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 2x94_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 0.000 177.605 177.584 0.036 0.000 1.274 17 A CA 0.000 52.047 52.037 0.016 0.000 0.836 17 A CB 0.000 19.007 19.000 0.011 0.000 0.831 18 L N 0.751 122.003 121.223 0.048 0.000 2.156 18 L HA -0.057 4.284 4.340 0.002 0.000 0.208 18 L C 2.246 179.145 176.870 0.049 0.000 1.095 18 L CA 1.212 56.107 54.840 0.090 0.000 0.770 18 L CB -0.361 41.765 42.059 0.111 0.000 0.914 18 L HN 0.651 nan 8.230 nan 0.000 0.439 19 V N 0.561 120.488 119.914 0.022 0.000 2.295 19 V HA -0.313 3.808 4.120 0.002 0.000 0.246 19 V C 3.086 179.172 176.094 -0.014 0.000 1.049 19 V CA 2.424 64.721 62.300 -0.004 0.000 1.024 19 V CB -1.010 30.815 31.823 0.003 0.000 0.648 19 V HN 0.551 nan 8.190 nan 0.000 0.447 20 K N -0.097 120.307 120.400 0.006 0.000 2.097 20 K HA -0.186 4.135 4.320 0.002 0.000 0.205 20 K C 2.056 178.672 176.600 0.026 0.000 1.050 20 K CA 1.719 58.014 56.287 0.013 0.000 0.938 20 K CB -0.648 31.864 32.500 0.019 0.000 0.718 20 K HN 0.650 nan 8.250 nan 0.000 0.442 21 E N -0.104 120.122 120.200 0.042 0.000 2.072 21 E HA -0.205 4.147 4.350 0.002 0.000 0.191 21 E C 2.153 178.775 176.600 0.037 0.000 0.985 21 E CA 1.169 57.633 56.400 0.107 0.000 0.801 21 E CB 0.013 29.820 29.700 0.178 0.000 0.750 21 E HN 0.719 nan 8.360 nan 0.000 0.452 22 E N 0.246 120.314 120.200 -0.220 0.000 2.153 22 E HA -0.186 4.165 4.350 0.002 0.000 0.194 22 E C 2.072 178.535 176.600 -0.229 0.000 0.988 22 E CA 0.989 57.034 56.400 -0.592 0.000 0.811 22 E CB -0.024 29.274 29.700 -0.669 0.000 0.746 22 E HN 0.331 nan 8.360 nan 0.000 0.466 23 I N 0.711 121.226 120.570 -0.091 0.000 2.179 23 I HA -0.304 3.867 4.170 0.002 0.000 0.242 23 I C 2.535 178.675 176.117 0.038 0.000 1.088 23 I CA 1.232 62.520 61.300 -0.020 0.000 1.357 23 I CB -0.265 37.734 38.000 -0.001 0.000 1.051 23 I HN 0.164 nan 8.210 nan 0.000 0.409 24 Q N 0.570 120.423 119.800 0.090 0.000 2.124 24 Q HA -0.184 4.158 4.340 0.002 0.000 0.202 24 Q C 2.477 178.626 176.000 0.250 0.000 0.977 24 Q CA 1.678 57.591 55.803 0.183 0.000 0.850 24 Q CB -0.291 28.587 28.738 0.233 0.000 0.901 24 Q HN 0.588 nan 8.270 nan 0.000 0.429 25 A N 1.547 124.500 122.820 0.222 0.000 1.902 25 A HA -0.243 4.079 4.320 0.002 0.000 0.217 25 A C 2.009 179.653 177.584 0.100 0.000 1.181 25 A CA 1.670 53.767 52.037 0.100 0.000 0.623 25 A CB -0.451 18.661 19.000 0.186 0.000 0.818 25 A HN 0.229 nan 8.150 nan 0.000 0.443 26 K N -0.192 120.241 120.400 0.055 0.000 2.063 26 K HA -0.204 4.117 4.320 0.002 0.000 0.208 26 K C 1.896 178.501 176.600 0.007 0.000 1.048 26 K CA 1.799 58.096 56.287 0.016 0.000 0.928 26 K CB -0.183 32.319 32.500 0.002 0.000 0.713 26 K HN 0.639 nan 8.250 nan 0.000 0.442 27 E N -0.720 119.509 120.200 0.049 0.000 2.106 27 E HA -0.215 4.137 4.350 0.002 0.000 0.192 27 E C 1.841 178.474 176.600 0.055 0.000 0.984 27 E CA 1.173 57.602 56.400 0.049 0.000 0.806 27 E CB -0.201 29.545 29.700 0.077 0.000 0.750 27 E HN 0.382 nan 8.360 nan 0.000 0.458 28 Y N 1.498 121.785 120.300 -0.022 0.000 2.128 28 Y HA -0.231 4.320 4.550 0.002 0.000 0.284 28 Y C 1.888 177.694 175.900 -0.156 0.000 1.154 28 Y CA 1.486 59.560 58.100 -0.044 0.000 1.149 28 Y CB -0.199 38.237 38.460 -0.040 0.000 0.976 28 Y HN -0.056 nan 8.280 nan 0.000 0.505 29 L N -0.035 121.027 121.223 -0.267 0.000 2.056 29 L HA -0.195 4.146 4.340 0.002 0.000 0.207 29 L C 2.526 179.199 176.870 -0.328 0.000 1.078 29 L CA 1.788 56.366 54.840 -0.436 0.000 0.749 29 L CB -0.575 41.241 42.059 -0.404 0.000 0.901 29 L HN 0.262 nan 8.230 nan 0.000 0.433 30 E N 0.371 120.449 120.200 -0.203 0.000 2.058 30 E HA -0.278 4.073 4.350 0.002 0.000 0.194 30 E C 1.909 178.417 176.600 -0.153 0.000 0.997 30 E CA 1.745 58.059 56.400 -0.143 0.000 0.801 30 E CB 0.031 29.685 29.700 -0.078 0.000 0.746 30 E HN 0.390 nan 8.360 nan 0.000 0.450 31 N N -0.496 118.104 118.700 -0.167 0.000 2.171 31 N HA -0.158 4.584 4.740 0.002 0.000 0.184 31 N C 1.784 177.165 175.510 -0.215 0.000 1.021 31 N CA 0.730 53.687 53.050 -0.156 0.000 0.854 31 N CB -0.065 38.354 38.487 -0.113 0.000 0.994 31 N HN 0.101 nan 8.380 nan 0.000 0.426 32 L N 1.027 122.039 121.223 -0.352 0.000 2.046 32 L HA -0.052 4.289 4.340 0.002 0.000 0.208 32 L C 1.723 178.433 176.870 -0.267 0.000 1.077 32 L CA 1.611 56.236 54.840 -0.359 0.000 0.747 32 L CB -0.981 40.697 42.059 -0.634 0.000 0.896 32 L HN 0.261 nan 8.230 nan 0.000 0.432 33 N N 0.122 118.667 118.700 -0.258 0.000 2.069 33 N HA -0.223 4.518 4.740 0.002 0.000 0.191 33 N C 1.782 177.185 175.510 -0.177 0.000 1.031 33 N CA 1.709 54.656 53.050 -0.173 0.000 0.852 33 N CB -0.157 38.245 38.487 -0.141 0.000 1.018 33 N HN 0.463 nan 8.380 nan 0.000 0.423 34 K N 0.893 121.202 120.400 -0.151 0.000 2.097 34 K HA -0.155 4.166 4.320 0.002 0.000 0.206 34 K C 1.929 178.414 176.600 -0.191 0.000 1.049 34 K CA 0.969 57.178 56.287 -0.129 0.000 0.933 34 K CB -0.085 32.361 32.500 -0.089 0.000 0.717 34 K HN 0.338 nan 8.250 nan 0.000 0.442 35 E N 1.237 121.310 120.200 -0.212 0.000 2.072 35 E HA -0.149 4.202 4.350 0.002 0.000 0.191 35 E C 1.966 178.342 176.600 -0.373 0.000 0.985 35 E CA 0.685 56.936 56.400 -0.248 0.000 0.801 35 E CB 0.034 29.625 29.700 -0.183 0.000 0.750 35 E HN 0.195 nan 8.360 nan 0.000 0.452 36 L N 0.420 121.374 121.223 -0.448 0.000 2.056 36 L HA -0.134 4.207 4.340 0.002 0.000 0.207 36 L C 2.669 178.844 176.870 -1.158 0.000 1.078 36 L CA 1.010 55.400 54.840 -0.750 0.000 0.749 36 L CB -0.459 41.092 42.059 -0.847 0.000 0.901 36 L HN 0.244 nan 8.230 nan 0.000 0.433 37 A N 0.045 122.250 122.820 -1.024 0.000 1.902 37 A HA -0.261 4.060 4.320 0.002 0.000 0.217 37 A C 2.304 179.716 177.584 -0.287 0.000 1.181 37 A CA 2.054 53.726 52.037 -0.609 0.000 0.623 37 A CB -0.372 18.567 19.000 -0.101 0.000 0.818 37 A HN 0.216 nan 8.150 nan 0.000 0.443 38 K N -0.133 120.115 120.400 -0.254 0.000 2.062 38 K HA -0.014 4.307 4.320 0.002 0.000 0.205 38 K C 2.138 178.632 176.600 -0.178 0.000 1.051 38 K CA 1.418 57.611 56.287 -0.157 0.000 0.941 38 K CB -0.246 32.165 32.500 -0.149 0.000 0.719 38 K HN 0.450 nan 8.250 nan 0.000 0.440 39 R N -0.791 119.537 120.500 -0.286 0.000 2.092 39 R HA -0.036 4.305 4.340 0.002 0.000 0.231 39 R C 2.047 178.236 176.300 -0.185 0.000 1.119 39 R CA 1.772 57.710 56.100 -0.271 0.000 0.970 39 R CB -0.333 29.721 30.300 -0.410 0.000 0.864 39 R HN 0.208 nan 8.270 nan 0.000 0.440 40 T N 0.912 115.318 114.554 -0.247 0.000 2.857 40 T HA -0.134 4.217 4.350 0.002 0.000 0.266 40 T C 1.543 176.273 174.700 0.049 0.000 1.048 40 T CA 1.063 63.082 62.100 -0.135 0.000 1.139 40 T CB -0.347 68.341 68.868 -0.301 0.000 0.874 40 T HN 0.365 nan 8.240 nan 0.000 0.455 41 N N 1.267 120.015 118.700 0.081 0.000 2.060 41 N HA -0.152 4.589 4.740 0.002 0.000 0.195 41 N C 1.825 177.441 175.510 0.176 0.000 1.028 41 N CA 1.550 54.716 53.050 0.193 0.000 0.861 41 N CB -0.250 38.327 38.487 0.150 0.000 1.029 41 N HN 0.238 nan 8.380 nan 0.000 0.428 42 V N 1.378 121.342 119.914 0.084 0.000 2.358 42 V HA -0.147 3.974 4.120 0.002 0.000 0.246 42 V C 2.514 178.676 176.094 0.113 0.000 1.047 42 V CA 1.819 64.167 62.300 0.080 0.000 1.035 42 V CB -0.680 31.154 31.823 0.017 0.000 0.658 42 V HN 0.411 nan 8.190 nan 0.000 0.452 43 E N 0.214 120.472 120.200 0.097 0.000 2.077 43 E HA -0.220 4.131 4.350 0.002 0.000 0.193 43 E C 2.200 178.919 176.600 0.197 0.000 0.989 43 E CA 1.896 58.371 56.400 0.125 0.000 0.800 43 E CB -0.079 29.679 29.700 0.097 0.000 0.746 43 E HN 0.639 nan 8.360 nan 0.000 0.452 44 T N 1.294 115.978 114.554 0.215 0.000 2.821 44 T HA -0.112 4.239 4.350 0.002 0.000 0.267 44 T C 1.573 176.519 174.700 0.410 0.000 1.046 44 T CA 0.996 63.256 62.100 0.266 0.000 1.139 44 T CB -0.128 68.777 68.868 0.062 0.000 0.871 44 T HN 0.162 nan 8.240 nan 0.000 0.454 45 E N 1.338 121.792 120.200 0.423 0.000 2.077 45 E HA -0.074 4.277 4.350 0.002 0.000 0.193 45 E C 2.563 179.371 176.600 0.346 0.000 0.989 45 E CA 1.231 57.890 56.400 0.431 0.000 0.800 45 E CB -0.414 29.438 29.700 0.252 0.000 0.746 45 E HN 0.525 nan 8.360 nan 0.000 0.452 46 A N 1.216 124.195 122.820 0.265 0.000 1.930 46 A HA -0.007 4.314 4.320 0.002 0.000 0.217 46 A C 2.379 180.126 177.584 0.272 0.000 1.175 46 A CA 1.718 53.889 52.037 0.222 0.000 0.627 46 A CB -0.387 18.707 19.000 0.156 0.000 0.815 46 A HN 0.257 nan 8.150 nan 0.000 0.443 47 A N -1.087 121.938 122.820 0.341 0.000 1.930 47 A HA -0.147 4.174 4.320 0.002 0.000 0.217 47 A C 2.079 179.916 177.584 0.422 0.000 1.175 47 A CA 1.283 53.589 52.037 0.448 0.000 0.627 47 A CB -0.839 18.491 19.000 0.550 0.000 0.815 47 A HN 0.869 nan 8.150 nan 0.000 0.443 48 W N 0.942 122.254 121.300 0.021 0.000 2.355 48 W HA -0.171 4.490 4.660 0.002 0.000 0.309 48 W C 2.161 178.577 176.519 -0.171 0.000 1.206 48 W CA 2.057 59.124 57.345 -0.462 0.000 1.284 48 W CB -0.420 28.846 29.460 -0.324 0.000 1.145 48 W HN 0.405 nan 8.180 nan 0.000 0.502 49 A N -0.204 122.695 122.820 0.132 0.000 1.933 49 A HA -0.272 4.049 4.320 0.002 0.000 0.218 49 A C 1.845 179.434 177.584 0.008 0.000 1.175 49 A CA 1.724 53.795 52.037 0.057 0.000 0.628 49 A CB -1.565 17.532 19.000 0.161 0.000 0.814 49 A HN 0.529 nan 8.150 nan 0.000 0.444 50 Y N 0.628 120.916 120.300 -0.019 0.000 2.220 50 Y HA 0.045 4.597 4.550 0.002 0.000 0.291 50 Y C 2.409 178.284 175.900 -0.041 0.000 1.129 50 Y CA 1.333 59.433 58.100 -0.001 0.000 1.161 50 Y CB -0.771 37.727 38.460 0.062 0.000 0.997 50 Y HN 0.206 nan 8.280 nan 0.000 0.522 51 G N -1.277 107.437 108.800 -0.143 0.000 2.422 51 G HA2 -0.188 3.774 3.960 0.002 0.000 0.218 51 G HA3 -0.188 3.774 3.960 0.002 0.000 0.218 51 G C 1.668 176.345 174.900 -0.372 0.000 1.140 51 G CA 1.011 45.977 45.100 -0.224 0.000 0.775 51 G HN 0.432 nan 8.290 nan 0.000 0.545 52 S N -0.294 115.094 115.700 -0.520 0.000 2.496 52 S HA 0.069 4.540 4.470 0.002 0.000 0.224 52 S C 0.660 175.079 174.600 -0.302 0.000 0.996 52 S CA 0.220 58.111 58.200 -0.515 0.000 0.927 52 S CB 0.121 62.882 63.200 -0.733 0.000 0.774 52 S HN 0.412 nan 8.310 nan 0.000 0.524 53 N N 0.695 119.237 118.700 -0.264 0.000 2.969 53 N HA 0.219 4.960 4.740 0.002 0.000 0.230 53 N C -1.549 173.852 175.510 -0.181 0.000 1.397 53 N CA -0.111 52.836 53.050 -0.171 0.000 0.762 53 N CB 0.103 38.529 38.487 -0.102 0.000 1.495 53 N HN 0.024 nan 8.380 nan 0.000 0.583 54 I N 2.492 122.912 120.570 -0.250 0.000 2.483 54 I HA 0.150 4.321 4.170 0.002 0.000 0.291 54 I C 0.498 176.594 176.117 -0.034 0.000 1.112 54 I CA 0.309 61.432 61.300 -0.296 0.000 1.350 54 I CB 0.167 37.969 38.000 -0.330 0.000 1.419 54 I HN 0.483 nan 8.210 nan 0.000 0.523 55 T N -0.035 114.582 114.554 0.106 0.000 2.896 55 T HA 0.290 4.641 4.350 0.002 0.000 0.297 55 T C 0.437 175.245 174.700 0.180 0.000 1.108 55 T CA -0.864 61.307 62.100 0.119 0.000 1.004 55 T CB 2.067 70.982 68.868 0.079 0.000 1.159 55 T HN 0.319 nan 8.240 nan 0.000 0.499 56 D N 0.307 120.777 120.400 0.116 0.000 2.149 56 D HA -0.095 4.546 4.640 0.002 0.000 0.198 56 D C 1.690 178.035 176.300 0.074 0.000 0.990 56 D CA 1.327 55.382 54.000 0.092 0.000 0.839 56 D CB 0.038 40.874 40.800 0.060 0.000 0.948 56 D HN 0.831 nan 8.370 nan 0.000 0.460 57 E N 0.257 120.501 120.200 0.074 0.000 2.047 57 E HA -0.166 4.185 4.350 0.002 0.000 0.191 57 E C 1.592 178.237 176.600 0.075 0.000 0.987 57 E CA 0.815 57.252 56.400 0.061 0.000 0.799 57 E CB 0.150 29.883 29.700 0.054 0.000 0.752 57 E HN 0.097 nan 8.360 nan 0.000 0.449 58 N N 0.855 119.631 118.700 0.125 0.000 2.244 58 N HA -0.172 4.569 4.740 0.002 0.000 0.183 58 N C 1.637 177.214 175.510 0.112 0.000 1.016 58 N CA 0.924 54.077 53.050 0.172 0.000 0.866 58 N CB -0.264 38.379 38.487 0.260 0.000 0.980 58 N HN 0.358 nan 8.380 nan 0.000 0.430 59 E N 1.239 121.469 120.200 0.050 0.000 2.051 59 E HA -0.191 4.160 4.350 0.002 0.000 0.192 59 E C 1.835 178.329 176.600 -0.176 0.000 0.991 59 E CA 1.096 57.305 56.400 -0.318 0.000 0.799 59 E CB 0.061 29.649 29.700 -0.187 0.000 0.748 59 E HN 0.206 nan 8.360 nan 0.000 0.449 60 K N 0.569 120.934 120.400 -0.057 0.000 2.063 60 K HA -0.193 4.129 4.320 0.002 0.000 0.208 60 K C 2.139 178.729 176.600 -0.016 0.000 1.048 60 K CA 1.696 57.965 56.287 -0.030 0.000 0.928 60 K CB 0.073 32.573 32.500 0.000 0.000 0.713 60 K HN -0.009 nan 8.250 nan 0.000 0.442 61 K N 0.544 120.947 120.400 0.005 0.000 2.025 61 K HA -0.167 4.154 4.320 0.002 0.000 0.207 61 K C 2.213 178.828 176.600 0.026 0.000 1.049 61 K CA 1.379 57.682 56.287 0.027 0.000 0.933 61 K CB -0.107 32.424 32.500 0.051 0.000 0.714 61 K HN 0.112 nan 8.250 nan 0.000 0.438 62 K N 1.074 121.475 120.400 0.002 0.000 2.009 62 K HA -0.180 4.141 4.320 0.002 0.000 0.210 62 K C 1.685 178.284 176.600 -0.002 0.000 1.049 62 K CA 1.697 57.987 56.287 0.005 0.000 0.929 62 K CB -0.012 32.440 32.500 -0.080 0.000 0.714 62 K HN 0.054 nan 8.250 nan 0.000 0.440 63 N N 0.995 119.664 118.700 -0.052 0.000 2.270 63 N HA -0.106 4.635 4.740 0.002 0.000 0.181 63 N C 1.454 176.980 175.510 0.027 0.000 1.016 63 N CA 1.031 54.061 53.050 -0.034 0.000 0.870 63 N CB -0.011 38.426 38.487 -0.084 0.000 0.979 63 N HN 0.368 nan 8.380 nan 0.000 0.431 64 E N 0.207 120.423 120.200 0.026 0.000 2.107 64 E HA -0.033 4.319 4.350 0.002 0.000 0.191 64 E C 1.595 178.233 176.600 0.064 0.000 0.982 64 E CA 0.472 56.900 56.400 0.046 0.000 0.809 64 E CB 0.114 29.833 29.700 0.032 0.000 0.756 64 E HN 0.227 nan 8.360 nan 0.000 0.459 65 I N 0.959 121.566 120.570 0.061 0.000 2.252 65 I HA -0.185 3.987 4.170 0.002 0.000 0.245 65 I C 2.280 178.452 176.117 0.090 0.000 1.102 65 I CA 1.086 62.425 61.300 0.064 0.000 1.385 65 I CB -1.239 36.800 38.000 0.065 0.000 1.064 65 I HN -0.038 nan 8.210 nan 0.000 0.414 66 S N 1.194 116.969 115.700 0.126 0.000 2.368 66 S HA -0.121 4.350 4.470 0.002 0.000 0.225 66 S C 2.267 177.043 174.600 0.293 0.000 1.030 66 S CA 1.375 59.698 58.200 0.204 0.000 0.999 66 S CB -0.299 63.033 63.200 0.220 0.000 0.844 66 S HN 0.557 nan 8.310 nan 0.000 0.459 67 A N 1.233 124.230 122.820 0.294 0.000 1.933 67 A HA -0.170 4.151 4.320 0.002 0.000 0.218 67 A C 2.024 179.669 177.584 0.101 0.000 1.175 67 A CA 1.781 53.983 52.037 0.275 0.000 0.628 67 A CB -0.592 18.541 19.000 0.221 0.000 0.814 67 A HN 0.604 nan 8.150 nan 0.000 0.444 68 E N -0.698 119.552 120.200 0.083 0.000 2.051 68 E HA -0.193 4.159 4.350 0.002 0.000 0.192 68 E C 1.900 178.529 176.600 0.048 0.000 0.991 68 E CA 1.311 57.741 56.400 0.050 0.000 0.799 68 E CB -0.192 29.528 29.700 0.033 0.000 0.748 68 E HN 0.441 nan 8.360 nan 0.000 0.449 69 L N 0.789 122.039 121.223 0.044 0.000 2.046 69 L HA -0.058 4.283 4.340 0.002 0.000 0.208 69 L C 2.224 179.120 176.870 0.044 0.000 1.077 69 L CA 2.111 56.980 54.840 0.048 0.000 0.747 69 L CB -0.764 41.313 42.059 0.031 0.000 0.896 69 L HN 0.179 nan 8.230 nan 0.000 0.432 70 A N -0.532 122.249 122.820 -0.064 0.000 1.908 70 A HA -0.300 4.021 4.320 0.002 0.000 0.218 70 A C 2.466 179.958 177.584 -0.154 0.000 1.181 70 A CA 2.127 54.014 52.037 -0.250 0.000 0.627 70 A CB -0.664 17.855 19.000 -0.801 0.000 0.818 70 A HN 0.502 nan 8.150 nan 0.000 0.445 71 K N -1.664 118.690 120.400 -0.077 0.000 2.063 71 K HA -0.176 4.145 4.320 0.002 0.000 0.208 71 K C 1.782 178.395 176.600 0.022 0.000 1.048 71 K CA 1.745 58.018 56.287 -0.024 0.000 0.928 71 K CB -0.332 32.178 32.500 0.017 0.000 0.713 71 K HN 0.431 nan 8.250 nan 0.000 0.442 72 F N 1.066 120.974 119.950 -0.070 0.000 2.134 72 F HA -0.216 4.313 4.527 0.002 0.000 0.299 72 F C 1.937 177.700 175.800 -0.062 0.000 1.097 72 F CA 1.280 59.244 58.000 -0.061 0.000 1.264 72 F CB -0.057 38.901 39.000 -0.071 0.000 1.001 72 F HN 0.023 nan 8.300 nan 0.000 0.479 73 M N 0.392 119.955 119.600 -0.062 0.000 2.159 73 M HA -0.200 4.281 4.480 0.002 0.000 0.263 73 M C 2.091 178.289 176.300 -0.169 0.000 1.063 73 M CA 1.479 56.696 55.300 -0.138 0.000 1.110 73 M CB -1.316 31.251 32.600 -0.055 0.000 1.374 73 M HN 0.143 nan 8.290 nan 0.000 0.411 74 K N 0.229 120.548 120.400 -0.136 0.000 2.032 74 K HA -0.196 4.125 4.320 0.002 0.000 0.209 74 K C 1.951 178.478 176.600 -0.123 0.000 1.048 74 K CA 1.602 57.825 56.287 -0.107 0.000 0.927 74 K CB -0.135 32.314 32.500 -0.084 0.000 0.712 74 K HN 0.450 nan 8.250 nan 0.000 0.441 75 E N 0.152 120.243 120.200 -0.181 0.000 2.077 75 E HA -0.160 4.191 4.350 0.002 0.000 0.193 75 E C 2.021 178.497 176.600 -0.207 0.000 0.989 75 E CA 1.104 57.390 56.400 -0.189 0.000 0.800 75 E CB 0.027 29.590 29.700 -0.228 0.000 0.746 75 E HN 0.027 nan 8.360 nan 0.000 0.452 76 V N 1.367 121.077 119.914 -0.341 0.000 2.261 76 V HA -0.308 3.813 4.120 0.002 0.000 0.246 76 V C 2.333 178.395 176.094 -0.054 0.000 1.047 76 V CA 1.972 64.135 62.300 -0.228 0.000 1.015 76 V CB -0.775 30.855 31.823 -0.323 0.000 0.642 76 V HN 0.355 nan 8.190 nan 0.000 0.446 77 A N -0.765 122.016 122.820 -0.066 0.000 1.940 77 A HA -0.254 4.067 4.320 0.002 0.000 0.219 77 A C 2.561 180.161 177.584 0.027 0.000 1.176 77 A CA 2.326 54.359 52.037 -0.006 0.000 0.631 77 A CB -0.780 18.208 19.000 -0.021 0.000 0.814 77 A HN 0.506 nan 8.150 nan 0.000 0.446 78 S N -0.283 115.415 115.700 -0.003 0.000 2.368 78 S HA -0.180 4.291 4.470 0.002 0.000 0.225 78 S C 1.602 176.223 174.600 0.035 0.000 1.030 78 S CA 1.697 59.900 58.200 0.006 0.000 0.999 78 S CB -0.500 62.688 63.200 -0.020 0.000 0.844 78 S HN 0.551 nan 8.310 nan 0.000 0.459 79 D N 0.778 121.209 120.400 0.052 0.000 2.219 79 D HA -0.050 4.591 4.640 0.002 0.000 0.205 79 D C 2.256 178.675 176.300 0.199 0.000 0.970 79 D CA 1.585 55.644 54.000 0.098 0.000 0.851 79 D CB -0.722 40.171 40.800 0.155 0.000 0.943 79 D HN 0.717 nan 8.370 nan 0.000 0.488 80 T N -1.710 112.997 114.554 0.255 0.000 2.833 80 T HA -0.177 4.175 4.350 0.002 0.000 0.269 80 T C 1.995 176.902 174.700 0.345 0.000 1.054 80 T CA 1.854 64.192 62.100 0.396 0.000 1.135 80 T CB -0.879 68.182 68.868 0.322 0.000 0.869 80 T HN 0.198 nan 8.240 nan 0.000 0.466 81 T N -0.285 114.383 114.554 0.191 0.000 3.007 81 T HA 0.066 4.418 4.350 0.002 0.000 0.270 81 T C 1.718 176.414 174.700 -0.008 0.000 1.107 81 T CA 0.721 62.874 62.100 0.088 0.000 1.118 81 T CB -0.479 68.409 68.868 0.034 0.000 0.889 81 T HN 0.468 nan 8.240 nan 0.000 0.506 82 K N -0.142 120.231 120.400 -0.046 0.000 2.432 82 K HA 0.229 4.550 4.320 0.002 0.000 0.196 82 K C -0.390 175.959 176.600 -0.417 0.000 1.038 82 K CA 0.285 56.423 56.287 -0.249 0.000 0.986 82 K CB 0.030 32.317 32.500 -0.354 0.000 0.782 82 K HN 0.392 nan 8.250 nan 0.000 0.485 83 F N 1.124 121.007 119.950 -0.112 0.000 2.443 83 F HA 0.195 4.723 4.527 0.002 0.000 0.335 83 F C 0.660 176.285 175.800 -0.291 0.000 1.104 83 F CA -1.020 56.877 58.000 -0.172 0.000 1.013 83 F CB 1.468 40.282 39.000 -0.310 0.000 1.136 83 F HN -0.229 nan 8.300 nan 0.000 0.470 84 Q N 4.804 124.511 119.800 -0.154 0.000 2.903 84 Q HA -0.045 4.296 4.340 0.002 0.000 0.295 84 Q C 1.308 176.789 176.000 -0.865 0.000 1.157 84 Q CA -0.090 55.483 55.803 -0.383 0.000 0.930 84 Q CB -0.359 28.261 28.738 -0.197 0.000 1.571 84 Q HN 0.905 nan 8.270 nan 0.000 0.440 85 W N 0.019 120.724 121.300 -0.992 0.000 2.374 85 W HA -0.133 4.529 4.660 0.002 0.000 0.288 85 W C 0.750 176.796 176.519 -0.788 0.000 1.218 85 W CA 0.269 56.777 57.345 -1.394 0.000 1.245 85 W CB -0.497 28.227 29.460 -1.227 0.000 1.126 85 W HN 0.245 nan 8.180 nan 0.000 0.545 86 R N 0.864 120.741 120.500 -1.037 0.000 2.241 86 R HA -0.061 4.280 4.340 0.002 0.000 0.224 86 R C 2.105 178.191 176.300 -0.357 0.000 1.101 86 R CA 1.474 57.146 56.100 -0.714 0.000 0.995 86 R CB -0.253 29.522 30.300 -0.875 0.000 0.870 86 R HN 0.074 nan 8.270 nan 0.000 0.463 87 S N -0.429 115.046 115.700 -0.374 0.000 2.575 87 S HA 0.087 4.558 4.470 0.002 0.000 0.215 87 S C -0.183 174.460 174.600 0.072 0.000 0.966 87 S CA -0.011 58.101 58.200 -0.147 0.000 0.911 87 S CB 0.076 63.199 63.200 -0.129 0.000 0.780 87 S HN 0.128 nan 8.310 nan 0.000 0.514 88 Y N 2.504 122.811 120.300 0.011 0.000 2.357 88 Y HA 0.245 4.796 4.550 0.002 0.000 0.340 88 Y C 1.738 177.671 175.900 0.055 0.000 1.260 88 Y CA -1.409 56.722 58.100 0.052 0.000 1.425 88 Y CB 0.312 38.833 38.460 0.102 0.000 1.326 88 Y HN 0.038 nan 8.280 nan 0.000 0.580 89 Q N 0.489 120.419 119.800 0.216 0.000 2.137 89 Q HA -0.057 4.284 4.340 0.002 0.000 0.198 89 Q C 0.685 176.762 176.000 0.128 0.000 0.960 89 Q CA 0.630 56.509 55.803 0.126 0.000 0.847 89 Q CB -0.183 28.599 28.738 0.074 0.000 0.915 89 Q HN 0.536 nan 8.270 nan 0.000 0.448 90 S N 1.560 117.349 115.700 0.148 0.000 2.430 90 S HA 0.023 4.494 4.470 0.002 0.000 0.282 90 S C 1.043 175.747 174.600 0.172 0.000 1.186 90 S CA -0.381 57.900 58.200 0.135 0.000 1.060 90 S CB 0.533 63.802 63.200 0.115 0.000 0.966 90 S HN 0.057 nan 8.310 nan 0.000 0.501 91 E N 3.763 124.042 120.200 0.131 0.000 2.118 91 E HA -0.173 4.178 4.350 0.002 0.000 0.195 91 E C 1.342 178.031 176.600 0.148 0.000 0.992 91 E CA 1.329 57.806 56.400 0.130 0.000 0.804 91 E CB -0.222 29.527 29.700 0.083 0.000 0.741 91 E HN 0.863 nan 8.360 nan 0.000 0.458 92 D N 0.513 120.997 120.400 0.140 0.000 2.097 92 D HA -0.103 4.538 4.640 0.002 0.000 0.195 92 D C 2.146 178.562 176.300 0.194 0.000 0.989 92 D CA 0.819 54.922 54.000 0.172 0.000 0.827 92 D CB -0.126 40.762 40.800 0.147 0.000 0.966 92 D HN 0.086 nan 8.370 nan 0.000 0.456 93 L N 0.003 121.344 121.223 0.196 0.000 2.046 93 L HA -0.131 4.210 4.340 0.002 0.000 0.208 93 L C 2.562 179.654 176.870 0.371 0.000 1.077 93 L CA 1.135 56.128 54.840 0.255 0.000 0.747 93 L CB -0.437 41.810 42.059 0.313 0.000 0.896 93 L HN 0.055 nan 8.230 nan 0.000 0.432 94 K N -0.130 120.498 120.400 0.380 0.000 2.057 94 K HA -0.217 4.104 4.320 0.002 0.000 0.207 94 K C 2.247 178.970 176.600 0.205 0.000 1.049 94 K CA 1.244 57.775 56.287 0.408 0.000 0.931 94 K CB -0.191 32.549 32.500 0.400 0.000 0.714 94 K HN 0.198 nan 8.250 nan 0.000 0.440 95 R N 1.480 122.084 120.500 0.173 0.000 2.081 95 R HA -0.156 4.185 4.340 0.002 0.000 0.235 95 R C 2.181 178.500 176.300 0.033 0.000 1.131 95 R CA 1.510 57.684 56.100 0.123 0.000 0.960 95 R CB 0.045 30.454 30.300 0.181 0.000 0.856 95 R HN 0.266 nan 8.270 nan 0.000 0.436 96 Q N -0.706 119.078 119.800 -0.027 0.000 2.050 96 Q HA -0.171 4.171 4.340 0.002 0.000 0.202 96 Q C 1.978 177.755 176.000 -0.372 0.000 0.980 96 Q CA 1.695 57.328 55.803 -0.284 0.000 0.840 96 Q CB -0.143 28.352 28.738 -0.405 0.000 0.898 96 Q HN 0.299 nan 8.270 nan 0.000 0.424 97 F N 1.253 120.959 119.950 -0.406 0.000 2.126 97 F HA -0.199 4.329 4.527 0.002 0.000 0.299 97 F C 2.407 177.628 175.800 -0.967 0.000 1.096 97 F CA 1.360 58.917 58.000 -0.739 0.000 1.255 97 F CB -0.120 38.250 39.000 -1.050 0.000 0.997 97 F HN -0.026 nan 8.300 nan 0.000 0.479 98 K N 0.131 120.090 120.400 -0.735 0.000 2.057 98 K HA -0.167 4.154 4.320 0.002 0.000 0.207 98 K C 2.270 178.733 176.600 -0.228 0.000 1.049 98 K CA 1.115 57.100 56.287 -0.503 0.000 0.931 98 K CB -0.306 32.087 32.500 -0.177 0.000 0.714 98 K HN 0.210 nan 8.250 nan 0.000 0.440 99 A N 1.156 123.862 122.820 -0.190 0.000 1.940 99 A HA -0.151 4.170 4.320 0.002 0.000 0.219 99 A C 2.021 179.520 177.584 -0.142 0.000 1.176 99 A CA 1.356 53.310 52.037 -0.138 0.000 0.631 99 A CB -0.591 18.320 19.000 -0.149 0.000 0.814 99 A HN 0.316 nan 8.150 nan 0.000 0.446 100 L N 0.002 121.108 121.223 -0.196 0.000 2.275 100 L HA -0.111 4.230 4.340 0.002 0.000 0.215 100 L C 2.756 179.571 176.870 -0.091 0.000 1.119 100 L CA 1.505 56.255 54.840 -0.151 0.000 0.790 100 L CB -0.686 41.255 42.059 -0.196 0.000 0.919 100 L HN 0.652 nan 8.230 nan 0.000 0.443 101 T N -3.434 111.064 114.554 -0.093 0.000 3.023 101 T HA -0.080 4.271 4.350 0.002 0.000 0.266 101 T C 0.954 175.656 174.700 0.003 0.000 1.093 101 T CA 0.249 62.339 62.100 -0.016 0.000 1.129 101 T CB -0.207 68.685 68.868 0.039 0.000 0.899 101 T HN 0.134 nan 8.240 nan 0.000 0.491 102 K N 1.419 121.817 120.400 -0.003 0.000 2.219 102 K HA 0.385 4.706 4.320 0.002 0.000 0.280 102 K C 0.555 177.167 176.600 0.020 0.000 1.104 102 K CA -0.261 56.048 56.287 0.037 0.000 0.925 102 K CB 0.622 33.154 32.500 0.054 0.000 1.261 102 K HN 0.241 nan 8.250 nan 0.000 0.445 103 L N 1.804 123.045 121.223 0.028 0.000 2.179 103 L HA -0.043 4.298 4.340 0.002 0.000 0.208 103 L C 1.443 178.327 176.870 0.023 0.000 1.096 103 L CA 0.925 55.772 54.840 0.011 0.000 0.779 103 L CB -0.496 41.567 42.059 0.006 0.000 0.922 103 L HN 1.040 nan 8.230 nan 0.000 0.443 104 G N -0.390 108.438 108.800 0.046 0.000 2.583 104 G HA2 -0.406 3.555 3.960 0.002 0.000 0.292 104 G HA3 -0.406 3.555 3.960 0.002 0.000 0.292 104 G C 0.422 175.407 174.900 0.141 0.000 1.203 104 G CA 0.623 45.732 45.100 0.015 0.000 0.987 104 G HN 0.074 nan 8.290 nan 0.000 0.554 105 Y N 0.965 121.332 120.300 0.110 0.000 2.315 105 Y HA 0.128 4.679 4.550 0.002 0.000 0.288 105 Y C 3.303 179.303 175.900 0.165 0.000 1.154 105 Y CA 1.541 59.756 58.100 0.191 0.000 1.229 105 Y CB -1.311 37.342 38.460 0.323 0.000 0.980 105 Y HN 0.726 nan 8.280 nan 0.000 0.540 106 A N -0.085 122.814 122.820 0.130 0.000 2.178 106 A HA 0.022 4.344 4.320 0.002 0.000 0.218 106 A C 2.407 179.935 177.584 -0.092 0.000 1.157 106 A CA 1.207 53.130 52.037 -0.190 0.000 0.689 106 A CB -0.863 18.030 19.000 -0.179 0.000 0.787 106 A HN 0.345 nan 8.150 nan 0.000 0.465 107 A N -0.563 122.269 122.820 0.020 0.000 2.119 107 A HA 0.290 4.612 4.320 0.002 0.000 0.217 107 A C 1.013 178.614 177.584 0.028 0.000 1.153 107 A CA 0.068 52.117 52.037 0.020 0.000 0.692 107 A CB -0.349 18.678 19.000 0.044 0.000 0.799 107 A HN 0.462 nan 8.150 nan 0.000 0.458 108 L N 0.696 121.960 121.223 0.070 0.000 2.461 108 L HA 0.170 4.511 4.340 0.002 0.000 0.272 108 L C -2.119 174.784 176.870 0.055 0.000 1.197 108 L CA -1.845 53.043 54.840 0.081 0.000 0.836 108 L CB 0.237 42.388 42.059 0.153 0.000 1.105 108 L HN 0.057 nan 8.230 nan 0.000 0.477 109 P HA -0.067 nan 4.420 nan 0.000 0.267 109 P C 0.468 177.807 177.300 0.065 0.000 1.201 109 P CA -0.001 63.120 63.100 0.035 0.000 0.775 109 P CB 0.502 32.216 31.700 0.024 0.000 0.854 110 E N 1.696 121.926 120.200 0.050 0.000 2.068 110 E HA -0.351 4.001 4.350 0.002 0.000 0.207 110 E C 0.889 177.550 176.600 0.101 0.000 1.032 110 E CA 2.003 58.447 56.400 0.075 0.000 0.839 110 E CB -0.178 29.550 29.700 0.046 0.000 0.758 110 E HN 0.405 nan 8.360 nan 0.000 0.457 111 D N 0.344 120.781 120.400 0.061 0.000 2.144 111 D HA -0.139 4.502 4.640 0.002 0.000 0.199 111 D C 1.637 177.961 176.300 0.040 0.000 0.984 111 D CA 1.063 55.089 54.000 0.044 0.000 0.834 111 D CB -0.395 40.419 40.800 0.024 0.000 0.955 111 D HN 0.258 nan 8.370 nan 0.000 0.465 112 D N -0.464 119.964 120.400 0.047 0.000 2.144 112 D HA -0.153 4.488 4.640 0.002 0.000 0.200 112 D C 1.911 178.233 176.300 0.037 0.000 0.978 112 D CA 0.558 54.574 54.000 0.027 0.000 0.833 112 D CB -0.378 40.436 40.800 0.024 0.000 0.961 112 D HN 0.266 nan 8.370 nan 0.000 0.470 113 Y N 1.594 121.879 120.300 -0.026 0.000 2.181 113 Y HA -0.151 4.401 4.550 0.002 0.000 0.288 113 Y C 2.250 178.138 175.900 -0.020 0.000 1.146 113 Y CA 1.569 59.657 58.100 -0.020 0.000 1.164 113 Y CB -0.339 38.130 38.460 0.014 0.000 0.982 113 Y HN -0.056 nan 8.280 nan 0.000 0.515 114 A N -0.011 122.823 122.820 0.023 0.000 1.902 114 A HA -0.235 4.087 4.320 0.002 0.000 0.217 114 A C 2.242 179.763 177.584 -0.104 0.000 1.181 114 A CA 1.851 53.860 52.037 -0.047 0.000 0.623 114 A CB -0.887 18.128 19.000 0.026 0.000 0.818 114 A HN 0.621 nan 8.150 nan 0.000 0.443 115 E N -0.679 119.476 120.200 -0.076 0.000 2.110 115 E HA -0.198 4.153 4.350 0.002 0.000 0.193 115 E C 1.903 178.432 176.600 -0.119 0.000 0.988 115 E CA 1.285 57.639 56.400 -0.077 0.000 0.804 115 E CB -0.167 29.503 29.700 -0.050 0.000 0.745 115 E HN 0.442 nan 8.360 nan 0.000 0.458 116 L N 1.013 122.127 121.223 -0.182 0.000 2.017 116 L HA -0.162 4.180 4.340 0.002 0.000 0.208 116 L C 2.161 178.883 176.870 -0.247 0.000 1.073 116 L CA 1.543 56.242 54.840 -0.236 0.000 0.745 116 L CB -0.536 41.308 42.059 -0.358 0.000 0.894 116 L HN 0.216 nan 8.230 nan 0.000 0.432 117 L N -0.639 120.382 121.223 -0.336 0.000 2.042 117 L HA -0.239 4.102 4.340 0.002 0.000 0.210 117 L C 2.248 179.022 176.870 -0.161 0.000 1.076 117 L CA 1.419 56.096 54.840 -0.271 0.000 0.749 117 L CB -0.841 41.027 42.059 -0.318 0.000 0.893 117 L HN 0.300 nan 8.230 nan 0.000 0.432 118 D N -0.716 119.605 120.400 -0.131 0.000 2.144 118 D HA -0.133 4.508 4.640 0.002 0.000 0.200 118 D C 2.196 178.461 176.300 -0.059 0.000 0.978 118 D CA 1.577 55.528 54.000 -0.083 0.000 0.833 118 D CB -0.180 40.584 40.800 -0.060 0.000 0.961 118 D HN 0.266 nan 8.370 nan 0.000 0.470 119 T N 1.070 115.587 114.554 -0.062 0.000 2.777 119 T HA -0.055 4.296 4.350 0.002 0.000 0.266 119 T C 2.256 176.930 174.700 -0.042 0.000 1.040 119 T CA 0.553 62.633 62.100 -0.033 0.000 1.141 119 T CB -0.259 68.598 68.868 -0.018 0.000 0.868 119 T HN 0.115 nan 8.240 nan 0.000 0.444 120 L N 1.550 122.727 121.223 -0.076 0.000 2.046 120 L HA -0.113 4.228 4.340 0.002 0.000 0.208 120 L C 2.932 179.776 176.870 -0.044 0.000 1.077 120 L CA 1.506 56.292 54.840 -0.090 0.000 0.747 120 L CB -0.735 41.275 42.059 -0.083 0.000 0.896 120 L HN 0.379 nan 8.230 nan 0.000 0.432 121 S N -0.193 115.484 115.700 -0.038 0.000 2.406 121 S HA -0.061 4.410 4.470 0.002 0.000 0.228 121 S C 2.157 176.798 174.600 0.068 0.000 1.020 121 S CA 0.627 58.833 58.200 0.010 0.000 0.965 121 S CB -0.366 62.766 63.200 -0.112 0.000 0.798 121 S HN 0.343 nan 8.310 nan 0.000 0.488 122 A N 2.266 125.106 122.820 0.033 0.000 1.902 122 A HA 0.046 4.367 4.320 0.002 0.000 0.217 122 A C 2.341 179.966 177.584 0.069 0.000 1.181 122 A CA 1.673 53.742 52.037 0.053 0.000 0.623 122 A CB -0.732 18.288 19.000 0.034 0.000 0.818 122 A HN 0.554 nan 8.150 nan 0.000 0.443 123 M N -1.493 118.135 119.600 0.047 0.000 2.123 123 M HA -0.118 4.364 4.480 0.002 0.000 0.263 123 M C 2.271 178.616 176.300 0.075 0.000 1.069 123 M CA 1.820 57.152 55.300 0.054 0.000 1.133 123 M CB -0.361 32.245 32.600 0.010 0.000 1.356 123 M HN 0.603 nan 8.290 nan 0.000 0.415 124 E N 0.362 120.597 120.200 0.058 0.000 2.072 124 E HA -0.171 4.180 4.350 0.002 0.000 0.191 124 E C 1.986 178.714 176.600 0.213 0.000 0.985 124 E CA 1.720 58.178 56.400 0.098 0.000 0.801 124 E CB 0.144 29.899 29.700 0.092 0.000 0.750 124 E HN 0.508 nan 8.360 nan 0.000 0.452 125 S N 0.687 116.513 115.700 0.209 0.000 2.383 125 S HA -0.179 4.293 4.470 0.002 0.000 0.227 125 S C 1.885 176.576 174.600 0.152 0.000 1.026 125 S CA 1.114 59.429 58.200 0.191 0.000 0.981 125 S CB -0.537 62.796 63.200 0.222 0.000 0.818 125 S HN 0.304 nan 8.310 nan 0.000 0.472 126 N N 0.993 119.776 118.700 0.138 0.000 2.043 126 N HA -0.192 4.549 4.740 0.002 0.000 0.193 126 N C 1.633 177.211 175.510 0.112 0.000 1.037 126 N CA 1.725 54.835 53.050 0.101 0.000 0.851 126 N CB -0.470 38.067 38.487 0.082 0.000 1.027 126 N HN 0.500 nan 8.380 nan 0.000 0.422 127 F N 1.594 121.566 119.950 0.036 0.000 2.095 127 F HA -0.107 4.421 4.527 0.002 0.000 0.298 127 F C 2.442 178.322 175.800 0.133 0.000 1.104 127 F CA 1.824 59.865 58.000 0.068 0.000 1.232 127 F CB -0.445 38.614 39.000 0.097 0.000 0.987 127 F HN 0.131 nan 8.300 nan 0.000 0.475 128 A N -0.453 122.575 122.820 0.346 0.000 2.067 128 A HA -0.127 4.194 4.320 0.002 0.000 0.219 128 A C 2.004 179.641 177.584 0.089 0.000 1.158 128 A CA 1.371 53.551 52.037 0.239 0.000 0.661 128 A CB -0.511 18.613 19.000 0.207 0.000 0.801 128 A HN 0.462 nan 8.150 nan 0.000 0.452 129 K N -0.320 120.117 120.400 0.060 0.000 2.374 129 K HA 0.233 4.554 4.320 0.002 0.000 0.196 129 K C -0.349 176.254 176.600 0.005 0.000 1.023 129 K CA -0.255 56.051 56.287 0.030 0.000 1.103 129 K CB 0.488 33.010 32.500 0.037 0.000 0.848 129 K HN 0.230 nan 8.250 nan 0.000 0.528 130 V N 3.170 123.065 119.914 -0.032 0.000 2.557 130 V HA -0.053 4.068 4.120 0.002 0.000 0.301 130 V C 0.221 176.324 176.094 0.015 0.000 1.026 130 V CA 0.616 62.888 62.300 -0.047 0.000 1.137 130 V CB 0.290 32.027 31.823 -0.144 0.000 0.917 130 V HN 0.135 nan 8.190 nan 0.000 0.484 131 K N 4.061 124.478 120.400 0.027 0.000 2.468 131 K HA 0.684 5.005 4.320 0.002 0.000 0.252 131 K C -0.830 175.814 176.600 0.074 0.000 0.932 131 K CA -0.520 55.801 56.287 0.057 0.000 0.794 131 K CB 2.441 34.970 32.500 0.047 0.000 1.241 131 K HN 0.534 nan 8.250 nan 0.000 0.428 132 V N -1.787 118.197 119.914 0.117 0.000 3.046 132 V HA 0.615 4.737 4.120 0.002 0.000 0.316 132 V C -0.068 176.139 176.094 0.188 0.000 1.104 132 V CA -0.887 61.498 62.300 0.143 0.000 1.006 132 V CB 1.782 33.712 31.823 0.178 0.000 1.058 132 V HN 0.805 nan 8.190 nan 0.000 0.440 133 c N 2.216 120.941 118.600 0.208 0.000 2.463 133 c HA 0.378 4.949 4.570 0.002 0.000 0.380 133 c C 0.445 174.731 174.090 0.327 0.000 1.264 133 c CA -0.177 56.286 56.329 0.224 0.000 2.161 133 c CB 0.019 42.638 42.510 0.181 0.000 2.515 133 c HN 1.021 nan 8.230 nan 0.000 0.565 134 D N 0.499 121.050 120.400 0.251 0.000 2.493 134 D HA -0.098 4.544 4.640 0.002 0.000 0.240 134 D C 0.609 176.979 176.300 0.116 0.000 1.142 134 D CA 0.303 54.467 54.000 0.273 0.000 0.872 134 D CB 0.345 41.246 40.800 0.169 0.000 1.173 134 D HN 0.691 nan 8.370 nan 0.000 0.467 135 Y N 4.591 124.823 120.300 -0.113 0.000 2.207 135 Y HA -0.190 4.361 4.550 0.002 0.000 0.287 135 Y C 1.691 177.379 175.900 -0.353 0.000 1.156 135 Y CA 1.746 59.467 58.100 -0.631 0.000 1.182 135 Y CB 0.245 38.401 38.460 -0.506 0.000 0.979 135 Y HN 0.412 nan 8.280 nan 0.000 0.521 136 K N -1.042 119.249 120.400 -0.182 0.000 2.354 136 K HA 0.053 4.374 4.320 0.002 0.000 0.194 136 K C -0.339 176.180 176.600 -0.136 0.000 1.038 136 K CA 0.504 56.657 56.287 -0.222 0.000 1.052 136 K CB 0.568 33.018 32.500 -0.084 0.000 0.861 136 K HN 0.013 nan 8.250 nan 0.000 0.535 137 D N 0.241 120.597 120.400 -0.073 0.000 2.336 137 D HA 0.033 4.674 4.640 0.002 0.000 0.248 137 D C 0.404 176.698 176.300 -0.011 0.000 1.326 137 D CA -0.169 53.811 54.000 -0.033 0.000 0.973 137 D CB 1.171 41.974 40.800 0.005 0.000 1.255 137 D HN -0.004 nan 8.370 nan 0.000 0.558 138 S N 0.916 116.598 115.700 -0.031 0.000 2.547 138 S HA -0.135 4.337 4.470 0.002 0.000 0.235 138 S C 1.577 176.190 174.600 0.022 0.000 0.980 138 S CA 1.283 59.482 58.200 -0.001 0.000 0.941 138 S CB -0.337 62.852 63.200 -0.018 0.000 0.763 138 S HN 0.465 nan 8.310 nan 0.000 0.532 139 T N -1.704 112.859 114.554 0.016 0.000 3.057 139 T HA 0.223 4.574 4.350 0.002 0.000 0.254 139 T C 0.594 175.315 174.700 0.034 0.000 1.094 139 T CA -0.065 62.048 62.100 0.022 0.000 1.088 139 T CB -0.277 68.599 68.868 0.013 0.000 0.934 139 T HN 0.309 nan 8.240 nan 0.000 0.497 140 K N 1.080 121.506 120.400 0.044 0.000 2.250 140 K HA 0.411 4.732 4.320 0.002 0.000 0.280 140 K C -1.021 175.628 176.600 0.081 0.000 1.098 140 K CA -0.566 55.755 56.287 0.057 0.000 0.916 140 K CB 0.068 32.604 32.500 0.059 0.000 1.209 140 K HN 0.264 nan 8.250 nan 0.000 0.461 141 c N 3.646 122.290 118.600 0.073 0.000 2.624 141 c HA 0.161 4.732 4.570 0.002 0.000 0.263 141 c C 0.226 174.362 174.090 0.077 0.000 1.587 141 c CA -0.754 55.627 56.329 0.086 0.000 1.718 141 c CB -0.830 41.724 42.510 0.073 0.000 3.050 141 c HN 0.797 nan 8.230 nan 0.000 0.517 142 D N -0.638 119.807 120.400 0.075 0.000 2.538 142 D HA 0.146 4.787 4.640 0.002 0.000 0.231 142 D C -0.127 176.212 176.300 0.064 0.000 1.229 142 D CA -0.236 53.800 54.000 0.060 0.000 0.828 142 D CB -0.015 40.812 40.800 0.045 0.000 1.035 142 D HN 0.200 nan 8.370 nan 0.000 0.495 143 L N 1.562 122.840 121.223 0.090 0.000 2.315 143 L HA 0.503 4.844 4.340 0.002 0.000 0.283 143 L C 0.668 177.579 176.870 0.070 0.000 1.089 143 L CA -0.193 54.698 54.840 0.086 0.000 0.833 143 L CB 1.067 43.211 42.059 0.142 0.000 1.170 143 L HN 0.124 nan 8.230 nan 0.000 0.442 144 A N 2.686 125.528 122.820 0.036 0.000 2.282 144 A HA 0.472 4.793 4.320 0.002 0.000 0.319 144 A C 0.945 178.522 177.584 -0.012 0.000 1.121 144 A CA -0.562 51.491 52.037 0.027 0.000 0.836 144 A CB 0.581 19.595 19.000 0.024 0.000 1.146 144 A HN 0.711 nan 8.150 nan 0.000 0.494 145 L N 0.123 121.329 121.223 -0.028 0.000 1.990 145 L HA -0.084 4.257 4.340 0.002 0.000 0.213 145 L C 0.475 177.297 176.870 -0.081 0.000 1.072 145 L CA 2.342 57.096 54.840 -0.144 0.000 0.755 145 L CB -0.223 41.715 42.059 -0.201 0.000 0.889 145 L HN 0.730 nan 8.230 nan 0.000 0.432 146 D N -1.071 119.325 120.400 -0.006 0.000 2.392 146 D HA 0.277 4.918 4.640 0.002 0.000 0.228 146 D C -1.996 174.309 176.300 0.008 0.000 1.074 146 D CA -2.224 51.784 54.000 0.013 0.000 0.838 146 D CB 1.537 42.369 40.800 0.053 0.000 1.067 146 D HN 0.151 nan 8.370 nan 0.000 0.511 147 P HA 0.163 nan 4.420 nan 0.000 0.268 147 P C 0.687 177.955 177.300 -0.052 0.000 1.248 147 P CA 0.138 63.226 63.100 -0.019 0.000 0.851 147 P CB 1.120 32.815 31.700 -0.007 0.000 1.238 148 E N 0.741 120.909 120.200 -0.053 0.000 2.031 148 E HA -0.110 4.241 4.350 0.002 0.000 0.193 148 E C 2.028 178.524 176.600 -0.173 0.000 0.994 148 E CA 1.372 57.724 56.400 -0.080 0.000 0.800 148 E CB -0.900 28.778 29.700 -0.036 0.000 0.752 148 E HN 0.251 nan 8.360 nan 0.000 0.447 149 I N 0.743 121.196 120.570 -0.196 0.000 2.286 149 I HA -0.201 3.970 4.170 0.002 0.000 0.245 149 I C 2.163 178.095 176.117 -0.308 0.000 1.104 149 I CA 1.056 62.162 61.300 -0.324 0.000 1.397 149 I CB -0.325 37.518 38.000 -0.260 0.000 1.072 149 I HN 0.088 nan 8.210 nan 0.000 0.417 150 E N 0.721 120.782 120.200 -0.231 0.000 2.160 150 E HA -0.282 4.069 4.350 0.002 0.000 0.195 150 E C 2.042 178.564 176.600 -0.130 0.000 0.991 150 E CA 1.189 57.483 56.400 -0.176 0.000 0.810 150 E CB -0.082 29.561 29.700 -0.094 0.000 0.742 150 E HN 0.496 nan 8.360 nan 0.000 0.466 151 E N 0.495 120.620 120.200 -0.124 0.000 2.077 151 E HA -0.171 4.181 4.350 0.002 0.000 0.193 151 E C 2.118 178.650 176.600 -0.112 0.000 0.989 151 E CA 1.117 57.460 56.400 -0.094 0.000 0.800 151 E CB 0.215 29.868 29.700 -0.077 0.000 0.746 151 E HN 0.033 nan 8.360 nan 0.000 0.452 152 V N 1.636 121.434 119.914 -0.193 0.000 2.295 152 V HA -0.269 3.852 4.120 0.002 0.000 0.246 152 V C 2.415 178.440 176.094 -0.116 0.000 1.049 152 V CA 1.292 63.475 62.300 -0.196 0.000 1.024 152 V CB -0.438 31.117 31.823 -0.446 0.000 0.648 152 V HN 0.379 nan 8.190 nan 0.000 0.447 153 I N 1.444 121.933 120.570 -0.136 0.000 2.264 153 I HA -0.199 3.972 4.170 0.002 0.000 0.248 153 I C 2.689 178.781 176.117 -0.041 0.000 1.111 153 I CA 2.307 63.564 61.300 -0.071 0.000 1.382 153 I CB -1.472 36.461 38.000 -0.112 0.000 1.060 153 I HN 0.569 nan 8.210 nan 0.000 0.418 154 S N 0.082 115.755 115.700 -0.045 0.000 2.436 154 S HA -0.064 4.408 4.470 0.002 0.000 0.228 154 S C 1.877 176.472 174.600 -0.008 0.000 1.014 154 S CA 0.555 58.746 58.200 -0.014 0.000 0.950 154 S CB -0.018 63.176 63.200 -0.009 0.000 0.784 154 S HN 0.444 nan 8.310 nan 0.000 0.504 155 K N 0.759 121.150 120.400 -0.016 0.000 2.329 155 K HA 0.278 4.599 4.320 0.002 0.000 0.198 155 K C 0.786 177.392 176.600 0.011 0.000 1.085 155 K CA 0.232 56.517 56.287 -0.005 0.000 0.961 155 K CB 0.201 32.695 32.500 -0.010 0.000 0.971 155 K HN 0.270 nan 8.250 nan 0.000 0.502 156 S N 1.172 116.881 115.700 0.015 0.000 2.549 156 S HA 0.069 4.540 4.470 0.002 0.000 0.283 156 S C 0.540 175.187 174.600 0.078 0.000 1.320 156 S CA -0.287 57.941 58.200 0.046 0.000 1.058 156 S CB 0.437 63.668 63.200 0.051 0.000 0.882 156 S HN 0.126 nan 8.310 nan 0.000 0.498 157 R N 2.696 123.262 120.500 0.111 0.000 2.613 157 R HA 0.236 4.578 4.340 0.002 0.000 0.361 157 R C -0.600 175.869 176.300 0.283 0.000 1.072 157 R CA -0.300 55.925 56.100 0.208 0.000 1.089 157 R CB -0.461 29.930 30.300 0.150 0.000 1.343 157 R HN 0.582 nan 8.270 nan 0.000 0.571 158 D N 1.259 121.765 120.400 0.177 0.000 2.411 158 D HA -0.001 4.640 4.640 0.002 0.000 0.225 158 D C 1.170 177.509 176.300 0.066 0.000 1.156 158 D CA -0.274 53.794 54.000 0.114 0.000 0.874 158 D CB 0.592 41.419 40.800 0.045 0.000 1.034 158 D HN 0.369 nan 8.370 nan 0.000 0.502 159 H N 2.005 121.160 119.070 0.141 0.000 2.456 159 H HA -0.020 4.537 4.556 0.002 0.000 0.296 159 H C 1.113 176.490 175.328 0.081 0.000 1.079 159 H CA 1.225 57.279 56.048 0.011 0.000 1.322 159 H CB 0.189 29.876 29.762 -0.124 0.000 1.388 159 H HN 0.393 nan 8.280 nan 0.000 0.538 160 E N 0.483 120.455 120.200 -0.380 0.000 2.158 160 E HA -0.147 4.204 4.350 0.002 0.000 0.191 160 E C 2.059 178.512 176.600 -0.246 0.000 0.982 160 E CA 0.772 57.051 56.400 -0.201 0.000 0.823 160 E CB 0.052 29.639 29.700 -0.188 0.000 0.766 160 E HN 0.743 nan 8.360 nan 0.000 0.468 161 E N 1.289 121.250 120.200 -0.398 0.000 2.051 161 E HA -0.186 4.166 4.350 0.002 0.000 0.192 161 E C 2.203 178.699 176.600 -0.173 0.000 0.991 161 E CA 0.669 56.607 56.400 -0.769 0.000 0.799 161 E CB 0.003 29.431 29.700 -0.453 0.000 0.748 161 E HN 0.162 nan 8.360 nan 0.000 0.449 162 L N 0.548 121.794 121.223 0.038 0.000 2.042 162 L HA -0.207 4.135 4.340 0.002 0.000 0.210 162 L C 2.716 179.740 176.870 0.258 0.000 1.076 162 L CA 1.296 56.258 54.840 0.204 0.000 0.749 162 L CB -0.508 41.655 42.059 0.173 0.000 0.893 162 L HN 0.235 nan 8.230 nan 0.000 0.432 163 A N -0.881 122.045 122.820 0.177 0.000 1.933 163 A HA -0.276 4.045 4.320 0.002 0.000 0.218 163 A C 2.188 179.804 177.584 0.053 0.000 1.175 163 A CA 1.545 53.553 52.037 -0.049 0.000 0.628 163 A CB -0.847 18.033 19.000 -0.201 0.000 0.814 163 A HN 0.517 nan 8.150 nan 0.000 0.444 164 Y N -0.935 119.303 120.300 -0.103 0.000 2.145 164 Y HA -0.262 4.289 4.550 0.002 0.000 0.286 164 Y C 2.116 177.970 175.900 -0.076 0.000 1.145 164 Y CA 2.056 60.074 58.100 -0.136 0.000 1.148 164 Y CB -0.499 37.767 38.460 -0.322 0.000 0.981 164 Y HN 0.339 nan 8.280 nan 0.000 0.507 165 Y N -1.562 118.743 120.300 0.009 0.000 2.242 165 Y HA -0.205 4.346 4.550 0.002 0.000 0.291 165 Y C 2.331 178.258 175.900 0.045 0.000 1.137 165 Y CA 1.490 59.566 58.100 -0.040 0.000 1.181 165 Y CB -1.152 37.345 38.460 0.062 0.000 0.989 165 Y HN 0.377 nan 8.280 nan 0.000 0.527 166 W N 1.080 122.440 121.300 0.099 0.000 2.332 166 W HA -0.251 4.410 4.660 0.002 0.000 0.321 166 W C 2.803 179.406 176.519 0.140 0.000 1.219 166 W CA 2.454 59.872 57.345 0.122 0.000 1.277 166 W CB -0.311 29.127 29.460 -0.036 0.000 1.161 166 W HN -0.140 nan 8.180 nan 0.000 0.476 167 R N 0.280 121.043 120.500 0.439 0.000 2.073 167 R HA -0.194 4.147 4.340 0.002 0.000 0.234 167 R C 2.112 178.432 176.300 0.033 0.000 1.134 167 R CA 1.884 58.151 56.100 0.279 0.000 0.952 167 R CB -0.523 29.874 30.300 0.163 0.000 0.850 167 R HN 0.130 nan 8.270 nan 0.000 0.433 168 E N 0.015 120.144 120.200 -0.117 0.000 2.085 168 E HA -0.216 4.135 4.350 0.002 0.000 0.194 168 E C 1.697 178.271 176.600 -0.042 0.000 0.994 168 E CA 1.142 57.447 56.400 -0.157 0.000 0.801 168 E CB -0.443 29.042 29.700 -0.357 0.000 0.743 168 E HN 0.316 nan 8.360 nan 0.000 0.453 169 F N 0.428 120.303 119.950 -0.125 0.000 2.084 169 F HA -0.216 4.312 4.527 0.002 0.000 0.296 169 F C 2.165 177.833 175.800 -0.220 0.000 1.111 169 F CA 1.266 59.163 58.000 -0.171 0.000 1.224 169 F CB -0.514 38.359 39.000 -0.211 0.000 0.991 169 F HN -0.039 nan 8.300 nan 0.000 0.471 170 Y N 0.898 120.942 120.300 -0.427 0.000 2.224 170 Y HA -0.233 4.318 4.550 0.002 0.000 0.289 170 Y C 2.372 178.080 175.900 -0.320 0.000 1.146 170 Y CA 1.783 59.585 58.100 -0.496 0.000 1.182 170 Y CB -0.849 37.157 38.460 -0.757 0.000 0.983 170 Y HN 0.082 nan 8.280 nan 0.000 0.524 171 D N -0.217 120.142 120.400 -0.070 0.000 2.144 171 D HA -0.139 4.502 4.640 0.002 0.000 0.199 171 D C 1.838 178.076 176.300 -0.103 0.000 0.984 171 D CA 1.463 55.439 54.000 -0.040 0.000 0.834 171 D CB -0.119 40.674 40.800 -0.010 0.000 0.955 171 D HN 0.356 nan 8.370 nan 0.000 0.465 172 K N -0.103 120.176 120.400 -0.202 0.000 2.202 172 K HA 0.215 4.536 4.320 0.002 0.000 0.201 172 K C 1.913 178.334 176.600 -0.297 0.000 1.051 172 K CA 0.707 56.869 56.287 -0.208 0.000 0.977 172 K CB 0.305 32.693 32.500 -0.186 0.000 0.792 172 K HN -0.021 nan 8.250 nan 0.000 0.469 173 A N 0.749 123.229 122.820 -0.567 0.000 2.081 173 A HA 0.155 4.476 4.320 0.002 0.000 0.214 173 A C 1.921 179.332 177.584 -0.289 0.000 1.158 173 A CA 1.145 52.845 52.037 -0.561 0.000 0.724 173 A CB -0.182 18.081 19.000 -1.227 0.000 0.826 173 A HN 0.349 nan 8.150 nan 0.000 0.463 174 G N -1.161 107.467 108.800 -0.288 0.000 2.728 174 G HA2 0.118 4.079 3.960 0.002 0.000 0.223 174 G HA3 0.118 4.079 3.960 0.002 0.000 0.223 174 G C 1.398 176.308 174.900 0.016 0.000 1.379 174 G CA 1.120 46.123 45.100 -0.162 0.000 0.870 174 G HN 0.268 nan 8.290 nan 0.000 0.591 175 T N 2.310 116.894 114.554 0.051 0.000 2.737 175 T HA -0.090 4.262 4.350 0.002 0.000 0.269 175 T C 2.652 177.416 174.700 0.106 0.000 1.040 175 T CA 1.675 63.860 62.100 0.142 0.000 1.142 175 T CB -0.417 68.519 68.868 0.114 0.000 0.861 175 T HN 0.374 nan 8.240 nan 0.000 0.456 176 A N 1.210 124.057 122.820 0.044 0.000 2.076 176 A HA -0.012 4.309 4.320 0.002 0.000 0.220 176 A C 2.205 179.825 177.584 0.059 0.000 1.160 176 A CA 1.561 53.619 52.037 0.034 0.000 0.653 176 A CB -0.641 18.358 19.000 -0.001 0.000 0.801 176 A HN 0.583 nan 8.150 nan 0.000 0.455 177 V N -3.595 116.377 119.914 0.097 0.000 3.121 177 V HA 0.290 4.411 4.120 0.002 0.000 0.344 177 V C 1.521 177.719 176.094 0.173 0.000 1.390 177 V CA 0.381 62.758 62.300 0.129 0.000 1.177 177 V CB -0.586 31.323 31.823 0.143 0.000 1.163 177 V HN 0.514 nan 8.190 nan 0.000 0.484 178 R N 2.301 122.864 120.500 0.106 0.000 2.094 178 R HA -0.192 4.149 4.340 0.002 0.000 0.239 178 R C 2.454 178.727 176.300 -0.045 0.000 1.137 178 R CA 2.540 58.576 56.100 -0.106 0.000 0.943 178 R CB -0.404 29.762 30.300 -0.224 0.000 0.850 178 R HN 0.778 nan 8.270 nan 0.000 0.433 179 S N 0.094 115.790 115.700 -0.007 0.000 2.368 179 S HA -0.187 4.284 4.470 0.002 0.000 0.225 179 S C 1.915 176.552 174.600 0.062 0.000 1.030 179 S CA 1.192 59.393 58.200 0.002 0.000 0.999 179 S CB -0.276 62.921 63.200 -0.006 0.000 0.844 179 S HN 0.398 nan 8.310 nan 0.000 0.459 180 Q N 0.457 120.316 119.800 0.099 0.000 2.084 180 Q HA 0.102 4.444 4.340 0.002 0.000 0.202 180 Q C 1.824 177.948 176.000 0.207 0.000 0.978 180 Q CA 1.616 57.492 55.803 0.121 0.000 0.844 180 Q CB -0.663 28.140 28.738 0.109 0.000 0.898 180 Q HN 0.642 nan 8.270 nan 0.000 0.426 181 F N 1.465 121.506 119.950 0.152 0.000 2.134 181 F HA -0.206 4.322 4.527 0.002 0.000 0.299 181 F C 1.843 177.866 175.800 0.372 0.000 1.097 181 F CA 1.525 59.709 58.000 0.308 0.000 1.264 181 F CB 0.049 39.280 39.000 0.386 0.000 1.001 181 F HN 0.097 nan 8.300 nan 0.000 0.479 182 E N -0.486 119.934 120.200 0.368 0.000 2.058 182 E HA -0.295 4.056 4.350 0.002 0.000 0.194 182 E C 2.230 178.904 176.600 0.123 0.000 0.997 182 E CA 1.312 57.874 56.400 0.270 0.000 0.801 182 E CB -0.225 29.493 29.700 0.030 0.000 0.746 182 E HN 0.137 nan 8.360 nan 0.000 0.450 183 R N 0.448 120.993 120.500 0.075 0.000 2.092 183 R HA -0.164 4.177 4.340 0.002 0.000 0.231 183 R C 2.113 178.412 176.300 -0.003 0.000 1.119 183 R CA 1.264 57.377 56.100 0.022 0.000 0.970 183 R CB -0.755 29.554 30.300 0.016 0.000 0.864 183 R HN 0.311 nan 8.270 nan 0.000 0.440 184 Y N -0.172 120.055 120.300 -0.121 0.000 2.145 184 Y HA -0.164 4.387 4.550 0.002 0.000 0.286 184 Y C 1.762 177.538 175.900 -0.208 0.000 1.145 184 Y CA 1.840 59.817 58.100 -0.205 0.000 1.148 184 Y CB -0.598 37.705 38.460 -0.263 0.000 0.981 184 Y HN -0.115 nan 8.280 nan 0.000 0.507 185 V N 1.246 120.842 119.914 -0.531 0.000 2.287 185 V HA -0.317 3.805 4.120 0.002 0.000 0.248 185 V C 2.290 178.235 176.094 -0.248 0.000 1.053 185 V CA 2.374 64.415 62.300 -0.432 0.000 1.027 185 V CB -0.719 31.056 31.823 -0.079 0.000 0.646 185 V HN 0.472 nan 8.190 nan 0.000 0.447 186 E N -0.074 120.053 120.200 -0.121 0.000 2.058 186 E HA -0.219 4.132 4.350 0.002 0.000 0.194 186 E C 2.206 178.716 176.600 -0.149 0.000 0.997 186 E CA 1.462 57.808 56.400 -0.090 0.000 0.801 186 E CB -0.213 29.459 29.700 -0.046 0.000 0.746 186 E HN 0.504 nan 8.360 nan 0.000 0.450 187 L N 1.192 122.300 121.223 -0.192 0.000 2.131 187 L HA -0.127 4.214 4.340 0.002 0.000 0.206 187 L C 2.489 179.186 176.870 -0.290 0.000 1.087 187 L CA 0.510 55.226 54.840 -0.206 0.000 0.767 187 L CB -0.467 41.474 42.059 -0.197 0.000 0.917 187 L HN 0.213 nan 8.230 nan 0.000 0.441 188 N N 0.097 118.533 118.700 -0.441 0.000 2.104 188 N HA -0.188 4.553 4.740 0.002 0.000 0.190 188 N C 1.623 176.891 175.510 -0.402 0.000 1.024 188 N CA 2.215 54.964 53.050 -0.501 0.000 0.853 188 N CB 0.010 37.970 38.487 -0.877 0.000 1.008 188 N HN 0.233 nan 8.380 nan 0.000 0.424 189 T N 1.034 115.371 114.554 -0.361 0.000 2.708 189 T HA -0.114 4.238 4.350 0.002 0.000 0.266 189 T C 1.906 176.526 174.700 -0.133 0.000 1.037 189 T CA 1.194 63.153 62.100 -0.236 0.000 1.146 189 T CB -0.133 68.649 68.868 -0.142 0.000 0.865 189 T HN 0.362 nan 8.240 nan 0.000 0.435 190 K N 1.067 121.400 120.400 -0.112 0.000 2.063 190 K HA -0.060 4.261 4.320 0.002 0.000 0.208 190 K C 2.475 179.056 176.600 -0.032 0.000 1.048 190 K CA 1.246 57.496 56.287 -0.061 0.000 0.928 190 K CB -0.304 32.162 32.500 -0.057 0.000 0.713 190 K HN 0.289 nan 8.250 nan 0.000 0.442 191 A N 0.996 123.798 122.820 -0.029 0.000 1.873 191 A HA -0.077 4.244 4.320 0.002 0.000 0.215 191 A C 2.334 179.959 177.584 0.068 0.000 1.186 191 A CA 1.771 53.842 52.037 0.057 0.000 0.616 191 A CB -0.829 18.275 19.000 0.174 0.000 0.823 191 A HN 0.474 nan 8.150 nan 0.000 0.442 192 A N -0.043 122.786 122.820 0.015 0.000 1.908 192 A HA -0.195 4.126 4.320 0.002 0.000 0.218 192 A C 2.112 179.760 177.584 0.107 0.000 1.181 192 A CA 1.897 53.973 52.037 0.064 0.000 0.627 192 A CB -0.458 18.498 19.000 -0.073 0.000 0.818 192 A HN 0.549 nan 8.150 nan 0.000 0.445 193 K N -0.552 119.867 120.400 0.030 0.000 2.148 193 K HA 0.051 4.373 4.320 0.002 0.000 0.204 193 K C 1.707 178.309 176.600 0.002 0.000 1.050 193 K CA 1.016 57.312 56.287 0.014 0.000 0.942 193 K CB -0.302 32.194 32.500 -0.007 0.000 0.724 193 K HN 0.449 nan 8.250 nan 0.000 0.446 194 L N 1.217 122.448 121.223 0.012 0.000 2.275 194 L HA -0.121 4.220 4.340 0.002 0.000 0.215 194 L C 1.382 178.252 176.870 -0.000 0.000 1.119 194 L CA 0.711 55.555 54.840 0.006 0.000 0.790 194 L CB -0.158 41.912 42.059 0.018 0.000 0.919 194 L HN 0.225 nan 8.230 nan 0.000 0.443 195 N N 0.083 118.796 118.700 0.022 0.000 2.270 195 N HA -0.018 4.724 4.740 0.002 0.000 0.198 195 N C -0.021 175.357 175.510 -0.220 0.000 1.117 195 N CA 0.104 53.140 53.050 -0.023 0.000 0.845 195 N CB 0.285 38.859 38.487 0.145 0.000 0.980 195 N HN 0.198 nan 8.380 nan 0.000 0.486 196 N N 0.075 118.686 118.700 -0.148 0.000 2.782 196 N HA -0.182 4.559 4.740 0.002 0.000 0.251 196 N C -0.884 174.459 175.510 -0.278 0.000 1.101 196 N CA 0.715 53.648 53.050 -0.194 0.000 0.764 196 N CB -1.743 36.623 38.487 -0.202 0.000 1.122 196 N HN 0.194 nan 8.380 nan 0.000 0.561 197 F N 0.136 120.066 119.950 -0.032 0.000 2.371 197 F HA 0.257 4.785 4.527 0.002 0.000 0.329 197 F C 2.334 178.103 175.800 -0.053 0.000 1.107 197 F CA -0.297 57.677 58.000 -0.042 0.000 1.137 197 F CB 0.588 39.553 39.000 -0.058 0.000 1.214 197 F HN -0.191 nan 8.300 nan 0.000 0.536 198 T N -0.215 114.432 114.554 0.155 0.000 2.746 198 T HA -0.057 4.294 4.350 0.002 0.000 0.267 198 T C 0.587 175.303 174.700 0.027 0.000 1.039 198 T CA 1.607 63.743 62.100 0.060 0.000 1.142 198 T CB -0.206 68.686 68.868 0.040 0.000 0.866 198 T HN 0.642 nan 8.240 nan 0.000 0.444 199 S N -1.370 114.332 115.700 0.004 0.000 2.727 199 S HA 0.573 5.044 4.470 0.002 0.000 0.278 199 S C 1.222 175.685 174.600 -0.229 0.000 1.186 199 S CA -0.217 57.929 58.200 -0.091 0.000 0.836 199 S CB 1.071 64.246 63.200 -0.042 0.000 1.186 199 S HN 0.114 nan 8.310 nan 0.000 0.499 200 G N 0.397 108.899 108.800 -0.497 0.000 2.470 200 G HA2 0.160 4.121 3.960 0.002 0.000 0.220 200 G HA3 0.160 4.121 3.960 0.002 0.000 0.220 200 G C 1.420 175.954 174.900 -0.610 0.000 1.121 200 G CA 1.024 45.598 45.100 -0.877 0.000 0.766 200 G HN 1.251 nan 8.290 nan 0.000 0.553 201 A N 1.136 123.856 122.820 -0.167 0.000 1.858 201 A HA -0.031 4.290 4.320 0.002 0.000 0.216 201 A C 2.210 179.658 177.584 -0.226 0.000 1.190 201 A CA 2.100 54.080 52.037 -0.094 0.000 0.617 201 A CB -0.362 18.508 19.000 -0.218 0.000 0.827 201 A HN 0.327 nan 8.150 nan 0.000 0.443 202 E N 0.038 120.095 120.200 -0.238 0.000 2.106 202 E HA 0.018 4.369 4.350 0.002 0.000 0.192 202 E C 2.201 178.463 176.600 -0.564 0.000 0.984 202 E CA 1.219 57.480 56.400 -0.231 0.000 0.806 202 E CB -0.491 29.199 29.700 -0.016 0.000 0.750 202 E HN 0.576 nan 8.360 nan 0.000 0.458 203 A N 0.402 122.749 122.820 -0.788 0.000 1.908 203 A HA -0.189 4.133 4.320 0.002 0.000 0.218 203 A C 1.735 179.083 177.584 -0.393 0.000 1.181 203 A CA 1.351 52.748 52.037 -1.067 0.000 0.627 203 A CB -0.905 17.699 19.000 -0.660 0.000 0.818 203 A HN 0.313 nan 8.150 nan 0.000 0.445 204 W N -0.112 121.039 121.300 -0.248 0.000 2.379 204 W HA -0.013 4.648 4.660 0.002 0.000 0.307 204 W C 2.067 178.581 176.519 -0.007 0.000 1.200 204 W CA 0.748 58.064 57.345 -0.048 0.000 1.297 204 W CB -1.265 28.324 29.460 0.215 0.000 1.140 204 W HN 0.261 nan 8.180 nan 0.000 0.507 205 L N -0.009 121.355 121.223 0.234 0.000 2.275 205 L HA -0.199 4.142 4.340 0.002 0.000 0.215 205 L C 1.978 178.927 176.870 0.131 0.000 1.119 205 L CA 1.519 56.510 54.840 0.251 0.000 0.790 205 L CB -0.778 41.330 42.059 0.081 0.000 0.919 205 L HN -0.093 nan 8.230 nan 0.000 0.443 206 D N 0.093 120.470 120.400 -0.038 0.000 2.182 206 D HA -0.216 4.425 4.640 0.002 0.000 0.201 206 D C 1.976 178.242 176.300 -0.057 0.000 0.986 206 D CA 0.907 54.894 54.000 -0.022 0.000 0.847 206 D CB 0.191 40.933 40.800 -0.096 0.000 0.942 206 D HN 0.177 nan 8.370 nan 0.000 0.467 207 E N -0.677 119.412 120.200 -0.185 0.000 2.333 207 E HA -0.176 4.176 4.350 0.002 0.000 0.198 207 E C 1.085 177.381 176.600 -0.507 0.000 1.007 207 E CA 0.672 56.849 56.400 -0.372 0.000 0.845 207 E CB -0.261 29.116 29.700 -0.538 0.000 0.766 207 E HN 0.631 nan 8.360 nan 0.000 0.507 208 Y N 0.412 120.590 120.300 -0.204 0.000 2.457 208 Y HA 0.141 4.692 4.550 0.002 0.000 0.263 208 Y C 0.351 176.249 175.900 -0.003 0.000 1.164 208 Y CA -0.179 57.706 58.100 -0.358 0.000 1.274 208 Y CB 0.116 37.840 38.460 -1.227 0.000 1.097 208 Y HN -0.063 nan 8.280 nan 0.000 0.523 209 E N 1.534 121.807 120.200 0.121 0.000 2.269 209 E HA -0.265 4.086 4.350 0.002 0.000 0.223 209 E C -0.902 175.802 176.600 0.173 0.000 1.244 209 E CA 0.855 57.334 56.400 0.132 0.000 0.713 209 E CB -0.991 28.764 29.700 0.091 0.000 1.178 209 E HN 0.317 nan 8.360 nan 0.000 0.370 210 D N 0.179 120.708 120.400 0.215 0.000 2.591 210 D HA 0.025 4.666 4.640 0.002 0.000 0.222 210 D C 0.076 176.532 176.300 0.261 0.000 1.360 210 D CA -0.419 53.744 54.000 0.272 0.000 0.967 210 D CB 0.868 41.964 40.800 0.494 0.000 1.456 210 D HN 0.033 nan 8.370 nan 0.000 0.588 211 D N 1.337 121.849 120.400 0.187 0.000 2.378 211 D HA -0.096 4.545 4.640 0.002 0.000 0.227 211 D C 1.106 177.501 176.300 0.158 0.000 1.012 211 D CA 0.536 54.629 54.000 0.154 0.000 0.905 211 D CB -0.180 40.686 40.800 0.110 0.000 0.895 211 D HN 0.311 nan 8.370 nan 0.000 0.532 212 T N -4.382 110.292 114.554 0.199 0.000 3.182 212 T HA 0.180 4.531 4.350 0.002 0.000 0.277 212 T C 1.081 175.909 174.700 0.214 0.000 1.013 212 T CA -0.711 61.493 62.100 0.173 0.000 0.900 212 T CB -0.849 68.102 68.868 0.138 0.000 1.098 212 T HN -0.060 nan 8.240 nan 0.000 0.543 213 F N 2.718 122.734 119.950 0.110 0.000 2.134 213 F HA 0.048 4.576 4.527 0.002 0.000 0.299 213 F C 2.118 177.955 175.800 0.062 0.000 1.097 213 F CA 1.470 59.526 58.000 0.094 0.000 1.264 213 F CB -0.065 38.988 39.000 0.088 0.000 1.001 213 F HN 0.247 nan 8.300 nan 0.000 0.479 214 E N -0.707 119.591 120.200 0.163 0.000 2.051 214 E HA -0.307 4.045 4.350 0.002 0.000 0.192 214 E C 2.099 178.772 176.600 0.122 0.000 0.991 214 E CA 1.388 57.875 56.400 0.145 0.000 0.799 214 E CB -0.305 29.456 29.700 0.103 0.000 0.748 214 E HN 0.292 nan 8.360 nan 0.000 0.449 215 Q N 1.084 120.942 119.800 0.096 0.000 2.124 215 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 215 Q C 1.923 177.956 176.000 0.054 0.000 0.977 215 Q CA 1.653 57.511 55.803 0.091 0.000 0.850 215 Q CB -0.039 28.748 28.738 0.082 0.000 0.901 215 Q HN 0.295 nan 8.270 nan 0.000 0.429 216 Q N -0.603 119.190 119.800 -0.012 0.000 2.096 216 Q HA -0.150 4.191 4.340 0.002 0.000 0.204 216 Q C 2.102 178.029 176.000 -0.121 0.000 0.982 216 Q CA 1.545 57.305 55.803 -0.073 0.000 0.850 216 Q CB -0.139 28.512 28.738 -0.145 0.000 0.901 216 Q HN 0.395 nan 8.270 nan 0.000 0.422 217 L N 0.485 121.584 121.223 -0.207 0.000 2.109 217 L HA -0.163 4.178 4.340 0.002 0.000 0.207 217 L C 2.349 179.244 176.870 0.042 0.000 1.086 217 L CA 0.731 55.432 54.840 -0.232 0.000 0.760 217 L CB -0.322 41.474 42.059 -0.437 0.000 0.910 217 L HN 0.183 nan 8.230 nan 0.000 0.437 218 E N 0.300 120.644 120.200 0.240 0.000 2.085 218 E HA -0.223 4.128 4.350 0.002 0.000 0.194 218 E C 1.732 178.493 176.600 0.269 0.000 0.994 218 E CA 1.367 57.996 56.400 0.383 0.000 0.801 218 E CB -0.254 29.623 29.700 0.295 0.000 0.743 218 E HN 0.498 nan 8.360 nan 0.000 0.453 219 D N 0.599 121.087 120.400 0.146 0.000 2.097 219 D HA -0.099 4.542 4.640 0.002 0.000 0.195 219 D C 2.173 178.520 176.300 0.079 0.000 0.989 219 D CA 0.711 54.768 54.000 0.096 0.000 0.827 219 D CB -0.310 40.526 40.800 0.060 0.000 0.966 219 D HN 0.194 nan 8.370 nan 0.000 0.456 220 I N 0.044 120.648 120.570 0.058 0.000 2.202 220 I HA -0.227 3.944 4.170 0.002 0.000 0.242 220 I C 2.209 178.371 176.117 0.075 0.000 1.091 220 I CA 0.574 61.894 61.300 0.033 0.000 1.368 220 I CB -0.187 37.800 38.000 -0.022 0.000 1.058 220 I HN -0.109 nan 8.210 nan 0.000 0.410 221 F N 1.946 121.896 119.950 0.000 0.000 2.126 221 F HA -0.254 4.275 4.527 0.002 0.000 0.299 221 F C 2.456 178.314 175.800 0.096 0.000 1.096 221 F CA 1.389 59.426 58.000 0.062 0.000 1.255 221 F CB -0.407 38.712 39.000 0.199 0.000 0.997 221 F HN 0.013 nan 8.300 nan 0.000 0.479 222 A N -0.119 122.727 122.820 0.043 0.000 1.940 222 A HA -0.202 4.119 4.320 0.002 0.000 0.219 222 A C 1.945 179.462 177.584 -0.112 0.000 1.176 222 A CA 2.000 54.001 52.037 -0.061 0.000 0.631 222 A CB -0.948 18.085 19.000 0.055 0.000 0.814 222 A HN 0.447 nan 8.150 nan 0.000 0.446 223 D N -0.114 120.246 120.400 -0.066 0.000 2.178 223 D HA -0.086 4.555 4.640 0.002 0.000 0.202 223 D C 1.676 177.925 176.300 -0.084 0.000 0.974 223 D CA 0.961 54.929 54.000 -0.054 0.000 0.841 223 D CB -0.119 40.670 40.800 -0.019 0.000 0.953 223 D HN 0.423 nan 8.370 nan 0.000 0.478 224 I N 0.001 120.489 120.570 -0.137 0.000 3.228 224 I HA 0.052 4.224 4.170 0.002 0.000 0.279 224 I C 2.245 178.250 176.117 -0.188 0.000 1.221 224 I CA 0.160 61.381 61.300 -0.132 0.000 1.458 224 I CB -0.687 37.252 38.000 -0.102 0.000 1.105 224 I HN -0.055 nan 8.210 nan 0.000 0.445 225 R N 1.772 122.050 120.500 -0.370 0.000 2.103 225 R HA -0.173 4.168 4.340 0.002 0.000 0.242 225 R C -0.467 175.787 176.300 -0.078 0.000 1.142 225 R CA 2.068 57.950 56.100 -0.364 0.000 0.960 225 R CB -0.986 28.984 30.300 -0.550 0.000 0.858 225 R HN 0.211 nan 8.270 nan 0.000 0.439 226 P HA -0.159 nan 4.420 nan 0.000 0.216 226 P C 1.141 178.447 177.300 0.011 0.000 1.150 226 P CA 0.854 63.938 63.100 -0.027 0.000 0.837 226 P CB -0.061 31.617 31.700 -0.037 0.000 0.786 227 L N -1.435 119.794 121.223 0.009 0.000 2.046 227 L HA -0.163 4.178 4.340 0.002 0.000 0.208 227 L C 2.343 179.243 176.870 0.051 0.000 1.077 227 L CA 1.747 56.600 54.840 0.023 0.000 0.747 227 L CB -1.578 40.477 42.059 -0.006 0.000 0.896 227 L HN -0.077 nan 8.230 nan 0.000 0.432 228 Y N 0.031 120.312 120.300 -0.033 0.000 2.181 228 Y HA -0.262 4.289 4.550 0.002 0.000 0.288 228 Y C 2.485 178.480 175.900 0.159 0.000 1.146 228 Y CA 1.989 60.104 58.100 0.025 0.000 1.164 228 Y CB -0.220 38.259 38.460 0.030 0.000 0.982 228 Y HN 0.338 nan 8.280 nan 0.000 0.515 229 Q N 0.036 119.891 119.800 0.091 0.000 2.135 229 Q HA -0.221 4.121 4.340 0.002 0.000 0.204 229 Q C 2.046 178.097 176.000 0.086 0.000 0.981 229 Q CA 1.560 57.414 55.803 0.087 0.000 0.856 229 Q CB -0.402 28.372 28.738 0.060 0.000 0.902 229 Q HN 0.611 nan 8.270 nan 0.000 0.425 230 Q N 0.231 120.072 119.800 0.067 0.000 2.079 230 Q HA -0.022 4.320 4.340 0.002 0.000 0.200 230 Q C 2.317 178.430 176.000 0.189 0.000 0.974 230 Q CA 0.821 56.687 55.803 0.105 0.000 0.840 230 Q CB -0.219 28.565 28.738 0.077 0.000 0.898 230 Q HN 0.436 nan 8.270 nan 0.000 0.430 231 I N 0.432 121.084 120.570 0.137 0.000 2.179 231 I HA -0.286 3.885 4.170 0.002 0.000 0.242 231 I C 2.657 178.952 176.117 0.296 0.000 1.088 231 I CA 1.210 62.637 61.300 0.213 0.000 1.357 231 I CB -0.513 37.472 38.000 -0.024 0.000 1.051 231 I HN 0.308 nan 8.210 nan 0.000 0.409 232 H N 1.366 120.428 119.070 -0.013 0.000 2.289 232 H HA -0.189 4.368 4.556 0.002 0.000 0.296 232 H C 2.166 177.606 175.328 0.188 0.000 1.091 232 H CA 2.258 58.362 56.048 0.095 0.000 1.274 232 H CB -0.482 29.204 29.762 -0.128 0.000 1.364 232 H HN 0.347 nan 8.280 nan 0.000 0.490 233 G N -0.640 108.400 108.800 0.400 0.000 2.446 233 G HA2 -0.337 3.624 3.960 0.002 0.000 0.217 233 G HA3 -0.337 3.624 3.960 0.002 0.000 0.217 233 G C 1.838 176.912 174.900 0.289 0.000 1.168 233 G CA 0.935 46.233 45.100 0.329 0.000 0.771 233 G HN 0.572 nan 8.290 nan 0.000 0.551 234 Y N 0.766 121.200 120.300 0.225 0.000 2.200 234 Y HA -0.085 4.466 4.550 0.002 0.000 0.290 234 Y C 2.914 179.002 175.900 0.315 0.000 1.137 234 Y CA 1.483 59.752 58.100 0.282 0.000 1.163 234 Y CB -0.089 38.544 38.460 0.289 0.000 0.988 234 Y HN 0.045 nan 8.280 nan 0.000 0.518 235 V N 0.894 121.014 119.914 0.344 0.000 2.295 235 V HA -0.334 3.787 4.120 0.002 0.000 0.246 235 V C 2.478 178.530 176.094 -0.070 0.000 1.049 235 V CA 2.328 64.724 62.300 0.160 0.000 1.024 235 V CB -0.740 31.205 31.823 0.204 0.000 0.648 235 V HN 0.374 nan 8.190 nan 0.000 0.447 236 R N -0.440 120.001 120.500 -0.098 0.000 2.083 236 R HA -0.235 4.107 4.340 0.002 0.000 0.237 236 R C 2.300 178.581 176.300 -0.031 0.000 1.137 236 R CA 2.257 58.287 56.100 -0.117 0.000 0.951 236 R CB -0.508 29.737 30.300 -0.091 0.000 0.851 236 R HN 0.485 nan 8.270 nan 0.000 0.434 237 F N 1.598 121.475 119.950 -0.122 0.000 2.095 237 F HA -0.201 4.328 4.527 0.002 0.000 0.298 237 F C 2.071 177.754 175.800 -0.195 0.000 1.104 237 F CA 1.557 59.468 58.000 -0.148 0.000 1.232 237 F CB -0.193 38.700 39.000 -0.179 0.000 0.987 237 F HN -0.066 nan 8.300 nan 0.000 0.475 238 R N 0.699 120.852 120.500 -0.578 0.000 2.115 238 R HA -0.049 4.292 4.340 0.002 0.000 0.230 238 R C 2.382 178.486 176.300 -0.325 0.000 1.111 238 R CA 1.308 57.042 56.100 -0.608 0.000 0.976 238 R CB -1.185 28.852 30.300 -0.439 0.000 0.870 238 R HN 0.419 nan 8.270 nan 0.000 0.445 239 L N 0.094 121.198 121.223 -0.198 0.000 2.141 239 L HA -0.087 4.254 4.340 0.002 0.000 0.209 239 L C 2.557 179.422 176.870 -0.008 0.000 1.094 239 L CA 1.106 55.914 54.840 -0.053 0.000 0.763 239 L CB -0.279 41.734 42.059 -0.077 0.000 0.908 239 L HN 0.101 nan 8.230 nan 0.000 0.437 240 R N 0.195 120.630 120.500 -0.109 0.000 2.096 240 R HA -0.154 4.187 4.340 0.002 0.000 0.235 240 R C 2.231 178.456 176.300 -0.123 0.000 1.127 240 R CA 1.213 57.258 56.100 -0.091 0.000 0.968 240 R CB -0.163 30.087 30.300 -0.083 0.000 0.861 240 R HN 0.330 nan 8.270 nan 0.000 0.440 241 K N -0.996 119.266 120.400 -0.230 0.000 2.148 241 K HA -0.172 4.149 4.320 0.002 0.000 0.204 241 K C 1.845 178.349 176.600 -0.160 0.000 1.050 241 K CA 1.315 57.467 56.287 -0.226 0.000 0.942 241 K CB -0.117 32.172 32.500 -0.351 0.000 0.724 241 K HN 0.289 nan 8.250 nan 0.000 0.446 242 H N -0.865 118.066 119.070 -0.233 0.000 2.329 242 H HA -0.031 4.526 4.556 0.002 0.000 0.306 242 H C 1.207 176.328 175.328 -0.346 0.000 1.062 242 H CA 1.571 57.434 56.048 -0.309 0.000 1.364 242 H CB 0.201 29.726 29.762 -0.394 0.000 1.409 242 H HN 0.111 nan 8.280 nan 0.000 0.519 243 Y N -0.191 120.078 120.300 -0.050 0.000 2.510 243 Y HA 0.267 4.818 4.550 0.002 0.000 0.273 243 Y C 1.273 177.075 175.900 -0.163 0.000 1.119 243 Y CA 0.551 58.579 58.100 -0.119 0.000 1.286 243 Y CB 0.563 38.940 38.460 -0.137 0.000 1.061 243 Y HN 0.491 nan 8.280 nan 0.000 0.542 244 G N 0.489 109.281 108.800 -0.013 0.000 2.730 244 G HA2 -0.252 3.709 3.960 0.002 0.000 0.686 244 G HA3 -0.252 3.709 3.960 0.002 0.000 0.686 244 G C -0.388 174.482 174.900 -0.050 0.000 1.343 244 G CA -0.212 44.859 45.100 -0.048 0.000 0.826 244 G HN 0.209 nan 8.290 nan 0.000 0.582 245 D N 0.326 120.695 120.400 -0.051 0.000 2.348 245 D HA 0.277 4.918 4.640 0.002 0.000 0.216 245 D C 2.512 178.775 176.300 -0.062 0.000 0.970 245 D CA 1.660 55.630 54.000 -0.051 0.000 0.889 245 D CB -0.041 40.736 40.800 -0.037 0.000 0.912 245 D HN 0.872 nan 8.370 nan 0.000 0.524 246 A N -0.056 122.723 122.820 -0.068 0.000 2.014 246 A HA -0.065 4.256 4.320 0.002 0.000 0.218 246 A C 2.124 179.638 177.584 -0.116 0.000 1.163 246 A CA 0.884 52.876 52.037 -0.075 0.000 0.652 246 A CB -0.127 18.838 19.000 -0.059 0.000 0.808 246 A HN 0.178 nan 8.150 nan 0.000 0.449 247 V N -1.205 118.611 119.914 -0.163 0.000 2.795 247 V HA 0.067 4.188 4.120 0.002 0.000 0.243 247 V C 0.387 176.361 176.094 -0.201 0.000 1.069 247 V CA 0.814 62.965 62.300 -0.250 0.000 1.089 247 V CB 0.236 31.807 31.823 -0.420 0.000 0.756 247 V HN 0.175 nan 8.190 nan 0.000 0.471 248 V N 1.460 121.286 119.914 -0.146 0.000 2.483 248 V HA 0.510 4.631 4.120 0.002 0.000 0.297 248 V C -0.045 176.003 176.094 -0.076 0.000 1.027 248 V CA -0.501 61.723 62.300 -0.126 0.000 0.855 248 V CB 1.650 33.398 31.823 -0.125 0.000 0.995 248 V HN 0.425 nan 8.190 nan 0.000 0.424 249 S N 2.400 118.065 115.700 -0.059 0.000 2.632 249 S HA 0.340 4.811 4.470 0.002 0.000 0.271 249 S C 0.884 175.485 174.600 0.002 0.000 1.260 249 S CA -0.195 57.987 58.200 -0.030 0.000 1.010 249 S CB 1.755 64.940 63.200 -0.025 0.000 0.965 249 S HN 0.835 nan 8.310 nan 0.000 0.534 250 E N 0.639 120.841 120.200 0.003 0.000 2.152 250 E HA -0.134 4.217 4.350 0.002 0.000 0.192 250 E C 1.410 178.049 176.600 0.066 0.000 0.983 250 E CA 1.614 58.034 56.400 0.032 0.000 0.818 250 E CB -0.179 29.510 29.700 -0.019 0.000 0.758 250 E HN 0.933 nan 8.360 nan 0.000 0.467 251 T N -3.153 111.404 114.554 0.005 0.000 3.001 251 T HA 0.299 4.650 4.350 0.002 0.000 0.251 251 T C 0.759 175.579 174.700 0.199 0.000 1.040 251 T CA 0.014 62.136 62.100 0.036 0.000 0.985 251 T CB 0.832 69.613 68.868 -0.145 0.000 1.011 251 T HN 0.108 nan 8.240 nan 0.000 0.509 252 G N 2.179 111.068 108.800 0.148 0.000 2.522 252 G HA2 0.608 4.569 3.960 0.002 0.000 0.304 252 G HA3 0.608 4.569 3.960 0.002 0.000 0.304 252 G C -2.933 172.079 174.900 0.187 0.000 1.210 252 G CA -1.881 43.313 45.100 0.157 0.000 0.960 252 G HN 0.083 nan 8.290 nan 0.000 0.497 253 P HA 0.117 nan 4.420 nan 0.000 0.267 253 P C -0.050 177.204 177.300 -0.076 0.000 1.200 253 P CA -0.029 63.046 63.100 -0.043 0.000 0.772 253 P CB 0.632 32.262 31.700 -0.117 0.000 0.855 254 I N 4.145 124.633 120.570 -0.136 0.000 2.556 254 I HA 0.093 4.264 4.170 0.002 0.000 0.284 254 I C -1.906 174.076 176.117 -0.226 0.000 1.114 254 I CA -1.986 59.173 61.300 -0.235 0.000 1.418 254 I CB 0.286 38.039 38.000 -0.411 0.000 1.394 254 I HN 0.150 nan 8.210 nan 0.000 0.552 255 P HA -0.002 nan 4.420 nan 0.000 0.265 255 P C 0.758 177.949 177.300 -0.181 0.000 1.222 255 P CA -0.036 62.951 63.100 -0.189 0.000 0.767 255 P CB 0.512 32.145 31.700 -0.113 0.000 0.801 256 M N 3.767 123.272 119.600 -0.159 0.000 2.374 256 M HA -0.151 4.330 4.480 0.002 0.000 0.264 256 M C 1.346 177.620 176.300 -0.043 0.000 1.067 256 M CA 1.557 56.800 55.300 -0.095 0.000 1.103 256 M CB -0.851 31.769 32.600 0.033 0.000 1.402 256 M HN 0.331 nan 8.290 nan 0.000 0.444 257 H N 1.128 120.035 119.070 -0.272 0.000 2.559 257 H HA 0.106 4.663 4.556 0.002 0.000 0.273 257 H C 1.363 176.596 175.328 -0.158 0.000 1.000 257 H CA 0.652 56.608 56.048 -0.154 0.000 1.195 257 H CB -0.887 28.750 29.762 -0.209 0.000 1.368 257 H HN 0.536 nan 8.280 nan 0.000 0.592 258 L N 0.507 121.394 121.223 -0.559 0.000 2.607 258 L HA 0.181 4.522 4.340 0.002 0.000 0.228 258 L C 1.457 178.134 176.870 -0.322 0.000 1.123 258 L CA 0.030 54.545 54.840 -0.541 0.000 0.890 258 L CB 0.167 41.778 42.059 -0.746 0.000 1.103 258 L HN 0.130 nan 8.230 nan 0.000 0.468 259 L N -0.080 120.972 121.223 -0.284 0.000 2.628 259 L HA 0.298 4.639 4.340 0.002 0.000 0.229 259 L C 1.436 178.263 176.870 -0.070 0.000 1.137 259 L CA 0.313 54.964 54.840 -0.315 0.000 0.909 259 L CB 0.048 41.753 42.059 -0.590 0.000 1.137 259 L HN 0.405 nan 8.230 nan 0.000 0.470 260 G N 0.726 109.505 108.800 -0.034 0.000 2.162 260 G HA2 -0.305 3.656 3.960 0.002 0.000 0.260 260 G HA3 -0.305 3.656 3.960 0.002 0.000 0.260 260 G C 0.051 174.982 174.900 0.052 0.000 0.976 260 G CA 0.233 45.346 45.100 0.021 0.000 0.655 260 G HN 0.453 nan 8.290 nan 0.000 0.533 261 N N -0.850 117.889 118.700 0.065 0.000 2.324 261 N HA 0.396 5.137 4.740 0.002 0.000 0.285 261 N C 1.095 176.591 175.510 -0.022 0.000 1.076 261 N CA -0.281 52.811 53.050 0.070 0.000 0.864 261 N CB 1.410 40.020 38.487 0.205 0.000 1.632 261 N HN -0.028 nan 8.380 nan 0.000 0.478 262 M N 2.673 122.058 119.600 -0.360 0.000 2.267 262 M HA 0.052 4.533 4.480 0.002 0.000 0.263 262 M C 0.463 176.478 176.300 -0.474 0.000 1.063 262 M CA 1.718 56.584 55.300 -0.724 0.000 1.090 262 M CB -0.095 31.456 32.600 -1.749 0.000 1.392 262 M HN 0.617 nan 8.290 nan 0.000 0.422 263 W N -0.953 120.519 121.300 0.286 0.000 2.862 263 W HA 0.580 5.241 4.660 0.002 0.000 0.376 263 W C 1.036 177.698 176.519 0.238 0.000 1.028 263 W CA 0.153 57.709 57.345 0.351 0.000 1.757 263 W CB -0.914 28.690 29.460 0.240 0.000 1.128 263 W HN 0.367 nan 8.180 nan 0.000 0.566 264 A N 2.041 125.076 122.820 0.358 0.000 2.799 264 A HA -0.349 3.972 4.320 0.002 0.000 0.287 264 A C 1.661 179.441 177.584 0.328 0.000 1.484 264 A CA 2.058 54.333 52.037 0.395 0.000 0.813 264 A CB -2.050 17.198 19.000 0.412 0.000 1.009 264 A HN 0.611 nan 8.150 nan 0.000 0.545 265 Q N -1.186 118.588 119.800 -0.043 0.000 2.389 265 Q HA 0.110 4.451 4.340 0.002 0.000 0.204 265 Q C 0.794 176.760 176.000 -0.057 0.000 0.944 265 Q CA 1.161 56.673 55.803 -0.484 0.000 0.908 265 Q CB 0.213 28.222 28.738 -1.216 0.000 1.002 265 Q HN 0.905 nan 8.270 nan 0.000 0.493 266 Q N -0.723 119.142 119.800 0.109 0.000 2.268 266 Q HA 0.170 4.511 4.340 0.002 0.000 0.266 266 Q C -1.472 174.728 176.000 0.333 0.000 1.006 266 Q CA -0.723 55.148 55.803 0.113 0.000 0.824 266 Q CB 1.231 30.046 28.738 0.128 0.000 1.306 266 Q HN 0.357 nan 8.270 nan 0.000 0.424 267 W N 2.242 123.588 121.300 0.077 0.000 3.123 267 W HA 0.150 4.811 4.660 0.002 0.000 0.383 267 W C 1.547 178.102 176.519 0.060 0.000 1.102 267 W CA 0.222 57.603 57.345 0.059 0.000 1.865 267 W CB -0.236 29.254 29.460 0.050 0.000 1.111 267 W HN 0.726 nan 8.180 nan 0.000 0.621 268 S N -0.079 115.770 115.700 0.247 0.000 2.419 268 S HA -0.186 4.285 4.470 0.002 0.000 0.233 268 S C 1.360 176.055 174.600 0.158 0.000 1.016 268 S CA 1.173 59.485 58.200 0.187 0.000 0.974 268 S CB -0.160 63.134 63.200 0.156 0.000 0.786 268 S HN 0.127 nan 8.310 nan 0.000 0.492 269 E N 1.636 121.921 120.200 0.141 0.000 2.338 269 E HA -0.021 4.330 4.350 0.002 0.000 0.197 269 E C 1.719 178.362 176.600 0.071 0.000 1.007 269 E CA 1.035 57.489 56.400 0.091 0.000 0.849 269 E CB -0.354 29.388 29.700 0.070 0.000 0.774 269 E HN 0.968 nan 8.360 nan 0.000 0.506 270 I N -3.571 117.054 120.570 0.092 0.000 3.914 270 I HA 0.368 4.539 4.170 0.002 0.000 0.333 270 I C 1.787 177.958 176.117 0.090 0.000 1.449 270 I CA -0.070 61.258 61.300 0.047 0.000 1.135 270 I CB 0.397 38.395 38.000 -0.004 0.000 1.073 270 I HN -0.229 nan 8.210 nan 0.000 0.401 271 A N 2.600 125.506 122.820 0.143 0.000 1.940 271 A HA -0.267 4.054 4.320 0.002 0.000 0.219 271 A C 2.118 179.784 177.584 0.137 0.000 1.176 271 A CA 2.198 54.352 52.037 0.195 0.000 0.631 271 A CB -0.761 18.361 19.000 0.204 0.000 0.814 271 A HN 0.750 nan 8.150 nan 0.000 0.446 272 D N 0.696 121.143 120.400 0.079 0.000 2.263 272 D HA -0.166 4.475 4.640 0.002 0.000 0.208 272 D C 1.607 177.915 176.300 0.013 0.000 0.971 272 D CA 1.579 55.608 54.000 0.048 0.000 0.867 272 D CB -0.478 40.338 40.800 0.028 0.000 0.929 272 D HN 0.736 nan 8.370 nan 0.000 0.492 273 I N -1.608 118.945 120.570 -0.027 0.000 3.941 273 I HA 0.092 4.264 4.170 0.002 0.000 0.321 273 I C 1.600 177.686 176.117 -0.052 0.000 1.284 273 I CA -0.128 61.116 61.300 -0.094 0.000 1.226 273 I CB 0.664 38.465 38.000 -0.333 0.000 1.045 273 I HN -0.044 nan 8.210 nan 0.000 0.420 274 V N -1.091 118.848 119.914 0.042 0.000 3.432 274 V HA 0.337 4.458 4.120 0.002 0.000 0.298 274 V C 0.881 177.074 176.094 0.165 0.000 1.464 274 V CA 0.120 62.483 62.300 0.106 0.000 1.046 274 V CB -0.790 31.168 31.823 0.225 0.000 0.887 274 V HN 0.398 nan 8.190 nan 0.000 0.441 275 S N 0.936 116.708 115.700 0.122 0.000 2.549 275 S HA 0.329 4.801 4.470 0.002 0.000 0.286 275 S C -1.166 173.395 174.600 -0.065 0.000 1.314 275 S CA -0.271 57.965 58.200 0.059 0.000 1.062 275 S CB 0.891 64.157 63.200 0.110 0.000 0.865 275 S HN 0.281 nan 8.310 nan 0.000 0.498 276 P HA -0.061 nan 4.420 nan 0.000 0.216 276 P C -0.194 176.733 177.300 -0.622 0.000 1.154 276 P CA 1.361 64.172 63.100 -0.482 0.000 0.865 276 P CB -0.034 31.106 31.700 -0.934 0.000 0.789 277 F N -2.803 117.128 119.950 -0.031 0.000 2.564 277 F HA 0.340 4.868 4.527 0.002 0.000 0.368 277 F C -1.863 173.946 175.800 0.014 0.000 1.127 277 F CA -2.218 55.784 58.000 0.004 0.000 1.170 277 F CB 1.236 40.210 39.000 -0.043 0.000 1.397 277 F HN -0.095 nan 8.300 nan 0.000 0.493 278 P HA -0.126 nan 4.420 nan 0.000 0.222 278 P C 0.867 178.223 177.300 0.094 0.000 1.147 278 P CA 1.331 64.488 63.100 0.095 0.000 0.790 278 P CB 0.283 32.020 31.700 0.062 0.000 0.780 279 E N -1.212 119.055 120.200 0.112 0.000 2.479 279 E HA 0.035 4.386 4.350 0.002 0.000 0.193 279 E C 0.412 177.046 176.600 0.056 0.000 1.049 279 E CA 0.326 56.772 56.400 0.076 0.000 0.870 279 E CB 0.172 29.916 29.700 0.073 0.000 0.944 279 E HN 0.205 nan 8.360 nan 0.000 0.492 280 K N 1.359 121.805 120.400 0.076 0.000 2.166 280 K HA 0.344 4.665 4.320 0.002 0.000 0.245 280 K C -2.483 174.141 176.600 0.039 0.000 0.967 280 K CA -2.431 53.867 56.287 0.019 0.000 0.863 280 K CB 0.739 33.226 32.500 -0.023 0.000 1.107 280 K HN -0.126 nan 8.250 nan 0.000 0.436 281 P HA 0.072 nan 4.420 nan 0.000 0.268 281 P C -0.694 176.707 177.300 0.167 0.000 1.205 281 P CA -0.372 62.779 63.100 0.085 0.000 0.771 281 P CB 0.513 32.250 31.700 0.062 0.000 0.858 282 L N 4.644 125.968 121.223 0.169 0.000 2.349 282 L HA 0.286 4.627 4.340 0.002 0.000 0.278 282 L C -0.689 176.272 176.870 0.152 0.000 0.996 282 L CA -0.845 54.097 54.840 0.170 0.000 0.825 282 L CB 1.907 44.049 42.059 0.138 0.000 1.243 282 L HN 0.045 nan 8.230 nan 0.000 0.412 283 V N 4.535 124.535 119.914 0.144 0.000 2.446 283 V HA 0.260 4.382 4.120 0.002 0.000 0.276 283 V C -0.302 175.827 176.094 0.059 0.000 1.030 283 V CA 0.134 62.476 62.300 0.070 0.000 1.033 283 V CB 0.553 32.381 31.823 0.008 0.000 0.993 283 V HN 0.760 nan 8.190 nan 0.000 0.477 284 D N 4.074 124.492 120.400 0.029 0.000 2.328 284 D HA 0.185 4.826 4.640 0.002 0.000 0.243 284 D C 0.269 176.548 176.300 -0.035 0.000 1.324 284 D CA -0.388 53.615 54.000 0.004 0.000 0.966 284 D CB 1.884 42.698 40.800 0.022 0.000 1.324 284 D HN 0.336 nan 8.370 nan 0.000 0.549 285 V N 1.211 121.079 119.914 -0.078 0.000 3.649 285 V HA 0.154 4.275 4.120 0.002 0.000 0.275 285 V C 1.625 177.626 176.094 -0.155 0.000 1.281 285 V CA 0.496 62.727 62.300 -0.117 0.000 1.143 285 V CB 0.070 31.808 31.823 -0.140 0.000 0.892 285 V HN 0.274 nan 8.190 nan 0.000 0.441 286 S N 1.902 117.526 115.700 -0.128 0.000 2.370 286 S HA -0.138 4.333 4.470 0.002 0.000 0.226 286 S C 2.277 176.812 174.600 -0.109 0.000 1.033 286 S CA 1.959 60.084 58.200 -0.125 0.000 1.011 286 S CB -0.490 62.659 63.200 -0.085 0.000 0.852 286 S HN 0.940 nan 8.310 nan 0.000 0.457 287 A N 1.583 124.356 122.820 -0.077 0.000 1.902 287 A HA -0.111 4.210 4.320 0.002 0.000 0.217 287 A C 2.093 179.634 177.584 -0.072 0.000 1.181 287 A CA 1.237 53.240 52.037 -0.057 0.000 0.623 287 A CB -0.416 18.564 19.000 -0.033 0.000 0.818 287 A HN 0.316 nan 8.150 nan 0.000 0.443 288 E N -0.375 119.766 120.200 -0.098 0.000 2.106 288 E HA -0.135 4.216 4.350 0.002 0.000 0.192 288 E C 2.064 178.550 176.600 -0.190 0.000 0.984 288 E CA 1.073 57.406 56.400 -0.112 0.000 0.806 288 E CB -0.383 29.252 29.700 -0.108 0.000 0.750 288 E HN 0.728 nan 8.360 nan 0.000 0.458 289 M N 0.398 119.805 119.600 -0.323 0.000 2.080 289 M HA -0.184 4.297 4.480 0.002 0.000 0.260 289 M C 2.101 178.298 176.300 -0.172 0.000 1.068 289 M CA 1.566 56.529 55.300 -0.560 0.000 1.109 289 M CB -0.319 31.933 32.600 -0.580 0.000 1.342 289 M HN 0.027 nan 8.290 nan 0.000 0.405 290 E N 0.165 120.314 120.200 -0.086 0.000 2.077 290 E HA -0.226 4.125 4.350 0.002 0.000 0.193 290 E C 2.026 178.638 176.600 0.019 0.000 0.989 290 E CA 1.088 57.486 56.400 -0.003 0.000 0.800 290 E CB -0.232 29.462 29.700 -0.010 0.000 0.746 290 E HN 0.424 nan 8.360 nan 0.000 0.452 291 K N 1.009 121.407 120.400 -0.004 0.000 2.097 291 K HA -0.182 4.139 4.320 0.002 0.000 0.206 291 K C 1.859 178.484 176.600 0.043 0.000 1.049 291 K CA 1.254 57.548 56.287 0.012 0.000 0.933 291 K CB 0.083 32.581 32.500 -0.003 0.000 0.717 291 K HN 0.092 nan 8.250 nan 0.000 0.442 292 Q N -0.839 119.002 119.800 0.069 0.000 2.444 292 Q HA 0.049 4.390 4.340 0.002 0.000 0.206 292 Q C 0.429 176.546 176.000 0.195 0.000 0.948 292 Q CA 0.453 56.343 55.803 0.145 0.000 0.946 292 Q CB 0.558 29.429 28.738 0.222 0.000 1.027 292 Q HN 0.603 nan 8.270 nan 0.000 0.513 293 G N 0.760 109.660 108.800 0.165 0.000 2.198 293 G HA2 -0.320 3.641 3.960 0.002 0.000 0.257 293 G HA3 -0.320 3.641 3.960 0.002 0.000 0.257 293 G C -0.329 174.684 174.900 0.189 0.000 1.042 293 G CA -0.250 44.934 45.100 0.140 0.000 0.791 293 G HN 0.422 nan 8.290 nan 0.000 0.502 294 Y N 1.110 121.424 120.300 0.023 0.000 2.702 294 Y HA 0.283 4.834 4.550 0.002 0.000 0.336 294 Y C 1.703 177.630 175.900 0.046 0.000 1.235 294 Y CA 1.018 59.139 58.100 0.035 0.000 1.492 294 Y CB 0.648 39.126 38.460 0.030 0.000 1.308 294 Y HN 0.418 nan 8.280 nan 0.000 0.589 295 T N 0.275 114.909 114.554 0.133 0.000 2.930 295 T HA 0.325 4.676 4.350 0.002 0.000 0.290 295 T C -2.276 172.527 174.700 0.171 0.000 1.052 295 T CA -2.316 59.861 62.100 0.128 0.000 1.017 295 T CB 1.938 70.856 68.868 0.082 0.000 1.137 295 T HN 0.182 nan 8.240 nan 0.000 0.511 296 P HA -0.079 nan 4.420 nan 0.000 0.216 296 P C 1.721 179.271 177.300 0.417 0.000 1.153 296 P CA 0.409 63.697 63.100 0.314 0.000 0.858 296 P CB -0.041 31.827 31.700 0.279 0.000 0.789 297 L N 0.404 121.791 121.223 0.274 0.000 2.012 297 L HA -0.187 4.154 4.340 0.002 0.000 0.210 297 L C 2.294 179.310 176.870 0.242 0.000 1.073 297 L CA 2.042 57.041 54.840 0.264 0.000 0.748 297 L CB -1.199 40.929 42.059 0.115 0.000 0.891 297 L HN -0.176 nan 8.230 nan 0.000 0.431 298 K N -1.111 119.354 120.400 0.108 0.000 2.063 298 K HA -0.212 4.109 4.320 0.002 0.000 0.208 298 K C 2.065 178.695 176.600 0.049 0.000 1.048 298 K CA 2.023 58.305 56.287 -0.008 0.000 0.928 298 K CB -0.180 32.196 32.500 -0.207 0.000 0.713 298 K HN 0.353 nan 8.250 nan 0.000 0.442 299 M N -0.499 119.180 119.600 0.130 0.000 2.117 299 M HA -0.135 4.346 4.480 0.002 0.000 0.262 299 M C 1.875 178.229 176.300 0.089 0.000 1.065 299 M CA 1.644 57.024 55.300 0.132 0.000 1.114 299 M CB -0.284 32.391 32.600 0.125 0.000 1.361 299 M HN 0.083 nan 8.290 nan 0.000 0.408 300 F N 0.509 120.593 119.950 0.223 0.000 2.186 300 F HA -0.184 4.345 4.527 0.002 0.000 0.299 300 F C 2.591 178.628 175.800 0.395 0.000 1.090 300 F CA 1.409 59.589 58.000 0.300 0.000 1.307 300 F CB -0.445 38.827 39.000 0.453 0.000 1.019 300 F HN 0.163 nan 8.300 nan 0.000 0.489 301 Q N -0.487 119.641 119.800 0.547 0.000 2.124 301 Q HA -0.211 4.130 4.340 0.002 0.000 0.202 301 Q C 2.203 178.359 176.000 0.260 0.000 0.977 301 Q CA 1.527 57.554 55.803 0.373 0.000 0.850 301 Q CB -0.248 28.558 28.738 0.112 0.000 0.901 301 Q HN 0.466 nan 8.270 nan 0.000 0.429 302 M N -0.458 119.263 119.600 0.202 0.000 2.175 302 M HA -0.081 4.400 4.480 0.002 0.000 0.264 302 M C 2.163 178.627 176.300 0.272 0.000 1.063 302 M CA 1.397 56.829 55.300 0.220 0.000 1.119 302 M CB -0.317 32.410 32.600 0.211 0.000 1.377 302 M HN 0.344 nan 8.290 nan 0.000 0.415 303 G N 0.105 108.961 108.800 0.093 0.000 2.421 303 G HA2 -0.277 3.684 3.960 0.002 0.000 0.216 303 G HA3 -0.277 3.684 3.960 0.002 0.000 0.216 303 G C 1.071 176.125 174.900 0.256 0.000 1.171 303 G CA 1.395 46.427 45.100 -0.114 0.000 0.775 303 G HN 0.389 nan 8.290 nan 0.000 0.543 304 D N 0.685 121.242 120.400 0.263 0.000 2.116 304 D HA -0.164 4.477 4.640 0.002 0.000 0.193 304 D C 2.051 178.532 176.300 0.301 0.000 0.998 304 D CA 1.505 55.672 54.000 0.277 0.000 0.836 304 D CB -0.402 40.606 40.800 0.347 0.000 0.951 304 D HN 0.254 nan 8.370 nan 0.000 0.449 305 D N -1.150 119.426 120.400 0.293 0.000 2.123 305 D HA -0.210 4.431 4.640 0.002 0.000 0.196 305 D C 2.036 178.522 176.300 0.310 0.000 0.992 305 D CA 0.898 55.062 54.000 0.274 0.000 0.833 305 D CB -0.656 40.310 40.800 0.277 0.000 0.954 305 D HN 0.341 nan 8.370 nan 0.000 0.455 306 F N -0.711 119.405 119.950 0.276 0.000 2.102 306 F HA -0.128 4.400 4.527 0.002 0.000 0.298 306 F C 1.997 177.742 175.800 -0.091 0.000 1.105 306 F CA 1.248 59.355 58.000 0.178 0.000 1.239 306 F CB -0.232 38.852 39.000 0.140 0.000 0.991 306 F HN -0.071 nan 8.300 nan 0.000 0.474 307 F N 0.335 120.429 119.950 0.239 0.000 2.102 307 F HA -0.240 4.288 4.527 0.002 0.000 0.298 307 F C 2.854 178.640 175.800 -0.023 0.000 1.105 307 F CA 1.938 59.968 58.000 0.050 0.000 1.239 307 F CB -1.343 37.627 39.000 -0.050 0.000 0.991 307 F HN 0.010 nan 8.300 nan 0.000 0.474 308 T N -2.761 111.893 114.554 0.167 0.000 2.915 308 T HA -0.170 4.182 4.350 0.002 0.000 0.269 308 T C 2.099 176.763 174.700 -0.059 0.000 1.071 308 T CA 1.126 63.256 62.100 0.050 0.000 1.132 308 T CB -0.918 67.986 68.868 0.060 0.000 0.878 308 T HN 0.321 nan 8.240 nan 0.000 0.479 309 S N 1.540 117.136 115.700 -0.173 0.000 2.447 309 S HA 0.039 4.511 4.470 0.002 0.000 0.233 309 S C 1.824 176.216 174.600 -0.347 0.000 1.006 309 S CA 0.608 58.561 58.200 -0.413 0.000 0.957 309 S CB -0.788 61.767 63.200 -1.075 0.000 0.773 309 S HN 0.569 nan 8.310 nan 0.000 0.507 310 M N 1.199 120.669 119.600 -0.217 0.000 2.505 310 M HA 0.296 4.777 4.480 0.002 0.000 0.230 310 M C 0.551 176.817 176.300 -0.057 0.000 1.153 310 M CA -0.011 55.216 55.300 -0.120 0.000 0.997 310 M CB -0.411 32.158 32.600 -0.051 0.000 1.606 310 M HN 0.336 nan 8.290 nan 0.000 0.481 311 N N 0.934 119.594 118.700 -0.067 0.000 2.776 311 N HA -0.154 4.588 4.740 0.002 0.000 0.250 311 N C -1.018 174.473 175.510 -0.032 0.000 1.112 311 N CA 0.604 53.623 53.050 -0.052 0.000 0.733 311 N CB -1.170 37.280 38.487 -0.061 0.000 1.097 311 N HN 0.399 nan 8.380 nan 0.000 0.558 312 L N -0.833 120.396 121.223 0.010 0.000 2.440 312 L HA 0.470 4.811 4.340 0.002 0.000 0.262 312 L C 0.942 177.821 176.870 0.016 0.000 1.072 312 L CA -0.796 54.066 54.840 0.036 0.000 0.798 312 L CB 0.651 42.782 42.059 0.121 0.000 1.307 312 L HN -0.005 nan 8.230 nan 0.000 0.475 313 T N 0.812 115.357 114.554 -0.014 0.000 2.851 313 T HA 0.098 4.449 4.350 0.002 0.000 0.298 313 T C 0.010 174.674 174.700 -0.059 0.000 0.977 313 T CA -0.345 61.728 62.100 -0.043 0.000 1.126 313 T CB 0.658 69.492 68.868 -0.057 0.000 0.916 313 T HN 0.361 nan 8.240 nan 0.000 0.529 314 K N 3.532 123.919 120.400 -0.021 0.000 2.355 314 K HA 0.175 4.496 4.320 0.002 0.000 0.270 314 K C -0.231 176.341 176.600 -0.048 0.000 1.003 314 K CA -0.517 55.773 56.287 0.005 0.000 0.957 314 K CB 0.324 32.856 32.500 0.053 0.000 0.939 314 K HN 0.516 nan 8.250 nan 0.000 0.482 315 L N 6.431 127.607 121.223 -0.078 0.000 2.455 315 L HA 0.132 4.473 4.340 0.002 0.000 0.272 315 L C -1.623 175.231 176.870 -0.027 0.000 1.174 315 L CA -1.582 53.111 54.840 -0.244 0.000 0.869 315 L CB 0.344 42.021 42.059 -0.637 0.000 1.130 315 L HN 0.693 nan 8.230 nan 0.000 0.474 316 P HA 0.046 nan 4.420 nan 0.000 0.276 316 P C -0.168 177.220 177.300 0.148 0.000 1.261 316 P CA -0.521 62.618 63.100 0.064 0.000 0.800 316 P CB 0.932 32.650 31.700 0.030 0.000 1.066 317 Q N 0.495 120.404 119.800 0.181 0.000 2.124 317 Q HA -0.175 4.167 4.340 0.002 0.000 0.202 317 Q C 1.370 177.462 176.000 0.153 0.000 0.977 317 Q CA 1.940 57.886 55.803 0.238 0.000 0.850 317 Q CB -1.022 27.803 28.738 0.145 0.000 0.901 317 Q HN 0.349 nan 8.270 nan 0.000 0.429 318 D N -0.901 119.532 120.400 0.055 0.000 2.149 318 D HA -0.172 4.469 4.640 0.002 0.000 0.198 318 D C 1.418 177.674 176.300 -0.074 0.000 0.990 318 D CA 0.881 54.860 54.000 -0.035 0.000 0.839 318 D CB -0.334 40.421 40.800 -0.075 0.000 0.948 318 D HN 0.307 nan 8.370 nan 0.000 0.460 319 F N -0.258 119.569 119.950 -0.206 0.000 2.069 319 F HA -0.200 4.328 4.527 0.003 0.000 0.298 319 F C 1.934 177.547 175.800 -0.312 0.000 1.113 319 F CA 1.665 59.461 58.000 -0.340 0.000 1.214 319 F CB -0.545 38.134 39.000 -0.535 0.000 0.978 319 F HN 0.015 nan 8.300 nan 0.000 0.474 320 W N 0.717 122.058 121.300 0.067 0.000 2.388 320 W HA -0.148 4.513 4.660 0.002 0.000 0.294 320 W C 2.240 178.679 176.519 -0.133 0.000 1.212 320 W CA 0.762 58.085 57.345 -0.037 0.000 1.271 320 W CB -0.535 28.968 29.460 0.072 0.000 1.126 320 W HN -0.033 nan 8.180 nan 0.000 0.535 321 D N 0.011 120.465 120.400 0.090 0.000 2.183 321 D HA -0.100 4.541 4.640 0.002 0.000 0.203 321 D C 1.643 177.887 176.300 -0.093 0.000 0.969 321 D CA 1.364 55.364 54.000 -0.000 0.000 0.842 321 D CB -0.228 40.564 40.800 -0.014 0.000 0.957 321 D HN 0.257 nan 8.370 nan 0.000 0.484 322 K N -0.236 120.045 120.400 -0.199 0.000 2.399 322 K HA 0.188 4.509 4.320 0.002 0.000 0.196 322 K C 0.645 177.092 176.600 -0.255 0.000 1.103 322 K CA -0.091 56.035 56.287 -0.269 0.000 0.986 322 K CB 0.845 33.080 32.500 -0.441 0.000 0.952 322 K HN -0.144 nan 8.250 nan 0.000 0.541 323 S N 1.318 116.789 115.700 -0.382 0.000 2.579 323 S HA 0.187 4.658 4.470 0.002 0.000 0.275 323 S C 0.182 174.705 174.600 -0.128 0.000 1.345 323 S CA -0.067 57.922 58.200 -0.351 0.000 1.031 323 S CB 0.542 63.177 63.200 -0.943 0.000 0.892 323 S HN 0.113 nan 8.310 nan 0.000 0.529 324 I N 2.927 123.495 120.570 -0.003 0.000 2.354 324 I HA 0.294 4.466 4.170 0.002 0.000 0.286 324 I C 0.681 176.741 176.117 -0.095 0.000 1.007 324 I CA -0.137 61.135 61.300 -0.046 0.000 1.167 324 I CB 0.943 38.907 38.000 -0.059 0.000 1.320 324 I HN 0.661 nan 8.210 nan 0.000 0.458 325 I N 1.300 121.799 120.570 -0.117 0.000 4.154 325 I HA 0.474 4.646 4.170 0.002 0.000 0.334 325 I C 0.037 176.185 176.117 0.052 0.000 1.371 325 I CA -0.030 61.209 61.300 -0.101 0.000 1.110 325 I CB 0.291 38.087 38.000 -0.341 0.000 1.085 325 I HN 0.408 nan 8.210 nan 0.000 0.398 326 E N 2.036 122.252 120.200 0.027 0.000 2.340 326 E HA 0.358 4.710 4.350 0.002 0.000 0.273 326 E C -1.179 175.432 176.600 0.019 0.000 0.891 326 E CA -1.009 55.418 56.400 0.045 0.000 0.757 326 E CB 2.755 32.480 29.700 0.043 0.000 1.231 326 E HN 0.090 nan 8.360 nan 0.000 0.439 327 K N 2.851 123.266 120.400 0.024 0.000 2.447 327 K HA 0.125 4.446 4.320 0.002 0.000 0.281 327 K C -2.263 174.336 176.600 -0.001 0.000 1.031 327 K CA -1.143 55.148 56.287 0.007 0.000 1.019 327 K CB 0.194 32.703 32.500 0.014 0.000 0.918 327 K HN 0.111 nan 8.250 nan 0.000 0.476 328 P HA -0.042 nan 4.420 nan 0.000 0.267 328 P C -0.015 177.280 177.300 -0.008 0.000 1.200 328 P CA -0.004 63.085 63.100 -0.018 0.000 0.772 328 P CB 0.743 32.422 31.700 -0.034 0.000 0.855 329 T N -2.905 111.647 114.554 -0.004 0.000 3.069 329 T HA 0.081 4.432 4.350 0.002 0.000 0.252 329 T C 0.392 175.092 174.700 -0.000 0.000 1.053 329 T CA -0.319 61.781 62.100 0.001 0.000 0.964 329 T CB -0.572 68.299 68.868 0.005 0.000 1.005 329 T HN 0.397 nan 8.240 nan 0.000 0.532 330 D N 1.388 121.785 120.400 -0.005 0.000 2.414 330 D HA 0.373 5.014 4.640 0.002 0.000 0.259 330 D C 1.571 177.869 176.300 -0.004 0.000 1.269 330 D CA -0.368 53.630 54.000 -0.004 0.000 1.028 330 D CB -0.152 40.643 40.800 -0.008 0.000 1.093 330 D HN 0.051 nan 8.370 nan 0.000 0.545 331 G N -1.600 107.198 108.800 -0.003 0.000 2.848 331 G HA2 -0.098 3.863 3.960 0.002 0.000 0.208 331 G HA3 -0.098 3.863 3.960 0.002 0.000 0.208 331 G C 0.634 175.531 174.900 -0.005 0.000 1.152 331 G CA -0.205 44.895 45.100 -0.000 0.000 0.789 331 G HN 0.589 nan 8.290 nan 0.000 0.531 332 R N 0.679 121.170 120.500 -0.013 0.000 2.594 332 R HA 0.161 4.502 4.340 0.002 0.000 0.272 332 R C -1.353 174.929 176.300 -0.029 0.000 1.074 332 R CA -0.327 55.759 56.100 -0.023 0.000 1.105 332 R CB 0.668 30.947 30.300 -0.036 0.000 1.008 332 R HN -0.109 nan 8.270 nan 0.000 0.472 333 D N 3.053 123.432 120.400 -0.035 0.000 2.302 333 D HA 0.371 5.012 4.640 0.002 0.000 0.248 333 D C 0.161 176.410 176.300 -0.085 0.000 1.094 333 D CA -0.123 53.852 54.000 -0.042 0.000 0.897 333 D CB 1.438 42.220 40.800 -0.030 0.000 1.200 333 D HN 0.533 nan 8.370 nan 0.000 0.429 334 L N -2.242 118.934 121.223 -0.078 0.000 2.720 334 L HA 0.550 4.891 4.340 0.002 0.000 0.261 334 L C -1.314 175.523 176.870 -0.055 0.000 1.046 334 L CA -1.114 53.654 54.840 -0.120 0.000 0.886 334 L CB 1.522 43.504 42.059 -0.129 0.000 1.493 334 L HN -0.022 nan 8.230 nan 0.000 0.407 335 V N 0.909 120.789 119.914 -0.057 0.000 2.372 335 V HA 0.106 4.227 4.120 0.002 0.000 0.261 335 V C 0.828 176.945 176.094 0.038 0.000 1.055 335 V CA -0.085 62.247 62.300 0.055 0.000 0.930 335 V CB 0.579 32.471 31.823 0.115 0.000 1.031 335 V HN 0.985 nan 8.190 nan 0.000 0.479 336 c N 3.281 121.922 118.600 0.068 0.000 2.495 336 c HA 0.051 4.622 4.570 0.002 0.000 0.275 336 c C 1.482 175.593 174.090 0.035 0.000 1.392 336 c CA -0.024 56.333 56.329 0.046 0.000 1.766 336 c CB -1.199 41.341 42.510 0.050 0.000 1.933 336 c HN 0.949 nan 8.230 nan 0.000 0.519 337 H N 1.015 120.029 119.070 -0.093 0.000 3.187 337 H HA 0.334 4.891 4.556 0.002 0.000 0.286 337 H C 0.626 175.863 175.328 -0.153 0.000 0.944 337 H CA 0.480 56.370 56.048 -0.264 0.000 1.429 337 H CB 0.386 29.605 29.762 -0.904 0.000 1.483 337 H HN 0.474 nan 8.280 nan 0.000 0.555 338 A N 4.499 127.167 122.820 -0.253 0.000 2.498 338 A HA 0.413 4.734 4.320 0.002 0.000 0.239 338 A C -0.094 177.586 177.584 0.160 0.000 1.068 338 A CA 0.438 52.484 52.037 0.015 0.000 0.766 338 A CB -0.003 19.017 19.000 0.033 0.000 1.003 338 A HN 0.891 nan 8.150 nan 0.000 0.497 339 S N -0.018 115.864 115.700 0.303 0.000 2.565 339 S HA 0.780 5.251 4.470 0.002 0.000 0.269 339 S C -0.676 174.209 174.600 0.475 0.000 1.153 339 S CA -0.189 58.208 58.200 0.329 0.000 0.835 339 S CB 1.313 64.685 63.200 0.288 0.000 1.122 339 S HN 2.147 nan 8.310 nan 0.000 0.462 340 A N 0.722 123.733 122.820 0.318 0.000 2.350 340 A HA 0.822 5.143 4.320 0.002 0.000 0.324 340 A C -1.771 176.054 177.584 0.402 0.000 1.118 340 A CA -0.735 51.597 52.037 0.491 0.000 0.783 340 A CB 0.582 19.811 19.000 0.382 0.000 1.236 340 A HN 0.766 nan 8.150 nan 0.000 0.457 341 W N 0.813 122.357 121.300 0.406 0.000 2.781 341 W HA 0.488 5.150 4.660 0.003 0.000 0.333 341 W C -0.835 175.493 176.519 -0.317 0.000 1.047 341 W CA -0.225 57.134 57.345 0.023 0.000 1.236 341 W CB 1.908 31.414 29.460 0.076 0.000 1.394 341 W HN 0.651 nan 8.180 nan 0.000 0.466 342 D N 1.983 121.876 120.400 -0.845 0.000 2.303 342 D HA 0.296 4.938 4.640 0.002 0.000 0.236 342 D C -0.241 175.515 176.300 -0.907 0.000 1.068 342 D CA -0.497 52.803 54.000 -1.168 0.000 0.830 342 D CB 0.942 40.514 40.800 -2.046 0.000 1.109 342 D HN 0.233 nan 8.370 nan 0.000 0.496 343 F N 2.303 122.015 119.950 -0.396 0.000 2.727 343 F HA 0.152 4.680 4.527 0.002 0.000 0.302 343 F C 0.445 176.254 175.800 0.015 0.000 1.097 343 F CA -0.314 57.609 58.000 -0.128 0.000 1.330 343 F CB -0.155 38.787 39.000 -0.097 0.000 1.084 343 F HN 0.441 nan 8.300 nan 0.000 0.578 344 Y N -1.384 118.973 120.300 0.096 0.000 4.490 344 Y HA -0.291 4.261 4.550 0.002 0.000 0.233 344 Y C 0.733 176.697 175.900 0.106 0.000 1.101 344 Y CA -0.247 57.922 58.100 0.115 0.000 2.010 344 Y CB -2.089 36.469 38.460 0.164 0.000 1.622 344 Y HN 0.040 nan 8.280 nan 0.000 0.675 345 L N -1.491 119.837 121.223 0.176 0.000 2.665 345 L HA 0.545 4.886 4.340 0.002 0.000 0.201 345 L C 0.746 177.678 176.870 0.103 0.000 1.805 345 L CA -0.454 54.459 54.840 0.122 0.000 3.015 345 L CB 0.338 42.446 42.059 0.080 0.000 2.866 345 L HN -0.102 nan 8.230 nan 0.000 0.765 346 T N 0.002 114.598 114.554 0.071 0.000 2.809 346 T HA 0.261 4.612 4.350 0.002 0.000 0.284 346 T C -0.827 173.900 174.700 0.045 0.000 0.992 346 T CA -0.346 61.794 62.100 0.067 0.000 0.957 346 T CB 1.283 70.186 68.868 0.059 0.000 0.942 346 T HN 0.508 nan 8.240 nan 0.000 0.439 347 D N 0.995 121.425 120.400 0.050 0.000 3.046 347 D HA -0.131 4.510 4.640 0.002 0.000 0.210 347 D C -0.087 176.226 176.300 0.021 0.000 1.124 347 D CA 1.124 55.145 54.000 0.035 0.000 0.986 347 D CB -0.537 40.280 40.800 0.028 0.000 1.118 347 D HN 0.590 nan 8.370 nan 0.000 0.416 348 D N 0.704 121.115 120.400 0.018 0.000 2.494 348 D HA 0.322 4.963 4.640 0.002 0.000 0.217 348 D C -0.280 176.070 176.300 0.084 0.000 1.153 348 D CA -0.333 53.650 54.000 -0.029 0.000 0.954 348 D CB 0.238 40.983 40.800 -0.093 0.000 1.034 348 D HN 0.099 nan 8.370 nan 0.000 0.518 349 V N 1.020 120.999 119.914 0.109 0.000 2.876 349 V HA 0.781 4.902 4.120 0.002 0.000 0.312 349 V C -0.398 175.860 176.094 0.272 0.000 1.085 349 V CA -0.989 61.467 62.300 0.261 0.000 0.945 349 V CB 2.168 34.171 31.823 0.301 0.000 1.017 349 V HN 0.266 nan 8.190 nan 0.000 0.428 350 R N 2.787 123.502 120.500 0.358 0.000 2.707 350 R HA 0.766 5.107 4.340 0.002 0.000 0.272 350 R C -1.602 174.944 176.300 0.411 0.000 1.011 350 R CA -0.741 55.430 56.100 0.119 0.000 0.893 350 R CB 2.786 32.877 30.300 -0.349 0.000 1.233 350 R HN 0.772 nan 8.270 nan 0.000 0.464 351 I N 1.161 121.860 120.570 0.216 0.000 2.569 351 I HA 0.358 4.529 4.170 0.002 0.000 0.296 351 I C -0.631 175.683 176.117 0.328 0.000 1.028 351 I CA -0.726 60.822 61.300 0.414 0.000 1.082 351 I CB 2.212 40.485 38.000 0.455 0.000 1.264 351 I HN 0.348 nan 8.210 nan 0.000 0.429 352 K N 6.134 126.769 120.400 0.393 0.000 2.449 352 K HA 0.453 4.774 4.320 0.002 0.000 0.257 352 K C -1.177 175.528 176.600 0.175 0.000 0.989 352 K CA -0.464 55.915 56.287 0.153 0.000 0.916 352 K CB 1.125 33.564 32.500 -0.102 0.000 1.136 352 K HN 0.599 nan 8.250 nan 0.000 0.439 353 Q N 4.072 123.958 119.800 0.143 0.000 2.271 353 Q HA 0.288 4.629 4.340 0.002 0.000 0.268 353 Q C -1.410 174.665 176.000 0.126 0.000 1.021 353 Q CA -0.813 55.097 55.803 0.178 0.000 0.802 353 Q CB 1.604 30.549 28.738 0.345 0.000 1.282 353 Q HN 0.763 nan 8.270 nan 0.000 0.431 354 c N 4.015 122.666 118.600 0.085 0.000 2.756 354 c HA 0.246 4.817 4.570 0.002 0.000 0.504 354 c C 0.300 174.445 174.090 0.091 0.000 1.028 354 c CA -0.349 56.021 56.329 0.067 0.000 1.167 354 c CB -1.860 40.673 42.510 0.039 0.000 1.444 354 c HN 0.613 nan 8.230 nan 0.000 0.577 355 T N 2.997 117.636 114.554 0.142 0.000 2.916 355 T HA 0.223 4.574 4.350 0.002 0.000 0.303 355 T C 0.421 175.191 174.700 0.115 0.000 1.025 355 T CA 0.281 62.483 62.100 0.169 0.000 1.142 355 T CB 0.639 69.688 68.868 0.301 0.000 0.947 355 T HN 0.609 nan 8.240 nan 0.000 0.544 356 R N 1.231 121.782 120.500 0.085 0.000 2.832 356 R HA 0.549 4.890 4.340 0.002 0.000 0.271 356 R C -0.772 175.561 176.300 0.055 0.000 0.996 356 R CA -0.974 55.162 56.100 0.060 0.000 0.977 356 R CB 1.569 31.889 30.300 0.033 0.000 1.168 356 R HN 0.361 nan 8.270 nan 0.000 0.482 357 V N 2.292 122.234 119.914 0.048 0.000 2.153 357 V HA 0.149 4.271 4.120 0.002 0.000 0.250 357 V C 0.132 176.214 176.094 -0.021 0.000 1.334 357 V CA -0.089 62.236 62.300 0.041 0.000 1.249 357 V CB -0.492 31.372 31.823 0.068 0.000 1.371 357 V HN 0.911 nan 8.190 nan 0.000 0.498 358 T N -0.733 113.791 114.554 -0.050 0.000 2.883 358 T HA 0.362 4.713 4.350 0.002 0.000 0.296 358 T C 0.655 175.242 174.700 -0.188 0.000 1.117 358 T CA -0.493 61.546 62.100 -0.101 0.000 1.006 358 T CB 2.196 71.020 68.868 -0.074 0.000 1.191 358 T HN 0.260 nan 8.240 nan 0.000 0.508 359 Q N 0.246 119.896 119.800 -0.251 0.000 2.061 359 Q HA -0.205 4.136 4.340 0.002 0.000 0.204 359 Q C 1.577 177.133 176.000 -0.740 0.000 0.984 359 Q CA 2.542 58.067 55.803 -0.464 0.000 0.846 359 Q CB -0.408 28.114 28.738 -0.361 0.000 0.902 359 Q HN 0.866 nan 8.270 nan 0.000 0.421 360 D N -0.754 119.406 120.400 -0.400 0.000 2.178 360 D HA -0.176 4.466 4.640 0.002 0.000 0.201 360 D C 1.947 178.159 176.300 -0.147 0.000 0.980 360 D CA 1.008 54.874 54.000 -0.223 0.000 0.842 360 D CB 0.111 40.903 40.800 -0.012 0.000 0.948 360 D HN 0.249 nan 8.370 nan 0.000 0.472 361 Q N -0.350 119.371 119.800 -0.132 0.000 2.167 361 Q HA -0.096 4.245 4.340 0.002 0.000 0.202 361 Q C 2.212 178.174 176.000 -0.063 0.000 0.970 361 Q CA 0.446 56.215 55.803 -0.057 0.000 0.855 361 Q CB -0.288 28.437 28.738 -0.022 0.000 0.911 361 Q HN 0.363 nan 8.270 nan 0.000 0.438 362 L N 0.114 121.244 121.223 -0.155 0.000 2.083 362 L HA -0.149 4.193 4.340 0.002 0.000 0.209 362 L C 1.867 178.806 176.870 0.116 0.000 1.083 362 L CA 1.523 56.325 54.840 -0.062 0.000 0.752 362 L CB -0.481 41.488 42.059 -0.149 0.000 0.899 362 L HN 0.013 nan 8.230 nan 0.000 0.433 363 F N -0.626 119.328 119.950 0.007 0.000 2.146 363 F HA -0.112 4.416 4.527 0.002 0.000 0.298 363 F C 2.539 178.355 175.800 0.027 0.000 1.096 363 F CA 1.405 59.382 58.000 -0.039 0.000 1.275 363 F CB -1.887 37.055 39.000 -0.097 0.000 1.008 363 F HN 0.015 nan 8.300 nan 0.000 0.480 364 T N 0.149 114.818 114.554 0.191 0.000 2.720 364 T HA -0.136 4.215 4.350 0.002 0.000 0.268 364 T C 2.363 177.143 174.700 0.133 0.000 1.037 364 T CA 1.370 63.550 62.100 0.133 0.000 1.144 364 T CB -0.654 68.251 68.868 0.062 0.000 0.864 364 T HN 0.043 nan 8.240 nan 0.000 0.444 365 V N 1.003 120.929 119.914 0.021 0.000 2.287 365 V HA -0.228 3.893 4.120 0.002 0.000 0.248 365 V C 2.259 178.285 176.094 -0.115 0.000 1.053 365 V CA 1.898 64.065 62.300 -0.222 0.000 1.027 365 V CB -0.666 30.819 31.823 -0.564 0.000 0.646 365 V HN 0.557 nan 8.190 nan 0.000 0.447 366 H N -1.351 117.703 119.070 -0.026 0.000 2.389 366 H HA -0.137 4.420 4.556 0.002 0.000 0.299 366 H C 2.235 177.576 175.328 0.021 0.000 1.081 366 H CA 1.852 57.898 56.048 -0.003 0.000 1.345 366 H CB -0.336 29.358 29.762 -0.113 0.000 1.393 366 H HN 0.646 nan 8.280 nan 0.000 0.520 367 H N 0.827 119.940 119.070 0.071 0.000 2.290 367 H HA -0.122 4.436 4.556 0.002 0.000 0.298 367 H C 1.882 177.210 175.328 -0.001 0.000 1.087 367 H CA 1.886 57.932 56.048 -0.002 0.000 1.291 367 H CB 0.264 30.046 29.762 0.033 0.000 1.369 367 H HN 0.215 nan 8.280 nan 0.000 0.492 368 E N 0.467 120.797 120.200 0.216 0.000 2.110 368 E HA -0.127 4.225 4.350 0.002 0.000 0.193 368 E C 2.532 179.201 176.600 0.116 0.000 0.988 368 E CA 0.882 57.452 56.400 0.282 0.000 0.804 368 E CB -0.258 29.676 29.700 0.389 0.000 0.745 368 E HN 0.563 nan 8.360 nan 0.000 0.458 369 L N 0.220 121.460 121.223 0.028 0.000 2.275 369 L HA -0.038 4.303 4.340 0.002 0.000 0.215 369 L C 2.356 178.996 176.870 -0.384 0.000 1.119 369 L CA 0.833 55.573 54.840 -0.165 0.000 0.790 369 L CB -0.517 41.468 42.059 -0.124 0.000 0.919 369 L HN 0.161 nan 8.230 nan 0.000 0.443 370 G N -1.128 107.561 108.800 -0.185 0.000 2.408 370 G HA2 -0.232 3.729 3.960 0.002 0.000 0.217 370 G HA3 -0.232 3.729 3.960 0.002 0.000 0.217 370 G C 1.368 176.033 174.900 -0.391 0.000 1.150 370 G CA 0.336 45.291 45.100 -0.241 0.000 0.776 370 G HN 0.347 nan 8.290 nan 0.000 0.542 371 H N 0.546 119.436 119.070 -0.300 0.000 2.321 371 H HA -0.021 4.536 4.556 0.002 0.000 0.300 371 H C 2.764 177.529 175.328 -0.939 0.000 1.087 371 H CA 1.054 56.850 56.048 -0.420 0.000 1.319 371 H CB -0.158 29.400 29.762 -0.340 0.000 1.379 371 H HN 0.197 nan 8.280 nan 0.000 0.501 372 I N 0.970 121.229 120.570 -0.517 0.000 2.226 372 I HA -0.244 3.927 4.170 0.002 0.000 0.245 372 I C 2.587 178.450 176.117 -0.424 0.000 1.100 372 I CA 1.162 62.220 61.300 -0.403 0.000 1.374 372 I CB -0.939 36.906 38.000 -0.259 0.000 1.057 372 I HN 0.212 nan 8.210 nan 0.000 0.413 373 Q N 0.501 119.960 119.800 -0.568 0.000 2.084 373 Q HA -0.233 4.108 4.340 0.002 0.000 0.202 373 Q C 2.300 178.107 176.000 -0.322 0.000 0.978 373 Q CA 1.755 57.244 55.803 -0.524 0.000 0.844 373 Q CB -0.658 27.618 28.738 -0.770 0.000 0.898 373 Q HN 0.568 nan 8.270 nan 0.000 0.426 374 Y N -0.962 119.027 120.300 -0.519 0.000 2.145 374 Y HA -0.285 4.266 4.550 0.002 0.000 0.286 374 Y C 1.569 176.952 175.900 -0.862 0.000 1.145 374 Y CA 0.793 58.537 58.100 -0.592 0.000 1.148 374 Y CB -0.020 37.985 38.460 -0.759 0.000 0.981 374 Y HN 0.158 nan 8.280 nan 0.000 0.507 375 F N 0.098 119.759 119.950 -0.481 0.000 2.091 375 F HA -0.307 4.221 4.527 0.002 0.000 0.299 375 F C 2.176 177.740 175.800 -0.394 0.000 1.103 375 F CA 1.250 58.913 58.000 -0.562 0.000 1.228 375 F CB -1.367 37.526 39.000 -0.179 0.000 0.984 375 F HN 0.047 nan 8.300 nan 0.000 0.477 376 L N -0.792 120.408 121.223 -0.038 0.000 2.093 376 L HA -0.180 4.161 4.340 0.002 0.000 0.208 376 L C 2.561 179.454 176.870 0.039 0.000 1.085 376 L CA 0.932 55.771 54.840 -0.001 0.000 0.755 376 L CB -0.718 41.310 42.059 -0.051 0.000 0.904 376 L HN 0.120 nan 8.230 nan 0.000 0.435 377 Q N -0.058 119.741 119.800 -0.003 0.000 2.167 377 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 377 Q C 1.595 177.790 176.000 0.325 0.000 0.970 377 Q CA 1.436 57.321 55.803 0.137 0.000 0.855 377 Q CB -0.071 28.734 28.738 0.112 0.000 0.911 377 Q HN 0.736 nan 8.270 nan 0.000 0.438 378 Y N -0.562 119.920 120.300 0.303 0.000 2.555 378 Y HA 0.280 4.831 4.550 0.002 0.000 0.259 378 Y C 1.518 177.498 175.900 0.134 0.000 1.179 378 Y CA -0.386 57.842 58.100 0.214 0.000 1.230 378 Y CB -0.869 37.673 38.460 0.136 0.000 1.146 378 Y HN 0.074 nan 8.280 nan 0.000 0.526 379 Q N 0.713 120.777 119.800 0.441 0.000 2.437 379 Q HA -0.169 4.172 4.340 0.002 0.000 0.210 379 Q C 1.228 177.393 176.000 0.276 0.000 0.972 379 Q CA 1.607 57.613 55.803 0.339 0.000 0.903 379 Q CB -0.801 28.075 28.738 0.229 0.000 0.967 379 Q HN 0.730 nan 8.270 nan 0.000 0.486 380 H N -0.766 118.419 119.070 0.191 0.000 2.551 380 H HA 0.180 4.737 4.556 0.002 0.000 0.266 380 H C 0.143 175.556 175.328 0.141 0.000 0.964 380 H CA -0.118 56.016 56.048 0.144 0.000 1.180 380 H CB 0.018 29.855 29.762 0.125 0.000 1.408 380 H HN 0.152 nan 8.280 nan 0.000 0.563 381 Q N 2.757 122.320 119.800 -0.395 0.000 2.421 381 Q HA 0.194 4.535 4.340 0.002 0.000 0.255 381 Q C -2.032 173.936 176.000 -0.053 0.000 1.013 381 Q CA -1.717 53.947 55.803 -0.231 0.000 0.895 381 Q CB 0.650 29.285 28.738 -0.172 0.000 1.271 381 Q HN 0.335 nan 8.270 nan 0.000 0.460 382 P HA -0.092 nan 4.420 nan 0.000 0.268 382 P C 0.500 177.735 177.300 -0.109 0.000 1.208 382 P CA 0.036 63.078 63.100 -0.098 0.000 0.777 382 P CB 0.337 31.897 31.700 -0.233 0.000 0.875 383 F N 3.693 123.528 119.950 -0.191 0.000 2.085 383 F HA -0.285 4.243 4.527 0.002 0.000 0.299 383 F C 1.870 177.529 175.800 -0.235 0.000 1.096 383 F CA 2.539 60.428 58.000 -0.185 0.000 1.227 383 F CB -0.941 37.924 39.000 -0.224 0.000 0.983 383 F HN 0.120 nan 8.300 nan 0.000 0.482 384 V N -2.209 117.467 119.914 -0.397 0.000 2.720 384 V HA -0.250 3.871 4.120 0.002 0.000 0.256 384 V C 1.633 177.506 176.094 -0.369 0.000 1.082 384 V CA 1.509 63.516 62.300 -0.488 0.000 1.101 384 V CB -1.586 29.992 31.823 -0.407 0.000 0.693 384 V HN 0.420 nan 8.190 nan 0.000 0.479 385 Y N 0.688 120.772 120.300 -0.360 0.000 2.457 385 Y HA 0.426 4.977 4.550 0.002 0.000 0.263 385 Y C 1.663 177.226 175.900 -0.560 0.000 1.164 385 Y CA -0.906 56.974 58.100 -0.366 0.000 1.274 385 Y CB -0.348 37.956 38.460 -0.259 0.000 1.097 385 Y HN 0.273 nan 8.280 nan 0.000 0.523 386 R N 0.536 120.748 120.500 -0.481 0.000 4.138 386 R HA 0.253 4.594 4.340 0.002 0.000 0.206 386 R C 0.060 175.845 176.300 -0.859 0.000 1.667 386 R CA 0.159 55.804 56.100 -0.758 0.000 1.481 386 R CB -0.059 30.158 30.300 -0.137 0.000 1.388 386 R HN -0.004 nan 8.270 nan 0.000 0.776 387 T N -1.487 112.423 114.554 -1.073 0.000 2.718 387 T HA 0.397 4.748 4.350 0.002 0.000 0.306 387 T C -0.332 174.114 174.700 -0.423 0.000 1.485 387 T CA -0.427 61.391 62.100 -0.469 0.000 0.997 387 T CB 1.264 69.973 68.868 -0.266 0.000 1.504 387 T HN 0.430 nan 8.240 nan 0.000 0.497 388 G N 0.423 109.161 108.800 -0.104 0.000 2.594 388 G HA2 0.471 4.432 3.960 0.002 0.000 0.243 388 G HA3 0.471 4.432 3.960 0.002 0.000 0.243 388 G C 1.339 176.170 174.900 -0.116 0.000 1.229 388 G CA 0.210 45.207 45.100 -0.171 0.000 0.843 388 G HN 1.044 nan 8.290 nan 0.000 0.578 389 A N 1.529 124.309 122.820 -0.066 0.000 1.908 389 A HA 0.011 4.332 4.320 0.002 0.000 0.218 389 A C 1.291 178.718 177.584 -0.263 0.000 1.181 389 A CA 2.054 53.931 52.037 -0.267 0.000 0.627 389 A CB -0.558 18.072 19.000 -0.617 0.000 0.818 389 A HN 1.060 nan 8.150 nan 0.000 0.445 390 N N -4.183 114.367 118.700 -0.250 0.000 2.732 390 N HA 0.436 5.177 4.740 0.002 0.000 0.259 390 N C -2.962 172.537 175.510 -0.019 0.000 1.402 390 N CA -1.803 51.136 53.050 -0.186 0.000 0.829 390 N CB 0.577 38.898 38.487 -0.277 0.000 1.495 390 N HN -0.267 nan 8.380 nan 0.000 0.511 391 P HA 0.012 nan 4.420 nan 0.000 0.219 391 P C 1.238 178.616 177.300 0.130 0.000 1.146 391 P CA 1.878 64.948 63.100 -0.049 0.000 0.808 391 P CB -0.083 31.489 31.700 -0.212 0.000 0.779 392 G N -1.697 107.250 108.800 0.244 0.000 2.422 392 G HA2 -0.223 3.738 3.960 0.002 0.000 0.218 392 G HA3 -0.223 3.738 3.960 0.002 0.000 0.218 392 G C 1.305 176.389 174.900 0.306 0.000 1.140 392 G CA 0.164 45.411 45.100 0.245 0.000 0.775 392 G HN 0.207 nan 8.290 nan 0.000 0.545 393 F N -0.064 120.000 119.950 0.191 0.000 2.134 393 F HA -0.071 4.457 4.527 0.002 0.000 0.299 393 F C 2.717 178.723 175.800 0.343 0.000 1.097 393 F CA 1.258 59.437 58.000 0.299 0.000 1.264 393 F CB -0.105 39.104 39.000 0.348 0.000 1.001 393 F HN 0.129 nan 8.300 nan 0.000 0.479 394 H N 0.467 119.845 119.070 0.513 0.000 2.387 394 H HA -0.114 4.444 4.556 0.002 0.000 0.299 394 H C 1.990 177.410 175.328 0.153 0.000 1.090 394 H CA 1.534 57.846 56.048 0.440 0.000 1.332 394 H CB 0.045 29.985 29.762 0.296 0.000 1.386 394 H HN 0.226 nan 8.280 nan 0.000 0.516 395 E N 0.044 120.410 120.200 0.277 0.000 2.285 395 E HA -0.014 4.337 4.350 0.002 0.000 0.194 395 E C 2.225 178.858 176.600 0.056 0.000 0.997 395 E CA 0.652 57.151 56.400 0.164 0.000 0.845 395 E CB -0.118 29.695 29.700 0.188 0.000 0.782 395 E HN 0.438 nan 8.360 nan 0.000 0.491 396 A N 1.015 123.870 122.820 0.059 0.000 1.930 396 A HA -0.057 4.264 4.320 0.002 0.000 0.215 396 A C 2.539 180.087 177.584 -0.059 0.000 1.176 396 A CA 0.787 52.833 52.037 0.015 0.000 0.632 396 A CB -0.491 18.572 19.000 0.105 0.000 0.819 396 A HN 0.100 nan 8.150 nan 0.000 0.445 397 V N 0.262 120.107 119.914 -0.115 0.000 2.220 397 V HA -0.285 3.837 4.120 0.002 0.000 0.250 397 V C 2.825 178.789 176.094 -0.216 0.000 1.056 397 V CA 2.306 64.507 62.300 -0.164 0.000 1.016 397 V CB -1.626 30.030 31.823 -0.279 0.000 0.639 397 V HN 0.568 nan 8.190 nan 0.000 0.446 398 G N -0.793 107.849 108.800 -0.264 0.000 2.432 398 G HA2 -0.232 3.729 3.960 0.002 0.000 0.219 398 G HA3 -0.232 3.729 3.960 0.002 0.000 0.219 398 G C 1.157 175.931 174.900 -0.209 0.000 1.135 398 G CA 1.009 45.990 45.100 -0.197 0.000 0.767 398 G HN 0.541 nan 8.290 nan 0.000 0.550 399 D N 0.048 120.327 120.400 -0.202 0.000 2.178 399 D HA -0.054 4.587 4.640 0.002 0.000 0.202 399 D C 2.692 178.733 176.300 -0.433 0.000 0.974 399 D CA 0.307 54.123 54.000 -0.307 0.000 0.841 399 D CB -0.120 40.478 40.800 -0.335 0.000 0.953 399 D HN 0.202 nan 8.370 nan 0.000 0.478 400 V N 0.829 120.561 119.914 -0.302 0.000 2.343 400 V HA -0.211 3.910 4.120 0.002 0.000 0.247 400 V C 2.468 178.405 176.094 -0.262 0.000 1.051 400 V CA 1.159 63.337 62.300 -0.204 0.000 1.036 400 V CB -0.402 31.502 31.823 0.135 0.000 0.654 400 V HN 0.277 nan 8.190 nan 0.000 0.451 401 L N -0.454 120.518 121.223 -0.418 0.000 2.072 401 L HA -0.103 4.238 4.340 0.002 0.000 0.205 401 L C 2.615 179.030 176.870 -0.758 0.000 1.079 401 L CA 1.583 55.998 54.840 -0.708 0.000 0.752 401 L CB -0.901 40.553 42.059 -1.008 0.000 0.906 401 L HN 0.316 nan 8.230 nan 0.000 0.436 402 S N 0.385 115.711 115.700 -0.623 0.000 2.400 402 S HA -0.136 4.335 4.470 0.002 0.000 0.232 402 S C 2.045 176.193 174.600 -0.754 0.000 1.025 402 S CA 1.105 58.909 58.200 -0.659 0.000 0.993 402 S CB -0.266 62.609 63.200 -0.542 0.000 0.808 402 S HN 0.281 nan 8.310 nan 0.000 0.478 403 L N 1.436 122.225 121.223 -0.725 0.000 2.042 403 L HA -0.163 4.178 4.340 0.002 0.000 0.210 403 L C 2.748 179.339 176.870 -0.465 0.000 1.076 403 L CA 1.605 55.971 54.840 -0.792 0.000 0.749 403 L CB -0.614 40.651 42.059 -1.322 0.000 0.893 403 L HN 0.455 nan 8.230 nan 0.000 0.432 404 S N -1.421 114.138 115.700 -0.234 0.000 2.395 404 S HA -0.092 4.379 4.470 0.002 0.000 0.225 404 S C 1.882 176.415 174.600 -0.111 0.000 1.027 404 S CA 0.765 58.976 58.200 0.019 0.000 0.965 404 S CB -0.583 62.746 63.200 0.215 0.000 0.812 404 S HN 0.149 nan 8.310 nan 0.000 0.482 405 V N 3.248 122.950 119.914 -0.353 0.000 2.469 405 V HA -0.154 3.967 4.120 0.002 0.000 0.251 405 V C 3.081 179.198 176.094 0.038 0.000 1.064 405 V CA 1.982 64.108 62.300 -0.290 0.000 1.066 405 V CB -1.172 30.379 31.823 -0.453 0.000 0.667 405 V HN 0.837 nan 8.190 nan 0.000 0.461 406 S N 0.085 115.741 115.700 -0.074 0.000 2.489 406 S HA -0.064 4.407 4.470 0.002 0.000 0.228 406 S C 1.197 175.819 174.600 0.037 0.000 0.995 406 S CA 0.629 58.847 58.200 0.031 0.000 0.934 406 S CB -0.902 62.102 63.200 -0.327 0.000 0.771 406 S HN 0.741 nan 8.310 nan 0.000 0.522 407 T N 0.012 114.583 114.554 0.029 0.000 2.926 407 T HA 0.301 4.652 4.350 0.002 0.000 0.307 407 T C -1.853 172.848 174.700 0.003 0.000 1.059 407 T CA -1.283 60.841 62.100 0.040 0.000 1.122 407 T CB 0.621 69.543 68.868 0.089 0.000 0.972 407 T HN -0.048 nan 8.240 nan 0.000 0.545 408 P HA -0.102 nan 4.420 nan 0.000 0.216 408 P C 1.581 178.822 177.300 -0.099 0.000 1.150 408 P CA 1.053 64.005 63.100 -0.247 0.000 0.843 408 P CB 0.075 31.542 31.700 -0.388 0.000 0.787 409 K N -0.916 119.484 120.400 0.001 0.000 2.020 409 K HA -0.275 4.046 4.320 0.002 0.000 0.212 409 K C 2.200 178.825 176.600 0.042 0.000 1.050 409 K CA 1.857 58.167 56.287 0.039 0.000 0.929 409 K CB -0.574 31.971 32.500 0.077 0.000 0.714 409 K HN 0.138 nan 8.250 nan 0.000 0.443 410 H N 0.043 119.113 119.070 0.000 0.000 2.363 410 H HA 0.024 4.582 4.556 0.002 0.000 0.301 410 H C 1.906 177.215 175.328 -0.032 0.000 1.074 410 H CA 1.739 57.786 56.048 -0.002 0.000 1.354 410 H CB -0.004 29.799 29.762 0.069 0.000 1.397 410 H HN 0.146 nan 8.280 nan 0.000 0.516 411 L N 0.149 121.379 121.223 0.010 0.000 2.201 411 L HA -0.113 4.228 4.340 0.002 0.000 0.212 411 L C 2.282 179.086 176.870 -0.110 0.000 1.105 411 L CA 1.211 56.020 54.840 -0.051 0.000 0.775 411 L CB -0.269 41.767 42.059 -0.039 0.000 0.913 411 L HN 0.430 nan 8.230 nan 0.000 0.440 412 E N 0.255 120.389 120.200 -0.111 0.000 2.072 412 E HA -0.207 4.145 4.350 0.002 0.000 0.191 412 E C 2.125 178.660 176.600 -0.109 0.000 0.985 412 E CA 0.931 57.279 56.400 -0.087 0.000 0.801 412 E CB 0.037 29.707 29.700 -0.050 0.000 0.750 412 E HN 0.447 nan 8.360 nan 0.000 0.452 413 K N 0.770 121.067 120.400 -0.171 0.000 2.103 413 K HA -0.132 4.189 4.320 0.002 0.000 0.207 413 K C 2.133 178.595 176.600 -0.231 0.000 1.048 413 K CA 1.329 57.485 56.287 -0.218 0.000 0.930 413 K CB -0.223 32.081 32.500 -0.326 0.000 0.716 413 K HN 0.310 nan 8.250 nan 0.000 0.444 414 I N -3.358 117.055 120.570 -0.262 0.000 3.875 414 I HA 0.294 4.465 4.170 0.002 0.000 0.329 414 I C 0.696 176.781 176.117 -0.052 0.000 1.295 414 I CA 0.176 61.380 61.300 -0.161 0.000 1.129 414 I CB 0.115 38.025 38.000 -0.150 0.000 1.008 414 I HN 0.168 nan 8.210 nan 0.000 0.413 415 G N 2.146 110.908 108.800 -0.064 0.000 2.153 415 G HA2 -0.274 3.688 3.960 0.002 0.000 0.252 415 G HA3 -0.274 3.688 3.960 0.002 0.000 0.252 415 G C 0.614 175.497 174.900 -0.028 0.000 0.994 415 G CA 0.644 45.726 45.100 -0.030 0.000 0.698 415 G HN 0.503 nan 8.290 nan 0.000 0.521 416 L N -1.424 119.768 121.223 -0.051 0.000 2.375 416 L HA 0.391 4.732 4.340 0.002 0.000 0.215 416 L C 1.044 177.870 176.870 -0.073 0.000 1.108 416 L CA 0.269 55.060 54.840 -0.082 0.000 0.830 416 L CB 0.200 42.191 42.059 -0.113 0.000 0.959 416 L HN 0.289 nan 8.230 nan 0.000 0.457 417 L N 0.820 122.004 121.223 -0.065 0.000 2.319 417 L HA 0.396 4.737 4.340 0.002 0.000 0.281 417 L C -0.691 176.173 176.870 -0.011 0.000 1.005 417 L CA -0.145 54.661 54.840 -0.057 0.000 0.828 417 L CB 1.093 43.069 42.059 -0.139 0.000 1.227 417 L HN -0.098 nan 8.230 nan 0.000 0.415 418 K N 4.127 124.542 120.400 0.026 0.000 2.259 418 K HA 0.463 4.785 4.320 0.002 0.000 0.252 418 K C -0.828 175.821 176.600 0.082 0.000 0.936 418 K CA -0.824 55.489 56.287 0.043 0.000 0.810 418 K CB 1.487 34.001 32.500 0.023 0.000 1.143 418 K HN 0.591 nan 8.250 nan 0.000 0.427 419 D N 1.294 121.740 120.400 0.076 0.000 2.699 419 D HA -0.247 4.395 4.640 0.002 0.000 0.239 419 D C -1.016 175.345 176.300 0.101 0.000 1.136 419 D CA 1.072 55.113 54.000 0.068 0.000 0.668 419 D CB -1.192 39.632 40.800 0.039 0.000 1.060 419 D HN 0.457 nan 8.370 nan 0.000 0.429 420 Y N 0.131 120.428 120.300 -0.004 0.000 2.341 420 Y HA 0.405 4.956 4.550 0.002 0.000 0.340 420 Y C -0.246 175.649 175.900 -0.007 0.000 0.997 420 Y CA -0.653 57.445 58.100 -0.003 0.000 1.149 420 Y CB 1.063 39.524 38.460 0.002 0.000 1.171 420 Y HN -0.122 nan 8.280 nan 0.000 0.494 421 V N 8.123 127.780 119.914 -0.429 0.000 2.347 421 V HA 0.340 4.461 4.120 0.002 0.000 0.280 421 V C 0.159 175.934 176.094 -0.532 0.000 1.021 421 V CA -0.862 61.240 62.300 -0.330 0.000 0.847 421 V CB 1.177 32.874 31.823 -0.210 0.000 0.990 421 V HN 0.707 nan 8.190 nan 0.000 0.444 422 R N 3.790 124.123 120.500 -0.279 0.000 4.138 422 R HA 0.165 4.507 4.340 0.002 0.000 0.206 422 R C -0.127 176.099 176.300 -0.123 0.000 1.667 422 R CA -0.446 55.557 56.100 -0.162 0.000 1.481 422 R CB -0.240 30.131 30.300 0.119 0.000 1.388 422 R HN 0.927 nan 8.270 nan 0.000 0.776 423 D N -0.375 119.914 120.400 -0.186 0.000 2.447 423 D HA 0.014 4.655 4.640 0.002 0.000 0.265 423 D C 0.485 176.690 176.300 -0.158 0.000 1.250 423 D CA -0.519 53.389 54.000 -0.153 0.000 1.046 423 D CB 0.593 41.291 40.800 -0.172 0.000 1.095 423 D HN -0.006 nan 8.370 nan 0.000 0.555 424 D N -0.664 119.637 120.400 -0.165 0.000 2.149 424 D HA -0.147 4.494 4.640 0.002 0.000 0.198 424 D C 1.637 177.763 176.300 -0.291 0.000 0.990 424 D CA 1.223 55.117 54.000 -0.176 0.000 0.839 424 D CB -0.056 40.656 40.800 -0.145 0.000 0.948 424 D HN 0.571 nan 8.370 nan 0.000 0.460 425 E N 0.398 120.325 120.200 -0.454 0.000 2.072 425 E HA -0.029 4.322 4.350 0.002 0.000 0.190 425 E C 2.126 178.523 176.600 -0.338 0.000 0.982 425 E CA 0.777 56.708 56.400 -0.781 0.000 0.803 425 E CB -0.015 28.977 29.700 -1.179 0.000 0.755 425 E HN 0.175 nan 8.360 nan 0.000 0.453 426 A N 1.710 124.390 122.820 -0.233 0.000 1.933 426 A HA -0.201 4.120 4.320 0.002 0.000 0.218 426 A C 2.104 179.692 177.584 0.007 0.000 1.175 426 A CA 1.294 53.268 52.037 -0.105 0.000 0.628 426 A CB -0.426 18.420 19.000 -0.257 0.000 0.814 426 A HN 0.057 nan 8.150 nan 0.000 0.444 427 R N -0.344 120.132 120.500 -0.040 0.000 2.081 427 R HA -0.106 4.235 4.340 0.002 0.000 0.235 427 R C 1.848 178.145 176.300 -0.006 0.000 1.131 427 R CA 1.622 57.723 56.100 0.002 0.000 0.960 427 R CB -0.294 29.988 30.300 -0.031 0.000 0.856 427 R HN 0.446 nan 8.270 nan 0.000 0.436 428 I N 1.830 122.347 120.570 -0.089 0.000 2.226 428 I HA -0.265 3.906 4.170 0.002 0.000 0.245 428 I C 1.803 177.905 176.117 -0.025 0.000 1.100 428 I CA 1.292 62.500 61.300 -0.152 0.000 1.374 428 I CB -1.499 36.212 38.000 -0.482 0.000 1.057 428 I HN 0.218 nan 8.210 nan 0.000 0.413 429 N N 0.881 119.610 118.700 0.047 0.000 2.061 429 N HA -0.256 4.485 4.740 0.002 0.000 0.193 429 N C 1.855 177.490 175.510 0.208 0.000 1.030 429 N CA 1.427 54.559 53.050 0.138 0.000 0.856 429 N CB -0.404 38.176 38.487 0.154 0.000 1.023 429 N HN 0.411 nan 8.380 nan 0.000 0.424 430 Q N 0.609 120.517 119.800 0.180 0.000 2.083 430 Q HA 0.092 4.433 4.340 0.002 0.000 0.198 430 Q C 2.041 178.169 176.000 0.212 0.000 0.969 430 Q CA 1.067 56.981 55.803 0.186 0.000 0.838 430 Q CB -0.380 28.455 28.738 0.162 0.000 0.900 430 Q HN 0.381 nan 8.270 nan 0.000 0.436 431 L N -0.578 120.768 121.223 0.205 0.000 2.046 431 L HA -0.122 4.219 4.340 0.002 0.000 0.208 431 L C 2.198 179.310 176.870 0.404 0.000 1.077 431 L CA 1.318 56.335 54.840 0.295 0.000 0.747 431 L CB -0.470 41.724 42.059 0.225 0.000 0.896 431 L HN 0.278 nan 8.230 nan 0.000 0.432 432 F N 0.039 120.093 119.950 0.174 0.000 2.102 432 F HA -0.278 4.250 4.527 0.002 0.000 0.298 432 F C 2.302 178.210 175.800 0.180 0.000 1.105 432 F CA 1.389 59.484 58.000 0.158 0.000 1.239 432 F CB -0.034 39.021 39.000 0.091 0.000 0.991 432 F HN -0.048 nan 8.300 nan 0.000 0.474 433 L N 0.171 121.578 121.223 0.307 0.000 2.012 433 L HA -0.220 4.121 4.340 0.002 0.000 0.210 433 L C 2.235 179.191 176.870 0.144 0.000 1.073 433 L CA 2.540 57.506 54.840 0.211 0.000 0.748 433 L CB -1.334 40.858 42.059 0.220 0.000 0.891 433 L HN 0.168 nan 8.230 nan 0.000 0.431 434 T N -0.046 114.631 114.554 0.205 0.000 2.708 434 T HA -0.164 4.187 4.350 0.002 0.000 0.266 434 T C 1.910 176.739 174.700 0.214 0.000 1.037 434 T CA 1.435 63.673 62.100 0.230 0.000 1.146 434 T CB -0.645 68.430 68.868 0.344 0.000 0.865 434 T HN 0.542 nan 8.240 nan 0.000 0.435 435 A N 1.271 124.183 122.820 0.153 0.000 1.933 435 A HA 0.038 4.360 4.320 0.002 0.000 0.218 435 A C 2.250 179.664 177.584 -0.285 0.000 1.175 435 A CA 1.070 52.936 52.037 -0.286 0.000 0.628 435 A CB -0.890 17.820 19.000 -0.484 0.000 0.814 435 A HN 0.498 nan 8.150 nan 0.000 0.444 436 L N -0.570 120.497 121.223 -0.259 0.000 2.349 436 L HA -0.180 4.161 4.340 0.002 0.000 0.220 436 L C 2.191 178.989 176.870 -0.120 0.000 1.130 436 L CA 1.459 56.177 54.840 -0.205 0.000 0.791 436 L CB -0.339 41.696 42.059 -0.040 0.000 0.918 436 L HN 0.473 nan 8.230 nan 0.000 0.444 437 D N -0.413 119.969 120.400 -0.030 0.000 2.468 437 D HA -0.091 4.550 4.640 0.002 0.000 0.243 437 D C 2.073 178.458 176.300 0.141 0.000 0.994 437 D CA 0.912 54.940 54.000 0.047 0.000 0.932 437 D CB 0.288 41.122 40.800 0.058 0.000 1.078 437 D HN -0.117 nan 8.370 nan 0.000 0.473 438 K N 0.471 120.958 120.400 0.144 0.000 2.076 438 K HA 0.038 4.359 4.320 0.002 0.000 0.204 438 K C 2.079 178.809 176.600 0.217 0.000 1.051 438 K CA 0.473 56.946 56.287 0.311 0.000 0.949 438 K CB 0.035 32.728 32.500 0.321 0.000 0.726 438 K HN 0.297 nan 8.250 nan 0.000 0.443 439 I N 0.656 121.165 120.570 -0.101 0.000 2.339 439 I HA -0.122 4.049 4.170 0.002 0.000 0.245 439 I C 2.393 178.499 176.117 -0.019 0.000 1.096 439 I CA 0.626 61.848 61.300 -0.130 0.000 1.408 439 I CB -1.116 36.689 38.000 -0.325 0.000 1.092 439 I HN -0.217 nan 8.210 nan 0.000 0.423 440 V N 1.180 121.025 119.914 -0.114 0.000 2.380 440 V HA -0.321 3.800 4.120 0.002 0.000 0.251 440 V C 2.440 178.440 176.094 -0.155 0.000 1.063 440 V CA 1.972 64.123 62.300 -0.247 0.000 1.055 440 V CB -0.838 30.484 31.823 -0.835 0.000 0.657 440 V HN 0.288 nan 8.190 nan 0.000 0.455 441 F N -0.006 119.826 119.950 -0.196 0.000 2.269 441 F HA -0.127 4.401 4.527 0.002 0.000 0.301 441 F C 1.952 177.674 175.800 -0.130 0.000 1.082 441 F CA 1.329 59.215 58.000 -0.189 0.000 1.360 441 F CB -0.160 38.608 39.000 -0.387 0.000 1.041 441 F HN 0.059 nan 8.300 nan 0.000 0.512 442 L N 0.857 122.055 121.223 -0.042 0.000 1.989 442 L HA -0.175 4.166 4.340 0.002 0.000 0.211 442 L C -0.265 176.525 176.870 -0.134 0.000 1.071 442 L CA 1.442 56.256 54.840 -0.044 0.000 0.749 442 L CB -2.434 39.713 42.059 0.147 0.000 0.890 442 L HN 0.087 nan 8.230 nan 0.000 0.431 443 P HA -0.223 nan 4.420 nan 0.000 0.217 443 P C 1.685 178.826 177.300 -0.265 0.000 1.151 443 P CA 1.400 64.410 63.100 -0.150 0.000 0.828 443 P CB -0.151 31.498 31.700 -0.085 0.000 0.788 444 F N 1.853 121.574 119.950 -0.382 0.000 2.065 444 F HA -0.204 4.325 4.527 0.002 0.000 0.298 444 F C 2.316 177.783 175.800 -0.556 0.000 1.112 444 F CA 2.145 59.891 58.000 -0.423 0.000 1.212 444 F CB -1.016 37.740 39.000 -0.405 0.000 0.975 444 F HN -0.074 nan 8.300 nan 0.000 0.476 445 A N 0.057 122.439 122.820 -0.729 0.000 1.933 445 A HA -0.184 4.137 4.320 0.002 0.000 0.218 445 A C 2.186 179.505 177.584 -0.440 0.000 1.175 445 A CA 1.465 53.126 52.037 -0.627 0.000 0.628 445 A CB -1.503 17.137 19.000 -0.600 0.000 0.814 445 A HN 0.508 nan 8.150 nan 0.000 0.444 446 F N 1.953 121.519 119.950 -0.640 0.000 2.134 446 F HA -0.160 4.368 4.527 0.002 0.000 0.299 446 F C 2.870 178.186 175.800 -0.808 0.000 1.097 446 F CA 1.925 59.501 58.000 -0.707 0.000 1.264 446 F CB -1.088 37.374 39.000 -0.898 0.000 1.001 446 F HN 0.422 nan 8.300 nan 0.000 0.479 447 T N -2.434 111.711 114.554 -0.681 0.000 2.915 447 T HA -0.181 4.171 4.350 0.002 0.000 0.269 447 T C 2.025 176.347 174.700 -0.631 0.000 1.071 447 T CA 1.074 62.732 62.100 -0.736 0.000 1.132 447 T CB -0.337 68.126 68.868 -0.674 0.000 0.878 447 T HN 0.059 nan 8.240 nan 0.000 0.479 448 M N 1.850 121.017 119.600 -0.721 0.000 2.117 448 M HA -0.028 4.453 4.480 0.002 0.000 0.262 448 M C 1.563 177.632 176.300 -0.385 0.000 1.065 448 M CA 1.522 56.456 55.300 -0.609 0.000 1.114 448 M CB -1.105 30.924 32.600 -0.952 0.000 1.361 448 M HN 0.262 nan 8.290 nan 0.000 0.408 449 D N -0.398 119.703 120.400 -0.499 0.000 2.240 449 D HA -0.003 4.639 4.640 0.002 0.000 0.206 449 D C 2.003 177.604 176.300 -1.166 0.000 0.963 449 D CA 0.644 54.202 54.000 -0.737 0.000 0.863 449 D CB 0.009 40.339 40.800 -0.783 0.000 0.973 449 D HN 0.268 nan 8.370 nan 0.000 0.501 450 K N -0.133 119.700 120.400 -0.944 0.000 2.063 450 K HA -0.204 4.117 4.320 0.002 0.000 0.208 450 K C 2.004 178.425 176.600 -0.298 0.000 1.048 450 K CA 0.992 56.922 56.287 -0.594 0.000 0.928 450 K CB -0.232 31.880 32.500 -0.647 0.000 0.713 450 K HN 0.162 nan 8.250 nan 0.000 0.442 451 Y N 1.810 121.861 120.300 -0.414 0.000 2.070 451 Y HA -0.230 4.321 4.550 0.002 0.000 0.280 451 Y C 2.117 177.833 175.900 -0.307 0.000 1.148 451 Y CA 1.606 59.532 58.100 -0.290 0.000 1.125 451 Y CB -0.132 38.199 38.460 -0.215 0.000 0.975 451 Y HN -0.083 nan 8.280 nan 0.000 0.492 452 R N -1.269 118.963 120.500 -0.446 0.000 2.092 452 R HA -0.204 4.137 4.340 0.002 0.000 0.231 452 R C 2.092 177.894 176.300 -0.830 0.000 1.119 452 R CA 1.406 57.053 56.100 -0.755 0.000 0.970 452 R CB -0.614 29.403 30.300 -0.471 0.000 0.864 452 R HN 0.411 nan 8.270 nan 0.000 0.440 453 W N 1.013 122.057 121.300 -0.426 0.000 2.338 453 W HA -0.162 4.499 4.660 0.002 0.000 0.304 453 W C 2.652 179.032 176.519 -0.231 0.000 1.212 453 W CA 1.430 58.648 57.345 -0.212 0.000 1.264 453 W CB -1.353 28.084 29.460 -0.038 0.000 1.142 453 W HN 0.185 nan 8.180 nan 0.000 0.512 454 S N 0.010 115.681 115.700 -0.048 0.000 2.399 454 S HA -0.147 4.324 4.470 0.002 0.000 0.231 454 S C 1.954 176.441 174.600 -0.189 0.000 1.022 454 S CA 1.329 59.477 58.200 -0.088 0.000 0.983 454 S CB -0.906 62.239 63.200 -0.090 0.000 0.803 454 S HN 0.252 nan 8.310 nan 0.000 0.480 455 L N -0.435 120.517 121.223 -0.452 0.000 2.044 455 L HA 0.075 4.417 4.340 0.002 0.000 0.205 455 L C 2.602 179.386 176.870 -0.143 0.000 1.075 455 L CA 1.387 55.934 54.840 -0.488 0.000 0.747 455 L CB -0.809 40.659 42.059 -0.985 0.000 0.903 455 L HN 0.283 nan 8.230 nan 0.000 0.435 456 F N 0.482 120.298 119.950 -0.223 0.000 2.126 456 F HA -0.215 4.313 4.527 0.002 0.000 0.299 456 F C 2.597 178.329 175.800 -0.113 0.000 1.096 456 F CA 0.740 58.621 58.000 -0.197 0.000 1.255 456 F CB -0.181 38.678 39.000 -0.236 0.000 0.997 456 F HN 0.013 nan 8.300 nan 0.000 0.479 457 R N 0.174 120.744 120.500 0.118 0.000 2.299 457 R HA 0.072 4.413 4.340 0.002 0.000 0.197 457 R C 1.307 177.644 176.300 0.061 0.000 0.971 457 R CA 0.557 56.697 56.100 0.067 0.000 1.030 457 R CB -0.261 30.071 30.300 0.052 0.000 0.932 457 R HN 0.359 nan 8.270 nan 0.000 0.477 458 G N 1.477 110.323 108.800 0.076 0.000 2.198 458 G HA2 -0.300 3.661 3.960 0.002 0.000 0.257 458 G HA3 -0.300 3.661 3.960 0.002 0.000 0.257 458 G C 0.318 175.277 174.900 0.100 0.000 1.042 458 G CA 0.425 45.587 45.100 0.104 0.000 0.791 458 G HN 0.463 nan 8.290 nan 0.000 0.502 459 E N -1.327 118.921 120.200 0.080 0.000 2.442 459 E HA 0.249 4.600 4.350 0.002 0.000 0.195 459 E C 0.648 177.313 176.600 0.107 0.000 1.030 459 E CA 0.511 56.957 56.400 0.077 0.000 0.869 459 E CB 0.690 30.423 29.700 0.055 0.000 0.857 459 E HN 0.399 nan 8.360 nan 0.000 0.505 460 V N 2.225 122.231 119.914 0.153 0.000 2.487 460 V HA 0.138 4.259 4.120 0.002 0.000 0.298 460 V C -0.386 175.943 176.094 0.392 0.000 1.028 460 V CA -1.093 61.354 62.300 0.246 0.000 0.860 460 V CB 1.863 33.820 31.823 0.223 0.000 0.991 460 V HN -0.001 nan 8.190 nan 0.000 0.427 461 D N 3.217 123.782 120.400 0.276 0.000 2.414 461 D HA 0.125 4.766 4.640 0.002 0.000 0.242 461 D C 1.067 177.422 176.300 0.092 0.000 1.129 461 D CA -0.042 54.062 54.000 0.172 0.000 0.885 461 D CB 1.452 42.307 40.800 0.093 0.000 1.198 461 D HN 0.454 nan 8.370 nan 0.000 0.437 462 K N 1.390 121.626 120.400 -0.274 0.000 2.160 462 K HA -0.194 4.127 4.320 0.002 0.000 0.206 462 K C 1.671 178.010 176.600 -0.434 0.000 1.047 462 K CA 1.216 56.947 56.287 -0.927 0.000 0.930 462 K CB 0.009 32.008 32.500 -0.836 0.000 0.720 462 K HN 0.416 nan 8.250 nan 0.000 0.450 463 A N 1.091 123.821 122.820 -0.151 0.000 2.172 463 A HA -0.125 4.196 4.320 0.002 0.000 0.216 463 A C 1.004 178.644 177.584 0.095 0.000 1.154 463 A CA 1.298 53.321 52.037 -0.024 0.000 0.701 463 A CB -0.292 18.706 19.000 -0.002 0.000 0.789 463 A HN 0.410 nan 8.150 nan 0.000 0.465 464 N N -2.286 116.525 118.700 0.185 0.000 2.200 464 N HA 0.077 4.819 4.740 0.002 0.000 0.224 464 N C 0.479 176.273 175.510 0.475 0.000 1.179 464 N CA -0.389 52.833 53.050 0.287 0.000 0.877 464 N CB 0.212 38.845 38.487 0.244 0.000 1.072 464 N HN 0.495 nan 8.380 nan 0.000 0.519 465 W N 1.486 122.938 121.300 0.253 0.000 2.358 465 W HA 0.014 4.675 4.660 0.002 0.000 0.303 465 W C 2.151 178.941 176.519 0.452 0.000 1.208 465 W CA 0.678 58.255 57.345 0.386 0.000 1.274 465 W CB -0.768 28.963 29.460 0.452 0.000 1.138 465 W HN 0.199 nan 8.180 nan 0.000 0.515 466 N N -0.779 118.285 118.700 0.607 0.000 2.135 466 N HA -0.129 4.612 4.740 0.002 0.000 0.186 466 N C 1.619 177.336 175.510 0.345 0.000 1.027 466 N CA 1.972 55.259 53.050 0.395 0.000 0.849 466 N CB -0.772 37.965 38.487 0.417 0.000 1.002 466 N HN -0.078 nan 8.380 nan 0.000 0.425 467 c N 0.109 118.927 118.600 0.365 0.000 2.448 467 c HA 0.229 4.800 4.570 0.002 0.000 0.280 467 c C 2.673 176.929 174.090 0.276 0.000 1.398 467 c CA 0.341 56.873 56.329 0.338 0.000 1.774 467 c CB -1.504 41.168 42.510 0.269 0.000 1.888 467 c HN 0.531 nan 8.230 nan 0.000 0.519 468 A N 0.179 123.176 122.820 0.295 0.000 1.933 468 A HA -0.194 4.127 4.320 0.002 0.000 0.218 468 A C 1.863 179.556 177.584 0.182 0.000 1.175 468 A CA 1.566 53.767 52.037 0.274 0.000 0.628 468 A CB -0.740 18.471 19.000 0.351 0.000 0.814 468 A HN 0.537 nan 8.150 nan 0.000 0.444 469 F N -0.869 118.973 119.950 -0.180 0.000 2.051 469 F HA -0.156 4.372 4.527 0.002 0.000 0.296 469 F C 2.015 177.519 175.800 -0.492 0.000 1.122 469 F CA 1.766 59.278 58.000 -0.812 0.000 1.201 469 F CB -0.585 37.555 39.000 -1.434 0.000 0.978 469 F HN 0.388 nan 8.300 nan 0.000 0.472 470 W N 0.844 122.105 121.300 -0.064 0.000 2.425 470 W HA -0.072 4.589 4.660 0.002 0.000 0.277 470 W C 2.407 178.876 176.519 -0.083 0.000 1.231 470 W CA 0.749 58.034 57.345 -0.100 0.000 1.248 470 W CB -0.314 29.178 29.460 0.053 0.000 1.117 470 W HN -0.079 nan 8.180 nan 0.000 0.568 471 K N 0.369 120.866 120.400 0.162 0.000 2.057 471 K HA -0.168 4.153 4.320 0.002 0.000 0.207 471 K C 1.845 178.502 176.600 0.095 0.000 1.049 471 K CA 1.357 57.725 56.287 0.135 0.000 0.931 471 K CB -0.587 31.995 32.500 0.137 0.000 0.714 471 K HN 0.214 nan 8.250 nan 0.000 0.440 472 L N 0.630 121.852 121.223 -0.002 0.000 2.056 472 L HA -0.174 4.167 4.340 0.002 0.000 0.207 472 L C 2.458 179.325 176.870 -0.005 0.000 1.078 472 L CA 0.953 55.796 54.840 0.005 0.000 0.749 472 L CB -0.333 41.620 42.059 -0.177 0.000 0.901 472 L HN 0.109 nan 8.230 nan 0.000 0.433 473 R N -0.006 120.376 120.500 -0.197 0.000 2.105 473 R HA -0.191 4.150 4.340 0.002 0.000 0.239 473 R C 1.832 178.186 176.300 0.091 0.000 1.135 473 R CA 1.608 57.652 56.100 -0.093 0.000 0.967 473 R CB -0.966 29.274 30.300 -0.100 0.000 0.861 473 R HN 0.429 nan 8.270 nan 0.000 0.442 474 D N 0.806 121.284 120.400 0.130 0.000 2.077 474 D HA -0.184 4.457 4.640 0.002 0.000 0.196 474 D C 1.776 178.274 176.300 0.330 0.000 0.986 474 D CA 1.437 55.531 54.000 0.157 0.000 0.829 474 D CB -0.135 40.775 40.800 0.183 0.000 0.983 474 D HN 0.325 nan 8.370 nan 0.000 0.453 475 E N -1.639 118.737 120.200 0.293 0.000 2.097 475 E HA -0.235 4.117 4.350 0.002 0.000 0.196 475 E C 2.040 178.767 176.600 0.213 0.000 1.000 475 E CA 1.238 57.772 56.400 0.224 0.000 0.804 475 E CB -0.157 29.564 29.700 0.036 0.000 0.740 475 E HN 0.456 nan 8.360 nan 0.000 0.454 476 Y N -0.836 119.603 120.300 0.232 0.000 2.343 476 Y HA 0.122 4.673 4.550 0.002 0.000 0.294 476 Y C 2.541 178.610 175.900 0.281 0.000 1.122 476 Y CA 0.847 59.087 58.100 0.233 0.000 1.173 476 Y CB 0.400 38.850 38.460 -0.017 0.000 1.077 476 Y HN -0.025 nan 8.280 nan 0.000 0.542 477 S N -1.434 114.443 115.700 0.295 0.000 2.503 477 S HA 0.189 4.660 4.470 0.002 0.000 0.215 477 S C 1.430 176.049 174.600 0.031 0.000 1.003 477 S CA 0.582 58.929 58.200 0.244 0.000 0.910 477 S CB 0.161 63.504 63.200 0.238 0.000 0.790 477 S HN 0.620 nan 8.310 nan 0.000 0.514 478 G N 2.297 110.787 108.800 -0.517 0.000 2.273 478 G HA2 -0.254 3.708 3.960 0.002 0.000 0.280 478 G HA3 -0.254 3.708 3.960 0.002 0.000 0.280 478 G C -0.101 174.496 174.900 -0.505 0.000 1.047 478 G CA 0.720 44.846 45.100 -1.624 0.000 0.869 478 G HN 0.605 nan 8.290 nan 0.000 0.502 479 I N -3.361 117.109 120.570 -0.167 0.000 2.957 479 I HA 1.042 5.213 4.170 0.002 0.000 0.310 479 I C -0.334 175.757 176.117 -0.043 0.000 1.063 479 I CA -1.681 59.591 61.300 -0.047 0.000 1.033 479 I CB 2.122 40.190 38.000 0.112 0.000 1.230 479 I HN 0.424 nan 8.210 nan 0.000 0.447 480 E N 1.668 121.797 120.200 -0.119 0.000 2.430 480 E HA 0.638 4.989 4.350 0.002 0.000 0.279 480 E C -3.120 173.179 176.600 -0.501 0.000 1.003 480 E CA -2.206 54.045 56.400 -0.248 0.000 0.801 480 E CB 1.613 31.174 29.700 -0.233 0.000 1.313 480 E HN 0.315 nan 8.360 nan 0.000 0.459 481 P HA 0.059 nan 4.420 nan 0.000 0.270 481 P C -1.908 174.766 177.300 -1.045 0.000 1.223 481 P CA -1.023 61.306 63.100 -1.285 0.000 0.785 481 P CB 0.203 31.028 31.700 -1.458 0.000 0.923 482 P HA -0.044 nan 4.420 nan 0.000 0.225 482 P C 0.076 176.942 177.300 -0.724 0.000 1.156 482 P CA 1.091 63.544 63.100 -1.078 0.000 0.787 482 P CB 0.214 30.944 31.700 -1.617 0.000 0.802 483 V N -4.221 115.270 119.914 -0.705 0.000 3.102 483 V HA 0.482 4.603 4.120 0.002 0.000 0.312 483 V C -0.058 175.818 176.094 -0.363 0.000 1.135 483 V CA -1.448 60.605 62.300 -0.412 0.000 1.022 483 V CB 1.854 33.511 31.823 -0.277 0.000 1.056 483 V HN -0.340 nan 8.190 nan 0.000 0.436 484 V N 3.740 123.521 119.914 -0.222 0.000 2.529 484 V HA 0.342 4.463 4.120 0.002 0.000 0.292 484 V C 0.544 176.570 176.094 -0.114 0.000 1.028 484 V CA 0.019 62.220 62.300 -0.164 0.000 1.074 484 V CB -0.173 31.593 31.823 -0.094 0.000 0.958 484 V HN 0.889 nan 8.190 nan 0.000 0.481 485 R N 3.347 123.779 120.500 -0.114 0.000 2.782 485 R HA 0.810 5.151 4.340 0.002 0.000 0.258 485 R C 0.081 176.422 176.300 0.069 0.000 1.055 485 R CA -0.463 55.640 56.100 0.005 0.000 1.065 485 R CB 1.865 32.180 30.300 0.025 0.000 1.172 485 R HN 0.857 nan 8.270 nan 0.000 0.510 486 S N -1.089 114.692 115.700 0.135 0.000 2.819 486 S HA 0.296 4.767 4.470 0.002 0.000 0.299 486 S C 0.193 174.913 174.600 0.199 0.000 1.192 486 S CA -0.782 57.505 58.200 0.145 0.000 0.847 486 S CB 1.358 64.618 63.200 0.100 0.000 1.224 486 S HN 0.407 nan 8.310 nan 0.000 0.537 487 E N 0.595 120.902 120.200 0.179 0.000 2.516 487 E HA 0.064 4.415 4.350 0.002 0.000 0.199 487 E C 0.998 177.699 176.600 0.168 0.000 1.069 487 E CA 0.406 56.925 56.400 0.198 0.000 0.876 487 E CB -0.232 29.564 29.700 0.159 0.000 0.843 487 E HN 0.537 nan 8.360 nan 0.000 0.530 488 K N 0.582 121.066 120.400 0.141 0.000 2.366 488 K HA -0.001 4.321 4.320 0.002 0.000 0.198 488 K C 0.407 177.098 176.600 0.151 0.000 1.044 488 K CA 0.458 56.816 56.287 0.118 0.000 0.973 488 K CB 0.348 32.901 32.500 0.087 0.000 0.767 488 K HN 0.088 nan 8.250 nan 0.000 0.475 489 D N -0.396 120.125 120.400 0.202 0.000 2.326 489 D HA 0.186 4.827 4.640 0.002 0.000 0.251 489 D C -1.032 175.476 176.300 0.347 0.000 1.023 489 D CA -0.330 53.815 54.000 0.241 0.000 0.966 489 D CB 1.344 42.294 40.800 0.249 0.000 1.156 489 D HN -0.166 nan 8.370 nan 0.000 0.494 490 F N 1.247 121.261 119.950 0.107 0.000 2.949 490 F HA 0.173 4.702 4.527 0.002 0.000 0.376 490 F C 0.084 175.849 175.800 -0.058 0.000 1.205 490 F CA -0.652 57.374 58.000 0.043 0.000 1.155 490 F CB 0.971 39.995 39.000 0.039 0.000 1.495 490 F HN 0.066 nan 8.300 nan 0.000 0.551 491 D N 2.945 123.088 120.400 -0.429 0.000 2.346 491 D HA 0.093 4.734 4.640 0.002 0.000 0.206 491 D C 2.091 177.894 176.300 -0.829 0.000 1.001 491 D CA 0.845 54.677 54.000 -0.281 0.000 0.871 491 D CB 0.471 41.474 40.800 0.338 0.000 0.943 491 D HN 0.565 nan 8.370 nan 0.000 0.518 492 A N 2.159 124.021 122.820 -1.596 0.000 1.892 492 A HA -0.139 4.182 4.320 0.002 0.000 0.218 492 A C -0.380 176.673 177.584 -0.885 0.000 1.188 492 A CA 1.323 52.327 52.037 -1.721 0.000 0.631 492 A CB -1.493 16.488 19.000 -1.698 0.000 0.822 492 A HN 0.155 nan 8.150 nan 0.000 0.447 493 P HA 0.062 nan 4.420 nan 0.000 0.239 493 P C 1.129 178.336 177.300 -0.154 0.000 1.184 493 P CA 1.064 63.958 63.100 -0.344 0.000 0.760 493 P CB -0.052 31.535 31.700 -0.188 0.000 0.884 494 A N -0.838 121.841 122.820 -0.236 0.000 2.172 494 A HA -0.104 4.218 4.320 0.002 0.000 0.216 494 A C 1.329 179.173 177.584 0.434 0.000 1.154 494 A CA 0.884 52.843 52.037 -0.129 0.000 0.701 494 A CB -0.803 17.754 19.000 -0.738 0.000 0.789 494 A HN 0.060 nan 8.150 nan 0.000 0.465 495 K N -0.905 119.565 120.400 0.116 0.000 2.227 495 K HA 0.329 4.650 4.320 0.002 0.000 0.280 495 K C 0.451 176.899 176.600 -0.253 0.000 1.041 495 K CA -0.723 55.487 56.287 -0.128 0.000 0.905 495 K CB 0.211 32.558 32.500 -0.255 0.000 1.068 495 K HN 0.234 nan 8.250 nan 0.000 0.470 496 Y N 4.205 124.143 120.300 -0.603 0.000 2.062 496 Y HA -0.365 4.186 4.550 0.002 0.000 0.276 496 Y C 1.112 176.592 175.900 -0.701 0.000 1.189 496 Y CA 2.498 59.888 58.100 -1.184 0.000 1.130 496 Y CB -0.306 37.419 38.460 -1.224 0.000 0.959 496 Y HN 0.940 nan 8.280 nan 0.000 0.499 497 H N -0.526 118.250 119.070 -0.489 0.000 2.457 497 H HA -0.123 4.435 4.556 0.002 0.000 0.297 497 H C 2.268 177.445 175.328 -0.252 0.000 1.092 497 H CA 1.915 57.774 56.048 -0.315 0.000 1.309 497 H CB -0.371 29.454 29.762 0.106 0.000 1.382 497 H HN 0.427 nan 8.280 nan 0.000 0.535 498 I N -0.778 119.717 120.570 -0.126 0.000 2.333 498 I HA -0.194 3.978 4.170 0.002 0.000 0.246 498 I C 2.143 178.237 176.117 -0.038 0.000 1.106 498 I CA 0.875 62.165 61.300 -0.016 0.000 1.411 498 I CB -0.175 37.762 38.000 -0.105 0.000 1.082 498 I HN 0.134 nan 8.210 nan 0.000 0.420 499 S N 0.743 116.307 115.700 -0.227 0.000 2.382 499 S HA -0.085 4.387 4.470 0.002 0.000 0.228 499 S C 1.941 176.339 174.600 -0.337 0.000 1.027 499 S CA 1.406 59.477 58.200 -0.214 0.000 0.991 499 S CB -0.162 62.909 63.200 -0.215 0.000 0.823 499 S HN 0.524 nan 8.310 nan 0.000 0.469 500 A N 0.493 122.971 122.820 -0.571 0.000 2.275 500 A HA 0.255 4.576 4.320 0.002 0.000 0.212 500 A C 0.574 177.985 177.584 -0.288 0.000 1.201 500 A CA 0.452 52.150 52.037 -0.565 0.000 0.843 500 A CB -0.250 18.056 19.000 -1.156 0.000 0.873 500 A HN 0.393 nan 8.150 nan 0.000 0.492 501 D N -0.941 119.355 120.400 -0.175 0.000 2.737 501 D HA -0.133 4.508 4.640 0.002 0.000 0.238 501 D C -0.826 175.567 176.300 0.154 0.000 1.157 501 D CA 0.836 54.892 54.000 0.095 0.000 0.694 501 D CB -1.586 39.278 40.800 0.107 0.000 1.021 501 D HN 0.189 nan 8.370 nan 0.000 0.420 502 V N 1.945 121.902 119.914 0.072 0.000 2.378 502 V HA 0.262 4.384 4.120 0.002 0.000 0.288 502 V C 0.672 176.738 176.094 -0.048 0.000 1.016 502 V CA -0.972 61.346 62.300 0.030 0.000 0.840 502 V CB 1.685 33.553 31.823 0.074 0.000 0.994 502 V HN 0.290 nan 8.190 nan 0.000 0.431 503 E N 2.817 122.725 120.200 -0.487 0.000 2.502 503 E HA -0.108 4.243 4.350 0.002 0.000 0.261 503 E C -0.561 175.865 176.600 -0.290 0.000 0.974 503 E CA 0.501 56.315 56.400 -0.977 0.000 0.936 503 E CB 0.626 29.502 29.700 -1.374 0.000 0.926 503 E HN 0.701 nan 8.360 nan 0.000 0.459 504 Y N 3.973 124.105 120.300 -0.280 0.000 2.462 504 Y HA 0.019 4.570 4.550 0.002 0.000 0.253 504 Y C 1.827 177.717 175.900 -0.016 0.000 1.095 504 Y CA 0.033 58.111 58.100 -0.037 0.000 1.283 504 Y CB 0.374 38.752 38.460 -0.136 0.000 1.138 504 Y HN 0.591 nan 8.280 nan 0.000 0.522 505 L N 1.431 122.668 121.223 0.023 0.000 2.127 505 L HA -0.228 4.113 4.340 0.002 0.000 0.211 505 L C 2.566 179.451 176.870 0.025 0.000 1.089 505 L CA 1.790 56.656 54.840 0.043 0.000 0.757 505 L CB -0.513 41.669 42.059 0.204 0.000 0.899 505 L HN 0.255 nan 8.230 nan 0.000 0.434 506 R N -1.857 118.631 120.500 -0.020 0.000 2.133 506 R HA -0.273 4.068 4.340 0.002 0.000 0.247 506 R C 1.930 178.125 176.300 -0.175 0.000 1.151 506 R CA 2.327 58.365 56.100 -0.102 0.000 0.971 506 R CB -1.323 28.768 30.300 -0.349 0.000 0.866 506 R HN 0.365 nan 8.270 nan 0.000 0.447 507 Y N 0.640 120.905 120.300 -0.060 0.000 2.286 507 Y HA -0.016 4.535 4.550 0.002 0.000 0.293 507 Y C 2.238 178.241 175.900 0.171 0.000 1.124 507 Y CA 0.552 58.678 58.100 0.043 0.000 1.178 507 Y CB -0.357 38.007 38.460 -0.160 0.000 1.010 507 Y HN 0.024 nan 8.280 nan 0.000 0.536 508 L N -0.430 120.875 121.223 0.138 0.000 2.017 508 L HA -0.140 4.201 4.340 0.002 0.000 0.208 508 L C 2.137 179.029 176.870 0.037 0.000 1.073 508 L CA 1.473 56.318 54.840 0.009 0.000 0.745 508 L CB -0.909 41.001 42.059 -0.249 0.000 0.894 508 L HN 0.038 nan 8.230 nan 0.000 0.432 509 V N -0.785 119.131 119.914 0.004 0.000 2.255 509 V HA -0.322 3.800 4.120 0.002 0.000 0.247 509 V C 2.788 178.911 176.094 0.049 0.000 1.051 509 V CA 1.944 64.244 62.300 0.001 0.000 1.018 509 V CB -1.138 30.729 31.823 0.073 0.000 0.641 509 V HN 0.690 nan 8.190 nan 0.000 0.445 510 S N -0.340 115.443 115.700 0.138 0.000 2.359 510 S HA -0.261 4.210 4.470 0.002 0.000 0.223 510 S C 1.896 176.607 174.600 0.185 0.000 1.039 510 S CA 2.136 60.432 58.200 0.159 0.000 1.042 510 S CB -0.567 62.797 63.200 0.274 0.000 0.915 510 S HN 0.548 nan 8.310 nan 0.000 0.439 511 F N 0.769 120.764 119.950 0.074 0.000 2.333 511 F HA 0.054 4.582 4.527 0.002 0.000 0.300 511 F C 1.993 177.894 175.800 0.167 0.000 1.083 511 F CA 0.744 58.820 58.000 0.127 0.000 1.395 511 F CB -0.128 39.004 39.000 0.220 0.000 1.056 511 F HN 0.263 nan 8.300 nan 0.000 0.529 512 I N 0.211 120.904 120.570 0.204 0.000 2.296 512 I HA -0.220 3.951 4.170 0.002 0.000 0.242 512 I C 2.311 178.414 176.117 -0.023 0.000 1.087 512 I CA 1.105 62.453 61.300 0.080 0.000 1.393 512 I CB -0.412 37.576 38.000 -0.020 0.000 1.093 512 I HN 0.071 nan 8.210 nan 0.000 0.421 513 I N -0.120 120.336 120.570 -0.190 0.000 2.676 513 I HA -0.218 3.953 4.170 0.002 0.000 0.259 513 I C 2.490 178.181 176.117 -0.710 0.000 1.194 513 I CA 1.001 61.985 61.300 -0.527 0.000 1.473 513 I CB -0.740 36.812 38.000 -0.747 0.000 1.096 513 I HN 0.340 nan 8.210 nan 0.000 0.443 514 Q N 1.232 120.803 119.800 -0.383 0.000 2.226 514 Q HA -0.180 4.161 4.340 0.002 0.000 0.204 514 Q C 1.748 177.515 176.000 -0.388 0.000 0.975 514 Q CA 1.725 57.320 55.803 -0.348 0.000 0.866 514 Q CB -0.760 27.734 28.738 -0.407 0.000 0.915 514 Q HN 0.557 nan 8.270 nan 0.000 0.440 515 F N 1.461 121.261 119.950 -0.251 0.000 2.293 515 F HA -0.008 4.520 4.527 0.002 0.000 0.297 515 F C 2.476 178.221 175.800 -0.092 0.000 1.089 515 F CA 1.036 58.949 58.000 -0.145 0.000 1.377 515 F CB -0.021 38.889 39.000 -0.149 0.000 1.051 515 F HN 0.069 nan 8.300 nan 0.000 0.511 516 Q N -0.208 119.542 119.800 -0.083 0.000 2.050 516 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 516 Q C 2.201 178.135 176.000 -0.110 0.000 0.980 516 Q CA 1.896 57.609 55.803 -0.148 0.000 0.840 516 Q CB -0.545 27.996 28.738 -0.327 0.000 0.898 516 Q HN 0.432 nan 8.270 nan 0.000 0.424 517 F N -0.865 118.941 119.950 -0.240 0.000 2.134 517 F HA -0.260 4.268 4.527 0.002 0.000 0.299 517 F C 2.339 178.106 175.800 -0.055 0.000 1.097 517 F CA 0.709 58.448 58.000 -0.435 0.000 1.264 517 F CB -0.301 38.259 39.000 -0.734 0.000 1.001 517 F HN 0.121 nan 8.300 nan 0.000 0.479 518 Y N 1.504 121.809 120.300 0.009 0.000 2.145 518 Y HA -0.243 4.308 4.550 0.002 0.000 0.286 518 Y C 2.514 178.447 175.900 0.056 0.000 1.145 518 Y CA 1.807 59.899 58.100 -0.013 0.000 1.148 518 Y CB -0.543 37.786 38.460 -0.217 0.000 0.981 518 Y HN -0.097 nan 8.280 nan 0.000 0.507 519 K N -0.497 119.956 120.400 0.088 0.000 2.020 519 K HA -0.196 4.125 4.320 0.002 0.000 0.212 519 K C 2.256 178.913 176.600 0.095 0.000 1.050 519 K CA 2.021 58.332 56.287 0.041 0.000 0.929 519 K CB -0.368 32.209 32.500 0.128 0.000 0.714 519 K HN 0.303 nan 8.250 nan 0.000 0.443 520 S N 0.363 116.163 115.700 0.166 0.000 2.368 520 S HA -0.124 4.347 4.470 0.002 0.000 0.225 520 S C 2.010 176.683 174.600 0.121 0.000 1.030 520 S CA 1.160 59.475 58.200 0.193 0.000 0.999 520 S CB -0.271 63.132 63.200 0.339 0.000 0.844 520 S HN 0.543 nan 8.310 nan 0.000 0.459 521 A N 0.425 123.341 122.820 0.161 0.000 1.933 521 A HA -0.144 4.177 4.320 0.002 0.000 0.218 521 A C 2.384 179.960 177.584 -0.014 0.000 1.175 521 A CA 1.515 53.594 52.037 0.070 0.000 0.628 521 A CB -1.204 17.914 19.000 0.198 0.000 0.814 521 A HN 0.623 nan 8.150 nan 0.000 0.444 522 c N -0.783 117.758 118.600 -0.099 0.000 2.440 522 c HA -0.022 4.549 4.570 0.002 0.000 0.278 522 c C 2.549 176.650 174.090 0.018 0.000 1.295 522 c CA 0.808 57.070 56.329 -0.112 0.000 1.738 522 c CB -1.305 41.038 42.510 -0.278 0.000 1.987 522 c HN 0.627 nan 8.230 nan 0.000 0.492 523 I N 0.876 121.486 120.570 0.066 0.000 2.179 523 I HA -0.222 3.949 4.170 0.002 0.000 0.242 523 I C 2.503 178.623 176.117 0.005 0.000 1.088 523 I CA 1.592 62.925 61.300 0.055 0.000 1.357 523 I CB -0.428 37.614 38.000 0.070 0.000 1.051 523 I HN 0.351 nan 8.210 nan 0.000 0.409 524 K N 0.839 121.232 120.400 -0.011 0.000 2.103 524 K HA -0.129 4.193 4.320 0.002 0.000 0.207 524 K C 2.012 178.595 176.600 -0.029 0.000 1.048 524 K CA 1.517 57.781 56.287 -0.038 0.000 0.930 524 K CB -0.248 32.202 32.500 -0.082 0.000 0.716 524 K HN 0.318 nan 8.250 nan 0.000 0.444 525 A N 0.357 123.167 122.820 -0.018 0.000 2.206 525 A HA 0.141 4.463 4.320 0.002 0.000 0.211 525 A C 1.384 178.965 177.584 -0.005 0.000 1.158 525 A CA 0.824 52.855 52.037 -0.010 0.000 0.761 525 A CB -0.457 18.543 19.000 -0.000 0.000 0.801 525 A HN 0.418 nan 8.150 nan 0.000 0.473 526 G N -1.269 107.528 108.800 -0.005 0.000 2.176 526 G HA2 -0.258 3.703 3.960 0.002 0.000 0.252 526 G HA3 -0.258 3.703 3.960 0.002 0.000 0.252 526 G C 0.610 175.517 174.900 0.011 0.000 1.024 526 G CA 0.588 45.685 45.100 -0.004 0.000 0.755 526 G HN 0.449 nan 8.290 nan 0.000 0.507 527 Q N -1.783 118.033 119.800 0.027 0.000 2.319 527 Q HA 0.217 4.558 4.340 0.002 0.000 0.209 527 Q C -0.107 175.961 176.000 0.114 0.000 0.884 527 Q CA 0.200 56.031 55.803 0.047 0.000 0.938 527 Q CB 0.832 29.584 28.738 0.024 0.000 1.098 527 Q HN 0.727 nan 8.270 nan 0.000 0.517 528 Y N 0.851 121.120 120.300 -0.052 0.000 2.354 528 Y HA 0.398 4.950 4.550 0.002 0.000 0.330 528 Y C -1.783 174.099 175.900 -0.029 0.000 1.011 528 Y CA -1.789 56.283 58.100 -0.046 0.000 1.099 528 Y CB 1.354 39.774 38.460 -0.066 0.000 1.179 528 Y HN -0.206 nan 8.280 nan 0.000 0.442 529 D N 8.483 128.608 120.400 -0.457 0.000 2.686 529 D HA 0.347 4.988 4.640 0.002 0.000 0.249 529 D C -2.307 173.660 176.300 -0.554 0.000 1.260 529 D CA -2.184 51.499 54.000 -0.527 0.000 0.910 529 D CB 2.933 43.603 40.800 -0.217 0.000 1.323 529 D HN 0.334 nan 8.370 nan 0.000 0.561 530 P HA -0.026 nan 4.420 nan 0.000 0.225 530 P C 0.233 177.469 177.300 -0.106 0.000 1.148 530 P CA 0.715 63.648 63.100 -0.279 0.000 0.779 530 P CB 0.636 32.224 31.700 -0.187 0.000 0.780 531 D N -1.282 119.044 120.400 -0.123 0.000 2.349 531 D HA 0.035 4.676 4.640 0.002 0.000 0.214 531 D C 0.280 176.550 176.300 -0.050 0.000 1.063 531 D CA 0.346 54.308 54.000 -0.064 0.000 0.847 531 D CB -0.177 40.587 40.800 -0.060 0.000 0.933 531 D HN 0.111 nan 8.370 nan 0.000 0.513 532 N N 1.072 119.736 118.700 -0.059 0.000 2.479 532 N HA 0.013 4.755 4.740 0.002 0.000 0.261 532 N C 0.766 176.273 175.510 -0.006 0.000 0.979 532 N CA -0.337 52.694 53.050 -0.033 0.000 0.930 532 N CB 1.868 40.330 38.487 -0.042 0.000 1.172 532 N HN -0.269 nan 8.380 nan 0.000 0.499 533 V N 3.380 123.295 119.914 0.002 0.000 2.688 533 V HA -0.097 4.024 4.120 0.002 0.000 0.256 533 V C 1.372 177.477 176.094 0.019 0.000 1.084 533 V CA 1.748 64.056 62.300 0.013 0.000 1.103 533 V CB -0.146 31.681 31.823 0.008 0.000 0.688 533 V HN 0.586 nan 8.190 nan 0.000 0.480 534 E N -0.082 120.127 120.200 0.015 0.000 2.435 534 E HA 0.128 4.479 4.350 0.002 0.000 0.195 534 E C 0.680 177.300 176.600 0.033 0.000 1.029 534 E CA 0.375 56.787 56.400 0.020 0.000 0.865 534 E CB 0.163 29.871 29.700 0.012 0.000 0.833 534 E HN 0.546 nan 8.360 nan 0.000 0.510 535 L N 2.586 123.834 121.223 0.042 0.000 2.679 535 L HA 0.280 4.621 4.340 0.002 0.000 0.238 535 L C -2.386 174.580 176.870 0.161 0.000 1.330 535 L CA -1.599 53.287 54.840 0.077 0.000 0.935 535 L CB 0.951 43.040 42.059 0.049 0.000 1.243 535 L HN -0.218 nan 8.230 nan 0.000 0.484 536 P HA 0.062 nan 4.420 nan 0.000 0.278 536 P C 0.737 178.057 177.300 0.034 0.000 1.238 536 P CA -0.569 62.600 63.100 0.114 0.000 0.794 536 P CB 2.090 33.800 31.700 0.017 0.000 0.955 537 L N 2.809 123.926 121.223 -0.178 0.000 2.079 537 L HA -0.160 4.181 4.340 0.002 0.000 0.210 537 L C 1.626 178.364 176.870 -0.220 0.000 1.081 537 L CA 2.048 56.607 54.840 -0.469 0.000 0.752 537 L CB -1.320 40.217 42.059 -0.869 0.000 0.896 537 L HN 0.413 nan 8.230 nan 0.000 0.433 538 D N -2.262 117.892 120.400 -0.410 0.000 2.378 538 D HA -0.143 4.498 4.640 0.002 0.000 0.227 538 D C 0.810 177.072 176.300 -0.062 0.000 1.012 538 D CA 0.397 54.151 54.000 -0.410 0.000 0.905 538 D CB -0.360 40.065 40.800 -0.626 0.000 0.895 538 D HN 0.368 nan 8.370 nan 0.000 0.532 539 N N -0.047 118.652 118.700 -0.001 0.000 2.241 539 N HA 0.028 4.770 4.740 0.002 0.000 0.238 539 N C -0.969 174.596 175.510 0.091 0.000 1.244 539 N CA -0.498 52.586 53.050 0.057 0.000 0.880 539 N CB 0.346 38.860 38.487 0.046 0.000 1.179 539 N HN 0.185 nan 8.380 nan 0.000 0.513 540 c N 0.641 119.309 118.600 0.113 0.000 2.632 540 c HA 0.422 4.993 4.570 0.002 0.000 0.415 540 c C -0.031 174.146 174.090 0.146 0.000 1.332 540 c CA -0.472 55.902 56.329 0.075 0.000 1.874 540 c CB -0.492 41.955 42.510 -0.105 0.000 2.596 540 c HN 0.372 nan 8.230 nan 0.000 0.590 541 D N 4.044 124.523 120.400 0.130 0.000 2.425 541 D HA 0.320 4.961 4.640 0.002 0.000 0.240 541 D C 0.758 177.162 176.300 0.174 0.000 1.080 541 D CA -0.633 53.486 54.000 0.198 0.000 0.836 541 D CB 0.870 41.809 40.800 0.232 0.000 1.125 541 D HN 0.653 nan 8.370 nan 0.000 0.525 542 I N 1.276 121.981 120.570 0.225 0.000 3.812 542 I HA 0.256 4.427 4.170 0.002 0.000 0.320 542 I C 0.351 176.536 176.117 0.114 0.000 1.276 542 I CA -0.571 60.832 61.300 0.172 0.000 1.164 542 I CB -0.414 37.695 38.000 0.183 0.000 1.009 542 I HN 0.200 nan 8.210 nan 0.000 0.431 543 Y N 3.418 123.644 120.300 -0.123 0.000 2.811 543 Y HA 0.277 4.828 4.550 0.002 0.000 0.334 543 Y C 1.527 177.261 175.900 -0.277 0.000 1.247 543 Y CA 1.301 59.032 58.100 -0.615 0.000 1.526 543 Y CB 0.480 38.572 38.460 -0.613 0.000 1.284 543 Y HN 0.447 nan 8.280 nan 0.000 0.586 544 G N 3.174 111.445 108.800 -0.882 0.000 2.184 544 G HA2 -0.312 3.650 3.960 0.002 0.000 0.264 544 G HA3 -0.312 3.650 3.960 0.002 0.000 0.264 544 G C 0.254 175.009 174.900 -0.243 0.000 0.975 544 G CA 0.379 45.163 45.100 -0.526 0.000 0.642 544 G HN 0.956 nan 8.290 nan 0.000 0.536 545 S N 0.533 116.129 115.700 -0.173 0.000 2.400 545 S HA 0.673 5.144 4.470 0.002 0.000 0.295 545 S C 1.614 176.176 174.600 -0.064 0.000 1.113 545 S CA 0.673 58.826 58.200 -0.079 0.000 1.064 545 S CB 0.794 63.979 63.200 -0.025 0.000 0.990 545 S HN 1.437 nan 8.310 nan 0.000 0.502 546 A N 5.202 127.983 122.820 -0.066 0.000 1.969 546 A HA 0.180 4.501 4.320 0.002 0.000 0.218 546 A C 2.292 179.856 177.584 -0.032 0.000 1.169 546 A CA 1.437 53.444 52.037 -0.050 0.000 0.635 546 A CB -0.934 18.033 19.000 -0.055 0.000 0.810 546 A HN 1.059 nan 8.150 nan 0.000 0.445 547 A N 0.031 122.828 122.820 -0.038 0.000 1.898 547 A HA 0.186 4.507 4.320 0.002 0.000 0.216 547 A C 2.488 180.034 177.584 -0.063 0.000 1.181 547 A CA 1.929 53.937 52.037 -0.049 0.000 0.620 547 A CB -0.956 18.015 19.000 -0.049 0.000 0.819 547 A HN 0.978 nan 8.150 nan 0.000 0.442 548 A N -0.454 122.351 122.820 -0.026 0.000 1.898 548 A HA 0.142 4.463 4.320 0.002 0.000 0.216 548 A C 2.411 180.065 177.584 0.116 0.000 1.181 548 A CA 1.857 53.901 52.037 0.011 0.000 0.620 548 A CB -1.392 17.671 19.000 0.105 0.000 0.819 548 A HN 0.740 nan 8.150 nan 0.000 0.442 549 G N -0.450 108.428 108.800 0.129 0.000 2.442 549 G HA2 -0.015 3.946 3.960 0.002 0.000 0.219 549 G HA3 -0.015 3.946 3.960 0.002 0.000 0.219 549 G C 1.702 176.688 174.900 0.143 0.000 1.141 549 G CA 1.437 46.641 45.100 0.174 0.000 0.763 549 G HN 0.794 nan 8.290 nan 0.000 0.554 550 A N 1.158 124.001 122.820 0.038 0.000 1.933 550 A HA 0.262 4.584 4.320 0.002 0.000 0.218 550 A C 2.820 180.383 177.584 -0.034 0.000 1.175 550 A CA 2.209 54.262 52.037 0.025 0.000 0.628 550 A CB -0.754 18.233 19.000 -0.022 0.000 0.814 550 A HN 0.765 nan 8.150 nan 0.000 0.444 551 A N -1.046 121.635 122.820 -0.232 0.000 1.877 551 A HA -0.013 4.308 4.320 0.002 0.000 0.216 551 A C 1.951 179.299 177.584 -0.394 0.000 1.186 551 A CA 1.564 53.241 52.037 -0.600 0.000 0.620 551 A CB -0.770 17.407 19.000 -1.372 0.000 0.822 551 A HN 0.444 nan 8.150 nan 0.000 0.443 552 F N -0.598 119.296 119.950 -0.092 0.000 2.095 552 F HA -0.174 4.354 4.527 0.002 0.000 0.298 552 F C 2.338 178.161 175.800 0.038 0.000 1.104 552 F CA 1.972 60.020 58.000 0.080 0.000 1.232 552 F CB -0.852 38.186 39.000 0.063 0.000 0.987 552 F HN 0.520 nan 8.300 nan 0.000 0.475 553 H N 0.364 119.528 119.070 0.156 0.000 2.319 553 H HA -0.159 4.398 4.556 0.002 0.000 0.299 553 H C 2.063 177.437 175.328 0.077 0.000 1.092 553 H CA 2.217 58.318 56.048 0.088 0.000 1.302 553 H CB -0.486 29.305 29.762 0.048 0.000 1.373 553 H HN 0.026 nan 8.280 nan 0.000 0.497 554 N N -0.074 118.580 118.700 -0.077 0.000 2.104 554 N HA -0.177 4.564 4.740 0.002 0.000 0.190 554 N C 2.148 177.632 175.510 -0.043 0.000 1.024 554 N CA 1.660 54.642 53.050 -0.113 0.000 0.853 554 N CB -0.377 38.081 38.487 -0.048 0.000 1.008 554 N HN 0.533 nan 8.380 nan 0.000 0.424 555 M N 0.092 119.714 119.600 0.037 0.000 2.191 555 M HA 0.044 4.525 4.480 0.002 0.000 0.262 555 M C 1.667 178.032 176.300 0.108 0.000 1.083 555 M CA 0.975 56.342 55.300 0.110 0.000 1.154 555 M CB 0.069 32.774 32.600 0.176 0.000 1.344 555 M HN -0.023 nan 8.290 nan 0.000 0.431 556 L N 0.265 121.515 121.223 0.046 0.000 2.141 556 L HA -0.136 4.205 4.340 0.002 0.000 0.209 556 L C 2.642 179.688 176.870 0.292 0.000 1.094 556 L CA 1.407 56.281 54.840 0.058 0.000 0.763 556 L CB -1.000 40.951 42.059 -0.181 0.000 0.908 556 L HN 0.488 nan 8.230 nan 0.000 0.437 557 S N -0.434 115.349 115.700 0.138 0.000 2.442 557 S HA -0.165 4.307 4.470 0.002 0.000 0.236 557 S C 1.881 176.633 174.600 0.253 0.000 1.007 557 S CA 0.967 59.297 58.200 0.217 0.000 0.965 557 S CB -0.378 62.791 63.200 -0.051 0.000 0.773 557 S HN 0.384 nan 8.310 nan 0.000 0.504 558 M N 1.430 121.127 119.600 0.162 0.000 2.319 558 M HA 0.153 4.634 4.480 0.002 0.000 0.265 558 M C 1.996 178.316 176.300 0.033 0.000 1.068 558 M CA 0.699 56.042 55.300 0.072 0.000 1.118 558 M CB -1.127 31.494 32.600 0.034 0.000 1.395 558 M HN 0.601 nan 8.290 nan 0.000 0.435 559 G N 0.955 109.874 108.800 0.198 0.000 2.651 559 G HA2 -0.371 3.590 3.960 0.002 0.000 0.315 559 G HA3 -0.371 3.590 3.960 0.002 0.000 0.315 559 G C 0.491 175.309 174.900 -0.136 0.000 1.258 559 G CA 0.403 45.510 45.100 0.012 0.000 1.002 559 G HN 0.644 nan 8.290 nan 0.000 0.551 560 A N -0.020 122.637 122.820 -0.272 0.000 2.507 560 A HA 0.621 4.942 4.320 0.002 0.000 0.270 560 A C 2.098 179.366 177.584 -0.527 0.000 1.318 560 A CA 1.423 53.298 52.037 -0.269 0.000 0.924 560 A CB -0.327 18.561 19.000 -0.187 0.000 1.061 560 A HN 1.946 nan 8.150 nan 0.000 0.516 561 S N -0.276 114.952 115.700 -0.787 0.000 2.447 561 S HA 0.036 4.507 4.470 0.002 0.000 0.233 561 S C 0.803 174.967 174.600 -0.728 0.000 1.006 561 S CA 0.660 58.012 58.200 -1.413 0.000 0.957 561 S CB 0.043 62.747 63.200 -0.826 0.000 0.773 561 S HN 0.319 nan 8.310 nan 0.000 0.507 562 K N 1.221 121.383 120.400 -0.396 0.000 2.477 562 K HA 0.540 4.861 4.320 0.002 0.000 0.255 562 K C -3.296 173.200 176.600 -0.174 0.000 0.952 562 K CA -2.470 53.682 56.287 -0.225 0.000 0.826 562 K CB 1.319 33.730 32.500 -0.149 0.000 1.331 562 K HN -0.068 nan 8.250 nan 0.000 0.437 563 P HA -0.047 nan 4.420 nan 0.000 0.266 563 P C 1.067 178.259 177.300 -0.180 0.000 1.193 563 P CA -0.070 62.935 63.100 -0.157 0.000 0.770 563 P CB 0.222 31.807 31.700 -0.190 0.000 0.836 564 W N 3.634 124.836 121.300 -0.164 0.000 2.350 564 W HA -0.084 4.577 4.660 0.002 0.000 0.289 564 W C -1.723 174.772 176.519 -0.041 0.000 1.215 564 W CA 1.123 58.303 57.345 -0.276 0.000 1.236 564 W CB -2.954 26.256 29.460 -0.416 0.000 1.130 564 W HN 0.317 nan 8.180 nan 0.000 0.541 565 P HA -0.122 nan 4.420 nan 0.000 0.220 565 P C 1.178 178.458 177.300 -0.032 0.000 1.148 565 P CA 2.082 64.985 63.100 -0.327 0.000 0.803 565 P CB -0.182 31.169 31.700 -0.581 0.000 0.782 566 D N -0.837 119.525 120.400 -0.063 0.000 2.183 566 D HA -0.046 4.596 4.640 0.002 0.000 0.203 566 D C 1.934 178.282 176.300 0.079 0.000 0.969 566 D CA 1.147 55.146 54.000 -0.001 0.000 0.842 566 D CB -0.453 40.320 40.800 -0.045 0.000 0.957 566 D HN 0.089 nan 8.370 nan 0.000 0.484 567 A N 0.779 123.668 122.820 0.115 0.000 1.897 567 A HA -0.075 4.246 4.320 0.002 0.000 0.215 567 A C 2.107 179.943 177.584 0.420 0.000 1.181 567 A CA 0.603 52.767 52.037 0.210 0.000 0.620 567 A CB -0.552 18.515 19.000 0.111 0.000 0.821 567 A HN 0.200 nan 8.150 nan 0.000 0.443 568 L N 0.285 121.852 121.223 0.574 0.000 2.046 568 L HA -0.145 4.196 4.340 0.002 0.000 0.208 568 L C 2.200 179.303 176.870 0.388 0.000 1.077 568 L CA 2.624 57.822 54.840 0.597 0.000 0.747 568 L CB -0.671 41.774 42.059 0.644 0.000 0.896 568 L HN 0.595 nan 8.230 nan 0.000 0.432 569 E N -0.776 119.581 120.200 0.262 0.000 2.118 569 E HA -0.237 4.114 4.350 0.002 0.000 0.195 569 E C 2.066 178.759 176.600 0.155 0.000 0.992 569 E CA 1.083 57.587 56.400 0.173 0.000 0.804 569 E CB -0.150 29.611 29.700 0.102 0.000 0.741 569 E HN 0.627 nan 8.360 nan 0.000 0.458 570 A N 0.017 122.933 122.820 0.161 0.000 2.015 570 A HA -0.141 4.180 4.320 0.002 0.000 0.219 570 A C 1.857 179.509 177.584 0.112 0.000 1.163 570 A CA 0.867 52.971 52.037 0.112 0.000 0.646 570 A CB -0.584 18.474 19.000 0.097 0.000 0.806 570 A HN 0.456 nan 8.150 nan 0.000 0.448 571 F N 1.352 121.326 119.950 0.039 0.000 2.118 571 F HA -0.059 4.469 4.527 0.002 0.000 0.293 571 F C 1.640 177.440 175.800 0.001 0.000 1.102 571 F CA 1.790 59.773 58.000 -0.027 0.000 1.247 571 F CB 0.200 39.174 39.000 -0.044 0.000 1.017 571 F HN 0.462 nan 8.300 nan 0.000 0.475 572 N N -1.344 117.532 118.700 0.294 0.000 2.142 572 N HA 0.195 4.936 4.740 0.002 0.000 0.233 572 N C 0.895 176.488 175.510 0.139 0.000 1.335 572 N CA 0.623 53.789 53.050 0.194 0.000 0.837 572 N CB 0.386 39.072 38.487 0.331 0.000 1.238 572 N HN 0.337 nan 8.380 nan 0.000 0.501 573 G N -0.032 108.846 108.800 0.131 0.000 2.179 573 G HA2 -0.296 3.665 3.960 0.002 0.000 0.260 573 G HA3 -0.296 3.665 3.960 0.002 0.000 0.260 573 G C -0.423 174.541 174.900 0.107 0.000 0.977 573 G CA 0.477 45.635 45.100 0.097 0.000 0.641 573 G HN 0.513 nan 8.290 nan 0.000 0.533 574 E N -0.895 119.391 120.200 0.144 0.000 2.250 574 E HA 0.682 5.033 4.350 0.002 0.000 0.269 574 E C 0.896 177.590 176.600 0.157 0.000 1.018 574 E CA -0.885 55.598 56.400 0.137 0.000 0.873 574 E CB 0.968 30.754 29.700 0.143 0.000 1.134 574 E HN 0.271 nan 8.360 nan 0.000 0.403 575 R N 0.758 121.335 120.500 0.128 0.000 2.531 575 R HA 0.338 4.679 4.340 0.002 0.000 0.316 575 R C -0.128 176.246 176.300 0.122 0.000 0.955 575 R CA -0.036 56.121 56.100 0.095 0.000 1.120 575 R CB 0.592 30.902 30.300 0.017 0.000 1.361 575 R HN 0.408 nan 8.270 nan 0.000 0.534 576 I N 1.353 122.040 120.570 0.195 0.000 2.465 576 I HA 0.288 4.459 4.170 0.002 0.000 0.291 576 I C -0.182 176.112 176.117 0.295 0.000 1.014 576 I CA -0.910 60.534 61.300 0.240 0.000 1.093 576 I CB 2.129 40.217 38.000 0.145 0.000 1.267 576 I HN -0.061 nan 8.210 nan 0.000 0.431 577 M N 5.799 125.641 119.600 0.402 0.000 2.246 577 M HA 0.213 4.694 4.480 0.002 0.000 0.350 577 M C -0.351 175.999 176.300 0.083 0.000 1.406 577 M CA 0.864 56.279 55.300 0.193 0.000 1.089 577 M CB 0.479 33.152 32.600 0.121 0.000 1.782 577 M HN 0.650 nan 8.290 nan 0.000 0.457 578 S N 2.743 118.458 115.700 0.024 0.000 2.548 578 S HA 0.629 5.100 4.470 0.002 0.000 0.276 578 S C 0.422 175.020 174.600 -0.003 0.000 1.129 578 S CA -0.363 57.849 58.200 0.020 0.000 0.931 578 S CB 1.604 64.829 63.200 0.042 0.000 1.068 578 S HN 0.898 nan 8.310 nan 0.000 0.480 579 G N 2.659 111.459 108.800 -0.001 0.000 2.985 579 G HA2 0.036 3.997 3.960 0.002 0.000 0.209 579 G HA3 0.036 3.997 3.960 0.002 0.000 0.209 579 G C 1.075 175.978 174.900 0.005 0.000 1.165 579 G CA 0.102 45.198 45.100 -0.007 0.000 0.776 579 G HN 0.726 nan 8.290 nan 0.000 0.541 580 K N 0.637 121.051 120.400 0.023 0.000 2.032 580 K HA -0.063 4.258 4.320 0.002 0.000 0.209 580 K C 2.665 179.294 176.600 0.049 0.000 1.048 580 K CA 1.405 57.716 56.287 0.040 0.000 0.927 580 K CB -0.207 32.324 32.500 0.051 0.000 0.712 580 K HN 0.191 nan 8.250 nan 0.000 0.441 581 A N 1.366 124.220 122.820 0.055 0.000 1.898 581 A HA -0.121 4.200 4.320 0.002 0.000 0.216 581 A C 2.129 179.748 177.584 0.057 0.000 1.181 581 A CA 1.324 53.417 52.037 0.093 0.000 0.620 581 A CB -0.531 18.543 19.000 0.123 0.000 0.819 581 A HN 0.502 nan 8.150 nan 0.000 0.442 582 I N -0.552 119.976 120.570 -0.069 0.000 2.286 582 I HA -0.214 3.958 4.170 0.002 0.000 0.248 582 I C 2.594 178.649 176.117 -0.103 0.000 1.115 582 I CA 1.291 62.341 61.300 -0.416 0.000 1.392 582 I CB -0.113 37.564 38.000 -0.538 0.000 1.065 582 I HN 0.323 nan 8.210 nan 0.000 0.418 583 A N 0.035 122.853 122.820 -0.002 0.000 1.930 583 A HA -0.271 4.051 4.320 0.002 0.000 0.217 583 A C 2.257 179.898 177.584 0.096 0.000 1.175 583 A CA 1.847 53.926 52.037 0.070 0.000 0.627 583 A CB -0.649 18.378 19.000 0.045 0.000 0.815 583 A HN 0.622 nan 8.150 nan 0.000 0.443 584 E N -1.545 118.700 120.200 0.075 0.000 2.072 584 E HA -0.233 4.118 4.350 0.002 0.000 0.191 584 E C 1.798 178.422 176.600 0.041 0.000 0.985 584 E CA 1.274 57.720 56.400 0.077 0.000 0.801 584 E CB -0.345 29.413 29.700 0.096 0.000 0.750 584 E HN 0.701 nan 8.360 nan 0.000 0.452 585 Y N -0.454 119.761 120.300 -0.141 0.000 2.128 585 Y HA -0.240 4.311 4.550 0.002 0.000 0.284 585 Y C 1.366 177.043 175.900 -0.371 0.000 1.154 585 Y CA 1.886 59.801 58.100 -0.308 0.000 1.149 585 Y CB -0.052 38.128 38.460 -0.466 0.000 0.976 585 Y HN 0.074 nan 8.280 nan 0.000 0.505 586 F N -0.200 119.846 119.950 0.161 0.000 2.727 586 F HA 0.129 4.657 4.527 0.002 0.000 0.302 586 F C 1.944 177.787 175.800 0.072 0.000 1.097 586 F CA 0.419 58.491 58.000 0.121 0.000 1.330 586 F CB -0.262 38.788 39.000 0.085 0.000 1.084 586 F HN 0.048 nan 8.300 nan 0.000 0.578 587 E N 1.815 122.119 120.200 0.173 0.000 2.097 587 E HA -0.184 4.167 4.350 0.002 0.000 0.196 587 E C -0.726 175.954 176.600 0.134 0.000 1.000 587 E CA 1.796 58.276 56.400 0.134 0.000 0.804 587 E CB -1.187 28.569 29.700 0.093 0.000 0.740 587 E HN 0.164 nan 8.360 nan 0.000 0.454 588 P HA -0.108 nan 4.420 nan 0.000 0.217 588 P C 1.430 178.847 177.300 0.196 0.000 1.150 588 P CA 0.856 64.028 63.100 0.120 0.000 0.832 588 P CB -0.061 31.674 31.700 0.059 0.000 0.787 589 L N -0.188 121.175 121.223 0.233 0.000 2.027 589 L HA -0.074 4.268 4.340 0.002 0.000 0.206 589 L C 2.552 179.615 176.870 0.322 0.000 1.074 589 L CA 1.758 56.789 54.840 0.319 0.000 0.745 589 L CB -0.852 41.438 42.059 0.386 0.000 0.898 589 L HN -0.244 nan 8.230 nan 0.000 0.433 590 R N -0.853 119.793 120.500 0.243 0.000 2.083 590 R HA -0.165 4.176 4.340 0.002 0.000 0.237 590 R C 2.062 178.452 176.300 0.150 0.000 1.137 590 R CA 2.206 58.410 56.100 0.173 0.000 0.951 590 R CB -0.451 29.927 30.300 0.131 0.000 0.851 590 R HN 0.358 nan 8.270 nan 0.000 0.434 591 V N -0.166 119.843 119.914 0.158 0.000 2.295 591 V HA -0.264 3.857 4.120 0.002 0.000 0.246 591 V C 1.955 178.137 176.094 0.146 0.000 1.049 591 V CA 2.092 64.469 62.300 0.128 0.000 1.024 591 V CB -0.711 31.187 31.823 0.125 0.000 0.648 591 V HN 0.574 nan 8.190 nan 0.000 0.447 592 W N 0.148 121.476 121.300 0.047 0.000 2.358 592 W HA -0.182 4.479 4.660 0.002 0.000 0.303 592 W C 2.147 178.661 176.519 -0.008 0.000 1.208 592 W CA 1.698 59.065 57.345 0.037 0.000 1.274 592 W CB -0.244 29.257 29.460 0.069 0.000 1.138 592 W HN 0.199 nan 8.180 nan 0.000 0.515 593 L N 1.231 122.546 121.223 0.154 0.000 2.056 593 L HA -0.101 4.240 4.340 0.002 0.000 0.207 593 L C 2.250 179.001 176.870 -0.198 0.000 1.078 593 L CA 2.142 56.928 54.840 -0.091 0.000 0.749 593 L CB -1.125 41.053 42.059 0.199 0.000 0.901 593 L HN 0.061 nan 8.230 nan 0.000 0.433 594 E N -0.539 119.611 120.200 -0.084 0.000 2.085 594 E HA -0.255 4.097 4.350 0.002 0.000 0.194 594 E C 2.126 178.630 176.600 -0.159 0.000 0.994 594 E CA 1.271 57.618 56.400 -0.087 0.000 0.801 594 E CB -0.272 29.407 29.700 -0.035 0.000 0.743 594 E HN 0.640 nan 8.360 nan 0.000 0.453 595 A N 1.050 123.743 122.820 -0.212 0.000 1.930 595 A HA -0.206 4.115 4.320 0.002 0.000 0.217 595 A C 2.022 179.390 177.584 -0.361 0.000 1.175 595 A CA 1.571 53.461 52.037 -0.245 0.000 0.627 595 A CB -0.294 18.576 19.000 -0.216 0.000 0.815 595 A HN 0.124 nan 8.150 nan 0.000 0.443 596 E N 0.550 120.378 120.200 -0.620 0.000 2.107 596 E HA -0.134 4.217 4.350 0.002 0.000 0.191 596 E C 1.755 178.126 176.600 -0.382 0.000 0.982 596 E CA 1.386 57.369 56.400 -0.695 0.000 0.809 596 E CB -0.196 28.661 29.700 -1.406 0.000 0.756 596 E HN 0.533 nan 8.360 nan 0.000 0.459 597 N N 0.056 118.582 118.700 -0.290 0.000 2.188 597 N HA -0.099 4.642 4.740 0.002 0.000 0.184 597 N C 1.826 177.234 175.510 -0.170 0.000 1.018 597 N CA 1.096 54.046 53.050 -0.168 0.000 0.858 597 N CB -0.148 38.291 38.487 -0.081 0.000 0.989 597 N HN 0.278 nan 8.380 nan 0.000 0.426 598 I N 1.097 121.572 120.570 -0.159 0.000 2.252 598 I HA -0.227 3.944 4.170 0.002 0.000 0.245 598 I C 2.396 178.435 176.117 -0.131 0.000 1.102 598 I CA 0.948 62.173 61.300 -0.125 0.000 1.385 598 I CB -0.145 37.793 38.000 -0.104 0.000 1.064 598 I HN 0.096 nan 8.210 nan 0.000 0.414 599 K N 0.882 121.188 120.400 -0.157 0.000 2.113 599 K HA -0.190 4.131 4.320 0.002 0.000 0.208 599 K C 1.405 177.923 176.600 -0.136 0.000 1.047 599 K CA 1.556 57.763 56.287 -0.134 0.000 0.928 599 K CB -0.007 32.401 32.500 -0.153 0.000 0.716 599 K HN 0.336 nan 8.250 nan 0.000 0.446 600 N N 0.909 119.489 118.700 -0.200 0.000 2.230 600 N HA -0.060 4.681 4.740 0.002 0.000 0.202 600 N C -0.398 174.945 175.510 -0.278 0.000 1.119 600 N CA 0.109 52.994 53.050 -0.275 0.000 0.851 600 N CB 0.332 38.522 38.487 -0.496 0.000 0.990 600 N HN 0.206 nan 8.380 nan 0.000 0.497 601 N N 0.820 119.412 118.700 -0.180 0.000 2.727 601 N HA -0.169 4.572 4.740 0.002 0.000 0.249 601 N C -1.073 174.362 175.510 -0.125 0.000 1.048 601 N CA 0.200 53.178 53.050 -0.119 0.000 0.714 601 N CB -1.460 36.982 38.487 -0.074 0.000 0.959 601 N HN -0.080 nan 8.380 nan 0.000 0.544 602 V N 1.714 121.523 119.914 -0.175 0.000 2.508 602 V HA 0.045 4.166 4.120 0.002 0.000 0.281 602 V C 1.002 177.100 176.094 0.008 0.000 1.041 602 V CA -0.356 61.860 62.300 -0.141 0.000 1.016 602 V CB 0.719 32.434 31.823 -0.180 0.000 0.984 602 V HN 0.461 nan 8.190 nan 0.000 0.478 603 H N 5.800 124.869 119.070 -0.002 0.000 2.803 603 H HA 0.328 4.885 4.556 0.002 0.000 0.330 603 H C -0.448 174.932 175.328 0.088 0.000 1.057 603 H CA -0.182 55.889 56.048 0.038 0.000 1.458 603 H CB 0.411 30.207 29.762 0.056 0.000 1.470 603 H HN 0.411 nan 8.280 nan 0.000 0.560 604 I N 4.731 125.027 120.570 -0.458 0.000 2.404 604 I HA 0.464 4.635 4.170 0.002 0.000 0.293 604 I C 0.974 176.856 176.117 -0.392 0.000 0.992 604 I CA 0.314 61.467 61.300 -0.246 0.000 1.149 604 I CB 0.772 38.684 38.000 -0.146 0.000 1.315 604 I HN 0.968 nan 8.210 nan 0.000 0.446 605 G N 5.590 114.316 108.800 -0.122 0.000 2.661 605 G HA2 -0.037 3.924 3.960 0.002 0.000 0.685 605 G HA3 -0.037 3.924 3.960 0.002 0.000 0.685 605 G C -1.675 173.300 174.900 0.126 0.000 1.298 605 G CA -0.497 44.442 45.100 -0.268 0.000 0.855 605 G HN 0.923 nan 8.290 nan 0.000 0.560 606 W N -1.012 120.303 121.300 0.026 0.000 3.217 606 W HA 0.741 5.402 4.660 0.002 0.000 0.323 606 W C 0.417 176.979 176.519 0.072 0.000 1.216 606 W CA -0.769 56.635 57.345 0.098 0.000 1.194 606 W CB 0.428 29.942 29.460 0.090 0.000 1.397 606 W HN 1.137 nan 8.180 nan 0.000 0.537 607 T N -0.672 114.054 114.554 0.287 0.000 2.813 607 T HA 0.359 4.710 4.350 0.002 0.000 0.297 607 T C 0.313 175.158 174.700 0.242 0.000 1.036 607 T CA -0.307 61.898 62.100 0.175 0.000 1.044 607 T CB 0.728 69.668 68.868 0.119 0.000 0.993 607 T HN 0.550 nan 8.240 nan 0.000 0.535 608 T N 2.624 117.272 114.554 0.156 0.000 2.888 608 T HA 0.222 4.573 4.350 0.002 0.000 0.301 608 T C 0.726 175.502 174.700 0.128 0.000 1.001 608 T CA -0.254 61.943 62.100 0.160 0.000 1.147 608 T CB 0.655 69.584 68.868 0.102 0.000 0.931 608 T HN 0.808 nan 8.240 nan 0.000 0.541 609 S N 2.435 118.211 115.700 0.125 0.000 2.568 609 S HA 0.030 4.501 4.470 0.002 0.000 0.282 609 S C 0.997 175.615 174.600 0.030 0.000 1.338 609 S CA -0.566 57.668 58.200 0.056 0.000 1.045 609 S CB 0.112 63.330 63.200 0.030 0.000 0.873 609 S HN 0.640 nan 8.310 nan 0.000 0.516 610 N N 2.806 121.501 118.700 -0.008 0.000 2.234 610 N HA 0.142 4.883 4.740 0.002 0.000 0.227 610 N C 0.089 175.569 175.510 -0.051 0.000 1.151 610 N CA -0.264 52.778 53.050 -0.014 0.000 0.865 610 N CB 0.538 39.017 38.487 -0.014 0.000 1.066 610 N HN 0.475 nan 8.380 nan 0.000 0.515 611 K N 0.165 120.510 120.400 -0.091 0.000 2.404 611 K HA 0.135 4.456 4.320 0.002 0.000 0.194 611 K C 0.044 176.550 176.600 -0.156 0.000 1.023 611 K CA -0.003 56.181 56.287 -0.173 0.000 1.094 611 K CB 0.016 32.333 32.500 -0.305 0.000 0.841 611 K HN 0.037 nan 8.250 nan 0.000 0.523 612 c N 1.617 120.191 118.600 -0.042 0.000 2.407 612 c HA 0.366 4.937 4.570 0.002 0.000 0.328 612 c C -0.235 173.899 174.090 0.074 0.000 1.137 612 c CA -0.748 55.608 56.329 0.045 0.000 1.390 612 c CB 0.002 42.617 42.510 0.173 0.000 1.989 612 c HN 0.010 nan 8.230 nan 0.000 0.432 613 V N 6.789 126.740 119.914 0.063 0.000 2.455 613 V HA 0.269 4.390 4.120 0.002 0.000 0.273 613 V C 0.884 177.031 176.094 0.089 0.000 1.045 613 V CA 0.444 62.782 62.300 0.062 0.000 0.976 613 V CB 1.384 33.232 31.823 0.041 0.000 0.993 613 V HN 1.009 nan 8.190 nan 0.000 0.475 614 S N 0.000 115.753 115.700 0.088 0.000 2.498 614 S HA 0.000 4.471 4.470 0.002 0.000 0.327 614 S CA 0.000 58.259 58.200 0.098 0.000 1.107 614 S CB 0.000 63.256 63.200 0.093 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517