan 8.300 nan 0.000 0.480 364 T N 0.107 114.774 114.554 0.189 0.000 2.720 364 T HA -0.148 4.199 4.350 -0.005 0.000 0.268 364 T C 2.356 177.135 174.700 0.132 0.000 1.037 364 T CA 1.458 63.641 62.100 0.137 0.000 1.144 364 T CB -0.725 68.184 68.868 0.069 0.000 0.864 364 T HN 0.052 nan 8.240 nan 0.000 0.444 365 V N 1.049 120.965 119.914 0.003 0.000 2.287 365 V HA -0.245 3.872 4.120 -0.005 0.000 0.248 365 V C 2.281 178.305 176.094 -0.118 0.000 1.053 365 V CA 1.939 64.091 62.300 -0.247 0.000 1.027 365 V CB -0.694 30.763 31.823 -0.609 0.000 0.646 365 V HN 0.561 nan 8.190 nan 0.000 0.447 366 H N -1.364 117.689 119.070 -0.029 0.000 2.389 366 H HA -0.155 4.397 4.556 -0.006 0.000 0.299 366 H C 2.257 177.600 175.328 0.025 0.000 1.081 366 H CA 1.919 57.964 56.048 -0.004 0.000 1.345 366 H CB -0.303 29.396 29.762 -0.104 0.000 1.393 366 H HN 0.639 nan 8.280 nan 0.000 0.520 367 H N 0.720 119.839 119.070 0.082 0.000 2.319 367 H HA -0.115 4.438 4.556 -0.004 0.000 0.299 367 H C 1.854 177.200 175.328 0.030 0.000 1.092 367 H CA 1.846 57.904 56.048 0.017 0.000 1.302 367 H CB 0.282 30.072 29.762 0.047 0.000 1.373 367 H HN 0.240 nan 8.280 nan 0.000 0.497 368 E N 0.406 120.729 120.200 0.205 0.000 2.106 368 E HA -0.106 4.241 4.350 -0.005 0.000 0.192 368 E C 2.550 179.231 176.600 0.136 0.000 0.984 368 E CA 0.768 57.334 56.400 0.276 0.000 0.806 368 E CB -0.218 29.720 29.700 0.396 0.000 0.750 368 E HN 0.552 nan 8.360 nan 0.000 0.458 369 L N 0.347 121.602 121.223 0.054 0.000 2.201 369 L HA -0.057 4.279 4.340 -0.005 0.000 0.212 369 L C 2.402 179.069 176.870 -0.338 0.000 1.105 369 L CA 0.939 55.698 54.840 -0.135 0.000 0.775 369 L CB -0.614 41.381 42.059 -0.107 0.000 0.913 369 L HN 0.168 nan 8.230 nan 0.000 0.440 370 G N -1.013 107.707 108.800 -0.134 0.000 2.418 370 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.217 370 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.217 370 G C 1.369 176.065 174.900 -0.339 0.000 1.158 370 G CA 0.454 45.445 45.100 -0.181 0.000 0.771 370 G HN 0.343 nan 8.290 nan 0.000 0.545 371 H N 0.550 119.457 119.070 -0.272 0.000 2.319 371 H HA -0.041 4.511 4.556 -0.006 0.000 0.299 371 H C 2.790 177.594 175.328 -0.873 0.000 1.092 371 H CA 1.147 56.955 56.048 -0.401 0.000 1.302 371 H CB -0.229 29.344 29.762 -0.315 0.000 1.373 371 H HN 0.188 nan 8.280 nan 0.000 0.497 372 I N 0.967 121.289 120.570 -0.414 0.000 2.208 372 I HA -0.258 3.909 4.170 -0.005 0.000 0.245 372 I C 2.597 178.495 176.117 -0.365 0.000 1.097 372 I CA 1.228 62.356 61.300 -0.287 0.000 1.363 372 I CB -0.985 36.912 38.000 -0.172 0.000 1.051 372 I HN 0.224 nan 8.210 nan 0.000 0.413 373 Q N 0.437 119.924 119.800 -0.522 0.000 2.084 373 Q HA -0.232 4.104 4.340 -0.005 0.000 0.202 373 Q C 2.314 178.128 176.000 -0.309 0.000 0.978 373 Q CA 1.741 57.248 55.803 -0.492 0.000 0.844 373 Q CB -0.650 27.659 28.738 -0.716 0.000 0.898 373 Q HN 0.566 nan 8.270 nan 0.000 0.426 374 Y N -0.935 119.061 120.300 -0.505 0.000 2.128 374 Y HA -0.291 4.255 4.550 -0.007 0.000 0.284 374 Y C 1.573 176.933 175.900 -0.900 0.000 1.154 374 Y CA 0.859 58.599 58.100 -0.601 0.000 1.149 374 Y CB -0.032 37.967 38.460 -0.768 0.000 0.976 374 Y HN 0.164 nan 8.280 nan 0.000 0.505 375 F N 0.025 119.685 119.950 -0.484 0.000 2.091 375 F HA -0.304 4.218 4.527 -0.008 0.000 0.299 375 F C 2.174 177.728 175.800 -0.409 0.000 1.103 375 F CA 1.272 58.924 58.000 -0.580 0.000 1.228 375 F CB -1.352 37.536 39.000 -0.186 0.000 0.984 375 F HN 0.042 nan 8.300 nan 0.000 0.477 376 L N -0.775 120.419 121.223 -0.048 0.000 2.093 376 L HA -0.180 4.156 4.340 -0.005 0.000 0.208 376 L C 2.555 179.443 176.870 0.031 0.000 1.085 376 L CA 0.935 55.770 54.840 -0.008 0.000 0.755 376 L CB -0.678 41.350 42.059 -0.052 0.000 0.904 376 L HN 0.127 nan 8.230 nan 0.000 0.435 377 Q N -0.139 119.652 119.800 -0.015 0.000 2.167 377 Q HA -0.167 4.170 4.340 -0.005 0.000 0.202 377 Q C 1.504 177.690 176.000 0.310 0.000 0.970 377 Q CA 1.360 57.237 55.803 0.123 0.000 0.855 377 Q CB -0.011 28.782 28.738 0.091 0.000 0.911 377 Q HN 0.732 nan 8.270 nan 0.000 0.438 378 Y N -0.674 119.798 120.300 0.288 0.000 2.584 378 Y HA 0.281 4.827 4.550 -0.006 0.000 0.254 378 Y C 1.546 177.511 175.900 0.108 0.000 1.177 378 Y CA -0.418 57.795 58.100 0.188 0.000 1.216 378 Y CB -0.863 37.673 38.460 0.126 0.000 1.172 378 Y HN 0.062 nan 8.280 nan 0.000 0.529 379 Q N 0.801 120.845 119.800 0.406 0.000 2.364 379 Q HA -0.181 4.156 4.340 -0.005 0.000 0.207 379 Q C 1.251 177.407 176.000 0.259 0.000 0.970 379 Q CA 1.669 57.662 55.803 0.317 0.000 0.888 379 Q CB -0.830 28.037 28.738 0.215 0.000 0.951 379 Q HN 0.738 nan 8.270 nan 0.000 0.469 380 H N -0.685 118.498 119.070 0.187 0.000 2.548 380 H HA 0.176 4.735 4.556 0.004 0.000 0.268 380 H C 0.143 175.556 175.328 0.143 0.000 0.975 380 H CA -0.072 56.062 56.048 0.143 0.000 1.195 380 H CB 0.025 29.862 29.762 0.124 0.000 1.397 380 H HN 0.165 nan 8.280 nan 0.000 0.572 381 Q N 2.530 122.109 119.800 -0.369 0.000 2.417 381 Q HA 0.215 4.552 4.340 -0.005 0.000 0.241 381 Q C -2.052 173.923 176.000 -0.042 0.000 1.008 381 Q CA -1.784 53.888 55.803 -0.218 0.000 0.901 381 Q CB 0.649 29.288 28.738 -0.166 0.000 1.259 381 Q HN 0.317 nan 8.270 nan 0.000 0.489 382 P HA -0.096 nan 4.420 nan 0.000 0.267 382 P C 0.510 177.755 177.300 -0.090 0.000 1.200 382 P CA 0.090 63.135 63.100 -0.093 0.000 0.772 382 P CB 0.310 31.860 31.700 -0.250 0.000 0.855 383 F N 3.804 123.653 119.950 -0.168 0.000 2.085 383 F HA -0.292 4.231 4.527 -0.007 0.000 0.299 383 F C 1.851 177.529 175.800 -0.203 0.000 1.096 383 F CA 2.540 60.447 58.000 -0.155 0.000 1.227 383 F CB -0.923 37.959 39.000 -0.197 0.000 0.983 383 F HN 0.121 nan 8.300 nan 0.000 0.482 384 V N -2.320 117.385 119.914 -0.349 0.000 2.867 384 V HA -0.246 3.871 4.120 -0.005 0.000 0.260 384 V C 1.643 177.543 176.094 -0.323 0.000 1.099 384 V CA 1.471 63.507 62.300 -0.440 0.000 1.122 384 V CB -1.595 30.012 31.823 -0.360 0.000 0.708 384 V HN 0.421 nan 8.190 nan 0.000 0.490 385 Y N 0.726 120.820 120.300 -0.344 0.000 2.457 385 Y HA 0.415 4.961 4.550 -0.007 0.000 0.263 385 Y C 1.655 177.231 175.900 -0.540 0.000 1.164 385 Y CA -0.884 57.004 58.100 -0.352 0.000 1.274 385 Y CB -0.340 37.972 38.460 -0.246 0.000 1.097 385 Y HN 0.280 nan 8.280 nan 0.000 0.523 386 R N 0.524 120.752 120.500 -0.454 0.000 4.138 386 R HA 0.254 4.590 4.340 -0.005 0.000 0.206 386 R C 0.092 175.886 176.300 -0.843 0.000 1.667 386 R CA 0.148 55.815 56.100 -0.722 0.000 1.481 386 R CB -0.046 30.187 30.300 -0.112 0.000 1.388 386 R HN -0.009 nan 8.270 nan 0.000 0.776 387 T N -1.481 112.430 114.554 -1.072 0.000 2.718 387 T HA 0.412 4.759 4.350 -0.005 0.000 0.306 387 T C -0.325 174.090 174.700 -0.474 0.000 1.485 387 T CA -0.434 61.368 62.100 -0.497 0.000 0.997 387 T CB 1.289 69.995 68.868 -0.270 0.000 1.504 387 T HN 0.425 nan 8.240 nan 0.000 0.497 388 G N 0.403 109.122 108.800 -0.135 0.000 2.594 388 G HA2 0.479 4.436 3.960 -0.005 0.000 0.243 388 G HA3 0.479 4.436 3.960 -0.005 0.000 0.243 388 G C 1.338 176.148 174.900 -0.150 0.000 1.229 388 G CA 0.197 45.151 45.100 -0.243 0.000 0.843 388 G HN 1.049 nan 8.290 nan 0.000 0.578 389 A N 1.501 124.261 122.820 -0.100 0.000 1.908 389 A HA -0.004 4.313 4.320 -0.005 0.000 0.218 389 A C 1.293 178.721 177.584 -0.259 0.000 1.181 389 A CA 2.077 53.943 52.037 -0.286 0.000 0.627 389 A CB -0.575 18.029 19.000 -0.659 0.000 0.818 389 A HN 1.054 nan 8.150 nan 0.000 0.445 390 N N -4.093 114.471 118.700 -0.227 0.000 2.732 390 N HA 0.443 5.180 4.740 -0.005 0.000 0.259 390 N C -2.944 172.564 175.510 -0.003 0.000 1.402 390 N CA -1.881 51.072 53.050 -0.161 0.000 0.829 390 N CB 0.629 38.974 38.487 -0.237 0.000 1.495 390 N HN -0.260 nan 8.380 nan 0.000 0.511 391 P HA 0.002 nan 4.420 nan 0.000 0.218 391 P C 1.271 178.648 177.300 0.129 0.000 1.148 391 P CA 1.897 64.970 63.100 -0.044 0.000 0.822 391 P CB -0.082 31.495 31.700 -0.204 0.000 0.784 392 G N -1.550 107.396 108.800 0.244 0.000 2.432 392 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.219 392 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.219 392 G C 1.317 176.384 174.900 0.278 0.000 1.135 392 G CA 0.237 45.472 45.100 0.224 0.000 0.767 392 G HN 0.205 nan 8.290 nan 0.000 0.550 393 F N -0.065 119.994 119.950 0.182 0.000 2.134 393 F HA -0.073 4.450 4.527 -0.007 0.000 0.299 393 F C 2.716 178.720 175.800 0.340 0.000 1.097 393 F CA 1.320 59.496 58.000 0.294 0.000 1.264 393 F CB -0.118 39.087 39.000 0.341 0.000 1.001 393 F HN 0.130 nan 8.300 nan 0.000 0.479 394 H N 0.434 119.797 119.070 0.488 0.000 2.387 394 H HA -0.116 4.437 4.556 -0.005 0.000 0.299 394 H C 1.995 177.407 175.328 0.141 0.000 1.090 394 H CA 1.544 57.840 56.048 0.414 0.000 1.332 394 H CB 0.035 29.957 29.762 0.267 0.000 1.386 394 H HN 0.212 nan 8.280 nan 0.000 0.516 395 E N 0.050 120.411 120.200 0.268 0.000 2.274 395 E HA -0.017 4.329 4.350 -0.005 0.000 0.194 395 E C 2.185 178.818 176.600 0.055 0.000 0.996 395 E CA 0.656 57.144 56.400 0.146 0.000 0.840 395 E CB -0.113 29.675 29.700 0.147 0.000 0.772 395 E HN 0.446 nan 8.360 nan 0.000 0.491 396 A N 0.854 123.707 122.820 0.055 0.000 1.970 396 A HA -0.038 4.278 4.320 -0.005 0.000 0.216 396 A C 2.515 180.064 177.584 -0.059 0.000 1.170 396 A CA 0.658 52.703 52.037 0.014 0.000 0.645 396 A CB -0.409 18.651 19.000 0.100 0.000 0.816 396 A HN 0.100 nan 8.150 nan 0.000 0.447 397 V N 0.279 120.127 119.914 -0.111 0.000 2.220 397 V HA -0.280 3.837 4.120 -0.005 0.000 0.250 397 V C 2.817 178.785 176.094 -0.210 0.000 1.056 397 V CA 2.306 64.513 62.300 -0.155 0.000 1.016 397 V CB -1.594 30.081 31.823 -0.246 0.000 0.639 397 V HN 0.562 nan 8.190 nan 0.000 0.446 398 G N -0.830 107.813 108.800 -0.261 0.000 2.422 398 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.218 398 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.218 398 G C 1.170 175.950 174.900 -0.201 0.000 1.140 398 G CA 0.959 45.941 45.100 -0.196 0.000 0.775 398 G HN 0.530 nan 8.290 nan 0.000 0.545 399 D N 0.155 120.442 120.400 -0.189 0.000 2.178 399 D HA -0.066 4.571 4.640 -0.005 0.000 0.202 399 D C 2.724 178.771 176.300 -0.420 0.000 0.974 399 D CA 0.380 54.205 54.000 -0.292 0.000 0.841 399 D CB -0.183 40.424 40.800 -0.321 0.000 0.953 399 D HN 0.198 nan 8.370 nan 0.000 0.478 400 V N 0.924 120.659 119.914 -0.299 0.000 2.332 400 V HA -0.225 3.892 4.120 -0.005 0.000 0.248 400 V C 2.492 178.428 176.094 -0.264 0.000 1.055 400 V CA 1.197 63.376 62.300 -0.203 0.000 1.038 400 V CB -0.447 31.453 31.823 0.128 0.000 0.651 400 V HN 0.275 nan 8.190 nan 0.000 0.450 401 L N -0.502 120.469 121.223 -0.420 0.000 2.109 401 L HA -0.095 4.242 4.340 -0.005 0.000 0.207 401 L C 2.616 179.043 176.870 -0.739 0.000 1.086 401 L CA 1.523 55.945 54.840 -0.698 0.000 0.760 401 L CB -0.893 40.566 42.059 -1.000 0.000 0.910 401 L HN 0.309 nan 8.230 nan 0.000 0.437 402 S N 0.411 115.758 115.700 -0.589 0.000 2.383 402 S HA -0.123 4.343 4.470 -0.005 0.000 0.229 402 S C 2.045 176.242 174.600 -0.673 0.000 1.030 402 S CA 1.102 58.950 58.200 -0.588 0.000 1.002 402 S CB -0.254 62.664 63.200 -0.469 0.000 0.829 402 S HN 0.291 nan 8.310 nan 0.000 0.467 403 L N 0.633 121.443 121.223 -0.689 0.000 2.079 403 L HA -0.120 4.216 4.340 -0.005 0.000 0.210 403 L C 2.538 179.136 176.870 -0.454 0.000 1.081 403 L CA 0.957 55.333 54.840 -0.774 0.000 0.752 403 L CB -0.413 40.853 42.059 -1.321 0.000 0.896 403 L HN 0.272 nan 8.230 nan 0.000 0.433 404 S N -0.668 114.881 115.700 -0.252 0.000 2.362 404 S HA -0.132 4.335 4.470 -0.005 0.000 0.221 404 S C 1.937 176.470 174.600 -0.112 0.000 1.032 404 S CA 1.245 59.447 58.200 0.004 0.000 0.973 404 S CB -0.076 63.231 63.200 0.177 0.000 0.849 404 S HN 0.420 nan 8.310 nan 0.000 0.465 405 V N 1.697 121.398 119.914 -0.354 0.000 2.720 405 V HA -0.064 4.053 4.120 -0.005 0.000 0.256 405 V C 2.045 178.176 176.094 0.063 0.000 1.082 405 V CA 2.058 64.188 62.300 -0.283 0.000 1.101 405 V CB -1.086 30.456 31.823 -0.467 0.000 0.693 405 V HN 0.573 nan 8.190 nan 0.000 0.479 406 S N 1.369 117.061 115.700 -0.013 0.000 2.489 406 S HA -0.019 4.447 4.470 -0.005 0.000 0.228 406 S C 1.203 175.832 174.600 0.048 0.000 0.995 406 S CA 0.540 58.784 58.200 0.073 0.000 0.934 406 S CB -1.345 61.681 63.200 -0.290 0.000 0.771 406 S HN 0.986 nan 8.310 nan 0.000 0.522 407 T N 0.021 114.599 114.554 0.040 0.000 2.926 407 T HA 0.315 4.662 4.350 -0.005 0.000 0.307 407 T C -1.843 172.856 174.700 -0.001 0.000 1.059 407 T CA -1.320 60.805 62.100 0.042 0.000 1.122 407 T CB 0.651 69.573 68.868 0.091 0.000 0.972 407 T HN -0.056 nan 8.240 nan 0.000 0.545 408 P HA -0.130 nan 4.420 nan 0.000 0.216 408 P C 1.596 178.825 177.300 -0.119 0.000 1.150 408 P CA 1.137 64.073 63.100 -0.274 0.000 0.843 408 P CB 0.073 31.517 31.700 -0.426 0.000 0.787 409 K N -0.987 119.404 120.400 -0.015 0.000 2.001 409 K HA -0.281 4.036 4.320 -0.005 0.000 0.214 409 K C 2.212 178.831 176.600 0.031 0.000 1.050 409 K CA 1.922 58.225 56.287 0.027 0.000 0.934 409 K CB -0.623 31.919 32.500 0.069 0.000 0.718 409 K HN 0.135 nan 8.250 nan 0.000 0.443 410 H N 0.053 119.122 119.070 -0.002 0.000 2.357 410 H HA 0.004 4.556 4.556 -0.006 0.000 0.301 410 H C 1.923 177.230 175.328 -0.034 0.000 1.082 410 H CA 1.852 57.898 56.048 -0.003 0.000 1.342 410 H CB -0.032 29.773 29.762 0.073 0.000 1.389 410 H HN 0.156 nan 8.280 nan 0.000 0.511 411 L N 0.110 121.340 121.223 0.012 0.000 2.201 411 L HA -0.117 4.220 4.340 -0.005 0.000 0.212 411 L C 2.289 179.093 176.870 -0.111 0.000 1.105 411 L CA 1.271 56.082 54.840 -0.048 0.000 0.775 411 L CB -0.275 41.762 42.059 -0.037 0.000 0.913 411 L HN 0.432 nan 8.230 nan 0.000 0.440 412 E N 0.153 120.285 120.200 -0.114 0.000 2.072 412 E HA -0.201 4.146 4.350 -0.005 0.000 0.191 412 E C 2.140 178.672 176.600 -0.113 0.000 0.985 412 E CA 0.886 57.232 56.400 -0.091 0.000 0.801 412 E CB 0.058 29.724 29.700 -0.057 0.000 0.750 412 E HN 0.427 nan 8.360 nan 0.000 0.452 413 K N 0.798 121.092 120.400 -0.176 0.000 2.063 413 K HA -0.145 4.172 4.320 -0.005 0.000 0.208 413 K C 2.160 178.620 176.600 -0.232 0.000 1.048 413 K CA 1.460 57.613 56.287 -0.223 0.000 0.928 413 K CB -0.283 32.012 32.500 -0.341 0.000 0.713 413 K HN 0.312 nan 8.250 nan 0.000 0.442 414 I N -2.774 117.632 120.570 -0.273 0.000 3.812 414 I HA 0.253 4.419 4.170 -0.005 0.000 0.320 414 I C 0.706 176.789 176.117 -0.057 0.000 1.276 414 I CA 0.265 61.466 61.300 -0.165 0.000 1.164 414 I CB -0.190 37.722 38.000 -0.147 0.000 1.009 414 I HN 0.192 nan 8.210 nan 0.000 0.431 415 G N 2.188 110.946 108.800 -0.070 0.000 2.179 415 G HA2 -0.275 3.681 3.960 -0.005 0.000 0.257 415 G HA3 -0.275 3.681 3.960 -0.005 0.000 0.257 415 G C 0.600 175.480 174.900 -0.034 0.000 1.010 415 G CA 0.664 45.742 45.100 -0.036 0.000 0.736 415 G HN 0.525 nan 8.290 nan 0.000 0.513 416 L N -1.505 119.684 121.223 -0.056 0.000 2.477 416 L HA 0.393 4.730 4.340 -0.005 0.000 0.220 416 L C 1.009 177.834 176.870 -0.075 0.000 1.106 416 L CA 0.197 54.984 54.840 -0.088 0.000 0.851 416 L CB 0.233 42.220 42.059 -0.120 0.000 0.994 416 L HN 0.287 nan 8.230 nan 0.000 0.462 417 L N 0.837 122.021 121.223 -0.064 0.000 2.343 417 L HA 0.398 4.734 4.340 -0.005 0.000 0.278 417 L C -0.664 176.201 176.870 -0.007 0.000 0.996 417 L CA -0.152 54.657 54.840 -0.053 0.000 0.831 417 L CB 1.087 43.068 42.059 -0.129 0.000 1.232 417 L HN -0.100 nan 8.230 nan 0.000 0.413 418 K N 4.063 124.480 120.400 0.029 0.000 2.203 418 K HA 0.452 4.769 4.320 -0.005 0.000 0.251 418 K C -0.741 175.908 176.600 0.082 0.000 0.944 418 K CA -0.808 55.505 56.287 0.043 0.000 0.829 418 K CB 1.427 33.940 32.500 0.022 0.000 1.125 418 K HN 0.596 nan 8.250 nan 0.000 0.430 419 D N 1.304 121.748 120.400 0.074 0.000 2.708 419 D HA -0.251 4.386 4.640 -0.005 0.000 0.236 419 D C -0.991 175.366 176.300 0.096 0.000 1.146 419 D CA 1.081 55.120 54.000 0.065 0.000 0.662 419 D CB -1.160 39.662 40.800 0.036 0.000 1.059 419 D HN 0.459 nan 8.370 nan 0.000 0.428 420 Y N 0.229 120.526 120.300 -0.005 0.000 2.341 420 Y HA 0.388 4.935 4.550 -0.005 0.000 0.340 420 Y C -0.172 175.724 175.900 -0.008 0.000 0.997 420 Y CA -0.642 57.456 58.100 -0.004 0.000 1.149 420 Y CB 0.983 39.443 38.460 0.001 0.000 1.171 420 Y HN -0.131 nan 8.280 nan 0.000 0.494 421 V N 8.037 127.719 119.914 -0.386 0.000 2.350 421 V HA 0.338 4.455 4.120 -0.005 0.000 0.276 421 V C 0.190 175.988 176.094 -0.494 0.000 1.028 421 V CA -0.844 61.279 62.300 -0.295 0.000 0.860 421 V CB 1.197 32.900 31.823 -0.200 0.000 0.990 421 V HN 0.703 nan 8.190 nan 0.000 0.453 422 R N 3.711 124.079 120.500 -0.220 0.000 3.657 422 R HA 0.190 4.526 4.340 -0.005 0.000 0.220 422 R C -0.212 176.029 176.300 -0.097 0.000 1.548 422 R CA -0.435 55.601 56.100 -0.107 0.000 1.465 422 R CB -0.196 30.201 30.300 0.160 0.000 1.330 422 R HN 0.947 nan 8.270 nan 0.000 0.707 423 D N -0.455 119.845 120.400 -0.167 0.000 2.478 423 D HA 0.038 4.675 4.640 -0.005 0.000 0.269 423 D C 0.432 176.645 176.300 -0.146 0.000 1.232 423 D CA -0.543 53.373 54.000 -0.141 0.000 1.059 423 D CB 0.586 41.288 40.800 -0.163 0.000 1.104 423 D HN -0.017 nan 8.370 nan 0.000 0.566 424 D N -0.857 119.451 120.400 -0.153 0.000 2.149 424 D HA -0.137 4.500 4.640 -0.005 0.000 0.198 424 D C 1.620 177.756 176.300 -0.274 0.000 0.990 424 D CA 1.224 55.127 54.000 -0.162 0.000 0.839 424 D CB -0.062 40.660 40.800 -0.130 0.000 0.948 424 D HN 0.550 nan 8.370 nan 0.000 0.460 425 E N 0.235 120.174 120.200 -0.436 0.000 2.072 425 E HA -0.022 4.325 4.350 -0.005 0.000 0.190 425 E C 2.114 178.517 176.600 -0.328 0.000 0.982 425 E CA 0.787 56.733 56.400 -0.758 0.000 0.803 425 E CB -0.035 28.976 29.700 -1.148 0.000 0.755 425 E HN 0.196 nan 8.360 nan 0.000 0.453 426 A N 1.787 124.470 122.820 -0.228 0.000 1.933 426 A HA -0.200 4.117 4.320 -0.005 0.000 0.218 426 A C 2.117 179.709 177.584 0.013 0.000 1.175 426 A CA 1.306 53.280 52.037 -0.105 0.000 0.628 426 A CB -0.433 18.411 19.000 -0.260 0.000 0.814 426 A HN 0.056 nan 8.150 nan 0.000 0.444 427 R N -0.364 120.118 120.500 -0.030 0.000 2.081 427 R HA -0.105 4.232 4.340 -0.005 0.000 0.235 427 R C 1.829 178.130 176.300 0.001 0.000 1.131 427 R CA 1.603 57.709 56.100 0.010 0.000 0.960 427 R CB -0.285 30.001 30.300 -0.022 0.000 0.856 427 R HN 0.446 nan 8.270 nan 0.000 0.436 428 I N 1.779 122.304 120.570 -0.076 0.000 2.226 428 I HA -0.253 3.913 4.170 -0.005 0.000 0.245 428 I C 1.779 177.882 176.117 -0.022 0.000 1.100 428 I CA 1.257 62.474 61.300 -0.139 0.000 1.374 428 I CB -1.480 36.251 38.000 -0.449 0.000 1.057 428 I HN 0.209 nan 8.210 nan 0.000 0.413 429 N N 0.911 119.640 118.700 0.048 0.000 2.069 429 N HA -0.252 4.485 4.740 -0.005 0.000 0.191 429 N C 1.857 177.489 175.510 0.203 0.000 1.031 429 N CA 1.424 54.553 53.050 0.132 0.000 0.852 429 N CB -0.422 38.153 38.487 0.147 0.000 1.018 429 N HN 0.393 nan 8.380 nan 0.000 0.423 430 Q N 0.662 120.569 119.800 0.179 0.000 2.079 430 Q HA 0.073 4.409 4.340 -0.005 0.000 0.200 430 Q C 2.051 178.175 176.000 0.206 0.000 0.974 430 Q CA 1.119 57.033 55.803 0.184 0.000 0.840 430 Q CB -0.442 28.393 28.738 0.161 0.000 0.898 430 Q HN 0.387 nan 8.270 nan 0.000 0.430 431 L N -0.555 120.785 121.223 0.196 0.000 2.042 431 L HA -0.146 4.191 4.340 -0.005 0.000 0.210 431 L C 2.207 179.305 176.870 0.381 0.000 1.076 431 L CA 1.393 56.398 54.840 0.274 0.000 0.749 431 L CB -0.457 41.724 42.059 0.203 0.000 0.893 431 L HN 0.293 nan 8.230 nan 0.000 0.432 432 F N -0.081 119.968 119.950 0.165 0.000 2.102 432 F HA -0.275 4.249 4.527 -0.005 0.000 0.298 432 F C 2.290 178.197 175.800 0.178 0.000 1.105 432 F CA 1.382 59.476 58.000 0.155 0.000 1.239 432 F CB -0.052 38.998 39.000 0.082 0.000 0.991 432 F HN -0.048 nan 8.300 nan 0.000 0.474 433 L N 0.175 121.584 121.223 0.311 0.000 2.013 433 L HA -0.227 4.109 4.340 -0.005 0.000 0.212 433 L C 2.230 179.183 176.870 0.138 0.000 1.073 433 L CA 2.545 57.514 54.840 0.215 0.000 0.753 433 L CB -1.345 40.845 42.059 0.219 0.000 0.890 433 L HN 0.170 nan 8.230 nan 0.000 0.432 434 T N -0.104 114.565 114.554 0.192 0.000 2.746 434 T HA -0.145 4.201 4.350 -0.005 0.000 0.267 434 T C 1.896 176.715 174.700 0.199 0.000 1.039 434 T CA 1.374 63.600 62.100 0.209 0.000 1.142 434 T CB -0.605 68.461 68.868 0.330 0.000 0.866 434 T HN 0.538 nan 8.240 nan 0.000 0.444 435 A N 1.190 124.100 122.820 0.151 0.000 1.972 435 A HA 0.067 4.384 4.320 -0.005 0.000 0.219 435 A C 2.248 179.663 177.584 -0.281 0.000 1.169 435 A CA 0.980 52.855 52.037 -0.270 0.000 0.635 435 A CB -0.830 17.905 19.000 -0.441 0.000 0.810 435 A HN 0.491 nan 8.150 nan 0.000 0.446 436 L N -0.713 120.366 121.223 -0.241 0.000 2.265 436 L HA -0.176 4.161 4.340 -0.005 0.000 0.215 436 L C 2.195 178.993 176.870 -0.119 0.000 1.117 436 L CA 1.595 56.321 54.840 -0.190 0.000 0.782 436 L CB -0.325 41.722 42.059 -0.021 0.000 0.914 436 L HN 0.477 nan 8.230 nan 0.000 0.441 437 D N -0.590 119.789 120.400 -0.035 0.000 2.414 437 D HA -0.094 4.542 4.640 -0.005 0.000 0.237 437 D C 2.117 178.500 176.300 0.138 0.000 0.975 437 D CA 0.878 54.898 54.000 0.032 0.000 0.917 437 D CB 0.321 41.136 40.800 0.024 0.000 1.061 437 D HN -0.130 nan 8.370 nan 0.000 0.480 438 K N 0.345 120.817 120.400 0.120 0.000 2.098 438 K HA 0.070 4.386 4.320 -0.005 0.000 0.203 438 K C 2.033 178.741 176.600 0.180 0.000 1.051 438 K CA 0.437 56.888 56.287 0.275 0.000 0.957 438 K CB 0.080 32.756 32.500 0.293 0.000 0.738 438 K HN 0.283 nan 8.250 nan 0.000 0.447 439 I N 0.708 121.194 120.570 -0.141 0.000 2.339 439 I HA -0.122 4.045 4.170 -0.005 0.000 0.245 439 I C 2.374 178.455 176.117 -0.060 0.000 1.096 439 I CA 0.664 61.862 61.300 -0.169 0.000 1.408 439 I CB -1.088 36.701 38.000 -0.352 0.000 1.092 439 I HN -0.220 nan 8.210 nan 0.000 0.423 440 V N 1.156 120.982 119.914 -0.146 0.000 2.380 440 V HA -0.312 3.805 4.120 -0.005 0.000 0.251 440 V C 2.422 178.387 176.094 -0.215 0.000 1.063 440 V CA 1.884 64.007 62.300 -0.294 0.000 1.055 440 V CB -0.852 30.440 31.823 -0.885 0.000 0.657 440 V HN 0.290 nan 8.190 nan 0.000 0.455 441 F N 0.044 119.858 119.950 -0.226 0.000 2.293 441 F HA -0.103 4.421 4.527 -0.005 0.000 0.300 441 F C 1.935 177.650 175.800 -0.142 0.000 1.086 441 F CA 1.292 59.173 58.000 -0.198 0.000 1.375 441 F CB -0.143 38.643 39.000 -0.356 0.000 1.045 441 F HN 0.059 nan 8.300 nan 0.000 0.516 442 L N 0.980 122.161 121.223 -0.071 0.000 1.994 442 L HA -0.167 4.169 4.340 -0.005 0.000 0.208 442 L C -0.273 176.499 176.870 -0.164 0.000 1.071 442 L CA 1.402 56.198 54.840 -0.074 0.000 0.745 442 L CB -2.443 39.694 42.059 0.129 0.000 0.892 442 L HN 0.085 nan 8.230 nan 0.000 0.431 443 P HA -0.226 nan 4.420 nan 0.000 0.218 443 P C 1.690 178.821 177.300 -0.282 0.000 1.149 443 P CA 1.420 64.419 63.100 -0.169 0.000 0.817 443 P CB -0.142 31.516 31.700 -0.070 0.000 0.785 444 F N 1.851 121.558 119.950 -0.404 0.000 2.069 444 F HA -0.187 4.337 4.527 -0.006 0.000 0.298 444 F C 2.337 177.796 175.800 -0.569 0.000 1.113 444 F CA 2.087 59.824 58.000 -0.439 0.000 1.214 444 F CB -1.009 37.742 39.000 -0.415 0.000 0.978 444 F HN -0.072 nan 8.300 nan 0.000 0.474 445 A N 0.170 122.547 122.820 -0.739 0.000 1.902 445 A HA -0.201 4.116 4.320 -0.005 0.000 0.217 445 A C 2.194 179.513 177.584 -0.442 0.000 1.181 445 A CA 1.547 53.218 52.037 -0.610 0.000 0.623 445 A CB -1.552 17.087 19.000 -0.601 0.000 0.818 445 A HN 0.504 nan 8.150 nan 0.000 0.443 446 F N 1.923 121.485 119.950 -0.647 0.000 2.126 446 F HA -0.172 4.352 4.527 -0.005 0.000 0.299 446 F C 2.892 178.203 175.800 -0.815 0.000 1.096 446 F CA 1.916 59.487 58.000 -0.716 0.000 1.255 446 F CB -1.088 37.370 39.000 -0.904 0.000 0.997 446 F HN 0.434 nan 8.300 nan 0.000 0.479 447 T N -2.433 111.708 114.554 -0.688 0.000 2.867 447 T HA -0.194 4.153 4.350 -0.005 0.000 0.268 447 T C 2.047 176.354 174.700 -0.654 0.000 1.057 447 T CA 1.177 62.828 62.100 -0.749 0.000 1.136 447 T CB -0.365 68.088 68.868 -0.691 0.000 0.874 447 T HN 0.056 nan 8.240 nan 0.000 0.466 448 M N 1.909 121.058 119.600 -0.751 0.000 2.080 448 M HA -0.062 4.415 4.480 -0.005 0.000 0.260 448 M C 1.669 177.728 176.300 -0.402 0.000 1.068 448 M CA 1.636 56.559 55.300 -0.628 0.000 1.109 448 M CB -1.221 30.802 32.600 -0.962 0.000 1.342 448 M HN 0.277 nan 8.290 nan 0.000 0.405 449 D N -0.392 119.700 120.400 -0.513 0.000 2.240 449 D HA -0.011 4.626 4.640 -0.005 0.000 0.206 449 D C 2.022 177.612 176.300 -1.183 0.000 0.963 449 D CA 0.678 54.217 54.000 -0.769 0.000 0.863 449 D CB -0.018 40.288 40.800 -0.824 0.000 0.973 449 D HN 0.285 nan 8.370 nan 0.000 0.501 450 K N -0.176 119.654 120.400 -0.950 0.000 2.074 450 K HA -0.207 4.110 4.320 -0.005 0.000 0.209 450 K C 2.015 178.428 176.600 -0.311 0.000 1.048 450 K CA 1.002 56.924 56.287 -0.609 0.000 0.926 450 K CB -0.230 31.869 32.500 -0.670 0.000 0.713 450 K HN 0.192 nan 8.250 nan 0.000 0.444 451 Y N 1.732 121.774 120.300 -0.430 0.000 2.089 451 Y HA -0.193 4.353 4.550 -0.006 0.000 0.282 451 Y C 2.162 177.876 175.900 -0.310 0.000 1.139 451 Y CA 1.498 59.418 58.100 -0.300 0.000 1.123 451 Y CB -0.115 38.205 38.460 -0.234 0.000 0.980 451 Y HN -0.096 nan 8.280 nan 0.000 0.493 452 R N -1.112 119.114 120.500 -0.457 0.000 2.096 452 R HA -0.212 4.125 4.340 -0.005 0.000 0.235 452 R C 2.089 177.891 176.300 -0.831 0.000 1.127 452 R CA 1.565 57.214 56.100 -0.752 0.000 0.968 452 R CB -0.647 29.371 30.300 -0.470 0.000 0.861 452 R HN 0.417 nan 8.270 nan 0.000 0.440 453 W N 0.906 121.946 121.300 -0.433 0.000 2.338 453 W HA -0.172 4.484 4.660 -0.006 0.000 0.304 453 W C 2.642 179.028 176.519 -0.221 0.000 1.212 453 W CA 1.444 58.664 57.345 -0.209 0.000 1.264 453 W CB -1.381 28.059 29.460 -0.034 0.000 1.142 453 W HN 0.192 nan 8.180 nan 0.000 0.512 454 S N -0.045 115.630 115.700 -0.042 0.000 2.402 454 S HA -0.142 4.324 4.470 -0.005 0.000 0.229 454 S C 1.950 176.446 174.600 -0.174 0.000 1.021 454 S CA 1.302 59.455 58.200 -0.079 0.000 0.974 454 S CB -0.881 62.268 63.200 -0.085 0.000 0.800 454 S HN 0.249 nan 8.310 nan 0.000 0.484 455 L N -0.456 120.510 121.223 -0.428 0.000 2.044 455 L HA 0.080 4.416 4.340 -0.005 0.000 0.205 455 L C 2.607 179.403 176.870 -0.124 0.000 1.075 455 L CA 1.372 55.933 54.840 -0.466 0.000 0.747 455 L CB -0.796 40.684 42.059 -0.964 0.000 0.903 455 L HN 0.290 nan 8.230 nan 0.000 0.435 456 F N 0.537 120.358 119.950 -0.216 0.000 2.126 456 F HA -0.229 4.295 4.527 -0.006 0.000 0.299 456 F C 2.602 178.338 175.800 -0.108 0.000 1.096 456 F CA 0.779 58.664 58.000 -0.191 0.000 1.255 456 F CB -0.193 38.671 39.000 -0.226 0.000 0.997 456 F HN 0.014 nan 8.300 nan 0.000 0.479 457 R N 0.224 120.800 120.500 0.127 0.000 2.323 457 R HA 0.058 4.395 4.340 -0.005 0.000 0.198 457 R C 1.272 177.612 176.300 0.066 0.000 0.988 457 R CA 0.559 56.702 56.100 0.072 0.000 1.041 457 R CB -0.359 29.976 30.300 0.058 0.000 0.926 457 R HN 0.374 nan 8.270 nan 0.000 0.476 458 G N 1.413 110.262 108.800 0.081 0.000 2.198 458 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.257 458 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.257 458 G C 0.313 175.275 174.900 0.103 0.000 1.042 458 G CA 0.420 45.586 45.100 0.109 0.000 0.791 458 G HN 0.469 nan 8.290 nan 0.000 0.502 459 E N -1.368 118.883 120.200 0.085 0.000 2.447 459 E HA 0.241 4.588 4.350 -0.005 0.000 0.195 459 E C 0.635 177.302 176.600 0.112 0.000 1.028 459 E CA 0.529 56.977 56.400 0.081 0.000 0.876 459 E CB 0.687 30.423 29.700 0.059 0.000 0.885 459 E HN 0.398 nan 8.360 nan 0.000 0.500 460 V N 2.398 122.407 119.914 0.159 0.000 2.487 460 V HA 0.132 4.248 4.120 -0.005 0.000 0.298 460 V C -0.359 175.975 176.094 0.399 0.000 1.028 460 V CA -1.079 61.372 62.300 0.252 0.000 0.860 460 V CB 1.811 33.774 31.823 0.232 0.000 0.991 460 V HN 0.013 nan 8.190 nan 0.000 0.427 461 D N 3.374 123.938 120.400 0.274 0.000 2.414 461 D HA 0.108 4.745 4.640 -0.005 0.000 0.242 461 D C 1.038 177.387 176.300 0.081 0.000 1.129 461 D CA -0.065 54.035 54.000 0.167 0.000 0.885 461 D CB 1.532 42.385 40.800 0.089 0.000 1.198 461 D HN 0.458 nan 8.370 nan 0.000 0.437 462 K N 1.282 121.513 120.400 -0.282 0.000 2.160 462 K HA -0.193 4.124 4.320 -0.005 0.000 0.206 462 K C 1.725 178.073 176.600 -0.421 0.000 1.047 462 K CA 1.271 57.023 56.287 -0.892 0.000 0.930 462 K CB -0.018 32.008 32.500 -0.789 0.000 0.720 462 K HN 0.419 nan 8.250 nan 0.000 0.450 463 A N 1.115 123.847 122.820 -0.148 0.000 2.172 463 A HA -0.123 4.193 4.320 -0.005 0.000 0.216 463 A C 1.042 178.682 177.584 0.094 0.000 1.154 463 A CA 1.304 53.325 52.037 -0.025 0.000 0.701 463 A CB -0.307 18.691 19.000 -0.003 0.000 0.789 463 A HN 0.409 nan 8.150 nan 0.000 0.465 464 N N -2.345 116.465 118.700 0.182 0.000 2.200 464 N HA 0.068 4.804 4.740 -0.005 0.000 0.224 464 N C 0.558 176.351 175.510 0.471 0.000 1.179 464 N CA -0.378 52.844 53.050 0.286 0.000 0.877 464 N CB 0.180 38.813 38.487 0.243 0.000 1.072 464 N HN 0.495 nan 8.380 nan 0.000 0.519 465 W N 1.632 123.081 121.300 0.249 0.000 2.358 465 W HA -0.024 4.632 4.660 -0.005 0.000 0.303 465 W C 2.170 178.977 176.519 0.481 0.000 1.208 465 W CA 0.786 58.364 57.345 0.388 0.000 1.274 465 W CB -0.806 28.904 29.460 0.417 0.000 1.138 465 W HN 0.198 nan 8.180 nan 0.000 0.515 466 N N -0.890 118.193 118.700 0.639 0.000 2.135 466 N HA -0.127 4.610 4.740 -0.005 0.000 0.186 466 N C 1.623 177.360 175.510 0.378 0.000 1.027 466 N CA 1.913 55.228 53.050 0.443 0.000 0.849 466 N CB -0.765 37.995 38.487 0.455 0.000 1.002 466 N HN -0.070 nan 8.380 nan 0.000 0.425 467 c N 0.041 118.870 118.600 0.383 0.000 2.448 467 c HA 0.233 4.800 4.570 -0.005 0.000 0.280 467 c C 2.676 176.942 174.090 0.293 0.000 1.398 467 c CA 0.372 56.913 56.329 0.353 0.000 1.774 467 c CB -1.467 41.209 42.510 0.278 0.000 1.888 467 c HN 0.537 nan 8.230 nan 0.000 0.519 468 A N 0.070 123.077 122.820 0.312 0.000 1.933 468 A HA -0.201 4.116 4.320 -0.005 0.000 0.218 468 A C 1.863 179.563 177.584 0.194 0.000 1.175 468 A CA 1.579 53.789 52.037 0.289 0.000 0.628 468 A CB -0.732 18.489 19.000 0.367 0.000 0.814 468 A HN 0.549 nan 8.150 nan 0.000 0.444 469 F N -0.966 118.878 119.950 -0.178 0.000 2.084 469 F HA -0.135 4.389 4.527 -0.006 0.000 0.296 469 F C 1.999 177.498 175.800 -0.501 0.000 1.111 469 F CA 1.700 59.203 58.000 -0.828 0.000 1.224 469 F CB -0.534 37.615 39.000 -1.418 0.000 0.991 469 F HN 0.384 nan 8.300 nan 0.000 0.471 470 W N 0.900 122.180 121.300 -0.033 0.000 2.425 470 W HA -0.065 4.592 4.660 -0.005 0.000 0.277 470 W C 2.390 178.872 176.519 -0.061 0.000 1.231 470 W CA 0.734 58.039 57.345 -0.068 0.000 1.248 470 W CB -0.305 29.203 29.460 0.079 0.000 1.117 470 W HN -0.095 nan 8.180 nan 0.000 0.568 471 K N 0.393 120.903 120.400 0.183 0.000 2.063 471 K HA -0.180 4.137 4.320 -0.005 0.000 0.208 471 K C 1.846 178.510 176.600 0.106 0.000 1.048 471 K CA 1.388 57.764 56.287 0.149 0.000 0.928 471 K CB -0.627 31.961 32.500 0.147 0.000 0.713 471 K HN 0.226 nan 8.250 nan 0.000 0.442 472 L N 0.655 121.880 121.223 0.004 0.000 2.017 472 L HA -0.180 4.157 4.340 -0.005 0.000 0.208 472 L C 2.483 179.356 176.870 0.006 0.000 1.073 472 L CA 0.999 55.840 54.840 0.003 0.000 0.745 472 L CB -0.325 41.616 42.059 -0.197 0.000 0.894 472 L HN 0.127 nan 8.230 nan 0.000 0.432 473 R N -0.065 120.331 120.500 -0.174 0.000 2.096 473 R HA -0.182 4.155 4.340 -0.005 0.000 0.235 473 R C 1.805 178.171 176.300 0.109 0.000 1.127 473 R CA 1.517 57.575 56.100 -0.071 0.000 0.968 473 R CB -0.924 29.331 30.300 -0.074 0.000 0.861 473 R HN 0.437 nan 8.270 nan 0.000 0.440 474 D N 0.895 121.384 120.400 0.149 0.000 2.077 474 D HA -0.188 4.449 4.640 -0.005 0.000 0.196 474 D C 1.762 178.270 176.300 0.347 0.000 0.986 474 D CA 1.434 55.538 54.000 0.172 0.000 0.829 474 D CB -0.136 40.783 40.800 0.198 0.000 0.983 474 D HN 0.315 nan 8.370 nan 0.000 0.453 475 E N -1.662 118.727 120.200 0.315 0.000 2.097 475 E HA -0.232 4.115 4.350 -0.005 0.000 0.196 475 E C 2.042 178.786 176.600 0.240 0.000 1.000 475 E CA 1.189 57.739 56.400 0.251 0.000 0.804 475 E CB -0.152 29.582 29.700 0.057 0.000 0.740 475 E HN 0.451 nan 8.360 nan 0.000 0.454 476 Y N -0.795 119.656 120.300 0.253 0.000 2.343 476 Y HA 0.116 4.663 4.550 -0.005 0.000 0.294 476 Y C 2.536 178.626 175.900 0.317 0.000 1.122 476 Y CA 0.900 59.152 58.100 0.254 0.000 1.173 476 Y CB 0.412 38.868 38.460 -0.006 0.000 1.077 476 Y HN -0.023 nan 8.280 nan 0.000 0.542 477 S N -1.517 114.373 115.700 0.316 0.000 2.502 477 S HA 0.196 4.663 4.470 -0.005 0.000 0.215 477 S C 1.410 176.005 174.600 -0.008 0.000 1.009 477 S CA 0.577 58.934 58.200 0.263 0.000 0.908 477 S CB 0.222 63.571 63.200 0.247 0.000 0.801 477 S HN 0.614 nan 8.310 nan 0.000 0.505 478 G N 2.284 110.746 108.800 -0.564 0.000 2.246 478 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.273 478 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.273 478 G C -0.113 174.475 174.900 -0.520 0.000 1.055 478 G CA 0.688 44.773 45.100 -1.692 0.000 0.851 478 G HN 0.604 nan 8.290 nan 0.000 0.500 479 I N -3.305 117.166 120.570 -0.165 0.000 2.957 479 I HA 1.042 5.209 4.170 -0.005 0.000 0.310 479 I C -0.357 175.743 176.117 -0.028 0.000 1.063 479 I CA -1.691 59.590 61.300 -0.032 0.000 1.033 479 I CB 2.149 40.227 38.000 0.130 0.000 1.230 479 I HN 0.432 nan 8.210 nan 0.000 0.447 480 E N 1.743 121.880 120.200 -0.105 0.000 2.412 480 E HA 0.629 4.975 4.350 -0.005 0.000 0.279 480 E C -3.128 173.180 176.600 -0.487 0.000 0.984 480 E CA -2.203 54.055 56.400 -0.237 0.000 0.788 480 E CB 1.674 31.241 29.700 -0.220 0.000 1.277 480 E HN 0.318 nan 8.360 nan 0.000 0.455 481 P HA 0.044 nan 4.420 nan 0.000 0.268 481 P C -1.892 174.798 177.300 -1.016 0.000 1.208 481 P CA -0.979 61.374 63.100 -1.245 0.000 0.777 481 P CB 0.204 31.077 31.700 -1.378 0.000 0.875 482 P HA -0.062 nan 4.420 nan 0.000 0.225 482 P C 0.186 177.053 177.300 -0.721 0.000 1.156 482 P CA 1.192 63.657 63.100 -1.059 0.000 0.787 482 P CB 0.172 30.917 31.700 -1.592 0.000 0.802 483 V N -4.135 115.353 119.914 -0.710 0.000 3.074 483 V HA 0.487 4.604 4.120 -0.005 0.000 0.314 483 V C -0.044 175.836 176.094 -0.357 0.000 1.117 483 V CA -1.429 60.624 62.300 -0.412 0.000 1.014 483 V CB 1.871 33.530 31.823 -0.273 0.000 1.057 483 V HN -0.330 nan 8.190 nan 0.000 0.438 484 V N 3.827 123.611 119.914 -0.217 0.000 2.485 484 V HA 0.351 4.468 4.120 -0.005 0.000 0.287 484 V C 0.555 176.586 176.094 -0.105 0.000 1.022 484 V CA 0.001 62.206 62.300 -0.157 0.000 1.067 484 V CB -0.204 31.565 31.823 -0.090 0.000 0.967 484 V HN 0.895 nan 8.190 nan 0.000 0.479 485 R N 3.347 123.785 120.500 -0.103 0.000 2.782 485 R HA 0.824 5.161 4.340 -0.005 0.000 0.258 485 R C 0.054 176.400 176.300 0.077 0.000 1.055 485 R CA -0.465 55.643 56.100 0.014 0.000 1.065 485 R CB 1.883 32.203 30.300 0.033 0.000 1.172 485 R HN 0.861 nan 8.270 nan 0.000 0.510 486 S N -1.166 114.620 115.700 0.143 0.000 2.790 486 S HA 0.286 4.752 4.470 -0.005 0.000 0.292 486 S C 0.172 174.894 174.600 0.203 0.000 1.197 486 S CA -0.800 57.491 58.200 0.152 0.000 0.851 486 S CB 1.319 64.581 63.200 0.103 0.000 1.217 486 S HN 0.399 nan 8.310 nan 0.000 0.526 487 E N 0.606 120.914 120.200 0.181 0.000 2.516 487 E HA 0.053 4.400 4.350 -0.005 0.000 0.199 487 E C 1.034 177.732 176.600 0.162 0.000 1.069 487 E CA 0.461 56.978 56.400 0.195 0.000 0.876 487 E CB -0.264 29.529 29.700 0.155 0.000 0.843 487 E HN 0.539 nan 8.360 nan 0.000 0.530 488 K N 0.562 121.045 120.400 0.138 0.000 2.296 488 K HA -0.011 4.306 4.320 -0.005 0.000 0.200 488 K C 0.481 177.169 176.600 0.147 0.000 1.048 488 K CA 0.510 56.865 56.287 0.114 0.000 0.966 488 K CB 0.331 32.883 32.500 0.086 0.000 0.754 488 K HN 0.088 nan 8.250 nan 0.000 0.466 489 D N -0.514 120.005 120.400 0.198 0.000 2.332 489 D HA 0.181 4.817 4.640 -0.005 0.000 0.252 489 D C -1.018 175.493 176.300 0.351 0.000 1.050 489 D CA -0.299 53.844 54.000 0.239 0.000 0.970 489 D CB 1.303 42.251 40.800 0.247 0.000 1.141 489 D HN -0.172 nan 8.370 nan 0.000 0.485 490 F N 1.196 121.209 119.950 0.104 0.000 2.902 490 F HA 0.179 4.703 4.527 -0.005 0.000 0.368 490 F C 0.037 175.803 175.800 -0.057 0.000 1.202 490 F CA -0.696 57.330 58.000 0.042 0.000 1.109 490 F CB 1.064 40.086 39.000 0.037 0.000 1.418 490 F HN 0.062 nan 8.300 nan 0.000 0.527 491 D N 3.029 123.168 120.400 -0.436 0.000 2.355 491 D HA 0.106 4.743 4.640 -0.005 0.000 0.206 491 D C 2.113 177.891 176.300 -0.870 0.000 1.010 491 D CA 0.885 54.703 54.000 -0.302 0.000 0.875 491 D CB 0.428 41.435 40.800 0.345 0.000 0.966 491 D HN 0.564 nan 8.370 nan 0.000 0.512 492 A N 2.193 124.010 122.820 -1.671 0.000 1.892 492 A HA -0.157 4.160 4.320 -0.005 0.000 0.218 492 A C -0.373 176.654 177.584 -0.929 0.000 1.188 492 A CA 1.465 52.431 52.037 -1.785 0.000 0.631 492 A CB -1.562 16.411 19.000 -1.712 0.000 0.822 492 A HN 0.166 nan 8.150 nan 0.000 0.447 493 P HA 0.052 nan 4.420 nan 0.000 0.234 493 P C 1.186 178.374 177.300 -0.186 0.000 1.167 493 P CA 1.080 63.946 63.100 -0.390 0.000 0.763 493 P CB -0.077 31.477 31.700 -0.244 0.000 0.835 494 A N -0.820 121.839 122.820 -0.269 0.000 2.178 494 A HA -0.128 4.189 4.320 -0.005 0.000 0.218 494 A C 1.343 179.190 177.584 0.438 0.000 1.157 494 A CA 0.974 52.923 52.037 -0.146 0.000 0.689 494 A CB -0.850 17.695 19.000 -0.758 0.000 0.787 494 A HN 0.073 nan 8.150 nan 0.000 0.465 495 K N -1.000 119.457 120.400 0.095 0.000 2.211 495 K HA 0.343 4.660 4.320 -0.005 0.000 0.275 495 K C 0.436 176.866 176.600 -0.283 0.000 1.024 495 K CA -0.753 55.427 56.287 -0.179 0.000 0.887 495 K CB 0.254 32.568 32.500 -0.311 0.000 1.084 495 K HN 0.228 nan 8.250 nan 0.000 0.463 496 Y N 4.226 124.146 120.300 -0.634 0.000 2.030 496 Y HA -0.364 4.182 4.550 -0.006 0.000 0.272 496 Y C 1.128 176.596 175.900 -0.721 0.000 1.185 496 Y CA 2.515 59.898 58.100 -1.195 0.000 1.120 496 Y CB -0.330 37.404 38.460 -1.210 0.000 0.955 496 Y HN 0.945 nan 8.280 nan 0.000 0.495 497 H N -0.513 118.262 119.070 -0.493 0.000 2.457 497 H HA -0.139 4.414 4.556 -0.006 0.000 0.297 497 H C 2.265 177.437 175.328 -0.260 0.000 1.092 497 H CA 1.990 57.845 56.048 -0.321 0.000 1.309 497 H CB -0.384 29.429 29.762 0.085 0.000 1.382 497 H HN 0.427 nan 8.280 nan 0.000 0.535 498 I N -0.707 119.779 120.570 -0.140 0.000 2.333 498 I HA -0.196 3.971 4.170 -0.005 0.000 0.246 498 I C 2.115 178.197 176.117 -0.059 0.000 1.106 498 I CA 0.905 62.183 61.300 -0.036 0.000 1.411 498 I CB -0.135 37.786 38.000 -0.132 0.000 1.082 498 I HN 0.137 nan 8.210 nan 0.000 0.420 499 S N 0.726 116.281 115.700 -0.242 0.000 2.383 499 S HA -0.066 4.401 4.470 -0.005 0.000 0.227 499 S C 1.926 176.322 174.600 -0.340 0.000 1.026 499 S CA 1.328 59.394 58.200 -0.223 0.000 0.981 499 S CB -0.155 62.919 63.200 -0.210 0.000 0.818 499 S HN 0.519 nan 8.310 nan 0.000 0.472 500 A N 0.587 123.063 122.820 -0.573 0.000 2.275 500 A HA 0.268 4.585 4.320 -0.005 0.000 0.212 500 A C 0.579 177.991 177.584 -0.285 0.000 1.201 500 A CA 0.425 52.125 52.037 -0.562 0.000 0.843 500 A CB -0.265 18.045 19.000 -1.149 0.000 0.873 500 A HN 0.382 nan 8.150 nan 0.000 0.492 501 D N -0.971 119.324 120.400 -0.175 0.000 2.697 501 D HA -0.134 4.503 4.640 -0.005 0.000 0.238 501 D C -0.808 175.598 176.300 0.176 0.000 1.152 501 D CA 0.850 54.908 54.000 0.097 0.000 0.666 501 D CB -1.645 39.222 40.800 0.111 0.000 1.037 501 D HN 0.197 nan 8.370 nan 0.000 0.423 502 V N 1.756 121.724 119.914 0.091 0.000 2.357 502 V HA 0.265 4.382 4.120 -0.005 0.000 0.284 502 V C 0.723 176.805 176.094 -0.021 0.000 1.018 502 V CA -0.965 61.370 62.300 0.058 0.000 0.841 502 V CB 1.662 33.554 31.823 0.114 0.000 0.991 502 V HN 0.290 nan 8.190 nan 0.000 0.437 503 E N 2.822 122.744 120.200 -0.464 0.000 2.502 503 E HA -0.116 4.231 4.350 -0.005 0.000 0.261 503 E C -0.553 175.865 176.600 -0.303 0.000 0.974 503 E CA 0.504 56.304 56.400 -0.999 0.000 0.936 503 E CB 0.609 29.450 29.700 -1.431 0.000 0.926 503 E HN 0.701 nan 8.360 nan 0.000 0.459 504 Y N 3.966 124.084 120.300 -0.302 0.000 2.462 504 Y HA 0.022 4.569 4.550 -0.005 0.000 0.253 504 Y C 1.839 177.716 175.900 -0.039 0.000 1.095 504 Y CA 0.045 58.105 58.100 -0.067 0.000 1.283 504 Y CB 0.354 38.718 38.460 -0.161 0.000 1.138 504 Y HN 0.595 nan 8.280 nan 0.000 0.522 505 L N 1.440 122.662 121.223 -0.002 0.000 2.187 505 L HA -0.223 4.113 4.340 -0.005 0.000 0.213 505 L C 2.559 179.422 176.870 -0.011 0.000 1.100 505 L CA 1.756 56.606 54.840 0.017 0.000 0.765 505 L CB -0.497 41.675 42.059 0.188 0.000 0.904 505 L HN 0.253 nan 8.230 nan 0.000 0.437 506 R N -1.850 118.620 120.500 -0.050 0.000 2.133 506 R HA -0.270 4.067 4.340 -0.005 0.000 0.247 506 R C 1.934 178.112 176.300 -0.203 0.000 1.151 506 R CA 2.310 58.337 56.100 -0.122 0.000 0.971 506 R CB -1.320 28.775 30.300 -0.343 0.000 0.866 506 R HN 0.364 nan 8.270 nan 0.000 0.447 507 Y N 0.705 120.939 120.300 -0.111 0.000 2.286 507 Y HA -0.030 4.516 4.550 -0.005 0.000 0.293 507 Y C 2.256 178.225 175.900 0.114 0.000 1.124 507 Y CA 0.619 58.714 58.100 -0.009 0.000 1.178 507 Y CB -0.355 37.976 38.460 -0.214 0.000 1.010 507 Y HN 0.029 nan 8.280 nan 0.000 0.536 508 L N -0.422 120.852 121.223 0.085 0.000 2.017 508 L HA -0.140 4.196 4.340 -0.005 0.000 0.208 508 L C 2.142 179.014 176.870 0.003 0.000 1.073 508 L CA 1.468 56.289 54.840 -0.031 0.000 0.745 508 L CB -0.923 40.968 42.059 -0.280 0.000 0.894 508 L HN 0.038 nan 8.230 nan 0.000 0.432 509 V N -0.753 119.139 119.914 -0.036 0.000 2.255 509 V HA -0.326 3.791 4.120 -0.005 0.000 0.247 509 V C 2.793 178.899 176.094 0.019 0.000 1.051 509 V CA 1.987 64.264 62.300 -0.039 0.000 1.018 509 V CB -1.149 30.687 31.823 0.021 0.000 0.641 509 V HN 0.687 nan 8.190 nan 0.000 0.445 510 S N -0.458 115.308 115.700 0.110 0.000 2.359 510 S HA -0.234 4.233 4.470 -0.005 0.000 0.223 510 S C 1.897 176.606 174.600 0.181 0.000 1.039 510 S CA 1.977 60.261 58.200 0.139 0.000 1.042 510 S CB -0.551 62.797 63.200 0.246 0.000 0.915 510 S HN 0.547 nan 8.310 nan 0.000 0.439 511 F N 0.824 120.813 119.950 0.065 0.000 2.333 511 F HA 0.026 4.550 4.527 -0.005 0.000 0.300 511 F C 1.955 177.857 175.800 0.169 0.000 1.083 511 F CA 0.743 58.816 58.000 0.121 0.000 1.395 511 F CB -0.133 38.997 39.000 0.216 0.000 1.056 511 F HN 0.267 nan 8.300 nan 0.000 0.529 512 I N 0.190 120.881 120.570 0.202 0.000 2.270 512 I HA -0.218 3.949 4.170 -0.005 0.000 0.239 512 I C 2.311 178.418 176.117 -0.017 0.000 1.080 512 I CA 1.076 62.425 61.300 0.082 0.000 1.383 512 I CB -0.441 37.544 38.000 -0.026 0.000 1.097 512 I HN 0.054 nan 8.210 nan 0.000 0.420 513 I N -0.021 120.435 120.570 -0.190 0.000 2.676 513 I HA -0.230 3.936 4.170 -0.005 0.000 0.259 513 I C 2.492 178.212 176.117 -0.662 0.000 1.194 513 I CA 1.080 62.069 61.300 -0.518 0.000 1.473 513 I CB -0.794 36.744 38.000 -0.770 0.000 1.096 513 I HN 0.356 nan 8.210 nan 0.000 0.443 514 Q N 1.203 120.797 119.800 -0.343 0.000 2.234 514 Q HA -0.186 4.150 4.340 -0.005 0.000 0.206 514 Q C 1.704 177.495 176.000 -0.348 0.000 0.980 514 Q CA 1.757 57.378 55.803 -0.303 0.000 0.869 514 Q CB -0.717 27.791 28.738 -0.385 0.000 0.912 514 Q HN 0.566 nan 8.270 nan 0.000 0.436 515 F N 1.295 121.110 119.950 -0.224 0.000 2.335 515 F HA 0.028 4.552 4.527 -0.004 0.000 0.296 515 F C 2.449 178.207 175.800 -0.070 0.000 1.091 515 F CA 0.914 58.842 58.000 -0.121 0.000 1.399 515 F CB 0.033 38.954 39.000 -0.132 0.000 1.067 515 F HN 0.059 nan 8.300 nan 0.000 0.520 516 Q N -0.235 119.533 119.800 -0.054 0.000 2.050 516 Q HA -0.175 4.162 4.340 -0.005 0.000 0.202 516 Q C 2.185 178.144 176.000 -0.068 0.000 0.980 516 Q CA 1.852 57.584 55.803 -0.118 0.000 0.840 516 Q CB -0.500 28.056 28.738 -0.303 0.000 0.898 516 Q HN 0.425 nan 8.270 nan 0.000 0.424 517 F N -0.847 118.982 119.950 -0.202 0.000 2.102 517 F HA -0.272 4.253 4.527 -0.003 0.000 0.298 517 F C 2.344 178.135 175.800 -0.016 0.000 1.105 517 F CA 0.747 58.511 58.000 -0.393 0.000 1.239 517 F CB -0.310 38.272 39.000 -0.698 0.000 0.991 517 F HN 0.125 nan 8.300 nan 0.000 0.474 518 Y N 1.492 121.820 120.300 0.046 0.000 2.145 518 Y HA -0.251 4.295 4.550 -0.006 0.000 0.286 518 Y C 2.511 178.461 175.900 0.082 0.000 1.145 518 Y CA 1.816 59.928 58.100 0.019 0.000 1.148 518 Y CB -0.536 37.810 38.460 -0.189 0.000 0.981 518 Y HN -0.090 nan 8.280 nan 0.000 0.507 519 K N -0.610 119.855 120.400 0.107 0.000 2.032 519 K HA -0.170 4.147 4.320 -0.005 0.000 0.209 519 K C 2.222 178.886 176.600 0.107 0.000 1.048 519 K CA 1.832 58.147 56.287 0.047 0.000 0.927 519 K CB -0.278 32.300 32.500 0.131 0.000 0.712 519 K HN 0.295 nan 8.250 nan 0.000 0.441 520 S N 0.465 116.274 115.700 0.183 0.000 2.368 520 S HA -0.096 4.371 4.470 -0.005 0.000 0.224 520 S C 2.024 176.700 174.600 0.126 0.000 1.029 520 S CA 1.072 59.391 58.200 0.200 0.000 0.988 520 S CB -0.241 63.162 63.200 0.339 0.000 0.838 520 S HN 0.531 nan 8.310 nan 0.000 0.462 521 A N 0.591 123.522 122.820 0.185 0.000 1.908 521 A HA -0.175 4.142 4.320 -0.005 0.000 0.218 521 A C 2.391 179.979 177.584 0.006 0.000 1.181 521 A CA 1.682 53.783 52.037 0.107 0.000 0.627 521 A CB -1.279 17.881 19.000 0.268 0.000 0.818 521 A HN 0.629 nan 8.150 nan 0.000 0.445 522 c N -0.904 117.643 118.600 -0.087 0.000 2.446 522 c HA -0.013 4.554 4.570 -0.005 0.000 0.277 522 c C 2.546 176.653 174.090 0.028 0.000 1.275 522 c CA 0.787 57.055 56.329 -0.102 0.000 1.727 522 c CB -1.331 41.016 42.510 -0.273 0.000 2.010 522 c HN 0.628 nan 8.230 nan 0.000 0.486 523 I N 0.909 121.525 120.570 0.077 0.000 2.179 523 I HA -0.227 3.940 4.170 -0.005 0.000 0.242 523 I C 2.512 178.636 176.117 0.011 0.000 1.088 523 I CA 1.600 62.938 61.300 0.064 0.000 1.357 523 I CB -0.393 37.655 38.000 0.079 0.000 1.051 523 I HN 0.355 nan 8.210 nan 0.000 0.409 524 K N 0.715 121.112 120.400 -0.005 0.000 2.097 524 K HA -0.125 4.191 4.320 -0.005 0.000 0.206 524 K C 1.989 178.575 176.600 -0.024 0.000 1.049 524 K CA 1.474 57.741 56.287 -0.033 0.000 0.933 524 K CB -0.227 32.227 32.500 -0.076 0.000 0.717 524 K HN 0.321 nan 8.250 nan 0.000 0.442 525 A N 0.325 123.139 122.820 -0.010 0.000 2.206 525 A HA 0.150 4.467 4.320 -0.005 0.000 0.211 525 A C 1.419 179.002 177.584 -0.001 0.000 1.158 525 A CA 0.825 52.859 52.037 -0.004 0.000 0.761 525 A CB -0.390 18.614 19.000 0.006 0.000 0.801 525 A HN 0.413 nan 8.150 nan 0.000 0.473 526 G N -1.267 107.532 108.800 -0.001 0.000 2.160 526 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.251 526 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.251 526 G C 0.684 175.592 174.900 0.013 0.000 1.008 526 G CA 0.599 45.698 45.100 -0.002 0.000 0.724 526 G HN 0.447 nan 8.290 nan 0.000 0.514 527 Q N -1.716 118.103 119.800 0.030 0.000 2.384 527 Q HA 0.198 4.534 4.340 -0.005 0.000 0.207 527 Q C -0.019 176.051 176.000 0.116 0.000 0.904 527 Q CA 0.307 56.140 55.803 0.050 0.000 0.933 527 Q CB 0.684 29.440 28.738 0.030 0.000 1.077 527 Q HN 0.725 nan 8.270 nan 0.000 0.522 528 Y N 0.806 121.077 120.300 -0.049 0.000 2.346 528 Y HA 0.385 4.931 4.550 -0.006 0.000 0.332 528 Y C -1.761 174.122 175.900 -0.027 0.000 0.985 528 Y CA -1.856 56.217 58.100 -0.044 0.000 1.112 528 Y CB 1.337 39.760 38.460 -0.063 0.000 1.170 528 Y HN -0.211 nan 8.280 nan 0.000 0.447 529 D N 8.477 128.598 120.400 -0.464 0.000 2.686 529 D HA 0.367 5.004 4.640 -0.005 0.000 0.249 529 D C -2.267 173.697 176.300 -0.559 0.000 1.260 529 D CA -2.300 51.389 54.000 -0.519 0.000 0.910 529 D CB 2.786 43.458 40.800 -0.213 0.000 1.323 529 D HN 0.326 nan 8.370 nan 0.000 0.561 530 P HA -0.031 nan 4.420 nan 0.000 0.225 530 P C 0.129 177.361 177.300 -0.113 0.000 1.148 530 P CA 0.753 63.676 63.100 -0.294 0.000 0.779 530 P CB 0.591 32.174 31.700 -0.195 0.000 0.780 531 D N -1.374 118.951 120.400 -0.126 0.000 2.363 531 D HA 0.044 4.680 4.640 -0.005 0.000 0.214 531 D C 0.247 176.517 176.300 -0.050 0.000 1.093 531 D CA 0.287 54.248 54.000 -0.065 0.000 0.837 531 D CB -0.164 40.600 40.800 -0.060 0.000 0.948 531 D HN 0.106 nan 8.370 nan 0.000 0.507 532 N N 1.082 119.745 118.700 -0.060 0.000 2.479 532 N HA 0.022 4.759 4.740 -0.005 0.000 0.261 532 N C 0.717 176.223 175.510 -0.007 0.000 0.979 532 N CA -0.356 52.674 53.050 -0.034 0.000 0.930 532 N CB 1.933 40.394 38.487 -0.043 0.000 1.172 532 N HN -0.272 nan 8.380 nan 0.000 0.499 533 V N 3.434 123.349 119.914 0.002 0.000 2.720 533 V HA -0.092 4.025 4.120 -0.005 0.000 0.256 533 V C 1.375 177.480 176.094 0.018 0.000 1.082 533 V CA 1.714 64.022 62.300 0.013 0.000 1.101 533 V CB -0.149 31.679 31.823 0.009 0.000 0.693 533 V HN 0.593 nan 8.190 nan 0.000 0.479 534 E N -0.012 120.197 120.200 0.014 0.000 2.435 534 E HA 0.092 4.439 4.350 -0.005 0.000 0.195 534 E C 0.645 177.263 176.600 0.031 0.000 1.029 534 E CA 0.423 56.834 56.400 0.019 0.000 0.865 534 E CB 0.144 29.851 29.700 0.011 0.000 0.833 534 E HN 0.532 nan 8.360 nan 0.000 0.510 535 L N 2.564 123.811 121.223 0.040 0.000 2.637 535 L HA 0.284 4.620 4.340 -0.005 0.000 0.241 535 L C -2.434 174.529 176.870 0.154 0.000 1.398 535 L CA -1.621 53.263 54.840 0.074 0.000 0.895 535 L CB 1.152 43.241 42.059 0.049 0.000 1.183 535 L HN -0.202 nan 8.230 nan 0.000 0.497 536 P HA 0.073 nan 4.420 nan 0.000 0.277 536 P C 0.718 178.044 177.300 0.045 0.000 1.240 536 P CA -0.593 62.580 63.100 0.122 0.000 0.798 536 P CB 2.068 33.778 31.700 0.018 0.000 0.979 537 L N 2.442 123.562 121.223 -0.172 0.000 2.079 537 L HA -0.154 4.183 4.340 -0.005 0.000 0.210 537 L C 1.626 178.354 176.870 -0.237 0.000 1.081 537 L CA 2.029 56.584 54.840 -0.476 0.000 0.752 537 L CB -1.345 40.196 42.059 -0.864 0.000 0.896 537 L HN 0.414 nan 8.230 nan 0.000 0.433 538 D N -2.332 117.816 120.400 -0.419 0.000 2.363 538 D HA -0.136 4.501 4.640 -0.005 0.000 0.226 538 D C 0.764 177.024 176.300 -0.067 0.000 1.020 538 D CA 0.352 54.094 54.000 -0.430 0.000 0.892 538 D CB -0.327 40.088 40.800 -0.642 0.000 0.900 538 D HN 0.347 nan 8.370 nan 0.000 0.531 539 N N 0.082 118.779 118.700 -0.005 0.000 2.299 539 N HA 0.038 4.774 4.740 -0.005 0.000 0.246 539 N C -1.047 174.518 175.510 0.092 0.000 1.254 539 N CA -0.508 52.575 53.050 0.055 0.000 0.879 539 N CB 0.284 38.797 38.487 0.043 0.000 1.214 539 N HN 0.181 nan 8.380 nan 0.000 0.510 540 c N 0.562 119.234 118.600 0.120 0.000 2.585 540 c HA 0.453 5.020 4.570 -0.005 0.000 0.406 540 c C -0.057 174.130 174.090 0.161 0.000 1.312 540 c CA -0.483 55.897 56.329 0.086 0.000 1.924 540 c CB -0.376 42.077 42.510 -0.094 0.000 2.578 540 c HN 0.381 nan 8.230 nan 0.000 0.580 541 D N 4.051 124.534 120.400 0.139 0.000 2.471 541 D HA 0.322 4.959 4.640 -0.005 0.000 0.245 541 D C 0.696 177.102 176.300 0.176 0.000 1.116 541 D CA -0.614 53.510 54.000 0.206 0.000 0.853 541 D CB 0.863 41.801 40.800 0.229 0.000 1.123 541 D HN 0.654 nan 8.370 nan 0.000 0.540 542 I N 1.243 121.950 120.570 0.228 0.000 3.812 542 I HA 0.275 4.441 4.170 -0.005 0.000 0.320 542 I C 0.293 176.465 176.117 0.091 0.000 1.276 542 I CA -0.626 60.773 61.300 0.166 0.000 1.164 542 I CB -0.437 37.674 38.000 0.185 0.000 1.009 542 I HN 0.192 nan 8.210 nan 0.000 0.431 543 Y N 3.213 123.409 120.300 -0.172 0.000 2.712 543 Y HA 0.300 4.848 4.550 -0.002 0.000 0.333 543 Y C 1.552 177.274 175.900 -0.296 0.000 1.225 543 Y CA 1.219 58.921 58.100 -0.663 0.000 1.499 543 Y CB 0.563 38.617 38.460 -0.676 0.000 1.288 543 Y HN 0.444 nan 8.280 nan 0.000 0.575 544 G N 3.199 111.431 108.800 -0.946 0.000 2.189 544 G HA2 -0.314 3.642 3.960 -0.005 0.000 0.267 544 G HA3 -0.314 3.642 3.960 -0.005 0.000 0.267 544 G C 0.213 174.959 174.900 -0.257 0.000 0.975 544 G CA 0.436 45.197 45.100 -0.564 0.000 0.644 544 G HN 0.938 nan 8.290 nan 0.000 0.537 545 S N 0.365 115.952 115.700 -0.188 0.000 2.409 545 S HA 0.682 5.149 4.470 -0.005 0.000 0.308 545 S C 1.620 176.181 174.600 -0.066 0.000 1.080 545 S CA 0.646 58.796 58.200 -0.084 0.000 1.081 545 S CB 0.759 63.943 63.200 -0.027 0.000 1.009 545 S HN 1.415 nan 8.310 nan 0.000 0.502 546 A N 5.263 128.044 122.820 -0.066 0.000 1.969 546 A HA 0.136 4.453 4.320 -0.005 0.000 0.218 546 A C 2.321 179.889 177.584 -0.027 0.000 1.169 546 A CA 1.579 53.587 52.037 -0.048 0.000 0.635 546 A CB -1.029 17.940 19.000 -0.053 0.000 0.810 546 A HN 1.066 nan 8.150 nan 0.000 0.445 547 A N 0.028 122.829 122.820 -0.032 0.000 1.877 547 A HA 0.151 4.468 4.320 -0.005 0.000 0.216 547 A C 2.515 180.072 177.584 -0.046 0.000 1.186 547 A CA 2.093 54.105 52.037 -0.040 0.000 0.620 547 A CB -1.042 17.932 19.000 -0.043 0.000 0.822 547 A HN 1.030 nan 8.150 nan 0.000 0.443 548 A N -0.515 122.301 122.820 -0.005 0.000 1.902 548 A HA 0.125 4.441 4.320 -0.005 0.000 0.217 548 A C 2.423 180.116 177.584 0.181 0.000 1.181 548 A CA 1.928 53.999 52.037 0.056 0.000 0.623 548 A CB -1.414 17.670 19.000 0.140 0.000 0.818 548 A HN 0.760 nan 8.150 nan 0.000 0.443 549 G N -0.524 108.366 108.800 0.150 0.000 2.422 549 G HA2 -0.002 3.955 3.960 -0.005 0.000 0.218 549 G HA3 -0.002 3.955 3.960 -0.005 0.000 0.218 549 G C 1.712 176.713 174.900 0.170 0.000 1.146 549 G CA 1.438 46.647 45.100 0.182 0.000 0.769 549 G HN 0.793 nan 8.290 nan 0.000 0.547 550 A N 1.216 124.075 122.820 0.065 0.000 1.902 550 A HA 0.252 4.569 4.320 -0.005 0.000 0.217 550 A C 2.828 180.417 177.584 0.007 0.000 1.181 550 A CA 2.255 54.322 52.037 0.051 0.000 0.623 550 A CB -0.803 18.194 19.000 -0.005 0.000 0.818 550 A HN 0.780 nan 8.150 nan 0.000 0.443 551 A N -1.164 121.553 122.820 -0.172 0.000 1.902 551 A HA -0.018 4.298 4.320 -0.005 0.000 0.217 551 A C 1.961 179.364 177.584 -0.301 0.000 1.181 551 A CA 1.555 53.291 52.037 -0.503 0.000 0.623 551 A CB -0.755 17.519 19.000 -1.209 0.000 0.818 551 A HN 0.452 nan 8.150 nan 0.000 0.443 552 F N -0.673 119.268 119.950 -0.016 0.000 2.102 552 F HA -0.159 4.364 4.527 -0.008 0.000 0.298 552 F C 2.333 178.165 175.800 0.052 0.000 1.105 552 F CA 1.953 60.028 58.000 0.125 0.000 1.239 552 F CB -0.778 38.275 39.000 0.088 0.000 0.991 552 F HN 0.528 nan 8.300 nan 0.000 0.474 553 H N 0.323 119.495 119.070 0.170 0.000 2.319 553 H HA -0.159 4.396 4.556 -0.001 0.000 0.299 553 H C 2.098 177.473 175.328 0.079 0.000 1.092 553 H CA 2.201 58.306 56.048 0.095 0.000 1.302 553 H CB -0.486 29.310 29.762 0.056 0.000 1.373 553 H HN 0.013 nan 8.280 nan 0.000 0.497 554 N N 0.031 118.683 118.700 -0.080 0.000 2.094 554 N HA -0.200 4.537 4.740 -0.005 0.000 0.191 554 N C 2.147 177.625 175.510 -0.054 0.000 1.023 554 N CA 1.776 54.759 53.050 -0.112 0.000 0.857 554 N CB -0.399 38.065 38.487 -0.038 0.000 1.013 554 N HN 0.540 nan 8.380 nan 0.000 0.426 555 M N 0.071 119.686 119.600 0.026 0.000 2.216 555 M HA 0.038 4.515 4.480 -0.005 0.000 0.264 555 M C 1.699 178.042 176.300 0.073 0.000 1.080 555 M CA 0.948 56.299 55.300 0.085 0.000 1.153 555 M CB 0.087 32.770 32.600 0.139 0.000 1.356 555 M HN -0.013 nan 8.290 nan 0.000 0.432 556 L N 0.227 121.452 121.223 0.004 0.000 2.141 556 L HA -0.129 4.207 4.340 -0.005 0.000 0.209 556 L C 2.627 179.646 176.870 0.248 0.000 1.094 556 L CA 1.374 56.210 54.840 -0.007 0.000 0.763 556 L CB -0.911 41.012 42.059 -0.226 0.000 0.908 556 L HN 0.477 nan 8.230 nan 0.000 0.437 557 S N -0.470 115.296 115.700 0.110 0.000 2.447 557 S HA -0.153 4.314 4.470 -0.005 0.000 0.233 557 S C 1.893 176.637 174.600 0.241 0.000 1.006 557 S CA 0.900 59.221 58.200 0.202 0.000 0.957 557 S CB -0.361 62.808 63.200 -0.051 0.000 0.773 557 S HN 0.375 nan 8.310 nan 0.000 0.507 558 M N 1.482 121.169 119.600 0.146 0.000 2.296 558 M HA 0.142 4.619 4.480 -0.005 0.000 0.265 558 M C 2.005 178.322 176.300 0.027 0.000 1.064 558 M CA 0.767 56.105 55.300 0.063 0.000 1.109 558 M CB -1.198 31.415 32.600 0.021 0.000 1.396 558 M HN 0.601 nan 8.290 nan 0.000 0.430 559 G N 0.865 109.779 108.800 0.189 0.000 2.634 559 G HA2 -0.361 3.596 3.960 -0.005 0.000 0.309 559 G HA3 -0.361 3.596 3.960 -0.005 0.000 0.309 559 G C 0.443 175.251 174.900 -0.154 0.000 1.265 559 G CA 0.359 45.462 45.100 0.004 0.000 0.998 559 G HN 0.658 nan 8.290 nan 0.000 0.551 560 A N -0.032 122.614 122.820 -0.290 0.000 2.610 560 A HA 0.631 4.948 4.320 -0.005 0.000 0.286 560 A C 2.063 179.306 177.584 -0.568 0.000 1.306 560 A CA 1.403 53.264 52.037 -0.295 0.000 0.942 560 A CB -0.328 18.546 19.000 -0.210 0.000 1.112 560 A HN 1.961 nan 8.150 nan 0.000 0.527 561 S N -0.269 114.942 115.700 -0.814 0.000 2.447 561 S HA 0.036 4.503 4.470 -0.005 0.000 0.233 561 S C 0.809 174.965 174.600 -0.741 0.000 1.006 561 S CA 0.667 58.011 58.200 -1.426 0.000 0.957 561 S CB 0.048 62.774 63.200 -0.791 0.000 0.773 561 S HN 0.316 nan 8.310 nan 0.000 0.507 562 K N 1.283 121.437 120.400 -0.409 0.000 2.477 562 K HA 0.549 4.865 4.320 -0.005 0.000 0.255 562 K C -3.296 173.192 176.600 -0.187 0.000 0.952 562 K CA -2.510 53.635 56.287 -0.236 0.000 0.826 562 K CB 1.270 33.676 32.500 -0.157 0.000 1.331 562 K HN -0.061 nan 8.250 nan 0.000 0.437 563 P HA -0.042 nan 4.420 nan 0.000 0.266 563 P C 1.079 178.266 177.300 -0.189 0.000 1.193 563 P CA -0.103 62.900 63.100 -0.162 0.000 0.770 563 P CB 0.225 31.810 31.700 -0.193 0.000 0.836 564 W N 3.658 124.854 121.300 -0.173 0.000 2.331 564 W HA -0.090 4.566 4.660 -0.007 0.000 0.291 564 W C -1.726 174.766 176.519 -0.046 0.000 1.214 564 W CA 1.165 58.339 57.345 -0.285 0.000 1.228 564 W CB -2.975 26.245 29.460 -0.400 0.000 1.135 564 W HN 0.316 nan 8.180 nan 0.000 0.537 565 P HA -0.116 nan 4.420 nan 0.000 0.220 565 P C 1.191 178.461 177.300 -0.051 0.000 1.148 565 P CA 2.045 64.934 63.100 -0.353 0.000 0.803 565 P CB -0.178 31.156 31.700 -0.611 0.000 0.782 566 D N -0.810 119.542 120.400 -0.079 0.000 2.183 566 D HA -0.042 4.595 4.640 -0.005 0.000 0.203 566 D C 1.946 178.283 176.300 0.062 0.000 0.969 566 D CA 1.161 55.153 54.000 -0.014 0.000 0.842 566 D CB -0.445 40.322 40.800 -0.056 0.000 0.957 566 D HN 0.082 nan 8.370 nan 0.000 0.484 567 A N 0.799 123.672 122.820 0.087 0.000 1.929 567 A HA -0.077 4.240 4.320 -0.005 0.000 0.216 567 A C 2.105 179.921 177.584 0.388 0.000 1.176 567 A CA 0.606 52.745 52.037 0.169 0.000 0.628 567 A CB -0.544 18.484 19.000 0.046 0.000 0.816 567 A HN 0.203 nan 8.150 nan 0.000 0.444 568 L N 0.300 121.854 121.223 0.551 0.000 2.046 568 L HA -0.145 4.192 4.340 -0.005 0.000 0.208 568 L C 2.173 179.280 176.870 0.394 0.000 1.077 568 L CA 2.625 57.833 54.840 0.612 0.000 0.747 568 L CB -0.683 41.771 42.059 0.659 0.000 0.896 568 L HN 0.591 nan 8.230 nan 0.000 0.432 569 E N -0.771 119.583 120.200 0.258 0.000 2.110 569 E HA -0.226 4.121 4.350 -0.005 0.000 0.193 569 E C 2.069 178.759 176.600 0.150 0.000 0.988 569 E CA 1.026 57.527 56.400 0.169 0.000 0.804 569 E CB -0.140 29.618 29.700 0.097 0.000 0.745 569 E HN 0.631 nan 8.360 nan 0.000 0.458 570 A N 0.087 123.000 122.820 0.154 0.000 2.019 570 A HA -0.151 4.166 4.320 -0.005 0.000 0.219 570 A C 1.849 179.499 177.584 0.110 0.000 1.164 570 A CA 0.879 52.980 52.037 0.107 0.000 0.644 570 A CB -0.586 18.468 19.000 0.090 0.000 0.805 570 A HN 0.447 nan 8.150 nan 0.000 0.449 571 F N 1.378 121.351 119.950 0.039 0.000 2.118 571 F HA -0.057 4.467 4.527 -0.005 0.000 0.293 571 F C 1.575 177.378 175.800 0.004 0.000 1.102 571 F CA 1.810 59.795 58.000 -0.026 0.000 1.247 571 F CB 0.182 39.159 39.000 -0.039 0.000 1.017 571 F HN 0.465 nan 8.300 nan 0.000 0.475 572 N N -1.419 117.439 118.700 0.262 0.000 2.142 572 N HA 0.203 4.940 4.740 -0.005 0.000 0.233 572 N C 0.870 176.458 175.510 0.130 0.000 1.335 572 N CA 0.578 53.730 53.050 0.169 0.000 0.837 572 N CB 0.379 39.054 38.487 0.312 0.000 1.238 572 N HN 0.344 nan 8.380 nan 0.000 0.501 573 G N -0.102 108.771 108.800 0.123 0.000 2.179 573 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.260 573 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.260 573 G C -0.354 174.609 174.900 0.104 0.000 0.977 573 G CA 0.488 45.644 45.100 0.092 0.000 0.641 573 G HN 0.511 nan 8.290 nan 0.000 0.533 574 E N -0.805 119.481 120.200 0.143 0.000 2.250 574 E HA 0.682 5.029 4.350 -0.005 0.000 0.269 574 E C 1.010 177.703 176.600 0.154 0.000 1.018 574 E CA -0.796 55.686 56.400 0.137 0.000 0.873 574 E CB 0.834 30.620 29.700 0.144 0.000 1.134 574 E HN 0.279 nan 8.360 nan 0.000 0.403 575 R N 0.936 121.510 120.500 0.124 0.000 2.531 575 R HA 0.333 4.669 4.340 -0.005 0.000 0.316 575 R C -0.208 176.158 176.300 0.109 0.000 0.955 575 R CA -0.034 56.118 56.100 0.086 0.000 1.120 575 R CB 0.574 30.881 30.300 0.012 0.000 1.361 575 R HN 0.409 nan 8.270 nan 0.000 0.534 576 I N 1.269 121.952 120.570 0.188 0.000 2.465 576 I HA 0.288 4.455 4.170 -0.005 0.000 0.291 576 I C -0.196 176.096 176.117 0.291 0.000 1.014 576 I CA -0.882 60.559 61.300 0.235 0.000 1.093 576 I CB 2.147 40.233 38.000 0.142 0.000 1.267 576 I HN -0.071 nan 8.210 nan 0.000 0.431 577 M N 5.763 125.606 119.600 0.405 0.000 2.246 577 M HA 0.203 4.679 4.480 -0.005 0.000 0.350 577 M C -0.311 176.037 176.300 0.080 0.000 1.406 577 M CA 0.850 56.264 55.300 0.191 0.000 1.089 577 M CB 0.438 33.110 32.600 0.121 0.000 1.782 577 M HN 0.671 nan 8.290 nan 0.000 0.457 578 S N 2.784 118.497 115.700 0.022 0.000 2.540 578 S HA 0.648 5.114 4.470 -0.005 0.000 0.275 578 S C 0.444 175.040 174.600 -0.006 0.000 1.123 578 S CA -0.382 57.829 58.200 0.018 0.000 0.907 578 S CB 1.659 64.883 63.200 0.041 0.000 1.081 578 S HN 0.883 nan 8.310 nan 0.000 0.476 579 G N 2.591 111.388 108.800 -0.004 0.000 3.088 579 G HA2 0.047 4.004 3.960 -0.005 0.000 0.212 579 G HA3 0.047 4.004 3.960 -0.005 0.000 0.212 579 G C 1.042 175.943 174.900 0.002 0.000 1.173 579 G CA 0.096 45.190 45.100 -0.010 0.000 0.779 579 G HN 0.736 nan 8.290 nan 0.000 0.540 580 K N 0.637 121.050 120.400 0.021 0.000 2.032 580 K HA -0.034 4.283 4.320 -0.005 0.000 0.209 580 K C 2.683 179.311 176.600 0.047 0.000 1.048 580 K CA 1.391 57.701 56.287 0.038 0.000 0.927 580 K CB -0.217 32.313 32.500 0.050 0.000 0.712 580 K HN 0.171 nan 8.250 nan 0.000 0.441 581 A N 1.444 124.296 122.820 0.053 0.000 1.877 581 A HA -0.151 4.166 4.320 -0.005 0.000 0.216 581 A C 2.164 179.776 177.584 0.045 0.000 1.186 581 A CA 1.522 53.613 52.037 0.090 0.000 0.620 581 A CB -0.617 18.459 19.000 0.126 0.000 0.822 581 A HN 0.514 nan 8.150 nan 0.000 0.443 582 I N -0.583 119.935 120.570 -0.087 0.000 2.226 582 I HA -0.221 3.946 4.170 -0.005 0.000 0.245 582 I C 2.622 178.675 176.117 -0.105 0.000 1.100 582 I CA 1.333 62.370 61.300 -0.438 0.000 1.374 582 I CB -0.134 37.542 38.000 -0.540 0.000 1.057 582 I HN 0.327 nan 8.210 nan 0.000 0.413 583 A N -0.012 122.804 122.820 -0.006 0.000 1.933 583 A HA -0.277 4.040 4.320 -0.005 0.000 0.218 583 A C 2.260 179.900 177.584 0.094 0.000 1.175 583 A CA 1.891 53.969 52.037 0.069 0.000 0.628 583 A CB -0.680 18.345 19.000 0.042 0.000 0.814 583 A HN 0.616 nan 8.150 nan 0.000 0.444 584 E N -1.529 118.714 120.200 0.072 0.000 2.051 584 E HA -0.237 4.109 4.350 -0.005 0.000 0.192 584 E C 1.810 178.435 176.600 0.042 0.000 0.991 584 E CA 1.363 57.808 56.400 0.076 0.000 0.799 584 E CB -0.330 29.428 29.700 0.096 0.000 0.748 584 E HN 0.722 nan 8.360 nan 0.000 0.449 585 Y N -0.523 119.688 120.300 -0.148 0.000 2.165 585 Y HA -0.237 4.309 4.550 -0.006 0.000 0.286 585 Y C 1.427 177.090 175.900 -0.397 0.000 1.155 585 Y CA 1.848 59.757 58.100 -0.318 0.000 1.164 585 Y CB -0.046 38.136 38.460 -0.464 0.000 0.978 585 Y HN 0.064 nan 8.280 nan 0.000 0.513 586 F N -0.179 119.874 119.950 0.171 0.000 2.765 586 F HA 0.111 4.635 4.527 -0.005 0.000 0.302 586 F C 1.989 177.834 175.800 0.075 0.000 1.111 586 F CA 0.511 58.587 58.000 0.126 0.000 1.359 586 F CB -0.327 38.721 39.000 0.080 0.000 1.097 586 F HN 0.043 nan 8.300 nan 0.000 0.577 587 E N 1.870 122.174 120.200 0.173 0.000 2.114 587 E HA -0.206 4.141 4.350 -0.005 0.000 0.199 587 E C -0.719 175.962 176.600 0.134 0.000 1.008 587 E CA 1.924 58.404 56.400 0.133 0.000 0.810 587 E CB -1.260 28.495 29.700 0.092 0.000 0.739 587 E HN 0.161 nan 8.360 nan 0.000 0.456 588 P HA -0.113 nan 4.420 nan 0.000 0.217 588 P C 1.444 178.862 177.300 0.196 0.000 1.150 588 P CA 0.894 64.066 63.100 0.119 0.000 0.832 588 P CB -0.073 31.661 31.700 0.057 0.000 0.787 589 L N -0.229 121.134 121.223 0.233 0.000 2.027 589 L HA -0.067 4.270 4.340 -0.005 0.000 0.206 589 L C 2.556 179.623 176.870 0.328 0.000 1.074 589 L CA 1.751 56.783 54.840 0.321 0.000 0.745 589 L CB -0.874 41.415 42.059 0.383 0.000 0.898 589 L HN -0.247 nan 8.230 nan 0.000 0.433 590 R N -0.792 119.856 120.500 0.247 0.000 2.096 590 R HA -0.173 4.164 4.340 -0.005 0.000 0.240 590 R C 2.063 178.454 176.300 0.151 0.000 1.139 590 R CA 2.280 58.486 56.100 0.176 0.000 0.952 590 R CB -0.486 29.894 30.300 0.133 0.000 0.854 590 R HN 0.361 nan 8.270 nan 0.000 0.436 591 V N -0.159 119.849 119.914 0.158 0.000 2.255 591 V HA -0.275 3.842 4.120 -0.005 0.000 0.247 591 V C 1.973 178.153 176.094 0.143 0.000 1.051 591 V CA 2.145 64.522 62.300 0.127 0.000 1.018 591 V CB -0.749 31.151 31.823 0.128 0.000 0.641 591 V HN 0.579 nan 8.190 nan 0.000 0.445 592 W N 0.170 121.501 121.300 0.052 0.000 2.358 592 W HA -0.188 4.469 4.660 -0.005 0.000 0.303 592 W C 2.168 178.686 176.519 -0.001 0.000 1.208 592 W CA 1.760 59.132 57.345 0.044 0.000 1.274 592 W CB -0.269 29.237 29.460 0.077 0.000 1.138 592 W HN 0.200 nan 8.180 nan 0.000 0.515 593 L N 1.215 122.532 121.223 0.156 0.000 2.056 593 L HA -0.105 4.232 4.340 -0.005 0.000 0.207 593 L C 2.246 178.996 176.870 -0.201 0.000 1.078 593 L CA 2.163 56.955 54.840 -0.080 0.000 0.749 593 L CB -1.128 41.058 42.059 0.212 0.000 0.901 593 L HN 0.064 nan 8.230 nan 0.000 0.433 594 E N -0.547 119.602 120.200 -0.086 0.000 2.085 594 E HA -0.242 4.105 4.350 -0.005 0.000 0.194 594 E C 2.132 178.638 176.600 -0.156 0.000 0.994 594 E CA 1.228 57.576 56.400 -0.087 0.000 0.801 594 E CB -0.268 29.411 29.700 -0.034 0.000 0.743 594 E HN 0.640 nan 8.360 nan 0.000 0.453 595 A N 1.133 123.829 122.820 -0.208 0.000 1.898 595 A HA -0.213 4.103 4.320 -0.005 0.000 0.216 595 A C 2.038 179.412 177.584 -0.351 0.000 1.181 595 A CA 1.593 53.487 52.037 -0.238 0.000 0.620 595 A CB -0.341 18.533 19.000 -0.210 0.000 0.819 595 A HN 0.126 nan 8.150 nan 0.000 0.442 596 E N 0.650 120.482 120.200 -0.614 0.000 2.077 596 E HA -0.164 4.183 4.350 -0.005 0.000 0.193 596 E C 1.772 178.152 176.600 -0.367 0.000 0.989 596 E CA 1.572 57.564 56.400 -0.681 0.000 0.800 596 E CB -0.222 28.643 29.700 -1.391 0.000 0.746 596 E HN 0.542 nan 8.360 nan 0.000 0.452 597 N N -0.029 118.502 118.700 -0.281 0.000 2.166 597 N HA -0.106 4.631 4.740 -0.005 0.000 0.186 597 N C 1.832 177.246 175.510 -0.161 0.000 1.019 597 N CA 1.104 54.060 53.050 -0.156 0.000 0.856 597 N CB -0.150 38.294 38.487 -0.073 0.000 0.993 597 N HN 0.288 nan 8.380 nan 0.000 0.426 598 I N 1.025 121.502 120.570 -0.154 0.000 2.252 598 I HA -0.210 3.957 4.170 -0.005 0.000 0.245 598 I C 2.397 178.438 176.117 -0.127 0.000 1.102 598 I CA 0.888 62.114 61.300 -0.122 0.000 1.385 598 I CB -0.143 37.796 38.000 -0.101 0.000 1.064 598 I HN 0.093 nan 8.210 nan 0.000 0.414 599 K N 0.947 121.256 120.400 -0.150 0.000 2.113 599 K HA -0.187 4.130 4.320 -0.005 0.000 0.208 599 K C 1.316 177.838 176.600 -0.131 0.000 1.047 599 K CA 1.553 57.763 56.287 -0.128 0.000 0.928 599 K CB -0.005 32.409 32.500 -0.143 0.000 0.716 599 K HN 0.341 nan 8.250 nan 0.000 0.446 600 N N 1.029 119.614 118.700 -0.192 0.000 2.235 600 N HA -0.059 4.678 4.740 -0.005 0.000 0.209 600 N C -0.441 174.894 175.510 -0.290 0.000 1.122 600 N CA 0.090 52.979 53.050 -0.268 0.000 0.845 600 N CB 0.310 38.523 38.487 -0.457 0.000 1.004 600 N HN 0.212 nan 8.380 nan 0.000 0.499 601 N N 0.827 119.415 118.700 -0.187 0.000 2.714 601 N HA -0.172 4.565 4.740 -0.005 0.000 0.252 601 N C -1.095 174.330 175.510 -0.142 0.000 1.014 601 N CA 0.192 53.165 53.050 -0.129 0.000 0.735 601 N CB -1.415 37.022 38.487 -0.083 0.000 0.924 601 N HN -0.079 nan 8.380 nan 0.000 0.540 602 V N 1.797 121.599 119.914 -0.187 0.000 2.508 602 V HA 0.046 4.162 4.120 -0.005 0.000 0.281 602 V C 0.990 177.083 176.094 -0.003 0.000 1.041 602 V CA -0.358 61.849 62.300 -0.155 0.000 1.016 602 V CB 0.677 32.397 31.823 -0.171 0.000 0.984 602 V HN 0.479 nan 8.190 nan 0.000 0.478 603 H N 5.866 124.928 119.070 -0.014 0.000 2.803 603 H HA 0.316 4.869 4.556 -0.005 0.000 0.330 603 H C -0.440 174.937 175.328 0.082 0.000 1.057 603 H CA -0.179 55.888 56.048 0.031 0.000 1.458 603 H CB 0.398 30.190 29.762 0.050 0.000 1.470 603 H HN 0.411 nan 8.280 nan 0.000 0.560 604 I N 4.765 125.068 120.570 -0.445 0.000 2.441 604 I HA 0.460 4.626 4.170 -0.005 0.000 0.295 604 I C 1.001 176.894 176.117 -0.374 0.000 0.994 604 I CA 0.353 61.513 61.300 -0.234 0.000 1.144 604 I CB 0.754 38.667 38.000 -0.145 0.000 1.314 604 I HN 0.974 nan 8.210 nan 0.000 0.445 605 G N 5.566 114.308 108.800 -0.096 0.000 2.661 605 G HA2 -0.036 3.920 3.960 -0.005 0.000 0.685 605 G HA3 -0.036 3.920 3.960 -0.005 0.000 0.685 605 G C -1.654 173.338 174.900 0.154 0.000 1.298 605 G CA -0.474 44.484 45.100 -0.236 0.000 0.855 605 G HN 0.940 nan 8.290 nan 0.000 0.560 606 W N -1.027 120.301 121.300 0.046 0.000 3.217 606 W HA 0.733 5.390 4.660 -0.006 0.000 0.323 606 W C 0.393 176.958 176.519 0.077 0.000 1.216 606 W CA -0.780 56.631 57.345 0.110 0.000 1.194 606 W CB 0.398 29.918 29.460 0.100 0.000 1.397 606 W HN 1.147 nan 8.180 nan 0.000 0.537 607 T N -0.561 114.164 114.554 0.285 0.000 2.860 607 T HA 0.343 4.690 4.350 -0.005 0.000 0.299 607 T C 0.356 175.204 174.700 0.246 0.000 1.045 607 T CA -0.303 61.903 62.100 0.175 0.000 1.071 607 T CB 0.718 69.658 68.868 0.120 0.000 0.985 607 T HN 0.560 nan 8.240 nan 0.000 0.537 608 T N 2.715 117.365 114.554 0.160 0.000 2.902 608 T HA 0.182 4.529 4.350 -0.005 0.000 0.301 608 T C 0.742 175.521 174.700 0.133 0.000 1.012 608 T CA -0.193 62.005 62.100 0.165 0.000 1.151 608 T CB 0.551 69.482 68.868 0.106 0.000 0.946 608 T HN 0.811 nan 8.240 nan 0.000 0.542 609 S N 2.443 118.221 115.700 0.130 0.000 2.560 609 S HA 0.029 4.495 4.470 -0.005 0.000 0.284 609 S C 1.019 175.640 174.600 0.035 0.000 1.327 609 S CA -0.624 57.613 58.200 0.061 0.000 1.055 609 S CB 0.104 63.326 63.200 0.037 0.000 0.868 609 S HN 0.634 nan 8.310 nan 0.000 0.506 610 N N 3.107 121.805 118.700 -0.003 0.000 2.238 610 N HA 0.133 4.869 4.740 -0.005 0.000 0.222 610 N C 0.093 175.576 175.510 -0.046 0.000 1.133 610 N CA -0.260 52.784 53.050 -0.010 0.000 0.854 610 N CB 0.514 38.995 38.487 -0.011 0.000 1.041 610 N HN 0.475 nan 8.380 nan 0.000 0.510 611 K N 0.204 120.553 120.400 -0.086 0.000 2.404 611 K HA 0.131 4.448 4.320 -0.005 0.000 0.194 611 K C 0.019 176.530 176.600 -0.149 0.000 1.023 611 K CA -0.018 56.169 56.287 -0.167 0.000 1.094 611 K CB -0.049 32.273 32.500 -0.297 0.000 0.841 611 K HN 0.045 nan 8.250 nan 0.000 0.523 612 c N 1.543 120.122 118.600 -0.035 0.000 2.407 612 c HA 0.360 4.926 4.570 -0.005 0.000 0.328 612 c C -0.182 173.955 174.090 0.077 0.000 1.137 612 c CA -0.763 55.597 56.329 0.052 0.000 1.390 612 c CB 0.102 42.721 42.510 0.180 0.000 1.989 612 c HN 0.021 nan 8.230 nan 0.000 0.432 613 V N 6.915 126.869 119.914 0.067 0.000 2.427 613 V HA 0.251 4.367 4.120 -0.005 0.000 0.268 613 V C 0.862 177.011 176.094 0.092 0.000 1.046 613 V CA 0.526 62.866 62.300 0.065 0.000 0.970 613 V CB 1.220 33.071 31.823 0.045 0.000 1.001 613 V HN 1.016 nan 8.190 nan 0.000 0.476 614 S N 0.000 115.755 115.700 0.091 0.000 2.498 614 S HA 0.000 4.467 4.470 -0.005 0.000 0.327 614 S CA 0.000 58.260 58.200 0.101 0.000 1.107 614 S CB 0.000 63.259 63.200 0.098 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517