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 2x93_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 0.000 177.604 177.584 0.034 0.000 1.274 17 A CA 0.000 52.046 52.037 0.015 0.000 0.836 17 A CB 0.000 19.007 19.000 0.012 0.000 0.831 18 L N 0.339 121.590 121.223 0.047 0.000 2.141 18 L HA -0.080 4.256 4.340 -0.006 0.000 0.209 18 L C 2.288 179.187 176.870 0.048 0.000 1.094 18 L CA 1.361 56.253 54.840 0.087 0.000 0.763 18 L CB -0.396 41.725 42.059 0.104 0.000 0.908 18 L HN 0.593 nan 8.230 nan 0.000 0.437 19 V N 0.391 120.319 119.914 0.022 0.000 2.343 19 V HA -0.307 3.809 4.120 -0.006 0.000 0.247 19 V C 3.060 179.147 176.094 -0.012 0.000 1.051 19 V CA 2.401 64.700 62.300 -0.002 0.000 1.036 19 V CB -1.036 30.790 31.823 0.004 0.000 0.654 19 V HN 0.555 nan 8.190 nan 0.000 0.451 20 K N -0.069 120.335 120.400 0.006 0.000 2.103 20 K HA -0.164 4.153 4.320 -0.006 0.000 0.204 20 K C 2.051 178.664 176.600 0.022 0.000 1.052 20 K CA 1.629 57.923 56.287 0.012 0.000 0.945 20 K CB -0.619 31.891 32.500 0.017 0.000 0.722 20 K HN 0.646 nan 8.250 nan 0.000 0.443 21 E N -0.076 120.147 120.200 0.038 0.000 2.106 21 E HA -0.202 4.144 4.350 -0.006 0.000 0.192 21 E C 2.123 178.732 176.600 0.016 0.000 0.984 21 E CA 1.169 57.625 56.400 0.093 0.000 0.806 21 E CB 0.026 29.826 29.700 0.167 0.000 0.750 21 E HN 0.720 nan 8.360 nan 0.000 0.458 22 E N 0.217 120.292 120.200 -0.209 0.000 2.153 22 E HA -0.174 4.172 4.350 -0.006 0.000 0.194 22 E C 2.049 178.519 176.600 -0.217 0.000 0.988 22 E CA 0.934 57.008 56.400 -0.543 0.000 0.811 22 E CB -0.003 29.342 29.700 -0.592 0.000 0.746 22 E HN 0.330 nan 8.360 nan 0.000 0.466 23 I N 0.678 121.196 120.570 -0.087 0.000 2.252 23 I HA -0.289 3.878 4.170 -0.006 0.000 0.245 23 I C 2.476 178.612 176.117 0.033 0.000 1.102 23 I CA 1.170 62.457 61.300 -0.021 0.000 1.385 23 I CB -0.240 37.759 38.000 -0.003 0.000 1.064 23 I HN 0.154 nan 8.210 nan 0.000 0.414 24 Q N 0.604 120.450 119.800 0.077 0.000 2.119 24 Q HA -0.152 4.184 4.340 -0.006 0.000 0.201 24 Q C 2.471 178.614 176.000 0.239 0.000 0.972 24 Q CA 1.578 57.478 55.803 0.161 0.000 0.847 24 Q CB -0.265 28.588 28.738 0.193 0.000 0.903 24 Q HN 0.577 nan 8.270 nan 0.000 0.433 25 A N 1.528 124.483 122.820 0.225 0.000 1.933 25 A HA -0.230 4.087 4.320 -0.006 0.000 0.218 25 A C 2.003 179.670 177.584 0.137 0.000 1.175 25 A CA 1.587 53.738 52.037 0.190 0.000 0.628 25 A CB -0.405 18.741 19.000 0.243 0.000 0.814 25 A HN 0.212 nan 8.150 nan 0.000 0.444 26 K N -0.160 120.282 120.400 0.070 0.000 2.063 26 K HA -0.201 4.116 4.320 -0.006 0.000 0.208 26 K C 1.899 178.510 176.600 0.018 0.000 1.048 26 K CA 1.773 58.075 56.287 0.025 0.000 0.928 26 K CB -0.175 32.329 32.500 0.007 0.000 0.713 26 K HN 0.640 nan 8.250 nan 0.000 0.442 27 E N -0.695 119.541 120.200 0.060 0.000 2.072 27 E HA -0.224 4.122 4.350 -0.006 0.000 0.191 27 E C 1.858 178.497 176.600 0.066 0.000 0.985 27 E CA 1.291 57.726 56.400 0.059 0.000 0.801 27 E CB -0.221 29.530 29.700 0.085 0.000 0.750 27 E HN 0.379 nan 8.360 nan 0.000 0.452 28 Y N 1.478 121.775 120.300 -0.005 0.000 2.128 28 Y HA -0.231 4.316 4.550 -0.006 0.000 0.284 28 Y C 1.911 177.725 175.900 -0.144 0.000 1.154 28 Y CA 1.487 59.571 58.100 -0.027 0.000 1.149 28 Y CB -0.210 38.252 38.460 0.003 0.000 0.976 28 Y HN -0.055 nan 8.280 nan 0.000 0.505 29 L N -0.018 121.057 121.223 -0.246 0.000 2.056 29 L HA -0.198 4.139 4.340 -0.006 0.000 0.207 29 L C 2.537 179.212 176.870 -0.325 0.000 1.078 29 L CA 1.769 56.354 54.840 -0.425 0.000 0.749 29 L CB -0.567 41.256 42.059 -0.393 0.000 0.901 29 L HN 0.273 nan 8.230 nan 0.000 0.433 30 E N 0.291 120.371 120.200 -0.199 0.000 2.058 30 E HA -0.281 4.065 4.350 -0.006 0.000 0.194 30 E C 1.908 178.418 176.600 -0.151 0.000 0.997 30 E CA 1.730 58.046 56.400 -0.141 0.000 0.801 30 E CB 0.038 29.693 29.700 -0.075 0.000 0.746 30 E HN 0.355 nan 8.360 nan 0.000 0.450 31 N N -0.259 118.343 118.700 -0.164 0.000 2.171 31 N HA -0.153 4.583 4.740 -0.006 0.000 0.184 31 N C 1.748 177.131 175.510 -0.212 0.000 1.021 31 N CA 0.730 53.689 53.050 -0.153 0.000 0.854 31 N CB -0.123 38.297 38.487 -0.111 0.000 0.994 31 N HN 0.113 nan 8.380 nan 0.000 0.426 32 L N 0.943 121.955 121.223 -0.352 0.000 2.046 32 L HA -0.057 4.279 4.340 -0.006 0.000 0.208 32 L C 1.717 178.427 176.870 -0.266 0.000 1.077 32 L CA 1.637 56.260 54.840 -0.361 0.000 0.747 32 L CB -0.993 40.676 42.059 -0.650 0.000 0.896 32 L HN 0.250 nan 8.230 nan 0.000 0.432 33 N N 0.080 118.625 118.700 -0.258 0.000 2.069 33 N HA -0.223 4.514 4.740 -0.006 0.000 0.191 33 N C 1.778 177.186 175.510 -0.170 0.000 1.031 33 N CA 1.719 54.666 53.050 -0.171 0.000 0.852 33 N CB -0.146 38.258 38.487 -0.138 0.000 1.018 33 N HN 0.478 nan 8.380 nan 0.000 0.423 34 K N 0.896 121.208 120.400 -0.146 0.000 2.097 34 K HA -0.153 4.163 4.320 -0.006 0.000 0.206 34 K C 1.941 178.430 176.600 -0.184 0.000 1.049 34 K CA 0.977 57.190 56.287 -0.124 0.000 0.933 34 K CB -0.099 32.351 32.500 -0.084 0.000 0.717 34 K HN 0.311 nan 8.250 nan 0.000 0.442 35 E N 1.334 121.413 120.200 -0.201 0.000 2.077 35 E HA -0.168 4.178 4.350 -0.006 0.000 0.193 35 E C 1.949 178.337 176.600 -0.353 0.000 0.989 35 E CA 0.838 57.097 56.400 -0.236 0.000 0.800 35 E CB -0.015 29.584 29.700 -0.169 0.000 0.746 35 E HN 0.192 nan 8.360 nan 0.000 0.452 36 L N 0.356 121.327 121.223 -0.419 0.000 2.046 36 L HA -0.137 4.199 4.340 -0.006 0.000 0.208 36 L C 2.671 178.870 176.870 -1.118 0.000 1.077 36 L CA 1.011 55.420 54.840 -0.718 0.000 0.747 36 L CB -0.488 41.075 42.059 -0.826 0.000 0.896 36 L HN 0.258 nan 8.230 nan 0.000 0.432 37 A N 0.026 122.265 122.820 -0.968 0.000 1.902 37 A HA -0.265 4.051 4.320 -0.006 0.000 0.217 37 A C 2.304 179.726 177.584 -0.270 0.000 1.181 37 A CA 2.067 53.768 52.037 -0.559 0.000 0.623 37 A CB -0.387 18.572 19.000 -0.069 0.000 0.818 37 A HN 0.210 nan 8.150 nan 0.000 0.443 38 K N -0.108 120.149 120.400 -0.238 0.000 2.057 38 K HA -0.027 4.289 4.320 -0.006 0.000 0.206 38 K C 2.145 178.645 176.600 -0.166 0.000 1.050 38 K CA 1.486 57.685 56.287 -0.147 0.000 0.935 38 K CB -0.260 32.154 32.500 -0.142 0.000 0.715 38 K HN 0.460 nan 8.250 nan 0.000 0.439 39 R N -0.816 119.521 120.500 -0.271 0.000 2.092 39 R HA -0.041 4.295 4.340 -0.006 0.000 0.231 39 R C 2.036 178.233 176.300 -0.171 0.000 1.119 39 R CA 1.762 57.709 56.100 -0.254 0.000 0.970 39 R CB -0.327 29.743 30.300 -0.383 0.000 0.864 39 R HN 0.209 nan 8.270 nan 0.000 0.440 40 T N 0.852 115.267 114.554 -0.231 0.000 2.904 40 T HA -0.120 4.226 4.350 -0.006 0.000 0.267 40 T C 1.532 176.265 174.700 0.055 0.000 1.059 40 T CA 0.984 63.007 62.100 -0.129 0.000 1.137 40 T CB -0.315 68.374 68.868 -0.299 0.000 0.879 40 T HN 0.365 nan 8.240 nan 0.000 0.467 41 N N 1.350 120.104 118.700 0.091 0.000 2.061 41 N HA -0.150 4.586 4.740 -0.006 0.000 0.193 41 N C 1.850 177.469 175.510 0.181 0.000 1.030 41 N CA 1.563 54.735 53.050 0.204 0.000 0.856 41 N CB -0.275 38.308 38.487 0.161 0.000 1.023 41 N HN 0.226 nan 8.380 nan 0.000 0.424 42 V N 1.474 121.441 119.914 0.089 0.000 2.343 42 V HA -0.175 3.941 4.120 -0.006 0.000 0.247 42 V C 2.535 178.698 176.094 0.115 0.000 1.051 42 V CA 1.962 64.311 62.300 0.082 0.000 1.036 42 V CB -0.731 31.103 31.823 0.019 0.000 0.654 42 V HN 0.426 nan 8.190 nan 0.000 0.451 43 E N 0.107 120.367 120.200 0.099 0.000 2.077 43 E HA -0.222 4.124 4.350 -0.006 0.000 0.193 43 E C 2.221 178.940 176.600 0.198 0.000 0.989 43 E CA 1.902 58.378 56.400 0.127 0.000 0.800 43 E CB -0.101 29.659 29.700 0.099 0.000 0.746 43 E HN 0.642 nan 8.360 nan 0.000 0.452 44 T N 1.309 115.992 114.554 0.214 0.000 2.788 44 T HA -0.117 4.229 4.350 -0.006 0.000 0.268 44 T C 1.572 176.512 174.700 0.400 0.000 1.044 44 T CA 1.034 63.288 62.100 0.257 0.000 1.139 44 T CB -0.131 68.763 68.868 0.043 0.000 0.867 44 T HN 0.173 nan 8.240 nan 0.000 0.454 45 E N 1.284 121.739 120.200 0.424 0.000 2.077 45 E HA -0.074 4.272 4.350 -0.006 0.000 0.193 45 E C 2.585 179.394 176.600 0.350 0.000 0.989 45 E CA 1.204 57.868 56.400 0.440 0.000 0.800 45 E CB -0.399 29.457 29.700 0.261 0.000 0.746 45 E HN 0.520 nan 8.360 nan 0.000 0.452 46 A N 1.368 124.347 122.820 0.266 0.000 1.930 46 A HA -0.041 4.276 4.320 -0.006 0.000 0.217 46 A C 2.406 180.153 177.584 0.271 0.000 1.175 46 A CA 1.835 54.004 52.037 0.220 0.000 0.627 46 A CB -0.460 18.632 19.000 0.153 0.000 0.815 46 A HN 0.263 nan 8.150 nan 0.000 0.443 47 A N -1.123 121.901 122.820 0.340 0.000 1.930 47 A HA -0.165 4.151 4.320 -0.006 0.000 0.217 47 A C 2.088 179.927 177.584 0.425 0.000 1.175 47 A CA 1.356 53.660 52.037 0.446 0.000 0.627 47 A CB -0.850 18.478 19.000 0.547 0.000 0.815 47 A HN 0.880 nan 8.150 nan 0.000 0.443 48 W N 0.904 122.224 121.300 0.032 0.000 2.358 48 W HA -0.143 4.514 4.660 -0.004 0.000 0.303 48 W C 2.146 178.566 176.519 -0.166 0.000 1.208 48 W CA 1.964 59.038 57.345 -0.453 0.000 1.274 48 W CB -0.425 28.818 29.460 -0.361 0.000 1.138 48 W HN 0.406 nan 8.180 nan 0.000 0.515 49 A N -0.182 122.726 122.820 0.147 0.000 1.933 49 A HA -0.267 4.049 4.320 -0.006 0.000 0.218 49 A C 1.848 179.444 177.584 0.020 0.000 1.175 49 A CA 1.705 53.783 52.037 0.069 0.000 0.628 49 A CB -1.534 17.566 19.000 0.165 0.000 0.814 49 A HN 0.510 nan 8.150 nan 0.000 0.444 50 Y N 0.609 120.898 120.300 -0.019 0.000 2.184 50 Y HA 0.056 4.602 4.550 -0.007 0.000 0.290 50 Y C 2.425 178.300 175.900 -0.041 0.000 1.129 50 Y CA 1.287 59.386 58.100 -0.002 0.000 1.144 50 Y CB -0.800 37.697 38.460 0.061 0.000 0.995 50 Y HN 0.209 nan 8.280 nan 0.000 0.513 51 G N -1.330 107.391 108.800 -0.133 0.000 2.443 51 G HA2 -0.186 3.770 3.960 -0.006 0.000 0.219 51 G HA3 -0.186 3.770 3.960 -0.006 0.000 0.219 51 G C 1.636 176.317 174.900 -0.364 0.000 1.131 51 G CA 1.047 46.016 45.100 -0.219 0.000 0.775 51 G HN 0.435 nan 8.290 nan 0.000 0.547 52 S N -0.356 115.042 115.700 -0.504 0.000 2.501 52 S HA 0.085 4.551 4.470 -0.006 0.000 0.220 52 S C 0.635 175.060 174.600 -0.292 0.000 0.997 52 S CA 0.130 58.026 58.200 -0.506 0.000 0.919 52 S CB 0.165 62.936 63.200 -0.715 0.000 0.778 52 S HN 0.404 nan 8.310 nan 0.000 0.523 53 N N 0.762 119.314 118.700 -0.247 0.000 2.969 53 N HA 0.204 4.940 4.740 -0.006 0.000 0.230 53 N C -1.561 173.858 175.510 -0.152 0.000 1.397 53 N CA -0.100 52.858 53.050 -0.153 0.000 0.762 53 N CB 0.047 38.480 38.487 -0.089 0.000 1.495 53 N HN 0.036 nan 8.380 nan 0.000 0.583 54 I N 2.429 122.866 120.570 -0.222 0.000 2.483 54 I HA 0.156 4.322 4.170 -0.006 0.000 0.291 54 I C 0.592 176.701 176.117 -0.013 0.000 1.112 54 I CA 0.278 61.421 61.300 -0.263 0.000 1.350 54 I CB 0.183 37.996 38.000 -0.313 0.000 1.419 54 I HN 0.475 nan 8.210 nan 0.000 0.523 55 T N -0.048 114.585 114.554 0.132 0.000 2.883 55 T HA 0.293 4.639 4.350 -0.006 0.000 0.296 55 T C 0.451 175.262 174.700 0.185 0.000 1.117 55 T CA -0.847 61.331 62.100 0.129 0.000 1.006 55 T CB 2.062 70.981 68.868 0.086 0.000 1.191 55 T HN 0.325 nan 8.240 nan 0.000 0.508 56 D N 0.210 120.679 120.400 0.115 0.000 2.178 56 D HA -0.083 4.553 4.640 -0.006 0.000 0.201 56 D C 1.677 178.016 176.300 0.066 0.000 0.980 56 D CA 1.278 55.330 54.000 0.087 0.000 0.842 56 D CB 0.040 40.874 40.800 0.057 0.000 0.948 56 D HN 0.819 nan 8.370 nan 0.000 0.472 57 E N 0.189 120.430 120.200 0.069 0.000 2.047 57 E HA -0.146 4.201 4.350 -0.006 0.000 0.191 57 E C 1.624 178.261 176.600 0.063 0.000 0.987 57 E CA 0.684 57.116 56.400 0.054 0.000 0.799 57 E CB 0.178 29.908 29.700 0.050 0.000 0.752 57 E HN 0.087 nan 8.360 nan 0.000 0.449 58 N N 0.888 119.657 118.700 0.115 0.000 2.188 58 N HA -0.175 4.561 4.740 -0.006 0.000 0.184 58 N C 1.655 177.194 175.510 0.048 0.000 1.018 58 N CA 0.923 54.067 53.050 0.156 0.000 0.858 58 N CB -0.230 38.424 38.487 0.278 0.000 0.989 58 N HN 0.352 nan 8.380 nan 0.000 0.426 59 E N 1.264 121.435 120.200 -0.049 0.000 2.051 59 E HA -0.187 4.159 4.350 -0.006 0.000 0.192 59 E C 1.857 178.320 176.600 -0.229 0.000 0.991 59 E CA 1.089 57.220 56.400 -0.448 0.000 0.799 59 E CB 0.064 29.603 29.700 -0.269 0.000 0.748 59 E HN 0.198 nan 8.360 nan 0.000 0.449 60 K N 0.585 120.931 120.400 -0.090 0.000 2.032 60 K HA -0.199 4.117 4.320 -0.006 0.000 0.209 60 K C 2.177 178.757 176.600 -0.034 0.000 1.048 60 K CA 1.711 57.969 56.287 -0.049 0.000 0.927 60 K CB 0.050 32.543 32.500 -0.013 0.000 0.712 60 K HN -0.003 nan 8.250 nan 0.000 0.441 61 K N 0.614 121.005 120.400 -0.014 0.000 2.026 61 K HA -0.193 4.123 4.320 -0.006 0.000 0.208 61 K C 2.243 178.849 176.600 0.010 0.000 1.048 61 K CA 1.538 57.832 56.287 0.012 0.000 0.929 61 K CB -0.140 32.384 32.500 0.040 0.000 0.713 61 K HN 0.129 nan 8.250 nan 0.000 0.439 62 K N 1.014 121.401 120.400 -0.021 0.000 2.009 62 K HA -0.179 4.137 4.320 -0.006 0.000 0.210 62 K C 1.704 178.295 176.600 -0.014 0.000 1.049 62 K CA 1.723 58.003 56.287 -0.011 0.000 0.929 62 K CB -0.021 32.422 32.500 -0.095 0.000 0.714 62 K HN 0.055 nan 8.250 nan 0.000 0.440 63 N N 1.055 119.714 118.700 -0.068 0.000 2.270 63 N HA -0.112 4.624 4.740 -0.006 0.000 0.181 63 N C 1.462 176.978 175.510 0.009 0.000 1.016 63 N CA 1.076 54.096 53.050 -0.050 0.000 0.870 63 N CB -0.045 38.382 38.487 -0.101 0.000 0.979 63 N HN 0.372 nan 8.380 nan 0.000 0.431 64 E N 0.206 120.413 120.200 0.013 0.000 2.107 64 E HA -0.037 4.309 4.350 -0.006 0.000 0.191 64 E C 1.576 178.211 176.600 0.058 0.000 0.982 64 E CA 0.497 56.918 56.400 0.036 0.000 0.809 64 E CB 0.106 29.820 29.700 0.023 0.000 0.756 64 E HN 0.237 nan 8.360 nan 0.000 0.459 65 I N 0.886 121.489 120.570 0.056 0.000 2.315 65 I HA -0.169 3.997 4.170 -0.006 0.000 0.248 65 I C 2.263 178.435 176.117 0.091 0.000 1.117 65 I CA 1.032 62.369 61.300 0.063 0.000 1.404 65 I CB -1.067 36.971 38.000 0.062 0.000 1.071 65 I HN -0.029 nan 8.210 nan 0.000 0.419 66 S N 1.214 116.988 115.700 0.124 0.000 2.368 66 S HA -0.108 4.358 4.470 -0.006 0.000 0.225 66 S C 2.268 177.050 174.600 0.302 0.000 1.030 66 S CA 1.344 59.666 58.200 0.203 0.000 0.999 66 S CB -0.264 63.064 63.200 0.213 0.000 0.844 66 S HN 0.543 nan 8.310 nan 0.000 0.459 67 A N 1.247 124.248 122.820 0.301 0.000 1.933 67 A HA -0.173 4.143 4.320 -0.006 0.000 0.218 67 A C 2.017 179.681 177.584 0.133 0.000 1.175 67 A CA 1.790 54.011 52.037 0.306 0.000 0.628 67 A CB -0.581 18.555 19.000 0.227 0.000 0.814 67 A HN 0.606 nan 8.150 nan 0.000 0.444 68 E N -0.684 119.575 120.200 0.099 0.000 2.047 68 E HA -0.188 4.158 4.350 -0.006 0.000 0.191 68 E C 1.896 178.533 176.600 0.061 0.000 0.987 68 E CA 1.291 57.728 56.400 0.062 0.000 0.799 68 E CB -0.193 29.529 29.700 0.037 0.000 0.752 68 E HN 0.451 nan 8.360 nan 0.000 0.449 69 L N 0.715 121.972 121.223 0.058 0.000 2.093 69 L HA -0.054 4.282 4.340 -0.006 0.000 0.208 69 L C 2.205 179.110 176.870 0.059 0.000 1.085 69 L CA 2.073 56.949 54.840 0.060 0.000 0.755 69 L CB -0.654 41.429 42.059 0.040 0.000 0.904 69 L HN 0.178 nan 8.230 nan 0.000 0.435 70 A N -0.593 122.208 122.820 -0.033 0.000 1.902 70 A HA -0.276 4.040 4.320 -0.006 0.000 0.217 70 A C 2.461 179.968 177.584 -0.129 0.000 1.181 70 A CA 2.002 53.913 52.037 -0.210 0.000 0.623 70 A CB -0.632 17.954 19.000 -0.690 0.000 0.818 70 A HN 0.494 nan 8.150 nan 0.000 0.443 71 K N -1.646 118.725 120.400 -0.049 0.000 2.057 71 K HA -0.170 4.146 4.320 -0.006 0.000 0.207 71 K C 1.769 178.392 176.600 0.038 0.000 1.049 71 K CA 1.698 57.982 56.287 -0.005 0.000 0.931 71 K CB -0.309 32.211 32.500 0.033 0.000 0.714 71 K HN 0.442 nan 8.250 nan 0.000 0.440 72 F N 1.025 120.938 119.950 -0.061 0.000 2.186 72 F HA -0.183 4.340 4.527 -0.007 0.000 0.299 72 F C 1.941 177.706 175.800 -0.058 0.000 1.090 72 F CA 1.138 59.105 58.000 -0.055 0.000 1.307 72 F CB -0.041 38.919 39.000 -0.067 0.000 1.019 72 F HN 0.005 nan 8.300 nan 0.000 0.489 73 M N 0.489 120.043 119.600 -0.076 0.000 2.117 73 M HA -0.203 4.273 4.480 -0.006 0.000 0.262 73 M C 2.106 178.300 176.300 -0.176 0.000 1.065 73 M CA 1.508 56.716 55.300 -0.154 0.000 1.114 73 M CB -1.307 31.252 32.600 -0.069 0.000 1.361 73 M HN 0.134 nan 8.290 nan 0.000 0.408 74 K N -0.099 120.220 120.400 -0.135 0.000 2.032 74 K HA -0.217 4.100 4.320 -0.006 0.000 0.209 74 K C 2.044 178.573 176.600 -0.119 0.000 1.048 74 K CA 1.588 57.812 56.287 -0.105 0.000 0.927 74 K CB -0.210 32.243 32.500 -0.080 0.000 0.712 74 K HN 0.416 nan 8.250 nan 0.000 0.441 75 E N 0.482 120.579 120.200 -0.172 0.000 2.077 75 E HA -0.176 4.170 4.350 -0.006 0.000 0.193 75 E C 1.940 178.418 176.600 -0.202 0.000 0.989 75 E CA 1.098 57.391 56.400 -0.179 0.000 0.800 75 E CB 0.183 29.758 29.700 -0.209 0.000 0.746 75 E HN 0.036 nan 8.360 nan 0.000 0.452 76 V N 1.233 120.940 119.914 -0.345 0.000 2.261 76 V HA -0.294 3.822 4.120 -0.006 0.000 0.246 76 V C 2.473 178.532 176.094 -0.058 0.000 1.047 76 V CA 1.930 64.088 62.300 -0.237 0.000 1.015 76 V CB -0.893 30.716 31.823 -0.358 0.000 0.642 76 V HN 0.437 nan 8.190 nan 0.000 0.446 77 A N -0.607 122.170 122.820 -0.071 0.000 1.917 77 A HA -0.285 4.032 4.320 -0.006 0.000 0.219 77 A C 2.571 180.174 177.584 0.032 0.000 1.182 77 A CA 2.480 54.513 52.037 -0.007 0.000 0.633 77 A CB -0.896 18.090 19.000 -0.024 0.000 0.819 77 A HN 0.511 nan 8.150 nan 0.000 0.448 78 S N -0.372 115.328 115.700 0.001 0.000 2.368 78 S HA -0.199 4.267 4.470 -0.006 0.000 0.225 78 S C 1.647 176.273 174.600 0.043 0.000 1.030 78 S CA 1.759 59.965 58.200 0.011 0.000 0.999 78 S CB -0.535 62.656 63.200 -0.016 0.000 0.844 78 S HN 0.561 nan 8.310 nan 0.000 0.459 79 D N 0.709 121.147 120.400 0.062 0.000 2.218 79 D HA -0.056 4.580 4.640 -0.006 0.000 0.204 79 D C 2.240 178.679 176.300 0.232 0.000 0.976 79 D CA 1.610 55.678 54.000 0.114 0.000 0.853 79 D CB -0.738 40.163 40.800 0.169 0.000 0.939 79 D HN 0.729 nan 8.370 nan 0.000 0.481 80 T N -1.623 113.103 114.554 0.285 0.000 2.881 80 T HA -0.159 4.187 4.350 -0.006 0.000 0.270 80 T C 1.933 176.855 174.700 0.369 0.000 1.068 80 T CA 1.787 64.150 62.100 0.437 0.000 1.131 80 T CB -0.755 68.327 68.868 0.357 0.000 0.871 80 T HN 0.172 nan 8.240 nan 0.000 0.479 81 T N -0.569 114.104 114.554 0.199 0.000 3.072 81 T HA 0.131 4.478 4.350 -0.006 0.000 0.266 81 T C 1.660 176.356 174.700 -0.006 0.000 1.127 81 T CA 0.451 62.604 62.100 0.089 0.000 1.107 81 T CB -0.404 68.485 68.868 0.035 0.000 0.910 81 T HN 0.480 nan 8.240 nan 0.000 0.513 82 K N -0.135 120.239 120.400 -0.044 0.000 2.418 82 K HA 0.244 4.560 4.320 -0.006 0.000 0.195 82 K C -0.457 175.892 176.600 -0.419 0.000 1.035 82 K CA 0.190 56.327 56.287 -0.251 0.000 1.003 82 K CB 0.101 32.388 32.500 -0.355 0.000 0.793 82 K HN 0.384 nan 8.250 nan 0.000 0.494 83 F N 1.310 121.197 119.950 -0.105 0.000 2.443 83 F HA 0.191 4.715 4.527 -0.005 0.000 0.335 83 F C 0.741 176.370 175.800 -0.284 0.000 1.104 83 F CA -1.026 56.876 58.000 -0.164 0.000 1.013 83 F CB 1.380 40.205 39.000 -0.291 0.000 1.136 83 F HN -0.227 nan 8.300 nan 0.000 0.470 84 Q N 4.719 124.428 119.800 -0.151 0.000 2.945 84 Q HA -0.040 4.296 4.340 -0.006 0.000 0.323 84 Q C 1.290 176.781 176.000 -0.849 0.000 1.188 84 Q CA -0.107 55.471 55.803 -0.377 0.000 0.929 84 Q CB -0.376 28.246 28.738 -0.194 0.000 1.531 84 Q HN 0.911 nan 8.270 nan 0.000 0.444 85 W N -0.025 120.681 121.300 -0.991 0.000 2.374 85 W HA -0.120 4.537 4.660 -0.006 0.000 0.288 85 W C 0.750 176.791 176.519 -0.796 0.000 1.218 85 W CA 0.222 56.715 57.345 -1.420 0.000 1.245 85 W CB -0.475 28.244 29.460 -1.235 0.000 1.126 85 W HN 0.242 nan 8.180 nan 0.000 0.545 86 R N 0.880 120.759 120.500 -1.034 0.000 2.241 86 R HA -0.063 4.273 4.340 -0.006 0.000 0.224 86 R C 2.140 178.230 176.300 -0.350 0.000 1.101 86 R CA 1.515 57.188 56.100 -0.711 0.000 0.995 86 R CB -0.271 29.506 30.300 -0.872 0.000 0.870 86 R HN 0.064 nan 8.270 nan 0.000 0.463 87 S N -0.385 115.098 115.700 -0.362 0.000 2.593 87 S HA 0.077 4.543 4.470 -0.006 0.000 0.217 87 S C -0.178 174.465 174.600 0.072 0.000 0.966 87 S CA 0.022 58.139 58.200 -0.139 0.000 0.914 87 S CB 0.052 63.180 63.200 -0.120 0.000 0.776 87 S HN 0.131 nan 8.310 nan 0.000 0.523 88 Y N 2.511 122.818 120.300 0.013 0.000 2.357 88 Y HA 0.225 4.771 4.550 -0.006 0.000 0.340 88 Y C 1.733 177.667 175.900 0.055 0.000 1.260 88 Y CA -1.357 56.775 58.100 0.053 0.000 1.425 88 Y CB 0.312 38.834 38.460 0.103 0.000 1.326 88 Y HN 0.048 nan 8.280 nan 0.000 0.580 89 Q N 0.511 120.440 119.800 0.216 0.000 2.137 89 Q HA -0.053 4.283 4.340 -0.006 0.000 0.198 89 Q C 0.677 176.752 176.000 0.126 0.000 0.960 89 Q CA 0.590 56.468 55.803 0.125 0.000 0.847 89 Q CB -0.134 28.648 28.738 0.074 0.000 0.915 89 Q HN 0.539 nan 8.270 nan 0.000 0.448 90 S N 1.531 117.319 115.700 0.145 0.000 2.455 90 S HA 0.024 4.490 4.470 -0.006 0.000 0.278 90 S C 1.043 175.747 174.600 0.173 0.000 1.216 90 S CA -0.377 57.903 58.200 0.133 0.000 1.055 90 S CB 0.557 63.823 63.200 0.110 0.000 0.939 90 S HN 0.058 nan 8.310 nan 0.000 0.494 91 E N 3.758 124.037 120.200 0.132 0.000 2.118 91 E HA -0.165 4.181 4.350 -0.006 0.000 0.195 91 E C 1.329 178.018 176.600 0.149 0.000 0.992 91 E CA 1.273 57.752 56.400 0.131 0.000 0.804 91 E CB -0.212 29.538 29.700 0.084 0.000 0.741 91 E HN 0.862 nan 8.360 nan 0.000 0.458 92 D N 0.518 121.003 120.400 0.141 0.000 2.097 92 D HA -0.100 4.536 4.640 -0.006 0.000 0.197 92 D C 2.133 178.546 176.300 0.190 0.000 0.984 92 D CA 0.801 54.904 54.000 0.172 0.000 0.826 92 D CB -0.095 40.793 40.800 0.148 0.000 0.973 92 D HN 0.086 nan 8.370 nan 0.000 0.460 93 L N 0.000 121.340 121.223 0.194 0.000 2.056 93 L HA -0.117 4.219 4.340 -0.006 0.000 0.207 93 L C 2.560 179.651 176.870 0.367 0.000 1.078 93 L CA 1.081 56.075 54.840 0.256 0.000 0.749 93 L CB -0.443 41.806 42.059 0.317 0.000 0.901 93 L HN 0.037 nan 8.230 nan 0.000 0.433 94 K N -0.044 120.580 120.400 0.374 0.000 2.063 94 K HA -0.223 4.093 4.320 -0.006 0.000 0.208 94 K C 2.258 178.963 176.600 0.175 0.000 1.048 94 K CA 1.322 57.842 56.287 0.389 0.000 0.928 94 K CB -0.196 32.543 32.500 0.398 0.000 0.713 94 K HN 0.194 nan 8.250 nan 0.000 0.442 95 R N 1.460 122.055 120.500 0.158 0.000 2.081 95 R HA -0.159 4.177 4.340 -0.006 0.000 0.235 95 R C 2.187 178.502 176.300 0.024 0.000 1.131 95 R CA 1.533 57.700 56.100 0.113 0.000 0.960 95 R CB 0.042 30.448 30.300 0.177 0.000 0.856 95 R HN 0.265 nan 8.270 nan 0.000 0.436 96 Q N -0.713 119.065 119.800 -0.037 0.000 2.050 96 Q HA -0.170 4.166 4.340 -0.006 0.000 0.202 96 Q C 1.980 177.750 176.000 -0.383 0.000 0.980 96 Q CA 1.713 57.343 55.803 -0.288 0.000 0.840 96 Q CB -0.148 28.339 28.738 -0.419 0.000 0.898 96 Q HN 0.297 nan 8.270 nan 0.000 0.424 97 F N 1.240 120.928 119.950 -0.436 0.000 2.126 97 F HA -0.203 4.321 4.527 -0.006 0.000 0.299 97 F C 2.412 177.634 175.800 -0.962 0.000 1.096 97 F CA 1.394 58.933 58.000 -0.769 0.000 1.255 97 F CB -0.134 38.183 39.000 -1.138 0.000 0.997 97 F HN -0.025 nan 8.300 nan 0.000 0.479 98 K N 0.154 120.103 120.400 -0.753 0.000 2.057 98 K HA -0.179 4.137 4.320 -0.006 0.000 0.207 98 K C 2.280 178.749 176.600 -0.219 0.000 1.049 98 K CA 1.181 57.174 56.287 -0.489 0.000 0.931 98 K CB -0.339 32.052 32.500 -0.183 0.000 0.714 98 K HN 0.202 nan 8.250 nan 0.000 0.440 99 A N 1.114 123.824 122.820 -0.185 0.000 1.908 99 A HA -0.161 4.155 4.320 -0.006 0.000 0.218 99 A C 2.019 179.521 177.584 -0.137 0.000 1.181 99 A CA 1.446 53.404 52.037 -0.131 0.000 0.627 99 A CB -0.631 18.286 19.000 -0.137 0.000 0.818 99 A HN 0.332 nan 8.150 nan 0.000 0.445 100 L N 0.030 121.137 121.223 -0.193 0.000 2.376 100 L HA -0.096 4.240 4.340 -0.006 0.000 0.219 100 L C 2.685 179.501 176.870 -0.090 0.000 1.133 100 L CA 1.420 56.169 54.840 -0.152 0.000 0.816 100 L CB -0.606 41.330 42.059 -0.206 0.000 0.933 100 L HN 0.655 nan 8.230 nan 0.000 0.449 101 T N -3.624 110.879 114.554 -0.085 0.000 3.055 101 T HA -0.067 4.279 4.350 -0.006 0.000 0.265 101 T C 0.962 175.665 174.700 0.005 0.000 1.111 101 T CA 0.198 62.293 62.100 -0.009 0.000 1.118 101 T CB -0.179 68.721 68.868 0.053 0.000 0.909 101 T HN 0.125 nan 8.240 nan 0.000 0.501 102 K N 1.495 121.895 120.400 -0.000 0.000 2.183 102 K HA 0.385 4.701 4.320 -0.006 0.000 0.272 102 K C 0.588 177.199 176.600 0.019 0.000 1.113 102 K CA -0.257 56.054 56.287 0.040 0.000 0.949 102 K CB 0.522 33.058 32.500 0.059 0.000 1.365 102 K HN 0.249 nan 8.250 nan 0.000 0.420 103 L N 1.677 122.914 121.223 0.022 0.000 2.240 103 L HA -0.052 4.284 4.340 -0.006 0.000 0.211 103 L C 1.447 178.319 176.870 0.004 0.000 1.106 103 L CA 0.822 55.662 54.840 -0.001 0.000 0.793 103 L CB -0.578 41.476 42.059 -0.007 0.000 0.927 103 L HN 1.022 nan 8.230 nan 0.000 0.446 104 G N -0.213 108.602 108.800 0.025 0.000 2.611 104 G HA2 -0.410 3.546 3.960 -0.006 0.000 0.301 104 G HA3 -0.410 3.546 3.960 -0.006 0.000 0.301 104 G C 0.408 175.365 174.900 0.094 0.000 1.233 104 G CA 0.687 45.775 45.100 -0.020 0.000 0.993 104 G HN 0.097 nan 8.290 nan 0.000 0.553 105 Y N 0.983 121.336 120.300 0.088 0.000 2.333 105 Y HA 0.147 4.693 4.550 -0.006 0.000 0.290 105 Y C 3.264 179.200 175.900 0.061 0.000 1.144 105 Y CA 1.440 59.635 58.100 0.158 0.000 1.228 105 Y CB -1.263 37.399 38.460 0.336 0.000 0.985 105 Y HN 0.706 nan 8.280 nan 0.000 0.542 106 A N -0.105 122.736 122.820 0.035 0.000 2.225 106 A HA 0.036 4.352 4.320 -0.006 0.000 0.215 106 A C 2.397 179.902 177.584 -0.132 0.000 1.164 106 A CA 1.195 53.083 52.037 -0.249 0.000 0.710 106 A CB -0.849 18.031 19.000 -0.200 0.000 0.780 106 A HN 0.346 nan 8.150 nan 0.000 0.473 107 A N -0.567 122.245 122.820 -0.015 0.000 2.067 107 A HA 0.303 4.619 4.320 -0.006 0.000 0.217 107 A C 1.010 178.600 177.584 0.010 0.000 1.156 107 A CA 0.036 52.072 52.037 -0.001 0.000 0.683 107 A CB -0.337 18.679 19.000 0.028 0.000 0.808 107 A HN 0.457 nan 8.150 nan 0.000 0.455 108 L N 0.766 122.017 121.223 0.046 0.000 2.461 108 L HA 0.160 4.496 4.340 -0.006 0.000 0.272 108 L C -2.113 174.784 176.870 0.045 0.000 1.197 108 L CA -1.771 53.109 54.840 0.068 0.000 0.836 108 L CB 0.251 42.398 42.059 0.147 0.000 1.105 108 L HN 0.069 nan 8.230 nan 0.000 0.477 109 P HA -0.054 nan 4.420 nan 0.000 0.268 109 P C 0.423 177.762 177.300 0.065 0.000 1.208 109 P CA -0.076 63.044 63.100 0.034 0.000 0.777 109 P CB 0.507 32.221 31.700 0.024 0.000 0.875 110 E N 1.478 121.710 120.200 0.054 0.000 2.108 110 E HA -0.334 4.012 4.350 -0.006 0.000 0.203 110 E C 0.819 177.480 176.600 0.101 0.000 1.022 110 E CA 1.908 58.357 56.400 0.081 0.000 0.823 110 E CB -0.128 29.603 29.700 0.052 0.000 0.744 110 E HN 0.397 nan 8.360 nan 0.000 0.456 111 D N 0.356 120.793 120.400 0.062 0.000 2.144 111 D HA -0.128 4.509 4.640 -0.006 0.000 0.200 111 D C 1.594 177.918 176.300 0.039 0.000 0.978 111 D CA 0.967 54.993 54.000 0.043 0.000 0.833 111 D CB -0.368 40.446 40.800 0.024 0.000 0.961 111 D HN 0.246 nan 8.370 nan 0.000 0.470 112 D N -0.392 120.036 120.400 0.047 0.000 2.144 112 D HA -0.159 4.477 4.640 -0.006 0.000 0.200 112 D C 1.907 178.233 176.300 0.043 0.000 0.978 112 D CA 0.586 54.604 54.000 0.030 0.000 0.833 112 D CB -0.346 40.471 40.800 0.028 0.000 0.961 112 D HN 0.264 nan 8.370 nan 0.000 0.470 113 Y N 1.662 121.947 120.300 -0.024 0.000 2.200 113 Y HA -0.126 4.420 4.550 -0.007 0.000 0.290 113 Y C 2.273 178.161 175.900 -0.020 0.000 1.137 113 Y CA 1.451 59.539 58.100 -0.020 0.000 1.163 113 Y CB -0.361 38.108 38.460 0.014 0.000 0.988 113 Y HN -0.059 nan 8.280 nan 0.000 0.518 114 A N 0.009 122.827 122.820 -0.003 0.000 1.902 114 A HA -0.242 4.074 4.320 -0.006 0.000 0.217 114 A C 2.240 179.753 177.584 -0.118 0.000 1.181 114 A CA 1.884 53.877 52.037 -0.074 0.000 0.623 114 A CB -0.890 18.114 19.000 0.007 0.000 0.818 114 A HN 0.628 nan 8.150 nan 0.000 0.443 115 E N -0.669 119.482 120.200 -0.082 0.000 2.077 115 E HA -0.201 4.145 4.350 -0.006 0.000 0.193 115 E C 1.910 178.439 176.600 -0.118 0.000 0.989 115 E CA 1.331 57.684 56.400 -0.078 0.000 0.800 115 E CB -0.185 29.485 29.700 -0.049 0.000 0.746 115 E HN 0.446 nan 8.360 nan 0.000 0.452 116 L N 0.982 122.099 121.223 -0.177 0.000 2.017 116 L HA -0.153 4.183 4.340 -0.006 0.000 0.208 116 L C 2.146 178.870 176.870 -0.243 0.000 1.073 116 L CA 1.525 56.231 54.840 -0.224 0.000 0.745 116 L CB -0.489 41.371 42.059 -0.332 0.000 0.894 116 L HN 0.227 nan 8.230 nan 0.000 0.432 117 L N -0.638 120.379 121.223 -0.343 0.000 2.042 117 L HA -0.240 4.096 4.340 -0.006 0.000 0.210 117 L C 2.266 179.037 176.870 -0.165 0.000 1.076 117 L CA 1.480 56.149 54.840 -0.285 0.000 0.749 117 L CB -0.834 41.013 42.059 -0.352 0.000 0.893 117 L HN 0.298 nan 8.230 nan 0.000 0.432 118 D N -0.759 119.560 120.400 -0.136 0.000 2.144 118 D HA -0.139 4.497 4.640 -0.006 0.000 0.199 118 D C 2.177 178.444 176.300 -0.055 0.000 0.984 118 D CA 1.540 55.490 54.000 -0.084 0.000 0.834 118 D CB -0.161 40.602 40.800 -0.063 0.000 0.955 118 D HN 0.266 nan 8.370 nan 0.000 0.465 119 T N 0.990 115.508 114.554 -0.059 0.000 2.737 119 T HA -0.042 4.304 4.350 -0.006 0.000 0.265 119 T C 2.237 176.918 174.700 -0.032 0.000 1.038 119 T CA 0.512 62.597 62.100 -0.026 0.000 1.144 119 T CB -0.226 68.635 68.868 -0.012 0.000 0.866 119 T HN 0.116 nan 8.240 nan 0.000 0.434 120 L N 1.540 122.723 121.223 -0.067 0.000 2.046 120 L HA -0.114 4.223 4.340 -0.006 0.000 0.208 120 L C 2.930 179.784 176.870 -0.025 0.000 1.077 120 L CA 1.490 56.283 54.840 -0.078 0.000 0.747 120 L CB -0.741 41.273 42.059 -0.074 0.000 0.896 120 L HN 0.382 nan 8.230 nan 0.000 0.432 121 S N -0.104 115.586 115.700 -0.016 0.000 2.406 121 S HA -0.085 4.381 4.470 -0.006 0.000 0.228 121 S C 2.175 176.831 174.600 0.095 0.000 1.020 121 S CA 0.669 58.896 58.200 0.046 0.000 0.965 121 S CB -0.400 62.755 63.200 -0.074 0.000 0.798 121 S HN 0.346 nan 8.310 nan 0.000 0.488 122 A N 2.312 125.162 122.820 0.050 0.000 1.908 122 A HA 0.024 4.341 4.320 -0.006 0.000 0.218 122 A C 2.359 179.990 177.584 0.079 0.000 1.181 122 A CA 1.745 53.821 52.037 0.065 0.000 0.627 122 A CB -0.753 18.273 19.000 0.043 0.000 0.818 122 A HN 0.563 nan 8.150 nan 0.000 0.445 123 M N -1.500 118.136 119.600 0.059 0.000 2.123 123 M HA -0.122 4.354 4.480 -0.006 0.000 0.263 123 M C 2.276 178.627 176.300 0.085 0.000 1.069 123 M CA 1.890 57.229 55.300 0.065 0.000 1.133 123 M CB -0.406 32.209 32.600 0.025 0.000 1.356 123 M HN 0.619 nan 8.290 nan 0.000 0.415 124 E N 0.463 120.702 120.200 0.065 0.000 2.072 124 E HA -0.180 4.166 4.350 -0.006 0.000 0.191 124 E C 1.991 178.716 176.600 0.209 0.000 0.985 124 E CA 1.769 58.231 56.400 0.102 0.000 0.801 124 E CB 0.124 29.876 29.700 0.088 0.000 0.750 124 E HN 0.507 nan 8.360 nan 0.000 0.452 125 S N 0.617 116.436 115.700 0.198 0.000 2.383 125 S HA -0.191 4.276 4.470 -0.006 0.000 0.227 125 S C 1.919 176.605 174.600 0.143 0.000 1.026 125 S CA 1.155 59.459 58.200 0.172 0.000 0.981 125 S CB -0.564 62.761 63.200 0.209 0.000 0.818 125 S HN 0.327 nan 8.310 nan 0.000 0.472 126 N N 0.925 119.706 118.700 0.136 0.000 2.043 126 N HA -0.190 4.546 4.740 -0.006 0.000 0.193 126 N C 1.652 177.228 175.510 0.111 0.000 1.037 126 N CA 1.722 54.832 53.050 0.100 0.000 0.851 126 N CB -0.495 38.042 38.487 0.083 0.000 1.027 126 N HN 0.496 nan 8.380 nan 0.000 0.422 127 F N 1.666 121.637 119.950 0.035 0.000 2.095 127 F HA -0.135 4.389 4.527 -0.006 0.000 0.298 127 F C 2.453 178.330 175.800 0.129 0.000 1.104 127 F CA 1.932 59.973 58.000 0.069 0.000 1.232 127 F CB -0.507 38.556 39.000 0.105 0.000 0.987 127 F HN 0.139 nan 8.300 nan 0.000 0.475 128 A N -0.458 122.556 122.820 0.323 0.000 2.015 128 A HA -0.138 4.178 4.320 -0.006 0.000 0.219 128 A C 2.010 179.636 177.584 0.069 0.000 1.163 128 A CA 1.432 53.596 52.037 0.212 0.000 0.646 128 A CB -0.531 18.582 19.000 0.187 0.000 0.806 128 A HN 0.472 nan 8.150 nan 0.000 0.448 129 K N -0.292 120.137 120.400 0.047 0.000 2.374 129 K HA 0.231 4.547 4.320 -0.006 0.000 0.196 129 K C -0.379 176.222 176.600 0.000 0.000 1.023 129 K CA -0.255 56.045 56.287 0.022 0.000 1.103 129 K CB 0.487 33.005 32.500 0.030 0.000 0.848 129 K HN 0.232 nan 8.250 nan 0.000 0.528 130 V N 3.168 123.061 119.914 -0.035 0.000 2.540 130 V HA -0.042 4.074 4.120 -0.006 0.000 0.297 130 V C 0.230 176.333 176.094 0.015 0.000 1.024 130 V CA 0.555 62.829 62.300 -0.044 0.000 1.105 130 V CB 0.290 32.036 31.823 -0.129 0.000 0.938 130 V HN 0.125 nan 8.190 nan 0.000 0.482 131 K N 4.072 124.488 120.400 0.027 0.000 2.427 131 K HA 0.701 5.017 4.320 -0.006 0.000 0.252 131 K C -0.787 175.857 176.600 0.073 0.000 0.931 131 K CA -0.517 55.803 56.287 0.054 0.000 0.793 131 K CB 2.432 34.959 32.500 0.045 0.000 1.211 131 K HN 0.540 nan 8.250 nan 0.000 0.426 132 V N -1.753 118.229 119.914 0.114 0.000 3.046 132 V HA 0.610 4.726 4.120 -0.006 0.000 0.316 132 V C -0.074 176.132 176.094 0.187 0.000 1.104 132 V CA -0.920 61.465 62.300 0.142 0.000 1.006 132 V CB 1.785 33.715 31.823 0.180 0.000 1.058 132 V HN 0.792 nan 8.190 nan 0.000 0.440 133 c N 2.256 120.980 118.600 0.206 0.000 2.463 133 c HA 0.383 4.949 4.570 -0.006 0.000 0.380 133 c C 0.444 174.730 174.090 0.327 0.000 1.264 133 c CA -0.143 56.320 56.329 0.223 0.000 2.161 133 c CB 0.020 42.638 42.510 0.180 0.000 2.515 133 c HN 1.018 nan 8.230 nan 0.000 0.565 134 D N 0.380 120.930 120.400 0.251 0.000 2.488 134 D HA -0.088 4.548 4.640 -0.006 0.000 0.238 134 D C 0.564 176.937 176.300 0.122 0.000 1.138 134 D CA 0.278 54.445 54.000 0.278 0.000 0.873 134 D CB 0.355 41.258 40.800 0.172 0.000 1.183 134 D HN 0.690 nan 8.370 nan 0.000 0.458 135 Y N 4.347 124.590 120.300 -0.096 0.000 2.256 135 Y HA -0.163 4.383 4.550 -0.006 0.000 0.288 135 Y C 1.674 177.373 175.900 -0.337 0.000 1.155 135 Y CA 1.687 59.420 58.100 -0.610 0.000 1.203 135 Y CB 0.259 38.415 38.460 -0.507 0.000 0.980 135 Y HN 0.396 nan 8.280 nan 0.000 0.530 136 K N -0.942 119.356 120.400 -0.171 0.000 2.361 136 K HA 0.054 4.371 4.320 -0.006 0.000 0.194 136 K C -0.355 176.162 176.600 -0.138 0.000 1.032 136 K CA 0.620 56.782 56.287 -0.210 0.000 1.048 136 K CB 0.531 32.993 32.500 -0.063 0.000 0.842 136 K HN 0.027 nan 8.250 nan 0.000 0.526 137 D N 0.050 120.402 120.400 -0.080 0.000 2.319 137 D HA 0.022 4.658 4.640 -0.006 0.000 0.237 137 D C 0.181 176.474 176.300 -0.012 0.000 1.353 137 D CA -0.221 53.756 54.000 -0.039 0.000 0.992 137 D CB 1.019 41.818 40.800 -0.002 0.000 1.368 137 D HN -0.017 nan 8.370 nan 0.000 0.564 138 S N 0.821 116.503 115.700 -0.030 0.000 2.603 138 S HA -0.064 4.402 4.470 -0.006 0.000 0.229 138 S C 1.354 175.967 174.600 0.021 0.000 0.972 138 S CA 0.587 58.789 58.200 0.004 0.000 0.935 138 S CB -0.025 63.168 63.200 -0.011 0.000 0.769 138 S HN 0.355 nan 8.310 nan 0.000 0.536 139 T N 1.267 115.830 114.554 0.015 0.000 2.976 139 T HA 0.126 4.472 4.350 -0.006 0.000 0.257 139 T C 0.775 175.495 174.700 0.033 0.000 1.051 139 T CA 0.516 62.628 62.100 0.020 0.000 1.141 139 T CB -0.094 68.781 68.868 0.011 0.000 0.881 139 T HN 0.396 nan 8.240 nan 0.000 0.461 140 K N 1.650 122.075 120.400 0.041 0.000 2.262 140 K HA 0.238 4.554 4.320 -0.006 0.000 0.288 140 K C -0.937 175.710 176.600 0.079 0.000 1.090 140 K CA -0.253 56.067 56.287 0.055 0.000 0.918 140 K CB -0.065 32.470 32.500 0.058 0.000 1.139 140 K HN 0.213 nan 8.250 nan 0.000 0.462 141 c N 3.898 122.541 118.600 0.071 0.000 2.751 141 c HA 0.164 4.730 4.570 -0.006 0.000 0.248 141 c C -0.043 174.091 174.090 0.074 0.000 1.710 141 c CA -0.776 55.603 56.329 0.083 0.000 1.676 141 c CB -0.830 41.722 42.510 0.071 0.000 3.106 141 c HN 0.812 nan 8.230 nan 0.000 0.502 142 D N -0.590 119.853 120.400 0.072 0.000 2.623 142 D HA 0.182 4.818 4.640 -0.006 0.000 0.252 142 D C -0.225 176.111 176.300 0.060 0.000 1.294 142 D CA -0.248 53.785 54.000 0.056 0.000 0.824 142 D CB -0.049 40.776 40.800 0.042 0.000 1.070 142 D HN 0.179 nan 8.370 nan 0.000 0.487 143 L N 1.492 122.766 121.223 0.085 0.000 2.278 143 L HA 0.549 4.885 4.340 -0.006 0.000 0.287 143 L C 0.639 177.545 176.870 0.061 0.000 1.072 143 L CA -0.302 54.585 54.840 0.078 0.000 0.819 143 L CB 1.153 43.292 42.059 0.132 0.000 1.176 143 L HN 0.144 nan 8.230 nan 0.000 0.435 144 A N 2.638 125.474 122.820 0.027 0.000 2.279 144 A HA 0.451 4.768 4.320 -0.006 0.000 0.303 144 A C 0.990 178.558 177.584 -0.026 0.000 1.108 144 A CA -0.537 51.509 52.037 0.015 0.000 0.830 144 A CB 0.539 19.546 19.000 0.012 0.000 1.106 144 A HN 0.730 nan 8.150 nan 0.000 0.493 145 L N 0.109 121.304 121.223 -0.048 0.000 2.013 145 L HA -0.084 4.252 4.340 -0.006 0.000 0.212 145 L C 0.461 177.274 176.870 -0.095 0.000 1.073 145 L CA 2.277 57.020 54.840 -0.162 0.000 0.753 145 L CB -0.180 41.744 42.059 -0.224 0.000 0.890 145 L HN 0.724 nan 8.230 nan 0.000 0.432 146 D N -1.116 119.271 120.400 -0.023 0.000 2.392 146 D HA 0.275 4.911 4.640 -0.006 0.000 0.228 146 D C -1.993 174.304 176.300 -0.005 0.000 1.074 146 D CA -2.222 51.776 54.000 -0.003 0.000 0.838 146 D CB 1.622 42.442 40.800 0.033 0.000 1.067 146 D HN 0.136 nan 8.370 nan 0.000 0.511 147 P HA 0.155 nan 4.420 nan 0.000 0.268 147 P C 0.675 177.940 177.300 -0.059 0.000 1.248 147 P CA 0.146 63.230 63.100 -0.028 0.000 0.851 147 P CB 1.139 32.831 31.700 -0.014 0.000 1.238 148 E N 0.763 120.926 120.200 -0.062 0.000 2.031 148 E HA -0.114 4.232 4.350 -0.006 0.000 0.193 148 E C 2.034 178.525 176.600 -0.182 0.000 0.994 148 E CA 1.389 57.736 56.400 -0.088 0.000 0.800 148 E CB -0.923 28.749 29.700 -0.046 0.000 0.752 148 E HN 0.251 nan 8.360 nan 0.000 0.447 149 I N 0.667 121.112 120.570 -0.208 0.000 2.286 149 I HA -0.201 3.966 4.170 -0.006 0.000 0.245 149 I C 2.153 178.083 176.117 -0.311 0.000 1.104 149 I CA 1.064 62.163 61.300 -0.334 0.000 1.397 149 I CB -0.316 37.514 38.000 -0.283 0.000 1.072 149 I HN 0.089 nan 8.210 nan 0.000 0.417 150 E N 0.723 120.781 120.200 -0.237 0.000 2.153 150 E HA -0.276 4.070 4.350 -0.006 0.000 0.194 150 E C 2.065 178.587 176.600 -0.130 0.000 0.988 150 E CA 1.135 57.428 56.400 -0.178 0.000 0.811 150 E CB -0.076 29.566 29.700 -0.098 0.000 0.746 150 E HN 0.471 nan 8.360 nan 0.000 0.466 151 E N 0.465 120.590 120.200 -0.125 0.000 2.051 151 E HA -0.183 4.163 4.350 -0.006 0.000 0.192 151 E C 2.100 178.633 176.600 -0.113 0.000 0.991 151 E CA 1.211 57.553 56.400 -0.096 0.000 0.799 151 E CB 0.208 29.859 29.700 -0.081 0.000 0.748 151 E HN 0.055 nan 8.360 nan 0.000 0.449 152 V N 1.650 121.450 119.914 -0.190 0.000 2.307 152 V HA -0.258 3.858 4.120 -0.006 0.000 0.245 152 V C 2.428 178.452 176.094 -0.117 0.000 1.045 152 V CA 1.238 63.421 62.300 -0.194 0.000 1.024 152 V CB -0.417 31.146 31.823 -0.434 0.000 0.651 152 V HN 0.371 nan 8.190 nan 0.000 0.449 153 I N 1.484 121.972 120.570 -0.136 0.000 2.264 153 I HA -0.200 3.966 4.170 -0.006 0.000 0.248 153 I C 2.643 178.736 176.117 -0.040 0.000 1.111 153 I CA 2.300 63.558 61.300 -0.070 0.000 1.382 153 I CB -1.396 36.539 38.000 -0.109 0.000 1.060 153 I HN 0.570 nan 8.210 nan 0.000 0.418 154 S N -0.004 115.670 115.700 -0.044 0.000 2.446 154 S HA -0.030 4.437 4.470 -0.006 0.000 0.225 154 S C 1.860 176.456 174.600 -0.008 0.000 1.016 154 S CA 0.383 58.575 58.200 -0.014 0.000 0.943 154 S CB 0.039 63.234 63.200 -0.008 0.000 0.786 154 S HN 0.431 nan 8.310 nan 0.000 0.508 155 K N 0.866 121.256 120.400 -0.017 0.000 2.329 155 K HA 0.280 4.597 4.320 -0.006 0.000 0.198 155 K C 0.795 177.400 176.600 0.009 0.000 1.085 155 K CA 0.225 56.508 56.287 -0.005 0.000 0.961 155 K CB 0.147 32.641 32.500 -0.011 0.000 0.971 155 K HN 0.267 nan 8.250 nan 0.000 0.502 156 S N 1.202 116.909 115.700 0.013 0.000 2.549 156 S HA 0.055 4.521 4.470 -0.006 0.000 0.286 156 S C 0.516 175.162 174.600 0.077 0.000 1.314 156 S CA -0.212 58.014 58.200 0.043 0.000 1.062 156 S CB 0.409 63.637 63.200 0.046 0.000 0.865 156 S HN 0.130 nan 8.310 nan 0.000 0.498 157 R N 2.772 123.339 120.500 0.112 0.000 2.652 157 R HA 0.238 4.574 4.340 -0.006 0.000 0.372 157 R C -0.712 175.760 176.300 0.287 0.000 1.104 157 R CA -0.312 55.913 56.100 0.210 0.000 1.072 157 R CB -0.371 30.020 30.300 0.152 0.000 1.367 157 R HN 0.574 nan 8.270 nan 0.000 0.577 158 D N 1.641 122.151 120.400 0.185 0.000 2.428 158 D HA 0.007 4.643 4.640 -0.006 0.000 0.221 158 D C 1.434 177.777 176.300 0.072 0.000 1.123 158 D CA -0.201 53.872 54.000 0.122 0.000 0.869 158 D CB 0.615 41.441 40.800 0.043 0.000 1.032 158 D HN 0.317 nan 8.370 nan 0.000 0.506 159 H N 2.860 122.014 119.070 0.139 0.000 2.421 159 H HA -0.061 4.491 4.556 -0.006 0.000 0.298 159 H C 0.602 175.974 175.328 0.074 0.000 1.087 159 H CA 0.920 56.968 56.048 0.000 0.000 1.330 159 H CB 0.244 29.931 29.762 -0.125 0.000 1.388 159 H HN 0.489 nan 8.280 nan 0.000 0.526 160 E N 0.853 120.814 120.200 -0.398 0.000 2.112 160 E HA -0.126 4.220 4.350 -0.006 0.000 0.190 160 E C 2.236 178.682 176.600 -0.257 0.000 0.979 160 E CA 0.614 56.886 56.400 -0.212 0.000 0.814 160 E CB 0.110 29.692 29.700 -0.196 0.000 0.762 160 E HN 0.663 nan 8.360 nan 0.000 0.460 161 E N 1.315 121.264 120.200 -0.419 0.000 2.051 161 E HA -0.202 4.144 4.350 -0.006 0.000 0.192 161 E C 2.203 178.705 176.600 -0.163 0.000 0.991 161 E CA 0.813 56.757 56.400 -0.761 0.000 0.799 161 E CB -0.036 29.404 29.700 -0.433 0.000 0.748 161 E HN 0.153 nan 8.360 nan 0.000 0.449 162 L N 0.532 121.777 121.223 0.037 0.000 2.042 162 L HA -0.214 4.122 4.340 -0.006 0.000 0.210 162 L C 2.709 179.733 176.870 0.256 0.000 1.076 162 L CA 1.314 56.273 54.840 0.198 0.000 0.749 162 L CB -0.507 41.646 42.059 0.157 0.000 0.893 162 L HN 0.249 nan 8.230 nan 0.000 0.432 163 A N -0.892 122.038 122.820 0.185 0.000 1.933 163 A HA -0.278 4.038 4.320 -0.006 0.000 0.218 163 A C 2.191 179.809 177.584 0.057 0.000 1.175 163 A CA 1.586 53.600 52.037 -0.038 0.000 0.628 163 A CB -0.860 18.025 19.000 -0.191 0.000 0.814 163 A HN 0.513 nan 8.150 nan 0.000 0.444 164 Y N -0.887 119.353 120.300 -0.099 0.000 2.114 164 Y HA -0.272 4.274 4.550 -0.006 0.000 0.284 164 Y C 2.137 177.992 175.900 -0.075 0.000 1.143 164 Y CA 2.090 60.109 58.100 -0.135 0.000 1.135 164 Y CB -0.545 37.723 38.460 -0.319 0.000 0.980 164 Y HN 0.342 nan 8.280 nan 0.000 0.499 165 Y N -1.529 118.781 120.300 0.016 0.000 2.293 165 Y HA -0.221 4.325 4.550 -0.006 0.000 0.291 165 Y C 2.332 178.260 175.900 0.046 0.000 1.137 165 Y CA 1.522 59.600 58.100 -0.037 0.000 1.202 165 Y CB -1.138 37.358 38.460 0.060 0.000 0.990 165 Y HN 0.385 nan 8.280 nan 0.000 0.537 166 W N 1.026 122.385 121.300 0.098 0.000 2.332 166 W HA -0.245 4.411 4.660 -0.006 0.000 0.321 166 W C 2.811 179.413 176.519 0.138 0.000 1.219 166 W CA 2.413 59.832 57.345 0.124 0.000 1.277 166 W CB -0.315 29.128 29.460 -0.028 0.000 1.161 166 W HN -0.144 nan 8.180 nan 0.000 0.476 167 R N 0.284 121.041 120.500 0.429 0.000 2.083 167 R HA -0.194 4.142 4.340 -0.006 0.000 0.237 167 R C 2.097 178.419 176.300 0.038 0.000 1.137 167 R CA 1.876 58.140 56.100 0.273 0.000 0.951 167 R CB -0.492 29.898 30.300 0.150 0.000 0.851 167 R HN 0.138 nan 8.270 nan 0.000 0.434 168 E N -0.061 120.073 120.200 -0.110 0.000 2.077 168 E HA -0.209 4.137 4.350 -0.006 0.000 0.193 168 E C 1.692 178.270 176.600 -0.036 0.000 0.989 168 E CA 1.091 57.401 56.400 -0.151 0.000 0.800 168 E CB -0.407 29.081 29.700 -0.354 0.000 0.746 168 E HN 0.318 nan 8.360 nan 0.000 0.452 169 F N 0.384 120.259 119.950 -0.125 0.000 2.113 169 F HA -0.197 4.326 4.527 -0.007 0.000 0.297 169 F C 2.130 177.795 175.800 -0.224 0.000 1.103 169 F CA 1.184 59.080 58.000 -0.173 0.000 1.248 169 F CB -0.462 38.408 39.000 -0.216 0.000 0.999 169 F HN -0.051 nan 8.300 nan 0.000 0.475 170 Y N 0.932 120.978 120.300 -0.423 0.000 2.181 170 Y HA -0.235 4.311 4.550 -0.006 0.000 0.288 170 Y C 2.385 178.095 175.900 -0.317 0.000 1.146 170 Y CA 1.800 59.604 58.100 -0.493 0.000 1.164 170 Y CB -0.864 37.154 38.460 -0.738 0.000 0.982 170 Y HN 0.069 nan 8.280 nan 0.000 0.515 171 D N -0.146 120.216 120.400 -0.062 0.000 2.123 171 D HA -0.151 4.485 4.640 -0.006 0.000 0.196 171 D C 1.864 178.105 176.300 -0.097 0.000 0.992 171 D CA 1.509 55.487 54.000 -0.036 0.000 0.833 171 D CB -0.146 40.649 40.800 -0.008 0.000 0.954 171 D HN 0.356 nan 8.370 nan 0.000 0.455 172 K N -0.096 120.190 120.400 -0.190 0.000 2.166 172 K HA 0.194 4.511 4.320 -0.006 0.000 0.201 172 K C 1.927 178.358 176.600 -0.283 0.000 1.052 172 K CA 0.757 56.926 56.287 -0.197 0.000 0.969 172 K CB 0.270 32.665 32.500 -0.176 0.000 0.761 172 K HN -0.007 nan 8.250 nan 0.000 0.459 173 A N 0.743 123.237 122.820 -0.543 0.000 2.044 173 A HA 0.149 4.465 4.320 -0.006 0.000 0.213 173 A C 1.967 179.383 177.584 -0.280 0.000 1.169 173 A CA 1.130 52.846 52.037 -0.535 0.000 0.724 173 A CB -0.172 18.130 19.000 -1.164 0.000 0.840 173 A HN 0.348 nan 8.150 nan 0.000 0.463 174 G N -1.119 107.512 108.800 -0.283 0.000 2.765 174 G HA2 0.110 4.066 3.960 -0.006 0.000 0.218 174 G HA3 0.110 4.066 3.960 -0.006 0.000 0.218 174 G C 1.425 176.334 174.900 0.015 0.000 1.271 174 G CA 1.155 46.154 45.100 -0.167 0.000 0.865 174 G HN 0.279 nan 8.290 nan 0.000 0.604 175 T N 2.323 116.908 114.554 0.052 0.000 2.699 175 T HA -0.091 4.255 4.350 -0.006 0.000 0.268 175 T C 2.676 177.444 174.700 0.114 0.000 1.036 175 T CA 1.701 63.889 62.100 0.148 0.000 1.147 175 T CB -0.448 68.490 68.868 0.117 0.000 0.862 175 T HN 0.368 nan 8.240 nan 0.000 0.446 176 A N 1.213 124.063 122.820 0.051 0.000 2.076 176 A HA -0.021 4.295 4.320 -0.006 0.000 0.220 176 A C 2.200 179.824 177.584 0.066 0.000 1.160 176 A CA 1.600 53.661 52.037 0.040 0.000 0.653 176 A CB -0.677 18.326 19.000 0.005 0.000 0.801 176 A HN 0.594 nan 8.150 nan 0.000 0.455 177 V N -3.644 116.334 119.914 0.106 0.000 3.121 177 V HA 0.300 4.416 4.120 -0.006 0.000 0.344 177 V C 1.488 177.701 176.094 0.197 0.000 1.390 177 V CA 0.375 62.759 62.300 0.140 0.000 1.177 177 V CB -0.566 31.345 31.823 0.146 0.000 1.163 177 V HN 0.509 nan 8.190 nan 0.000 0.484 178 R N 2.248 122.831 120.500 0.139 0.000 2.094 178 R HA -0.187 4.149 4.340 -0.006 0.000 0.239 178 R C 2.444 178.733 176.300 -0.018 0.000 1.137 178 R CA 2.524 58.588 56.100 -0.060 0.000 0.943 178 R CB -0.392 29.778 30.300 -0.217 0.000 0.850 178 R HN 0.784 nan 8.270 nan 0.000 0.433 179 S N -0.023 115.680 115.700 0.005 0.000 2.382 179 S HA -0.171 4.295 4.470 -0.006 0.000 0.228 179 S C 1.892 176.533 174.600 0.069 0.000 1.027 179 S CA 1.105 59.310 58.200 0.008 0.000 0.991 179 S CB -0.209 62.989 63.200 -0.004 0.000 0.823 179 S HN 0.380 nan 8.310 nan 0.000 0.469 180 Q N 0.427 120.294 119.800 0.111 0.000 2.079 180 Q HA 0.137 4.473 4.340 -0.006 0.000 0.200 180 Q C 1.803 177.938 176.000 0.224 0.000 0.974 180 Q CA 1.547 57.430 55.803 0.133 0.000 0.840 180 Q CB -0.645 28.165 28.738 0.121 0.000 0.898 180 Q HN 0.645 nan 8.270 nan 0.000 0.430 181 F N 1.448 121.502 119.950 0.174 0.000 2.134 181 F HA -0.199 4.324 4.527 -0.007 0.000 0.299 181 F C 1.825 177.859 175.800 0.390 0.000 1.097 181 F CA 1.512 59.712 58.000 0.333 0.000 1.264 181 F CB 0.046 39.304 39.000 0.430 0.000 1.001 181 F HN 0.096 nan 8.300 nan 0.000 0.479 182 E N -0.473 119.947 120.200 0.366 0.000 2.085 182 E HA -0.297 4.049 4.350 -0.006 0.000 0.194 182 E C 2.231 178.900 176.600 0.115 0.000 0.994 182 E CA 1.324 57.873 56.400 0.249 0.000 0.801 182 E CB -0.212 29.492 29.700 0.007 0.000 0.743 182 E HN 0.133 nan 8.360 nan 0.000 0.453 183 R N 0.435 120.980 120.500 0.074 0.000 2.092 183 R HA -0.164 4.172 4.340 -0.006 0.000 0.231 183 R C 2.119 178.420 176.300 0.002 0.000 1.119 183 R CA 1.321 57.436 56.100 0.024 0.000 0.970 183 R CB -0.816 29.496 30.300 0.020 0.000 0.864 183 R HN 0.311 nan 8.270 nan 0.000 0.440 184 Y N -0.056 120.177 120.300 -0.112 0.000 2.128 184 Y HA -0.182 4.364 4.550 -0.007 0.000 0.284 184 Y C 1.761 177.545 175.900 -0.194 0.000 1.154 184 Y CA 1.900 59.886 58.100 -0.190 0.000 1.149 184 Y CB -0.586 37.735 38.460 -0.232 0.000 0.976 184 Y HN -0.109 nan 8.280 nan 0.000 0.505 185 V N 1.155 120.758 119.914 -0.517 0.000 2.332 185 V HA -0.312 3.804 4.120 -0.006 0.000 0.248 185 V C 2.296 178.249 176.094 -0.234 0.000 1.055 185 V CA 2.357 64.403 62.300 -0.423 0.000 1.038 185 V CB -0.716 31.054 31.823 -0.089 0.000 0.651 185 V HN 0.465 nan 8.190 nan 0.000 0.450 186 E N -0.090 120.041 120.200 -0.115 0.000 2.058 186 E HA -0.207 4.139 4.350 -0.006 0.000 0.194 186 E C 2.215 178.732 176.600 -0.138 0.000 0.997 186 E CA 1.406 57.756 56.400 -0.084 0.000 0.801 186 E CB -0.195 29.479 29.700 -0.042 0.000 0.746 186 E HN 0.504 nan 8.360 nan 0.000 0.450 187 L N 1.182 122.297 121.223 -0.180 0.000 2.109 187 L HA -0.133 4.204 4.340 -0.006 0.000 0.207 187 L C 2.489 179.201 176.870 -0.263 0.000 1.086 187 L CA 0.517 55.243 54.840 -0.190 0.000 0.760 187 L CB -0.463 41.486 42.059 -0.183 0.000 0.910 187 L HN 0.217 nan 8.230 nan 0.000 0.437 188 N N 0.092 118.547 118.700 -0.408 0.000 2.069 188 N HA -0.187 4.549 4.740 -0.006 0.000 0.191 188 N C 1.633 176.923 175.510 -0.368 0.000 1.031 188 N CA 2.235 55.016 53.050 -0.448 0.000 0.852 188 N CB -0.011 37.981 38.487 -0.825 0.000 1.018 188 N HN 0.225 nan 8.380 nan 0.000 0.423 189 T N 1.186 115.535 114.554 -0.342 0.000 2.708 189 T HA -0.139 4.207 4.350 -0.006 0.000 0.266 189 T C 1.912 176.538 174.700 -0.124 0.000 1.037 189 T CA 1.350 63.317 62.100 -0.221 0.000 1.146 189 T CB -0.186 68.603 68.868 -0.132 0.000 0.865 189 T HN 0.372 nan 8.240 nan 0.000 0.435 190 K N 1.070 121.410 120.400 -0.101 0.000 2.063 190 K HA -0.091 4.225 4.320 -0.006 0.000 0.208 190 K C 2.493 179.078 176.600 -0.024 0.000 1.048 190 K CA 1.320 57.575 56.287 -0.053 0.000 0.928 190 K CB -0.339 32.132 32.500 -0.048 0.000 0.713 190 K HN 0.291 nan 8.250 nan 0.000 0.442 191 A N 1.006 123.817 122.820 -0.015 0.000 1.877 191 A HA -0.100 4.216 4.320 -0.006 0.000 0.216 191 A C 2.350 179.973 177.584 0.066 0.000 1.186 191 A CA 1.875 53.952 52.037 0.066 0.000 0.620 191 A CB -0.903 18.217 19.000 0.201 0.000 0.822 191 A HN 0.491 nan 8.150 nan 0.000 0.443 192 A N -0.126 122.703 122.820 0.013 0.000 1.883 192 A HA -0.208 4.108 4.320 -0.006 0.000 0.217 192 A C 2.121 179.767 177.584 0.103 0.000 1.186 192 A CA 1.946 54.019 52.037 0.060 0.000 0.624 192 A CB -0.473 18.480 19.000 -0.077 0.000 0.822 192 A HN 0.552 nan 8.150 nan 0.000 0.444 193 K N -0.614 119.802 120.400 0.027 0.000 2.148 193 K HA 0.053 4.370 4.320 -0.006 0.000 0.204 193 K C 1.739 178.337 176.600 -0.003 0.000 1.050 193 K CA 0.999 57.292 56.287 0.010 0.000 0.942 193 K CB -0.301 32.194 32.500 -0.009 0.000 0.724 193 K HN 0.451 nan 8.250 nan 0.000 0.446 194 L N 1.228 122.456 121.223 0.007 0.000 2.275 194 L HA -0.137 4.199 4.340 -0.006 0.000 0.215 194 L C 1.431 178.295 176.870 -0.010 0.000 1.119 194 L CA 0.780 55.620 54.840 -0.000 0.000 0.790 194 L CB -0.160 41.907 42.059 0.013 0.000 0.919 194 L HN 0.233 nan 8.230 nan 0.000 0.443 195 N N 0.118 118.823 118.700 0.008 0.000 2.322 195 N HA -0.023 4.713 4.740 -0.006 0.000 0.194 195 N C -0.040 175.316 175.510 -0.256 0.000 1.126 195 N CA 0.100 53.123 53.050 -0.045 0.000 0.845 195 N CB 0.265 38.830 38.487 0.130 0.000 0.976 195 N HN 0.210 nan 8.380 nan 0.000 0.475 196 N N 0.131 118.729 118.700 -0.170 0.000 2.741 196 N HA -0.183 4.553 4.740 -0.006 0.000 0.250 196 N C -0.870 174.460 175.510 -0.300 0.000 1.115 196 N CA 0.762 53.685 53.050 -0.211 0.000 0.724 196 N CB -1.746 36.613 38.487 -0.214 0.000 1.090 196 N HN 0.202 nan 8.380 nan 0.000 0.558 197 F N -0.021 119.907 119.950 -0.038 0.000 2.370 197 F HA 0.265 4.788 4.527 -0.007 0.000 0.324 197 F C 2.325 178.091 175.800 -0.057 0.000 1.116 197 F CA -0.348 57.623 58.000 -0.048 0.000 1.123 197 F CB 0.554 39.514 39.000 -0.065 0.000 1.238 197 F HN -0.196 nan 8.300 nan 0.000 0.536 198 T N -0.342 114.301 114.554 0.150 0.000 2.821 198 T HA -0.033 4.313 4.350 -0.006 0.000 0.267 198 T C 0.510 175.224 174.700 0.023 0.000 1.046 198 T CA 1.523 63.657 62.100 0.056 0.000 1.139 198 T CB -0.209 68.680 68.868 0.036 0.000 0.871 198 T HN 0.638 nan 8.240 nan 0.000 0.454 199 S N -1.424 114.276 115.700 0.001 0.000 2.661 199 S HA 0.549 5.015 4.470 -0.006 0.000 0.268 199 S C 1.154 175.612 174.600 -0.236 0.000 1.162 199 S CA -0.221 57.923 58.200 -0.094 0.000 0.817 199 S CB 1.002 64.177 63.200 -0.042 0.000 1.141 199 S HN 0.097 nan 8.310 nan 0.000 0.477 200 G N 0.385 108.879 108.800 -0.510 0.000 2.470 200 G HA2 0.166 4.122 3.960 -0.006 0.000 0.220 200 G HA3 0.166 4.122 3.960 -0.006 0.000 0.220 200 G C 1.393 175.902 174.900 -0.652 0.000 1.121 200 G CA 1.038 45.593 45.100 -0.909 0.000 0.766 200 G HN 1.281 nan 8.290 nan 0.000 0.553 201 A N 1.049 123.759 122.820 -0.184 0.000 1.877 201 A HA 0.008 4.324 4.320 -0.006 0.000 0.216 201 A C 2.207 179.649 177.584 -0.236 0.000 1.186 201 A CA 2.022 53.999 52.037 -0.100 0.000 0.620 201 A CB -0.301 18.558 19.000 -0.236 0.000 0.822 201 A HN 0.323 nan 8.150 nan 0.000 0.443 202 E N 0.060 120.111 120.200 -0.248 0.000 2.150 202 E HA 0.046 4.392 4.350 -0.006 0.000 0.193 202 E C 2.165 178.430 176.600 -0.557 0.000 0.985 202 E CA 1.146 57.405 56.400 -0.235 0.000 0.814 202 E CB -0.454 29.229 29.700 -0.027 0.000 0.752 202 E HN 0.573 nan 8.360 nan 0.000 0.466 203 A N 0.313 122.663 122.820 -0.784 0.000 1.902 203 A HA -0.174 4.142 4.320 -0.006 0.000 0.217 203 A C 1.686 179.027 177.584 -0.404 0.000 1.181 203 A CA 1.203 52.576 52.037 -1.107 0.000 0.623 203 A CB -0.841 17.736 19.000 -0.705 0.000 0.818 203 A HN 0.301 nan 8.150 nan 0.000 0.443 204 W N -0.017 121.128 121.300 -0.259 0.000 2.379 204 W HA -0.018 4.639 4.660 -0.006 0.000 0.307 204 W C 2.068 178.591 176.519 0.007 0.000 1.200 204 W CA 0.741 58.059 57.345 -0.045 0.000 1.297 204 W CB -1.251 28.340 29.460 0.217 0.000 1.140 204 W HN 0.258 nan 8.180 nan 0.000 0.507 205 L N -0.009 121.361 121.223 0.245 0.000 2.265 205 L HA -0.212 4.124 4.340 -0.006 0.000 0.215 205 L C 1.986 178.939 176.870 0.138 0.000 1.117 205 L CA 1.611 56.601 54.840 0.251 0.000 0.782 205 L CB -0.797 41.303 42.059 0.069 0.000 0.914 205 L HN -0.084 nan 8.230 nan 0.000 0.441 206 D N 0.034 120.415 120.400 -0.032 0.000 2.221 206 D HA -0.212 4.424 4.640 -0.006 0.000 0.204 206 D C 1.985 178.254 176.300 -0.052 0.000 0.982 206 D CA 0.875 54.863 54.000 -0.021 0.000 0.857 206 D CB 0.187 40.929 40.800 -0.096 0.000 0.934 206 D HN 0.182 nan 8.370 nan 0.000 0.475 207 E N -0.649 119.450 120.200 -0.168 0.000 2.333 207 E HA -0.180 4.166 4.350 -0.006 0.000 0.198 207 E C 1.097 177.400 176.600 -0.494 0.000 1.007 207 E CA 0.701 56.887 56.400 -0.357 0.000 0.845 207 E CB -0.262 29.122 29.700 -0.526 0.000 0.766 207 E HN 0.630 nan 8.360 nan 0.000 0.507 208 Y N 0.510 120.689 120.300 -0.203 0.000 2.457 208 Y HA 0.127 4.673 4.550 -0.006 0.000 0.263 208 Y C 0.278 176.167 175.900 -0.018 0.000 1.164 208 Y CA -0.159 57.726 58.100 -0.359 0.000 1.274 208 Y CB 0.055 37.797 38.460 -1.197 0.000 1.097 208 Y HN -0.058 nan 8.280 nan 0.000 0.523 209 E N 1.553 121.818 120.200 0.108 0.000 2.199 209 E HA -0.267 4.079 4.350 -0.006 0.000 0.208 209 E C -0.896 175.798 176.600 0.157 0.000 1.310 209 E CA 0.854 57.325 56.400 0.119 0.000 0.709 209 E CB -1.034 28.712 29.700 0.076 0.000 1.127 209 E HN 0.303 nan 8.360 nan 0.000 0.354 210 D N 0.227 120.745 120.400 0.197 0.000 2.548 210 D HA 0.022 4.659 4.640 -0.006 0.000 0.214 210 D C 0.092 176.543 176.300 0.253 0.000 1.345 210 D CA -0.431 53.721 54.000 0.255 0.000 0.945 210 D CB 0.829 41.905 40.800 0.459 0.000 1.499 210 D HN 0.037 nan 8.370 nan 0.000 0.579 211 D N 1.271 121.780 120.400 0.181 0.000 2.371 211 D HA -0.105 4.531 4.640 -0.006 0.000 0.221 211 D C 1.170 177.564 176.300 0.158 0.000 0.986 211 D CA 0.664 54.755 54.000 0.151 0.000 0.899 211 D CB -0.226 40.639 40.800 0.107 0.000 0.902 211 D HN 0.325 nan 8.370 nan 0.000 0.530 212 T N -4.217 110.455 114.554 0.195 0.000 3.176 212 T HA 0.166 4.512 4.350 -0.006 0.000 0.263 212 T C 1.154 175.980 174.700 0.211 0.000 1.021 212 T CA -0.702 61.501 62.100 0.170 0.000 0.905 212 T CB -0.836 68.114 68.868 0.136 0.000 1.057 212 T HN -0.055 nan 8.240 nan 0.000 0.558 213 F N 2.563 122.577 119.950 0.107 0.000 2.134 213 F HA 0.059 4.582 4.527 -0.006 0.000 0.299 213 F C 2.126 177.960 175.800 0.058 0.000 1.097 213 F CA 1.373 59.429 58.000 0.093 0.000 1.264 213 F CB -0.071 38.984 39.000 0.091 0.000 1.001 213 F HN 0.246 nan 8.300 nan 0.000 0.479 214 E N -0.682 119.610 120.200 0.154 0.000 2.051 214 E HA -0.308 4.038 4.350 -0.006 0.000 0.192 214 E C 2.103 178.772 176.600 0.114 0.000 0.991 214 E CA 1.422 57.904 56.400 0.137 0.000 0.799 214 E CB -0.291 29.473 29.700 0.107 0.000 0.748 214 E HN 0.288 nan 8.360 nan 0.000 0.449 215 Q N 1.015 120.870 119.800 0.091 0.000 2.124 215 Q HA -0.196 4.140 4.340 -0.006 0.000 0.202 215 Q C 1.908 177.938 176.000 0.050 0.000 0.977 215 Q CA 1.625 57.481 55.803 0.087 0.000 0.850 215 Q CB -0.016 28.770 28.738 0.080 0.000 0.901 215 Q HN 0.284 nan 8.270 nan 0.000 0.429 216 Q N -0.565 119.225 119.800 -0.017 0.000 2.061 216 Q HA -0.154 4.182 4.340 -0.006 0.000 0.204 216 Q C 2.108 178.032 176.000 -0.126 0.000 0.984 216 Q CA 1.594 57.350 55.803 -0.077 0.000 0.846 216 Q CB -0.154 28.494 28.738 -0.149 0.000 0.902 216 Q HN 0.400 nan 8.270 nan 0.000 0.421 217 L N 0.537 121.628 121.223 -0.221 0.000 2.056 217 L HA -0.179 4.157 4.340 -0.006 0.000 0.207 217 L C 2.376 179.268 176.870 0.036 0.000 1.078 217 L CA 0.800 55.492 54.840 -0.246 0.000 0.749 217 L CB -0.367 41.406 42.059 -0.476 0.000 0.901 217 L HN 0.201 nan 8.230 nan 0.000 0.433 218 E N 0.265 120.601 120.200 0.227 0.000 2.085 218 E HA -0.229 4.117 4.350 -0.006 0.000 0.194 218 E C 1.756 178.515 176.600 0.264 0.000 0.994 218 E CA 1.401 58.022 56.400 0.368 0.000 0.801 218 E CB -0.278 29.591 29.700 0.281 0.000 0.743 218 E HN 0.496 nan 8.360 nan 0.000 0.453 219 D N 0.609 121.096 120.400 0.144 0.000 2.097 219 D HA -0.102 4.534 4.640 -0.006 0.000 0.195 219 D C 2.179 178.529 176.300 0.083 0.000 0.989 219 D CA 0.711 54.770 54.000 0.098 0.000 0.827 219 D CB -0.331 40.505 40.800 0.061 0.000 0.966 219 D HN 0.182 nan 8.370 nan 0.000 0.456 220 I N 0.073 120.680 120.570 0.061 0.000 2.179 220 I HA -0.243 3.923 4.170 -0.006 0.000 0.242 220 I C 2.224 178.391 176.117 0.084 0.000 1.088 220 I CA 0.638 61.961 61.300 0.040 0.000 1.357 220 I CB -0.198 37.793 38.000 -0.015 0.000 1.051 220 I HN -0.098 nan 8.210 nan 0.000 0.409 221 F N 1.898 121.855 119.950 0.012 0.000 2.126 221 F HA -0.267 4.256 4.527 -0.007 0.000 0.299 221 F C 2.455 178.315 175.800 0.100 0.000 1.096 221 F CA 1.418 59.462 58.000 0.072 0.000 1.255 221 F CB -0.419 38.707 39.000 0.210 0.000 0.997 221 F HN 0.018 nan 8.300 nan 0.000 0.479 222 A N -0.114 122.744 122.820 0.063 0.000 1.978 222 A HA -0.207 4.109 4.320 -0.006 0.000 0.220 222 A C 1.940 179.466 177.584 -0.096 0.000 1.170 222 A CA 2.029 54.042 52.037 -0.039 0.000 0.636 222 A CB -0.941 18.099 19.000 0.067 0.000 0.810 222 A HN 0.458 nan 8.150 nan 0.000 0.448 223 D N -0.168 120.199 120.400 -0.056 0.000 2.149 223 D HA -0.076 4.560 4.640 -0.006 0.000 0.201 223 D C 1.697 177.950 176.300 -0.078 0.000 0.972 223 D CA 0.903 54.875 54.000 -0.047 0.000 0.835 223 D CB -0.132 40.660 40.800 -0.013 0.000 0.966 223 D HN 0.395 nan 8.370 nan 0.000 0.476 224 I N 0.202 120.695 120.570 -0.129 0.000 3.030 224 I HA 0.024 4.190 4.170 -0.006 0.000 0.270 224 I C 2.281 178.288 176.117 -0.183 0.000 1.211 224 I CA 0.212 61.435 61.300 -0.129 0.000 1.479 224 I CB -0.637 37.303 38.000 -0.100 0.000 1.105 224 I HN -0.045 nan 8.210 nan 0.000 0.447 225 R N 1.700 121.982 120.500 -0.363 0.000 2.113 225 R HA -0.183 4.153 4.340 -0.006 0.000 0.244 225 R C -0.465 175.791 176.300 -0.073 0.000 1.142 225 R CA 2.119 58.010 56.100 -0.349 0.000 0.953 225 R CB -1.035 28.958 30.300 -0.511 0.000 0.860 225 R HN 0.201 nan 8.270 nan 0.000 0.438 226 P HA -0.169 nan 4.420 nan 0.000 0.216 226 P C 1.168 178.473 177.300 0.008 0.000 1.150 226 P CA 0.913 63.995 63.100 -0.029 0.000 0.837 226 P CB -0.077 31.601 31.700 -0.037 0.000 0.786 227 L N -1.483 119.745 121.223 0.009 0.000 2.046 227 L HA -0.172 4.164 4.340 -0.006 0.000 0.208 227 L C 2.358 179.261 176.870 0.054 0.000 1.077 227 L CA 1.759 56.614 54.840 0.025 0.000 0.747 227 L CB -1.598 40.461 42.059 0.000 0.000 0.896 227 L HN -0.079 nan 8.230 nan 0.000 0.432 228 Y N 0.117 120.398 120.300 -0.032 0.000 2.165 228 Y HA -0.280 4.266 4.550 -0.006 0.000 0.286 228 Y C 2.499 178.492 175.900 0.157 0.000 1.155 228 Y CA 2.065 60.180 58.100 0.025 0.000 1.164 228 Y CB -0.269 38.206 38.460 0.024 0.000 0.978 228 Y HN 0.348 nan 8.280 nan 0.000 0.513 229 Q N 0.057 119.886 119.800 0.049 0.000 2.135 229 Q HA -0.223 4.114 4.340 -0.006 0.000 0.204 229 Q C 2.061 178.101 176.000 0.068 0.000 0.981 229 Q CA 1.632 57.464 55.803 0.047 0.000 0.856 229 Q CB -0.442 28.316 28.738 0.033 0.000 0.902 229 Q HN 0.619 nan 8.270 nan 0.000 0.425 230 Q N 0.202 120.036 119.800 0.058 0.000 2.079 230 Q HA -0.024 4.313 4.340 -0.006 0.000 0.200 230 Q C 2.332 178.445 176.000 0.187 0.000 0.974 230 Q CA 0.820 56.683 55.803 0.100 0.000 0.840 230 Q CB -0.213 28.568 28.738 0.071 0.000 0.898 230 Q HN 0.441 nan 8.270 nan 0.000 0.430 231 I N 0.502 121.160 120.570 0.147 0.000 2.179 231 I HA -0.284 3.882 4.170 -0.006 0.000 0.242 231 I C 2.669 178.974 176.117 0.314 0.000 1.088 231 I CA 1.223 62.668 61.300 0.242 0.000 1.357 231 I CB -0.514 37.500 38.000 0.024 0.000 1.051 231 I HN 0.302 nan 8.210 nan 0.000 0.409 232 H N 1.369 120.440 119.070 0.001 0.000 2.319 232 H HA -0.164 4.388 4.556 -0.007 0.000 0.299 232 H C 2.159 177.605 175.328 0.195 0.000 1.092 232 H CA 2.155 58.265 56.048 0.103 0.000 1.302 232 H CB -0.405 29.268 29.762 -0.149 0.000 1.373 232 H HN 0.334 nan 8.280 nan 0.000 0.497 233 G N -0.589 108.453 108.800 0.403 0.000 2.446 233 G HA2 -0.331 3.625 3.960 -0.006 0.000 0.217 233 G HA3 -0.331 3.625 3.960 -0.006 0.000 0.217 233 G C 1.829 176.902 174.900 0.289 0.000 1.168 233 G CA 0.880 46.179 45.100 0.332 0.000 0.771 233 G HN 0.561 nan 8.290 nan 0.000 0.551 234 Y N 0.752 121.183 120.300 0.217 0.000 2.200 234 Y HA -0.082 4.464 4.550 -0.006 0.000 0.290 234 Y C 2.905 178.989 175.900 0.307 0.000 1.137 234 Y CA 1.443 59.701 58.100 0.264 0.000 1.163 234 Y CB -0.078 38.538 38.460 0.259 0.000 0.988 234 Y HN 0.044 nan 8.280 nan 0.000 0.518 235 V N 0.889 121.011 119.914 0.346 0.000 2.295 235 V HA -0.339 3.777 4.120 -0.006 0.000 0.246 235 V C 2.483 178.545 176.094 -0.054 0.000 1.049 235 V CA 2.342 64.746 62.300 0.172 0.000 1.024 235 V CB -0.738 31.219 31.823 0.224 0.000 0.648 235 V HN 0.377 nan 8.190 nan 0.000 0.447 236 R N -0.464 119.985 120.500 -0.085 0.000 2.083 236 R HA -0.242 4.094 4.340 -0.006 0.000 0.237 236 R C 2.292 178.578 176.300 -0.024 0.000 1.137 236 R CA 2.309 58.346 56.100 -0.106 0.000 0.951 236 R CB -0.519 29.733 30.300 -0.080 0.000 0.851 236 R HN 0.490 nan 8.270 nan 0.000 0.434 237 F N 1.541 121.419 119.950 -0.120 0.000 2.095 237 F HA -0.196 4.327 4.527 -0.007 0.000 0.298 237 F C 2.065 177.747 175.800 -0.197 0.000 1.104 237 F CA 1.544 59.455 58.000 -0.148 0.000 1.232 237 F CB -0.133 38.761 39.000 -0.178 0.000 0.987 237 F HN -0.060 nan 8.300 nan 0.000 0.475 238 R N 0.646 120.843 120.500 -0.506 0.000 2.090 238 R HA -0.027 4.309 4.340 -0.006 0.000 0.228 238 R C 2.388 178.507 176.300 -0.302 0.000 1.110 238 R CA 1.270 57.039 56.100 -0.551 0.000 0.973 238 R CB -1.167 28.892 30.300 -0.400 0.000 0.869 238 R HN 0.412 nan 8.270 nan 0.000 0.440 239 L N 0.201 121.315 121.223 -0.182 0.000 2.141 239 L HA -0.103 4.233 4.340 -0.006 0.000 0.209 239 L C 2.594 179.460 176.870 -0.007 0.000 1.094 239 L CA 1.176 55.989 54.840 -0.045 0.000 0.763 239 L CB -0.310 41.708 42.059 -0.068 0.000 0.908 239 L HN 0.110 nan 8.230 nan 0.000 0.437 240 R N 0.228 120.663 120.500 -0.109 0.000 2.096 240 R HA -0.172 4.164 4.340 -0.006 0.000 0.235 240 R C 2.240 178.459 176.300 -0.134 0.000 1.127 240 R CA 1.324 57.364 56.100 -0.100 0.000 0.968 240 R CB -0.176 30.064 30.300 -0.099 0.000 0.861 240 R HN 0.327 nan 8.270 nan 0.000 0.440 241 K N -1.127 119.129 120.400 -0.239 0.000 2.211 241 K HA -0.166 4.150 4.320 -0.006 0.000 0.203 241 K C 1.827 178.328 176.600 -0.165 0.000 1.050 241 K CA 1.266 57.412 56.287 -0.235 0.000 0.945 241 K CB -0.097 32.190 32.500 -0.355 0.000 0.732 241 K HN 0.292 nan 8.250 nan 0.000 0.451 242 H N -1.009 117.919 119.070 -0.237 0.000 2.329 242 H HA -0.020 4.532 4.556 -0.006 0.000 0.306 242 H C 1.171 176.285 175.328 -0.357 0.000 1.062 242 H CA 1.532 57.389 56.048 -0.318 0.000 1.364 242 H CB 0.230 29.749 29.762 -0.406 0.000 1.409 242 H HN 0.108 nan 8.280 nan 0.000 0.519 243 Y N -0.176 120.095 120.300 -0.048 0.000 2.510 243 Y HA 0.275 4.821 4.550 -0.007 0.000 0.273 243 Y C 1.254 177.054 175.900 -0.166 0.000 1.119 243 Y CA 0.571 58.601 58.100 -0.116 0.000 1.286 243 Y CB 0.605 38.987 38.460 -0.129 0.000 1.061 243 Y HN 0.489 nan 8.280 nan 0.000 0.542 244 G N 0.457 109.246 108.800 -0.018 0.000 2.699 244 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.686 244 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.686 244 G C -0.411 174.456 174.900 -0.055 0.000 1.301 244 G CA -0.225 44.842 45.100 -0.054 0.000 0.816 244 G HN 0.208 nan 8.290 nan 0.000 0.595 245 D N 0.314 120.680 120.400 -0.056 0.000 2.347 245 D HA 0.285 4.921 4.640 -0.006 0.000 0.215 245 D C 2.534 178.796 176.300 -0.064 0.000 0.976 245 D CA 1.667 55.634 54.000 -0.055 0.000 0.884 245 D CB -0.009 40.766 40.800 -0.042 0.000 0.915 245 D HN 0.866 nan 8.370 nan 0.000 0.526 246 A N -0.063 122.715 122.820 -0.070 0.000 2.015 246 A HA -0.078 4.238 4.320 -0.006 0.000 0.219 246 A C 2.122 179.638 177.584 -0.114 0.000 1.163 246 A CA 0.944 52.935 52.037 -0.077 0.000 0.646 246 A CB -0.148 18.814 19.000 -0.064 0.000 0.806 246 A HN 0.179 nan 8.150 nan 0.000 0.448 247 V N -1.247 118.573 119.914 -0.157 0.000 2.795 247 V HA 0.070 4.186 4.120 -0.006 0.000 0.243 247 V C 0.355 176.336 176.094 -0.188 0.000 1.069 247 V CA 0.822 62.982 62.300 -0.232 0.000 1.089 247 V CB 0.433 32.020 31.823 -0.393 0.000 0.756 247 V HN 0.180 nan 8.190 nan 0.000 0.471 248 V N 1.422 121.253 119.914 -0.139 0.000 2.483 248 V HA 0.505 4.622 4.120 -0.006 0.000 0.297 248 V C -0.019 176.030 176.094 -0.075 0.000 1.027 248 V CA -0.522 61.706 62.300 -0.120 0.000 0.855 248 V CB 1.651 33.404 31.823 -0.117 0.000 0.995 248 V HN 0.426 nan 8.190 nan 0.000 0.424 249 S N 2.468 118.133 115.700 -0.059 0.000 2.632 249 S HA 0.325 4.791 4.470 -0.006 0.000 0.271 249 S C 0.901 175.499 174.600 -0.003 0.000 1.260 249 S CA -0.137 58.043 58.200 -0.033 0.000 1.010 249 S CB 1.689 64.872 63.200 -0.028 0.000 0.965 249 S HN 0.839 nan 8.310 nan 0.000 0.534 250 E N 0.653 120.850 120.200 -0.006 0.000 2.106 250 E HA -0.132 4.214 4.350 -0.006 0.000 0.192 250 E C 1.398 178.019 176.600 0.035 0.000 0.984 250 E CA 1.613 58.024 56.400 0.018 0.000 0.806 250 E CB -0.182 29.500 29.700 -0.030 0.000 0.750 250 E HN 0.931 nan 8.360 nan 0.000 0.458 251 T N -3.144 111.396 114.554 -0.024 0.000 3.023 251 T HA 0.314 4.660 4.350 -0.006 0.000 0.253 251 T C 0.690 175.497 174.700 0.178 0.000 1.038 251 T CA -0.016 62.079 62.100 -0.008 0.000 0.962 251 T CB 0.897 69.656 68.868 -0.182 0.000 1.018 251 T HN 0.111 nan 8.240 nan 0.000 0.521 252 G N 2.123 111.007 108.800 0.139 0.000 2.488 252 G HA2 0.620 4.576 3.960 -0.006 0.000 0.318 252 G HA3 0.620 4.576 3.960 -0.006 0.000 0.318 252 G C -2.964 172.044 174.900 0.181 0.000 1.188 252 G CA -1.959 43.232 45.100 0.152 0.000 0.944 252 G HN 0.063 nan 8.290 nan 0.000 0.495 253 P HA 0.098 nan 4.420 nan 0.000 0.267 253 P C -0.036 177.222 177.300 -0.070 0.000 1.200 253 P CA 0.017 63.092 63.100 -0.043 0.000 0.772 253 P CB 0.607 32.238 31.700 -0.115 0.000 0.855 254 I N 4.275 124.771 120.570 -0.122 0.000 2.556 254 I HA 0.091 4.257 4.170 -0.006 0.000 0.284 254 I C -1.907 174.082 176.117 -0.212 0.000 1.114 254 I CA -1.988 59.181 61.300 -0.219 0.000 1.418 254 I CB 0.256 38.023 38.000 -0.388 0.000 1.394 254 I HN 0.150 nan 8.210 nan 0.000 0.552 255 P HA -0.004 nan 4.420 nan 0.000 0.265 255 P C 0.738 177.936 177.300 -0.171 0.000 1.222 255 P CA -0.011 62.982 63.100 -0.179 0.000 0.767 255 P CB 0.526 32.164 31.700 -0.103 0.000 0.801 256 M N 3.769 123.280 119.600 -0.149 0.000 2.394 256 M HA -0.129 4.347 4.480 -0.006 0.000 0.264 256 M C 1.368 177.645 176.300 -0.039 0.000 1.073 256 M CA 1.465 56.712 55.300 -0.088 0.000 1.111 256 M CB -0.829 31.797 32.600 0.043 0.000 1.401 256 M HN 0.330 nan 8.290 nan 0.000 0.448 257 H N 1.217 120.124 119.070 -0.272 0.000 2.546 257 H HA 0.080 4.632 4.556 -0.006 0.000 0.277 257 H C 1.396 176.628 175.328 -0.161 0.000 1.004 257 H CA 0.735 56.689 56.048 -0.156 0.000 1.231 257 H CB -0.952 28.682 29.762 -0.213 0.000 1.382 257 H HN 0.531 nan 8.280 nan 0.000 0.580 258 L N 0.488 121.375 121.223 -0.559 0.000 2.592 258 L HA 0.167 4.503 4.340 -0.006 0.000 0.227 258 L C 1.494 178.167 176.870 -0.327 0.000 1.127 258 L CA 0.040 54.552 54.840 -0.547 0.000 0.884 258 L CB 0.136 41.749 42.059 -0.744 0.000 1.065 258 L HN 0.134 nan 8.230 nan 0.000 0.457 259 L N -0.123 120.925 121.223 -0.291 0.000 2.628 259 L HA 0.297 4.633 4.340 -0.006 0.000 0.229 259 L C 1.388 178.204 176.870 -0.089 0.000 1.137 259 L CA 0.287 54.922 54.840 -0.342 0.000 0.909 259 L CB 0.056 41.731 42.059 -0.640 0.000 1.137 259 L HN 0.397 nan 8.230 nan 0.000 0.470 260 G N 0.749 109.526 108.800 -0.039 0.000 2.148 260 G HA2 -0.299 3.657 3.960 -0.006 0.000 0.254 260 G HA3 -0.299 3.657 3.960 -0.006 0.000 0.254 260 G C 0.006 174.941 174.900 0.058 0.000 0.981 260 G CA 0.196 45.309 45.100 0.022 0.000 0.670 260 G HN 0.452 nan 8.290 nan 0.000 0.528 261 N N -0.922 117.821 118.700 0.071 0.000 2.371 261 N HA 0.361 5.097 4.740 -0.006 0.000 0.280 261 N C 1.062 176.576 175.510 0.007 0.000 1.084 261 N CA -0.234 52.868 53.050 0.086 0.000 0.892 261 N CB 1.359 39.975 38.487 0.216 0.000 1.653 261 N HN -0.017 nan 8.380 nan 0.000 0.480 262 M N 2.668 122.086 119.600 -0.303 0.000 2.267 262 M HA 0.053 4.529 4.480 -0.006 0.000 0.263 262 M C 0.474 176.516 176.300 -0.430 0.000 1.063 262 M CA 1.734 56.639 55.300 -0.659 0.000 1.090 262 M CB -0.099 31.511 32.600 -1.652 0.000 1.392 262 M HN 0.618 nan 8.290 nan 0.000 0.422 263 W N -0.959 120.523 121.300 0.304 0.000 3.005 263 W HA 0.573 5.230 4.660 -0.006 0.000 0.374 263 W C 1.059 177.744 176.519 0.277 0.000 1.076 263 W CA 0.184 57.758 57.345 0.381 0.000 1.794 263 W CB -0.856 28.772 29.460 0.280 0.000 1.113 263 W HN 0.370 nan 8.180 nan 0.000 0.584 264 A N 1.977 125.027 122.820 0.383 0.000 2.799 264 A HA -0.355 3.961 4.320 -0.006 0.000 0.287 264 A C 1.691 179.491 177.584 0.360 0.000 1.484 264 A CA 2.050 54.335 52.037 0.414 0.000 0.813 264 A CB -2.033 17.221 19.000 0.423 0.000 1.009 264 A HN 0.605 nan 8.150 nan 0.000 0.545 265 Q N -1.500 118.287 119.800 -0.021 0.000 2.269 265 Q HA 0.106 4.442 4.340 -0.006 0.000 0.201 265 Q C 0.718 176.674 176.000 -0.074 0.000 0.946 265 Q CA 1.276 56.770 55.803 -0.516 0.000 0.877 265 Q CB 0.112 28.130 28.738 -1.201 0.000 0.963 265 Q HN 0.841 nan 8.270 nan 0.000 0.472 266 Q N -0.889 118.968 119.800 0.094 0.000 2.309 266 Q HA 0.200 4.536 4.340 -0.006 0.000 0.273 266 Q C -1.371 174.818 176.000 0.315 0.000 1.040 266 Q CA -0.663 55.189 55.803 0.081 0.000 0.834 266 Q CB 1.422 30.214 28.738 0.090 0.000 1.345 266 Q HN 0.293 nan 8.270 nan 0.000 0.414 267 W N 0.906 122.252 121.300 0.076 0.000 3.123 267 W HA 0.112 4.768 4.660 -0.006 0.000 0.383 267 W C 1.475 178.029 176.519 0.057 0.000 1.102 267 W CA -0.242 57.139 57.345 0.060 0.000 1.865 267 W CB -0.432 29.060 29.460 0.054 0.000 1.111 267 W HN 0.702 nan 8.180 nan 0.000 0.621 268 S N -0.025 115.819 115.700 0.241 0.000 2.419 268 S HA -0.201 4.265 4.470 -0.006 0.000 0.235 268 S C 1.361 176.055 174.600 0.157 0.000 1.019 268 S CA 1.259 59.567 58.200 0.180 0.000 0.982 268 S CB -0.129 63.160 63.200 0.149 0.000 0.789 268 S HN 0.117 nan 8.310 nan 0.000 0.490 269 E N 1.633 121.918 120.200 0.142 0.000 2.338 269 E HA 0.008 4.354 4.350 -0.006 0.000 0.197 269 E C 1.720 178.364 176.600 0.074 0.000 1.007 269 E CA 0.957 57.413 56.400 0.093 0.000 0.849 269 E CB -0.353 29.390 29.700 0.072 0.000 0.774 269 E HN 0.972 nan 8.360 nan 0.000 0.506 270 I N -3.502 117.125 120.570 0.094 0.000 3.914 270 I HA 0.373 4.539 4.170 -0.006 0.000 0.333 270 I C 1.748 177.923 176.117 0.096 0.000 1.449 270 I CA -0.074 61.256 61.300 0.051 0.000 1.135 270 I CB 0.364 38.364 38.000 0.000 0.000 1.073 270 I HN -0.228 nan 8.210 nan 0.000 0.401 271 A N 2.581 125.489 122.820 0.147 0.000 1.940 271 A HA -0.263 4.053 4.320 -0.006 0.000 0.219 271 A C 2.115 179.788 177.584 0.147 0.000 1.176 271 A CA 2.164 54.322 52.037 0.201 0.000 0.631 271 A CB -0.726 18.397 19.000 0.205 0.000 0.814 271 A HN 0.748 nan 8.150 nan 0.000 0.446 272 D N 0.709 121.160 120.400 0.086 0.000 2.263 272 D HA -0.158 4.478 4.640 -0.006 0.000 0.208 272 D C 1.563 177.876 176.300 0.021 0.000 0.971 272 D CA 1.539 55.572 54.000 0.055 0.000 0.867 272 D CB -0.474 40.346 40.800 0.033 0.000 0.929 272 D HN 0.728 nan 8.370 nan 0.000 0.492 273 I N -1.679 118.881 120.570 -0.017 0.000 4.057 273 I HA 0.110 4.276 4.170 -0.006 0.000 0.334 273 I C 1.521 177.616 176.117 -0.036 0.000 1.308 273 I CA -0.160 61.092 61.300 -0.080 0.000 1.125 273 I CB 0.702 38.517 38.000 -0.307 0.000 1.034 273 I HN -0.044 nan 8.210 nan 0.000 0.401 274 V N -1.177 118.774 119.914 0.061 0.000 3.346 274 V HA 0.332 4.449 4.120 -0.006 0.000 0.309 274 V C 0.870 177.084 176.094 0.199 0.000 1.457 274 V CA 0.129 62.507 62.300 0.130 0.000 1.069 274 V CB -0.717 31.257 31.823 0.252 0.000 0.944 274 V HN 0.389 nan 8.190 nan 0.000 0.449 275 S N 0.931 116.723 115.700 0.153 0.000 2.549 275 S HA 0.346 4.813 4.470 -0.006 0.000 0.283 275 S C -1.167 173.421 174.600 -0.021 0.000 1.320 275 S CA -0.293 57.968 58.200 0.102 0.000 1.058 275 S CB 0.928 64.211 63.200 0.138 0.000 0.882 275 S HN 0.279 nan 8.310 nan 0.000 0.498 276 P HA -0.054 nan 4.420 nan 0.000 0.216 276 P C -0.211 176.751 177.300 -0.564 0.000 1.154 276 P CA 1.340 64.189 63.100 -0.418 0.000 0.865 276 P CB -0.031 31.176 31.700 -0.822 0.000 0.789 277 F N -2.709 117.233 119.950 -0.013 0.000 2.564 277 F HA 0.339 4.862 4.527 -0.007 0.000 0.368 277 F C -1.865 173.948 175.800 0.022 0.000 1.127 277 F CA -2.218 55.789 58.000 0.013 0.000 1.170 277 F CB 1.272 40.250 39.000 -0.037 0.000 1.397 277 F HN -0.095 nan 8.300 nan 0.000 0.493 278 P HA -0.120 nan 4.420 nan 0.000 0.222 278 P C 0.953 178.312 177.300 0.098 0.000 1.147 278 P CA 1.302 64.464 63.100 0.103 0.000 0.790 278 P CB 0.298 32.039 31.700 0.069 0.000 0.780 279 E N -1.110 119.160 120.200 0.116 0.000 2.442 279 E HA 0.018 4.365 4.350 -0.006 0.000 0.195 279 E C 0.442 177.076 176.600 0.057 0.000 1.030 279 E CA 0.434 56.882 56.400 0.079 0.000 0.869 279 E CB 0.161 29.907 29.700 0.077 0.000 0.857 279 E HN 0.214 nan 8.360 nan 0.000 0.505 280 K N 1.357 121.803 120.400 0.078 0.000 2.123 280 K HA 0.329 4.646 4.320 -0.006 0.000 0.248 280 K C -2.444 174.180 176.600 0.039 0.000 0.969 280 K CA -2.416 53.881 56.287 0.017 0.000 0.882 280 K CB 0.586 33.068 32.500 -0.030 0.000 1.080 280 K HN -0.118 nan 8.250 nan 0.000 0.441 281 P HA 0.085 nan 4.420 nan 0.000 0.268 281 P C -0.700 176.702 177.300 0.169 0.000 1.205 281 P CA -0.381 62.769 63.100 0.083 0.000 0.771 281 P CB 0.534 32.266 31.700 0.054 0.000 0.858 282 L N 4.472 125.799 121.223 0.173 0.000 2.349 282 L HA 0.297 4.633 4.340 -0.006 0.000 0.278 282 L C -0.699 176.264 176.870 0.156 0.000 0.996 282 L CA -0.858 54.087 54.840 0.176 0.000 0.825 282 L CB 1.974 44.120 42.059 0.144 0.000 1.243 282 L HN 0.048 nan 8.230 nan 0.000 0.412 283 V N 4.473 124.475 119.914 0.146 0.000 2.446 283 V HA 0.277 4.393 4.120 -0.006 0.000 0.276 283 V C -0.331 175.801 176.094 0.063 0.000 1.030 283 V CA 0.109 62.453 62.300 0.074 0.000 1.033 283 V CB 0.645 32.475 31.823 0.012 0.000 0.993 283 V HN 0.755 nan 8.190 nan 0.000 0.477 284 D N 3.958 124.377 120.400 0.032 0.000 2.337 284 D HA 0.168 4.804 4.640 -0.006 0.000 0.238 284 D C 0.271 176.552 176.300 -0.032 0.000 1.331 284 D CA -0.370 53.635 54.000 0.007 0.000 0.967 284 D CB 1.878 42.692 40.800 0.024 0.000 1.382 284 D HN 0.342 nan 8.370 nan 0.000 0.549 285 V N 1.165 121.036 119.914 -0.072 0.000 3.649 285 V HA 0.134 4.250 4.120 -0.006 0.000 0.275 285 V C 1.653 177.658 176.094 -0.148 0.000 1.281 285 V CA 0.562 62.796 62.300 -0.111 0.000 1.143 285 V CB 0.030 31.773 31.823 -0.133 0.000 0.892 285 V HN 0.272 nan 8.190 nan 0.000 0.441 286 S N 1.951 117.577 115.700 -0.124 0.000 2.365 286 S HA -0.167 4.299 4.470 -0.006 0.000 0.225 286 S C 2.294 176.831 174.600 -0.105 0.000 1.039 286 S CA 1.991 60.118 58.200 -0.121 0.000 1.033 286 S CB -0.557 62.593 63.200 -0.084 0.000 0.887 286 S HN 0.953 nan 8.310 nan 0.000 0.447 287 A N 1.659 124.434 122.820 -0.074 0.000 1.902 287 A HA -0.137 4.180 4.320 -0.006 0.000 0.217 287 A C 2.102 179.643 177.584 -0.072 0.000 1.181 287 A CA 1.343 53.347 52.037 -0.055 0.000 0.623 287 A CB -0.444 18.537 19.000 -0.032 0.000 0.818 287 A HN 0.334 nan 8.150 nan 0.000 0.443 288 E N -0.465 119.676 120.200 -0.098 0.000 2.150 288 E HA -0.121 4.225 4.350 -0.006 0.000 0.193 288 E C 2.072 178.555 176.600 -0.194 0.000 0.985 288 E CA 1.016 57.347 56.400 -0.113 0.000 0.814 288 E CB -0.383 29.252 29.700 -0.109 0.000 0.752 288 E HN 0.729 nan 8.360 nan 0.000 0.466 289 M N 0.355 119.763 119.600 -0.319 0.000 2.080 289 M HA -0.184 4.292 4.480 -0.006 0.000 0.260 289 M C 2.127 178.316 176.300 -0.186 0.000 1.068 289 M CA 1.561 56.528 55.300 -0.556 0.000 1.109 289 M CB -0.295 31.976 32.600 -0.548 0.000 1.342 289 M HN 0.026 nan 8.290 nan 0.000 0.405 290 E N 0.143 120.289 120.200 -0.090 0.000 2.077 290 E HA -0.227 4.120 4.350 -0.006 0.000 0.193 290 E C 2.022 178.631 176.600 0.016 0.000 0.989 290 E CA 1.162 57.559 56.400 -0.006 0.000 0.800 290 E CB -0.134 29.559 29.700 -0.012 0.000 0.746 290 E HN 0.374 nan 8.360 nan 0.000 0.452 291 K N 0.821 121.217 120.400 -0.007 0.000 2.097 291 K HA -0.181 4.135 4.320 -0.006 0.000 0.206 291 K C 1.749 178.372 176.600 0.039 0.000 1.049 291 K CA 1.255 57.547 56.287 0.010 0.000 0.933 291 K CB 0.110 32.607 32.500 -0.005 0.000 0.717 291 K HN 0.092 nan 8.250 nan 0.000 0.442 292 Q N -0.836 119.001 119.800 0.062 0.000 2.365 292 Q HA 0.072 4.408 4.340 -0.006 0.000 0.203 292 Q C 0.386 176.503 176.000 0.195 0.000 0.929 292 Q CA 0.414 56.298 55.803 0.137 0.000 0.948 292 Q CB 0.691 29.548 28.738 0.198 0.000 1.043 292 Q HN 0.580 nan 8.270 nan 0.000 0.505 293 G N 0.806 109.703 108.800 0.163 0.000 2.198 293 G HA2 -0.321 3.635 3.960 -0.006 0.000 0.257 293 G HA3 -0.321 3.635 3.960 -0.006 0.000 0.257 293 G C -0.309 174.706 174.900 0.191 0.000 1.042 293 G CA -0.225 44.959 45.100 0.140 0.000 0.791 293 G HN 0.425 nan 8.290 nan 0.000 0.502 294 Y N 1.018 121.333 120.300 0.024 0.000 2.702 294 Y HA 0.307 4.854 4.550 -0.006 0.000 0.336 294 Y C 1.672 177.599 175.900 0.046 0.000 1.235 294 Y CA 0.959 59.081 58.100 0.036 0.000 1.492 294 Y CB 0.693 39.172 38.460 0.031 0.000 1.308 294 Y HN 0.416 nan 8.280 nan 0.000 0.589 295 T N 0.005 114.645 114.554 0.142 0.000 2.916 295 T HA 0.321 4.668 4.350 -0.006 0.000 0.292 295 T C -2.300 172.504 174.700 0.173 0.000 1.064 295 T CA -2.296 59.883 62.100 0.130 0.000 1.011 295 T CB 1.933 70.851 68.868 0.082 0.000 1.152 295 T HN 0.179 nan 8.240 nan 0.000 0.510 296 P HA -0.087 nan 4.420 nan 0.000 0.216 296 P C 1.726 179.268 177.300 0.403 0.000 1.153 296 P CA 0.462 63.743 63.100 0.302 0.000 0.858 296 P CB -0.040 31.816 31.700 0.260 0.000 0.789 297 L N 0.087 121.472 121.223 0.270 0.000 2.013 297 L HA -0.202 4.134 4.340 -0.006 0.000 0.212 297 L C 2.279 179.301 176.870 0.253 0.000 1.073 297 L CA 2.107 57.110 54.840 0.270 0.000 0.753 297 L CB -1.203 40.926 42.059 0.117 0.000 0.890 297 L HN -0.219 nan 8.230 nan 0.000 0.432 298 K N -0.610 119.859 120.400 0.115 0.000 2.063 298 K HA -0.179 4.138 4.320 -0.006 0.000 0.208 298 K C 1.975 178.612 176.600 0.062 0.000 1.048 298 K CA 2.119 58.405 56.287 -0.002 0.000 0.928 298 K CB -0.329 32.046 32.500 -0.207 0.000 0.713 298 K HN 0.390 nan 8.250 nan 0.000 0.442 299 M N -0.983 118.706 119.600 0.147 0.000 2.117 299 M HA -0.100 4.376 4.480 -0.006 0.000 0.262 299 M C 1.864 178.226 176.300 0.103 0.000 1.065 299 M CA 1.682 57.070 55.300 0.146 0.000 1.114 299 M CB -0.377 32.304 32.600 0.135 0.000 1.361 299 M HN 0.045 nan 8.290 nan 0.000 0.408 300 F N 0.541 120.627 119.950 0.227 0.000 2.186 300 F HA -0.192 4.331 4.527 -0.008 0.000 0.299 300 F C 2.606 178.644 175.800 0.397 0.000 1.090 300 F CA 1.430 59.611 58.000 0.302 0.000 1.307 300 F CB -0.447 38.821 39.000 0.447 0.000 1.019 300 F HN 0.173 nan 8.300 nan 0.000 0.489 301 Q N -0.502 119.631 119.800 0.555 0.000 2.124 301 Q HA -0.213 4.123 4.340 -0.006 0.000 0.202 301 Q C 2.210 178.366 176.000 0.261 0.000 0.977 301 Q CA 1.540 57.569 55.803 0.377 0.000 0.850 301 Q CB -0.241 28.569 28.738 0.120 0.000 0.901 301 Q HN 0.464 nan 8.270 nan 0.000 0.429 302 M N -0.510 119.212 119.600 0.203 0.000 2.175 302 M HA -0.083 4.393 4.480 -0.006 0.000 0.264 302 M C 2.156 178.621 176.300 0.274 0.000 1.063 302 M CA 1.412 56.844 55.300 0.220 0.000 1.119 302 M CB -0.305 32.425 32.600 0.216 0.000 1.377 302 M HN 0.340 nan 8.290 nan 0.000 0.415 303 G N 0.081 108.936 108.800 0.092 0.000 2.421 303 G HA2 -0.280 3.676 3.960 -0.006 0.000 0.216 303 G HA3 -0.280 3.676 3.960 -0.006 0.000 0.216 303 G C 1.074 176.128 174.900 0.256 0.000 1.171 303 G CA 1.395 46.426 45.100 -0.115 0.000 0.775 303 G HN 0.398 nan 8.290 nan 0.000 0.543 304 D N 0.781 121.335 120.400 0.256 0.000 2.116 304 D HA -0.173 4.463 4.640 -0.006 0.000 0.193 304 D C 2.039 178.520 176.300 0.302 0.000 0.998 304 D CA 1.565 55.728 54.000 0.271 0.000 0.836 304 D CB -0.447 40.550 40.800 0.328 0.000 0.951 304 D HN 0.277 nan 8.370 nan 0.000 0.449 305 D N -1.257 119.319 120.400 0.294 0.000 2.149 305 D HA -0.205 4.431 4.640 -0.006 0.000 0.198 305 D C 2.044 178.536 176.300 0.320 0.000 0.990 305 D CA 0.880 55.046 54.000 0.277 0.000 0.839 305 D CB -0.640 40.325 40.800 0.274 0.000 0.948 305 D HN 0.345 nan 8.370 nan 0.000 0.460 306 F N -0.736 119.381 119.950 0.277 0.000 2.102 306 F HA -0.122 4.400 4.527 -0.007 0.000 0.298 306 F C 1.904 177.650 175.800 -0.090 0.000 1.105 306 F CA 1.224 59.335 58.000 0.186 0.000 1.239 306 F CB -0.195 38.884 39.000 0.131 0.000 0.991 306 F HN -0.061 nan 8.300 nan 0.000 0.474 307 F N 0.300 120.394 119.950 0.240 0.000 2.102 307 F HA -0.224 4.298 4.527 -0.008 0.000 0.298 307 F C 2.856 178.646 175.800 -0.017 0.000 1.105 307 F CA 1.900 59.933 58.000 0.055 0.000 1.239 307 F CB -1.340 37.637 39.000 -0.038 0.000 0.991 307 F HN -0.003 nan 8.300 nan 0.000 0.474 308 T N -2.624 112.036 114.554 0.178 0.000 2.833 308 T HA -0.189 4.157 4.350 -0.006 0.000 0.269 308 T C 2.117 176.788 174.700 -0.048 0.000 1.054 308 T CA 1.213 63.349 62.100 0.059 0.000 1.135 308 T CB -0.963 67.945 68.868 0.067 0.000 0.869 308 T HN 0.324 nan 8.240 nan 0.000 0.466 309 S N 1.614 117.222 115.700 -0.153 0.000 2.423 309 S HA 0.027 4.493 4.470 -0.006 0.000 0.231 309 S C 1.872 176.268 174.600 -0.340 0.000 1.014 309 S CA 0.706 58.671 58.200 -0.391 0.000 0.965 309 S CB -0.789 61.804 63.200 -1.012 0.000 0.785 309 S HN 0.577 nan 8.310 nan 0.000 0.495 310 M N 1.106 120.576 119.600 -0.217 0.000 2.494 310 M HA 0.294 4.770 4.480 -0.006 0.000 0.232 310 M C 0.548 176.811 176.300 -0.062 0.000 1.137 310 M CA 0.027 55.249 55.300 -0.130 0.000 1.012 310 M CB -0.393 32.164 32.600 -0.072 0.000 1.567 310 M HN 0.336 nan 8.290 nan 0.000 0.486 311 N N 0.960 119.620 118.700 -0.065 0.000 2.776 311 N HA -0.141 4.595 4.740 -0.006 0.000 0.250 311 N C -1.065 174.428 175.510 -0.027 0.000 1.112 311 N CA 0.569 53.589 53.050 -0.050 0.000 0.733 311 N CB -1.208 37.242 38.487 -0.061 0.000 1.097 311 N HN 0.381 nan 8.380 nan 0.000 0.558 312 L N -0.733 120.501 121.223 0.017 0.000 2.397 312 L HA 0.490 4.826 4.340 -0.006 0.000 0.266 312 L C 0.899 177.785 176.870 0.026 0.000 1.040 312 L CA -0.826 54.042 54.840 0.047 0.000 0.800 312 L CB 0.740 42.883 42.059 0.141 0.000 1.324 312 L HN -0.005 nan 8.230 nan 0.000 0.469 313 T N 0.907 115.457 114.554 -0.005 0.000 2.814 313 T HA 0.092 4.438 4.350 -0.006 0.000 0.297 313 T C 0.026 174.693 174.700 -0.055 0.000 0.956 313 T CA -0.352 61.726 62.100 -0.036 0.000 1.123 313 T CB 0.576 69.414 68.868 -0.050 0.000 0.902 313 T HN 0.389 nan 8.240 nan 0.000 0.528 314 K N 3.766 124.155 120.400 -0.019 0.000 2.355 314 K HA 0.156 4.472 4.320 -0.006 0.000 0.270 314 K C -0.273 176.298 176.600 -0.049 0.000 1.003 314 K CA -0.514 55.776 56.287 0.004 0.000 0.957 314 K CB 0.326 32.855 32.500 0.050 0.000 0.939 314 K HN 0.521 nan 8.250 nan 0.000 0.482 315 L N 5.982 127.160 121.223 -0.075 0.000 2.462 315 L HA 0.147 4.483 4.340 -0.006 0.000 0.272 315 L C -1.595 175.267 176.870 -0.014 0.000 1.166 315 L CA -1.704 52.999 54.840 -0.229 0.000 0.880 315 L CB 0.324 42.025 42.059 -0.597 0.000 1.142 315 L HN 0.696 nan 8.230 nan 0.000 0.473 316 P HA 0.036 nan 4.420 nan 0.000 0.274 316 P C -0.117 177.277 177.300 0.157 0.000 1.246 316 P CA -0.501 62.641 63.100 0.070 0.000 0.795 316 P CB 0.970 32.691 31.700 0.035 0.000 1.006 317 Q N 0.692 120.602 119.800 0.183 0.000 2.135 317 Q HA -0.186 4.150 4.340 -0.006 0.000 0.204 317 Q C 1.365 177.460 176.000 0.159 0.000 0.981 317 Q CA 1.993 57.937 55.803 0.235 0.000 0.856 317 Q CB -1.008 27.815 28.738 0.142 0.000 0.902 317 Q HN 0.354 nan 8.270 nan 0.000 0.425 318 D N -0.901 119.536 120.400 0.061 0.000 2.149 318 D HA -0.172 4.464 4.640 -0.006 0.000 0.198 318 D C 1.430 177.691 176.300 -0.065 0.000 0.990 318 D CA 0.919 54.902 54.000 -0.029 0.000 0.839 318 D CB -0.355 40.399 40.800 -0.077 0.000 0.948 318 D HN 0.317 nan 8.370 nan 0.000 0.460 319 F N -0.298 119.534 119.950 -0.197 0.000 2.069 319 F HA -0.207 4.317 4.527 -0.005 0.000 0.298 319 F C 1.923 177.532 175.800 -0.319 0.000 1.113 319 F CA 1.674 59.475 58.000 -0.332 0.000 1.214 319 F CB -0.506 38.188 39.000 -0.510 0.000 0.978 319 F HN 0.018 nan 8.300 nan 0.000 0.474 320 W N 0.649 122.008 121.300 0.099 0.000 2.388 320 W HA -0.135 4.519 4.660 -0.010 0.000 0.294 320 W C 2.228 178.679 176.519 -0.113 0.000 1.212 320 W CA 0.731 58.068 57.345 -0.013 0.000 1.271 320 W CB -0.504 29.006 29.460 0.082 0.000 1.126 320 W HN -0.034 nan 8.180 nan 0.000 0.535 321 D N 0.038 120.499 120.400 0.102 0.000 2.149 321 D HA -0.100 4.537 4.640 -0.006 0.000 0.201 321 D C 1.655 177.905 176.300 -0.084 0.000 0.972 321 D CA 1.376 55.381 54.000 0.009 0.000 0.835 321 D CB -0.243 40.553 40.800 -0.008 0.000 0.966 321 D HN 0.226 nan 8.370 nan 0.000 0.476 322 K N -0.200 120.088 120.400 -0.187 0.000 2.367 322 K HA 0.198 4.514 4.320 -0.006 0.000 0.195 322 K C 0.608 177.059 176.600 -0.247 0.000 1.060 322 K CA -0.090 56.043 56.287 -0.257 0.000 1.022 322 K CB 0.854 33.097 32.500 -0.428 0.000 0.894 322 K HN -0.137 nan 8.250 nan 0.000 0.540 323 S N 1.262 116.741 115.700 -0.368 0.000 2.579 323 S HA 0.201 4.667 4.470 -0.006 0.000 0.275 323 S C 0.197 174.718 174.600 -0.131 0.000 1.345 323 S CA -0.079 57.909 58.200 -0.353 0.000 1.031 323 S CB 0.554 63.194 63.200 -0.934 0.000 0.892 323 S HN 0.118 nan 8.310 nan 0.000 0.529 324 I N 3.029 123.588 120.570 -0.017 0.000 2.354 324 I HA 0.287 4.453 4.170 -0.006 0.000 0.286 324 I C 0.656 176.711 176.117 -0.105 0.000 1.007 324 I CA -0.139 61.128 61.300 -0.055 0.000 1.167 324 I CB 0.892 38.853 38.000 -0.066 0.000 1.320 324 I HN 0.659 nan 8.210 nan 0.000 0.458 325 I N 1.335 121.825 120.570 -0.132 0.000 4.025 325 I HA 0.469 4.635 4.170 -0.006 0.000 0.336 325 I C 0.036 176.177 176.117 0.039 0.000 1.390 325 I CA 0.011 61.240 61.300 -0.119 0.000 1.099 325 I CB 0.260 38.038 38.000 -0.369 0.000 1.049 325 I HN 0.420 nan 8.210 nan 0.000 0.394 326 E N 1.893 122.104 120.200 0.018 0.000 2.356 326 E HA 0.355 4.701 4.350 -0.006 0.000 0.275 326 E C -1.206 175.402 176.600 0.013 0.000 0.904 326 E CA -1.018 55.405 56.400 0.038 0.000 0.757 326 E CB 2.682 32.405 29.700 0.038 0.000 1.232 326 E HN 0.091 nan 8.360 nan 0.000 0.442 327 K N 2.767 123.178 120.400 0.018 0.000 2.447 327 K HA 0.135 4.451 4.320 -0.006 0.000 0.281 327 K C -2.266 174.330 176.600 -0.006 0.000 1.031 327 K CA -1.145 55.143 56.287 0.001 0.000 1.019 327 K CB 0.199 32.703 32.500 0.008 0.000 0.918 327 K HN 0.111 nan 8.250 nan 0.000 0.476 328 P HA -0.035 nan 4.420 nan 0.000 0.267 328 P C 0.035 177.329 177.300 -0.011 0.000 1.200 328 P CA -0.062 63.026 63.100 -0.021 0.000 0.772 328 P CB 0.788 32.466 31.700 -0.037 0.000 0.855 329 T N -2.981 111.569 114.554 -0.007 0.000 3.086 329 T HA 0.061 4.408 4.350 -0.006 0.000 0.250 329 T C 0.417 175.116 174.700 -0.002 0.000 1.074 329 T CA -0.291 61.808 62.100 -0.002 0.000 0.988 329 T CB -0.582 68.287 68.868 0.002 0.000 0.988 329 T HN 0.400 nan 8.240 nan 0.000 0.530 330 D N 1.472 121.868 120.400 -0.007 0.000 2.393 330 D HA 0.349 4.985 4.640 -0.006 0.000 0.246 330 D C 1.534 177.831 176.300 -0.006 0.000 1.275 330 D CA -0.345 53.651 54.000 -0.006 0.000 0.979 330 D CB -0.112 40.683 40.800 -0.009 0.000 1.101 330 D HN 0.075 nan 8.370 nan 0.000 0.505 331 G N -1.511 107.286 108.800 -0.004 0.000 2.848 331 G HA2 -0.093 3.863 3.960 -0.006 0.000 0.208 331 G HA3 -0.093 3.863 3.960 -0.006 0.000 0.208 331 G C 0.655 175.551 174.900 -0.006 0.000 1.152 331 G CA -0.227 44.872 45.100 -0.001 0.000 0.789 331 G HN 0.596 nan 8.290 nan 0.000 0.531 332 R N 0.628 121.120 120.500 -0.014 0.000 2.694 332 R HA 0.165 4.501 4.340 -0.006 0.000 0.268 332 R C -1.350 174.932 176.300 -0.029 0.000 1.061 332 R CA -0.294 55.792 56.100 -0.023 0.000 1.133 332 R CB 0.679 30.959 30.300 -0.034 0.000 1.020 332 R HN -0.100 nan 8.270 nan 0.000 0.475 333 D N 3.007 123.387 120.400 -0.035 0.000 2.255 333 D HA 0.379 5.015 4.640 -0.006 0.000 0.249 333 D C 0.126 176.376 176.300 -0.084 0.000 1.078 333 D CA -0.155 53.819 54.000 -0.043 0.000 0.896 333 D CB 1.492 42.273 40.800 -0.031 0.000 1.194 333 D HN 0.524 nan 8.370 nan 0.000 0.429 334 L N -2.239 118.936 121.223 -0.080 0.000 2.720 334 L HA 0.550 4.887 4.340 -0.006 0.000 0.261 334 L C -1.266 175.568 176.870 -0.060 0.000 1.046 334 L CA -1.127 53.640 54.840 -0.121 0.000 0.886 334 L CB 1.517 43.497 42.059 -0.131 0.000 1.493 334 L HN -0.027 nan 8.230 nan 0.000 0.407 335 V N 0.887 120.764 119.914 -0.062 0.000 2.372 335 V HA 0.099 4.215 4.120 -0.006 0.000 0.261 335 V C 0.845 176.957 176.094 0.029 0.000 1.055 335 V CA -0.086 62.242 62.300 0.047 0.000 0.930 335 V CB 0.555 32.440 31.823 0.103 0.000 1.031 335 V HN 0.991 nan 8.190 nan 0.000 0.479 336 c N 3.264 121.898 118.600 0.058 0.000 2.495 336 c HA 0.037 4.603 4.570 -0.006 0.000 0.275 336 c C 1.511 175.619 174.090 0.030 0.000 1.392 336 c CA -0.009 56.342 56.329 0.035 0.000 1.766 336 c CB -1.209 41.323 42.510 0.037 0.000 1.933 336 c HN 0.948 nan 8.230 nan 0.000 0.519 337 H N 0.991 120.003 119.070 -0.096 0.000 3.157 337 H HA 0.307 4.859 4.556 -0.007 0.000 0.299 337 H C 0.632 175.875 175.328 -0.141 0.000 0.961 337 H CA 0.479 56.376 56.048 -0.252 0.000 1.428 337 H CB 0.387 29.631 29.762 -0.863 0.000 1.459 337 H HN 0.477 nan 8.280 nan 0.000 0.566 338 A N 4.590 127.286 122.820 -0.207 0.000 2.511 338 A HA 0.400 4.716 4.320 -0.006 0.000 0.242 338 A C -0.097 177.608 177.584 0.200 0.000 1.069 338 A CA 0.454 52.518 52.037 0.045 0.000 0.763 338 A CB -0.022 19.003 19.000 0.042 0.000 1.001 338 A HN 0.865 nan 8.150 nan 0.000 0.498 339 S N 0.237 116.130 115.700 0.322 0.000 2.570 339 S HA 0.806 5.272 4.470 -0.006 0.000 0.270 339 S C -0.671 174.228 174.600 0.498 0.000 1.149 339 S CA -0.185 58.230 58.200 0.360 0.000 0.837 339 S CB 1.460 64.869 63.200 0.348 0.000 1.124 339 S HN 2.124 nan 8.310 nan 0.000 0.465 340 A N 0.745 123.777 122.820 0.354 0.000 2.365 340 A HA 0.816 5.132 4.320 -0.006 0.000 0.318 340 A C -1.827 176.016 177.584 0.431 0.000 1.091 340 A CA -0.726 51.623 52.037 0.521 0.000 0.763 340 A CB 0.625 19.880 19.000 0.425 0.000 1.248 340 A HN 0.757 nan 8.150 nan 0.000 0.442 341 W N 0.816 122.340 121.300 0.372 0.000 2.739 341 W HA 0.509 5.164 4.660 -0.008 0.000 0.331 341 W C -0.815 175.478 176.519 -0.376 0.000 1.049 341 W CA -0.210 57.124 57.345 -0.018 0.000 1.234 341 W CB 1.932 31.426 29.460 0.057 0.000 1.404 341 W HN 0.653 nan 8.180 nan 0.000 0.477 342 D N 1.813 121.687 120.400 -0.877 0.000 2.256 342 D HA 0.316 4.952 4.640 -0.006 0.000 0.240 342 D C -0.303 175.440 176.300 -0.927 0.000 1.062 342 D CA -0.523 52.788 54.000 -1.148 0.000 0.832 342 D CB 1.008 40.622 40.800 -1.977 0.000 1.135 342 D HN 0.238 nan 8.370 nan 0.000 0.484 343 F N 2.256 121.957 119.950 -0.415 0.000 2.695 343 F HA 0.151 4.673 4.527 -0.008 0.000 0.303 343 F C 0.434 176.245 175.800 0.018 0.000 1.091 343 F CA -0.379 57.539 58.000 -0.138 0.000 1.300 343 F CB -0.148 38.792 39.000 -0.101 0.000 1.071 343 F HN 0.418 nan 8.300 nan 0.000 0.578 344 Y N -1.312 119.052 120.300 0.106 0.000 4.409 344 Y HA -0.300 4.245 4.550 -0.007 0.000 0.228 344 Y C 0.797 176.767 175.900 0.117 0.000 1.108 344 Y CA -0.204 57.972 58.100 0.127 0.000 1.955 344 Y CB -2.218 36.353 38.460 0.185 0.000 1.615 344 Y HN 0.069 nan 8.280 nan 0.000 0.665 345 L N -1.374 119.961 121.223 0.188 0.000 2.644 345 L HA 0.520 4.856 4.340 -0.006 0.000 0.187 345 L C 0.789 177.724 176.870 0.109 0.000 1.767 345 L CA -0.325 54.592 54.840 0.128 0.000 3.065 345 L CB 0.259 42.369 42.059 0.085 0.000 2.923 345 L HN -0.067 nan 8.230 nan 0.000 0.799 346 T N -0.156 114.443 114.554 0.075 0.000 2.840 346 T HA 0.261 4.608 4.350 -0.006 0.000 0.287 346 T C -0.851 173.878 174.700 0.049 0.000 0.991 346 T CA -0.389 61.753 62.100 0.071 0.000 0.964 346 T CB 1.440 70.346 68.868 0.063 0.000 0.954 346 T HN 0.497 nan 8.240 nan 0.000 0.438 347 D N 0.883 121.315 120.400 0.053 0.000 3.046 347 D HA -0.133 4.504 4.640 -0.006 0.000 0.210 347 D C -0.093 176.221 176.300 0.023 0.000 1.124 347 D CA 1.163 55.186 54.000 0.038 0.000 0.986 347 D CB -0.532 40.286 40.800 0.030 0.000 1.118 347 D HN 0.590 nan 8.370 nan 0.000 0.416 348 D N 0.638 121.048 120.400 0.017 0.000 2.468 348 D HA 0.333 4.969 4.640 -0.006 0.000 0.218 348 D C -0.323 176.022 176.300 0.075 0.000 1.155 348 D CA -0.342 53.638 54.000 -0.033 0.000 0.924 348 D CB 0.293 41.031 40.800 -0.105 0.000 1.029 348 D HN 0.092 nan 8.370 nan 0.000 0.515 349 V N 1.155 121.127 119.914 0.098 0.000 2.789 349 V HA 0.774 4.890 4.120 -0.006 0.000 0.311 349 V C -0.451 175.793 176.094 0.251 0.000 1.073 349 V CA -1.005 61.442 62.300 0.246 0.000 0.921 349 V CB 2.109 34.106 31.823 0.291 0.000 1.009 349 V HN 0.286 nan 8.190 nan 0.000 0.426 350 R N 3.034 123.719 120.500 0.308 0.000 2.707 350 R HA 0.768 5.104 4.340 -0.006 0.000 0.272 350 R C -1.567 174.934 176.300 0.335 0.000 1.011 350 R CA -0.741 55.385 56.100 0.043 0.000 0.893 350 R CB 2.828 32.874 30.300 -0.424 0.000 1.233 350 R HN 0.763 nan 8.270 nan 0.000 0.464 351 I N 1.209 121.854 120.570 0.125 0.000 2.530 351 I HA 0.358 4.524 4.170 -0.006 0.000 0.297 351 I C -0.560 175.735 176.117 0.296 0.000 1.011 351 I CA -0.734 60.783 61.300 0.362 0.000 1.107 351 I CB 2.144 40.398 38.000 0.424 0.000 1.285 351 I HN 0.367 nan 8.210 nan 0.000 0.436 352 K N 6.213 126.839 120.400 0.376 0.000 2.507 352 K HA 0.448 4.764 4.320 -0.006 0.000 0.253 352 K C -1.179 175.522 176.600 0.168 0.000 0.969 352 K CA -0.466 55.907 56.287 0.143 0.000 0.908 352 K CB 1.119 33.547 32.500 -0.121 0.000 1.127 352 K HN 0.605 nan 8.250 nan 0.000 0.437 353 Q N 3.933 123.815 119.800 0.137 0.000 2.289 353 Q HA 0.304 4.640 4.340 -0.006 0.000 0.270 353 Q C -1.421 174.649 176.000 0.117 0.000 1.038 353 Q CA -0.834 55.072 55.803 0.172 0.000 0.812 353 Q CB 1.693 30.631 28.738 0.333 0.000 1.300 353 Q HN 0.765 nan 8.270 nan 0.000 0.427 354 c N 3.917 122.565 118.600 0.079 0.000 2.615 354 c HA 0.272 4.838 4.570 -0.006 0.000 0.503 354 c C 0.247 174.387 174.090 0.084 0.000 1.039 354 c CA -0.363 56.002 56.329 0.060 0.000 1.226 354 c CB -1.756 40.773 42.510 0.030 0.000 1.447 354 c HN 0.614 nan 8.230 nan 0.000 0.572 355 T N 2.955 117.589 114.554 0.134 0.000 2.916 355 T HA 0.229 4.575 4.350 -0.006 0.000 0.303 355 T C 0.402 175.168 174.700 0.110 0.000 1.025 355 T CA 0.265 62.463 62.100 0.163 0.000 1.142 355 T CB 0.625 69.670 68.868 0.295 0.000 0.947 355 T HN 0.602 nan 8.240 nan 0.000 0.544 356 R N 1.239 121.787 120.500 0.080 0.000 2.778 356 R HA 0.536 4.872 4.340 -0.006 0.000 0.277 356 R C -0.829 175.502 176.300 0.052 0.000 0.977 356 R CA -0.961 55.173 56.100 0.056 0.000 0.950 356 R CB 1.640 31.956 30.300 0.028 0.000 1.165 356 R HN 0.360 nan 8.270 nan 0.000 0.474 357 V N 2.558 122.501 119.914 0.048 0.000 2.223 357 V HA 0.151 4.267 4.120 -0.006 0.000 0.249 357 V C 0.134 176.218 176.094 -0.018 0.000 1.233 357 V CA -0.016 62.310 62.300 0.043 0.000 1.131 357 V CB -0.430 31.436 31.823 0.072 0.000 1.298 357 V HN 0.926 nan 8.190 nan 0.000 0.498 358 T N -0.437 114.088 114.554 -0.049 0.000 2.883 358 T HA 0.355 4.701 4.350 -0.006 0.000 0.296 358 T C 0.611 175.201 174.700 -0.184 0.000 1.117 358 T CA -0.489 61.551 62.100 -0.100 0.000 1.006 358 T CB 2.154 70.978 68.868 -0.075 0.000 1.191 358 T HN 0.270 nan 8.240 nan 0.000 0.508 359 Q N 0.319 119.974 119.800 -0.242 0.000 2.061 359 Q HA -0.199 4.137 4.340 -0.006 0.000 0.204 359 Q C 1.596 177.185 176.000 -0.684 0.000 0.984 359 Q CA 2.545 58.080 55.803 -0.446 0.000 0.846 359 Q CB -0.442 28.091 28.738 -0.341 0.000 0.902 359 Q HN 0.865 nan 8.270 nan 0.000 0.421 360 D N -0.574 119.611 120.400 -0.360 0.000 2.123 360 D HA -0.210 4.426 4.640 -0.006 0.000 0.196 360 D C 1.995 178.195 176.300 -0.167 0.000 0.992 360 D CA 1.360 55.236 54.000 -0.206 0.000 0.833 360 D CB 0.058 40.835 40.800 -0.039 0.000 0.954 360 D HN 0.269 nan 8.370 nan 0.000 0.455 361 Q N -0.474 119.242 119.800 -0.140 0.000 2.167 361 Q HA -0.100 4.236 4.340 -0.006 0.000 0.202 361 Q C 2.271 178.225 176.000 -0.076 0.000 0.970 361 Q CA 0.435 56.198 55.803 -0.067 0.000 0.855 361 Q CB -0.319 28.403 28.738 -0.028 0.000 0.911 361 Q HN 0.366 nan 8.270 nan 0.000 0.438 362 L N 0.134 121.252 121.223 -0.175 0.000 2.083 362 L HA -0.155 4.181 4.340 -0.006 0.000 0.209 362 L C 1.861 178.785 176.870 0.090 0.000 1.083 362 L CA 1.539 56.328 54.840 -0.086 0.000 0.752 362 L CB -0.476 41.474 42.059 -0.182 0.000 0.899 362 L HN 0.020 nan 8.230 nan 0.000 0.433 363 F N -0.783 119.171 119.950 0.008 0.000 2.146 363 F HA -0.097 4.425 4.527 -0.007 0.000 0.298 363 F C 2.518 178.334 175.800 0.027 0.000 1.096 363 F CA 1.342 59.320 58.000 -0.036 0.000 1.275 363 F CB -1.894 37.047 39.000 -0.097 0.000 1.008 363 F HN 0.013 nan 8.300 nan 0.000 0.480 364 T N 0.123 114.785 114.554 0.181 0.000 2.746 364 T HA -0.130 4.216 4.350 -0.006 0.000 0.267 364 T C 2.367 177.147 174.700 0.133 0.000 1.039 364 T CA 1.378 63.558 62.100 0.132 0.000 1.142 364 T CB -0.657 68.248 68.868 0.062 0.000 0.866 364 T HN 0.044 nan 8.240 nan 0.000 0.444 365 V N 1.060 120.984 119.914 0.016 0.000 2.287 365 V HA -0.232 3.884 4.120 -0.006 0.000 0.248 365 V C 2.269 178.288 176.094 -0.125 0.000 1.053 365 V CA 1.902 64.066 62.300 -0.226 0.000 1.027 365 V CB -0.688 30.792 31.823 -0.572 0.000 0.646 365 V HN 0.556 nan 8.190 nan 0.000 0.447 366 H N -1.343 117.708 119.070 -0.031 0.000 2.389 366 H HA -0.145 4.407 4.556 -0.007 0.000 0.299 366 H C 2.240 177.579 175.328 0.019 0.000 1.081 366 H CA 1.874 57.916 56.048 -0.010 0.000 1.345 366 H CB -0.328 29.367 29.762 -0.111 0.000 1.393 366 H HN 0.643 nan 8.280 nan 0.000 0.520 367 H N 0.850 119.966 119.070 0.078 0.000 2.290 367 H HA -0.116 4.437 4.556 -0.005 0.000 0.298 367 H C 1.876 177.222 175.328 0.030 0.000 1.087 367 H CA 1.884 57.941 56.048 0.016 0.000 1.291 367 H CB 0.249 30.039 29.762 0.047 0.000 1.369 367 H HN 0.229 nan 8.280 nan 0.000 0.492 368 E N 0.413 120.733 120.200 0.200 0.000 2.110 368 E HA -0.123 4.223 4.350 -0.006 0.000 0.193 368 E C 2.525 179.199 176.600 0.123 0.000 0.988 368 E CA 0.840 57.404 56.400 0.273 0.000 0.804 368 E CB -0.211 29.720 29.700 0.385 0.000 0.745 368 E HN 0.562 nan 8.360 nan 0.000 0.458 369 L N 0.220 121.462 121.223 0.033 0.000 2.291 369 L HA -0.032 4.304 4.340 -0.006 0.000 0.214 369 L C 2.384 179.042 176.870 -0.354 0.000 1.120 369 L CA 0.832 55.585 54.840 -0.145 0.000 0.799 369 L CB -0.528 41.470 42.059 -0.102 0.000 0.925 369 L HN 0.159 nan 8.230 nan 0.000 0.446 370 G N -1.070 107.632 108.800 -0.164 0.000 2.418 370 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.217 370 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.217 370 G C 1.369 176.049 174.900 -0.366 0.000 1.158 370 G CA 0.381 45.351 45.100 -0.217 0.000 0.771 370 G HN 0.338 nan 8.290 nan 0.000 0.545 371 H N 0.602 119.500 119.070 -0.286 0.000 2.293 371 H HA -0.039 4.513 4.556 -0.007 0.000 0.300 371 H C 2.799 177.582 175.328 -0.909 0.000 1.082 371 H CA 1.156 56.952 56.048 -0.420 0.000 1.308 371 H CB -0.241 29.317 29.762 -0.339 0.000 1.375 371 H HN 0.179 nan 8.280 nan 0.000 0.495 372 I N 1.017 121.315 120.570 -0.453 0.000 2.163 372 I HA -0.270 3.896 4.170 -0.006 0.000 0.243 372 I C 2.616 178.502 176.117 -0.385 0.000 1.085 372 I CA 1.263 62.372 61.300 -0.319 0.000 1.347 372 I CB -1.050 36.834 38.000 -0.194 0.000 1.044 372 I HN 0.222 nan 8.210 nan 0.000 0.408 373 Q N 0.474 119.950 119.800 -0.540 0.000 2.096 373 Q HA -0.242 4.094 4.340 -0.006 0.000 0.204 373 Q C 2.326 178.137 176.000 -0.315 0.000 0.982 373 Q CA 1.808 57.305 55.803 -0.509 0.000 0.850 373 Q CB -0.698 27.590 28.738 -0.750 0.000 0.901 373 Q HN 0.575 nan 8.270 nan 0.000 0.422 374 Y N -0.960 119.035 120.300 -0.508 0.000 2.128 374 Y HA -0.292 4.253 4.550 -0.008 0.000 0.284 374 Y C 1.596 176.969 175.900 -0.878 0.000 1.154 374 Y CA 0.855 58.598 58.100 -0.596 0.000 1.149 374 Y CB -0.037 37.974 38.460 -0.747 0.000 0.976 374 Y HN 0.171 nan 8.280 nan 0.000 0.505 375 F N -0.040 119.639 119.950 -0.451 0.000 2.126 375 F HA -0.293 4.229 4.527 -0.009 0.000 0.299 375 F C 2.154 177.732 175.800 -0.369 0.000 1.096 375 F CA 1.189 58.867 58.000 -0.536 0.000 1.255 375 F CB -1.330 37.574 39.000 -0.160 0.000 0.997 375 F HN 0.046 nan 8.300 nan 0.000 0.479 376 L N -0.768 120.431 121.223 -0.040 0.000 2.093 376 L HA -0.177 4.159 4.340 -0.006 0.000 0.208 376 L C 2.567 179.460 176.870 0.038 0.000 1.085 376 L CA 0.944 55.783 54.840 -0.001 0.000 0.755 376 L CB -0.690 41.338 42.059 -0.052 0.000 0.904 376 L HN 0.115 nan 8.230 nan 0.000 0.435 377 Q N -0.117 119.681 119.800 -0.005 0.000 2.167 377 Q HA -0.169 4.167 4.340 -0.006 0.000 0.202 377 Q C 1.623 177.814 176.000 0.319 0.000 0.970 377 Q CA 1.398 57.279 55.803 0.131 0.000 0.855 377 Q CB -0.046 28.752 28.738 0.101 0.000 0.911 377 Q HN 0.730 nan 8.270 nan 0.000 0.438 378 Y N -0.538 119.940 120.300 0.298 0.000 2.555 378 Y HA 0.271 4.816 4.550 -0.007 0.000 0.259 378 Y C 1.574 177.556 175.900 0.137 0.000 1.179 378 Y CA -0.342 57.883 58.100 0.208 0.000 1.230 378 Y CB -0.865 37.676 38.460 0.135 0.000 1.146 378 Y HN 0.073 nan 8.280 nan 0.000 0.526 379 Q N 0.800 120.862 119.800 0.437 0.000 2.437 379 Q HA -0.185 4.151 4.340 -0.006 0.000 0.210 379 Q C 1.271 177.438 176.000 0.278 0.000 0.972 379 Q CA 1.669 57.676 55.803 0.340 0.000 0.903 379 Q CB -0.837 28.043 28.738 0.236 0.000 0.967 379 Q HN 0.732 nan 8.270 nan 0.000 0.486 380 H N -0.630 118.553 119.070 0.188 0.000 2.535 380 H HA 0.166 4.724 4.556 0.003 0.000 0.273 380 H C 0.185 175.597 175.328 0.139 0.000 0.983 380 H CA -0.046 56.087 56.048 0.142 0.000 1.238 380 H CB -0.031 29.805 29.762 0.123 0.000 1.412 380 H HN 0.161 nan 8.280 nan 0.000 0.562 381 Q N 2.634 122.212 119.800 -0.371 0.000 2.454 381 Q HA 0.191 4.527 4.340 -0.006 0.000 0.247 381 Q C -2.011 173.958 176.000 -0.052 0.000 1.028 381 Q CA -1.683 53.989 55.803 -0.219 0.000 0.910 381 Q CB 0.502 29.145 28.738 -0.159 0.000 1.276 381 Q HN 0.330 nan 8.270 nan 0.000 0.489 382 P HA -0.090 nan 4.420 nan 0.000 0.268 382 P C 0.499 177.732 177.300 -0.111 0.000 1.208 382 P CA 0.039 63.072 63.100 -0.110 0.000 0.777 382 P CB 0.325 31.867 31.700 -0.264 0.000 0.875 383 F N 3.507 123.343 119.950 -0.190 0.000 2.087 383 F HA -0.282 4.240 4.527 -0.008 0.000 0.299 383 F C 1.881 177.546 175.800 -0.225 0.000 1.100 383 F CA 2.519 60.412 58.000 -0.179 0.000 1.226 383 F CB -0.937 37.935 39.000 -0.213 0.000 0.983 383 F HN 0.116 nan 8.300 nan 0.000 0.479 384 V N -2.245 117.452 119.914 -0.362 0.000 2.867 384 V HA -0.248 3.868 4.120 -0.006 0.000 0.260 384 V C 1.610 177.507 176.094 -0.329 0.000 1.099 384 V CA 1.491 63.526 62.300 -0.443 0.000 1.122 384 V CB -1.579 30.016 31.823 -0.379 0.000 0.708 384 V HN 0.420 nan 8.190 nan 0.000 0.490 385 Y N 0.684 120.773 120.300 -0.351 0.000 2.457 385 Y HA 0.429 4.974 4.550 -0.008 0.000 0.263 385 Y C 1.648 177.221 175.900 -0.545 0.000 1.164 385 Y CA -0.923 56.962 58.100 -0.358 0.000 1.274 385 Y CB -0.325 37.983 38.460 -0.252 0.000 1.097 385 Y HN 0.276 nan 8.280 nan 0.000 0.523 386 R N 0.501 120.718 120.500 -0.471 0.000 4.138 386 R HA 0.262 4.599 4.340 -0.006 0.000 0.206 386 R C 0.080 175.850 176.300 -0.883 0.000 1.667 386 R CA 0.143 55.791 56.100 -0.753 0.000 1.481 386 R CB -0.014 30.191 30.300 -0.158 0.000 1.388 386 R HN -0.010 nan 8.270 nan 0.000 0.776 387 T N -1.471 112.428 114.554 -1.092 0.000 2.711 387 T HA 0.423 4.769 4.350 -0.006 0.000 0.302 387 T C -0.333 174.085 174.700 -0.470 0.000 1.373 387 T CA -0.443 61.356 62.100 -0.502 0.000 1.000 387 T CB 1.308 70.013 68.868 -0.272 0.000 1.483 387 T HN 0.429 nan 8.240 nan 0.000 0.499 388 G N 0.370 109.091 108.800 -0.133 0.000 2.569 388 G HA2 0.482 4.438 3.960 -0.006 0.000 0.249 388 G HA3 0.482 4.438 3.960 -0.006 0.000 0.249 388 G C 1.329 176.141 174.900 -0.146 0.000 1.216 388 G CA 0.195 45.149 45.100 -0.243 0.000 0.845 388 G HN 1.027 nan 8.290 nan 0.000 0.568 389 A N 1.485 124.249 122.820 -0.093 0.000 1.908 389 A HA -0.005 4.311 4.320 -0.006 0.000 0.218 389 A C 1.290 178.698 177.584 -0.293 0.000 1.181 389 A CA 2.087 53.947 52.037 -0.296 0.000 0.627 389 A CB -0.581 18.022 19.000 -0.661 0.000 0.818 389 A HN 1.057 nan 8.150 nan 0.000 0.445 390 N N -4.182 114.349 118.700 -0.282 0.000 2.732 390 N HA 0.442 5.178 4.740 -0.006 0.000 0.259 390 N C -2.942 172.537 175.510 -0.052 0.000 1.402 390 N CA -1.843 51.075 53.050 -0.220 0.000 0.829 390 N CB 0.593 38.881 38.487 -0.332 0.000 1.495 390 N HN -0.264 nan 8.380 nan 0.000 0.511 391 P HA -0.004 nan 4.420 nan 0.000 0.219 391 P C 1.246 178.616 177.300 0.116 0.000 1.146 391 P CA 1.899 64.957 63.100 -0.070 0.000 0.808 391 P CB -0.085 31.477 31.700 -0.231 0.000 0.779 392 G N -1.619 107.319 108.800 0.230 0.000 2.408 392 G HA2 -0.229 3.727 3.960 -0.006 0.000 0.217 392 G HA3 -0.229 3.727 3.960 -0.006 0.000 0.217 392 G C 1.322 176.403 174.900 0.301 0.000 1.150 392 G CA 0.200 45.444 45.100 0.240 0.000 0.776 392 G HN 0.208 nan 8.290 nan 0.000 0.542 393 F N -0.026 120.031 119.950 0.178 0.000 2.126 393 F HA -0.087 4.435 4.527 -0.008 0.000 0.299 393 F C 2.730 178.741 175.800 0.352 0.000 1.096 393 F CA 1.291 59.470 58.000 0.298 0.000 1.255 393 F CB -0.133 39.072 39.000 0.342 0.000 0.997 393 F HN 0.124 nan 8.300 nan 0.000 0.479 394 H N 0.485 119.863 119.070 0.513 0.000 2.353 394 H HA -0.120 4.433 4.556 -0.006 0.000 0.300 394 H C 2.025 177.448 175.328 0.158 0.000 1.090 394 H CA 1.562 57.871 56.048 0.436 0.000 1.327 394 H CB 0.001 29.941 29.762 0.297 0.000 1.383 394 H HN 0.219 nan 8.280 nan 0.000 0.508 395 E N 0.064 120.448 120.200 0.306 0.000 2.274 395 E HA -0.025 4.322 4.350 -0.006 0.000 0.194 395 E C 2.204 178.878 176.600 0.123 0.000 0.996 395 E CA 0.684 57.218 56.400 0.223 0.000 0.840 395 E CB -0.140 29.702 29.700 0.236 0.000 0.772 395 E HN 0.446 nan 8.360 nan 0.000 0.491 396 A N 0.870 123.749 122.820 0.098 0.000 1.970 396 A HA -0.033 4.283 4.320 -0.006 0.000 0.216 396 A C 2.514 180.088 177.584 -0.016 0.000 1.170 396 A CA 0.621 52.686 52.037 0.047 0.000 0.645 396 A CB -0.375 18.689 19.000 0.107 0.000 0.816 396 A HN 0.099 nan 8.150 nan 0.000 0.447 397 V N 0.259 120.129 119.914 -0.075 0.000 2.219 397 V HA -0.265 3.851 4.120 -0.006 0.000 0.248 397 V C 2.828 178.804 176.094 -0.197 0.000 1.053 397 V CA 2.283 64.502 62.300 -0.136 0.000 1.009 397 V CB -1.594 30.082 31.823 -0.245 0.000 0.636 397 V HN 0.555 nan 8.190 nan 0.000 0.445 398 G N -0.786 107.866 108.800 -0.248 0.000 2.432 398 G HA2 -0.228 3.728 3.960 -0.006 0.000 0.219 398 G HA3 -0.228 3.728 3.960 -0.006 0.000 0.219 398 G C 1.159 175.947 174.900 -0.186 0.000 1.135 398 G CA 0.992 45.980 45.100 -0.186 0.000 0.767 398 G HN 0.536 nan 8.290 nan 0.000 0.550 399 D N 0.061 120.361 120.400 -0.167 0.000 2.178 399 D HA -0.051 4.585 4.640 -0.006 0.000 0.202 399 D C 2.712 178.765 176.300 -0.411 0.000 0.974 399 D CA 0.305 54.142 54.000 -0.272 0.000 0.841 399 D CB -0.127 40.500 40.800 -0.288 0.000 0.953 399 D HN 0.197 nan 8.370 nan 0.000 0.478 400 V N 0.897 120.638 119.914 -0.289 0.000 2.332 400 V HA -0.222 3.894 4.120 -0.006 0.000 0.248 400 V C 2.494 178.420 176.094 -0.279 0.000 1.055 400 V CA 1.191 63.369 62.300 -0.204 0.000 1.038 400 V CB -0.439 31.462 31.823 0.130 0.000 0.651 400 V HN 0.278 nan 8.190 nan 0.000 0.450 401 L N -0.437 120.529 121.223 -0.428 0.000 2.056 401 L HA -0.109 4.227 4.340 -0.006 0.000 0.207 401 L C 2.629 179.053 176.870 -0.744 0.000 1.078 401 L CA 1.573 55.986 54.840 -0.711 0.000 0.749 401 L CB -0.868 40.596 42.059 -0.991 0.000 0.901 401 L HN 0.322 nan 8.230 nan 0.000 0.433 402 S N 0.405 115.749 115.700 -0.593 0.000 2.383 402 S HA -0.139 4.327 4.470 -0.006 0.000 0.229 402 S C 2.042 176.193 174.600 -0.749 0.000 1.030 402 S CA 1.144 58.966 58.200 -0.630 0.000 1.002 402 S CB -0.276 62.627 63.200 -0.495 0.000 0.829 402 S HN 0.290 nan 8.310 nan 0.000 0.467 403 L N 0.903 121.691 121.223 -0.725 0.000 2.079 403 L HA -0.141 4.196 4.340 -0.006 0.000 0.210 403 L C 2.515 179.093 176.870 -0.486 0.000 1.081 403 L CA 1.045 55.406 54.840 -0.798 0.000 0.752 403 L CB -0.510 40.762 42.059 -1.313 0.000 0.896 403 L HN 0.275 nan 8.230 nan 0.000 0.433 404 S N -0.823 114.710 115.700 -0.277 0.000 2.357 404 S HA -0.118 4.348 4.470 -0.006 0.000 0.221 404 S C 2.000 176.517 174.600 -0.139 0.000 1.031 404 S CA 0.992 59.180 58.200 -0.020 0.000 0.982 404 S CB -0.138 63.149 63.200 0.145 0.000 0.853 404 S HN 0.151 nan 8.310 nan 0.000 0.458 405 V N 2.700 122.386 119.914 -0.380 0.000 2.469 405 V HA -0.168 3.948 4.120 -0.006 0.000 0.251 405 V C 2.613 178.729 176.094 0.036 0.000 1.064 405 V CA 1.933 64.057 62.300 -0.294 0.000 1.066 405 V CB -1.012 30.539 31.823 -0.453 0.000 0.667 405 V HN 0.707 nan 8.190 nan 0.000 0.461 406 S N 0.160 115.791 115.700 -0.113 0.000 2.481 406 S HA -0.068 4.398 4.470 -0.006 0.000 0.231 406 S C 1.180 175.789 174.600 0.014 0.000 0.996 406 S CA 0.646 58.828 58.200 -0.030 0.000 0.942 406 S CB -0.928 62.005 63.200 -0.445 0.000 0.768 406 S HN 0.742 nan 8.310 nan 0.000 0.520 407 T N -0.012 114.552 114.554 0.017 0.000 2.930 407 T HA 0.312 4.658 4.350 -0.006 0.000 0.306 407 T C -1.859 172.841 174.700 0.001 0.000 1.045 407 T CA -1.348 60.773 62.100 0.035 0.000 1.134 407 T CB 0.671 69.591 68.868 0.086 0.000 0.961 407 T HN -0.053 nan 8.240 nan 0.000 0.545 408 P HA -0.129 nan 4.420 nan 0.000 0.216 408 P C 1.571 178.806 177.300 -0.109 0.000 1.150 408 P CA 1.108 64.056 63.100 -0.253 0.000 0.843 408 P CB 0.084 31.554 31.700 -0.384 0.000 0.787 409 K N -0.902 119.494 120.400 -0.007 0.000 2.001 409 K HA -0.271 4.045 4.320 -0.006 0.000 0.214 409 K C 2.208 178.828 176.600 0.034 0.000 1.050 409 K CA 1.848 58.154 56.287 0.032 0.000 0.934 409 K CB -0.619 31.924 32.500 0.071 0.000 0.718 409 K HN 0.128 nan 8.250 nan 0.000 0.443 410 H N 0.117 119.185 119.070 -0.003 0.000 2.357 410 H HA 0.008 4.560 4.556 -0.007 0.000 0.301 410 H C 1.903 177.211 175.328 -0.033 0.000 1.082 410 H CA 1.793 57.837 56.048 -0.005 0.000 1.342 410 H CB -0.013 29.789 29.762 0.065 0.000 1.389 410 H HN 0.162 nan 8.280 nan 0.000 0.511 411 L N 0.094 121.317 121.223 -0.000 0.000 2.201 411 L HA -0.105 4.232 4.340 -0.006 0.000 0.212 411 L C 2.291 179.091 176.870 -0.117 0.000 1.105 411 L CA 1.194 56.000 54.840 -0.058 0.000 0.775 411 L CB -0.268 41.769 42.059 -0.037 0.000 0.913 411 L HN 0.429 nan 8.230 nan 0.000 0.440 412 E N 0.230 120.361 120.200 -0.116 0.000 2.106 412 E HA -0.202 4.144 4.350 -0.006 0.000 0.192 412 E C 2.113 178.646 176.600 -0.111 0.000 0.984 412 E CA 0.876 57.222 56.400 -0.090 0.000 0.806 412 E CB 0.055 29.724 29.700 -0.052 0.000 0.750 412 E HN 0.444 nan 8.360 nan 0.000 0.458 413 K N 0.790 121.087 120.400 -0.172 0.000 2.103 413 K HA -0.135 4.181 4.320 -0.006 0.000 0.207 413 K C 2.144 178.607 176.600 -0.229 0.000 1.048 413 K CA 1.349 57.506 56.287 -0.217 0.000 0.930 413 K CB -0.232 32.074 32.500 -0.325 0.000 0.716 413 K HN 0.307 nan 8.250 nan 0.000 0.444 414 I N -3.187 117.225 120.570 -0.263 0.000 3.875 414 I HA 0.280 4.447 4.170 -0.006 0.000 0.329 414 I C 0.686 176.772 176.117 -0.052 0.000 1.295 414 I CA 0.206 61.409 61.300 -0.161 0.000 1.129 414 I CB 0.026 37.934 38.000 -0.152 0.000 1.008 414 I HN 0.173 nan 8.210 nan 0.000 0.413 415 G N 2.159 110.920 108.800 -0.064 0.000 2.153 415 G HA2 -0.273 3.684 3.960 -0.006 0.000 0.252 415 G HA3 -0.273 3.684 3.960 -0.006 0.000 0.252 415 G C 0.593 175.475 174.900 -0.030 0.000 0.994 415 G CA 0.654 45.736 45.100 -0.030 0.000 0.698 415 G HN 0.510 nan 8.290 nan 0.000 0.521 416 L N -1.474 119.716 121.223 -0.055 0.000 2.416 416 L HA 0.401 4.737 4.340 -0.006 0.000 0.216 416 L C 1.036 177.861 176.870 -0.075 0.000 1.098 416 L CA 0.212 55.001 54.840 -0.086 0.000 0.840 416 L CB 0.228 42.215 42.059 -0.120 0.000 0.981 416 L HN 0.282 nan 8.230 nan 0.000 0.462 417 L N 0.910 122.093 121.223 -0.067 0.000 2.316 417 L HA 0.397 4.733 4.340 -0.006 0.000 0.280 417 L C -0.652 176.211 176.870 -0.012 0.000 1.006 417 L CA -0.138 54.668 54.840 -0.058 0.000 0.836 417 L CB 1.030 43.006 42.059 -0.138 0.000 1.221 417 L HN -0.093 nan 8.230 nan 0.000 0.418 418 K N 3.920 124.335 120.400 0.024 0.000 2.259 418 K HA 0.478 4.794 4.320 -0.006 0.000 0.249 418 K C -0.695 175.954 176.600 0.082 0.000 0.942 418 K CA -0.815 55.497 56.287 0.042 0.000 0.816 418 K CB 1.374 33.887 32.500 0.022 0.000 1.155 418 K HN 0.578 nan 8.250 nan 0.000 0.428 419 D N 1.191 121.636 120.400 0.074 0.000 2.708 419 D HA -0.252 4.385 4.640 -0.006 0.000 0.236 419 D C -1.045 175.316 176.300 0.101 0.000 1.146 419 D CA 1.080 55.121 54.000 0.067 0.000 0.662 419 D CB -1.144 39.679 40.800 0.039 0.000 1.059 419 D HN 0.446 nan 8.370 nan 0.000 0.428 420 Y N 0.158 120.455 120.300 -0.005 0.000 2.341 420 Y HA 0.400 4.947 4.550 -0.006 0.000 0.340 420 Y C -0.244 175.652 175.900 -0.008 0.000 0.997 420 Y CA -0.669 57.429 58.100 -0.003 0.000 1.149 420 Y CB 1.039 39.499 38.460 0.001 0.000 1.171 420 Y HN -0.131 nan 8.280 nan 0.000 0.494 421 V N 8.096 127.766 119.914 -0.407 0.000 2.347 421 V HA 0.341 4.457 4.120 -0.006 0.000 0.280 421 V C 0.215 175.993 176.094 -0.527 0.000 1.021 421 V CA -0.841 61.268 62.300 -0.318 0.000 0.847 421 V CB 1.225 32.923 31.823 -0.208 0.000 0.990 421 V HN 0.713 nan 8.190 nan 0.000 0.444 422 R N 3.650 123.992 120.500 -0.264 0.000 4.071 422 R HA 0.168 4.504 4.340 -0.006 0.000 0.220 422 R C -0.136 176.091 176.300 -0.121 0.000 1.614 422 R CA -0.462 55.547 56.100 -0.152 0.000 1.505 422 R CB -0.260 30.112 30.300 0.120 0.000 1.384 422 R HN 0.938 nan 8.270 nan 0.000 0.758 423 D N -0.647 119.642 120.400 -0.186 0.000 2.447 423 D HA 0.005 4.641 4.640 -0.006 0.000 0.265 423 D C 0.473 176.676 176.300 -0.162 0.000 1.250 423 D CA -0.504 53.403 54.000 -0.155 0.000 1.046 423 D CB 0.619 41.315 40.800 -0.173 0.000 1.095 423 D HN -0.028 nan 8.370 nan 0.000 0.555 424 D N -0.786 119.514 120.400 -0.167 0.000 2.182 424 D HA -0.135 4.501 4.640 -0.006 0.000 0.201 424 D C 1.590 177.713 176.300 -0.295 0.000 0.986 424 D CA 1.136 55.030 54.000 -0.177 0.000 0.847 424 D CB -0.038 40.677 40.800 -0.141 0.000 0.942 424 D HN 0.562 nan 8.370 nan 0.000 0.467 425 E N 0.319 120.249 120.200 -0.450 0.000 2.076 425 E HA -0.007 4.339 4.350 -0.006 0.000 0.190 425 E C 2.126 178.514 176.600 -0.354 0.000 0.979 425 E CA 0.731 56.665 56.400 -0.777 0.000 0.807 425 E CB -0.006 28.982 29.700 -1.188 0.000 0.761 425 E HN 0.172 nan 8.360 nan 0.000 0.454 426 A N 1.814 124.488 122.820 -0.244 0.000 1.933 426 A HA -0.213 4.103 4.320 -0.006 0.000 0.218 426 A C 2.115 179.701 177.584 0.003 0.000 1.175 426 A CA 1.401 53.370 52.037 -0.113 0.000 0.628 426 A CB -0.461 18.378 19.000 -0.269 0.000 0.814 426 A HN 0.063 nan 8.150 nan 0.000 0.444 427 R N -0.430 120.044 120.500 -0.044 0.000 2.081 427 R HA -0.103 4.233 4.340 -0.006 0.000 0.235 427 R C 1.812 178.105 176.300 -0.011 0.000 1.131 427 R CA 1.567 57.666 56.100 -0.002 0.000 0.960 427 R CB -0.270 30.009 30.300 -0.036 0.000 0.856 427 R HN 0.445 nan 8.270 nan 0.000 0.436 428 I N 1.763 122.277 120.570 -0.093 0.000 2.252 428 I HA -0.243 3.923 4.170 -0.006 0.000 0.245 428 I C 1.709 177.815 176.117 -0.019 0.000 1.102 428 I CA 1.237 62.445 61.300 -0.154 0.000 1.385 428 I CB -1.398 36.314 38.000 -0.479 0.000 1.064 428 I HN 0.211 nan 8.210 nan 0.000 0.414 429 N N 0.871 119.605 118.700 0.058 0.000 2.104 429 N HA -0.252 4.485 4.740 -0.006 0.000 0.190 429 N C 1.844 177.483 175.510 0.215 0.000 1.024 429 N CA 1.330 54.471 53.050 0.152 0.000 0.853 429 N CB -0.379 38.206 38.487 0.164 0.000 1.008 429 N HN 0.412 nan 8.380 nan 0.000 0.424 430 Q N 0.590 120.499 119.800 0.182 0.000 2.083 430 Q HA 0.106 4.442 4.340 -0.006 0.000 0.198 430 Q C 2.005 178.131 176.000 0.209 0.000 0.969 430 Q CA 1.013 56.927 55.803 0.185 0.000 0.838 430 Q CB -0.342 28.492 28.738 0.160 0.000 0.900 430 Q HN 0.362 nan 8.270 nan 0.000 0.436 431 L N -0.523 120.821 121.223 0.202 0.000 2.046 431 L HA -0.117 4.219 4.340 -0.006 0.000 0.208 431 L C 2.188 179.296 176.870 0.397 0.000 1.077 431 L CA 1.318 56.332 54.840 0.291 0.000 0.747 431 L CB -0.462 41.728 42.059 0.219 0.000 0.896 431 L HN 0.281 nan 8.230 nan 0.000 0.432 432 F N -0.004 120.050 119.950 0.174 0.000 2.102 432 F HA -0.273 4.250 4.527 -0.006 0.000 0.298 432 F C 2.299 178.208 175.800 0.182 0.000 1.105 432 F CA 1.344 59.441 58.000 0.162 0.000 1.239 432 F CB -0.016 39.045 39.000 0.102 0.000 0.991 432 F HN -0.044 nan 8.300 nan 0.000 0.474 433 L N 0.161 121.556 121.223 0.287 0.000 2.042 433 L HA -0.218 4.118 4.340 -0.006 0.000 0.210 433 L C 2.217 179.164 176.870 0.129 0.000 1.076 433 L CA 2.520 57.476 54.840 0.194 0.000 0.749 433 L CB -1.324 40.862 42.059 0.211 0.000 0.893 433 L HN 0.159 nan 8.230 nan 0.000 0.432 434 T N -0.089 114.581 114.554 0.193 0.000 2.746 434 T HA -0.136 4.210 4.350 -0.006 0.000 0.267 434 T C 1.913 176.733 174.700 0.200 0.000 1.039 434 T CA 1.345 63.576 62.100 0.218 0.000 1.142 434 T CB -0.605 68.470 68.868 0.344 0.000 0.866 434 T HN 0.537 nan 8.240 nan 0.000 0.444 435 A N 1.301 124.201 122.820 0.134 0.000 1.933 435 A HA 0.041 4.357 4.320 -0.006 0.000 0.218 435 A C 2.255 179.666 177.584 -0.288 0.000 1.175 435 A CA 1.055 52.913 52.037 -0.300 0.000 0.628 435 A CB -0.876 17.844 19.000 -0.466 0.000 0.814 435 A HN 0.491 nan 8.150 nan 0.000 0.444 436 L N -0.541 120.524 121.223 -0.263 0.000 2.261 436 L HA -0.179 4.157 4.340 -0.006 0.000 0.216 436 L C 2.257 179.054 176.870 -0.120 0.000 1.114 436 L CA 1.483 56.201 54.840 -0.203 0.000 0.777 436 L CB -0.350 41.678 42.059 -0.051 0.000 0.910 436 L HN 0.480 nan 8.230 nan 0.000 0.440 437 D N -0.225 120.155 120.400 -0.033 0.000 2.355 437 D HA -0.100 4.536 4.640 -0.006 0.000 0.233 437 D C 2.044 178.431 176.300 0.145 0.000 0.997 437 D CA 0.949 54.975 54.000 0.042 0.000 0.920 437 D CB 0.281 41.109 40.800 0.046 0.000 1.063 437 D HN -0.080 nan 8.370 nan 0.000 0.465 438 K N 0.485 120.974 120.400 0.147 0.000 2.103 438 K HA 0.026 4.343 4.320 -0.006 0.000 0.204 438 K C 2.084 178.816 176.600 0.220 0.000 1.052 438 K CA 0.421 56.898 56.287 0.315 0.000 0.945 438 K CB 0.118 32.808 32.500 0.317 0.000 0.722 438 K HN 0.311 nan 8.250 nan 0.000 0.443 439 I N 0.538 121.044 120.570 -0.107 0.000 2.339 439 I HA -0.119 4.047 4.170 -0.006 0.000 0.245 439 I C 2.369 178.463 176.117 -0.038 0.000 1.096 439 I CA 0.614 61.833 61.300 -0.136 0.000 1.408 439 I CB -1.068 36.738 38.000 -0.324 0.000 1.092 439 I HN -0.218 nan 8.210 nan 0.000 0.423 440 V N 1.146 120.986 119.914 -0.122 0.000 2.380 440 V HA -0.312 3.804 4.120 -0.006 0.000 0.251 440 V C 2.424 178.396 176.094 -0.202 0.000 1.063 440 V CA 1.894 64.034 62.300 -0.267 0.000 1.055 440 V CB -0.830 30.496 31.823 -0.828 0.000 0.657 440 V HN 0.288 nan 8.190 nan 0.000 0.455 441 F N 0.013 119.830 119.950 -0.221 0.000 2.293 441 F HA -0.107 4.416 4.527 -0.006 0.000 0.300 441 F C 1.931 177.642 175.800 -0.148 0.000 1.086 441 F CA 1.273 59.150 58.000 -0.206 0.000 1.375 441 F CB -0.155 38.618 39.000 -0.378 0.000 1.045 441 F HN 0.059 nan 8.300 nan 0.000 0.516 442 L N 0.932 122.109 121.223 -0.077 0.000 1.994 442 L HA -0.164 4.172 4.340 -0.006 0.000 0.208 442 L C -0.268 176.521 176.870 -0.134 0.000 1.071 442 L CA 1.376 56.176 54.840 -0.066 0.000 0.745 442 L CB -2.383 39.758 42.059 0.137 0.000 0.892 442 L HN 0.086 nan 8.230 nan 0.000 0.431 443 P HA -0.221 nan 4.420 nan 0.000 0.219 443 P C 1.682 178.820 177.300 -0.270 0.000 1.150 443 P CA 1.381 64.395 63.100 -0.143 0.000 0.814 443 P CB -0.129 31.533 31.700 -0.064 0.000 0.787 444 F N 1.894 121.606 119.950 -0.397 0.000 2.046 444 F HA -0.193 4.330 4.527 -0.007 0.000 0.297 444 F C 2.358 177.819 175.800 -0.564 0.000 1.123 444 F CA 2.119 59.859 58.000 -0.432 0.000 1.199 444 F CB -1.018 37.737 39.000 -0.408 0.000 0.972 444 F HN -0.073 nan 8.300 nan 0.000 0.474 445 A N 0.100 122.500 122.820 -0.700 0.000 1.908 445 A HA -0.215 4.101 4.320 -0.006 0.000 0.218 445 A C 2.192 179.522 177.584 -0.423 0.000 1.181 445 A CA 1.600 53.289 52.037 -0.580 0.000 0.627 445 A CB -1.532 17.101 19.000 -0.610 0.000 0.818 445 A HN 0.513 nan 8.150 nan 0.000 0.445 446 F N 1.892 121.458 119.950 -0.641 0.000 2.134 446 F HA -0.153 4.370 4.527 -0.006 0.000 0.299 446 F C 2.878 178.192 175.800 -0.810 0.000 1.097 446 F CA 1.880 59.449 58.000 -0.718 0.000 1.264 446 F CB -1.089 37.361 39.000 -0.917 0.000 1.001 446 F HN 0.431 nan 8.300 nan 0.000 0.479 447 T N -2.318 111.830 114.554 -0.677 0.000 2.867 447 T HA -0.201 4.146 4.350 -0.006 0.000 0.268 447 T C 2.044 176.367 174.700 -0.629 0.000 1.057 447 T CA 1.211 62.878 62.100 -0.721 0.000 1.136 447 T CB -0.372 68.098 68.868 -0.663 0.000 0.874 447 T HN 0.062 nan 8.240 nan 0.000 0.466 448 M N 1.884 121.046 119.600 -0.730 0.000 2.080 448 M HA -0.051 4.425 4.480 -0.006 0.000 0.260 448 M C 1.689 177.759 176.300 -0.384 0.000 1.068 448 M CA 1.610 56.544 55.300 -0.611 0.000 1.109 448 M CB -1.209 30.816 32.600 -0.958 0.000 1.342 448 M HN 0.267 nan 8.290 nan 0.000 0.405 449 D N -0.303 119.802 120.400 -0.490 0.000 2.240 449 D HA -0.014 4.622 4.640 -0.006 0.000 0.206 449 D C 2.026 177.665 176.300 -1.102 0.000 0.963 449 D CA 0.698 54.261 54.000 -0.728 0.000 0.863 449 D CB -0.023 40.294 40.800 -0.804 0.000 0.973 449 D HN 0.284 nan 8.370 nan 0.000 0.501 450 K N -0.192 119.684 120.400 -0.874 0.000 2.063 450 K HA -0.205 4.111 4.320 -0.006 0.000 0.208 450 K C 2.018 178.454 176.600 -0.274 0.000 1.048 450 K CA 0.999 56.957 56.287 -0.549 0.000 0.928 450 K CB -0.233 31.897 32.500 -0.616 0.000 0.713 450 K HN 0.173 nan 8.250 nan 0.000 0.442 451 Y N 1.773 121.836 120.300 -0.394 0.000 2.089 451 Y HA -0.219 4.327 4.550 -0.007 0.000 0.282 451 Y C 2.118 177.843 175.900 -0.292 0.000 1.139 451 Y CA 1.570 59.505 58.100 -0.275 0.000 1.123 451 Y CB -0.121 38.217 38.460 -0.204 0.000 0.980 451 Y HN -0.087 nan 8.280 nan 0.000 0.493 452 R N -1.198 119.043 120.500 -0.431 0.000 2.096 452 R HA -0.211 4.125 4.340 -0.006 0.000 0.235 452 R C 2.087 177.896 176.300 -0.820 0.000 1.127 452 R CA 1.499 57.158 56.100 -0.734 0.000 0.968 452 R CB -0.643 29.392 30.300 -0.443 0.000 0.861 452 R HN 0.414 nan 8.270 nan 0.000 0.440 453 W N 1.000 122.049 121.300 -0.418 0.000 2.338 453 W HA -0.159 4.496 4.660 -0.007 0.000 0.304 453 W C 2.666 179.049 176.519 -0.228 0.000 1.212 453 W CA 1.399 58.622 57.345 -0.204 0.000 1.264 453 W CB -1.349 28.096 29.460 -0.026 0.000 1.142 453 W HN 0.191 nan 8.180 nan 0.000 0.512 454 S N 0.069 115.742 115.700 -0.046 0.000 2.382 454 S HA -0.162 4.304 4.470 -0.006 0.000 0.228 454 S C 1.970 176.450 174.600 -0.200 0.000 1.027 454 S CA 1.394 59.539 58.200 -0.092 0.000 0.991 454 S CB -0.929 62.215 63.200 -0.095 0.000 0.823 454 S HN 0.249 nan 8.310 nan 0.000 0.469 455 L N -0.368 120.575 121.223 -0.466 0.000 2.044 455 L HA 0.046 4.382 4.340 -0.006 0.000 0.205 455 L C 2.642 179.403 176.870 -0.182 0.000 1.075 455 L CA 1.507 56.032 54.840 -0.526 0.000 0.747 455 L CB -0.850 40.601 42.059 -1.013 0.000 0.903 455 L HN 0.288 nan 8.230 nan 0.000 0.435 456 F N 0.444 120.255 119.950 -0.232 0.000 2.126 456 F HA -0.232 4.291 4.527 -0.007 0.000 0.299 456 F C 2.631 178.360 175.800 -0.117 0.000 1.096 456 F CA 0.793 58.672 58.000 -0.201 0.000 1.255 456 F CB -0.223 38.637 39.000 -0.233 0.000 0.997 456 F HN 0.008 nan 8.300 nan 0.000 0.479 457 R N 0.186 120.755 120.500 0.114 0.000 2.307 457 R HA 0.062 4.399 4.340 -0.006 0.000 0.199 457 R C 1.287 177.620 176.300 0.055 0.000 1.000 457 R CA 0.573 56.711 56.100 0.063 0.000 1.023 457 R CB -0.300 30.030 30.300 0.049 0.000 0.908 457 R HN 0.385 nan 8.270 nan 0.000 0.473 458 G N 1.326 110.166 108.800 0.066 0.000 2.198 458 G HA2 -0.295 3.662 3.960 -0.006 0.000 0.257 458 G HA3 -0.295 3.662 3.960 -0.006 0.000 0.257 458 G C 0.330 175.285 174.900 0.091 0.000 1.042 458 G CA 0.384 45.540 45.100 0.093 0.000 0.791 458 G HN 0.457 nan 8.290 nan 0.000 0.502 459 E N -1.304 118.938 120.200 0.069 0.000 2.385 459 E HA 0.233 4.579 4.350 -0.006 0.000 0.194 459 E C 0.694 177.354 176.600 0.100 0.000 1.013 459 E CA 0.613 57.055 56.400 0.070 0.000 0.866 459 E CB 0.642 30.372 29.700 0.049 0.000 0.832 459 E HN 0.404 nan 8.360 nan 0.000 0.500 460 V N 2.424 122.421 119.914 0.139 0.000 2.487 460 V HA 0.136 4.252 4.120 -0.006 0.000 0.298 460 V C -0.357 175.971 176.094 0.391 0.000 1.028 460 V CA -1.063 61.376 62.300 0.233 0.000 0.860 460 V CB 1.769 33.710 31.823 0.198 0.000 0.991 460 V HN 0.004 nan 8.190 nan 0.000 0.427 461 D N 3.283 123.852 120.400 0.282 0.000 2.414 461 D HA 0.116 4.752 4.640 -0.006 0.000 0.242 461 D C 1.068 177.448 176.300 0.132 0.000 1.129 461 D CA -0.053 54.062 54.000 0.192 0.000 0.885 461 D CB 1.435 42.296 40.800 0.102 0.000 1.198 461 D HN 0.453 nan 8.370 nan 0.000 0.437 462 K N 1.325 121.592 120.400 -0.222 0.000 2.160 462 K HA -0.201 4.115 4.320 -0.006 0.000 0.206 462 K C 1.704 178.047 176.600 -0.428 0.000 1.047 462 K CA 1.328 57.095 56.287 -0.866 0.000 0.930 462 K CB -0.022 32.019 32.500 -0.765 0.000 0.720 462 K HN 0.427 nan 8.250 nan 0.000 0.450 463 A N 1.076 123.808 122.820 -0.146 0.000 2.172 463 A HA -0.133 4.183 4.320 -0.006 0.000 0.216 463 A C 1.051 178.690 177.584 0.092 0.000 1.154 463 A CA 1.363 53.384 52.037 -0.027 0.000 0.701 463 A CB -0.328 18.671 19.000 -0.002 0.000 0.789 463 A HN 0.417 nan 8.150 nan 0.000 0.465 464 N N -2.347 116.464 118.700 0.185 0.000 2.177 464 N HA 0.067 4.803 4.740 -0.006 0.000 0.218 464 N C 0.544 176.339 175.510 0.474 0.000 1.182 464 N CA -0.358 52.865 53.050 0.289 0.000 0.882 464 N CB 0.180 38.816 38.487 0.249 0.000 1.052 464 N HN 0.504 nan 8.380 nan 0.000 0.519 465 W N 1.512 122.962 121.300 0.250 0.000 2.363 465 W HA 0.001 4.657 4.660 -0.006 0.000 0.296 465 W C 2.117 178.926 176.519 0.483 0.000 1.212 465 W CA 0.693 58.271 57.345 0.388 0.000 1.260 465 W CB -0.756 28.961 29.460 0.428 0.000 1.131 465 W HN 0.201 nan 8.180 nan 0.000 0.530 466 N N -0.962 118.119 118.700 0.636 0.000 2.207 466 N HA -0.116 4.621 4.740 -0.006 0.000 0.182 466 N C 1.601 177.337 175.510 0.377 0.000 1.020 466 N CA 1.780 55.093 53.050 0.439 0.000 0.858 466 N CB -0.709 38.051 38.487 0.454 0.000 0.991 466 N HN -0.090 nan 8.380 nan 0.000 0.427 467 c N 0.022 118.852 118.600 0.383 0.000 2.448 467 c HA 0.243 4.809 4.570 -0.006 0.000 0.280 467 c C 2.653 176.917 174.090 0.290 0.000 1.398 467 c CA 0.386 56.926 56.329 0.351 0.000 1.774 467 c CB -1.445 41.230 42.510 0.276 0.000 1.888 467 c HN 0.534 nan 8.230 nan 0.000 0.519 468 A N 0.010 123.016 122.820 0.310 0.000 1.972 468 A HA -0.177 4.139 4.320 -0.006 0.000 0.219 468 A C 1.847 179.552 177.584 0.201 0.000 1.169 468 A CA 1.458 53.666 52.037 0.285 0.000 0.635 468 A CB -0.697 18.515 19.000 0.353 0.000 0.810 468 A HN 0.543 nan 8.150 nan 0.000 0.446 469 F N -0.893 118.968 119.950 -0.148 0.000 2.060 469 F HA -0.130 4.393 4.527 -0.007 0.000 0.295 469 F C 2.002 177.510 175.800 -0.487 0.000 1.120 469 F CA 1.694 59.225 58.000 -0.782 0.000 1.205 469 F CB -0.580 37.589 39.000 -1.385 0.000 0.986 469 F HN 0.381 nan 8.300 nan 0.000 0.470 470 W N 0.918 122.195 121.300 -0.038 0.000 2.425 470 W HA -0.085 4.571 4.660 -0.006 0.000 0.277 470 W C 2.399 178.878 176.519 -0.068 0.000 1.231 470 W CA 0.800 58.100 57.345 -0.075 0.000 1.248 470 W CB -0.329 29.173 29.460 0.070 0.000 1.117 470 W HN -0.075 nan 8.180 nan 0.000 0.568 471 K N 0.337 120.841 120.400 0.173 0.000 2.057 471 K HA -0.168 4.148 4.320 -0.006 0.000 0.207 471 K C 1.849 178.505 176.600 0.093 0.000 1.049 471 K CA 1.335 57.705 56.287 0.139 0.000 0.931 471 K CB -0.582 32.001 32.500 0.139 0.000 0.714 471 K HN 0.221 nan 8.250 nan 0.000 0.440 472 L N 0.645 121.867 121.223 -0.001 0.000 2.027 472 L HA -0.172 4.164 4.340 -0.006 0.000 0.206 472 L C 2.452 179.325 176.870 0.006 0.000 1.074 472 L CA 0.982 55.829 54.840 0.011 0.000 0.745 472 L CB -0.314 41.650 42.059 -0.158 0.000 0.898 472 L HN 0.108 nan 8.230 nan 0.000 0.433 473 R N -0.061 120.328 120.500 -0.184 0.000 2.105 473 R HA -0.188 4.148 4.340 -0.006 0.000 0.239 473 R C 1.799 178.157 176.300 0.096 0.000 1.135 473 R CA 1.535 57.587 56.100 -0.080 0.000 0.967 473 R CB -0.941 29.302 30.300 -0.096 0.000 0.861 473 R HN 0.434 nan 8.270 nan 0.000 0.442 474 D N 0.887 121.366 120.400 0.132 0.000 2.077 474 D HA -0.186 4.450 4.640 -0.006 0.000 0.196 474 D C 1.775 178.269 176.300 0.324 0.000 0.986 474 D CA 1.412 55.506 54.000 0.156 0.000 0.829 474 D CB -0.124 40.787 40.800 0.184 0.000 0.983 474 D HN 0.317 nan 8.370 nan 0.000 0.453 475 E N -1.603 118.765 120.200 0.280 0.000 2.097 475 E HA -0.232 4.114 4.350 -0.006 0.000 0.196 475 E C 2.077 178.794 176.600 0.195 0.000 1.000 475 E CA 1.196 57.718 56.400 0.202 0.000 0.804 475 E CB -0.162 29.525 29.700 -0.022 0.000 0.740 475 E HN 0.440 nan 8.360 nan 0.000 0.454 476 Y N -0.762 119.682 120.300 0.239 0.000 2.343 476 Y HA 0.116 4.662 4.550 -0.006 0.000 0.294 476 Y C 2.519 178.605 175.900 0.311 0.000 1.122 476 Y CA 0.892 59.138 58.100 0.244 0.000 1.173 476 Y CB 0.427 38.877 38.460 -0.015 0.000 1.077 476 Y HN -0.019 nan 8.280 nan 0.000 0.542 477 S N -1.624 114.267 115.700 0.318 0.000 2.502 477 S HA 0.209 4.675 4.470 -0.006 0.000 0.215 477 S C 1.409 176.013 174.600 0.007 0.000 1.009 477 S CA 0.567 58.925 58.200 0.263 0.000 0.908 477 S CB 0.247 63.593 63.200 0.244 0.000 0.801 477 S HN 0.598 nan 8.310 nan 0.000 0.505 478 G N 2.297 110.747 108.800 -0.584 0.000 2.246 478 G HA2 -0.248 3.708 3.960 -0.006 0.000 0.273 478 G HA3 -0.248 3.708 3.960 -0.006 0.000 0.273 478 G C -0.124 174.472 174.900 -0.507 0.000 1.055 478 G CA 0.692 44.771 45.100 -1.701 0.000 0.851 478 G HN 0.603 nan 8.290 nan 0.000 0.500 479 I N -3.306 117.162 120.570 -0.171 0.000 2.957 479 I HA 1.037 5.204 4.170 -0.006 0.000 0.310 479 I C -0.384 175.713 176.117 -0.033 0.000 1.063 479 I CA -1.745 59.533 61.300 -0.037 0.000 1.033 479 I CB 2.166 40.242 38.000 0.127 0.000 1.230 479 I HN 0.422 nan 8.210 nan 0.000 0.447 480 E N 1.824 121.960 120.200 -0.107 0.000 2.412 480 E HA 0.634 4.980 4.350 -0.006 0.000 0.279 480 E C -3.121 173.191 176.600 -0.480 0.000 0.984 480 E CA -2.214 54.045 56.400 -0.235 0.000 0.788 480 E CB 1.666 31.233 29.700 -0.222 0.000 1.277 480 E HN 0.317 nan 8.360 nan 0.000 0.455 481 P HA 0.037 nan 4.420 nan 0.000 0.268 481 P C -1.875 174.805 177.300 -1.032 0.000 1.208 481 P CA -0.985 61.362 63.100 -1.254 0.000 0.777 481 P CB 0.198 31.051 31.700 -1.411 0.000 0.875 482 P HA -0.059 nan 4.420 nan 0.000 0.225 482 P C 0.159 177.023 177.300 -0.726 0.000 1.156 482 P CA 1.151 63.608 63.100 -1.072 0.000 0.787 482 P CB 0.196 30.937 31.700 -1.598 0.000 0.802 483 V N -4.142 115.347 119.914 -0.708 0.000 3.074 483 V HA 0.490 4.606 4.120 -0.006 0.000 0.314 483 V C -0.044 175.833 176.094 -0.361 0.000 1.117 483 V CA -1.428 60.625 62.300 -0.411 0.000 1.014 483 V CB 1.843 33.506 31.823 -0.267 0.000 1.057 483 V HN -0.331 nan 8.190 nan 0.000 0.438 484 V N 3.672 123.454 119.914 -0.220 0.000 2.529 484 V HA 0.366 4.482 4.120 -0.006 0.000 0.292 484 V C 0.519 176.546 176.094 -0.112 0.000 1.028 484 V CA -0.008 62.194 62.300 -0.163 0.000 1.074 484 V CB -0.123 31.644 31.823 -0.094 0.000 0.958 484 V HN 0.900 nan 8.190 nan 0.000 0.481 485 R N 3.299 123.733 120.500 -0.111 0.000 2.856 485 R HA 0.825 5.161 4.340 -0.006 0.000 0.258 485 R C 0.017 176.359 176.300 0.070 0.000 1.066 485 R CA -0.486 55.617 56.100 0.006 0.000 1.045 485 R CB 1.913 32.227 30.300 0.024 0.000 1.178 485 R HN 0.862 nan 8.270 nan 0.000 0.499 486 S N -1.133 114.650 115.700 0.138 0.000 2.819 486 S HA 0.294 4.760 4.470 -0.006 0.000 0.299 486 S C 0.167 174.887 174.600 0.200 0.000 1.192 486 S CA -0.789 57.499 58.200 0.147 0.000 0.847 486 S CB 1.367 64.627 63.200 0.100 0.000 1.224 486 S HN 0.408 nan 8.310 nan 0.000 0.537 487 E N 0.618 120.925 120.200 0.178 0.000 2.516 487 E HA 0.055 4.402 4.350 -0.006 0.000 0.199 487 E C 1.077 177.773 176.600 0.160 0.000 1.069 487 E CA 0.409 56.925 56.400 0.193 0.000 0.876 487 E CB -0.249 29.544 29.700 0.154 0.000 0.843 487 E HN 0.545 nan 8.360 nan 0.000 0.530 488 K N 0.610 121.091 120.400 0.135 0.000 2.288 488 K HA -0.021 4.295 4.320 -0.006 0.000 0.201 488 K C 0.523 177.212 176.600 0.148 0.000 1.048 488 K CA 0.574 56.928 56.287 0.113 0.000 0.956 488 K CB 0.277 32.828 32.500 0.086 0.000 0.746 488 K HN 0.088 nan 8.250 nan 0.000 0.461 489 D N -0.451 120.069 120.400 0.199 0.000 2.332 489 D HA 0.184 4.820 4.640 -0.006 0.000 0.252 489 D C -1.019 175.493 176.300 0.354 0.000 1.050 489 D CA -0.260 53.885 54.000 0.242 0.000 0.970 489 D CB 1.280 42.230 40.800 0.249 0.000 1.141 489 D HN -0.164 nan 8.370 nan 0.000 0.485 490 F N 1.189 121.207 119.950 0.113 0.000 2.941 490 F HA 0.179 4.702 4.527 -0.006 0.000 0.359 490 F C 0.018 175.795 175.800 -0.037 0.000 1.231 490 F CA -0.670 57.364 58.000 0.056 0.000 1.089 490 F CB 1.109 40.137 39.000 0.047 0.000 1.407 490 F HN 0.070 nan 8.300 nan 0.000 0.538 491 D N 3.089 123.214 120.400 -0.459 0.000 2.355 491 D HA 0.114 4.750 4.640 -0.006 0.000 0.206 491 D C 2.078 177.870 176.300 -0.847 0.000 1.010 491 D CA 0.856 54.675 54.000 -0.302 0.000 0.875 491 D CB 0.486 41.477 40.800 0.319 0.000 0.966 491 D HN 0.567 nan 8.370 nan 0.000 0.512 492 A N 2.190 124.027 122.820 -1.637 0.000 1.892 492 A HA -0.143 4.173 4.320 -0.006 0.000 0.218 492 A C -0.404 176.641 177.584 -0.898 0.000 1.188 492 A CA 1.385 52.378 52.037 -1.739 0.000 0.631 492 A CB -1.493 16.497 19.000 -1.683 0.000 0.822 492 A HN 0.161 nan 8.150 nan 0.000 0.447 493 P HA 0.075 nan 4.420 nan 0.000 0.237 493 P C 1.144 178.340 177.300 -0.174 0.000 1.178 493 P CA 1.045 63.919 63.100 -0.376 0.000 0.766 493 P CB -0.052 31.512 31.700 -0.227 0.000 0.876 494 A N -0.803 121.870 122.820 -0.244 0.000 2.178 494 A HA -0.115 4.202 4.320 -0.006 0.000 0.218 494 A C 1.327 179.180 177.584 0.447 0.000 1.157 494 A CA 0.921 52.881 52.037 -0.128 0.000 0.689 494 A CB -0.846 17.718 19.000 -0.728 0.000 0.787 494 A HN 0.065 nan 8.150 nan 0.000 0.465 495 K N -0.978 119.493 120.400 0.117 0.000 2.227 495 K HA 0.335 4.652 4.320 -0.006 0.000 0.280 495 K C 0.454 176.891 176.600 -0.272 0.000 1.041 495 K CA -0.727 55.479 56.287 -0.135 0.000 0.905 495 K CB 0.251 32.589 32.500 -0.270 0.000 1.068 495 K HN 0.228 nan 8.250 nan 0.000 0.470 496 Y N 4.155 124.085 120.300 -0.617 0.000 2.069 496 Y HA -0.349 4.197 4.550 -0.007 0.000 0.278 496 Y C 1.121 176.607 175.900 -0.690 0.000 1.175 496 Y CA 2.462 59.863 58.100 -1.165 0.000 1.134 496 Y CB -0.308 37.462 38.460 -1.150 0.000 0.965 496 Y HN 0.940 nan 8.280 nan 0.000 0.498 497 H N -0.499 118.280 119.070 -0.484 0.000 2.456 497 H HA -0.116 4.436 4.556 -0.007 0.000 0.296 497 H C 2.277 177.454 175.328 -0.253 0.000 1.079 497 H CA 1.917 57.773 56.048 -0.320 0.000 1.322 497 H CB -0.338 29.491 29.762 0.113 0.000 1.388 497 H HN 0.418 nan 8.280 nan 0.000 0.538 498 I N -0.782 119.712 120.570 -0.127 0.000 2.333 498 I HA -0.193 3.973 4.170 -0.006 0.000 0.246 498 I C 2.110 178.189 176.117 -0.063 0.000 1.106 498 I CA 0.889 62.172 61.300 -0.028 0.000 1.411 498 I CB -0.180 37.747 38.000 -0.121 0.000 1.082 498 I HN 0.138 nan 8.210 nan 0.000 0.420 499 S N 0.686 116.235 115.700 -0.252 0.000 2.402 499 S HA -0.052 4.414 4.470 -0.006 0.000 0.229 499 S C 1.909 176.306 174.600 -0.338 0.000 1.021 499 S CA 1.336 59.398 58.200 -0.230 0.000 0.974 499 S CB -0.113 62.952 63.200 -0.226 0.000 0.800 499 S HN 0.519 nan 8.310 nan 0.000 0.484 500 A N 0.498 122.975 122.820 -0.571 0.000 2.275 500 A HA 0.276 4.592 4.320 -0.006 0.000 0.212 500 A C 0.531 177.944 177.584 -0.285 0.000 1.201 500 A CA 0.379 52.085 52.037 -0.552 0.000 0.843 500 A CB -0.198 18.136 19.000 -1.109 0.000 0.873 500 A HN 0.377 nan 8.150 nan 0.000 0.492 501 D N -0.846 119.448 120.400 -0.176 0.000 2.737 501 D HA -0.133 4.504 4.640 -0.006 0.000 0.238 501 D C -0.819 175.577 176.300 0.161 0.000 1.157 501 D CA 0.839 54.895 54.000 0.093 0.000 0.694 501 D CB -1.624 39.236 40.800 0.099 0.000 1.021 501 D HN 0.198 nan 8.370 nan 0.000 0.420 502 V N 1.914 121.877 119.914 0.082 0.000 2.384 502 V HA 0.278 4.394 4.120 -0.006 0.000 0.287 502 V C 0.707 176.787 176.094 -0.023 0.000 1.020 502 V CA -0.975 61.354 62.300 0.047 0.000 0.850 502 V CB 1.698 33.575 31.823 0.091 0.000 0.987 502 V HN 0.289 nan 8.190 nan 0.000 0.436 503 E N 2.743 122.681 120.200 -0.435 0.000 2.442 503 E HA -0.090 4.256 4.350 -0.006 0.000 0.262 503 E C -0.600 175.810 176.600 -0.317 0.000 1.004 503 E CA 0.452 56.281 56.400 -0.952 0.000 0.928 503 E CB 0.659 29.542 29.700 -1.361 0.000 0.937 503 E HN 0.701 nan 8.360 nan 0.000 0.446 504 Y N 3.832 123.937 120.300 -0.325 0.000 2.462 504 Y HA 0.024 4.570 4.550 -0.006 0.000 0.253 504 Y C 1.817 177.667 175.900 -0.084 0.000 1.095 504 Y CA 0.024 58.067 58.100 -0.094 0.000 1.283 504 Y CB 0.379 38.751 38.460 -0.147 0.000 1.138 504 Y HN 0.588 nan 8.280 nan 0.000 0.522 505 L N 1.436 122.641 121.223 -0.030 0.000 2.127 505 L HA -0.224 4.112 4.340 -0.006 0.000 0.211 505 L C 2.578 179.432 176.870 -0.026 0.000 1.089 505 L CA 1.796 56.629 54.840 -0.013 0.000 0.757 505 L CB -0.513 41.627 42.059 0.136 0.000 0.899 505 L HN 0.253 nan 8.230 nan 0.000 0.434 506 R N -1.786 118.677 120.500 -0.062 0.000 2.133 506 R HA -0.277 4.060 4.340 -0.006 0.000 0.247 506 R C 1.945 178.128 176.300 -0.195 0.000 1.151 506 R CA 2.356 58.381 56.100 -0.125 0.000 0.971 506 R CB -1.364 28.721 30.300 -0.358 0.000 0.866 506 R HN 0.361 nan 8.270 nan 0.000 0.447 507 Y N 0.655 120.903 120.300 -0.087 0.000 2.337 507 Y HA -0.021 4.525 4.550 -0.006 0.000 0.293 507 Y C 2.224 178.194 175.900 0.116 0.000 1.123 507 Y CA 0.560 58.664 58.100 0.006 0.000 1.201 507 Y CB -0.367 37.982 38.460 -0.186 0.000 1.011 507 Y HN 0.040 nan 8.280 nan 0.000 0.545 508 L N -0.484 120.791 121.223 0.087 0.000 2.027 508 L HA -0.127 4.209 4.340 -0.006 0.000 0.206 508 L C 2.125 179.001 176.870 0.010 0.000 1.074 508 L CA 1.454 56.275 54.840 -0.032 0.000 0.745 508 L CB -0.900 40.989 42.059 -0.283 0.000 0.898 508 L HN 0.035 nan 8.230 nan 0.000 0.433 509 V N -0.848 119.054 119.914 -0.019 0.000 2.287 509 V HA -0.302 3.814 4.120 -0.006 0.000 0.248 509 V C 2.790 178.906 176.094 0.037 0.000 1.053 509 V CA 1.900 64.191 62.300 -0.015 0.000 1.027 509 V CB -1.039 30.819 31.823 0.059 0.000 0.646 509 V HN 0.670 nan 8.190 nan 0.000 0.447 510 S N -0.452 115.326 115.700 0.131 0.000 2.359 510 S HA -0.224 4.242 4.470 -0.006 0.000 0.224 510 S C 1.901 176.618 174.600 0.196 0.000 1.035 510 S CA 1.927 60.222 58.200 0.159 0.000 1.018 510 S CB -0.515 62.856 63.200 0.285 0.000 0.876 510 S HN 0.555 nan 8.310 nan 0.000 0.448 511 F N 0.821 120.816 119.950 0.076 0.000 2.293 511 F HA 0.043 4.566 4.527 -0.006 0.000 0.300 511 F C 1.990 177.895 175.800 0.174 0.000 1.086 511 F CA 0.723 58.805 58.000 0.137 0.000 1.375 511 F CB -0.135 39.002 39.000 0.230 0.000 1.045 511 F HN 0.257 nan 8.300 nan 0.000 0.516 512 I N 0.320 121.014 120.570 0.207 0.000 2.206 512 I HA -0.241 3.925 4.170 -0.006 0.000 0.239 512 I C 2.316 178.420 176.117 -0.021 0.000 1.078 512 I CA 1.246 62.595 61.300 0.081 0.000 1.367 512 I CB -0.442 37.546 38.000 -0.020 0.000 1.078 512 I HN 0.079 nan 8.210 nan 0.000 0.413 513 I N -0.162 120.292 120.570 -0.194 0.000 2.676 513 I HA -0.218 3.949 4.170 -0.006 0.000 0.259 513 I C 2.499 178.176 176.117 -0.733 0.000 1.194 513 I CA 0.988 61.967 61.300 -0.535 0.000 1.473 513 I CB -0.762 36.779 38.000 -0.765 0.000 1.096 513 I HN 0.341 nan 8.210 nan 0.000 0.443 514 Q N 1.266 120.820 119.800 -0.409 0.000 2.181 514 Q HA -0.187 4.149 4.340 -0.006 0.000 0.205 514 Q C 1.770 177.534 176.000 -0.393 0.000 0.980 514 Q CA 1.758 57.338 55.803 -0.371 0.000 0.862 514 Q CB -0.792 27.695 28.738 -0.417 0.000 0.905 514 Q HN 0.556 nan 8.270 nan 0.000 0.429 515 F N 1.459 121.260 119.950 -0.247 0.000 2.293 515 F HA -0.013 4.511 4.527 -0.005 0.000 0.297 515 F C 2.467 178.220 175.800 -0.079 0.000 1.089 515 F CA 1.073 58.989 58.000 -0.140 0.000 1.377 515 F CB -0.024 38.886 39.000 -0.149 0.000 1.051 515 F HN 0.075 nan 8.300 nan 0.000 0.511 516 Q N -0.309 119.451 119.800 -0.066 0.000 2.050 516 Q HA -0.169 4.167 4.340 -0.006 0.000 0.202 516 Q C 2.188 178.149 176.000 -0.064 0.000 0.980 516 Q CA 1.768 57.502 55.803 -0.115 0.000 0.840 516 Q CB -0.483 28.083 28.738 -0.286 0.000 0.898 516 Q HN 0.437 nan 8.270 nan 0.000 0.424 517 F N -0.926 118.894 119.950 -0.218 0.000 2.146 517 F HA -0.249 4.276 4.527 -0.003 0.000 0.298 517 F C 2.315 178.100 175.800 -0.024 0.000 1.096 517 F CA 0.622 58.376 58.000 -0.409 0.000 1.275 517 F CB -0.254 38.333 39.000 -0.689 0.000 1.008 517 F HN 0.118 nan 8.300 nan 0.000 0.480 518 Y N 1.527 121.852 120.300 0.041 0.000 2.145 518 Y HA -0.238 4.308 4.550 -0.007 0.000 0.286 518 Y C 2.513 178.461 175.900 0.080 0.000 1.145 518 Y CA 1.770 59.879 58.100 0.016 0.000 1.148 518 Y CB -0.526 37.816 38.460 -0.196 0.000 0.981 518 Y HN -0.106 nan 8.280 nan 0.000 0.507 519 K N -0.541 119.927 120.400 0.114 0.000 2.032 519 K HA -0.186 4.131 4.320 -0.006 0.000 0.209 519 K C 2.226 178.897 176.600 0.117 0.000 1.048 519 K CA 1.930 58.257 56.287 0.066 0.000 0.927 519 K CB -0.304 32.285 32.500 0.149 0.000 0.712 519 K HN 0.303 nan 8.250 nan 0.000 0.441 520 S N 0.357 116.170 115.700 0.189 0.000 2.355 520 S HA -0.093 4.373 4.470 -0.006 0.000 0.222 520 S C 2.016 176.697 174.600 0.135 0.000 1.031 520 S CA 1.075 59.401 58.200 0.211 0.000 0.993 520 S CB -0.232 63.189 63.200 0.369 0.000 0.859 520 S HN 0.533 nan 8.310 nan 0.000 0.453 521 A N 0.502 123.436 122.820 0.190 0.000 1.933 521 A HA -0.158 4.158 4.320 -0.006 0.000 0.218 521 A C 2.377 179.965 177.584 0.006 0.000 1.175 521 A CA 1.576 53.678 52.037 0.107 0.000 0.628 521 A CB -1.233 17.932 19.000 0.276 0.000 0.814 521 A HN 0.623 nan 8.150 nan 0.000 0.444 522 c N -0.845 117.705 118.600 -0.084 0.000 2.446 522 c HA -0.016 4.550 4.570 -0.006 0.000 0.277 522 c C 2.547 176.652 174.090 0.025 0.000 1.275 522 c CA 0.801 57.067 56.329 -0.106 0.000 1.727 522 c CB -1.300 41.041 42.510 -0.281 0.000 2.010 522 c HN 0.630 nan 8.230 nan 0.000 0.486 523 I N 0.902 121.517 120.570 0.075 0.000 2.179 523 I HA -0.223 3.943 4.170 -0.006 0.000 0.242 523 I C 2.501 178.622 176.117 0.007 0.000 1.088 523 I CA 1.586 62.920 61.300 0.058 0.000 1.357 523 I CB -0.426 37.616 38.000 0.070 0.000 1.051 523 I HN 0.361 nan 8.210 nan 0.000 0.409 524 K N 0.817 121.212 120.400 -0.008 0.000 2.103 524 K HA -0.128 4.189 4.320 -0.006 0.000 0.207 524 K C 2.019 178.603 176.600 -0.027 0.000 1.048 524 K CA 1.502 57.767 56.287 -0.036 0.000 0.930 524 K CB -0.238 32.215 32.500 -0.078 0.000 0.716 524 K HN 0.319 nan 8.250 nan 0.000 0.444 525 A N 0.343 123.154 122.820 -0.014 0.000 2.206 525 A HA 0.146 4.463 4.320 -0.006 0.000 0.211 525 A C 1.428 179.010 177.584 -0.004 0.000 1.158 525 A CA 0.847 52.879 52.037 -0.009 0.000 0.761 525 A CB -0.392 18.609 19.000 0.001 0.000 0.801 525 A HN 0.417 nan 8.150 nan 0.000 0.473 526 G N -1.316 107.482 108.800 -0.003 0.000 2.160 526 G HA2 -0.262 3.694 3.960 -0.006 0.000 0.251 526 G HA3 -0.262 3.694 3.960 -0.006 0.000 0.251 526 G C 0.672 175.579 174.900 0.012 0.000 1.008 526 G CA 0.583 45.681 45.100 -0.004 0.000 0.724 526 G HN 0.440 nan 8.290 nan 0.000 0.514 527 Q N -1.718 118.099 119.800 0.029 0.000 2.384 527 Q HA 0.200 4.536 4.340 -0.006 0.000 0.207 527 Q C -0.016 176.053 176.000 0.116 0.000 0.904 527 Q CA 0.311 56.143 55.803 0.049 0.000 0.933 527 Q CB 0.703 29.456 28.738 0.025 0.000 1.077 527 Q HN 0.724 nan 8.270 nan 0.000 0.522 528 Y N 0.827 121.097 120.300 -0.049 0.000 2.346 528 Y HA 0.384 4.930 4.550 -0.007 0.000 0.332 528 Y C -1.756 174.128 175.900 -0.026 0.000 0.985 528 Y CA -1.874 56.200 58.100 -0.043 0.000 1.112 528 Y CB 1.333 39.757 38.460 -0.060 0.000 1.170 528 Y HN -0.213 nan 8.280 nan 0.000 0.447 529 D N 8.504 128.651 120.400 -0.421 0.000 2.686 529 D HA 0.361 4.997 4.640 -0.006 0.000 0.249 529 D C -2.266 173.713 176.300 -0.534 0.000 1.260 529 D CA -2.272 51.431 54.000 -0.496 0.000 0.910 529 D CB 2.811 43.489 40.800 -0.203 0.000 1.323 529 D HN 0.330 nan 8.370 nan 0.000 0.561 530 P HA -0.024 nan 4.420 nan 0.000 0.225 530 P C 0.188 177.425 177.300 -0.105 0.000 1.148 530 P CA 0.728 63.656 63.100 -0.287 0.000 0.779 530 P CB 0.614 32.195 31.700 -0.199 0.000 0.780 531 D N -1.231 119.096 120.400 -0.120 0.000 2.363 531 D HA 0.051 4.687 4.640 -0.006 0.000 0.214 531 D C 0.188 176.460 176.300 -0.046 0.000 1.093 531 D CA 0.223 54.186 54.000 -0.061 0.000 0.837 531 D CB -0.022 40.744 40.800 -0.057 0.000 0.948 531 D HN 0.110 nan 8.370 nan 0.000 0.507 532 N N 1.056 119.724 118.700 -0.053 0.000 2.442 532 N HA 0.020 4.756 4.740 -0.006 0.000 0.274 532 N C 0.704 176.213 175.510 -0.001 0.000 1.002 532 N CA -0.379 52.654 53.050 -0.028 0.000 0.910 532 N CB 2.041 40.505 38.487 -0.037 0.000 1.244 532 N HN -0.279 nan 8.380 nan 0.000 0.492 533 V N 3.355 123.272 119.914 0.005 0.000 2.594 533 V HA -0.092 4.024 4.120 -0.006 0.000 0.253 533 V C 1.324 177.430 176.094 0.020 0.000 1.069 533 V CA 1.740 64.049 62.300 0.015 0.000 1.082 533 V CB -0.146 31.682 31.823 0.009 0.000 0.680 533 V HN 0.606 nan 8.190 nan 0.000 0.469 534 E N -0.049 120.161 120.200 0.016 0.000 2.481 534 E HA 0.108 4.454 4.350 -0.006 0.000 0.195 534 E C 0.619 177.239 176.600 0.034 0.000 1.047 534 E CA 0.352 56.764 56.400 0.020 0.000 0.867 534 E CB 0.138 29.846 29.700 0.013 0.000 0.858 534 E HN 0.529 nan 8.360 nan 0.000 0.513 535 L N 2.647 123.897 121.223 0.045 0.000 2.679 535 L HA 0.282 4.618 4.340 -0.006 0.000 0.238 535 L C -2.424 174.546 176.870 0.166 0.000 1.330 535 L CA -1.630 53.258 54.840 0.081 0.000 0.935 535 L CB 1.051 43.144 42.059 0.057 0.000 1.243 535 L HN -0.205 nan 8.230 nan 0.000 0.484 536 P HA 0.078 nan 4.420 nan 0.000 0.281 536 P C 0.706 178.016 177.300 0.016 0.000 1.249 536 P CA -0.594 62.571 63.100 0.109 0.000 0.810 536 P CB 2.080 33.786 31.700 0.010 0.000 1.008 537 L N 2.532 123.623 121.223 -0.220 0.000 2.083 537 L HA -0.152 4.184 4.340 -0.006 0.000 0.209 537 L C 1.634 178.370 176.870 -0.223 0.000 1.083 537 L CA 2.021 56.572 54.840 -0.482 0.000 0.752 537 L CB -1.323 40.224 42.059 -0.853 0.000 0.899 537 L HN 0.413 nan 8.230 nan 0.000 0.433 538 D N -2.260 117.888 120.400 -0.421 0.000 2.378 538 D HA -0.146 4.490 4.640 -0.006 0.000 0.227 538 D C 0.772 177.031 176.300 -0.069 0.000 1.012 538 D CA 0.391 54.134 54.000 -0.429 0.000 0.905 538 D CB -0.336 40.080 40.800 -0.639 0.000 0.895 538 D HN 0.352 nan 8.370 nan 0.000 0.532 539 N N 0.003 118.699 118.700 -0.006 0.000 2.299 539 N HA 0.034 4.770 4.740 -0.006 0.000 0.246 539 N C -1.044 174.520 175.510 0.090 0.000 1.254 539 N CA -0.509 52.573 53.050 0.054 0.000 0.879 539 N CB 0.311 38.824 38.487 0.042 0.000 1.214 539 N HN 0.186 nan 8.380 nan 0.000 0.510 540 c N 0.587 119.257 118.600 0.117 0.000 2.585 540 c HA 0.472 5.038 4.570 -0.006 0.000 0.406 540 c C -0.053 174.128 174.090 0.151 0.000 1.312 540 c CA -0.475 55.901 56.329 0.077 0.000 1.924 540 c CB -0.361 42.085 42.510 -0.107 0.000 2.578 540 c HN 0.389 nan 8.230 nan 0.000 0.580 541 D N 3.898 124.376 120.400 0.129 0.000 2.481 541 D HA 0.338 4.974 4.640 -0.006 0.000 0.246 541 D C 0.684 177.083 176.300 0.164 0.000 1.109 541 D CA -0.643 53.473 54.000 0.194 0.000 0.845 541 D CB 0.914 41.847 40.800 0.223 0.000 1.160 541 D HN 0.645 nan 8.370 nan 0.000 0.534 542 I N 1.248 121.946 120.570 0.213 0.000 3.812 542 I HA 0.277 4.443 4.170 -0.006 0.000 0.320 542 I C 0.335 176.505 176.117 0.088 0.000 1.276 542 I CA -0.618 60.774 61.300 0.154 0.000 1.164 542 I CB -0.419 37.681 38.000 0.167 0.000 1.009 542 I HN 0.205 nan 8.210 nan 0.000 0.431 543 Y N 3.396 123.602 120.300 -0.157 0.000 2.811 543 Y HA 0.274 4.822 4.550 -0.003 0.000 0.334 543 Y C 1.541 177.266 175.900 -0.292 0.000 1.247 543 Y CA 1.278 58.995 58.100 -0.640 0.000 1.526 543 Y CB 0.493 38.551 38.460 -0.670 0.000 1.284 543 Y HN 0.448 nan 8.280 nan 0.000 0.586 544 G N 3.222 111.452 108.800 -0.951 0.000 2.189 544 G HA2 -0.316 3.640 3.960 -0.006 0.000 0.267 544 G HA3 -0.316 3.640 3.960 -0.006 0.000 0.267 544 G C 0.247 174.989 174.900 -0.263 0.000 0.975 544 G CA 0.430 45.183 45.100 -0.579 0.000 0.644 544 G HN 0.985 nan 8.290 nan 0.000 0.537 545 S N 0.443 116.029 115.700 -0.189 0.000 2.409 545 S HA 0.675 5.141 4.470 -0.006 0.000 0.308 545 S C 1.648 176.206 174.600 -0.069 0.000 1.080 545 S CA 0.647 58.794 58.200 -0.088 0.000 1.081 545 S CB 0.728 63.909 63.200 -0.031 0.000 1.009 545 S HN 1.446 nan 8.310 nan 0.000 0.502 546 A N 5.198 127.975 122.820 -0.071 0.000 1.969 546 A HA 0.142 4.458 4.320 -0.006 0.000 0.218 546 A C 2.317 179.882 177.584 -0.032 0.000 1.169 546 A CA 1.545 53.551 52.037 -0.052 0.000 0.635 546 A CB -0.981 17.985 19.000 -0.057 0.000 0.810 546 A HN 1.080 nan 8.150 nan 0.000 0.445 547 A N -0.014 122.784 122.820 -0.036 0.000 1.902 547 A HA 0.171 4.488 4.320 -0.006 0.000 0.217 547 A C 2.493 180.045 177.584 -0.053 0.000 1.181 547 A CA 1.988 53.998 52.037 -0.045 0.000 0.623 547 A CB -0.966 18.006 19.000 -0.046 0.000 0.818 547 A HN 1.006 nan 8.150 nan 0.000 0.443 548 A N -0.521 122.291 122.820 -0.013 0.000 1.930 548 A HA 0.165 4.481 4.320 -0.006 0.000 0.217 548 A C 2.397 180.078 177.584 0.162 0.000 1.175 548 A CA 1.794 53.856 52.037 0.043 0.000 0.627 548 A CB -1.349 17.729 19.000 0.130 0.000 0.815 548 A HN 0.731 nan 8.150 nan 0.000 0.443 549 G N -0.377 108.502 108.800 0.132 0.000 2.442 549 G HA2 -0.018 3.938 3.960 -0.006 0.000 0.219 549 G HA3 -0.018 3.938 3.960 -0.006 0.000 0.219 549 G C 1.709 176.700 174.900 0.151 0.000 1.141 549 G CA 1.445 46.642 45.100 0.162 0.000 0.763 549 G HN 0.773 nan 8.290 nan 0.000 0.554 550 A N 1.230 124.081 122.820 0.051 0.000 1.902 550 A HA 0.255 4.571 4.320 -0.006 0.000 0.217 550 A C 2.842 180.420 177.584 -0.011 0.000 1.181 550 A CA 2.282 54.342 52.037 0.038 0.000 0.623 550 A CB -0.851 18.140 19.000 -0.014 0.000 0.818 550 A HN 0.796 nan 8.150 nan 0.000 0.443 551 A N -1.115 121.585 122.820 -0.200 0.000 1.883 551 A HA -0.042 4.274 4.320 -0.006 0.000 0.217 551 A C 1.968 179.353 177.584 -0.331 0.000 1.186 551 A CA 1.623 53.338 52.037 -0.538 0.000 0.624 551 A CB -0.791 17.439 19.000 -1.284 0.000 0.822 551 A HN 0.454 nan 8.150 nan 0.000 0.444 552 F N -0.665 119.253 119.950 -0.053 0.000 2.134 552 F HA -0.167 4.355 4.527 -0.009 0.000 0.299 552 F C 2.333 178.157 175.800 0.040 0.000 1.097 552 F CA 1.964 60.021 58.000 0.095 0.000 1.264 552 F CB -0.779 38.265 39.000 0.073 0.000 1.001 552 F HN 0.538 nan 8.300 nan 0.000 0.479 553 H N 0.235 119.399 119.070 0.157 0.000 2.321 553 H HA -0.144 4.411 4.556 -0.002 0.000 0.300 553 H C 2.063 177.435 175.328 0.073 0.000 1.087 553 H CA 2.160 58.261 56.048 0.088 0.000 1.319 553 H CB -0.452 29.340 29.762 0.051 0.000 1.379 553 H HN 0.008 nan 8.280 nan 0.000 0.501 554 N N -0.040 118.602 118.700 -0.098 0.000 2.149 554 N HA -0.176 4.560 4.740 -0.006 0.000 0.188 554 N C 2.108 177.582 175.510 -0.060 0.000 1.019 554 N CA 1.639 54.612 53.050 -0.128 0.000 0.857 554 N CB -0.341 38.116 38.487 -0.049 0.000 0.997 554 N HN 0.541 nan 8.380 nan 0.000 0.426 555 M N 0.024 119.632 119.600 0.014 0.000 2.191 555 M HA 0.047 4.523 4.480 -0.006 0.000 0.262 555 M C 1.637 177.984 176.300 0.078 0.000 1.083 555 M CA 0.972 56.320 55.300 0.081 0.000 1.154 555 M CB 0.081 32.755 32.600 0.124 0.000 1.344 555 M HN -0.030 nan 8.290 nan 0.000 0.431 556 L N 0.254 121.486 121.223 0.016 0.000 2.141 556 L HA -0.118 4.218 4.340 -0.006 0.000 0.209 556 L C 2.620 179.646 176.870 0.259 0.000 1.094 556 L CA 1.302 56.156 54.840 0.022 0.000 0.763 556 L CB -0.932 40.992 42.059 -0.227 0.000 0.908 556 L HN 0.475 nan 8.230 nan 0.000 0.437 557 S N -0.427 115.343 115.700 0.116 0.000 2.442 557 S HA -0.160 4.306 4.470 -0.006 0.000 0.236 557 S C 1.877 176.620 174.600 0.240 0.000 1.007 557 S CA 0.967 59.289 58.200 0.202 0.000 0.965 557 S CB -0.390 62.782 63.200 -0.046 0.000 0.773 557 S HN 0.388 nan 8.310 nan 0.000 0.504 558 M N 1.446 121.136 119.600 0.150 0.000 2.394 558 M HA 0.156 4.632 4.480 -0.006 0.000 0.264 558 M C 1.987 178.306 176.300 0.031 0.000 1.073 558 M CA 0.666 56.005 55.300 0.066 0.000 1.111 558 M CB -1.095 31.520 32.600 0.025 0.000 1.401 558 M HN 0.594 nan 8.290 nan 0.000 0.448 559 G N 1.005 109.922 108.800 0.194 0.000 2.651 559 G HA2 -0.372 3.584 3.960 -0.006 0.000 0.315 559 G HA3 -0.372 3.584 3.960 -0.006 0.000 0.315 559 G C 0.487 175.301 174.900 -0.143 0.000 1.258 559 G CA 0.411 45.522 45.100 0.019 0.000 1.002 559 G HN 0.644 nan 8.290 nan 0.000 0.551 560 A N -0.045 122.607 122.820 -0.280 0.000 2.545 560 A HA 0.629 4.945 4.320 -0.006 0.000 0.277 560 A C 2.088 179.339 177.584 -0.554 0.000 1.301 560 A CA 1.404 53.269 52.037 -0.288 0.000 0.935 560 A CB -0.297 18.578 19.000 -0.208 0.000 1.093 560 A HN 1.944 nan 8.150 nan 0.000 0.519 561 S N -0.177 115.044 115.700 -0.797 0.000 2.447 561 S HA 0.021 4.487 4.470 -0.006 0.000 0.233 561 S C 0.836 174.995 174.600 -0.736 0.000 1.006 561 S CA 0.695 58.054 58.200 -1.402 0.000 0.957 561 S CB 0.021 62.748 63.200 -0.788 0.000 0.773 561 S HN 0.330 nan 8.310 nan 0.000 0.507 562 K N 1.283 121.442 120.400 -0.402 0.000 2.443 562 K HA 0.557 4.873 4.320 -0.006 0.000 0.251 562 K C -3.269 173.220 176.600 -0.185 0.000 0.972 562 K CA -2.543 53.604 56.287 -0.233 0.000 0.833 562 K CB 1.155 33.564 32.500 -0.153 0.000 1.317 562 K HN -0.047 nan 8.250 nan 0.000 0.441 563 P HA -0.035 nan 4.420 nan 0.000 0.267 563 P C 1.024 178.212 177.300 -0.186 0.000 1.200 563 P CA -0.113 62.889 63.100 -0.163 0.000 0.772 563 P CB 0.227 31.811 31.700 -0.194 0.000 0.855 564 W N 3.344 124.540 121.300 -0.174 0.000 2.364 564 W HA -0.057 4.598 4.660 -0.008 0.000 0.281 564 W C -1.746 174.753 176.519 -0.034 0.000 1.219 564 W CA 1.009 58.185 57.345 -0.281 0.000 1.220 564 W CB -2.883 26.314 29.460 -0.439 0.000 1.127 564 W HN 0.315 nan 8.180 nan 0.000 0.556 565 P HA -0.116 nan 4.420 nan 0.000 0.220 565 P C 1.171 178.445 177.300 -0.043 0.000 1.148 565 P CA 2.013 64.906 63.100 -0.345 0.000 0.803 565 P CB -0.160 31.194 31.700 -0.576 0.000 0.782 566 D N -0.801 119.557 120.400 -0.069 0.000 2.183 566 D HA -0.039 4.597 4.640 -0.006 0.000 0.203 566 D C 1.938 178.281 176.300 0.072 0.000 0.969 566 D CA 1.113 55.110 54.000 -0.006 0.000 0.842 566 D CB -0.450 40.321 40.800 -0.049 0.000 0.957 566 D HN 0.085 nan 8.370 nan 0.000 0.484 567 A N 0.881 123.765 122.820 0.107 0.000 1.897 567 A HA -0.084 4.232 4.320 -0.006 0.000 0.215 567 A C 2.120 179.947 177.584 0.405 0.000 1.181 567 A CA 0.660 52.815 52.037 0.197 0.000 0.620 567 A CB -0.571 18.483 19.000 0.090 0.000 0.821 567 A HN 0.207 nan 8.150 nan 0.000 0.443 568 L N 0.245 121.809 121.223 0.568 0.000 2.046 568 L HA -0.137 4.199 4.340 -0.006 0.000 0.208 568 L C 2.192 179.290 176.870 0.380 0.000 1.077 568 L CA 2.651 57.845 54.840 0.590 0.000 0.747 568 L CB -0.679 41.775 42.059 0.658 0.000 0.896 568 L HN 0.590 nan 8.230 nan 0.000 0.432 569 E N -0.696 119.657 120.200 0.255 0.000 2.118 569 E HA -0.238 4.108 4.350 -0.006 0.000 0.195 569 E C 2.073 178.761 176.600 0.146 0.000 0.992 569 E CA 1.101 57.601 56.400 0.166 0.000 0.804 569 E CB -0.170 29.588 29.700 0.097 0.000 0.741 569 E HN 0.632 nan 8.360 nan 0.000 0.458 570 A N 0.008 122.916 122.820 0.148 0.000 2.019 570 A HA -0.147 4.169 4.320 -0.006 0.000 0.219 570 A C 1.858 179.501 177.584 0.099 0.000 1.164 570 A CA 0.924 53.021 52.037 0.100 0.000 0.644 570 A CB -0.587 18.464 19.000 0.084 0.000 0.805 570 A HN 0.468 nan 8.150 nan 0.000 0.449 571 F N 1.341 121.302 119.950 0.018 0.000 2.123 571 F HA -0.045 4.479 4.527 -0.006 0.000 0.289 571 F C 1.647 177.435 175.800 -0.019 0.000 1.099 571 F CA 1.748 59.714 58.000 -0.058 0.000 1.234 571 F CB 0.192 39.126 39.000 -0.111 0.000 1.034 571 F HN 0.447 nan 8.300 nan 0.000 0.479 572 N N -1.203 117.663 118.700 0.276 0.000 2.167 572 N HA 0.204 4.940 4.740 -0.006 0.000 0.234 572 N C 0.927 176.516 175.510 0.132 0.000 1.312 572 N CA 0.637 53.795 53.050 0.179 0.000 0.861 572 N CB 0.440 39.127 38.487 0.333 0.000 1.217 572 N HN 0.373 nan 8.380 nan 0.000 0.504 573 G N -0.004 108.871 108.800 0.126 0.000 2.179 573 G HA2 -0.294 3.662 3.960 -0.006 0.000 0.260 573 G HA3 -0.294 3.662 3.960 -0.006 0.000 0.260 573 G C -0.371 174.592 174.900 0.106 0.000 0.977 573 G CA 0.419 45.575 45.100 0.094 0.000 0.641 573 G HN 0.503 nan 8.290 nan 0.000 0.533 574 E N -0.802 119.486 120.200 0.146 0.000 2.250 574 E HA 0.679 5.025 4.350 -0.006 0.000 0.269 574 E C 0.953 177.647 176.600 0.158 0.000 1.018 574 E CA -0.817 55.668 56.400 0.141 0.000 0.873 574 E CB 0.878 30.669 29.700 0.152 0.000 1.134 574 E HN 0.275 nan 8.360 nan 0.000 0.403 575 R N 0.696 121.273 120.500 0.129 0.000 2.531 575 R HA 0.329 4.665 4.340 -0.006 0.000 0.316 575 R C -0.158 176.210 176.300 0.114 0.000 0.955 575 R CA -0.035 56.119 56.100 0.091 0.000 1.120 575 R CB 0.594 30.904 30.300 0.016 0.000 1.361 575 R HN 0.409 nan 8.270 nan 0.000 0.534 576 I N 1.310 121.995 120.570 0.192 0.000 2.465 576 I HA 0.291 4.457 4.170 -0.006 0.000 0.291 576 I C -0.162 176.138 176.117 0.304 0.000 1.014 576 I CA -0.920 60.524 61.300 0.240 0.000 1.093 576 I CB 2.134 40.223 38.000 0.148 0.000 1.267 576 I HN -0.071 nan 8.210 nan 0.000 0.431 577 M N 5.729 125.579 119.600 0.417 0.000 2.268 577 M HA 0.201 4.677 4.480 -0.006 0.000 0.349 577 M C -0.364 175.993 176.300 0.094 0.000 1.485 577 M CA 0.851 56.278 55.300 0.211 0.000 1.094 577 M CB 0.434 33.126 32.600 0.153 0.000 1.843 577 M HN 0.654 nan 8.290 nan 0.000 0.460 578 S N 2.812 118.534 115.700 0.036 0.000 2.548 578 S HA 0.637 5.103 4.470 -0.006 0.000 0.276 578 S C 0.511 175.113 174.600 0.005 0.000 1.129 578 S CA -0.390 57.828 58.200 0.029 0.000 0.931 578 S CB 1.623 64.853 63.200 0.050 0.000 1.068 578 S HN 0.897 nan 8.310 nan 0.000 0.480 579 G N 2.757 111.560 108.800 0.005 0.000 2.920 579 G HA2 0.022 3.978 3.960 -0.006 0.000 0.208 579 G HA3 0.022 3.978 3.960 -0.006 0.000 0.208 579 G C 1.099 176.006 174.900 0.011 0.000 1.159 579 G CA 0.082 45.182 45.100 -0.000 0.000 0.784 579 G HN 0.724 nan 8.290 nan 0.000 0.535 580 K N 0.628 121.046 120.400 0.029 0.000 2.032 580 K HA -0.071 4.245 4.320 -0.006 0.000 0.209 580 K C 2.677 179.309 176.600 0.054 0.000 1.048 580 K CA 1.384 57.697 56.287 0.045 0.000 0.927 580 K CB -0.207 32.326 32.500 0.056 0.000 0.712 580 K HN 0.199 nan 8.250 nan 0.000 0.441 581 A N 1.341 124.198 122.820 0.061 0.000 1.898 581 A HA -0.124 4.192 4.320 -0.006 0.000 0.216 581 A C 2.119 179.739 177.584 0.060 0.000 1.181 581 A CA 1.311 53.407 52.037 0.098 0.000 0.620 581 A CB -0.509 18.570 19.000 0.131 0.000 0.819 581 A HN 0.497 nan 8.150 nan 0.000 0.442 582 I N -0.557 119.976 120.570 -0.062 0.000 2.252 582 I HA -0.206 3.960 4.170 -0.006 0.000 0.245 582 I C 2.616 178.679 176.117 -0.090 0.000 1.102 582 I CA 1.281 62.348 61.300 -0.387 0.000 1.385 582 I CB -0.120 37.581 38.000 -0.499 0.000 1.064 582 I HN 0.321 nan 8.210 nan 0.000 0.414 583 A N 0.030 122.852 122.820 0.003 0.000 1.933 583 A HA -0.282 4.034 4.320 -0.006 0.000 0.218 583 A C 2.254 179.895 177.584 0.095 0.000 1.175 583 A CA 1.936 54.016 52.037 0.071 0.000 0.628 583 A CB -0.678 18.350 19.000 0.048 0.000 0.814 583 A HN 0.623 nan 8.150 nan 0.000 0.444 584 E N -1.581 118.664 120.200 0.075 0.000 2.072 584 E HA -0.231 4.115 4.350 -0.006 0.000 0.191 584 E C 1.806 178.430 176.600 0.040 0.000 0.985 584 E CA 1.291 57.738 56.400 0.077 0.000 0.801 584 E CB -0.340 29.419 29.700 0.098 0.000 0.750 584 E HN 0.708 nan 8.360 nan 0.000 0.452 585 Y N -0.466 119.745 120.300 -0.148 0.000 2.128 585 Y HA -0.238 4.308 4.550 -0.007 0.000 0.284 585 Y C 1.385 177.053 175.900 -0.388 0.000 1.154 585 Y CA 1.886 59.792 58.100 -0.322 0.000 1.149 585 Y CB -0.053 38.114 38.460 -0.488 0.000 0.976 585 Y HN 0.071 nan 8.280 nan 0.000 0.505 586 F N -0.157 119.890 119.950 0.162 0.000 2.765 586 F HA 0.121 4.645 4.527 -0.006 0.000 0.302 586 F C 1.969 177.812 175.800 0.071 0.000 1.111 586 F CA 0.475 58.546 58.000 0.118 0.000 1.359 586 F CB -0.310 38.743 39.000 0.087 0.000 1.097 586 F HN 0.057 nan 8.300 nan 0.000 0.577 587 E N 2.193 122.496 120.200 0.172 0.000 2.070 587 E HA -0.190 4.156 4.350 -0.006 0.000 0.197 587 E C -0.596 176.084 176.600 0.133 0.000 1.004 587 E CA 1.839 58.319 56.400 0.134 0.000 0.805 587 E CB -1.305 28.451 29.700 0.093 0.000 0.744 587 E HN 0.141 nan 8.360 nan 0.000 0.451 588 P HA -0.154 nan 4.420 nan 0.000 0.218 588 P C 1.624 179.039 177.300 0.191 0.000 1.148 588 P CA 0.959 64.129 63.100 0.117 0.000 0.822 588 P CB -0.072 31.661 31.700 0.055 0.000 0.784 589 L N 0.185 121.546 121.223 0.229 0.000 2.027 589 L HA -0.048 4.288 4.340 -0.006 0.000 0.206 589 L C 2.820 179.882 176.870 0.320 0.000 1.074 589 L CA 1.720 56.750 54.840 0.316 0.000 0.745 589 L CB -1.039 41.252 42.059 0.386 0.000 0.898 589 L HN -0.247 nan 8.230 nan 0.000 0.433 590 R N -0.798 119.848 120.500 0.242 0.000 2.096 590 R HA -0.166 4.170 4.340 -0.006 0.000 0.240 590 R C 2.060 178.448 176.300 0.146 0.000 1.139 590 R CA 2.218 58.421 56.100 0.172 0.000 0.952 590 R CB -0.460 29.919 30.300 0.131 0.000 0.854 590 R HN 0.368 nan 8.270 nan 0.000 0.436 591 V N -0.172 119.835 119.914 0.154 0.000 2.287 591 V HA -0.267 3.849 4.120 -0.006 0.000 0.248 591 V C 1.958 178.136 176.094 0.140 0.000 1.053 591 V CA 2.109 64.483 62.300 0.124 0.000 1.027 591 V CB -0.713 31.183 31.823 0.122 0.000 0.646 591 V HN 0.573 nan 8.190 nan 0.000 0.447 592 W N 0.195 121.520 121.300 0.042 0.000 2.358 592 W HA -0.181 4.475 4.660 -0.006 0.000 0.303 592 W C 2.163 178.672 176.519 -0.016 0.000 1.208 592 W CA 1.741 59.104 57.345 0.031 0.000 1.274 592 W CB -0.239 29.258 29.460 0.063 0.000 1.138 592 W HN 0.208 nan 8.180 nan 0.000 0.515 593 L N 1.226 122.533 121.223 0.139 0.000 2.056 593 L HA -0.103 4.233 4.340 -0.006 0.000 0.207 593 L C 2.256 178.992 176.870 -0.223 0.000 1.078 593 L CA 2.168 56.937 54.840 -0.118 0.000 0.749 593 L CB -1.090 41.078 42.059 0.181 0.000 0.901 593 L HN 0.056 nan 8.230 nan 0.000 0.433 594 E N -0.427 119.715 120.200 -0.098 0.000 2.058 594 E HA -0.266 4.081 4.350 -0.006 0.000 0.194 594 E C 2.133 178.631 176.600 -0.169 0.000 0.997 594 E CA 1.318 57.660 56.400 -0.097 0.000 0.801 594 E CB -0.301 29.374 29.700 -0.040 0.000 0.746 594 E HN 0.654 nan 8.360 nan 0.000 0.450 595 A N 1.079 123.767 122.820 -0.221 0.000 1.930 595 A HA -0.217 4.099 4.320 -0.006 0.000 0.217 595 A C 2.029 179.392 177.584 -0.368 0.000 1.175 595 A CA 1.631 53.517 52.037 -0.252 0.000 0.627 595 A CB -0.342 18.524 19.000 -0.223 0.000 0.815 595 A HN 0.133 nan 8.150 nan 0.000 0.443 596 E N 0.602 120.424 120.200 -0.631 0.000 2.106 596 E HA -0.153 4.193 4.350 -0.006 0.000 0.192 596 E C 1.773 178.136 176.600 -0.395 0.000 0.984 596 E CA 1.509 57.489 56.400 -0.701 0.000 0.806 596 E CB -0.219 28.654 29.700 -1.379 0.000 0.750 596 E HN 0.538 nan 8.360 nan 0.000 0.458 597 N N 0.005 118.521 118.700 -0.307 0.000 2.188 597 N HA -0.100 4.636 4.740 -0.006 0.000 0.184 597 N C 1.830 177.233 175.510 -0.178 0.000 1.018 597 N CA 1.106 54.047 53.050 -0.182 0.000 0.858 597 N CB -0.157 38.273 38.487 -0.095 0.000 0.989 597 N HN 0.282 nan 8.380 nan 0.000 0.426 598 I N 1.143 121.613 120.570 -0.166 0.000 2.252 598 I HA -0.224 3.943 4.170 -0.006 0.000 0.245 598 I C 2.161 178.197 176.117 -0.135 0.000 1.102 598 I CA 1.013 62.235 61.300 -0.130 0.000 1.385 598 I CB -0.105 37.829 38.000 -0.108 0.000 1.064 598 I HN 0.057 nan 8.210 nan 0.000 0.414 599 K N 0.579 120.882 120.400 -0.162 0.000 2.074 599 K HA -0.160 4.156 4.320 -0.006 0.000 0.209 599 K C 1.315 177.833 176.600 -0.138 0.000 1.048 599 K CA 1.347 57.551 56.287 -0.138 0.000 0.926 599 K CB -0.139 32.268 32.500 -0.155 0.000 0.713 599 K HN 0.355 nan 8.250 nan 0.000 0.444 600 N N 0.928 119.506 118.700 -0.204 0.000 2.268 600 N HA -0.049 4.687 4.740 -0.006 0.000 0.204 600 N C -0.344 175.002 175.510 -0.275 0.000 1.124 600 N CA 0.080 52.966 53.050 -0.273 0.000 0.838 600 N CB 0.384 38.570 38.487 -0.503 0.000 0.994 600 N HN 0.128 nan 8.380 nan 0.000 0.489 601 N N 0.816 119.409 118.700 -0.178 0.000 2.727 601 N HA -0.171 4.565 4.740 -0.006 0.000 0.249 601 N C -1.070 174.368 175.510 -0.121 0.000 1.048 601 N CA 0.198 53.178 53.050 -0.116 0.000 0.714 601 N CB -1.453 36.993 38.487 -0.069 0.000 0.959 601 N HN -0.076 nan 8.380 nan 0.000 0.544 602 V N 1.749 121.557 119.914 -0.176 0.000 2.508 602 V HA 0.038 4.154 4.120 -0.006 0.000 0.281 602 V C 1.030 177.127 176.094 0.006 0.000 1.041 602 V CA -0.344 61.871 62.300 -0.142 0.000 1.016 602 V CB 0.653 32.363 31.823 -0.188 0.000 0.984 602 V HN 0.463 nan 8.190 nan 0.000 0.478 603 H N 5.779 124.849 119.070 -0.000 0.000 2.886 603 H HA 0.309 4.862 4.556 -0.006 0.000 0.329 603 H C -0.417 174.962 175.328 0.085 0.000 1.044 603 H CA -0.080 55.991 56.048 0.039 0.000 1.456 603 H CB 0.385 30.183 29.762 0.060 0.000 1.464 603 H HN 0.415 nan 8.280 nan 0.000 0.573 604 I N 4.565 124.872 120.570 -0.438 0.000 2.474 604 I HA 0.464 4.631 4.170 -0.006 0.000 0.294 604 I C 0.990 176.883 176.117 -0.373 0.000 1.005 604 I CA 0.301 61.462 61.300 -0.232 0.000 1.113 604 I CB 0.844 38.756 38.000 -0.147 0.000 1.289 604 I HN 0.967 nan 8.210 nan 0.000 0.436 605 G N 5.359 114.088 108.800 -0.119 0.000 2.655 605 G HA2 -0.039 3.917 3.960 -0.006 0.000 0.680 605 G HA3 -0.039 3.917 3.960 -0.006 0.000 0.680 605 G C -1.667 173.315 174.900 0.137 0.000 1.302 605 G CA -0.432 44.509 45.100 -0.265 0.000 0.872 605 G HN 0.964 nan 8.290 nan 0.000 0.540 606 W N -1.257 120.066 121.300 0.037 0.000 3.213 606 W HA 0.734 5.390 4.660 -0.007 0.000 0.318 606 W C 0.359 176.922 176.519 0.074 0.000 1.248 606 W CA -0.751 56.656 57.345 0.103 0.000 1.187 606 W CB 0.397 29.912 29.460 0.092 0.000 1.403 606 W HN 1.165 nan 8.180 nan 0.000 0.556 607 T N -0.706 114.025 114.554 0.295 0.000 2.868 607 T HA 0.381 4.727 4.350 -0.006 0.000 0.292 607 T C 0.309 175.159 174.700 0.250 0.000 1.028 607 T CA -0.336 61.873 62.100 0.181 0.000 1.059 607 T CB 0.809 69.750 68.868 0.121 0.000 0.991 607 T HN 0.556 nan 8.240 nan 0.000 0.531 608 T N 2.758 117.410 114.554 0.162 0.000 2.902 608 T HA 0.191 4.537 4.350 -0.006 0.000 0.301 608 T C 0.749 175.526 174.700 0.129 0.000 1.012 608 T CA -0.197 62.001 62.100 0.164 0.000 1.151 608 T CB 0.556 69.486 68.868 0.103 0.000 0.946 608 T HN 0.817 nan 8.240 nan 0.000 0.542 609 S N 2.428 118.203 115.700 0.125 0.000 2.568 609 S HA 0.028 4.495 4.470 -0.006 0.000 0.282 609 S C 1.004 175.623 174.600 0.031 0.000 1.338 609 S CA -0.585 57.649 58.200 0.056 0.000 1.045 609 S CB 0.123 63.341 63.200 0.030 0.000 0.873 609 S HN 0.642 nan 8.310 nan 0.000 0.516 610 N N 2.773 121.469 118.700 -0.007 0.000 2.234 610 N HA 0.145 4.881 4.740 -0.006 0.000 0.227 610 N C 0.172 175.653 175.510 -0.049 0.000 1.151 610 N CA -0.279 52.763 53.050 -0.013 0.000 0.865 610 N CB 0.530 39.009 38.487 -0.014 0.000 1.066 610 N HN 0.469 nan 8.380 nan 0.000 0.515 611 K N 0.150 120.496 120.400 -0.090 0.000 2.444 611 K HA 0.121 4.437 4.320 -0.006 0.000 0.193 611 K C 0.125 176.632 176.600 -0.155 0.000 1.024 611 K CA 0.015 56.199 56.287 -0.172 0.000 1.077 611 K CB -0.005 32.314 32.500 -0.301 0.000 0.833 611 K HN 0.051 nan 8.250 nan 0.000 0.517 612 c N 1.593 120.168 118.600 -0.042 0.000 2.344 612 c HA 0.390 4.956 4.570 -0.006 0.000 0.326 612 c C -0.185 173.949 174.090 0.073 0.000 1.201 612 c CA -0.776 55.580 56.329 0.045 0.000 1.410 612 c CB 0.143 42.762 42.510 0.181 0.000 2.070 612 c HN 0.007 nan 8.230 nan 0.000 0.445 613 V N 7.037 126.990 119.914 0.065 0.000 2.408 613 V HA 0.273 4.389 4.120 -0.006 0.000 0.267 613 V C 0.821 176.969 176.094 0.091 0.000 1.047 613 V CA 0.429 62.767 62.300 0.064 0.000 0.937 613 V CB 1.315 33.164 31.823 0.043 0.000 0.999 613 V HN 1.031 nan 8.190 nan 0.000 0.472 614 S N 0.000 115.754 115.700 0.090 0.000 2.498 614 S HA 0.000 4.466 4.470 -0.006 0.000 0.327 614 S CA 0.000 58.260 58.200 0.099 0.000 1.107 614 S CB 0.000 63.258 63.200 0.096 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517