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 2x97_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 0.000 177.602 177.584 0.030 0.000 1.274 17 A CA 0.000 52.045 52.037 0.013 0.000 0.836 17 A CB 0.000 19.005 19.000 0.009 0.000 0.831 18 L N 0.412 121.659 121.223 0.040 0.000 2.209 18 L HA -0.024 4.317 4.340 0.002 0.000 0.207 18 L C 2.220 179.110 176.870 0.033 0.000 1.094 18 L CA 1.102 55.988 54.840 0.076 0.000 0.790 18 L CB -0.238 41.878 42.059 0.096 0.000 0.932 18 L HN 0.636 nan 8.230 nan 0.000 0.447 19 V N 0.621 120.542 119.914 0.012 0.000 2.343 19 V HA -0.313 3.809 4.120 0.002 0.000 0.247 19 V C 3.050 179.131 176.094 -0.023 0.000 1.051 19 V CA 2.408 64.700 62.300 -0.013 0.000 1.036 19 V CB -0.960 30.862 31.823 -0.002 0.000 0.654 19 V HN 0.547 nan 8.190 nan 0.000 0.451 20 K N -0.214 120.186 120.400 -0.001 0.000 2.103 20 K HA -0.153 4.168 4.320 0.002 0.000 0.204 20 K C 2.048 178.659 176.600 0.017 0.000 1.052 20 K CA 1.576 57.867 56.287 0.007 0.000 0.945 20 K CB -0.619 31.890 32.500 0.016 0.000 0.722 20 K HN 0.623 nan 8.250 nan 0.000 0.443 21 E N -0.080 120.139 120.200 0.032 0.000 2.077 21 E HA -0.213 4.139 4.350 0.002 0.000 0.193 21 E C 2.151 178.760 176.600 0.015 0.000 0.989 21 E CA 1.263 57.719 56.400 0.095 0.000 0.800 21 E CB 0.030 29.832 29.700 0.171 0.000 0.746 21 E HN 0.724 nan 8.360 nan 0.000 0.452 22 E N 0.259 120.315 120.200 -0.240 0.000 2.110 22 E HA -0.182 4.170 4.350 0.002 0.000 0.193 22 E C 2.081 178.541 176.600 -0.234 0.000 0.988 22 E CA 0.949 56.984 56.400 -0.608 0.000 0.804 22 E CB -0.022 29.270 29.700 -0.680 0.000 0.745 22 E HN 0.307 nan 8.360 nan 0.000 0.458 23 I N 0.779 121.289 120.570 -0.101 0.000 2.226 23 I HA -0.306 3.865 4.170 0.002 0.000 0.245 23 I C 2.533 178.667 176.117 0.029 0.000 1.100 23 I CA 1.257 62.542 61.300 -0.026 0.000 1.374 23 I CB -0.259 37.738 38.000 -0.005 0.000 1.057 23 I HN 0.181 nan 8.210 nan 0.000 0.413 24 Q N 0.540 120.385 119.800 0.076 0.000 2.124 24 Q HA -0.176 4.165 4.340 0.002 0.000 0.202 24 Q C 2.475 178.610 176.000 0.226 0.000 0.977 24 Q CA 1.654 57.557 55.803 0.167 0.000 0.850 24 Q CB -0.286 28.583 28.738 0.219 0.000 0.901 24 Q HN 0.586 nan 8.270 nan 0.000 0.429 25 A N 1.605 124.540 122.820 0.192 0.000 1.902 25 A HA -0.244 4.077 4.320 0.002 0.000 0.217 25 A C 2.015 179.652 177.584 0.089 0.000 1.181 25 A CA 1.694 53.767 52.037 0.060 0.000 0.623 25 A CB -0.456 18.642 19.000 0.163 0.000 0.818 25 A HN 0.248 nan 8.150 nan 0.000 0.443 26 K N -0.000 120.431 120.400 0.052 0.000 2.044 26 K HA -0.228 4.094 4.320 0.002 0.000 0.210 26 K C 1.847 178.451 176.600 0.006 0.000 1.049 26 K CA 1.962 58.259 56.287 0.017 0.000 0.927 26 K CB -0.215 32.287 32.500 0.003 0.000 0.713 26 K HN 0.635 nan 8.250 nan 0.000 0.443 27 E N -0.790 119.437 120.200 0.045 0.000 2.106 27 E HA -0.213 4.139 4.350 0.002 0.000 0.192 27 E C 1.861 178.494 176.600 0.055 0.000 0.984 27 E CA 1.176 57.602 56.400 0.045 0.000 0.806 27 E CB -0.227 29.516 29.700 0.073 0.000 0.750 27 E HN 0.409 nan 8.360 nan 0.000 0.458 28 Y N 1.526 121.808 120.300 -0.031 0.000 2.181 28 Y HA -0.216 4.336 4.550 0.002 0.000 0.288 28 Y C 1.863 177.665 175.900 -0.163 0.000 1.146 28 Y CA 1.430 59.498 58.100 -0.054 0.000 1.164 28 Y CB -0.148 38.274 38.460 -0.064 0.000 0.982 28 Y HN -0.059 nan 8.280 nan 0.000 0.515 29 L N -0.036 121.023 121.223 -0.273 0.000 2.056 29 L HA -0.190 4.151 4.340 0.002 0.000 0.207 29 L C 2.520 179.196 176.870 -0.324 0.000 1.078 29 L CA 1.748 56.326 54.840 -0.437 0.000 0.749 29 L CB -0.587 41.241 42.059 -0.385 0.000 0.901 29 L HN 0.247 nan 8.230 nan 0.000 0.433 30 E N 0.354 120.434 120.200 -0.199 0.000 2.085 30 E HA -0.292 4.059 4.350 0.002 0.000 0.194 30 E C 1.878 178.385 176.600 -0.154 0.000 0.994 30 E CA 1.817 58.132 56.400 -0.142 0.000 0.801 30 E CB 0.012 29.665 29.700 -0.078 0.000 0.743 30 E HN 0.415 nan 8.360 nan 0.000 0.453 31 N N -0.299 118.298 118.700 -0.171 0.000 2.106 31 N HA -0.172 4.569 4.740 0.002 0.000 0.188 31 N C 1.815 177.195 175.510 -0.218 0.000 1.029 31 N CA 0.887 53.840 53.050 -0.160 0.000 0.848 31 N CB -0.142 38.270 38.487 -0.125 0.000 1.007 31 N HN 0.101 nan 8.380 nan 0.000 0.423 32 L N 1.143 122.154 121.223 -0.354 0.000 2.046 32 L HA -0.050 4.292 4.340 0.002 0.000 0.208 32 L C 1.722 178.428 176.870 -0.274 0.000 1.077 32 L CA 1.630 56.253 54.840 -0.361 0.000 0.747 32 L CB -1.093 40.583 42.059 -0.638 0.000 0.896 32 L HN 0.275 nan 8.230 nan 0.000 0.432 33 N N 0.026 118.567 118.700 -0.266 0.000 2.094 33 N HA -0.241 4.500 4.740 0.002 0.000 0.191 33 N C 1.839 177.237 175.510 -0.188 0.000 1.023 33 N CA 1.671 54.615 53.050 -0.176 0.000 0.857 33 N CB -0.126 38.278 38.487 -0.137 0.000 1.013 33 N HN 0.421 nan 8.380 nan 0.000 0.426 34 K N 0.877 121.179 120.400 -0.162 0.000 2.097 34 K HA -0.105 4.216 4.320 0.002 0.000 0.205 34 K C 1.953 178.437 176.600 -0.195 0.000 1.050 34 K CA 0.870 57.074 56.287 -0.138 0.000 0.938 34 K CB -0.033 32.412 32.500 -0.092 0.000 0.718 34 K HN 0.269 nan 8.250 nan 0.000 0.442 35 E N 0.921 120.994 120.200 -0.212 0.000 2.072 35 E HA -0.160 4.191 4.350 0.002 0.000 0.191 35 E C 1.822 178.204 176.600 -0.362 0.000 0.985 35 E CA 0.858 57.111 56.400 -0.246 0.000 0.801 35 E CB 0.011 29.600 29.700 -0.186 0.000 0.750 35 E HN 0.185 nan 8.360 nan 0.000 0.452 36 L N 0.397 121.359 121.223 -0.436 0.000 2.046 36 L HA -0.145 4.196 4.340 0.002 0.000 0.208 36 L C 2.666 178.878 176.870 -1.097 0.000 1.077 36 L CA 1.005 55.410 54.840 -0.724 0.000 0.747 36 L CB -0.486 41.047 42.059 -0.877 0.000 0.896 36 L HN 0.266 nan 8.230 nan 0.000 0.432 37 A N 0.111 122.322 122.820 -1.015 0.000 1.883 37 A HA -0.279 4.042 4.320 0.002 0.000 0.217 37 A C 2.298 179.721 177.584 -0.268 0.000 1.186 37 A CA 2.141 53.828 52.037 -0.583 0.000 0.624 37 A CB -0.413 18.535 19.000 -0.085 0.000 0.822 37 A HN 0.225 nan 8.150 nan 0.000 0.444 38 K N -0.181 120.076 120.400 -0.238 0.000 2.057 38 K HA -0.053 4.268 4.320 0.002 0.000 0.206 38 K C 2.121 178.623 176.600 -0.163 0.000 1.050 38 K CA 1.565 57.764 56.287 -0.147 0.000 0.935 38 K CB -0.232 32.185 32.500 -0.137 0.000 0.715 38 K HN 0.455 nan 8.250 nan 0.000 0.439 39 R N -0.953 119.389 120.500 -0.263 0.000 2.115 39 R HA -0.007 4.335 4.340 0.002 0.000 0.226 39 R C 2.037 178.241 176.300 -0.160 0.000 1.100 39 R CA 1.684 57.642 56.100 -0.238 0.000 0.980 39 R CB -0.222 29.868 30.300 -0.350 0.000 0.875 39 R HN 0.185 nan 8.270 nan 0.000 0.445 40 T N 0.851 115.271 114.554 -0.223 0.000 2.857 40 T HA -0.118 4.234 4.350 0.002 0.000 0.266 40 T C 1.535 176.280 174.700 0.076 0.000 1.048 40 T CA 0.936 62.967 62.100 -0.115 0.000 1.139 40 T CB -0.317 68.387 68.868 -0.273 0.000 0.874 40 T HN 0.332 nan 8.240 nan 0.000 0.455 41 N N 1.399 120.165 118.700 0.111 0.000 2.049 41 N HA -0.164 4.578 4.740 0.002 0.000 0.198 41 N C 1.835 177.452 175.510 0.179 0.000 1.030 41 N CA 1.698 54.873 53.050 0.208 0.000 0.870 41 N CB -0.384 38.200 38.487 0.161 0.000 1.045 41 N HN 0.226 nan 8.380 nan 0.000 0.434 42 V N 1.374 121.339 119.914 0.086 0.000 2.343 42 V HA -0.162 3.960 4.120 0.002 0.000 0.247 42 V C 2.532 178.695 176.094 0.114 0.000 1.051 42 V CA 2.011 64.358 62.300 0.079 0.000 1.036 42 V CB -0.663 31.170 31.823 0.016 0.000 0.654 42 V HN 0.450 nan 8.190 nan 0.000 0.451 43 E N 0.086 120.349 120.200 0.105 0.000 2.072 43 E HA -0.198 4.154 4.350 0.002 0.000 0.191 43 E C 2.189 178.914 176.600 0.208 0.000 0.985 43 E CA 1.725 58.204 56.400 0.132 0.000 0.801 43 E CB -0.077 29.687 29.700 0.107 0.000 0.750 43 E HN 0.617 nan 8.360 nan 0.000 0.452 44 T N 1.421 116.117 114.554 0.237 0.000 2.788 44 T HA -0.117 4.235 4.350 0.002 0.000 0.268 44 T C 1.558 176.510 174.700 0.420 0.000 1.044 44 T CA 1.075 63.357 62.100 0.304 0.000 1.139 44 T CB -0.122 68.842 68.868 0.160 0.000 0.867 44 T HN 0.182 nan 8.240 nan 0.000 0.454 45 E N 1.332 121.780 120.200 0.413 0.000 2.077 45 E HA -0.078 4.273 4.350 0.002 0.000 0.193 45 E C 2.624 179.415 176.600 0.318 0.000 0.989 45 E CA 1.196 57.829 56.400 0.388 0.000 0.800 45 E CB -0.449 29.373 29.700 0.204 0.000 0.746 45 E HN 0.513 nan 8.360 nan 0.000 0.452 46 A N 1.439 124.403 122.820 0.241 0.000 1.940 46 A HA -0.113 4.208 4.320 0.002 0.000 0.219 46 A C 2.396 180.129 177.584 0.248 0.000 1.176 46 A CA 2.058 54.216 52.037 0.202 0.000 0.631 46 A CB -0.472 18.610 19.000 0.137 0.000 0.814 46 A HN 0.274 nan 8.150 nan 0.000 0.446 47 A N -1.158 121.854 122.820 0.320 0.000 1.897 47 A HA -0.117 4.204 4.320 0.002 0.000 0.215 47 A C 2.071 179.865 177.584 0.351 0.000 1.181 47 A CA 1.276 53.562 52.037 0.414 0.000 0.620 47 A CB -0.857 18.472 19.000 0.549 0.000 0.821 47 A HN 0.884 nan 8.150 nan 0.000 0.443 48 W N 1.141 122.394 121.300 -0.077 0.000 2.335 48 W HA -0.215 4.446 4.660 0.002 0.000 0.311 48 W C 2.138 178.519 176.519 -0.231 0.000 1.213 48 W CA 2.291 59.269 57.345 -0.613 0.000 1.274 48 W CB -0.620 28.524 29.460 -0.527 0.000 1.148 48 W HN 0.403 nan 8.180 nan 0.000 0.498 49 A N -0.086 122.793 122.820 0.100 0.000 1.940 49 A HA -0.290 4.032 4.320 0.002 0.000 0.219 49 A C 1.901 179.479 177.584 -0.011 0.000 1.176 49 A CA 1.893 53.952 52.037 0.036 0.000 0.631 49 A CB -1.596 17.500 19.000 0.160 0.000 0.814 49 A HN 0.554 nan 8.150 nan 0.000 0.446 50 Y N 0.486 120.749 120.300 -0.061 0.000 2.286 50 Y HA 0.129 4.680 4.550 0.002 0.000 0.293 50 Y C 2.367 178.226 175.900 -0.067 0.000 1.124 50 Y CA 1.049 59.131 58.100 -0.029 0.000 1.178 50 Y CB -0.756 37.729 38.460 0.042 0.000 1.010 50 Y HN 0.197 nan 8.280 nan 0.000 0.536 51 G N -1.183 107.535 108.800 -0.138 0.000 2.443 51 G HA2 -0.187 3.774 3.960 0.002 0.000 0.219 51 G HA3 -0.187 3.774 3.960 0.002 0.000 0.219 51 G C 1.707 176.386 174.900 -0.369 0.000 1.131 51 G CA 1.025 45.995 45.100 -0.218 0.000 0.775 51 G HN 0.423 nan 8.290 nan 0.000 0.547 52 S N -0.383 115.000 115.700 -0.528 0.000 2.478 52 S HA 0.069 4.541 4.470 0.002 0.000 0.222 52 S C 0.665 175.082 174.600 -0.305 0.000 1.008 52 S CA 0.180 58.057 58.200 -0.537 0.000 0.928 52 S CB 0.112 62.855 63.200 -0.762 0.000 0.781 52 S HN 0.427 nan 8.310 nan 0.000 0.518 53 N N 0.749 119.300 118.700 -0.250 0.000 2.827 53 N HA 0.224 4.965 4.740 0.002 0.000 0.240 53 N C -1.574 173.852 175.510 -0.139 0.000 1.352 53 N CA -0.126 52.834 53.050 -0.151 0.000 0.760 53 N CB 0.083 38.517 38.487 -0.089 0.000 1.426 53 N HN 0.012 nan 8.380 nan 0.000 0.561 54 I N 2.499 122.943 120.570 -0.210 0.000 2.421 54 I HA 0.195 4.367 4.170 0.002 0.000 0.291 54 I C 0.474 176.584 176.117 -0.011 0.000 1.089 54 I CA 0.322 61.468 61.300 -0.257 0.000 1.354 54 I CB 0.378 38.179 38.000 -0.332 0.000 1.413 54 I HN 0.522 nan 8.210 nan 0.000 0.513 55 T N -0.071 114.569 114.554 0.143 0.000 2.868 55 T HA 0.269 4.620 4.350 0.002 0.000 0.306 55 T C 0.360 175.173 174.700 0.189 0.000 1.224 55 T CA -0.857 61.323 62.100 0.134 0.000 1.012 55 T CB 1.857 70.777 68.868 0.087 0.000 1.221 55 T HN 0.332 nan 8.240 nan 0.000 0.499 56 D N 0.387 120.859 120.400 0.119 0.000 2.149 56 D HA -0.118 4.523 4.640 0.002 0.000 0.198 56 D C 1.729 178.070 176.300 0.067 0.000 0.990 56 D CA 1.700 55.753 54.000 0.089 0.000 0.839 56 D CB 0.060 40.895 40.800 0.059 0.000 0.948 56 D HN 0.863 nan 8.370 nan 0.000 0.460 57 E N 0.149 120.390 120.200 0.069 0.000 2.107 57 E HA -0.144 4.207 4.350 0.002 0.000 0.191 57 E C 1.485 178.121 176.600 0.059 0.000 0.982 57 E CA 0.750 57.182 56.400 0.052 0.000 0.809 57 E CB 0.128 29.855 29.700 0.045 0.000 0.756 57 E HN 0.079 nan 8.360 nan 0.000 0.459 58 N N 1.057 119.822 118.700 0.110 0.000 2.270 58 N HA -0.150 4.591 4.740 0.002 0.000 0.181 58 N C 1.591 177.108 175.510 0.012 0.000 1.016 58 N CA 0.925 54.057 53.050 0.136 0.000 0.870 58 N CB -0.247 38.393 38.487 0.254 0.000 0.979 58 N HN 0.371 nan 8.380 nan 0.000 0.431 59 E N 1.447 121.605 120.200 -0.070 0.000 2.033 59 E HA -0.241 4.110 4.350 0.002 0.000 0.199 59 E C 1.814 178.266 176.600 -0.246 0.000 1.011 59 E CA 1.391 57.518 56.400 -0.455 0.000 0.815 59 E CB 0.028 29.598 29.700 -0.216 0.000 0.755 59 E HN 0.199 nan 8.360 nan 0.000 0.451 60 K N 0.343 120.684 120.400 -0.099 0.000 2.044 60 K HA -0.213 4.109 4.320 0.002 0.000 0.210 60 K C 2.168 178.743 176.600 -0.041 0.000 1.049 60 K CA 1.925 58.180 56.287 -0.054 0.000 0.927 60 K CB 0.037 32.528 32.500 -0.016 0.000 0.713 60 K HN 0.025 nan 8.250 nan 0.000 0.443 61 K N 0.414 120.799 120.400 -0.025 0.000 2.057 61 K HA -0.154 4.167 4.320 0.002 0.000 0.206 61 K C 2.182 178.783 176.600 0.002 0.000 1.050 61 K CA 1.236 57.525 56.287 0.003 0.000 0.935 61 K CB -0.084 32.434 32.500 0.030 0.000 0.715 61 K HN 0.116 nan 8.250 nan 0.000 0.439 62 K N 1.168 121.545 120.400 -0.039 0.000 2.009 62 K HA -0.181 4.140 4.320 0.002 0.000 0.210 62 K C 1.662 178.251 176.600 -0.019 0.000 1.049 62 K CA 1.751 58.022 56.287 -0.027 0.000 0.929 62 K CB 0.007 32.426 32.500 -0.134 0.000 0.714 62 K HN 0.032 nan 8.250 nan 0.000 0.440 63 N N 0.883 119.541 118.700 -0.071 0.000 2.300 63 N HA -0.092 4.649 4.740 0.002 0.000 0.179 63 N C 1.478 176.999 175.510 0.018 0.000 1.016 63 N CA 1.035 54.058 53.050 -0.045 0.000 0.876 63 N CB -0.017 38.412 38.487 -0.096 0.000 0.979 63 N HN 0.355 nan 8.380 nan 0.000 0.432 64 E N 0.393 120.602 120.200 0.014 0.000 2.072 64 E HA -0.076 4.275 4.350 0.002 0.000 0.191 64 E C 1.614 178.250 176.600 0.060 0.000 0.985 64 E CA 0.638 57.062 56.400 0.039 0.000 0.801 64 E CB 0.042 29.757 29.700 0.024 0.000 0.750 64 E HN 0.230 nan 8.360 nan 0.000 0.452 65 I N 1.012 121.615 120.570 0.056 0.000 2.286 65 I HA -0.195 3.976 4.170 0.002 0.000 0.248 65 I C 2.334 178.508 176.117 0.095 0.000 1.115 65 I CA 1.080 62.418 61.300 0.064 0.000 1.392 65 I CB -1.344 36.694 38.000 0.064 0.000 1.065 65 I HN -0.037 nan 8.210 nan 0.000 0.418 66 S N 1.097 116.874 115.700 0.129 0.000 2.359 66 S HA -0.147 4.324 4.470 0.002 0.000 0.224 66 S C 2.274 177.053 174.600 0.299 0.000 1.035 66 S CA 1.493 59.821 58.200 0.213 0.000 1.018 66 S CB -0.332 63.013 63.200 0.242 0.000 0.876 66 S HN 0.563 nan 8.310 nan 0.000 0.448 67 A N 1.202 124.218 122.820 0.326 0.000 1.940 67 A HA -0.214 4.108 4.320 0.002 0.000 0.219 67 A C 2.015 179.666 177.584 0.111 0.000 1.176 67 A CA 1.984 54.206 52.037 0.307 0.000 0.631 67 A CB -0.628 18.519 19.000 0.245 0.000 0.814 67 A HN 0.688 nan 8.150 nan 0.000 0.446 68 E N -0.684 119.570 120.200 0.090 0.000 2.072 68 E HA -0.164 4.187 4.350 0.002 0.000 0.190 68 E C 1.878 178.507 176.600 0.049 0.000 0.982 68 E CA 1.206 57.638 56.400 0.053 0.000 0.803 68 E CB -0.238 29.484 29.700 0.036 0.000 0.755 68 E HN 0.410 nan 8.360 nan 0.000 0.453 69 L N 0.992 122.244 121.223 0.048 0.000 2.093 69 L HA -0.011 4.330 4.340 0.002 0.000 0.208 69 L C 2.287 179.180 176.870 0.039 0.000 1.085 69 L CA 2.085 56.957 54.840 0.053 0.000 0.755 69 L CB -0.816 41.267 42.059 0.040 0.000 0.904 69 L HN 0.227 nan 8.230 nan 0.000 0.435 70 A N -0.495 122.283 122.820 -0.071 0.000 1.883 70 A HA -0.299 4.022 4.320 0.002 0.000 0.217 70 A C 2.469 179.958 177.584 -0.159 0.000 1.186 70 A CA 2.126 54.002 52.037 -0.269 0.000 0.624 70 A CB -0.671 17.838 19.000 -0.818 0.000 0.822 70 A HN 0.496 nan 8.150 nan 0.000 0.444 71 K N -1.701 118.651 120.400 -0.080 0.000 2.063 71 K HA -0.183 4.138 4.320 0.002 0.000 0.208 71 K C 1.783 178.396 176.600 0.022 0.000 1.048 71 K CA 1.759 58.032 56.287 -0.024 0.000 0.928 71 K CB -0.326 32.185 32.500 0.018 0.000 0.713 71 K HN 0.444 nan 8.250 nan 0.000 0.442 72 F N 1.131 121.040 119.950 -0.070 0.000 2.134 72 F HA -0.213 4.316 4.527 0.002 0.000 0.299 72 F C 1.943 177.706 175.800 -0.062 0.000 1.097 72 F CA 1.319 59.282 58.000 -0.060 0.000 1.264 72 F CB -0.076 38.881 39.000 -0.071 0.000 1.001 72 F HN 0.008 nan 8.300 nan 0.000 0.479 73 M N 0.380 119.923 119.600 -0.096 0.000 2.159 73 M HA -0.185 4.296 4.480 0.002 0.000 0.263 73 M C 2.039 178.231 176.300 -0.181 0.000 1.063 73 M CA 1.424 56.622 55.300 -0.169 0.000 1.110 73 M CB -1.306 31.251 32.600 -0.073 0.000 1.374 73 M HN 0.159 nan 8.290 nan 0.000 0.411 74 K N 0.130 120.445 120.400 -0.142 0.000 2.032 74 K HA -0.216 4.106 4.320 0.002 0.000 0.209 74 K C 2.026 178.551 176.600 -0.125 0.000 1.048 74 K CA 1.593 57.814 56.287 -0.110 0.000 0.927 74 K CB -0.228 32.221 32.500 -0.085 0.000 0.712 74 K HN 0.422 nan 8.250 nan 0.000 0.441 75 E N 0.622 120.714 120.200 -0.179 0.000 2.085 75 E HA -0.182 4.169 4.350 0.002 0.000 0.194 75 E C 1.946 178.420 176.600 -0.210 0.000 0.994 75 E CA 1.162 57.448 56.400 -0.189 0.000 0.801 75 E CB 0.152 29.713 29.700 -0.230 0.000 0.743 75 E HN 0.024 nan 8.360 nan 0.000 0.453 76 V N 1.067 120.769 119.914 -0.352 0.000 2.295 76 V HA -0.285 3.836 4.120 0.002 0.000 0.246 76 V C 2.404 178.464 176.094 -0.056 0.000 1.049 76 V CA 1.890 64.053 62.300 -0.229 0.000 1.024 76 V CB -0.741 30.889 31.823 -0.322 0.000 0.648 76 V HN 0.446 nan 8.190 nan 0.000 0.447 77 A N -0.770 122.009 122.820 -0.068 0.000 1.930 77 A HA -0.216 4.105 4.320 0.002 0.000 0.217 77 A C 2.558 180.161 177.584 0.032 0.000 1.175 77 A CA 2.127 54.162 52.037 -0.004 0.000 0.627 77 A CB -0.710 18.280 19.000 -0.018 0.000 0.815 77 A HN 0.504 nan 8.150 nan 0.000 0.443 78 S N 0.007 115.708 115.700 0.002 0.000 2.348 78 S HA -0.194 4.277 4.470 0.002 0.000 0.221 78 S C 1.624 176.249 174.600 0.041 0.000 1.033 78 S CA 1.744 59.951 58.200 0.012 0.000 1.010 78 S CB -0.541 62.650 63.200 -0.014 0.000 0.891 78 S HN 0.540 nan 8.310 nan 0.000 0.442 79 D N 0.922 121.354 120.400 0.054 0.000 2.221 79 D HA -0.079 4.562 4.640 0.002 0.000 0.204 79 D C 2.244 178.672 176.300 0.214 0.000 0.982 79 D CA 1.649 55.709 54.000 0.099 0.000 0.857 79 D CB -0.913 39.981 40.800 0.157 0.000 0.934 79 D HN 0.743 nan 8.370 nan 0.000 0.475 80 T N -1.431 113.292 114.554 0.282 0.000 2.849 80 T HA -0.190 4.162 4.350 0.002 0.000 0.270 80 T C 1.960 176.886 174.700 0.377 0.000 1.066 80 T CA 1.967 64.337 62.100 0.449 0.000 1.130 80 T CB -0.849 68.246 68.868 0.379 0.000 0.864 80 T HN 0.215 nan 8.240 nan 0.000 0.481 81 T N -0.417 114.257 114.554 0.200 0.000 3.051 81 T HA 0.062 4.413 4.350 0.002 0.000 0.269 81 T C 1.684 176.374 174.700 -0.017 0.000 1.127 81 T CA 0.722 62.872 62.100 0.084 0.000 1.107 81 T CB -0.495 68.391 68.868 0.030 0.000 0.898 81 T HN 0.522 nan 8.240 nan 0.000 0.517 82 K N -0.119 120.240 120.400 -0.068 0.000 2.432 82 K HA 0.216 4.538 4.320 0.002 0.000 0.196 82 K C -0.393 175.929 176.600 -0.463 0.000 1.038 82 K CA 0.283 56.394 56.287 -0.293 0.000 0.986 82 K CB 0.017 32.260 32.500 -0.429 0.000 0.782 82 K HN 0.388 nan 8.250 nan 0.000 0.485 83 F N 1.305 121.198 119.950 -0.095 0.000 2.436 83 F HA 0.187 4.715 4.527 0.002 0.000 0.340 83 F C 0.652 176.288 175.800 -0.274 0.000 1.113 83 F CA -1.053 56.859 58.000 -0.146 0.000 1.022 83 F CB 1.444 40.286 39.000 -0.264 0.000 1.128 83 F HN -0.216 nan 8.300 nan 0.000 0.466 84 Q N 4.814 124.531 119.800 -0.138 0.000 2.903 84 Q HA -0.058 4.284 4.340 0.002 0.000 0.295 84 Q C 1.334 176.820 176.000 -0.855 0.000 1.157 84 Q CA -0.067 55.510 55.803 -0.375 0.000 0.930 84 Q CB -0.425 28.196 28.738 -0.195 0.000 1.571 84 Q HN 0.907 nan 8.270 nan 0.000 0.440 85 W N -0.026 120.690 121.300 -0.973 0.000 2.374 85 W HA -0.125 4.536 4.660 0.003 0.000 0.288 85 W C 0.732 176.772 176.519 -0.799 0.000 1.218 85 W CA 0.239 56.738 57.345 -1.411 0.000 1.245 85 W CB -0.469 28.205 29.460 -1.311 0.000 1.126 85 W HN 0.244 nan 8.180 nan 0.000 0.545 86 R N 0.871 120.709 120.500 -1.103 0.000 2.237 86 R HA -0.048 4.294 4.340 0.002 0.000 0.219 86 R C 2.110 178.189 176.300 -0.369 0.000 1.080 86 R CA 1.407 57.067 56.100 -0.733 0.000 0.995 86 R CB -0.242 29.542 30.300 -0.861 0.000 0.875 86 R HN 0.055 nan 8.270 nan 0.000 0.462 87 S N -0.316 115.152 115.700 -0.385 0.000 2.593 87 S HA 0.080 4.552 4.470 0.002 0.000 0.217 87 S C -0.177 174.462 174.600 0.065 0.000 0.966 87 S CA 0.028 58.138 58.200 -0.149 0.000 0.914 87 S CB 0.046 63.173 63.200 -0.122 0.000 0.776 87 S HN 0.132 nan 8.310 nan 0.000 0.523 88 Y N 2.398 122.704 120.300 0.009 0.000 2.330 88 Y HA 0.231 4.782 4.550 0.002 0.000 0.341 88 Y C 1.771 177.702 175.900 0.052 0.000 1.278 88 Y CA -1.372 56.757 58.100 0.048 0.000 1.453 88 Y CB 0.281 38.797 38.460 0.094 0.000 1.342 88 Y HN 0.026 nan 8.280 nan 0.000 0.590 89 Q N 0.352 120.279 119.800 0.212 0.000 2.137 89 Q HA -0.054 4.287 4.340 0.002 0.000 0.198 89 Q C 0.685 176.762 176.000 0.129 0.000 0.960 89 Q CA 0.647 56.526 55.803 0.126 0.000 0.847 89 Q CB -0.210 28.572 28.738 0.073 0.000 0.915 89 Q HN 0.544 nan 8.270 nan 0.000 0.448 90 S N 1.669 117.457 115.700 0.148 0.000 2.430 90 S HA 0.017 4.488 4.470 0.002 0.000 0.282 90 S C 1.030 175.734 174.600 0.173 0.000 1.186 90 S CA -0.364 57.918 58.200 0.136 0.000 1.060 90 S CB 0.474 63.747 63.200 0.121 0.000 0.966 90 S HN 0.059 nan 8.310 nan 0.000 0.501 91 E N 3.767 124.047 120.200 0.134 0.000 2.160 91 E HA -0.169 4.183 4.350 0.002 0.000 0.195 91 E C 1.336 178.027 176.600 0.151 0.000 0.991 91 E CA 1.279 57.759 56.400 0.133 0.000 0.810 91 E CB -0.191 29.562 29.700 0.087 0.000 0.742 91 E HN 0.874 nan 8.360 nan 0.000 0.466 92 D N 0.400 120.887 120.400 0.144 0.000 2.117 92 D HA -0.090 4.551 4.640 0.002 0.000 0.198 92 D C 2.108 178.522 176.300 0.191 0.000 0.982 92 D CA 0.739 54.844 54.000 0.176 0.000 0.828 92 D CB -0.078 40.814 40.800 0.154 0.000 0.967 92 D HN 0.091 nan 8.370 nan 0.000 0.464 93 L N -0.000 121.339 121.223 0.194 0.000 2.056 93 L HA -0.091 4.251 4.340 0.002 0.000 0.207 93 L C 2.552 179.633 176.870 0.353 0.000 1.078 93 L CA 0.996 55.985 54.840 0.248 0.000 0.749 93 L CB -0.367 41.893 42.059 0.335 0.000 0.901 93 L HN 0.013 nan 8.230 nan 0.000 0.433 94 K N -0.074 120.543 120.400 0.360 0.000 2.097 94 K HA -0.222 4.099 4.320 0.002 0.000 0.206 94 K C 2.240 178.950 176.600 0.183 0.000 1.049 94 K CA 1.271 57.789 56.287 0.385 0.000 0.933 94 K CB -0.204 32.525 32.500 0.382 0.000 0.717 94 K HN 0.201 nan 8.250 nan 0.000 0.442 95 R N 1.556 122.154 120.500 0.164 0.000 2.081 95 R HA -0.174 4.167 4.340 0.002 0.000 0.235 95 R C 2.147 178.467 176.300 0.033 0.000 1.131 95 R CA 1.592 57.763 56.100 0.119 0.000 0.960 95 R CB 0.024 30.431 30.300 0.178 0.000 0.856 95 R HN 0.277 nan 8.270 nan 0.000 0.436 96 Q N -0.733 119.049 119.800 -0.030 0.000 2.050 96 Q HA -0.167 4.175 4.340 0.002 0.000 0.202 96 Q C 1.996 177.775 176.000 -0.368 0.000 0.980 96 Q CA 1.688 57.325 55.803 -0.277 0.000 0.840 96 Q CB -0.151 28.344 28.738 -0.405 0.000 0.898 96 Q HN 0.306 nan 8.270 nan 0.000 0.424 97 F N 1.254 120.954 119.950 -0.417 0.000 2.134 97 F HA -0.180 4.348 4.527 0.002 0.000 0.299 97 F C 2.417 177.641 175.800 -0.960 0.000 1.097 97 F CA 1.329 58.877 58.000 -0.753 0.000 1.264 97 F CB -0.102 38.231 39.000 -1.111 0.000 1.001 97 F HN -0.039 nan 8.300 nan 0.000 0.479 98 K N 0.172 120.113 120.400 -0.765 0.000 2.032 98 K HA -0.214 4.108 4.320 0.002 0.000 0.209 98 K C 2.301 178.762 176.600 -0.232 0.000 1.048 98 K CA 1.258 57.244 56.287 -0.502 0.000 0.927 98 K CB -0.415 31.980 32.500 -0.174 0.000 0.712 98 K HN 0.207 nan 8.250 nan 0.000 0.441 99 A N 1.226 123.939 122.820 -0.179 0.000 1.927 99 A HA -0.204 4.118 4.320 0.002 0.000 0.220 99 A C 2.050 179.552 177.584 -0.137 0.000 1.185 99 A CA 1.694 53.653 52.037 -0.130 0.000 0.639 99 A CB -0.768 18.153 19.000 -0.132 0.000 0.820 99 A HN 0.342 nan 8.150 nan 0.000 0.451 100 L N -0.108 120.998 121.223 -0.194 0.000 2.275 100 L HA -0.108 4.234 4.340 0.002 0.000 0.215 100 L C 2.742 179.558 176.870 -0.091 0.000 1.119 100 L CA 1.482 56.231 54.840 -0.151 0.000 0.790 100 L CB -0.793 41.146 42.059 -0.201 0.000 0.919 100 L HN 0.663 nan 8.230 nan 0.000 0.443 101 T N -3.302 111.197 114.554 -0.092 0.000 3.035 101 T HA -0.095 4.256 4.350 0.002 0.000 0.268 101 T C 0.947 175.649 174.700 0.003 0.000 1.109 101 T CA 0.319 62.412 62.100 -0.012 0.000 1.119 101 T CB -0.206 68.691 68.868 0.047 0.000 0.900 101 T HN 0.109 nan 8.240 nan 0.000 0.503 102 K N 1.282 121.681 120.400 -0.002 0.000 2.219 102 K HA 0.402 4.723 4.320 0.002 0.000 0.280 102 K C 0.603 177.217 176.600 0.024 0.000 1.104 102 K CA -0.252 56.059 56.287 0.039 0.000 0.925 102 K CB 0.613 33.148 32.500 0.058 0.000 1.261 102 K HN 0.236 nan 8.250 nan 0.000 0.445 103 L N 1.865 123.107 121.223 0.032 0.000 2.270 103 L HA 0.017 4.358 4.340 0.002 0.000 0.210 103 L C 1.440 178.328 176.870 0.030 0.000 1.104 103 L CA 0.690 55.538 54.840 0.013 0.000 0.804 103 L CB -0.495 41.569 42.059 0.008 0.000 0.937 103 L HN 1.035 nan 8.230 nan 0.000 0.450 104 G N -0.008 108.826 108.800 0.057 0.000 2.634 104 G HA2 -0.417 3.545 3.960 0.002 0.000 0.309 104 G HA3 -0.417 3.545 3.960 0.002 0.000 0.309 104 G C 0.467 175.466 174.900 0.165 0.000 1.265 104 G CA 0.754 45.877 45.100 0.038 0.000 0.998 104 G HN 0.101 nan 8.290 nan 0.000 0.551 105 Y N 0.885 121.250 120.300 0.108 0.000 2.256 105 Y HA 0.091 4.642 4.550 0.002 0.000 0.288 105 Y C 3.292 179.283 175.900 0.152 0.000 1.155 105 Y CA 1.507 59.716 58.100 0.182 0.000 1.203 105 Y CB -1.316 37.334 38.460 0.317 0.000 0.980 105 Y HN 0.697 nan 8.280 nan 0.000 0.530 106 A N -0.145 122.760 122.820 0.141 0.000 2.216 106 A HA 0.082 4.403 4.320 0.002 0.000 0.214 106 A C 2.372 179.901 177.584 -0.091 0.000 1.160 106 A CA 1.077 52.993 52.037 -0.201 0.000 0.725 106 A CB -0.873 18.010 19.000 -0.196 0.000 0.784 106 A HN 0.337 nan 8.150 nan 0.000 0.472 107 A N -0.591 122.244 122.820 0.024 0.000 2.119 107 A HA 0.291 4.613 4.320 0.002 0.000 0.217 107 A C 0.976 178.576 177.584 0.027 0.000 1.153 107 A CA 0.079 52.127 52.037 0.019 0.000 0.692 107 A CB -0.333 18.693 19.000 0.042 0.000 0.799 107 A HN 0.462 nan 8.150 nan 0.000 0.458 108 L N 0.727 121.991 121.223 0.068 0.000 2.439 108 L HA 0.192 4.534 4.340 0.002 0.000 0.269 108 L C -2.129 174.776 176.870 0.058 0.000 1.179 108 L CA -1.956 52.932 54.840 0.080 0.000 0.828 108 L CB 0.395 42.548 42.059 0.156 0.000 1.106 108 L HN 0.043 nan 8.230 nan 0.000 0.467 109 P HA -0.104 nan 4.420 nan 0.000 0.264 109 P C 0.484 177.825 177.300 0.069 0.000 1.179 109 P CA 0.205 63.326 63.100 0.036 0.000 0.763 109 P CB 0.477 32.192 31.700 0.025 0.000 0.806 110 E N 2.212 122.445 120.200 0.056 0.000 2.113 110 E HA -0.365 3.987 4.350 0.002 0.000 0.210 110 E C 0.875 177.539 176.600 0.106 0.000 1.040 110 E CA 2.073 58.523 56.400 0.084 0.000 0.847 110 E CB -0.188 29.542 29.700 0.051 0.000 0.755 110 E HN 0.410 nan 8.360 nan 0.000 0.459 111 D N 0.264 120.701 120.400 0.062 0.000 2.144 111 D HA -0.131 4.511 4.640 0.002 0.000 0.200 111 D C 1.596 177.918 176.300 0.037 0.000 0.978 111 D CA 1.100 55.126 54.000 0.044 0.000 0.833 111 D CB -0.361 40.453 40.800 0.023 0.000 0.961 111 D HN 0.272 nan 8.370 nan 0.000 0.470 112 D N -0.583 119.843 120.400 0.043 0.000 2.149 112 D HA -0.137 4.504 4.640 0.002 0.000 0.201 112 D C 1.876 178.192 176.300 0.026 0.000 0.972 112 D CA 0.473 54.484 54.000 0.018 0.000 0.835 112 D CB -0.317 40.493 40.800 0.016 0.000 0.966 112 D HN 0.257 nan 8.370 nan 0.000 0.476 113 Y N 1.716 121.999 120.300 -0.029 0.000 2.181 113 Y HA -0.141 4.411 4.550 0.002 0.000 0.288 113 Y C 2.254 178.142 175.900 -0.020 0.000 1.146 113 Y CA 1.575 59.661 58.100 -0.023 0.000 1.164 113 Y CB -0.385 38.082 38.460 0.011 0.000 0.982 113 Y HN -0.058 nan 8.280 nan 0.000 0.515 114 A N 0.037 122.861 122.820 0.007 0.000 1.902 114 A HA -0.241 4.080 4.320 0.002 0.000 0.217 114 A C 2.239 179.752 177.584 -0.120 0.000 1.181 114 A CA 1.865 53.861 52.037 -0.069 0.000 0.623 114 A CB -0.933 18.075 19.000 0.013 0.000 0.818 114 A HN 0.636 nan 8.150 nan 0.000 0.443 115 E N -0.605 119.544 120.200 -0.084 0.000 2.077 115 E HA -0.216 4.135 4.350 0.002 0.000 0.193 115 E C 1.911 178.436 176.600 -0.126 0.000 0.989 115 E CA 1.419 57.770 56.400 -0.082 0.000 0.800 115 E CB -0.207 29.461 29.700 -0.054 0.000 0.746 115 E HN 0.458 nan 8.360 nan 0.000 0.452 116 L N 0.953 122.062 121.223 -0.191 0.000 2.017 116 L HA -0.160 4.181 4.340 0.002 0.000 0.208 116 L C 2.159 178.881 176.870 -0.248 0.000 1.073 116 L CA 1.564 56.260 54.840 -0.240 0.000 0.745 116 L CB -0.501 41.340 42.059 -0.365 0.000 0.894 116 L HN 0.233 nan 8.230 nan 0.000 0.432 117 L N -0.524 120.490 121.223 -0.349 0.000 2.042 117 L HA -0.247 4.095 4.340 0.002 0.000 0.210 117 L C 2.209 178.989 176.870 -0.150 0.000 1.076 117 L CA 1.501 56.180 54.840 -0.268 0.000 0.749 117 L CB -0.851 41.007 42.059 -0.335 0.000 0.893 117 L HN 0.317 nan 8.230 nan 0.000 0.432 118 D N -0.960 119.365 120.400 -0.125 0.000 2.219 118 D HA -0.120 4.521 4.640 0.002 0.000 0.205 118 D C 2.155 178.428 176.300 -0.045 0.000 0.970 118 D CA 1.228 55.184 54.000 -0.074 0.000 0.851 118 D CB -0.033 40.735 40.800 -0.055 0.000 0.943 118 D HN 0.267 nan 8.370 nan 0.000 0.488 119 T N 1.024 115.545 114.554 -0.054 0.000 2.701 119 T HA -0.044 4.307 4.350 0.002 0.000 0.263 119 T C 2.249 176.933 174.700 -0.028 0.000 1.040 119 T CA 0.530 62.615 62.100 -0.024 0.000 1.147 119 T CB -0.245 68.613 68.868 -0.016 0.000 0.865 119 T HN 0.108 nan 8.240 nan 0.000 0.426 120 L N 1.577 122.765 121.223 -0.058 0.000 2.042 120 L HA -0.153 4.188 4.340 0.002 0.000 0.210 120 L C 2.897 179.767 176.870 0.001 0.000 1.076 120 L CA 1.638 56.440 54.840 -0.063 0.000 0.749 120 L CB -0.837 41.195 42.059 -0.046 0.000 0.893 120 L HN 0.376 nan 8.230 nan 0.000 0.432 121 S N -0.232 115.476 115.700 0.014 0.000 2.406 121 S HA -0.053 4.419 4.470 0.002 0.000 0.228 121 S C 2.171 176.847 174.600 0.126 0.000 1.020 121 S CA 0.620 58.876 58.200 0.093 0.000 0.965 121 S CB -0.393 62.794 63.200 -0.023 0.000 0.798 121 S HN 0.355 nan 8.310 nan 0.000 0.488 122 A N 2.458 125.319 122.820 0.070 0.000 1.902 122 A HA 0.042 4.363 4.320 0.002 0.000 0.217 122 A C 2.356 179.995 177.584 0.091 0.000 1.181 122 A CA 1.690 53.775 52.037 0.080 0.000 0.623 122 A CB -0.775 18.258 19.000 0.054 0.000 0.818 122 A HN 0.548 nan 8.150 nan 0.000 0.443 123 M N -1.340 118.302 119.600 0.070 0.000 2.086 123 M HA -0.156 4.326 4.480 0.002 0.000 0.261 123 M C 2.261 178.620 176.300 0.098 0.000 1.067 123 M CA 2.058 57.403 55.300 0.076 0.000 1.116 123 M CB -0.436 32.184 32.600 0.033 0.000 1.348 123 M HN 0.640 nan 8.290 nan 0.000 0.407 124 E N 0.382 120.632 120.200 0.084 0.000 2.107 124 E HA -0.154 4.198 4.350 0.002 0.000 0.191 124 E C 2.002 178.723 176.600 0.203 0.000 0.982 124 E CA 1.558 58.024 56.400 0.109 0.000 0.809 124 E CB 0.143 29.905 29.700 0.104 0.000 0.756 124 E HN 0.493 nan 8.360 nan 0.000 0.459 125 S N 0.488 116.302 115.700 0.191 0.000 2.387 125 S HA -0.181 4.291 4.470 0.002 0.000 0.226 125 S C 1.946 176.629 174.600 0.138 0.000 1.026 125 S CA 1.033 59.326 58.200 0.155 0.000 0.972 125 S CB -0.567 62.745 63.200 0.187 0.000 0.814 125 S HN 0.334 nan 8.310 nan 0.000 0.477 126 N N 0.956 119.737 118.700 0.134 0.000 2.036 126 N HA -0.212 4.529 4.740 0.002 0.000 0.195 126 N C 1.627 177.210 175.510 0.122 0.000 1.037 126 N CA 1.875 54.986 53.050 0.102 0.000 0.855 126 N CB -0.521 38.018 38.487 0.087 0.000 1.033 126 N HN 0.505 nan 8.380 nan 0.000 0.423 127 F N 1.588 121.565 119.950 0.045 0.000 2.069 127 F HA -0.139 4.390 4.527 0.002 0.000 0.298 127 F C 2.484 178.367 175.800 0.139 0.000 1.113 127 F CA 1.961 60.012 58.000 0.084 0.000 1.214 127 F CB -0.551 38.526 39.000 0.128 0.000 0.978 127 F HN 0.145 nan 8.300 nan 0.000 0.474 128 A N -0.475 122.564 122.820 0.365 0.000 2.070 128 A HA -0.161 4.161 4.320 0.002 0.000 0.220 128 A C 1.994 179.633 177.584 0.092 0.000 1.159 128 A CA 1.549 53.736 52.037 0.250 0.000 0.656 128 A CB -0.555 18.556 19.000 0.185 0.000 0.800 128 A HN 0.490 nan 8.150 nan 0.000 0.453 129 K N -0.412 120.024 120.400 0.059 0.000 2.374 129 K HA 0.250 4.572 4.320 0.002 0.000 0.196 129 K C -0.316 176.288 176.600 0.008 0.000 1.023 129 K CA -0.277 56.027 56.287 0.029 0.000 1.103 129 K CB 0.541 33.060 32.500 0.031 0.000 0.848 129 K HN 0.243 nan 8.250 nan 0.000 0.528 130 V N 2.996 122.893 119.914 -0.028 0.000 2.673 130 V HA -0.046 4.075 4.120 0.002 0.000 0.303 130 V C 0.284 176.395 176.094 0.028 0.000 1.046 130 V CA 0.520 62.799 62.300 -0.035 0.000 1.126 130 V CB 0.448 32.201 31.823 -0.118 0.000 0.934 130 V HN 0.162 nan 8.190 nan 0.000 0.487 131 K N 3.506 123.929 120.400 0.039 0.000 2.502 131 K HA 0.744 5.066 4.320 0.002 0.000 0.257 131 K C -0.979 175.673 176.600 0.087 0.000 0.938 131 K CA -0.558 55.770 56.287 0.069 0.000 0.819 131 K CB 2.437 34.971 32.500 0.056 0.000 1.333 131 K HN 0.543 nan 8.250 nan 0.000 0.434 132 V N -2.490 117.503 119.914 0.132 0.000 3.102 132 V HA 0.602 4.723 4.120 0.002 0.000 0.312 132 V C -0.174 176.043 176.094 0.206 0.000 1.135 132 V CA -0.961 61.437 62.300 0.163 0.000 1.022 132 V CB 1.781 33.731 31.823 0.211 0.000 1.056 132 V HN 0.835 nan 8.190 nan 0.000 0.436 133 c N 2.217 120.953 118.600 0.227 0.000 2.527 133 c HA 0.336 4.907 4.570 0.002 0.000 0.396 133 c C 0.542 174.835 174.090 0.338 0.000 1.289 133 c CA -0.126 56.344 56.329 0.235 0.000 2.047 133 c CB -0.302 42.322 42.510 0.190 0.000 2.568 133 c HN 1.016 nan 8.230 nan 0.000 0.573 134 D N 0.729 121.287 120.400 0.262 0.000 2.583 134 D HA -0.125 4.517 4.640 0.002 0.000 0.232 134 D C 0.667 177.041 176.300 0.122 0.000 1.128 134 D CA 0.386 54.558 54.000 0.286 0.000 0.859 134 D CB 0.315 41.216 40.800 0.169 0.000 1.169 134 D HN 0.702 nan 8.370 nan 0.000 0.481 135 Y N 4.595 124.816 120.300 -0.132 0.000 2.193 135 Y HA -0.210 4.341 4.550 0.002 0.000 0.285 135 Y C 1.646 177.333 175.900 -0.356 0.000 1.166 135 Y CA 1.755 59.456 58.100 -0.666 0.000 1.181 135 Y CB 0.191 38.353 38.460 -0.498 0.000 0.976 135 Y HN 0.403 nan 8.280 nan 0.000 0.520 136 K N -0.830 119.477 120.400 -0.155 0.000 2.367 136 K HA 0.069 4.390 4.320 0.002 0.000 0.194 136 K C -0.377 176.141 176.600 -0.136 0.000 1.027 136 K CA 0.598 56.759 56.287 -0.210 0.000 1.075 136 K CB 0.575 33.039 32.500 -0.060 0.000 0.845 136 K HN 0.009 nan 8.250 nan 0.000 0.529 137 D N -0.044 120.307 120.400 -0.081 0.000 2.337 137 D HA -0.005 4.636 4.640 0.002 0.000 0.238 137 D C 0.108 176.399 176.300 -0.015 0.000 1.331 137 D CA -0.166 53.811 54.000 -0.039 0.000 0.967 137 D CB 0.861 41.661 40.800 0.000 0.000 1.382 137 D HN -0.025 nan 8.370 nan 0.000 0.549 138 S N 1.125 116.804 115.700 -0.035 0.000 2.653 138 S HA -0.052 4.420 4.470 0.002 0.000 0.233 138 S C 1.148 175.760 174.600 0.019 0.000 0.970 138 S CA 0.740 58.938 58.200 -0.002 0.000 0.947 138 S CB -0.058 63.130 63.200 -0.019 0.000 0.771 138 S HN 0.314 nan 8.310 nan 0.000 0.538 139 T N 0.855 115.419 114.554 0.016 0.000 3.037 139 T HA 0.209 4.560 4.350 0.002 0.000 0.252 139 T C 0.601 175.322 174.700 0.034 0.000 1.073 139 T CA 0.235 62.348 62.100 0.021 0.000 1.091 139 T CB 0.022 68.896 68.868 0.010 0.000 0.935 139 T HN 0.391 nan 8.240 nan 0.000 0.488 140 K N 1.588 122.015 120.400 0.045 0.000 2.266 140 K HA 0.330 4.651 4.320 0.002 0.000 0.274 140 K C -0.971 175.678 176.600 0.082 0.000 1.090 140 K CA -0.333 55.988 56.287 0.058 0.000 0.925 140 K CB 0.109 32.645 32.500 0.060 0.000 1.225 140 K HN 0.122 nan 8.250 nan 0.000 0.458 141 c N 3.824 122.468 118.600 0.073 0.000 2.513 141 c HA 0.196 4.767 4.570 0.002 0.000 0.281 141 c C -0.123 174.014 174.090 0.078 0.000 1.501 141 c CA -0.726 55.655 56.329 0.085 0.000 1.749 141 c CB -0.973 41.581 42.510 0.073 0.000 2.955 141 c HN 0.807 nan 8.230 nan 0.000 0.532 142 D N -0.691 119.756 120.400 0.078 0.000 2.740 142 D HA 0.180 4.821 4.640 0.002 0.000 0.301 142 D C -0.332 176.008 176.300 0.066 0.000 1.408 142 D CA -0.274 53.764 54.000 0.063 0.000 0.808 142 D CB -0.136 40.692 40.800 0.047 0.000 1.128 142 D HN 0.139 nan 8.370 nan 0.000 0.465 143 L N 1.510 122.788 121.223 0.093 0.000 2.313 143 L HA 0.579 4.920 4.340 0.002 0.000 0.282 143 L C 0.690 177.599 176.870 0.065 0.000 1.092 143 L CA -0.284 54.605 54.840 0.081 0.000 0.831 143 L CB 1.185 43.322 42.059 0.130 0.000 1.159 143 L HN 0.196 nan 8.230 nan 0.000 0.442 144 A N 2.711 125.550 122.820 0.032 0.000 2.264 144 A HA 0.440 4.762 4.320 0.002 0.000 0.304 144 A C 1.002 178.576 177.584 -0.016 0.000 1.100 144 A CA -0.518 51.535 52.037 0.026 0.000 0.839 144 A CB 0.463 19.476 19.000 0.021 0.000 1.121 144 A HN 0.753 nan 8.150 nan 0.000 0.496 145 L N -0.000 121.203 121.223 -0.033 0.000 1.990 145 L HA -0.084 4.257 4.340 0.002 0.000 0.213 145 L C 0.444 177.258 176.870 -0.094 0.000 1.072 145 L CA 2.396 57.140 54.840 -0.160 0.000 0.755 145 L CB -0.174 41.741 42.059 -0.241 0.000 0.889 145 L HN 0.725 nan 8.230 nan 0.000 0.432 146 D N -1.128 119.261 120.400 -0.019 0.000 2.414 146 D HA 0.283 4.924 4.640 0.002 0.000 0.232 146 D C -2.020 174.280 176.300 0.000 0.000 1.070 146 D CA -2.232 51.768 54.000 0.000 0.000 0.839 146 D CB 1.707 42.529 40.800 0.036 0.000 1.079 146 D HN 0.140 nan 8.370 nan 0.000 0.521 147 P HA 0.145 nan 4.420 nan 0.000 0.268 147 P C 0.580 177.846 177.300 -0.057 0.000 1.248 147 P CA 0.155 63.240 63.100 -0.025 0.000 0.851 147 P CB 1.154 32.847 31.700 -0.011 0.000 1.238 148 E N 0.645 120.811 120.200 -0.058 0.000 2.051 148 E HA -0.076 4.275 4.350 0.002 0.000 0.192 148 E C 2.053 178.545 176.600 -0.180 0.000 0.991 148 E CA 1.235 57.584 56.400 -0.085 0.000 0.799 148 E CB -0.816 28.858 29.700 -0.044 0.000 0.748 148 E HN 0.278 nan 8.360 nan 0.000 0.449 149 I N 0.672 121.120 120.570 -0.203 0.000 2.333 149 I HA -0.165 4.006 4.170 0.002 0.000 0.246 149 I C 2.043 177.975 176.117 -0.308 0.000 1.106 149 I CA 0.882 61.981 61.300 -0.335 0.000 1.411 149 I CB -0.219 37.617 38.000 -0.274 0.000 1.082 149 I HN 0.076 nan 8.210 nan 0.000 0.420 150 E N 0.730 120.794 120.200 -0.226 0.000 2.153 150 E HA -0.282 4.069 4.350 0.002 0.000 0.194 150 E C 1.991 178.513 176.600 -0.129 0.000 0.988 150 E CA 1.145 57.442 56.400 -0.171 0.000 0.811 150 E CB -0.068 29.576 29.700 -0.094 0.000 0.746 150 E HN 0.492 nan 8.360 nan 0.000 0.466 151 E N 0.622 120.747 120.200 -0.125 0.000 2.051 151 E HA -0.171 4.181 4.350 0.002 0.000 0.192 151 E C 2.129 178.663 176.600 -0.112 0.000 0.991 151 E CA 1.149 57.492 56.400 -0.094 0.000 0.799 151 E CB 0.197 29.851 29.700 -0.077 0.000 0.748 151 E HN 0.030 nan 8.360 nan 0.000 0.449 152 V N 1.696 121.496 119.914 -0.190 0.000 2.295 152 V HA -0.273 3.849 4.120 0.002 0.000 0.246 152 V C 2.447 178.476 176.094 -0.107 0.000 1.049 152 V CA 1.344 63.534 62.300 -0.182 0.000 1.024 152 V CB -0.445 31.132 31.823 -0.410 0.000 0.648 152 V HN 0.389 nan 8.190 nan 0.000 0.447 153 I N 1.386 121.876 120.570 -0.133 0.000 2.286 153 I HA -0.186 3.985 4.170 0.002 0.000 0.248 153 I C 2.661 178.752 176.117 -0.044 0.000 1.115 153 I CA 2.275 63.533 61.300 -0.071 0.000 1.392 153 I CB -1.411 36.519 38.000 -0.117 0.000 1.065 153 I HN 0.567 nan 8.210 nan 0.000 0.418 154 S N 0.140 115.811 115.700 -0.048 0.000 2.461 154 S HA -0.037 4.434 4.470 0.002 0.000 0.228 154 S C 1.756 176.350 174.600 -0.009 0.000 1.005 154 S CA 0.468 58.657 58.200 -0.017 0.000 0.942 154 S CB -0.012 63.181 63.200 -0.011 0.000 0.776 154 S HN 0.471 nan 8.310 nan 0.000 0.514 155 K N 0.688 121.080 120.400 -0.015 0.000 2.387 155 K HA 0.277 4.598 4.320 0.002 0.000 0.197 155 K C 0.713 177.320 176.600 0.013 0.000 1.127 155 K CA 0.183 56.469 56.287 -0.003 0.000 0.950 155 K CB 0.326 32.822 32.500 -0.007 0.000 1.017 155 K HN 0.276 nan 8.250 nan 0.000 0.519 156 S N 1.251 116.963 115.700 0.019 0.000 2.564 156 S HA 0.093 4.565 4.470 0.002 0.000 0.278 156 S C 0.545 175.193 174.600 0.079 0.000 1.333 156 S CA -0.356 57.874 58.200 0.049 0.000 1.048 156 S CB 0.466 63.700 63.200 0.057 0.000 0.900 156 S HN 0.118 nan 8.310 nan 0.000 0.505 157 R N 2.654 123.222 120.500 0.112 0.000 2.652 157 R HA 0.251 4.593 4.340 0.002 0.000 0.372 157 R C -0.698 175.774 176.300 0.288 0.000 1.104 157 R CA -0.334 55.892 56.100 0.210 0.000 1.072 157 R CB -0.548 29.843 30.300 0.153 0.000 1.367 157 R HN 0.597 nan 8.270 nan 0.000 0.577 158 D N 1.050 121.556 120.400 0.177 0.000 2.428 158 D HA 0.002 4.644 4.640 0.002 0.000 0.221 158 D C 1.167 177.497 176.300 0.050 0.000 1.123 158 D CA -0.337 53.727 54.000 0.106 0.000 0.869 158 D CB 0.648 41.472 40.800 0.041 0.000 1.032 158 D HN 0.368 nan 8.370 nan 0.000 0.506 159 H N 2.151 121.297 119.070 0.126 0.000 2.456 159 H HA -0.014 4.544 4.556 0.003 0.000 0.296 159 H C 1.085 176.455 175.328 0.071 0.000 1.079 159 H CA 1.266 57.313 56.048 -0.002 0.000 1.322 159 H CB 0.168 29.837 29.762 -0.156 0.000 1.388 159 H HN 0.408 nan 8.280 nan 0.000 0.538 160 E N 0.534 120.505 120.200 -0.380 0.000 2.112 160 E HA -0.148 4.203 4.350 0.002 0.000 0.190 160 E C 2.065 178.516 176.600 -0.249 0.000 0.979 160 E CA 0.759 57.049 56.400 -0.184 0.000 0.814 160 E CB 0.035 29.638 29.700 -0.162 0.000 0.762 160 E HN 0.728 nan 8.360 nan 0.000 0.460 161 E N 1.357 121.313 120.200 -0.407 0.000 2.058 161 E HA -0.209 4.143 4.350 0.002 0.000 0.194 161 E C 2.215 178.706 176.600 -0.181 0.000 0.997 161 E CA 0.844 56.784 56.400 -0.766 0.000 0.801 161 E CB -0.051 29.399 29.700 -0.416 0.000 0.746 161 E HN 0.156 nan 8.360 nan 0.000 0.450 162 L N 0.417 121.659 121.223 0.032 0.000 2.043 162 L HA -0.245 4.096 4.340 0.002 0.000 0.212 162 L C 2.674 179.691 176.870 0.245 0.000 1.075 162 L CA 1.407 56.367 54.840 0.200 0.000 0.752 162 L CB -0.490 41.673 42.059 0.174 0.000 0.891 162 L HN 0.258 nan 8.230 nan 0.000 0.432 163 A N -1.138 121.771 122.820 0.148 0.000 1.930 163 A HA -0.253 4.069 4.320 0.002 0.000 0.217 163 A C 2.159 179.758 177.584 0.025 0.000 1.175 163 A CA 1.283 53.271 52.037 -0.082 0.000 0.627 163 A CB -0.786 18.056 19.000 -0.264 0.000 0.815 163 A HN 0.495 nan 8.150 nan 0.000 0.443 164 Y N -0.704 119.527 120.300 -0.116 0.000 2.097 164 Y HA -0.290 4.261 4.550 0.002 0.000 0.282 164 Y C 2.135 177.985 175.900 -0.083 0.000 1.152 164 Y CA 2.135 60.144 58.100 -0.153 0.000 1.136 164 Y CB -0.591 37.641 38.460 -0.379 0.000 0.975 164 Y HN 0.344 nan 8.280 nan 0.000 0.498 165 Y N -1.500 118.779 120.300 -0.034 0.000 2.242 165 Y HA -0.226 4.325 4.550 0.002 0.000 0.291 165 Y C 2.364 178.287 175.900 0.037 0.000 1.137 165 Y CA 1.522 59.591 58.100 -0.052 0.000 1.181 165 Y CB -1.218 37.277 38.460 0.059 0.000 0.989 165 Y HN 0.400 nan 8.280 nan 0.000 0.527 166 W N 1.039 122.393 121.300 0.090 0.000 2.333 166 W HA -0.246 4.416 4.660 0.002 0.000 0.316 166 W C 2.792 179.384 176.519 0.122 0.000 1.215 166 W CA 2.441 59.854 57.345 0.114 0.000 1.278 166 W CB -0.291 29.133 29.460 -0.061 0.000 1.154 166 W HN -0.139 nan 8.180 nan 0.000 0.486 167 R N 0.263 121.002 120.500 0.399 0.000 2.092 167 R HA -0.166 4.175 4.340 0.002 0.000 0.231 167 R C 2.043 178.349 176.300 0.011 0.000 1.119 167 R CA 1.676 57.931 56.100 0.259 0.000 0.970 167 R CB -0.381 30.014 30.300 0.158 0.000 0.864 167 R HN 0.141 nan 8.270 nan 0.000 0.440 168 E N 0.015 120.140 120.200 -0.125 0.000 2.072 168 E HA -0.192 4.159 4.350 0.002 0.000 0.191 168 E C 1.662 178.233 176.600 -0.050 0.000 0.985 168 E CA 0.956 57.265 56.400 -0.151 0.000 0.801 168 E CB -0.403 29.116 29.700 -0.302 0.000 0.750 168 E HN 0.286 nan 8.360 nan 0.000 0.452 169 F N 0.645 120.525 119.950 -0.117 0.000 2.102 169 F HA -0.236 4.292 4.527 0.002 0.000 0.298 169 F C 2.134 177.811 175.800 -0.205 0.000 1.105 169 F CA 1.325 59.232 58.000 -0.154 0.000 1.239 169 F CB -0.494 38.398 39.000 -0.181 0.000 0.991 169 F HN -0.032 nan 8.300 nan 0.000 0.474 170 Y N 0.824 120.832 120.300 -0.487 0.000 2.181 170 Y HA -0.219 4.333 4.550 0.002 0.000 0.288 170 Y C 2.414 178.099 175.900 -0.359 0.000 1.146 170 Y CA 1.771 59.548 58.100 -0.538 0.000 1.164 170 Y CB -0.929 37.063 38.460 -0.780 0.000 0.982 170 Y HN 0.067 nan 8.280 nan 0.000 0.515 171 D N -0.178 120.165 120.400 -0.094 0.000 2.144 171 D HA -0.143 4.498 4.640 0.002 0.000 0.199 171 D C 1.864 178.093 176.300 -0.119 0.000 0.984 171 D CA 1.438 55.406 54.000 -0.054 0.000 0.834 171 D CB -0.136 40.651 40.800 -0.021 0.000 0.955 171 D HN 0.346 nan 8.370 nan 0.000 0.465 172 K N -0.081 120.186 120.400 -0.222 0.000 2.137 172 K HA 0.176 4.498 4.320 0.002 0.000 0.202 172 K C 1.891 178.298 176.600 -0.322 0.000 1.052 172 K CA 0.792 56.941 56.287 -0.229 0.000 0.961 172 K CB 0.275 32.653 32.500 -0.204 0.000 0.741 172 K HN -0.006 nan 8.250 nan 0.000 0.452 173 A N 0.603 123.060 122.820 -0.604 0.000 2.095 173 A HA 0.166 4.488 4.320 0.002 0.000 0.212 173 A C 1.942 179.349 177.584 -0.297 0.000 1.162 173 A CA 1.025 52.718 52.037 -0.573 0.000 0.753 173 A CB -0.114 18.171 19.000 -1.192 0.000 0.840 173 A HN 0.343 nan 8.150 nan 0.000 0.468 174 G N -1.065 107.556 108.800 -0.299 0.000 2.724 174 G HA2 0.103 4.065 3.960 0.002 0.000 0.217 174 G HA3 0.103 4.065 3.960 0.002 0.000 0.217 174 G C 1.401 176.311 174.900 0.016 0.000 1.251 174 G CA 1.162 46.161 45.100 -0.168 0.000 0.867 174 G HN 0.275 nan 8.290 nan 0.000 0.590 175 T N 2.189 116.769 114.554 0.043 0.000 2.803 175 T HA -0.031 4.320 4.350 0.002 0.000 0.269 175 T C 2.603 177.370 174.700 0.112 0.000 1.052 175 T CA 1.503 63.690 62.100 0.145 0.000 1.136 175 T CB -0.310 68.627 68.868 0.115 0.000 0.864 175 T HN 0.354 nan 8.240 nan 0.000 0.467 176 A N 1.058 123.907 122.820 0.048 0.000 2.121 176 A HA 0.072 4.394 4.320 0.002 0.000 0.218 176 A C 2.220 179.843 177.584 0.064 0.000 1.154 176 A CA 1.260 53.319 52.037 0.037 0.000 0.679 176 A CB -0.481 18.519 19.000 -0.000 0.000 0.795 176 A HN 0.543 nan 8.150 nan 0.000 0.458 177 V N -2.910 117.066 119.914 0.104 0.000 3.214 177 V HA 0.282 4.403 4.120 0.002 0.000 0.330 177 V C 1.497 177.704 176.094 0.188 0.000 1.403 177 V CA 0.506 62.889 62.300 0.138 0.000 1.143 177 V CB -0.536 31.371 31.823 0.140 0.000 1.098 177 V HN 0.512 nan 8.190 nan 0.000 0.463 178 R N 1.847 122.425 120.500 0.129 0.000 2.083 178 R HA -0.169 4.172 4.340 0.002 0.000 0.237 178 R C 2.402 178.685 176.300 -0.028 0.000 1.137 178 R CA 2.492 58.547 56.100 -0.076 0.000 0.951 178 R CB -0.422 29.761 30.300 -0.196 0.000 0.851 178 R HN 0.805 nan 8.270 nan 0.000 0.434 179 S N -0.054 115.649 115.700 0.005 0.000 2.383 179 S HA -0.159 4.312 4.470 0.002 0.000 0.227 179 S C 1.870 176.511 174.600 0.068 0.000 1.026 179 S CA 1.039 59.243 58.200 0.008 0.000 0.981 179 S CB -0.168 63.030 63.200 -0.003 0.000 0.818 179 S HN 0.379 nan 8.310 nan 0.000 0.472 180 Q N 0.434 120.299 119.800 0.108 0.000 2.079 180 Q HA 0.153 4.495 4.340 0.002 0.000 0.200 180 Q C 1.780 177.906 176.000 0.209 0.000 0.974 180 Q CA 1.469 57.347 55.803 0.125 0.000 0.840 180 Q CB -0.635 28.173 28.738 0.116 0.000 0.898 180 Q HN 0.642 nan 8.270 nan 0.000 0.430 181 F N 1.475 121.516 119.950 0.151 0.000 2.126 181 F HA -0.213 4.315 4.527 0.002 0.000 0.299 181 F C 1.813 177.828 175.800 0.359 0.000 1.096 181 F CA 1.524 59.703 58.000 0.299 0.000 1.255 181 F CB 0.078 39.305 39.000 0.378 0.000 0.997 181 F HN 0.098 nan 8.300 nan 0.000 0.479 182 E N -0.469 119.943 120.200 0.354 0.000 2.058 182 E HA -0.294 4.057 4.350 0.002 0.000 0.194 182 E C 2.219 178.893 176.600 0.122 0.000 0.997 182 E CA 1.346 57.904 56.400 0.263 0.000 0.801 182 E CB -0.213 29.504 29.700 0.027 0.000 0.746 182 E HN 0.161 nan 8.360 nan 0.000 0.450 183 R N 0.323 120.868 120.500 0.075 0.000 2.092 183 R HA -0.172 4.169 4.340 0.002 0.000 0.231 183 R C 2.145 178.449 176.300 0.007 0.000 1.119 183 R CA 1.273 57.388 56.100 0.025 0.000 0.970 183 R CB -0.648 29.662 30.300 0.017 0.000 0.864 183 R HN 0.310 nan 8.270 nan 0.000 0.440 184 Y N -0.232 119.992 120.300 -0.127 0.000 2.181 184 Y HA -0.151 4.400 4.550 0.003 0.000 0.288 184 Y C 1.737 177.509 175.900 -0.214 0.000 1.146 184 Y CA 1.758 59.733 58.100 -0.208 0.000 1.164 184 Y CB -0.558 37.745 38.460 -0.262 0.000 0.982 184 Y HN -0.110 nan 8.280 nan 0.000 0.515 185 V N 1.222 120.828 119.914 -0.513 0.000 2.287 185 V HA -0.325 3.796 4.120 0.002 0.000 0.248 185 V C 2.300 178.237 176.094 -0.262 0.000 1.053 185 V CA 2.407 64.448 62.300 -0.432 0.000 1.027 185 V CB -0.710 31.065 31.823 -0.080 0.000 0.646 185 V HN 0.471 nan 8.190 nan 0.000 0.447 186 E N -0.115 120.010 120.200 -0.125 0.000 2.058 186 E HA -0.212 4.139 4.350 0.002 0.000 0.194 186 E C 2.186 178.690 176.600 -0.160 0.000 0.997 186 E CA 1.440 57.781 56.400 -0.099 0.000 0.801 186 E CB -0.208 29.461 29.700 -0.051 0.000 0.746 186 E HN 0.512 nan 8.360 nan 0.000 0.450 187 L N 1.210 122.313 121.223 -0.199 0.000 2.156 187 L HA -0.118 4.224 4.340 0.002 0.000 0.208 187 L C 2.452 179.137 176.870 -0.309 0.000 1.095 187 L CA 0.478 55.188 54.840 -0.216 0.000 0.770 187 L CB -0.458 41.474 42.059 -0.211 0.000 0.914 187 L HN 0.211 nan 8.230 nan 0.000 0.439 188 N N 0.099 118.524 118.700 -0.459 0.000 2.120 188 N HA -0.166 4.576 4.740 0.002 0.000 0.188 188 N C 1.614 176.868 175.510 -0.427 0.000 1.024 188 N CA 2.023 54.759 53.050 -0.523 0.000 0.852 188 N CB 0.070 37.996 38.487 -0.934 0.000 1.003 188 N HN 0.221 nan 8.380 nan 0.000 0.424 189 T N 0.962 115.284 114.554 -0.388 0.000 2.777 189 T HA -0.102 4.249 4.350 0.002 0.000 0.266 189 T C 1.887 176.501 174.700 -0.144 0.000 1.040 189 T CA 1.149 63.095 62.100 -0.257 0.000 1.141 189 T CB -0.095 68.677 68.868 -0.160 0.000 0.868 189 T HN 0.355 nan 8.240 nan 0.000 0.444 190 K N 1.127 121.453 120.400 -0.123 0.000 2.057 190 K HA -0.050 4.271 4.320 0.002 0.000 0.207 190 K C 2.467 179.043 176.600 -0.039 0.000 1.049 190 K CA 1.233 57.479 56.287 -0.070 0.000 0.931 190 K CB -0.315 32.146 32.500 -0.066 0.000 0.714 190 K HN 0.278 nan 8.250 nan 0.000 0.440 191 A N 1.068 123.864 122.820 -0.039 0.000 1.858 191 A HA -0.092 4.230 4.320 0.002 0.000 0.216 191 A C 2.371 179.994 177.584 0.065 0.000 1.190 191 A CA 1.855 53.924 52.037 0.052 0.000 0.617 191 A CB -1.002 18.108 19.000 0.183 0.000 0.827 191 A HN 0.479 nan 8.150 nan 0.000 0.443 192 A N -0.030 122.798 122.820 0.014 0.000 1.892 192 A HA -0.233 4.088 4.320 0.002 0.000 0.218 192 A C 2.108 179.757 177.584 0.109 0.000 1.188 192 A CA 2.038 54.117 52.037 0.070 0.000 0.631 192 A CB -0.527 18.430 19.000 -0.072 0.000 0.822 192 A HN 0.566 nan 8.150 nan 0.000 0.447 193 K N -0.511 119.906 120.400 0.029 0.000 2.147 193 K HA 0.015 4.337 4.320 0.002 0.000 0.205 193 K C 1.708 178.310 176.600 0.002 0.000 1.049 193 K CA 1.123 57.418 56.287 0.014 0.000 0.936 193 K CB -0.341 32.154 32.500 -0.008 0.000 0.722 193 K HN 0.477 nan 8.250 nan 0.000 0.446 194 L N 1.209 122.439 121.223 0.011 0.000 2.275 194 L HA -0.139 4.203 4.340 0.002 0.000 0.215 194 L C 1.437 178.305 176.870 -0.003 0.000 1.119 194 L CA 0.725 55.568 54.840 0.004 0.000 0.790 194 L CB -0.242 41.827 42.059 0.017 0.000 0.919 194 L HN 0.236 nan 8.230 nan 0.000 0.443 195 N N 0.108 118.821 118.700 0.021 0.000 2.336 195 N HA -0.032 4.709 4.740 0.002 0.000 0.189 195 N C 0.023 175.393 175.510 -0.234 0.000 1.113 195 N CA 0.124 53.155 53.050 -0.031 0.000 0.858 195 N CB 0.223 38.792 38.487 0.136 0.000 0.970 195 N HN 0.218 nan 8.380 nan 0.000 0.471 196 N N 0.048 118.657 118.700 -0.151 0.000 2.741 196 N HA -0.183 4.559 4.740 0.002 0.000 0.251 196 N C -0.844 174.494 175.510 -0.287 0.000 1.112 196 N CA 0.700 53.633 53.050 -0.195 0.000 0.750 196 N CB -1.760 36.603 38.487 -0.208 0.000 1.119 196 N HN 0.187 nan 8.380 nan 0.000 0.561 197 F N 0.174 120.105 119.950 -0.031 0.000 2.382 197 F HA 0.229 4.757 4.527 0.002 0.000 0.331 197 F C 2.340 178.109 175.800 -0.052 0.000 1.121 197 F CA -0.237 57.738 58.000 -0.041 0.000 1.183 197 F CB 0.531 39.497 39.000 -0.057 0.000 1.207 197 F HN -0.188 nan 8.300 nan 0.000 0.555 198 T N -0.211 114.437 114.554 0.158 0.000 2.867 198 T HA -0.030 4.321 4.350 0.002 0.000 0.268 198 T C 0.513 175.231 174.700 0.030 0.000 1.057 198 T CA 1.505 63.643 62.100 0.063 0.000 1.136 198 T CB -0.201 68.695 68.868 0.046 0.000 0.874 198 T HN 0.637 nan 8.240 nan 0.000 0.466 199 S N -1.525 114.182 115.700 0.012 0.000 2.661 199 S HA 0.539 5.010 4.470 0.002 0.000 0.268 199 S C 1.145 175.610 174.600 -0.226 0.000 1.162 199 S CA -0.188 57.960 58.200 -0.087 0.000 0.817 199 S CB 0.960 64.138 63.200 -0.037 0.000 1.141 199 S HN 0.075 nan 8.310 nan 0.000 0.477 200 G N 0.466 108.972 108.800 -0.491 0.000 2.470 200 G HA2 0.157 4.119 3.960 0.002 0.000 0.220 200 G HA3 0.157 4.119 3.960 0.002 0.000 0.220 200 G C 1.416 175.976 174.900 -0.566 0.000 1.121 200 G CA 1.091 45.668 45.100 -0.871 0.000 0.766 200 G HN 1.298 nan 8.290 nan 0.000 0.553 201 A N 1.080 123.815 122.820 -0.142 0.000 1.858 201 A HA -0.003 4.319 4.320 0.002 0.000 0.216 201 A C 2.210 179.658 177.584 -0.227 0.000 1.190 201 A CA 2.055 54.034 52.037 -0.097 0.000 0.617 201 A CB -0.339 18.508 19.000 -0.255 0.000 0.827 201 A HN 0.325 nan 8.150 nan 0.000 0.443 202 E N 0.097 120.155 120.200 -0.236 0.000 2.106 202 E HA 0.010 4.361 4.350 0.002 0.000 0.192 202 E C 2.214 178.464 176.600 -0.584 0.000 0.984 202 E CA 1.242 57.501 56.400 -0.236 0.000 0.806 202 E CB -0.492 29.202 29.700 -0.010 0.000 0.750 202 E HN 0.571 nan 8.360 nan 0.000 0.458 203 A N 0.501 122.823 122.820 -0.831 0.000 1.883 203 A HA -0.196 4.126 4.320 0.002 0.000 0.217 203 A C 1.774 179.115 177.584 -0.405 0.000 1.186 203 A CA 1.416 52.769 52.037 -1.140 0.000 0.624 203 A CB -0.987 17.602 19.000 -0.684 0.000 0.822 203 A HN 0.323 nan 8.150 nan 0.000 0.444 204 W N -0.061 121.089 121.300 -0.250 0.000 2.355 204 W HA -0.070 4.591 4.660 0.002 0.000 0.309 204 W C 2.112 178.633 176.519 0.004 0.000 1.206 204 W CA 0.868 58.189 57.345 -0.041 0.000 1.284 204 W CB -1.309 28.290 29.460 0.232 0.000 1.145 204 W HN 0.275 nan 8.180 nan 0.000 0.502 205 L N -0.084 121.282 121.223 0.238 0.000 2.191 205 L HA -0.217 4.125 4.340 0.002 0.000 0.212 205 L C 2.026 178.971 176.870 0.125 0.000 1.103 205 L CA 1.652 56.640 54.840 0.248 0.000 0.769 205 L CB -0.823 41.277 42.059 0.069 0.000 0.908 205 L HN -0.094 nan 8.230 nan 0.000 0.438 206 D N 0.024 120.395 120.400 -0.048 0.000 2.221 206 D HA -0.213 4.428 4.640 0.002 0.000 0.204 206 D C 1.963 178.224 176.300 -0.065 0.000 0.982 206 D CA 0.885 54.871 54.000 -0.023 0.000 0.857 206 D CB 0.178 40.917 40.800 -0.101 0.000 0.934 206 D HN 0.216 nan 8.370 nan 0.000 0.475 207 E N -0.668 119.415 120.200 -0.195 0.000 2.333 207 E HA -0.178 4.174 4.350 0.002 0.000 0.198 207 E C 1.203 177.470 176.600 -0.555 0.000 1.007 207 E CA 0.661 56.822 56.400 -0.398 0.000 0.845 207 E CB -0.301 29.069 29.700 -0.550 0.000 0.766 207 E HN 0.624 nan 8.360 nan 0.000 0.507 208 Y N 0.629 120.805 120.300 -0.207 0.000 2.482 208 Y HA 0.106 4.658 4.550 0.002 0.000 0.270 208 Y C 0.366 176.259 175.900 -0.012 0.000 1.152 208 Y CA -0.044 57.839 58.100 -0.361 0.000 1.292 208 Y CB 0.058 37.793 38.460 -1.208 0.000 1.070 208 Y HN -0.049 nan 8.280 nan 0.000 0.528 209 E N 1.410 121.671 120.200 0.103 0.000 2.269 209 E HA -0.264 4.087 4.350 0.002 0.000 0.223 209 E C -0.903 175.793 176.600 0.160 0.000 1.244 209 E CA 0.841 57.312 56.400 0.118 0.000 0.713 209 E CB -1.077 28.669 29.700 0.075 0.000 1.178 209 E HN 0.317 nan 8.360 nan 0.000 0.370 210 D N 0.353 120.873 120.400 0.201 0.000 2.419 210 D HA 0.027 4.669 4.640 0.002 0.000 0.219 210 D C -0.017 176.439 176.300 0.260 0.000 1.349 210 D CA -0.414 53.744 54.000 0.262 0.000 0.964 210 D CB 0.726 41.806 40.800 0.466 0.000 1.463 210 D HN 0.046 nan 8.370 nan 0.000 0.573 211 D N 1.354 121.865 120.400 0.186 0.000 2.378 211 D HA -0.084 4.558 4.640 0.002 0.000 0.227 211 D C 1.048 177.447 176.300 0.164 0.000 1.012 211 D CA 0.467 54.562 54.000 0.158 0.000 0.905 211 D CB -0.199 40.669 40.800 0.113 0.000 0.895 211 D HN 0.285 nan 8.370 nan 0.000 0.532 212 T N -4.525 110.153 114.554 0.207 0.000 3.228 212 T HA 0.180 4.532 4.350 0.002 0.000 0.278 212 T C 1.035 175.871 174.700 0.226 0.000 1.014 212 T CA -0.721 61.486 62.100 0.178 0.000 0.904 212 T CB -0.838 68.117 68.868 0.145 0.000 1.110 212 T HN -0.057 nan 8.240 nan 0.000 0.541 213 F N 2.780 122.798 119.950 0.114 0.000 2.095 213 F HA 0.026 4.555 4.527 0.002 0.000 0.298 213 F C 2.101 177.938 175.800 0.063 0.000 1.104 213 F CA 1.531 59.589 58.000 0.097 0.000 1.232 213 F CB -0.088 38.965 39.000 0.089 0.000 0.987 213 F HN 0.255 nan 8.300 nan 0.000 0.475 214 E N -0.708 119.590 120.200 0.163 0.000 2.051 214 E HA -0.308 4.043 4.350 0.002 0.000 0.192 214 E C 2.106 178.774 176.600 0.112 0.000 0.991 214 E CA 1.376 57.857 56.400 0.135 0.000 0.799 214 E CB -0.336 29.432 29.700 0.113 0.000 0.748 214 E HN 0.289 nan 8.360 nan 0.000 0.449 215 Q N 1.103 120.962 119.800 0.098 0.000 2.152 215 Q HA -0.229 4.112 4.340 0.002 0.000 0.206 215 Q C 1.916 177.947 176.000 0.052 0.000 0.985 215 Q CA 1.731 57.590 55.803 0.092 0.000 0.863 215 Q CB -0.055 28.734 28.738 0.085 0.000 0.904 215 Q HN 0.306 nan 8.270 nan 0.000 0.422 216 Q N -0.782 119.008 119.800 -0.016 0.000 2.124 216 Q HA -0.108 4.233 4.340 0.002 0.000 0.202 216 Q C 2.064 177.987 176.000 -0.128 0.000 0.977 216 Q CA 1.324 57.086 55.803 -0.068 0.000 0.850 216 Q CB -0.051 28.611 28.738 -0.127 0.000 0.901 216 Q HN 0.406 nan 8.270 nan 0.000 0.429 217 L N 0.458 121.550 121.223 -0.219 0.000 2.109 217 L HA -0.150 4.191 4.340 0.002 0.000 0.207 217 L C 2.288 179.167 176.870 0.014 0.000 1.086 217 L CA 0.669 55.350 54.840 -0.265 0.000 0.760 217 L CB -0.285 41.482 42.059 -0.488 0.000 0.910 217 L HN 0.187 nan 8.230 nan 0.000 0.437 218 E N 0.346 120.687 120.200 0.235 0.000 2.085 218 E HA -0.229 4.122 4.350 0.002 0.000 0.194 218 E C 1.702 178.462 176.600 0.266 0.000 0.994 218 E CA 1.394 58.025 56.400 0.385 0.000 0.801 218 E CB -0.257 29.621 29.700 0.296 0.000 0.743 218 E HN 0.502 nan 8.360 nan 0.000 0.453 219 D N 0.532 121.016 120.400 0.140 0.000 2.097 219 D HA -0.081 4.560 4.640 0.002 0.000 0.197 219 D C 2.191 178.533 176.300 0.070 0.000 0.984 219 D CA 0.655 54.711 54.000 0.092 0.000 0.826 219 D CB -0.307 40.527 40.800 0.057 0.000 0.973 219 D HN 0.188 nan 8.370 nan 0.000 0.460 220 I N 0.122 120.718 120.570 0.044 0.000 2.202 220 I HA -0.231 3.941 4.170 0.002 0.000 0.242 220 I C 2.209 178.359 176.117 0.054 0.000 1.091 220 I CA 0.588 61.900 61.300 0.019 0.000 1.368 220 I CB -0.194 37.787 38.000 -0.032 0.000 1.058 220 I HN -0.112 nan 8.210 nan 0.000 0.410 221 F N 1.999 121.938 119.950 -0.018 0.000 2.126 221 F HA -0.278 4.250 4.527 0.002 0.000 0.299 221 F C 2.468 178.323 175.800 0.091 0.000 1.096 221 F CA 1.387 59.414 58.000 0.046 0.000 1.255 221 F CB -0.470 38.635 39.000 0.176 0.000 0.997 221 F HN 0.024 nan 8.300 nan 0.000 0.479 222 A N -0.149 122.676 122.820 0.009 0.000 1.978 222 A HA -0.223 4.099 4.320 0.002 0.000 0.220 222 A C 1.942 179.450 177.584 -0.127 0.000 1.170 222 A CA 2.083 54.075 52.037 -0.075 0.000 0.636 222 A CB -0.948 18.083 19.000 0.051 0.000 0.810 222 A HN 0.467 nan 8.150 nan 0.000 0.448 223 D N -0.414 119.934 120.400 -0.086 0.000 2.183 223 D HA -0.053 4.588 4.640 0.002 0.000 0.203 223 D C 1.571 177.813 176.300 -0.097 0.000 0.969 223 D CA 0.808 54.768 54.000 -0.067 0.000 0.842 223 D CB -0.053 40.730 40.800 -0.028 0.000 0.957 223 D HN 0.390 nan 8.370 nan 0.000 0.484 224 I N 0.009 120.484 120.570 -0.159 0.000 3.462 224 I HA 0.064 4.235 4.170 0.002 0.000 0.290 224 I C 2.211 178.210 176.117 -0.197 0.000 1.236 224 I CA 0.142 61.355 61.300 -0.145 0.000 1.418 224 I CB -0.642 37.284 38.000 -0.123 0.000 1.102 224 I HN -0.074 nan 8.210 nan 0.000 0.441 225 R N 1.822 122.088 120.500 -0.390 0.000 2.117 225 R HA -0.169 4.173 4.340 0.002 0.000 0.243 225 R C -0.584 175.682 176.300 -0.058 0.000 1.143 225 R CA 1.943 57.839 56.100 -0.341 0.000 0.968 225 R CB -0.910 29.066 30.300 -0.540 0.000 0.863 225 R HN 0.201 nan 8.270 nan 0.000 0.444 226 P HA -0.150 nan 4.420 nan 0.000 0.217 226 P C 1.156 178.463 177.300 0.013 0.000 1.150 226 P CA 0.800 63.886 63.100 -0.023 0.000 0.832 226 P CB -0.069 31.609 31.700 -0.035 0.000 0.787 227 L N -1.296 119.934 121.223 0.010 0.000 2.046 227 L HA -0.175 4.166 4.340 0.002 0.000 0.208 227 L C 2.363 179.267 176.870 0.056 0.000 1.077 227 L CA 1.784 56.640 54.840 0.027 0.000 0.747 227 L CB -1.656 40.401 42.059 -0.003 0.000 0.896 227 L HN -0.077 nan 8.230 nan 0.000 0.432 228 Y N 0.234 120.518 120.300 -0.027 0.000 2.165 228 Y HA -0.287 4.264 4.550 0.002 0.000 0.286 228 Y C 2.502 178.510 175.900 0.179 0.000 1.155 228 Y CA 2.157 60.278 58.100 0.036 0.000 1.164 228 Y CB -0.299 38.192 38.460 0.051 0.000 0.978 228 Y HN 0.376 nan 8.280 nan 0.000 0.513 229 Q N -0.127 119.718 119.800 0.074 0.000 2.135 229 Q HA -0.222 4.119 4.340 0.002 0.000 0.204 229 Q C 2.026 178.080 176.000 0.089 0.000 0.981 229 Q CA 1.545 57.394 55.803 0.077 0.000 0.856 229 Q CB -0.400 28.373 28.738 0.059 0.000 0.902 229 Q HN 0.620 nan 8.270 nan 0.000 0.425 230 Q N 0.328 120.171 119.800 0.070 0.000 2.119 230 Q HA -0.041 4.300 4.340 0.002 0.000 0.201 230 Q C 2.247 178.365 176.000 0.198 0.000 0.972 230 Q CA 0.909 56.779 55.803 0.112 0.000 0.847 230 Q CB -0.191 28.597 28.738 0.083 0.000 0.903 230 Q HN 0.445 nan 8.270 nan 0.000 0.433 231 I N 0.277 120.930 120.570 0.139 0.000 2.286 231 I HA -0.244 3.928 4.170 0.002 0.000 0.245 231 I C 2.640 178.943 176.117 0.310 0.000 1.104 231 I CA 0.930 62.371 61.300 0.235 0.000 1.397 231 I CB -0.414 37.574 38.000 -0.019 0.000 1.072 231 I HN 0.287 nan 8.210 nan 0.000 0.417 232 H N 1.302 120.378 119.070 0.009 0.000 2.290 232 H HA -0.169 4.389 4.556 0.002 0.000 0.298 232 H C 2.136 177.579 175.328 0.191 0.000 1.087 232 H CA 2.176 58.281 56.048 0.095 0.000 1.291 232 H CB -0.366 29.297 29.762 -0.166 0.000 1.369 232 H HN 0.334 nan 8.280 nan 0.000 0.492 233 G N -0.728 108.304 108.800 0.386 0.000 2.418 233 G HA2 -0.317 3.644 3.960 0.002 0.000 0.217 233 G HA3 -0.317 3.644 3.960 0.002 0.000 0.217 233 G C 1.818 176.882 174.900 0.274 0.000 1.158 233 G CA 0.800 46.091 45.100 0.318 0.000 0.771 233 G HN 0.558 nan 8.290 nan 0.000 0.545 234 Y N 0.818 121.253 120.300 0.224 0.000 2.200 234 Y HA -0.069 4.483 4.550 0.002 0.000 0.290 234 Y C 2.868 178.962 175.900 0.323 0.000 1.137 234 Y CA 1.397 59.670 58.100 0.288 0.000 1.163 234 Y CB -0.085 38.557 38.460 0.304 0.000 0.988 234 Y HN 0.038 nan 8.280 nan 0.000 0.518 235 V N 0.967 121.096 119.914 0.358 0.000 2.287 235 V HA -0.340 3.781 4.120 0.002 0.000 0.248 235 V C 2.498 178.555 176.094 -0.061 0.000 1.053 235 V CA 2.350 64.757 62.300 0.178 0.000 1.027 235 V CB -0.738 31.230 31.823 0.241 0.000 0.646 235 V HN 0.379 nan 8.190 nan 0.000 0.447 236 R N -0.496 119.945 120.500 -0.098 0.000 2.091 236 R HA -0.238 4.104 4.340 0.002 0.000 0.238 236 R C 2.290 178.577 176.300 -0.021 0.000 1.136 236 R CA 2.264 58.295 56.100 -0.114 0.000 0.959 236 R CB -0.500 29.745 30.300 -0.092 0.000 0.856 236 R HN 0.491 nan 8.270 nan 0.000 0.437 237 F N 1.546 121.420 119.950 -0.128 0.000 2.126 237 F HA -0.188 4.341 4.527 0.003 0.000 0.299 237 F C 2.037 177.718 175.800 -0.199 0.000 1.096 237 F CA 1.516 59.425 58.000 -0.152 0.000 1.255 237 F CB -0.134 38.753 39.000 -0.188 0.000 0.997 237 F HN -0.062 nan 8.300 nan 0.000 0.479 238 R N 0.640 120.830 120.500 -0.517 0.000 2.090 238 R HA -0.021 4.320 4.340 0.002 0.000 0.228 238 R C 2.421 178.533 176.300 -0.313 0.000 1.110 238 R CA 1.273 57.024 56.100 -0.582 0.000 0.973 238 R CB -1.192 28.861 30.300 -0.411 0.000 0.869 238 R HN 0.407 nan 8.270 nan 0.000 0.440 239 L N 0.272 121.386 121.223 -0.182 0.000 2.083 239 L HA -0.118 4.223 4.340 0.002 0.000 0.209 239 L C 2.582 179.452 176.870 0.001 0.000 1.083 239 L CA 1.240 56.056 54.840 -0.039 0.000 0.752 239 L CB -0.310 41.712 42.059 -0.062 0.000 0.899 239 L HN 0.123 nan 8.230 nan 0.000 0.433 240 R N 0.159 120.603 120.500 -0.093 0.000 2.096 240 R HA -0.165 4.177 4.340 0.002 0.000 0.235 240 R C 2.243 178.473 176.300 -0.117 0.000 1.127 240 R CA 1.240 57.293 56.100 -0.078 0.000 0.968 240 R CB -0.176 30.084 30.300 -0.066 0.000 0.861 240 R HN 0.343 nan 8.270 nan 0.000 0.440 241 K N -1.026 119.240 120.400 -0.223 0.000 2.148 241 K HA -0.167 4.154 4.320 0.002 0.000 0.204 241 K C 1.863 178.362 176.600 -0.169 0.000 1.050 241 K CA 1.315 57.466 56.287 -0.227 0.000 0.942 241 K CB -0.116 32.171 32.500 -0.355 0.000 0.724 241 K HN 0.285 nan 8.250 nan 0.000 0.446 242 H N -1.014 117.909 119.070 -0.245 0.000 2.329 242 H HA -0.032 4.525 4.556 0.002 0.000 0.306 242 H C 1.154 176.267 175.328 -0.359 0.000 1.062 242 H CA 1.580 57.430 56.048 -0.330 0.000 1.364 242 H CB 0.241 29.739 29.762 -0.440 0.000 1.409 242 H HN 0.110 nan 8.280 nan 0.000 0.519 243 Y N -0.237 120.040 120.300 -0.038 0.000 2.497 243 Y HA 0.280 4.831 4.550 0.002 0.000 0.265 243 Y C 1.241 177.051 175.900 -0.150 0.000 1.111 243 Y CA 0.594 58.635 58.100 -0.098 0.000 1.288 243 Y CB 0.681 39.063 38.460 -0.130 0.000 1.082 243 Y HN 0.494 nan 8.280 nan 0.000 0.536 244 G N 0.442 109.241 108.800 -0.001 0.000 2.746 244 G HA2 -0.248 3.713 3.960 0.002 0.000 0.685 244 G HA3 -0.248 3.713 3.960 0.002 0.000 0.685 244 G C -0.385 174.488 174.900 -0.044 0.000 1.350 244 G CA -0.194 44.881 45.100 -0.041 0.000 0.837 244 G HN 0.186 nan 8.290 nan 0.000 0.564 245 D N 0.268 120.640 120.400 -0.047 0.000 2.355 245 D HA 0.330 4.972 4.640 0.002 0.000 0.218 245 D C 2.473 178.737 176.300 -0.060 0.000 1.004 245 D CA 1.506 55.477 54.000 -0.048 0.000 0.880 245 D CB 0.016 40.795 40.800 -0.035 0.000 0.911 245 D HN 0.855 nan 8.370 nan 0.000 0.528 246 A N -0.089 122.691 122.820 -0.066 0.000 2.014 246 A HA -0.053 4.269 4.320 0.002 0.000 0.218 246 A C 2.088 179.602 177.584 -0.116 0.000 1.163 246 A CA 0.856 52.849 52.037 -0.074 0.000 0.652 246 A CB -0.073 18.892 19.000 -0.057 0.000 0.808 246 A HN 0.171 nan 8.150 nan 0.000 0.449 247 V N -1.237 118.579 119.914 -0.163 0.000 2.672 247 V HA 0.070 4.192 4.120 0.002 0.000 0.242 247 V C 0.405 176.376 176.094 -0.205 0.000 1.059 247 V CA 0.819 62.966 62.300 -0.256 0.000 1.081 247 V CB 0.369 31.941 31.823 -0.419 0.000 0.752 247 V HN 0.173 nan 8.190 nan 0.000 0.472 248 V N 1.432 121.258 119.914 -0.147 0.000 2.483 248 V HA 0.526 4.647 4.120 0.002 0.000 0.297 248 V C -0.038 176.010 176.094 -0.076 0.000 1.027 248 V CA -0.489 61.736 62.300 -0.126 0.000 0.855 248 V CB 1.731 33.484 31.823 -0.117 0.000 0.995 248 V HN 0.443 nan 8.190 nan 0.000 0.424 249 S N 2.414 118.078 115.700 -0.059 0.000 2.672 249 S HA 0.368 4.839 4.470 0.002 0.000 0.276 249 S C 0.886 175.487 174.600 0.001 0.000 1.207 249 S CA -0.243 57.939 58.200 -0.031 0.000 1.002 249 S CB 1.763 64.947 63.200 -0.027 0.000 0.998 249 S HN 0.819 nan 8.310 nan 0.000 0.542 250 E N 0.313 120.513 120.200 -0.001 0.000 2.150 250 E HA -0.131 4.220 4.350 0.002 0.000 0.193 250 E C 1.427 178.056 176.600 0.049 0.000 0.985 250 E CA 1.630 58.045 56.400 0.026 0.000 0.814 250 E CB -0.183 29.499 29.700 -0.030 0.000 0.752 250 E HN 0.923 nan 8.360 nan 0.000 0.466 251 T N -3.182 111.367 114.554 -0.009 0.000 3.001 251 T HA 0.300 4.652 4.350 0.002 0.000 0.251 251 T C 0.753 175.566 174.700 0.189 0.000 1.040 251 T CA 0.007 62.113 62.100 0.011 0.000 0.985 251 T CB 0.851 69.621 68.868 -0.163 0.000 1.011 251 T HN 0.109 nan 8.240 nan 0.000 0.509 252 G N 2.146 111.032 108.800 0.142 0.000 2.522 252 G HA2 0.609 4.570 3.960 0.002 0.000 0.304 252 G HA3 0.609 4.570 3.960 0.002 0.000 0.304 252 G C -2.923 172.087 174.900 0.184 0.000 1.210 252 G CA -1.926 43.268 45.100 0.156 0.000 0.960 252 G HN 0.078 nan 8.290 nan 0.000 0.497 253 P HA 0.082 nan 4.420 nan 0.000 0.267 253 P C -0.033 177.218 177.300 -0.083 0.000 1.200 253 P CA 0.062 63.123 63.100 -0.065 0.000 0.772 253 P CB 0.597 32.217 31.700 -0.133 0.000 0.855 254 I N 4.543 125.033 120.570 -0.133 0.000 2.533 254 I HA 0.081 4.252 4.170 0.002 0.000 0.284 254 I C -1.887 174.091 176.117 -0.230 0.000 1.109 254 I CA -2.008 59.153 61.300 -0.231 0.000 1.412 254 I CB 0.390 38.145 38.000 -0.408 0.000 1.396 254 I HN 0.154 nan 8.210 nan 0.000 0.543 255 P HA -0.022 nan 4.420 nan 0.000 0.265 255 P C 0.749 177.932 177.300 -0.196 0.000 1.222 255 P CA 0.042 63.023 63.100 -0.198 0.000 0.767 255 P CB 0.465 32.087 31.700 -0.130 0.000 0.801 256 M N 3.725 123.223 119.600 -0.170 0.000 2.374 256 M HA -0.134 4.348 4.480 0.002 0.000 0.264 256 M C 1.381 177.641 176.300 -0.066 0.000 1.067 256 M CA 1.466 56.695 55.300 -0.117 0.000 1.103 256 M CB -0.820 31.781 32.600 0.002 0.000 1.402 256 M HN 0.327 nan 8.290 nan 0.000 0.444 257 H N 1.192 120.096 119.070 -0.277 0.000 2.546 257 H HA 0.096 4.653 4.556 0.002 0.000 0.277 257 H C 1.412 176.640 175.328 -0.167 0.000 1.004 257 H CA 0.685 56.640 56.048 -0.156 0.000 1.231 257 H CB -0.891 28.743 29.762 -0.213 0.000 1.382 257 H HN 0.529 nan 8.280 nan 0.000 0.580 258 L N 0.535 121.412 121.223 -0.576 0.000 2.592 258 L HA 0.163 4.505 4.340 0.002 0.000 0.227 258 L C 1.493 178.171 176.870 -0.320 0.000 1.127 258 L CA 0.056 54.573 54.840 -0.539 0.000 0.884 258 L CB 0.113 41.749 42.059 -0.706 0.000 1.065 258 L HN 0.139 nan 8.230 nan 0.000 0.457 259 L N -0.122 120.928 121.223 -0.289 0.000 2.667 259 L HA 0.294 4.635 4.340 0.002 0.000 0.232 259 L C 1.379 178.199 176.870 -0.084 0.000 1.138 259 L CA 0.310 54.951 54.840 -0.331 0.000 0.921 259 L CB 0.152 41.846 42.059 -0.608 0.000 1.180 259 L HN 0.410 nan 8.230 nan 0.000 0.487 260 G N 0.625 109.400 108.800 -0.042 0.000 2.159 260 G HA2 -0.290 3.672 3.960 0.002 0.000 0.256 260 G HA3 -0.290 3.672 3.960 0.002 0.000 0.256 260 G C 0.011 174.937 174.900 0.043 0.000 0.977 260 G CA 0.154 45.264 45.100 0.016 0.000 0.652 260 G HN 0.440 nan 8.290 nan 0.000 0.531 261 N N -0.836 117.892 118.700 0.047 0.000 2.324 261 N HA 0.396 5.137 4.740 0.002 0.000 0.285 261 N C 1.069 176.527 175.510 -0.087 0.000 1.076 261 N CA -0.189 52.882 53.050 0.034 0.000 0.864 261 N CB 1.438 40.032 38.487 0.177 0.000 1.632 261 N HN 0.010 nan 8.380 nan 0.000 0.478 262 M N 2.585 121.908 119.600 -0.461 0.000 2.279 262 M HA 0.089 4.571 4.480 0.002 0.000 0.264 262 M C 0.397 176.340 176.300 -0.595 0.000 1.062 262 M CA 1.643 56.471 55.300 -0.787 0.000 1.099 262 M CB -0.063 31.509 32.600 -1.714 0.000 1.394 262 M HN 0.604 nan 8.290 nan 0.000 0.426 263 W N -0.558 120.903 121.300 0.268 0.000 3.005 263 W HA 0.569 5.230 4.660 0.002 0.000 0.374 263 W C 1.044 177.704 176.519 0.235 0.000 1.076 263 W CA 0.171 57.718 57.345 0.336 0.000 1.794 263 W CB -0.854 28.716 29.460 0.184 0.000 1.113 263 W HN 0.388 nan 8.180 nan 0.000 0.584 264 A N 1.966 124.976 122.820 0.318 0.000 2.799 264 A HA -0.347 3.974 4.320 0.002 0.000 0.287 264 A C 1.661 179.445 177.584 0.334 0.000 1.484 264 A CA 2.025 54.285 52.037 0.371 0.000 0.813 264 A CB -2.039 17.190 19.000 0.382 0.000 1.009 264 A HN 0.612 nan 8.150 nan 0.000 0.545 265 Q N -0.850 118.926 119.800 -0.040 0.000 2.389 265 Q HA 0.044 4.385 4.340 0.002 0.000 0.204 265 Q C 0.645 176.631 176.000 -0.024 0.000 0.944 265 Q CA 1.055 56.559 55.803 -0.498 0.000 0.908 265 Q CB -0.043 27.970 28.738 -1.209 0.000 1.002 265 Q HN 1.103 nan 8.270 nan 0.000 0.493 266 Q N -1.311 118.568 119.800 0.132 0.000 2.309 266 Q HA 0.264 4.605 4.340 0.002 0.000 0.273 266 Q C -1.310 174.885 176.000 0.325 0.000 1.040 266 Q CA -0.958 54.907 55.803 0.103 0.000 0.834 266 Q CB 0.658 29.466 28.738 0.118 0.000 1.345 266 Q HN 0.177 nan 8.270 nan 0.000 0.414 267 W N 1.567 122.919 121.300 0.087 0.000 3.102 267 W HA 0.181 4.842 4.660 0.002 0.000 0.401 267 W C 1.232 177.790 176.519 0.065 0.000 1.070 267 W CA -0.274 57.110 57.345 0.066 0.000 1.921 267 W CB -0.073 29.423 29.460 0.060 0.000 1.118 267 W HN 0.877 nan 8.180 nan 0.000 0.647 268 S N -0.497 115.353 115.700 0.250 0.000 2.481 268 S HA -0.124 4.347 4.470 0.002 0.000 0.231 268 S C 1.292 175.989 174.600 0.161 0.000 0.996 268 S CA 0.870 59.185 58.200 0.191 0.000 0.942 268 S CB -0.092 63.203 63.200 0.158 0.000 0.768 268 S HN 0.113 nan 8.310 nan 0.000 0.520 269 E N 1.705 121.991 120.200 0.143 0.000 2.338 269 E HA -0.014 4.338 4.350 0.002 0.000 0.197 269 E C 1.704 178.348 176.600 0.072 0.000 1.007 269 E CA 0.966 57.421 56.400 0.090 0.000 0.849 269 E CB -0.335 29.405 29.700 0.066 0.000 0.774 269 E HN 0.953 nan 8.360 nan 0.000 0.506 270 I N -3.614 117.013 120.570 0.095 0.000 3.976 270 I HA 0.355 4.527 4.170 0.002 0.000 0.337 270 I C 1.874 178.046 176.117 0.091 0.000 1.359 270 I CA -0.033 61.296 61.300 0.048 0.000 1.098 270 I CB 0.355 38.357 38.000 0.004 0.000 1.027 270 I HN -0.224 nan 8.210 nan 0.000 0.394 271 A N 2.590 125.498 122.820 0.147 0.000 1.986 271 A HA -0.269 4.053 4.320 0.002 0.000 0.220 271 A C 2.073 179.736 177.584 0.132 0.000 1.171 271 A CA 2.192 54.345 52.037 0.193 0.000 0.640 271 A CB -0.783 18.343 19.000 0.211 0.000 0.811 271 A HN 0.758 nan 8.150 nan 0.000 0.451 272 D N 0.531 120.975 120.400 0.074 0.000 2.310 272 D HA -0.127 4.515 4.640 0.002 0.000 0.212 272 D C 1.577 177.884 176.300 0.012 0.000 0.965 272 D CA 1.410 55.438 54.000 0.046 0.000 0.879 272 D CB -0.430 40.387 40.800 0.027 0.000 0.921 272 D HN 0.727 nan 8.370 nan 0.000 0.510 273 I N -1.257 119.300 120.570 -0.023 0.000 3.708 273 I HA 0.053 4.225 4.170 0.002 0.000 0.302 273 I C 1.754 177.844 176.117 -0.046 0.000 1.255 273 I CA -0.030 61.214 61.300 -0.093 0.000 1.362 273 I CB 0.431 38.249 38.000 -0.303 0.000 1.100 273 I HN -0.055 nan 8.210 nan 0.000 0.434 274 V N -0.903 119.042 119.914 0.051 0.000 3.276 274 V HA 0.333 4.455 4.120 0.002 0.000 0.319 274 V C 0.824 177.013 176.094 0.157 0.000 1.427 274 V CA -0.039 62.328 62.300 0.111 0.000 1.102 274 V CB -0.816 31.151 31.823 0.240 0.000 1.020 274 V HN 0.384 nan 8.190 nan 0.000 0.456 275 S N 0.620 116.382 115.700 0.104 0.000 2.549 275 S HA 0.421 4.893 4.470 0.002 0.000 0.279 275 S C -1.275 173.269 174.600 -0.093 0.000 1.321 275 S CA -0.512 57.712 58.200 0.039 0.000 1.054 275 S CB 1.099 64.359 63.200 0.101 0.000 0.899 275 S HN 0.257 nan 8.310 nan 0.000 0.497 276 P HA -0.009 nan 4.420 nan 0.000 0.216 276 P C -0.272 176.603 177.300 -0.709 0.000 1.150 276 P CA 1.243 64.016 63.100 -0.545 0.000 0.843 276 P CB -0.025 31.064 31.700 -1.017 0.000 0.787 277 F N -2.758 117.160 119.950 -0.054 0.000 2.686 277 F HA 0.340 4.869 4.527 0.002 0.000 0.365 277 F C -1.947 173.853 175.800 0.001 0.000 1.196 277 F CA -2.173 55.818 58.000 -0.015 0.000 1.198 277 F CB 1.230 40.191 39.000 -0.064 0.000 1.454 277 F HN -0.113 nan 8.300 nan 0.000 0.539 278 P HA -0.120 nan 4.420 nan 0.000 0.225 278 P C 0.842 178.194 177.300 0.087 0.000 1.148 278 P CA 1.310 64.463 63.100 0.087 0.000 0.779 278 P CB 0.263 31.994 31.700 0.053 0.000 0.780 279 E N -1.122 119.141 120.200 0.106 0.000 2.489 279 E HA 0.038 4.389 4.350 0.002 0.000 0.193 279 E C 0.412 177.043 176.600 0.052 0.000 1.057 279 E CA 0.382 56.825 56.400 0.071 0.000 0.866 279 E CB 0.156 29.898 29.700 0.069 0.000 0.916 279 E HN 0.254 nan 8.360 nan 0.000 0.500 280 K N 1.378 121.821 120.400 0.073 0.000 2.185 280 K HA 0.374 4.695 4.320 0.002 0.000 0.240 280 K C -2.536 174.086 176.600 0.036 0.000 0.983 280 K CA -2.505 53.793 56.287 0.017 0.000 0.873 280 K CB 0.636 33.127 32.500 -0.015 0.000 1.118 280 K HN -0.176 nan 8.250 nan 0.000 0.441 281 P HA 0.074 nan 4.420 nan 0.000 0.266 281 P C -0.701 176.699 177.300 0.167 0.000 1.195 281 P CA -0.342 62.809 63.100 0.084 0.000 0.768 281 P CB 0.373 32.112 31.700 0.065 0.000 0.838 282 L N 4.298 125.623 121.223 0.171 0.000 2.376 282 L HA 0.339 4.681 4.340 0.002 0.000 0.275 282 L C -0.900 176.064 176.870 0.156 0.000 0.987 282 L CA -0.804 54.140 54.840 0.173 0.000 0.828 282 L CB 1.969 44.110 42.059 0.136 0.000 1.249 282 L HN 0.028 nan 8.230 nan 0.000 0.409 283 V N 4.486 124.489 119.914 0.148 0.000 2.446 283 V HA 0.305 4.426 4.120 0.002 0.000 0.276 283 V C -0.382 175.748 176.094 0.060 0.000 1.030 283 V CA 0.093 62.436 62.300 0.072 0.000 1.033 283 V CB 0.721 32.547 31.823 0.005 0.000 0.993 283 V HN 0.779 nan 8.190 nan 0.000 0.477 284 D N 4.059 124.476 120.400 0.029 0.000 2.323 284 D HA 0.183 4.825 4.640 0.002 0.000 0.242 284 D C 0.203 176.481 176.300 -0.036 0.000 1.347 284 D CA -0.394 53.608 54.000 0.003 0.000 0.988 284 D CB 1.936 42.748 40.800 0.020 0.000 1.314 284 D HN 0.333 nan 8.370 nan 0.000 0.564 285 V N 1.394 121.261 119.914 -0.079 0.000 3.647 285 V HA 0.167 4.289 4.120 0.002 0.000 0.279 285 V C 1.608 177.610 176.094 -0.152 0.000 1.314 285 V CA 0.541 62.773 62.300 -0.114 0.000 1.125 285 V CB 0.048 31.790 31.823 -0.135 0.000 0.907 285 V HN 0.299 nan 8.190 nan 0.000 0.434 286 S N 2.111 117.733 115.700 -0.130 0.000 2.365 286 S HA -0.186 4.285 4.470 0.002 0.000 0.225 286 S C 2.252 176.785 174.600 -0.113 0.000 1.039 286 S CA 2.115 60.238 58.200 -0.128 0.000 1.033 286 S CB -0.553 62.594 63.200 -0.088 0.000 0.887 286 S HN 0.967 nan 8.310 nan 0.000 0.447 287 A N 1.390 124.163 122.820 -0.080 0.000 1.969 287 A HA -0.087 4.234 4.320 0.002 0.000 0.218 287 A C 2.073 179.611 177.584 -0.078 0.000 1.169 287 A CA 1.134 53.135 52.037 -0.060 0.000 0.635 287 A CB -0.355 18.624 19.000 -0.035 0.000 0.810 287 A HN 0.318 nan 8.150 nan 0.000 0.445 288 E N -0.330 119.809 120.200 -0.103 0.000 2.152 288 E HA -0.113 4.239 4.350 0.002 0.000 0.192 288 E C 2.026 178.502 176.600 -0.207 0.000 0.983 288 E CA 1.000 57.330 56.400 -0.118 0.000 0.818 288 E CB -0.356 29.278 29.700 -0.110 0.000 0.758 288 E HN 0.735 nan 8.360 nan 0.000 0.467 289 M N 0.356 119.755 119.600 -0.335 0.000 2.117 289 M HA -0.160 4.321 4.480 0.002 0.000 0.262 289 M C 2.073 178.248 176.300 -0.207 0.000 1.065 289 M CA 1.453 56.397 55.300 -0.594 0.000 1.114 289 M CB -0.269 31.961 32.600 -0.616 0.000 1.361 289 M HN 0.017 nan 8.290 nan 0.000 0.408 290 E N 0.321 120.459 120.200 -0.103 0.000 2.051 290 E HA -0.223 4.128 4.350 0.002 0.000 0.192 290 E C 2.023 178.629 176.600 0.011 0.000 0.991 290 E CA 1.155 57.548 56.400 -0.012 0.000 0.799 290 E CB -0.185 29.506 29.700 -0.014 0.000 0.748 290 E HN 0.422 nan 8.360 nan 0.000 0.449 291 K N 1.047 121.439 120.400 -0.013 0.000 2.063 291 K HA -0.190 4.131 4.320 0.002 0.000 0.208 291 K C 1.970 178.590 176.600 0.033 0.000 1.048 291 K CA 1.342 57.632 56.287 0.005 0.000 0.928 291 K CB 0.079 32.573 32.500 -0.010 0.000 0.713 291 K HN 0.056 nan 8.250 nan 0.000 0.442 292 Q N -0.914 118.915 119.800 0.048 0.000 2.482 292 Q HA 0.029 4.370 4.340 0.002 0.000 0.209 292 Q C 0.556 176.670 176.000 0.190 0.000 0.961 292 Q CA 0.546 56.425 55.803 0.126 0.000 0.945 292 Q CB 0.435 29.281 28.738 0.179 0.000 1.012 292 Q HN 0.621 nan 8.270 nan 0.000 0.515 293 G N 0.538 109.435 108.800 0.163 0.000 2.176 293 G HA2 -0.321 3.641 3.960 0.002 0.000 0.252 293 G HA3 -0.321 3.641 3.960 0.002 0.000 0.252 293 G C -0.278 174.750 174.900 0.212 0.000 1.024 293 G CA -0.266 44.923 45.100 0.148 0.000 0.755 293 G HN 0.425 nan 8.290 nan 0.000 0.507 294 Y N 1.094 121.409 120.300 0.025 0.000 2.788 294 Y HA 0.257 4.808 4.550 0.002 0.000 0.341 294 Y C 1.693 177.622 175.900 0.048 0.000 1.258 294 Y CA 1.024 59.147 58.100 0.038 0.000 1.503 294 Y CB 0.591 39.070 38.460 0.033 0.000 1.325 294 Y HN 0.424 nan 8.280 nan 0.000 0.614 295 T N -0.106 114.532 114.554 0.140 0.000 2.916 295 T HA 0.321 4.672 4.350 0.002 0.000 0.292 295 T C -2.308 172.493 174.700 0.169 0.000 1.064 295 T CA -2.250 59.929 62.100 0.132 0.000 1.011 295 T CB 1.961 70.880 68.868 0.085 0.000 1.152 295 T HN 0.168 nan 8.240 nan 0.000 0.510 296 P HA -0.104 nan 4.420 nan 0.000 0.215 296 P C 1.748 179.290 177.300 0.404 0.000 1.157 296 P CA 0.530 63.816 63.100 0.310 0.000 0.874 296 P CB -0.044 31.821 31.700 0.275 0.000 0.790 297 L N 0.069 121.457 121.223 0.276 0.000 2.013 297 L HA -0.210 4.131 4.340 0.002 0.000 0.212 297 L C 2.271 179.287 176.870 0.243 0.000 1.073 297 L CA 2.127 57.133 54.840 0.276 0.000 0.753 297 L CB -1.235 40.896 42.059 0.120 0.000 0.890 297 L HN -0.217 nan 8.230 nan 0.000 0.432 298 K N -0.531 119.927 120.400 0.097 0.000 2.063 298 K HA -0.182 4.139 4.320 0.002 0.000 0.208 298 K C 1.962 178.581 176.600 0.031 0.000 1.048 298 K CA 2.157 58.431 56.287 -0.022 0.000 0.928 298 K CB -0.370 31.986 32.500 -0.240 0.000 0.713 298 K HN 0.407 nan 8.250 nan 0.000 0.442 299 M N -0.917 118.743 119.600 0.100 0.000 2.086 299 M HA -0.089 4.393 4.480 0.002 0.000 0.261 299 M C 1.876 178.211 176.300 0.058 0.000 1.067 299 M CA 1.682 57.041 55.300 0.098 0.000 1.116 299 M CB -0.380 32.277 32.600 0.095 0.000 1.348 299 M HN 0.045 nan 8.290 nan 0.000 0.407 300 F N 0.679 120.757 119.950 0.212 0.000 2.134 300 F HA -0.230 4.298 4.527 0.002 0.000 0.299 300 F C 2.596 178.621 175.800 0.375 0.000 1.097 300 F CA 1.538 59.709 58.000 0.286 0.000 1.264 300 F CB -0.561 38.710 39.000 0.452 0.000 1.001 300 F HN 0.185 nan 8.300 nan 0.000 0.479 301 Q N -0.498 119.630 119.800 0.547 0.000 2.170 301 Q HA -0.231 4.110 4.340 0.002 0.000 0.203 301 Q C 2.222 178.372 176.000 0.249 0.000 0.976 301 Q CA 1.551 57.571 55.803 0.362 0.000 0.858 301 Q CB -0.297 28.502 28.738 0.102 0.000 0.907 301 Q HN 0.488 nan 8.270 nan 0.000 0.433 302 M N -0.222 119.490 119.600 0.186 0.000 2.067 302 M HA -0.126 4.356 4.480 0.002 0.000 0.260 302 M C 2.252 178.689 176.300 0.228 0.000 1.069 302 M CA 1.684 57.101 55.300 0.195 0.000 1.117 302 M CB -0.539 32.177 32.600 0.193 0.000 1.334 302 M HN 0.388 nan 8.290 nan 0.000 0.407 303 G N -0.230 108.581 108.800 0.019 0.000 2.440 303 G HA2 -0.293 3.669 3.960 0.002 0.000 0.218 303 G HA3 -0.293 3.669 3.960 0.002 0.000 0.218 303 G C 1.062 176.087 174.900 0.208 0.000 1.154 303 G CA 1.529 46.506 45.100 -0.205 0.000 0.767 303 G HN 0.422 nan 8.290 nan 0.000 0.552 304 D N 0.657 121.192 120.400 0.226 0.000 2.104 304 D HA -0.146 4.495 4.640 0.002 0.000 0.194 304 D C 2.058 178.525 176.300 0.279 0.000 0.994 304 D CA 1.450 55.599 54.000 0.249 0.000 0.830 304 D CB -0.408 40.578 40.800 0.309 0.000 0.959 304 D HN 0.265 nan 8.370 nan 0.000 0.452 305 D N -1.143 119.421 120.400 0.273 0.000 2.123 305 D HA -0.214 4.427 4.640 0.002 0.000 0.196 305 D C 2.029 178.495 176.300 0.278 0.000 0.992 305 D CA 0.956 55.108 54.000 0.254 0.000 0.833 305 D CB -0.622 40.342 40.800 0.273 0.000 0.954 305 D HN 0.341 nan 8.370 nan 0.000 0.455 306 F N -0.771 119.324 119.950 0.241 0.000 2.102 306 F HA -0.112 4.416 4.527 0.002 0.000 0.298 306 F C 1.944 177.685 175.800 -0.099 0.000 1.105 306 F CA 1.205 59.296 58.000 0.152 0.000 1.239 306 F CB -0.209 38.868 39.000 0.129 0.000 0.991 306 F HN -0.062 nan 8.300 nan 0.000 0.474 307 F N 0.417 120.505 119.950 0.230 0.000 2.102 307 F HA -0.231 4.298 4.527 0.002 0.000 0.298 307 F C 2.830 178.614 175.800 -0.027 0.000 1.105 307 F CA 1.865 59.892 58.000 0.045 0.000 1.239 307 F CB -1.290 37.672 39.000 -0.064 0.000 0.991 307 F HN 0.009 nan 8.300 nan 0.000 0.474 308 T N -2.747 111.907 114.554 0.168 0.000 2.881 308 T HA -0.210 4.142 4.350 0.002 0.000 0.270 308 T C 2.111 176.774 174.700 -0.062 0.000 1.068 308 T CA 1.212 63.340 62.100 0.046 0.000 1.131 308 T CB -0.944 67.956 68.868 0.054 0.000 0.871 308 T HN 0.328 nan 8.240 nan 0.000 0.479 309 S N 1.406 116.998 115.700 -0.180 0.000 2.442 309 S HA 0.022 4.493 4.470 0.002 0.000 0.236 309 S C 1.812 176.193 174.600 -0.365 0.000 1.007 309 S CA 0.688 58.624 58.200 -0.440 0.000 0.965 309 S CB -0.757 61.747 63.200 -1.161 0.000 0.773 309 S HN 0.589 nan 8.310 nan 0.000 0.504 310 M N 1.069 120.534 119.600 -0.224 0.000 2.453 310 M HA 0.315 4.797 4.480 0.002 0.000 0.239 310 M C 0.510 176.770 176.300 -0.065 0.000 1.151 310 M CA -0.038 55.183 55.300 -0.133 0.000 0.989 310 M CB -0.204 32.357 32.600 -0.066 0.000 1.548 310 M HN 0.319 nan 8.290 nan 0.000 0.479 311 N N 0.798 119.456 118.700 -0.069 0.000 2.818 311 N HA -0.142 4.599 4.740 0.002 0.000 0.250 311 N C -1.031 174.461 175.510 -0.030 0.000 1.108 311 N CA 0.598 53.617 53.050 -0.052 0.000 0.745 311 N CB -1.181 37.269 38.487 -0.061 0.000 1.104 311 N HN 0.376 nan 8.380 nan 0.000 0.557 312 L N -0.880 120.350 121.223 0.012 0.000 2.492 312 L HA 0.506 4.847 4.340 0.002 0.000 0.263 312 L C 0.921 177.802 176.870 0.017 0.000 1.062 312 L CA -0.782 54.082 54.840 0.039 0.000 0.817 312 L CB 0.659 42.792 42.059 0.124 0.000 1.441 312 L HN -0.026 nan 8.230 nan 0.000 0.493 313 T N 0.644 115.191 114.554 -0.011 0.000 2.817 313 T HA 0.190 4.542 4.350 0.002 0.000 0.293 313 T C -0.224 174.441 174.700 -0.059 0.000 0.964 313 T CA -0.672 61.405 62.100 -0.039 0.000 1.085 313 T CB 0.625 69.463 68.868 -0.051 0.000 0.921 313 T HN 0.415 nan 8.240 nan 0.000 0.502 314 K N 3.384 123.770 120.400 -0.022 0.000 2.355 314 K HA 0.275 4.597 4.320 0.002 0.000 0.270 314 K C -0.322 176.242 176.600 -0.060 0.000 1.003 314 K CA -0.625 55.660 56.287 -0.004 0.000 0.957 314 K CB 0.403 32.934 32.500 0.052 0.000 0.939 314 K HN 0.449 nan 8.250 nan 0.000 0.482 315 L N 3.685 124.840 121.223 -0.113 0.000 2.490 315 L HA 0.126 4.467 4.340 0.002 0.000 0.274 315 L C -1.560 175.285 176.870 -0.043 0.000 1.201 315 L CA -1.527 53.143 54.840 -0.282 0.000 0.869 315 L CB 0.029 41.632 42.059 -0.761 0.000 1.123 315 L HN 0.686 nan 8.230 nan 0.000 0.484 316 P HA 0.117 nan 4.420 nan 0.000 0.278 316 P C -0.341 177.049 177.300 0.150 0.000 1.266 316 P CA -0.622 62.520 63.100 0.070 0.000 0.807 316 P CB 0.928 32.653 31.700 0.042 0.000 1.094 317 Q N 0.288 120.199 119.800 0.186 0.000 2.170 317 Q HA -0.137 4.204 4.340 0.002 0.000 0.203 317 Q C 1.357 177.452 176.000 0.158 0.000 0.976 317 Q CA 1.667 57.617 55.803 0.245 0.000 0.858 317 Q CB -0.698 28.130 28.738 0.150 0.000 0.907 317 Q HN 0.474 nan 8.270 nan 0.000 0.433 318 D N -0.116 120.320 120.400 0.061 0.000 2.178 318 D HA -0.121 4.520 4.640 0.002 0.000 0.201 318 D C 1.575 177.832 176.300 -0.073 0.000 0.980 318 D CA 0.428 54.411 54.000 -0.028 0.000 0.842 318 D CB -0.304 40.450 40.800 -0.077 0.000 0.948 318 D HN 0.187 nan 8.370 nan 0.000 0.472 319 F N -0.091 119.745 119.950 -0.191 0.000 2.069 319 F HA -0.189 4.340 4.527 0.003 0.000 0.298 319 F C 1.926 177.545 175.800 -0.301 0.000 1.113 319 F CA 1.607 59.413 58.000 -0.323 0.000 1.214 319 F CB -0.565 38.132 39.000 -0.505 0.000 0.978 319 F HN -0.016 nan 8.300 nan 0.000 0.474 320 W N 0.776 122.139 121.300 0.104 0.000 2.358 320 W HA -0.168 4.493 4.660 0.002 0.000 0.303 320 W C 2.246 178.696 176.519 -0.116 0.000 1.208 320 W CA 0.706 58.050 57.345 -0.002 0.000 1.274 320 W CB -0.580 28.941 29.460 0.100 0.000 1.138 320 W HN -0.023 nan 8.180 nan 0.000 0.515 321 D N 0.046 120.512 120.400 0.110 0.000 2.144 321 D HA -0.117 4.525 4.640 0.002 0.000 0.200 321 D C 1.563 177.807 176.300 -0.094 0.000 0.978 321 D CA 1.458 55.461 54.000 0.005 0.000 0.833 321 D CB -0.267 40.522 40.800 -0.017 0.000 0.961 321 D HN 0.218 nan 8.370 nan 0.000 0.470 322 K N -0.439 119.835 120.400 -0.211 0.000 2.402 322 K HA 0.216 4.537 4.320 0.002 0.000 0.203 322 K C 0.376 176.802 176.600 -0.289 0.000 1.077 322 K CA -0.124 55.999 56.287 -0.273 0.000 1.051 322 K CB 1.094 33.336 32.500 -0.430 0.000 0.907 322 K HN -0.147 nan 8.250 nan 0.000 0.554 323 S N 1.227 116.680 115.700 -0.411 0.000 2.573 323 S HA 0.194 4.666 4.470 0.002 0.000 0.277 323 S C 0.186 174.708 174.600 -0.131 0.000 1.346 323 S CA -0.019 57.943 58.200 -0.396 0.000 1.034 323 S CB 0.535 63.145 63.200 -0.983 0.000 0.879 323 S HN 0.131 nan 8.310 nan 0.000 0.528 324 I N 3.090 123.666 120.570 0.009 0.000 2.355 324 I HA 0.302 4.473 4.170 0.002 0.000 0.288 324 I C 0.643 176.723 176.117 -0.062 0.000 0.999 324 I CA -0.146 61.146 61.300 -0.013 0.000 1.163 324 I CB 1.010 39.004 38.000 -0.010 0.000 1.316 324 I HN 0.665 nan 8.210 nan 0.000 0.454 325 I N 1.580 122.103 120.570 -0.078 0.000 4.081 325 I HA 0.486 4.658 4.170 0.002 0.000 0.333 325 I C -0.052 176.110 176.117 0.076 0.000 1.413 325 I CA -0.045 61.220 61.300 -0.058 0.000 1.110 325 I CB 0.312 38.152 38.000 -0.266 0.000 1.082 325 I HN 0.436 nan 8.210 nan 0.000 0.402 326 E N 1.604 121.834 120.200 0.049 0.000 2.408 326 E HA 0.376 4.728 4.350 0.002 0.000 0.275 326 E C -1.295 175.325 176.600 0.033 0.000 0.935 326 E CA -1.053 55.385 56.400 0.063 0.000 0.775 326 E CB 2.463 32.198 29.700 0.058 0.000 1.277 326 E HN 0.087 nan 8.360 nan 0.000 0.455 327 K N 2.234 122.653 120.400 0.031 0.000 2.368 327 K HA 0.191 4.512 4.320 0.002 0.000 0.282 327 K C -2.274 174.329 176.600 0.005 0.000 1.035 327 K CA -1.282 55.013 56.287 0.012 0.000 0.973 327 K CB 0.223 32.732 32.500 0.016 0.000 0.957 327 K HN 0.114 nan 8.250 nan 0.000 0.474 328 P HA -0.041 nan 4.420 nan 0.000 0.266 328 P C -0.056 177.242 177.300 -0.003 0.000 1.193 328 P CA -0.073 63.020 63.100 -0.012 0.000 0.770 328 P CB 0.691 32.375 31.700 -0.027 0.000 0.836 329 T N -0.653 113.902 114.554 0.001 0.000 2.894 329 T HA -0.035 4.316 4.350 0.002 0.000 0.258 329 T C 0.376 175.078 174.700 0.003 0.000 1.043 329 T CA 0.871 62.974 62.100 0.005 0.000 1.141 329 T CB -0.686 68.187 68.868 0.007 0.000 0.873 329 T HN 0.652 nan 8.240 nan 0.000 0.449 330 D N 1.213 121.612 120.400 -0.000 0.000 2.319 330 D HA 0.229 4.870 4.640 0.002 0.000 0.235 330 D C 0.842 177.142 176.300 -0.001 0.000 1.304 330 D CA -0.148 53.852 54.000 -0.000 0.000 0.894 330 D CB 0.095 40.892 40.800 -0.003 0.000 1.183 330 D HN 0.198 nan 8.370 nan 0.000 0.472 331 G N -0.402 108.399 108.800 0.001 0.000 3.717 331 G HA2 0.218 4.179 3.960 0.002 0.000 0.258 331 G HA3 0.218 4.179 3.960 0.002 0.000 0.258 331 G C 0.098 174.997 174.900 -0.001 0.000 1.088 331 G CA -0.766 44.335 45.100 0.003 0.000 1.737 331 G HN 0.584 nan 8.290 nan 0.000 0.648 332 R N 0.065 120.560 120.500 -0.009 0.000 2.664 332 R HA 0.436 4.778 4.340 0.002 0.000 0.286 332 R C -1.523 174.762 176.300 -0.025 0.000 0.967 332 R CA -0.807 55.283 56.100 -0.017 0.000 0.933 332 R CB 1.693 31.978 30.300 -0.025 0.000 1.146 332 R HN -0.054 nan 8.270 nan 0.000 0.468 333 D N 3.300 123.683 120.400 -0.030 0.000 2.313 333 D HA 0.448 5.089 4.640 0.002 0.000 0.247 333 D C 0.351 176.602 176.300 -0.082 0.000 1.094 333 D CA -0.045 53.932 54.000 -0.039 0.000 0.925 333 D CB 1.524 42.307 40.800 -0.028 0.000 1.188 333 D HN 0.579 nan 8.370 nan 0.000 0.430 334 L N -3.017 118.156 121.223 -0.083 0.000 3.170 334 L HA 0.417 4.759 4.340 0.002 0.000 0.286 334 L C -1.774 175.055 176.870 -0.068 0.000 1.006 334 L CA -1.074 53.687 54.840 -0.131 0.000 0.993 334 L CB 1.342 43.315 42.059 -0.143 0.000 1.549 334 L HN 0.036 nan 8.230 nan 0.000 0.387 335 V N 0.834 120.705 119.914 -0.072 0.000 2.348 335 V HA 0.192 4.314 4.120 0.002 0.000 0.270 335 V C 0.733 176.834 176.094 0.011 0.000 1.037 335 V CA -0.100 62.217 62.300 0.028 0.000 0.872 335 V CB 0.734 32.604 31.823 0.078 0.000 1.002 335 V HN 0.947 nan 8.190 nan 0.000 0.464 336 c N 3.176 121.802 118.600 0.043 0.000 2.594 336 c HA 0.076 4.647 4.570 0.002 0.000 0.265 336 c C 1.415 175.491 174.090 -0.023 0.000 1.351 336 c CA -0.046 56.294 56.329 0.017 0.000 1.744 336 c CB -1.322 41.208 42.510 0.033 0.000 1.890 336 c HN 0.944 nan 8.230 nan 0.000 0.551 337 H N 0.912 119.878 119.070 -0.174 0.000 3.070 337 H HA 0.340 4.898 4.556 0.002 0.000 0.313 337 H C 0.629 175.825 175.328 -0.220 0.000 0.997 337 H CA 0.585 56.416 56.048 -0.361 0.000 1.438 337 H CB 0.487 29.545 29.762 -1.174 0.000 1.455 337 H HN 0.462 nan 8.280 nan 0.000 0.575 338 A N 4.253 126.874 122.820 -0.332 0.000 2.483 338 A HA 0.429 4.751 4.320 0.002 0.000 0.238 338 A C -0.179 177.502 177.584 0.161 0.000 1.070 338 A CA 0.362 52.394 52.037 -0.008 0.000 0.770 338 A CB 0.028 19.036 19.000 0.014 0.000 1.008 338 A HN 0.859 nan 8.150 nan 0.000 0.497 339 S N -0.203 115.667 115.700 0.283 0.000 2.570 339 S HA 0.825 5.297 4.470 0.002 0.000 0.270 339 S C -0.718 174.136 174.600 0.423 0.000 1.149 339 S CA -0.161 58.216 58.200 0.295 0.000 0.837 339 S CB 1.539 64.927 63.200 0.313 0.000 1.124 339 S HN 2.200 nan 8.310 nan 0.000 0.465 340 A N 0.664 123.626 122.820 0.237 0.000 2.393 340 A HA 0.799 5.120 4.320 0.002 0.000 0.306 340 A C -2.052 175.714 177.584 0.303 0.000 1.050 340 A CA -0.721 51.571 52.037 0.424 0.000 0.724 340 A CB 0.797 20.001 19.000 0.340 0.000 1.248 340 A HN 0.794 nan 8.150 nan 0.000 0.424 341 W N 1.187 122.731 121.300 0.406 0.000 2.830 341 W HA 0.471 5.133 4.660 0.003 0.000 0.335 341 W C -0.885 175.391 176.519 -0.406 0.000 1.043 341 W CA -0.181 57.135 57.345 -0.049 0.000 1.239 341 W CB 1.979 31.464 29.460 0.041 0.000 1.378 341 W HN 0.676 nan 8.180 nan 0.000 0.456 342 D N 2.047 121.846 120.400 -1.001 0.000 2.233 342 D HA 0.287 4.928 4.640 0.002 0.000 0.240 342 D C -0.145 175.534 176.300 -1.035 0.000 1.074 342 D CA -0.459 52.806 54.000 -1.226 0.000 0.838 342 D CB 0.944 40.520 40.800 -2.040 0.000 1.124 342 D HN 0.234 nan 8.370 nan 0.000 0.475 343 F N 2.390 122.097 119.950 -0.406 0.000 2.727 343 F HA 0.154 4.682 4.527 0.002 0.000 0.302 343 F C 0.428 176.224 175.800 -0.006 0.000 1.097 343 F CA -0.324 57.585 58.000 -0.152 0.000 1.330 343 F CB -0.240 38.697 39.000 -0.105 0.000 1.084 343 F HN 0.434 nan 8.300 nan 0.000 0.578 344 Y N -1.413 118.940 120.300 0.088 0.000 4.490 344 Y HA -0.282 4.269 4.550 0.002 0.000 0.233 344 Y C 0.673 176.641 175.900 0.113 0.000 1.101 344 Y CA -0.336 57.835 58.100 0.117 0.000 2.010 344 Y CB -2.171 36.394 38.460 0.175 0.000 1.622 344 Y HN 0.031 nan 8.280 nan 0.000 0.675 345 L N -1.448 119.882 121.223 0.180 0.000 2.731 345 L HA 0.578 4.920 4.340 0.002 0.000 0.199 345 L C 0.780 177.716 176.870 0.110 0.000 1.976 345 L CA -0.584 54.332 54.840 0.127 0.000 2.802 345 L CB 0.340 42.449 42.059 0.085 0.000 2.882 345 L HN -0.101 nan 8.230 nan 0.000 0.651 346 T N -0.102 114.500 114.554 0.079 0.000 2.786 346 T HA 0.262 4.613 4.350 0.002 0.000 0.283 346 T C -0.821 173.914 174.700 0.058 0.000 0.992 346 T CA -0.334 61.813 62.100 0.079 0.000 0.954 346 T CB 1.221 70.131 68.868 0.069 0.000 0.934 346 T HN 0.534 nan 8.240 nan 0.000 0.440 347 D N 1.023 121.461 120.400 0.064 0.000 3.079 347 D HA -0.131 4.511 4.640 0.002 0.000 0.214 347 D C -0.142 176.183 176.300 0.041 0.000 1.145 347 D CA 1.104 55.135 54.000 0.051 0.000 0.958 347 D CB -0.580 40.243 40.800 0.039 0.000 1.117 347 D HN 0.595 nan 8.370 nan 0.000 0.416 348 D N 0.673 121.098 120.400 0.042 0.000 2.479 348 D HA 0.344 4.985 4.640 0.002 0.000 0.218 348 D C -0.319 176.053 176.300 0.121 0.000 1.131 348 D CA -0.415 53.587 54.000 0.003 0.000 0.916 348 D CB 0.310 41.074 40.800 -0.059 0.000 1.022 348 D HN 0.087 nan 8.370 nan 0.000 0.515 349 V N 1.023 121.020 119.914 0.137 0.000 2.876 349 V HA 0.807 4.928 4.120 0.002 0.000 0.312 349 V C -0.425 175.833 176.094 0.273 0.000 1.085 349 V CA -0.959 61.511 62.300 0.284 0.000 0.945 349 V CB 2.152 34.171 31.823 0.327 0.000 1.017 349 V HN 0.319 nan 8.190 nan 0.000 0.428 350 R N 2.671 123.377 120.500 0.343 0.000 2.734 350 R HA 0.751 5.092 4.340 0.002 0.000 0.271 350 R C -1.680 174.833 176.300 0.355 0.000 1.021 350 R CA -0.801 55.341 56.100 0.070 0.000 0.893 350 R CB 2.637 32.713 30.300 -0.373 0.000 1.244 350 R HN 0.753 nan 8.270 nan 0.000 0.464 351 I N 0.955 121.615 120.570 0.151 0.000 2.569 351 I HA 0.374 4.545 4.170 0.002 0.000 0.296 351 I C -0.733 175.593 176.117 0.349 0.000 1.028 351 I CA -0.780 60.757 61.300 0.395 0.000 1.082 351 I CB 2.312 40.559 38.000 0.413 0.000 1.264 351 I HN 0.345 nan 8.210 nan 0.000 0.429 352 K N 5.930 126.591 120.400 0.435 0.000 2.394 352 K HA 0.482 4.803 4.320 0.002 0.000 0.260 352 K C -1.190 175.528 176.600 0.197 0.000 0.967 352 K CA -0.452 55.957 56.287 0.203 0.000 0.855 352 K CB 1.286 33.786 32.500 -0.000 0.000 1.101 352 K HN 0.603 nan 8.250 nan 0.000 0.433 353 Q N 3.814 123.709 119.800 0.157 0.000 2.315 353 Q HA 0.289 4.630 4.340 0.002 0.000 0.273 353 Q C -1.356 174.725 176.000 0.135 0.000 1.053 353 Q CA -0.832 55.084 55.803 0.188 0.000 0.817 353 Q CB 1.705 30.659 28.738 0.360 0.000 1.326 353 Q HN 0.776 nan 8.270 nan 0.000 0.423 354 c N 3.569 122.222 118.600 0.089 0.000 3.247 354 c HA 0.209 4.780 4.570 0.002 0.000 0.573 354 c C 0.340 174.488 174.090 0.096 0.000 1.106 354 c CA -0.234 56.137 56.329 0.070 0.000 1.209 354 c CB -1.934 40.598 42.510 0.037 0.000 1.460 354 c HN 0.646 nan 8.230 nan 0.000 0.634 355 T N 2.911 117.558 114.554 0.156 0.000 2.849 355 T HA 0.011 4.362 4.350 0.002 0.000 0.289 355 T C 0.492 175.263 174.700 0.117 0.000 1.010 355 T CA 0.984 63.192 62.100 0.180 0.000 1.161 355 T CB 0.173 69.222 68.868 0.301 0.000 0.989 355 T HN 0.614 nan 8.240 nan 0.000 0.523 356 R N 1.771 122.322 120.500 0.085 0.000 2.740 356 R HA 0.486 4.828 4.340 0.002 0.000 0.282 356 R C -0.807 175.525 176.300 0.053 0.000 0.969 356 R CA -0.893 55.242 56.100 0.058 0.000 0.918 356 R CB 1.776 32.094 30.300 0.031 0.000 1.175 356 R HN 0.354 nan 8.270 nan 0.000 0.464 357 V N 3.080 123.024 119.914 0.050 0.000 2.276 357 V HA 0.164 4.286 4.120 0.002 0.000 0.249 357 V C 0.120 176.205 176.094 -0.016 0.000 1.160 357 V CA 0.057 62.386 62.300 0.048 0.000 1.042 357 V CB -0.276 31.594 31.823 0.078 0.000 1.224 357 V HN 0.936 nan 8.190 nan 0.000 0.496 358 T N -0.226 114.298 114.554 -0.050 0.000 2.843 358 T HA 0.342 4.693 4.350 0.002 0.000 0.302 358 T C 0.544 175.134 174.700 -0.184 0.000 1.232 358 T CA -0.481 61.559 62.100 -0.101 0.000 1.009 358 T CB 2.108 70.929 68.868 -0.077 0.000 1.254 358 T HN 0.271 nan 8.240 nan 0.000 0.504 359 Q N 0.277 119.930 119.800 -0.246 0.000 2.050 359 Q HA -0.188 4.154 4.340 0.002 0.000 0.202 359 Q C 1.579 177.153 176.000 -0.711 0.000 0.980 359 Q CA 2.518 58.053 55.803 -0.446 0.000 0.840 359 Q CB -0.409 28.120 28.738 -0.349 0.000 0.898 359 Q HN 0.839 nan 8.270 nan 0.000 0.424 360 D N -0.565 119.596 120.400 -0.399 0.000 2.117 360 D HA -0.191 4.450 4.640 0.002 0.000 0.197 360 D C 1.962 178.155 176.300 -0.179 0.000 0.987 360 D CA 1.174 55.021 54.000 -0.256 0.000 0.829 360 D CB 0.049 40.821 40.800 -0.046 0.000 0.961 360 D HN 0.265 nan 8.370 nan 0.000 0.460 361 Q N -0.394 119.322 119.800 -0.140 0.000 2.170 361 Q HA -0.129 4.213 4.340 0.002 0.000 0.203 361 Q C 2.242 178.203 176.000 -0.065 0.000 0.976 361 Q CA 0.533 56.298 55.803 -0.063 0.000 0.858 361 Q CB -0.346 28.378 28.738 -0.024 0.000 0.907 361 Q HN 0.365 nan 8.270 nan 0.000 0.433 362 L N 0.090 121.218 121.223 -0.157 0.000 2.046 362 L HA -0.145 4.197 4.340 0.002 0.000 0.208 362 L C 1.910 178.850 176.870 0.117 0.000 1.077 362 L CA 1.543 56.350 54.840 -0.056 0.000 0.747 362 L CB -0.550 41.426 42.059 -0.139 0.000 0.896 362 L HN 0.009 nan 8.230 nan 0.000 0.432 363 F N -0.553 119.395 119.950 -0.003 0.000 2.134 363 F HA -0.136 4.393 4.527 0.003 0.000 0.299 363 F C 2.542 178.359 175.800 0.029 0.000 1.097 363 F CA 1.440 59.413 58.000 -0.046 0.000 1.264 363 F CB -2.009 36.931 39.000 -0.100 0.000 1.001 363 F HN 0.021 nan 8.300 nan 0.000 0.479 364 T N 0.133 114.803 114.554 0.193 0.000 2.759 364 T HA -0.132 4.219 4.350 0.002 0.000 0.269 364 T C 2.346 177.130 174.700 0.140 0.000 1.042 364 T CA 1.323 63.511 62.100 0.147 0.000 1.140 364 T CB -0.647 68.264 68.868 0.073 0.000 0.864 364 T HN 0.062 nan 8.240 nan 0.000 0.455 365 V N 1.024 120.951 119.914 0.022 0.000 2.343 365 V HA -0.209 3.913 4.120 0.002 0.000 0.247 365 V C 2.254 178.286 176.094 -0.103 0.000 1.051 365 V CA 1.844 64.008 62.300 -0.227 0.000 1.036 365 V CB -0.637 30.849 31.823 -0.563 0.000 0.654 365 V HN 0.552 nan 8.190 nan 0.000 0.451 366 H N -1.434 117.617 119.070 -0.031 0.000 2.395 366 H HA -0.093 4.465 4.556 0.002 0.000 0.299 366 H C 2.197 177.529 175.328 0.006 0.000 1.070 366 H CA 1.660 57.699 56.048 -0.015 0.000 1.356 366 H CB -0.407 29.276 29.762 -0.131 0.000 1.401 366 H HN 0.630 nan 8.280 nan 0.000 0.524 367 H N 1.137 120.253 119.070 0.076 0.000 2.265 367 H HA -0.140 4.417 4.556 0.002 0.000 0.295 367 H C 1.830 177.169 175.328 0.018 0.000 1.084 367 H CA 2.105 58.157 56.048 0.007 0.000 1.261 367 H CB 0.257 30.047 29.762 0.046 0.000 1.360 367 H HN 0.249 nan 8.280 nan 0.000 0.487 368 E N 0.468 120.790 120.200 0.204 0.000 2.110 368 E HA -0.139 4.213 4.350 0.002 0.000 0.193 368 E C 2.617 179.277 176.600 0.099 0.000 0.988 368 E CA 0.944 57.502 56.400 0.263 0.000 0.804 368 E CB -0.367 29.568 29.700 0.391 0.000 0.745 368 E HN 0.559 nan 8.360 nan 0.000 0.458 369 L N 0.464 121.704 121.223 0.029 0.000 2.201 369 L HA -0.050 4.292 4.340 0.002 0.000 0.212 369 L C 2.415 179.053 176.870 -0.387 0.000 1.105 369 L CA 0.948 55.689 54.840 -0.166 0.000 0.775 369 L CB -0.587 41.401 42.059 -0.118 0.000 0.913 369 L HN 0.179 nan 8.230 nan 0.000 0.440 370 G N -1.223 107.476 108.800 -0.169 0.000 2.422 370 G HA2 -0.238 3.724 3.960 0.002 0.000 0.218 370 G HA3 -0.238 3.724 3.960 0.002 0.000 0.218 370 G C 1.366 176.045 174.900 -0.367 0.000 1.146 370 G CA 0.356 45.329 45.100 -0.211 0.000 0.769 370 G HN 0.344 nan 8.290 nan 0.000 0.547 371 H N 0.545 119.428 119.070 -0.312 0.000 2.321 371 H HA -0.025 4.532 4.556 0.002 0.000 0.300 371 H C 2.776 177.508 175.328 -0.994 0.000 1.087 371 H CA 1.092 56.877 56.048 -0.438 0.000 1.319 371 H CB -0.188 29.345 29.762 -0.382 0.000 1.379 371 H HN 0.188 nan 8.280 nan 0.000 0.501 372 I N 0.992 121.217 120.570 -0.574 0.000 2.208 372 I HA -0.261 3.911 4.170 0.002 0.000 0.245 372 I C 2.613 178.457 176.117 -0.455 0.000 1.097 372 I CA 1.193 62.218 61.300 -0.459 0.000 1.363 372 I CB -0.937 36.929 38.000 -0.223 0.000 1.051 372 I HN 0.221 nan 8.210 nan 0.000 0.413 373 Q N 0.572 120.025 119.800 -0.579 0.000 2.061 373 Q HA -0.256 4.086 4.340 0.002 0.000 0.204 373 Q C 2.305 178.117 176.000 -0.313 0.000 0.984 373 Q CA 1.893 57.383 55.803 -0.521 0.000 0.846 373 Q CB -0.711 27.568 28.738 -0.765 0.000 0.902 373 Q HN 0.589 nan 8.270 nan 0.000 0.421 374 Y N -1.023 118.965 120.300 -0.520 0.000 2.242 374 Y HA -0.247 4.304 4.550 0.002 0.000 0.291 374 Y C 1.446 176.830 175.900 -0.861 0.000 1.137 374 Y CA 0.559 58.314 58.100 -0.575 0.000 1.181 374 Y CB 0.041 38.061 38.460 -0.734 0.000 0.989 374 Y HN 0.162 nan 8.280 nan 0.000 0.527 375 F N 0.056 119.719 119.950 -0.478 0.000 2.126 375 F HA -0.294 4.234 4.527 0.002 0.000 0.299 375 F C 2.096 177.678 175.800 -0.362 0.000 1.096 375 F CA 1.167 58.826 58.000 -0.569 0.000 1.255 375 F CB -1.310 37.574 39.000 -0.193 0.000 0.997 375 F HN 0.048 nan 8.300 nan 0.000 0.479 376 L N -0.855 120.354 121.223 -0.024 0.000 2.109 376 L HA -0.139 4.203 4.340 0.002 0.000 0.207 376 L C 2.565 179.475 176.870 0.066 0.000 1.086 376 L CA 0.754 55.608 54.840 0.024 0.000 0.760 376 L CB -0.659 41.379 42.059 -0.037 0.000 0.910 376 L HN 0.090 nan 8.230 nan 0.000 0.437 377 Q N 0.058 119.874 119.800 0.027 0.000 2.124 377 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 377 Q C 1.741 177.959 176.000 0.363 0.000 0.977 377 Q CA 1.539 57.438 55.803 0.161 0.000 0.850 377 Q CB -0.155 28.661 28.738 0.131 0.000 0.901 377 Q HN 0.720 nan 8.270 nan 0.000 0.429 378 Y N -0.137 120.351 120.300 0.313 0.000 2.485 378 Y HA 0.253 4.804 4.550 0.002 0.000 0.260 378 Y C 1.569 177.538 175.900 0.115 0.000 1.173 378 Y CA -0.260 57.961 58.100 0.202 0.000 1.252 378 Y CB -0.893 37.651 38.460 0.139 0.000 1.123 378 Y HN 0.097 nan 8.280 nan 0.000 0.524 379 Q N 0.707 120.776 119.800 0.448 0.000 2.437 379 Q HA -0.167 4.174 4.340 0.002 0.000 0.210 379 Q C 0.940 177.103 176.000 0.273 0.000 0.972 379 Q CA 1.601 57.610 55.803 0.344 0.000 0.903 379 Q CB -0.823 28.062 28.738 0.246 0.000 0.967 379 Q HN 0.721 nan 8.270 nan 0.000 0.486 380 H N -0.948 118.240 119.070 0.196 0.000 2.563 380 H HA 0.226 4.784 4.556 0.002 0.000 0.264 380 H C 0.176 175.589 175.328 0.141 0.000 0.957 380 H CA -0.237 55.899 56.048 0.146 0.000 1.173 380 H CB -0.028 29.811 29.762 0.128 0.000 1.420 380 H HN 0.135 nan 8.280 nan 0.000 0.551 381 Q N 2.492 122.056 119.800 -0.393 0.000 2.454 381 Q HA 0.202 4.543 4.340 0.002 0.000 0.247 381 Q C -2.062 173.904 176.000 -0.057 0.000 1.028 381 Q CA -1.688 53.984 55.803 -0.217 0.000 0.910 381 Q CB 0.496 29.138 28.738 -0.159 0.000 1.276 381 Q HN 0.282 nan 8.270 nan 0.000 0.489 382 P HA -0.079 nan 4.420 nan 0.000 0.269 382 P C 0.442 177.674 177.300 -0.115 0.000 1.217 382 P CA 0.027 63.061 63.100 -0.110 0.000 0.783 382 P CB 0.286 31.822 31.700 -0.275 0.000 0.898 383 F N 3.159 122.991 119.950 -0.196 0.000 2.120 383 F HA -0.249 4.279 4.527 0.002 0.000 0.300 383 F C 1.807 177.465 175.800 -0.236 0.000 1.095 383 F CA 2.191 60.081 58.000 -0.184 0.000 1.249 383 F CB -0.944 37.924 39.000 -0.221 0.000 0.995 383 F HN 0.094 nan 8.300 nan 0.000 0.480 384 V N -2.013 117.678 119.914 -0.371 0.000 2.594 384 V HA -0.263 3.859 4.120 0.002 0.000 0.253 384 V C 1.756 177.638 176.094 -0.352 0.000 1.069 384 V CA 1.561 63.583 62.300 -0.463 0.000 1.082 384 V CB -1.639 29.964 31.823 -0.367 0.000 0.680 384 V HN 0.396 nan 8.190 nan 0.000 0.469 385 Y N 0.772 120.849 120.300 -0.371 0.000 2.466 385 Y HA 0.403 4.954 4.550 0.002 0.000 0.272 385 Y C 1.673 177.236 175.900 -0.562 0.000 1.169 385 Y CA -0.776 57.103 58.100 -0.368 0.000 1.285 385 Y CB -0.408 37.894 38.460 -0.264 0.000 1.078 385 Y HN 0.282 nan 8.280 nan 0.000 0.523 386 R N 0.544 120.743 120.500 -0.502 0.000 4.138 386 R HA 0.251 4.592 4.340 0.002 0.000 0.206 386 R C 0.038 175.744 176.300 -0.989 0.000 1.667 386 R CA 0.151 55.761 56.100 -0.818 0.000 1.481 386 R CB -0.031 30.162 30.300 -0.178 0.000 1.388 386 R HN -0.007 nan 8.270 nan 0.000 0.776 387 T N -1.328 112.512 114.554 -1.190 0.000 2.718 387 T HA 0.399 4.751 4.350 0.002 0.000 0.306 387 T C -0.358 174.082 174.700 -0.433 0.000 1.485 387 T CA -0.447 61.347 62.100 -0.510 0.000 0.997 387 T CB 1.292 69.986 68.868 -0.290 0.000 1.504 387 T HN 0.444 nan 8.240 nan 0.000 0.497 388 G N 0.489 109.232 108.800 -0.094 0.000 2.594 388 G HA2 0.481 4.442 3.960 0.002 0.000 0.243 388 G HA3 0.481 4.442 3.960 0.002 0.000 0.243 388 G C 1.365 176.182 174.900 -0.138 0.000 1.229 388 G CA 0.184 45.155 45.100 -0.215 0.000 0.843 388 G HN 1.080 nan 8.290 nan 0.000 0.578 389 A N 1.525 124.293 122.820 -0.087 0.000 1.917 389 A HA -0.035 4.287 4.320 0.002 0.000 0.219 389 A C 1.293 178.703 177.584 -0.290 0.000 1.182 389 A CA 2.151 54.016 52.037 -0.286 0.000 0.633 389 A CB -0.578 18.053 19.000 -0.616 0.000 0.819 389 A HN 1.121 nan 8.150 nan 0.000 0.448 390 N N -4.256 114.261 118.700 -0.305 0.000 2.610 390 N HA 0.423 5.164 4.740 0.002 0.000 0.264 390 N C -3.013 172.457 175.510 -0.066 0.000 1.348 390 N CA -1.842 51.059 53.050 -0.249 0.000 0.819 390 N CB 0.656 38.935 38.487 -0.347 0.000 1.521 390 N HN -0.260 nan 8.380 nan 0.000 0.497 391 P HA 0.044 nan 4.420 nan 0.000 0.220 391 P C 1.236 178.616 177.300 0.134 0.000 1.148 391 P CA 1.734 64.812 63.100 -0.037 0.000 0.803 391 P CB -0.023 31.569 31.700 -0.179 0.000 0.782 392 G N -1.375 107.567 108.800 0.236 0.000 2.408 392 G HA2 -0.234 3.727 3.960 0.002 0.000 0.217 392 G HA3 -0.234 3.727 3.960 0.002 0.000 0.217 392 G C 1.312 176.416 174.900 0.340 0.000 1.150 392 G CA 0.214 45.461 45.100 0.245 0.000 0.776 392 G HN 0.213 nan 8.290 nan 0.000 0.542 393 F N -0.077 119.986 119.950 0.188 0.000 2.161 393 F HA -0.107 4.421 4.527 0.002 0.000 0.300 393 F C 2.692 178.715 175.800 0.372 0.000 1.089 393 F CA 1.162 59.352 58.000 0.316 0.000 1.282 393 F CB -0.089 39.136 39.000 0.375 0.000 1.010 393 F HN 0.142 nan 8.300 nan 0.000 0.485 394 H N 0.474 119.852 119.070 0.514 0.000 2.389 394 H HA -0.099 4.459 4.556 0.002 0.000 0.299 394 H C 1.971 177.418 175.328 0.198 0.000 1.081 394 H CA 1.431 57.751 56.048 0.453 0.000 1.345 394 H CB 0.069 30.012 29.762 0.303 0.000 1.393 394 H HN 0.228 nan 8.280 nan 0.000 0.520 395 E N 0.096 120.481 120.200 0.309 0.000 2.274 395 E HA -0.016 4.336 4.350 0.002 0.000 0.194 395 E C 2.150 178.789 176.600 0.066 0.000 0.996 395 E CA 0.620 57.124 56.400 0.175 0.000 0.840 395 E CB -0.062 29.745 29.700 0.177 0.000 0.772 395 E HN 0.428 nan 8.360 nan 0.000 0.491 396 A N 0.914 123.783 122.820 0.081 0.000 2.016 396 A HA -0.027 4.294 4.320 0.002 0.000 0.217 396 A C 2.515 180.076 177.584 -0.039 0.000 1.162 396 A CA 0.528 52.585 52.037 0.034 0.000 0.662 396 A CB -0.342 18.731 19.000 0.122 0.000 0.812 396 A HN 0.093 nan 8.150 nan 0.000 0.450 397 V N 0.136 119.996 119.914 -0.091 0.000 2.231 397 V HA -0.241 3.880 4.120 0.002 0.000 0.248 397 V C 2.807 178.777 176.094 -0.208 0.000 1.054 397 V CA 2.260 64.480 62.300 -0.133 0.000 1.015 397 V CB -1.435 30.252 31.823 -0.225 0.000 0.638 397 V HN 0.570 nan 8.190 nan 0.000 0.444 398 G N -0.975 107.665 108.800 -0.267 0.000 2.443 398 G HA2 -0.200 3.761 3.960 0.002 0.000 0.219 398 G HA3 -0.200 3.761 3.960 0.002 0.000 0.219 398 G C 1.143 175.904 174.900 -0.232 0.000 1.131 398 G CA 0.856 45.829 45.100 -0.213 0.000 0.775 398 G HN 0.522 nan 8.290 nan 0.000 0.547 399 D N 0.061 120.329 120.400 -0.221 0.000 2.224 399 D HA -0.032 4.609 4.640 0.002 0.000 0.205 399 D C 2.712 178.749 176.300 -0.440 0.000 0.965 399 D CA 0.187 53.997 54.000 -0.317 0.000 0.852 399 D CB -0.057 40.541 40.800 -0.336 0.000 0.947 399 D HN 0.172 nan 8.370 nan 0.000 0.494 400 V N 0.996 120.727 119.914 -0.304 0.000 2.287 400 V HA -0.243 3.878 4.120 0.002 0.000 0.248 400 V C 2.495 178.420 176.094 -0.281 0.000 1.053 400 V CA 1.279 63.462 62.300 -0.196 0.000 1.027 400 V CB -0.457 31.450 31.823 0.140 0.000 0.646 400 V HN 0.276 nan 8.190 nan 0.000 0.447 401 L N -0.516 120.433 121.223 -0.456 0.000 2.072 401 L HA -0.100 4.241 4.340 0.002 0.000 0.205 401 L C 2.643 179.054 176.870 -0.765 0.000 1.079 401 L CA 1.576 55.969 54.840 -0.745 0.000 0.752 401 L CB -0.919 40.471 42.059 -1.116 0.000 0.906 401 L HN 0.309 nan 8.230 nan 0.000 0.436 402 S N 0.466 115.785 115.700 -0.634 0.000 2.387 402 S HA -0.175 4.296 4.470 0.002 0.000 0.230 402 S C 2.023 176.151 174.600 -0.785 0.000 1.035 402 S CA 1.284 59.078 58.200 -0.677 0.000 1.014 402 S CB -0.319 62.553 63.200 -0.546 0.000 0.836 402 S HN 0.297 nan 8.310 nan 0.000 0.466 403 L N 1.259 122.038 121.223 -0.741 0.000 2.131 403 L HA -0.121 4.220 4.340 0.002 0.000 0.210 403 L C 2.714 179.272 176.870 -0.519 0.000 1.092 403 L CA 1.413 55.759 54.840 -0.823 0.000 0.759 403 L CB -0.483 40.798 42.059 -1.297 0.000 0.903 403 L HN 0.464 nan 8.230 nan 0.000 0.435 404 S N -1.120 114.406 115.700 -0.289 0.000 2.377 404 S HA -0.101 4.370 4.470 0.002 0.000 0.223 404 S C 1.862 176.403 174.600 -0.100 0.000 1.030 404 S CA 0.890 59.101 58.200 0.018 0.000 0.970 404 S CB -0.445 62.848 63.200 0.155 0.000 0.830 404 S HN 0.141 nan 8.310 nan 0.000 0.473 405 V N 3.200 122.909 119.914 -0.343 0.000 2.490 405 V HA -0.103 4.019 4.120 0.002 0.000 0.250 405 V C 2.997 179.111 176.094 0.033 0.000 1.061 405 V CA 1.832 63.973 62.300 -0.266 0.000 1.064 405 V CB -1.088 30.472 31.823 -0.438 0.000 0.670 405 V HN 0.837 nan 8.190 nan 0.000 0.461 406 S N 0.201 115.830 115.700 -0.119 0.000 2.515 406 S HA -0.063 4.408 4.470 0.002 0.000 0.231 406 S C 1.144 175.763 174.600 0.031 0.000 0.987 406 S CA 0.596 58.794 58.200 -0.004 0.000 0.936 406 S CB -0.957 61.986 63.200 -0.429 0.000 0.766 406 S HN 0.729 nan 8.310 nan 0.000 0.528 407 T N -0.099 114.474 114.554 0.031 0.000 2.919 407 T HA 0.339 4.690 4.350 0.002 0.000 0.302 407 T C -1.924 172.776 174.700 -0.001 0.000 1.031 407 T CA -1.478 60.645 62.100 0.038 0.000 1.127 407 T CB 0.803 69.723 68.868 0.087 0.000 0.952 407 T HN -0.056 nan 8.240 nan 0.000 0.540 408 P HA -0.113 nan 4.420 nan 0.000 0.216 408 P C 1.570 178.806 177.300 -0.106 0.000 1.150 408 P CA 1.000 63.946 63.100 -0.257 0.000 0.843 408 P CB 0.084 31.519 31.700 -0.441 0.000 0.787 409 K N -0.775 119.620 120.400 -0.008 0.000 2.015 409 K HA -0.295 4.027 4.320 0.002 0.000 0.216 409 K C 2.184 178.795 176.600 0.018 0.000 1.052 409 K CA 1.926 58.229 56.287 0.025 0.000 0.937 409 K CB -0.668 31.871 32.500 0.064 0.000 0.719 409 K HN 0.117 nan 8.250 nan 0.000 0.446 410 H N 0.092 119.159 119.070 -0.005 0.000 2.321 410 H HA -0.021 4.536 4.556 0.002 0.000 0.300 410 H C 1.916 177.222 175.328 -0.036 0.000 1.087 410 H CA 2.061 58.104 56.048 -0.009 0.000 1.319 410 H CB -0.073 29.729 29.762 0.066 0.000 1.379 410 H HN 0.172 nan 8.280 nan 0.000 0.501 411 L N 0.024 121.241 121.223 -0.010 0.000 2.217 411 L HA -0.087 4.255 4.340 0.002 0.000 0.211 411 L C 2.335 179.134 176.870 -0.118 0.000 1.107 411 L CA 1.076 55.883 54.840 -0.056 0.000 0.783 411 L CB -0.271 41.770 42.059 -0.031 0.000 0.919 411 L HN 0.397 nan 8.230 nan 0.000 0.442 412 E N 0.450 120.578 120.200 -0.120 0.000 2.072 412 E HA -0.216 4.135 4.350 0.002 0.000 0.191 412 E C 2.094 178.622 176.600 -0.121 0.000 0.985 412 E CA 0.998 57.341 56.400 -0.096 0.000 0.801 412 E CB 0.006 29.671 29.700 -0.059 0.000 0.750 412 E HN 0.467 nan 8.360 nan 0.000 0.452 413 K N 0.760 121.047 120.400 -0.188 0.000 2.113 413 K HA -0.152 4.169 4.320 0.002 0.000 0.208 413 K C 2.146 178.601 176.600 -0.243 0.000 1.047 413 K CA 1.429 57.574 56.287 -0.238 0.000 0.928 413 K CB -0.313 31.974 32.500 -0.356 0.000 0.716 413 K HN 0.336 nan 8.250 nan 0.000 0.446 414 I N -3.391 117.021 120.570 -0.264 0.000 3.875 414 I HA 0.303 4.474 4.170 0.002 0.000 0.329 414 I C 0.682 176.768 176.117 -0.051 0.000 1.295 414 I CA 0.156 61.364 61.300 -0.153 0.000 1.129 414 I CB 0.176 38.096 38.000 -0.133 0.000 1.008 414 I HN 0.179 nan 8.210 nan 0.000 0.413 415 G N 2.062 110.822 108.800 -0.066 0.000 2.143 415 G HA2 -0.259 3.702 3.960 0.002 0.000 0.248 415 G HA3 -0.259 3.702 3.960 0.002 0.000 0.248 415 G C 0.547 175.428 174.900 -0.032 0.000 0.991 415 G CA 0.539 45.620 45.100 -0.032 0.000 0.689 415 G HN 0.484 nan 8.290 nan 0.000 0.522 416 L N -1.376 119.815 121.223 -0.054 0.000 2.513 416 L HA 0.435 4.777 4.340 0.002 0.000 0.222 416 L C 0.860 177.686 176.870 -0.073 0.000 1.096 416 L CA 0.161 54.951 54.840 -0.083 0.000 0.857 416 L CB 0.311 42.306 42.059 -0.106 0.000 1.026 416 L HN 0.277 nan 8.230 nan 0.000 0.469 417 L N 0.814 121.999 121.223 -0.065 0.000 2.343 417 L HA 0.418 4.759 4.340 0.002 0.000 0.278 417 L C -0.737 176.126 176.870 -0.011 0.000 0.996 417 L CA -0.178 54.628 54.840 -0.056 0.000 0.831 417 L CB 1.194 43.173 42.059 -0.133 0.000 1.232 417 L HN -0.101 nan 8.230 nan 0.000 0.413 418 K N 3.885 124.301 120.400 0.025 0.000 2.259 418 K HA 0.479 4.801 4.320 0.002 0.000 0.249 418 K C -0.774 175.874 176.600 0.079 0.000 0.942 418 K CA -0.820 55.492 56.287 0.041 0.000 0.816 418 K CB 1.507 34.019 32.500 0.021 0.000 1.155 418 K HN 0.597 nan 8.250 nan 0.000 0.428 419 D N 1.119 121.561 120.400 0.071 0.000 2.708 419 D HA -0.249 4.392 4.640 0.002 0.000 0.236 419 D C -0.957 175.403 176.300 0.100 0.000 1.146 419 D CA 1.079 55.118 54.000 0.064 0.000 0.662 419 D CB -1.177 39.646 40.800 0.038 0.000 1.059 419 D HN 0.423 nan 8.370 nan 0.000 0.428 420 Y N 0.121 120.417 120.300 -0.006 0.000 2.313 420 Y HA 0.392 4.943 4.550 0.002 0.000 0.332 420 Y C -0.104 175.790 175.900 -0.009 0.000 1.071 420 Y CA -0.572 57.525 58.100 -0.005 0.000 1.169 420 Y CB 1.084 39.543 38.460 -0.001 0.000 1.192 420 Y HN -0.129 nan 8.280 nan 0.000 0.487 421 V N 8.013 127.678 119.914 -0.414 0.000 2.334 421 V HA 0.332 4.453 4.120 0.002 0.000 0.281 421 V C 0.131 175.924 176.094 -0.502 0.000 1.016 421 V CA -0.929 61.187 62.300 -0.307 0.000 0.832 421 V CB 1.218 32.916 31.823 -0.209 0.000 0.999 421 V HN 0.707 nan 8.190 nan 0.000 0.439 422 R N 3.546 123.892 120.500 -0.257 0.000 4.556 422 R HA 0.137 4.479 4.340 0.002 0.000 0.197 422 R C 0.138 176.363 176.300 -0.125 0.000 1.791 422 R CA -0.439 55.568 56.100 -0.154 0.000 1.526 422 R CB -0.362 30.017 30.300 0.132 0.000 1.410 422 R HN 0.919 nan 8.270 nan 0.000 0.826 423 D N -0.621 119.663 120.400 -0.192 0.000 2.398 423 D HA -0.015 4.627 4.640 0.002 0.000 0.264 423 D C 0.408 176.615 176.300 -0.156 0.000 1.263 423 D CA -0.449 53.459 54.000 -0.153 0.000 1.037 423 D CB 0.523 41.223 40.800 -0.168 0.000 1.101 423 D HN -0.013 nan 8.370 nan 0.000 0.551 424 D N -0.905 119.397 120.400 -0.163 0.000 2.178 424 D HA -0.121 4.520 4.640 0.002 0.000 0.201 424 D C 1.659 177.787 176.300 -0.286 0.000 0.980 424 D CA 1.085 54.982 54.000 -0.171 0.000 0.842 424 D CB -0.045 40.671 40.800 -0.141 0.000 0.948 424 D HN 0.540 nan 8.370 nan 0.000 0.472 425 E N 0.361 120.295 120.200 -0.443 0.000 2.046 425 E HA -0.033 4.319 4.350 0.002 0.000 0.190 425 E C 2.144 178.555 176.600 -0.316 0.000 0.982 425 E CA 0.789 56.743 56.400 -0.743 0.000 0.800 425 E CB -0.037 29.015 29.700 -1.079 0.000 0.756 425 E HN 0.164 nan 8.360 nan 0.000 0.449 426 A N 1.780 124.464 122.820 -0.227 0.000 1.940 426 A HA -0.239 4.082 4.320 0.002 0.000 0.219 426 A C 2.106 179.691 177.584 0.002 0.000 1.176 426 A CA 1.520 53.492 52.037 -0.107 0.000 0.631 426 A CB -0.505 18.326 19.000 -0.281 0.000 0.814 426 A HN 0.073 nan 8.150 nan 0.000 0.446 427 R N -0.369 120.104 120.500 -0.045 0.000 2.066 427 R HA -0.105 4.236 4.340 0.002 0.000 0.232 427 R C 1.882 178.179 176.300 -0.005 0.000 1.131 427 R CA 1.627 57.728 56.100 0.002 0.000 0.955 427 R CB -0.320 29.962 30.300 -0.030 0.000 0.851 427 R HN 0.450 nan 8.270 nan 0.000 0.432 428 I N 2.008 122.526 120.570 -0.087 0.000 2.208 428 I HA -0.284 3.888 4.170 0.002 0.000 0.245 428 I C 1.799 177.901 176.117 -0.025 0.000 1.097 428 I CA 1.350 62.564 61.300 -0.143 0.000 1.363 428 I CB -1.529 36.193 38.000 -0.464 0.000 1.051 428 I HN 0.226 nan 8.210 nan 0.000 0.413 429 N N 0.815 119.543 118.700 0.047 0.000 2.094 429 N HA -0.252 4.489 4.740 0.002 0.000 0.191 429 N C 1.855 177.488 175.510 0.205 0.000 1.023 429 N CA 1.362 54.489 53.050 0.130 0.000 0.857 429 N CB -0.383 38.194 38.487 0.150 0.000 1.013 429 N HN 0.439 nan 8.380 nan 0.000 0.426 430 Q N 0.606 120.512 119.800 0.178 0.000 2.083 430 Q HA 0.117 4.458 4.340 0.002 0.000 0.198 430 Q C 2.036 178.162 176.000 0.209 0.000 0.969 430 Q CA 0.964 56.879 55.803 0.187 0.000 0.838 430 Q CB -0.354 28.484 28.738 0.165 0.000 0.900 430 Q HN 0.357 nan 8.270 nan 0.000 0.436 431 L N -0.467 120.876 121.223 0.199 0.000 2.083 431 L HA -0.127 4.214 4.340 0.002 0.000 0.209 431 L C 2.153 179.260 176.870 0.394 0.000 1.083 431 L CA 1.272 56.282 54.840 0.282 0.000 0.752 431 L CB -0.419 41.770 42.059 0.215 0.000 0.899 431 L HN 0.289 nan 8.230 nan 0.000 0.433 432 F N -0.061 119.991 119.950 0.171 0.000 2.113 432 F HA -0.250 4.278 4.527 0.002 0.000 0.297 432 F C 2.276 178.182 175.800 0.177 0.000 1.103 432 F CA 1.275 59.369 58.000 0.157 0.000 1.248 432 F CB -0.044 39.002 39.000 0.077 0.000 0.999 432 F HN -0.065 nan 8.300 nan 0.000 0.475 433 L N 0.254 121.662 121.223 0.308 0.000 2.013 433 L HA -0.243 4.099 4.340 0.002 0.000 0.212 433 L C 2.223 179.180 176.870 0.144 0.000 1.073 433 L CA 2.593 57.561 54.840 0.214 0.000 0.753 433 L CB -1.359 40.833 42.059 0.221 0.000 0.890 433 L HN 0.184 nan 8.230 nan 0.000 0.432 434 T N -0.105 114.571 114.554 0.204 0.000 2.746 434 T HA -0.150 4.202 4.350 0.002 0.000 0.267 434 T C 1.907 176.725 174.700 0.197 0.000 1.039 434 T CA 1.368 63.601 62.100 0.222 0.000 1.142 434 T CB -0.613 68.461 68.868 0.343 0.000 0.866 434 T HN 0.550 nan 8.240 nan 0.000 0.444 435 A N 1.215 124.118 122.820 0.138 0.000 1.972 435 A HA 0.023 4.345 4.320 0.002 0.000 0.219 435 A C 2.248 179.653 177.584 -0.299 0.000 1.169 435 A CA 1.105 52.967 52.037 -0.291 0.000 0.635 435 A CB -0.851 17.864 19.000 -0.475 0.000 0.810 435 A HN 0.496 nan 8.150 nan 0.000 0.446 436 L N -0.718 120.352 121.223 -0.256 0.000 2.265 436 L HA -0.152 4.190 4.340 0.002 0.000 0.215 436 L C 2.227 179.017 176.870 -0.133 0.000 1.117 436 L CA 1.381 56.091 54.840 -0.215 0.000 0.782 436 L CB -0.320 41.722 42.059 -0.030 0.000 0.914 436 L HN 0.441 nan 8.230 nan 0.000 0.441 437 D N -0.153 120.227 120.400 -0.033 0.000 2.355 437 D HA -0.104 4.538 4.640 0.002 0.000 0.233 437 D C 2.061 178.439 176.300 0.129 0.000 0.997 437 D CA 1.055 55.080 54.000 0.042 0.000 0.920 437 D CB 0.295 41.122 40.800 0.046 0.000 1.063 437 D HN -0.087 nan 8.370 nan 0.000 0.465 438 K N 0.291 120.762 120.400 0.119 0.000 2.167 438 K HA 0.055 4.376 4.320 0.002 0.000 0.203 438 K C 2.014 178.730 176.600 0.195 0.000 1.052 438 K CA 0.344 56.800 56.287 0.282 0.000 0.956 438 K CB 0.322 32.980 32.500 0.264 0.000 0.735 438 K HN 0.296 nan 8.250 nan 0.000 0.451 439 I N 0.492 120.983 120.570 -0.132 0.000 2.429 439 I HA -0.108 4.063 4.170 0.002 0.000 0.247 439 I C 2.348 178.445 176.117 -0.033 0.000 1.099 439 I CA 0.580 61.782 61.300 -0.163 0.000 1.422 439 I CB -1.031 36.745 38.000 -0.373 0.000 1.112 439 I HN -0.229 nan 8.210 nan 0.000 0.430 440 V N 1.224 121.059 119.914 -0.131 0.000 2.380 440 V HA -0.318 3.803 4.120 0.002 0.000 0.251 440 V C 2.428 178.433 176.094 -0.148 0.000 1.063 440 V CA 1.959 64.105 62.300 -0.257 0.000 1.055 440 V CB -0.832 30.458 31.823 -0.888 0.000 0.657 440 V HN 0.291 nan 8.190 nan 0.000 0.455 441 F N -0.006 119.835 119.950 -0.181 0.000 2.293 441 F HA -0.104 4.424 4.527 0.002 0.000 0.300 441 F C 1.931 177.666 175.800 -0.109 0.000 1.086 441 F CA 1.218 59.134 58.000 -0.140 0.000 1.375 441 F CB -0.182 38.660 39.000 -0.262 0.000 1.045 441 F HN 0.059 nan 8.300 nan 0.000 0.516 442 L N 0.886 122.094 121.223 -0.025 0.000 1.989 442 L HA -0.183 4.158 4.340 0.002 0.000 0.211 442 L C -0.241 176.526 176.870 -0.172 0.000 1.071 442 L CA 1.496 56.302 54.840 -0.057 0.000 0.749 442 L CB -2.441 39.704 42.059 0.143 0.000 0.890 442 L HN 0.087 nan 8.230 nan 0.000 0.431 443 P HA -0.225 nan 4.420 nan 0.000 0.217 443 P C 1.680 178.798 177.300 -0.304 0.000 1.150 443 P CA 1.408 64.388 63.100 -0.199 0.000 0.832 443 P CB -0.165 31.461 31.700 -0.124 0.000 0.787 444 F N 1.737 121.444 119.950 -0.404 0.000 2.065 444 F HA -0.209 4.320 4.527 0.002 0.000 0.298 444 F C 2.287 177.742 175.800 -0.574 0.000 1.112 444 F CA 2.160 59.900 58.000 -0.433 0.000 1.212 444 F CB -1.006 37.756 39.000 -0.397 0.000 0.975 444 F HN -0.071 nan 8.300 nan 0.000 0.476 445 A N -0.021 122.309 122.820 -0.817 0.000 1.930 445 A HA -0.155 4.166 4.320 0.002 0.000 0.217 445 A C 2.174 179.470 177.584 -0.481 0.000 1.175 445 A CA 1.280 52.895 52.037 -0.703 0.000 0.627 445 A CB -1.482 17.099 19.000 -0.699 0.000 0.815 445 A HN 0.501 nan 8.150 nan 0.000 0.443 446 F N 2.139 121.681 119.950 -0.679 0.000 2.126 446 F HA -0.176 4.352 4.527 0.002 0.000 0.299 446 F C 2.820 178.121 175.800 -0.832 0.000 1.096 446 F CA 1.953 59.513 58.000 -0.735 0.000 1.255 446 F CB -1.070 37.375 39.000 -0.926 0.000 0.997 446 F HN 0.424 nan 8.300 nan 0.000 0.479 447 T N -2.565 111.568 114.554 -0.701 0.000 2.915 447 T HA -0.174 4.177 4.350 0.002 0.000 0.269 447 T C 2.029 176.338 174.700 -0.651 0.000 1.071 447 T CA 1.049 62.697 62.100 -0.754 0.000 1.132 447 T CB -0.337 68.117 68.868 -0.690 0.000 0.878 447 T HN 0.051 nan 8.240 nan 0.000 0.479 448 M N 1.989 121.140 119.600 -0.749 0.000 2.108 448 M HA -0.041 4.440 4.480 0.002 0.000 0.261 448 M C 1.578 177.642 176.300 -0.394 0.000 1.066 448 M CA 1.522 56.448 55.300 -0.623 0.000 1.107 448 M CB -1.160 30.872 32.600 -0.948 0.000 1.356 448 M HN 0.263 nan 8.290 nan 0.000 0.406 449 D N -0.365 119.732 120.400 -0.505 0.000 2.240 449 D HA -0.014 4.628 4.640 0.002 0.000 0.206 449 D C 2.009 177.596 176.300 -1.188 0.000 0.963 449 D CA 0.714 54.251 54.000 -0.772 0.000 0.863 449 D CB -0.037 40.247 40.800 -0.859 0.000 0.973 449 D HN 0.301 nan 8.370 nan 0.000 0.501 450 K N -0.194 119.628 120.400 -0.962 0.000 2.097 450 K HA -0.178 4.143 4.320 0.002 0.000 0.206 450 K C 1.970 178.371 176.600 -0.332 0.000 1.049 450 K CA 0.795 56.694 56.287 -0.647 0.000 0.933 450 K CB -0.165 31.942 32.500 -0.655 0.000 0.717 450 K HN 0.165 nan 8.250 nan 0.000 0.442 451 Y N 1.911 121.944 120.300 -0.445 0.000 2.089 451 Y HA -0.198 4.354 4.550 0.002 0.000 0.282 451 Y C 2.066 177.775 175.900 -0.319 0.000 1.139 451 Y CA 1.523 59.441 58.100 -0.304 0.000 1.123 451 Y CB -0.098 38.226 38.460 -0.227 0.000 0.980 451 Y HN -0.110 nan 8.280 nan 0.000 0.493 452 R N -1.241 118.988 120.500 -0.452 0.000 2.092 452 R HA -0.198 4.143 4.340 0.002 0.000 0.231 452 R C 2.081 177.882 176.300 -0.831 0.000 1.119 452 R CA 1.419 57.059 56.100 -0.767 0.000 0.970 452 R CB -0.618 29.362 30.300 -0.533 0.000 0.864 452 R HN 0.406 nan 8.270 nan 0.000 0.440 453 W N 0.954 121.985 121.300 -0.448 0.000 2.338 453 W HA -0.144 4.517 4.660 0.002 0.000 0.304 453 W C 2.586 178.962 176.519 -0.238 0.000 1.212 453 W CA 1.422 58.627 57.345 -0.234 0.000 1.264 453 W CB -1.262 28.170 29.460 -0.047 0.000 1.142 453 W HN 0.182 nan 8.180 nan 0.000 0.512 454 S N -0.274 115.391 115.700 -0.059 0.000 2.428 454 S HA -0.081 4.390 4.470 0.002 0.000 0.230 454 S C 1.912 176.396 174.600 -0.193 0.000 1.014 454 S CA 0.936 59.087 58.200 -0.082 0.000 0.957 454 S CB -0.802 62.350 63.200 -0.079 0.000 0.784 454 S HN 0.227 nan 8.310 nan 0.000 0.499 455 L N -0.357 120.590 121.223 -0.460 0.000 2.044 455 L HA 0.070 4.412 4.340 0.002 0.000 0.205 455 L C 2.557 179.346 176.870 -0.135 0.000 1.075 455 L CA 1.398 55.944 54.840 -0.490 0.000 0.747 455 L CB -0.816 40.658 42.059 -0.975 0.000 0.903 455 L HN 0.285 nan 8.230 nan 0.000 0.435 456 F N 0.570 120.382 119.950 -0.229 0.000 2.095 456 F HA -0.223 4.306 4.527 0.002 0.000 0.298 456 F C 2.705 178.435 175.800 -0.116 0.000 1.104 456 F CA 0.759 58.638 58.000 -0.202 0.000 1.232 456 F CB -0.196 38.662 39.000 -0.236 0.000 0.987 456 F HN 0.011 nan 8.300 nan 0.000 0.475 457 R N 0.174 120.750 120.500 0.128 0.000 2.280 457 R HA 0.001 4.342 4.340 0.002 0.000 0.207 457 R C 1.432 177.770 176.300 0.064 0.000 1.043 457 R CA 0.660 56.801 56.100 0.070 0.000 1.006 457 R CB -0.439 29.895 30.300 0.057 0.000 0.885 457 R HN 0.442 nan 8.270 nan 0.000 0.467 458 G N 1.084 109.932 108.800 0.079 0.000 2.137 458 G HA2 -0.290 3.671 3.960 0.002 0.000 0.237 458 G HA3 -0.290 3.671 3.960 0.002 0.000 0.237 458 G C 0.363 175.324 174.900 0.102 0.000 1.002 458 G CA 0.348 45.511 45.100 0.105 0.000 0.702 458 G HN 0.457 nan 8.290 nan 0.000 0.515 459 E N -1.055 119.194 120.200 0.081 0.000 2.478 459 E HA 0.278 4.630 4.350 0.002 0.000 0.194 459 E C 0.551 177.216 176.600 0.109 0.000 1.045 459 E CA 0.517 56.964 56.400 0.078 0.000 0.868 459 E CB 0.722 30.455 29.700 0.056 0.000 0.885 459 E HN 0.384 nan 8.360 nan 0.000 0.505 460 V N 2.136 122.146 119.914 0.160 0.000 2.531 460 V HA 0.140 4.262 4.120 0.002 0.000 0.301 460 V C -0.432 175.897 176.094 0.393 0.000 1.034 460 V CA -1.090 61.359 62.300 0.248 0.000 0.865 460 V CB 1.912 33.869 31.823 0.223 0.000 0.995 460 V HN -0.011 nan 8.190 nan 0.000 0.424 461 D N 2.976 123.541 120.400 0.275 0.000 2.382 461 D HA 0.155 4.797 4.640 0.002 0.000 0.245 461 D C 1.032 177.375 176.300 0.073 0.000 1.120 461 D CA -0.085 54.020 54.000 0.175 0.000 0.890 461 D CB 1.449 42.302 40.800 0.089 0.000 1.201 461 D HN 0.438 nan 8.370 nan 0.000 0.433 462 K N 1.248 121.471 120.400 -0.294 0.000 2.218 462 K HA -0.174 4.147 4.320 0.002 0.000 0.205 462 K C 1.633 177.950 176.600 -0.471 0.000 1.046 462 K CA 1.090 56.779 56.287 -0.996 0.000 0.933 462 K CB 0.040 32.028 32.500 -0.854 0.000 0.728 462 K HN 0.421 nan 8.250 nan 0.000 0.454 463 A N 0.966 123.683 122.820 -0.172 0.000 2.121 463 A HA -0.120 4.202 4.320 0.002 0.000 0.218 463 A C 0.970 178.603 177.584 0.082 0.000 1.154 463 A CA 1.301 53.314 52.037 -0.041 0.000 0.679 463 A CB -0.272 18.722 19.000 -0.010 0.000 0.795 463 A HN 0.403 nan 8.150 nan 0.000 0.458 464 N N -2.265 116.537 118.700 0.171 0.000 2.200 464 N HA 0.078 4.819 4.740 0.002 0.000 0.224 464 N C 0.489 176.286 175.510 0.478 0.000 1.179 464 N CA -0.378 52.842 53.050 0.285 0.000 0.877 464 N CB 0.207 38.843 38.487 0.247 0.000 1.072 464 N HN 0.493 nan 8.380 nan 0.000 0.519 465 W N 1.421 122.872 121.300 0.252 0.000 2.363 465 W HA 0.017 4.678 4.660 0.002 0.000 0.296 465 W C 2.087 178.881 176.519 0.459 0.000 1.212 465 W CA 0.625 58.201 57.345 0.384 0.000 1.260 465 W CB -0.783 28.941 29.460 0.440 0.000 1.131 465 W HN 0.209 nan 8.180 nan 0.000 0.530 466 N N -0.853 118.221 118.700 0.623 0.000 2.135 466 N HA -0.126 4.616 4.740 0.002 0.000 0.186 466 N C 1.640 177.373 175.510 0.372 0.000 1.027 466 N CA 1.880 55.188 53.050 0.430 0.000 0.849 466 N CB -0.711 38.036 38.487 0.435 0.000 1.002 466 N HN -0.087 nan 8.380 nan 0.000 0.425 467 c N -0.009 118.813 118.600 0.371 0.000 2.446 467 c HA 0.212 4.783 4.570 0.002 0.000 0.279 467 c C 2.686 176.944 174.090 0.280 0.000 1.366 467 c CA 0.420 56.950 56.329 0.335 0.000 1.763 467 c CB -1.439 41.232 42.510 0.267 0.000 1.929 467 c HN 0.538 nan 8.230 nan 0.000 0.509 468 A N 0.011 123.017 122.820 0.310 0.000 1.978 468 A HA -0.204 4.117 4.320 0.002 0.000 0.220 468 A C 1.858 179.561 177.584 0.198 0.000 1.170 468 A CA 1.604 53.813 52.037 0.286 0.000 0.636 468 A CB -0.718 18.493 19.000 0.352 0.000 0.810 468 A HN 0.556 nan 8.150 nan 0.000 0.448 469 F N -0.969 118.886 119.950 -0.159 0.000 2.060 469 F HA -0.117 4.412 4.527 0.002 0.000 0.295 469 F C 1.987 177.482 175.800 -0.507 0.000 1.120 469 F CA 1.627 59.144 58.000 -0.806 0.000 1.205 469 F CB -0.595 37.552 39.000 -1.422 0.000 0.986 469 F HN 0.378 nan 8.300 nan 0.000 0.470 470 W N 0.923 122.186 121.300 -0.062 0.000 2.425 470 W HA -0.080 4.581 4.660 0.002 0.000 0.277 470 W C 2.343 178.809 176.519 -0.088 0.000 1.231 470 W CA 0.791 58.072 57.345 -0.107 0.000 1.248 470 W CB -0.296 29.189 29.460 0.042 0.000 1.117 470 W HN -0.064 nan 8.180 nan 0.000 0.568 471 K N 0.291 120.781 120.400 0.149 0.000 2.057 471 K HA -0.127 4.194 4.320 0.002 0.000 0.206 471 K C 1.842 178.492 176.600 0.083 0.000 1.050 471 K CA 1.177 57.542 56.287 0.130 0.000 0.935 471 K CB -0.545 32.033 32.500 0.131 0.000 0.715 471 K HN 0.202 nan 8.250 nan 0.000 0.439 472 L N 0.669 121.884 121.223 -0.013 0.000 2.046 472 L HA -0.171 4.170 4.340 0.002 0.000 0.208 472 L C 2.425 179.285 176.870 -0.017 0.000 1.077 472 L CA 0.956 55.794 54.840 -0.004 0.000 0.747 472 L CB -0.310 41.631 42.059 -0.197 0.000 0.896 472 L HN 0.099 nan 8.230 nan 0.000 0.432 473 R N -0.047 120.332 120.500 -0.202 0.000 2.096 473 R HA -0.163 4.178 4.340 0.002 0.000 0.235 473 R C 1.845 178.195 176.300 0.083 0.000 1.127 473 R CA 1.422 57.460 56.100 -0.103 0.000 0.968 473 R CB -0.930 29.314 30.300 -0.093 0.000 0.861 473 R HN 0.419 nan 8.270 nan 0.000 0.440 474 D N 0.889 121.363 120.400 0.122 0.000 2.077 474 D HA -0.193 4.449 4.640 0.002 0.000 0.196 474 D C 1.753 178.244 176.300 0.318 0.000 0.986 474 D CA 1.501 55.590 54.000 0.148 0.000 0.829 474 D CB -0.087 40.820 40.800 0.179 0.000 0.983 474 D HN 0.355 nan 8.370 nan 0.000 0.453 475 E N -1.647 118.719 120.200 0.276 0.000 2.085 475 E HA -0.225 4.127 4.350 0.002 0.000 0.194 475 E C 2.054 178.782 176.600 0.213 0.000 0.994 475 E CA 1.101 57.630 56.400 0.215 0.000 0.801 475 E CB -0.194 29.507 29.700 0.002 0.000 0.743 475 E HN 0.435 nan 8.360 nan 0.000 0.453 476 Y N -0.529 119.907 120.300 0.226 0.000 2.343 476 Y HA 0.116 4.667 4.550 0.002 0.000 0.294 476 Y C 2.514 178.579 175.900 0.276 0.000 1.122 476 Y CA 1.014 59.245 58.100 0.219 0.000 1.173 476 Y CB 0.405 38.833 38.460 -0.053 0.000 1.077 476 Y HN -0.004 nan 8.280 nan 0.000 0.542 477 S N -1.668 114.201 115.700 0.283 0.000 2.502 477 S HA 0.216 4.687 4.470 0.002 0.000 0.215 477 S C 1.360 175.946 174.600 -0.024 0.000 1.009 477 S CA 0.573 58.916 58.200 0.239 0.000 0.908 477 S CB 0.333 63.680 63.200 0.245 0.000 0.801 477 S HN 0.606 nan 8.310 nan 0.000 0.505 478 G N 2.213 110.683 108.800 -0.550 0.000 2.225 478 G HA2 -0.234 3.727 3.960 0.002 0.000 0.264 478 G HA3 -0.234 3.727 3.960 0.002 0.000 0.264 478 G C -0.157 174.424 174.900 -0.531 0.000 1.060 478 G CA 0.588 44.694 45.100 -1.657 0.000 0.833 478 G HN 0.590 nan 8.290 nan 0.000 0.498 479 I N -3.268 117.191 120.570 -0.184 0.000 3.108 479 I HA 1.052 5.224 4.170 0.002 0.000 0.312 479 I C -0.407 175.680 176.117 -0.051 0.000 1.095 479 I CA -1.846 59.419 61.300 -0.058 0.000 1.000 479 I CB 2.141 40.204 38.000 0.105 0.000 1.229 479 I HN 0.461 nan 8.210 nan 0.000 0.454 480 E N 1.381 121.504 120.200 -0.128 0.000 2.430 480 E HA 0.632 4.983 4.350 0.002 0.000 0.279 480 E C -3.152 173.140 176.600 -0.513 0.000 1.003 480 E CA -2.142 54.106 56.400 -0.252 0.000 0.801 480 E CB 1.620 31.181 29.700 -0.232 0.000 1.313 480 E HN 0.326 nan 8.360 nan 0.000 0.459 481 P HA 0.064 nan 4.420 nan 0.000 0.270 481 P C -1.912 174.754 177.300 -1.057 0.000 1.223 481 P CA -1.025 61.280 63.100 -1.325 0.000 0.785 481 P CB 0.213 31.006 31.700 -1.510 0.000 0.923 482 P HA -0.047 nan 4.420 nan 0.000 0.225 482 P C 0.099 176.950 177.300 -0.749 0.000 1.156 482 P CA 1.115 63.565 63.100 -1.083 0.000 0.787 482 P CB 0.219 30.962 31.700 -1.594 0.000 0.802 483 V N -4.642 114.834 119.914 -0.731 0.000 3.130 483 V HA 0.476 4.597 4.120 0.002 0.000 0.310 483 V C -0.141 175.724 176.094 -0.382 0.000 1.158 483 V CA -1.439 60.602 62.300 -0.432 0.000 1.029 483 V CB 1.874 33.518 31.823 -0.298 0.000 1.057 483 V HN -0.345 nan 8.190 nan 0.000 0.436 484 V N 3.579 123.353 119.914 -0.234 0.000 2.529 484 V HA 0.372 4.494 4.120 0.002 0.000 0.292 484 V C 0.504 176.525 176.094 -0.122 0.000 1.028 484 V CA 0.070 62.267 62.300 -0.172 0.000 1.074 484 V CB -0.025 31.738 31.823 -0.100 0.000 0.958 484 V HN 0.908 nan 8.190 nan 0.000 0.481 485 R N 3.240 123.674 120.500 -0.109 0.000 2.902 485 R HA 0.832 5.173 4.340 0.002 0.000 0.258 485 R C -0.075 176.267 176.300 0.070 0.000 1.071 485 R CA -0.499 55.604 56.100 0.006 0.000 1.024 485 R CB 1.991 32.308 30.300 0.029 0.000 1.184 485 R HN 0.862 nan 8.270 nan 0.000 0.492 486 S N -1.146 114.637 115.700 0.139 0.000 2.790 486 S HA 0.287 4.759 4.470 0.002 0.000 0.292 486 S C 0.121 174.840 174.600 0.199 0.000 1.197 486 S CA -0.794 57.494 58.200 0.147 0.000 0.851 486 S CB 1.367 64.626 63.200 0.099 0.000 1.217 486 S HN 0.414 nan 8.310 nan 0.000 0.526 487 E N 0.605 120.912 120.200 0.179 0.000 2.516 487 E HA 0.055 4.406 4.350 0.002 0.000 0.199 487 E C 0.958 177.659 176.600 0.170 0.000 1.069 487 E CA 0.381 56.900 56.400 0.199 0.000 0.876 487 E CB -0.251 29.545 29.700 0.161 0.000 0.843 487 E HN 0.541 nan 8.360 nan 0.000 0.530 488 K N 0.575 121.061 120.400 0.143 0.000 2.366 488 K HA -0.004 4.317 4.320 0.002 0.000 0.198 488 K C 0.530 177.225 176.600 0.160 0.000 1.044 488 K CA 0.499 56.860 56.287 0.123 0.000 0.973 488 K CB 0.335 32.889 32.500 0.090 0.000 0.767 488 K HN 0.085 nan 8.250 nan 0.000 0.475 489 D N -0.473 120.054 120.400 0.211 0.000 2.385 489 D HA 0.198 4.839 4.640 0.002 0.000 0.254 489 D C -1.029 175.484 176.300 0.354 0.000 1.053 489 D CA -0.335 53.812 54.000 0.245 0.000 0.992 489 D CB 1.284 42.236 40.800 0.252 0.000 1.145 489 D HN -0.173 nan 8.370 nan 0.000 0.523 490 F N 1.182 121.201 119.950 0.115 0.000 3.034 490 F HA 0.177 4.706 4.527 0.002 0.000 0.371 490 F C 0.028 175.806 175.800 -0.036 0.000 1.233 490 F CA -0.657 57.378 58.000 0.058 0.000 1.134 490 F CB 0.978 40.008 39.000 0.050 0.000 1.495 490 F HN 0.062 nan 8.300 nan 0.000 0.563 491 D N 2.979 123.100 120.400 -0.465 0.000 2.327 491 D HA 0.103 4.744 4.640 0.002 0.000 0.205 491 D C 2.070 177.865 176.300 -0.842 0.000 0.989 491 D CA 0.860 54.679 54.000 -0.301 0.000 0.873 491 D CB 0.495 41.501 40.800 0.343 0.000 0.955 491 D HN 0.564 nan 8.370 nan 0.000 0.515 492 A N 2.105 123.960 122.820 -1.609 0.000 1.908 492 A HA -0.120 4.201 4.320 0.002 0.000 0.218 492 A C -0.437 176.601 177.584 -0.909 0.000 1.181 492 A CA 1.193 52.182 52.037 -1.747 0.000 0.627 492 A CB -1.418 16.537 19.000 -1.741 0.000 0.818 492 A HN 0.149 nan 8.150 nan 0.000 0.445 493 P HA 0.060 nan 4.420 nan 0.000 0.239 493 P C 1.068 178.275 177.300 -0.155 0.000 1.184 493 P CA 1.053 63.949 63.100 -0.340 0.000 0.760 493 P CB -0.061 31.536 31.700 -0.172 0.000 0.884 494 A N -0.921 121.751 122.820 -0.246 0.000 2.216 494 A HA -0.083 4.238 4.320 0.002 0.000 0.214 494 A C 1.299 179.129 177.584 0.410 0.000 1.160 494 A CA 0.823 52.786 52.037 -0.123 0.000 0.725 494 A CB -0.775 17.783 19.000 -0.737 0.000 0.784 494 A HN 0.043 nan 8.150 nan 0.000 0.472 495 K N -0.864 119.579 120.400 0.073 0.000 2.227 495 K HA 0.329 4.650 4.320 0.002 0.000 0.280 495 K C 0.438 176.862 176.600 -0.294 0.000 1.041 495 K CA -0.765 55.405 56.287 -0.196 0.000 0.905 495 K CB 0.239 32.572 32.500 -0.277 0.000 1.068 495 K HN 0.224 nan 8.250 nan 0.000 0.470 496 Y N 4.191 124.105 120.300 -0.644 0.000 2.069 496 Y HA -0.332 4.220 4.550 0.002 0.000 0.278 496 Y C 1.084 176.579 175.900 -0.675 0.000 1.175 496 Y CA 2.431 59.813 58.100 -1.196 0.000 1.134 496 Y CB -0.300 37.453 38.460 -1.178 0.000 0.965 496 Y HN 0.933 nan 8.280 nan 0.000 0.498 497 H N -0.469 118.255 119.070 -0.576 0.000 2.456 497 H HA -0.094 4.463 4.556 0.002 0.000 0.296 497 H C 2.295 177.450 175.328 -0.287 0.000 1.079 497 H CA 1.809 57.617 56.048 -0.399 0.000 1.322 497 H CB -0.322 29.470 29.762 0.050 0.000 1.388 497 H HN 0.409 nan 8.280 nan 0.000 0.538 498 I N -0.575 119.911 120.570 -0.141 0.000 2.233 498 I HA -0.207 3.964 4.170 0.002 0.000 0.243 498 I C 2.031 178.113 176.117 -0.059 0.000 1.093 498 I CA 1.028 62.309 61.300 -0.032 0.000 1.380 498 I CB -0.245 37.681 38.000 -0.123 0.000 1.067 498 I HN 0.143 nan 8.210 nan 0.000 0.413 499 S N 0.800 116.362 115.700 -0.229 0.000 2.419 499 S HA -0.069 4.402 4.470 0.002 0.000 0.233 499 S C 1.878 176.291 174.600 -0.312 0.000 1.016 499 S CA 1.302 59.388 58.200 -0.190 0.000 0.974 499 S CB -0.151 62.968 63.200 -0.135 0.000 0.786 499 S HN 0.534 nan 8.310 nan 0.000 0.492 500 A N 0.565 123.058 122.820 -0.546 0.000 2.308 500 A HA 0.297 4.618 4.320 0.002 0.000 0.217 500 A C 0.561 177.986 177.584 -0.265 0.000 1.216 500 A CA 0.340 52.059 52.037 -0.530 0.000 0.864 500 A CB -0.170 18.184 19.000 -1.077 0.000 0.902 500 A HN 0.348 nan 8.150 nan 0.000 0.499 501 D N -0.909 119.394 120.400 -0.162 0.000 2.705 501 D HA -0.133 4.509 4.640 0.002 0.000 0.240 501 D C -0.821 175.590 176.300 0.184 0.000 1.137 501 D CA 0.847 54.910 54.000 0.104 0.000 0.677 501 D CB -1.674 39.187 40.800 0.103 0.000 1.049 501 D HN 0.200 nan 8.370 nan 0.000 0.427 502 V N 1.706 121.678 119.914 0.097 0.000 2.384 502 V HA 0.283 4.405 4.120 0.002 0.000 0.287 502 V C 0.711 176.793 176.094 -0.020 0.000 1.020 502 V CA -0.958 61.374 62.300 0.054 0.000 0.850 502 V CB 1.686 33.559 31.823 0.082 0.000 0.987 502 V HN 0.285 nan 8.190 nan 0.000 0.436 503 E N 2.825 122.773 120.200 -0.420 0.000 2.442 503 E HA -0.088 4.264 4.350 0.002 0.000 0.262 503 E C -0.633 175.776 176.600 -0.318 0.000 1.004 503 E CA 0.403 56.227 56.400 -0.959 0.000 0.928 503 E CB 0.689 29.529 29.700 -1.433 0.000 0.937 503 E HN 0.699 nan 8.360 nan 0.000 0.446 504 Y N 3.741 123.840 120.300 -0.335 0.000 2.444 504 Y HA 0.041 4.592 4.550 0.002 0.000 0.252 504 Y C 1.792 177.661 175.900 -0.051 0.000 1.091 504 Y CA -0.002 58.048 58.100 -0.083 0.000 1.276 504 Y CB 0.365 38.714 38.460 -0.185 0.000 1.170 504 Y HN 0.588 nan 8.280 nan 0.000 0.517 505 L N 1.464 122.673 121.223 -0.024 0.000 2.187 505 L HA -0.215 4.126 4.340 0.002 0.000 0.213 505 L C 2.590 179.457 176.870 -0.004 0.000 1.100 505 L CA 1.797 56.644 54.840 0.012 0.000 0.765 505 L CB -0.498 41.671 42.059 0.183 0.000 0.904 505 L HN 0.259 nan 8.230 nan 0.000 0.437 506 R N -1.866 118.604 120.500 -0.051 0.000 2.117 506 R HA -0.257 4.084 4.340 0.002 0.000 0.243 506 R C 1.959 178.142 176.300 -0.195 0.000 1.143 506 R CA 2.247 58.287 56.100 -0.099 0.000 0.968 506 R CB -1.260 28.846 30.300 -0.323 0.000 0.863 506 R HN 0.348 nan 8.270 nan 0.000 0.444 507 Y N 0.775 121.006 120.300 -0.115 0.000 2.337 507 Y HA -0.041 4.511 4.550 0.002 0.000 0.293 507 Y C 2.246 178.211 175.900 0.109 0.000 1.123 507 Y CA 0.620 58.715 58.100 -0.009 0.000 1.201 507 Y CB -0.348 38.001 38.460 -0.185 0.000 1.011 507 Y HN 0.041 nan 8.280 nan 0.000 0.545 508 L N -0.457 120.813 121.223 0.078 0.000 2.017 508 L HA -0.140 4.201 4.340 0.002 0.000 0.208 508 L C 2.142 179.027 176.870 0.024 0.000 1.073 508 L CA 1.482 56.304 54.840 -0.030 0.000 0.745 508 L CB -0.960 40.937 42.059 -0.271 0.000 0.894 508 L HN 0.040 nan 8.230 nan 0.000 0.432 509 V N -0.779 119.126 119.914 -0.015 0.000 2.287 509 V HA -0.319 3.803 4.120 0.002 0.000 0.248 509 V C 2.800 178.925 176.094 0.051 0.000 1.053 509 V CA 1.949 64.242 62.300 -0.012 0.000 1.027 509 V CB -1.000 30.856 31.823 0.055 0.000 0.646 509 V HN 0.681 nan 8.190 nan 0.000 0.447 510 S N -0.493 115.293 115.700 0.143 0.000 2.359 510 S HA -0.241 4.230 4.470 0.002 0.000 0.223 510 S C 1.878 176.610 174.600 0.220 0.000 1.039 510 S CA 2.037 60.340 58.200 0.172 0.000 1.042 510 S CB -0.532 62.850 63.200 0.303 0.000 0.915 510 S HN 0.562 nan 8.310 nan 0.000 0.439 511 F N 0.730 120.727 119.950 0.079 0.000 2.333 511 F HA 0.021 4.550 4.527 0.002 0.000 0.300 511 F C 1.976 177.880 175.800 0.174 0.000 1.083 511 F CA 0.675 58.756 58.000 0.134 0.000 1.395 511 F CB -0.137 39.001 39.000 0.230 0.000 1.056 511 F HN 0.263 nan 8.300 nan 0.000 0.529 512 I N 0.222 120.928 120.570 0.226 0.000 2.296 512 I HA -0.216 3.956 4.170 0.002 0.000 0.242 512 I C 2.321 178.430 176.117 -0.014 0.000 1.087 512 I CA 1.003 62.361 61.300 0.098 0.000 1.393 512 I CB -0.372 37.622 38.000 -0.011 0.000 1.093 512 I HN 0.065 nan 8.210 nan 0.000 0.421 513 I N -0.135 120.322 120.570 -0.188 0.000 2.546 513 I HA -0.225 3.946 4.170 0.002 0.000 0.255 513 I C 2.480 178.183 176.117 -0.690 0.000 1.163 513 I CA 1.062 62.042 61.300 -0.534 0.000 1.457 513 I CB -0.801 36.722 38.000 -0.793 0.000 1.092 513 I HN 0.356 nan 8.210 nan 0.000 0.434 514 Q N 1.336 120.906 119.800 -0.384 0.000 2.234 514 Q HA -0.188 4.153 4.340 0.002 0.000 0.206 514 Q C 1.812 177.554 176.000 -0.431 0.000 0.980 514 Q CA 1.705 57.293 55.803 -0.358 0.000 0.869 514 Q CB -0.789 27.711 28.738 -0.397 0.000 0.912 514 Q HN 0.557 nan 8.270 nan 0.000 0.436 515 F N 1.683 121.485 119.950 -0.246 0.000 2.206 515 F HA -0.081 4.448 4.527 0.002 0.000 0.298 515 F C 2.565 178.319 175.800 -0.076 0.000 1.090 515 F CA 1.362 59.279 58.000 -0.139 0.000 1.323 515 F CB -0.176 38.744 39.000 -0.133 0.000 1.028 515 F HN 0.070 nan 8.300 nan 0.000 0.492 516 Q N -0.168 119.600 119.800 -0.053 0.000 2.061 516 Q HA -0.212 4.130 4.340 0.002 0.000 0.204 516 Q C 2.232 178.182 176.000 -0.084 0.000 0.984 516 Q CA 2.051 57.785 55.803 -0.114 0.000 0.846 516 Q CB -0.644 27.924 28.738 -0.283 0.000 0.902 516 Q HN 0.444 nan 8.270 nan 0.000 0.421 517 F N -0.934 118.863 119.950 -0.255 0.000 2.146 517 F HA -0.237 4.291 4.527 0.002 0.000 0.298 517 F C 2.346 178.103 175.800 -0.072 0.000 1.096 517 F CA 0.595 58.307 58.000 -0.480 0.000 1.275 517 F CB -0.289 38.256 39.000 -0.758 0.000 1.008 517 F HN 0.100 nan 8.300 nan 0.000 0.480 518 Y N 1.563 121.862 120.300 -0.001 0.000 2.145 518 Y HA -0.265 4.287 4.550 0.002 0.000 0.286 518 Y C 2.505 178.443 175.900 0.064 0.000 1.145 518 Y CA 1.865 59.957 58.100 -0.013 0.000 1.148 518 Y CB -0.511 37.814 38.460 -0.225 0.000 0.981 518 Y HN -0.087 nan 8.280 nan 0.000 0.507 519 K N -0.548 119.939 120.400 0.145 0.000 2.009 519 K HA -0.188 4.133 4.320 0.002 0.000 0.210 519 K C 2.267 178.946 176.600 0.131 0.000 1.049 519 K CA 1.986 58.327 56.287 0.091 0.000 0.929 519 K CB -0.367 32.239 32.500 0.177 0.000 0.714 519 K HN 0.281 nan 8.250 nan 0.000 0.440 520 S N 0.418 116.238 115.700 0.200 0.000 2.368 520 S HA -0.141 4.330 4.470 0.002 0.000 0.225 520 S C 2.014 176.706 174.600 0.154 0.000 1.030 520 S CA 1.188 59.523 58.200 0.223 0.000 0.999 520 S CB -0.305 63.114 63.200 0.364 0.000 0.844 520 S HN 0.544 nan 8.310 nan 0.000 0.459 521 A N 0.464 123.405 122.820 0.201 0.000 1.902 521 A HA -0.144 4.178 4.320 0.002 0.000 0.217 521 A C 2.398 179.984 177.584 0.003 0.000 1.181 521 A CA 1.533 53.637 52.037 0.110 0.000 0.623 521 A CB -1.220 17.935 19.000 0.258 0.000 0.818 521 A HN 0.626 nan 8.150 nan 0.000 0.443 522 c N -0.760 117.784 118.600 -0.094 0.000 2.446 522 c HA -0.034 4.537 4.570 0.002 0.000 0.277 522 c C 2.549 176.653 174.090 0.023 0.000 1.275 522 c CA 0.811 57.069 56.329 -0.118 0.000 1.727 522 c CB -1.320 41.013 42.510 -0.294 0.000 2.010 522 c HN 0.624 nan 8.230 nan 0.000 0.486 523 I N 1.005 121.622 120.570 0.078 0.000 2.142 523 I HA -0.241 3.930 4.170 0.002 0.000 0.240 523 I C 2.513 178.636 176.117 0.010 0.000 1.078 523 I CA 1.661 62.999 61.300 0.063 0.000 1.343 523 I CB -0.479 37.566 38.000 0.075 0.000 1.046 523 I HN 0.357 nan 8.210 nan 0.000 0.405 524 K N 0.893 121.289 120.400 -0.006 0.000 2.113 524 K HA -0.195 4.126 4.320 0.002 0.000 0.208 524 K C 1.987 178.571 176.600 -0.027 0.000 1.047 524 K CA 1.667 57.933 56.287 -0.035 0.000 0.928 524 K CB -0.338 32.114 32.500 -0.080 0.000 0.716 524 K HN 0.360 nan 8.250 nan 0.000 0.446 525 A N 0.314 123.125 122.820 -0.014 0.000 2.206 525 A HA 0.142 4.463 4.320 0.002 0.000 0.211 525 A C 1.502 179.084 177.584 -0.004 0.000 1.158 525 A CA 0.885 52.917 52.037 -0.009 0.000 0.761 525 A CB -0.456 18.544 19.000 -0.000 0.000 0.801 525 A HN 0.438 nan 8.150 nan 0.000 0.473 526 G N -1.510 107.288 108.800 -0.003 0.000 2.143 526 G HA2 -0.257 3.704 3.960 0.002 0.000 0.248 526 G HA3 -0.257 3.704 3.960 0.002 0.000 0.248 526 G C 0.660 175.568 174.900 0.013 0.000 0.991 526 G CA 0.578 45.677 45.100 -0.002 0.000 0.689 526 G HN 0.438 nan 8.290 nan 0.000 0.522 527 Q N -1.643 118.174 119.800 0.029 0.000 2.319 527 Q HA 0.226 4.567 4.340 0.002 0.000 0.209 527 Q C -0.103 175.964 176.000 0.111 0.000 0.884 527 Q CA 0.223 56.053 55.803 0.044 0.000 0.938 527 Q CB 0.760 29.508 28.738 0.016 0.000 1.098 527 Q HN 0.725 nan 8.270 nan 0.000 0.517 528 Y N 0.796 121.064 120.300 -0.053 0.000 2.386 528 Y HA 0.424 4.976 4.550 0.002 0.000 0.334 528 Y C -1.856 174.027 175.900 -0.029 0.000 1.002 528 Y CA -2.013 56.059 58.100 -0.048 0.000 1.068 528 Y CB 1.382 39.804 38.460 -0.064 0.000 1.203 528 Y HN -0.192 nan 8.280 nan 0.000 0.443 529 D N 8.213 128.417 120.400 -0.327 0.000 2.855 529 D HA 0.387 5.029 4.640 0.002 0.000 0.241 529 D C -2.399 173.598 176.300 -0.506 0.000 1.277 529 D CA -2.268 51.431 54.000 -0.501 0.000 0.918 529 D CB 2.995 43.678 40.800 -0.194 0.000 1.462 529 D HN 0.318 nan 8.370 nan 0.000 0.559 530 P HA 0.003 nan 4.420 nan 0.000 0.226 530 P C 0.168 177.415 177.300 -0.088 0.000 1.153 530 P CA 0.695 63.644 63.100 -0.252 0.000 0.777 530 P CB 0.565 32.155 31.700 -0.183 0.000 0.794 531 D N -1.192 119.140 120.400 -0.113 0.000 2.363 531 D HA 0.040 4.682 4.640 0.002 0.000 0.214 531 D C 0.215 176.491 176.300 -0.040 0.000 1.093 531 D CA 0.314 54.281 54.000 -0.056 0.000 0.837 531 D CB -0.142 40.625 40.800 -0.054 0.000 0.948 531 D HN 0.107 nan 8.370 nan 0.000 0.507 532 N N 1.140 119.815 118.700 -0.042 0.000 2.524 532 N HA 0.001 4.742 4.740 0.002 0.000 0.261 532 N C 0.783 176.297 175.510 0.008 0.000 0.998 532 N CA -0.365 52.673 53.050 -0.019 0.000 0.915 532 N CB 1.783 40.253 38.487 -0.029 0.000 1.187 532 N HN -0.272 nan 8.380 nan 0.000 0.507 533 V N 3.231 123.151 119.914 0.010 0.000 2.660 533 V HA -0.131 3.990 4.120 0.002 0.000 0.257 533 V C 1.248 177.355 176.094 0.022 0.000 1.088 533 V CA 1.830 64.141 62.300 0.018 0.000 1.106 533 V CB -0.111 31.719 31.823 0.011 0.000 0.686 533 V HN 0.582 nan 8.190 nan 0.000 0.481 534 E N -0.223 119.988 120.200 0.019 0.000 2.478 534 E HA 0.154 4.505 4.350 0.002 0.000 0.194 534 E C 0.679 177.300 176.600 0.035 0.000 1.045 534 E CA 0.291 56.704 56.400 0.022 0.000 0.868 534 E CB 0.228 29.937 29.700 0.014 0.000 0.885 534 E HN 0.542 nan 8.360 nan 0.000 0.505 535 L N 2.611 123.864 121.223 0.049 0.000 2.732 535 L HA 0.268 4.609 4.340 0.002 0.000 0.246 535 L C -2.403 174.568 176.870 0.168 0.000 1.407 535 L CA -1.514 53.377 54.840 0.085 0.000 0.861 535 L CB 1.065 43.164 42.059 0.067 0.000 1.161 535 L HN -0.197 nan 8.230 nan 0.000 0.510 536 P HA 0.054 nan 4.420 nan 0.000 0.277 536 P C 0.744 178.026 177.300 -0.031 0.000 1.240 536 P CA -0.570 62.584 63.100 0.089 0.000 0.798 536 P CB 2.092 33.792 31.700 -0.001 0.000 0.979 537 L N 2.500 123.556 121.223 -0.280 0.000 2.079 537 L HA -0.156 4.185 4.340 0.002 0.000 0.210 537 L C 1.626 178.339 176.870 -0.262 0.000 1.081 537 L CA 2.078 56.586 54.840 -0.552 0.000 0.752 537 L CB -1.412 40.123 42.059 -0.875 0.000 0.896 537 L HN 0.422 nan 8.230 nan 0.000 0.433 538 D N -2.365 117.766 120.400 -0.449 0.000 2.363 538 D HA -0.124 4.517 4.640 0.002 0.000 0.226 538 D C 0.784 177.037 176.300 -0.078 0.000 1.020 538 D CA 0.316 54.059 54.000 -0.428 0.000 0.892 538 D CB -0.360 40.060 40.800 -0.633 0.000 0.900 538 D HN 0.355 nan 8.370 nan 0.000 0.531 539 N N 0.179 118.866 118.700 -0.021 0.000 2.299 539 N HA 0.022 4.763 4.740 0.002 0.000 0.246 539 N C -0.821 174.735 175.510 0.077 0.000 1.254 539 N CA -0.510 52.566 53.050 0.044 0.000 0.879 539 N CB 0.272 38.781 38.487 0.038 0.000 1.214 539 N HN 0.197 nan 8.380 nan 0.000 0.510 540 c N 0.727 119.379 118.600 0.087 0.000 2.648 540 c HA 0.353 4.924 4.570 0.002 0.000 0.415 540 c C 0.052 174.219 174.090 0.127 0.000 1.366 540 c CA -0.472 55.885 56.329 0.046 0.000 1.756 540 c CB -0.658 41.762 42.510 -0.149 0.000 2.549 540 c HN 0.386 nan 8.230 nan 0.000 0.597 541 D N 4.141 124.613 120.400 0.119 0.000 2.440 541 D HA 0.307 4.949 4.640 0.002 0.000 0.239 541 D C 0.765 177.165 176.300 0.167 0.000 1.084 541 D CA -0.669 53.449 54.000 0.198 0.000 0.843 541 D CB 0.846 41.784 40.800 0.230 0.000 1.097 541 D HN 0.667 nan 8.370 nan 0.000 0.531 542 I N 1.478 122.176 120.570 0.213 0.000 3.735 542 I HA 0.247 4.418 4.170 0.002 0.000 0.310 542 I C 0.311 176.496 176.117 0.112 0.000 1.270 542 I CA -0.599 60.795 61.300 0.156 0.000 1.207 542 I CB -0.460 37.637 38.000 0.163 0.000 1.013 542 I HN 0.208 nan 8.210 nan 0.000 0.452 543 Y N 3.125 123.345 120.300 -0.133 0.000 2.702 543 Y HA 0.302 4.854 4.550 0.002 0.000 0.336 543 Y C 1.538 177.260 175.900 -0.297 0.000 1.235 543 Y CA 1.196 58.904 58.100 -0.653 0.000 1.492 543 Y CB 0.564 38.574 38.460 -0.750 0.000 1.308 543 Y HN 0.433 nan 8.280 nan 0.000 0.589 544 G N 3.201 111.438 108.800 -0.939 0.000 2.189 544 G HA2 -0.322 3.640 3.960 0.002 0.000 0.267 544 G HA3 -0.322 3.640 3.960 0.002 0.000 0.267 544 G C 0.204 174.955 174.900 -0.248 0.000 0.975 544 G CA 0.451 45.227 45.100 -0.540 0.000 0.644 544 G HN 1.013 nan 8.290 nan 0.000 0.537 545 S N 0.369 115.962 115.700 -0.178 0.000 2.409 545 S HA 0.683 5.155 4.470 0.002 0.000 0.308 545 S C 1.735 176.295 174.600 -0.066 0.000 1.080 545 S CA 0.578 58.730 58.200 -0.081 0.000 1.081 545 S CB 0.731 63.915 63.200 -0.026 0.000 1.009 545 S HN 1.514 nan 8.310 nan 0.000 0.502 546 A N 5.391 128.169 122.820 -0.070 0.000 1.948 546 A HA 0.010 4.332 4.320 0.002 0.000 0.220 546 A C 2.382 179.946 177.584 -0.033 0.000 1.177 546 A CA 1.920 53.926 52.037 -0.051 0.000 0.636 546 A CB -1.215 17.752 19.000 -0.054 0.000 0.815 546 A HN 1.182 nan 8.150 nan 0.000 0.449 547 A N -0.313 122.485 122.820 -0.037 0.000 1.902 547 A HA 0.168 4.489 4.320 0.002 0.000 0.217 547 A C 2.492 180.042 177.584 -0.057 0.000 1.181 547 A CA 2.080 54.089 52.037 -0.047 0.000 0.623 547 A CB -0.931 18.041 19.000 -0.046 0.000 0.818 547 A HN 1.058 nan 8.150 nan 0.000 0.443 548 A N -0.576 122.235 122.820 -0.014 0.000 1.897 548 A HA 0.192 4.513 4.320 0.002 0.000 0.215 548 A C 2.391 180.061 177.584 0.144 0.000 1.181 548 A CA 1.725 53.785 52.037 0.039 0.000 0.620 548 A CB -1.304 17.778 19.000 0.137 0.000 0.821 548 A HN 0.715 nan 8.150 nan 0.000 0.443 549 G N -0.468 108.407 108.800 0.125 0.000 2.432 549 G HA2 0.027 3.988 3.960 0.002 0.000 0.219 549 G HA3 0.027 3.988 3.960 0.002 0.000 0.219 549 G C 1.675 176.661 174.900 0.143 0.000 1.135 549 G CA 1.346 46.544 45.100 0.162 0.000 0.767 549 G HN 0.749 nan 8.290 nan 0.000 0.550 550 A N 1.204 124.049 122.820 0.041 0.000 1.902 550 A HA 0.286 4.607 4.320 0.002 0.000 0.217 550 A C 2.818 180.388 177.584 -0.023 0.000 1.181 550 A CA 2.183 54.237 52.037 0.028 0.000 0.623 550 A CB -0.773 18.213 19.000 -0.022 0.000 0.818 550 A HN 0.728 nan 8.150 nan 0.000 0.443 551 A N -1.062 121.631 122.820 -0.212 0.000 1.902 551 A HA 0.008 4.329 4.320 0.002 0.000 0.217 551 A C 1.945 179.294 177.584 -0.392 0.000 1.181 551 A CA 1.494 53.201 52.037 -0.550 0.000 0.623 551 A CB -0.786 17.486 19.000 -1.213 0.000 0.818 551 A HN 0.441 nan 8.150 nan 0.000 0.443 552 F N -0.544 119.345 119.950 -0.102 0.000 2.095 552 F HA -0.221 4.307 4.527 0.003 0.000 0.298 552 F C 2.344 178.161 175.800 0.029 0.000 1.104 552 F CA 2.073 60.113 58.000 0.067 0.000 1.232 552 F CB -0.862 38.169 39.000 0.052 0.000 0.987 552 F HN 0.510 nan 8.300 nan 0.000 0.475 553 H N 0.300 119.463 119.070 0.155 0.000 2.319 553 H HA -0.157 4.400 4.556 0.002 0.000 0.299 553 H C 2.035 177.405 175.328 0.071 0.000 1.092 553 H CA 2.163 58.263 56.048 0.087 0.000 1.302 553 H CB -0.447 29.344 29.762 0.048 0.000 1.373 553 H HN 0.025 nan 8.280 nan 0.000 0.497 554 N N -0.234 118.422 118.700 -0.073 0.000 2.205 554 N HA -0.157 4.584 4.740 0.002 0.000 0.186 554 N C 2.064 177.542 175.510 -0.053 0.000 1.015 554 N CA 1.578 54.561 53.050 -0.112 0.000 0.862 554 N CB -0.279 38.180 38.487 -0.047 0.000 0.986 554 N HN 0.566 nan 8.380 nan 0.000 0.429 555 M N -0.274 119.334 119.600 0.014 0.000 2.398 555 M HA 0.091 4.572 4.480 0.002 0.000 0.261 555 M C 1.546 177.892 176.300 0.078 0.000 1.125 555 M CA 0.770 56.120 55.300 0.082 0.000 1.183 555 M CB 0.087 32.770 32.600 0.137 0.000 1.322 555 M HN -0.061 nan 8.290 nan 0.000 0.467 556 L N 0.618 121.843 121.223 0.003 0.000 2.131 556 L HA -0.126 4.216 4.340 0.002 0.000 0.210 556 L C 2.631 179.658 176.870 0.262 0.000 1.092 556 L CA 1.429 56.265 54.840 -0.007 0.000 0.759 556 L CB -0.898 41.032 42.059 -0.217 0.000 0.903 556 L HN 0.516 nan 8.230 nan 0.000 0.435 557 S N -0.578 115.187 115.700 0.109 0.000 2.474 557 S HA -0.131 4.340 4.470 0.002 0.000 0.235 557 S C 1.852 176.601 174.600 0.249 0.000 0.997 557 S CA 0.748 59.070 58.200 0.204 0.000 0.949 557 S CB -0.338 62.808 63.200 -0.090 0.000 0.766 557 S HN 0.385 nan 8.310 nan 0.000 0.517 558 M N 1.516 121.209 119.600 0.154 0.000 2.374 558 M HA 0.157 4.638 4.480 0.002 0.000 0.264 558 M C 1.979 178.301 176.300 0.037 0.000 1.067 558 M CA 0.644 55.987 55.300 0.073 0.000 1.103 558 M CB -1.166 31.451 32.600 0.028 0.000 1.402 558 M HN 0.580 nan 8.290 nan 0.000 0.444 559 G N 1.092 110.014 108.800 0.204 0.000 2.672 559 G HA2 -0.367 3.594 3.960 0.002 0.000 0.324 559 G HA3 -0.367 3.594 3.960 0.002 0.000 0.324 559 G C 0.483 175.297 174.900 -0.143 0.000 1.286 559 G CA 0.442 45.543 45.100 0.002 0.000 1.004 559 G HN 0.659 nan 8.290 nan 0.000 0.548 560 A N -0.146 122.499 122.820 -0.293 0.000 2.610 560 A HA 0.637 4.958 4.320 0.002 0.000 0.286 560 A C 2.028 179.250 177.584 -0.603 0.000 1.306 560 A CA 1.376 53.231 52.037 -0.304 0.000 0.942 560 A CB -0.240 18.628 19.000 -0.220 0.000 1.112 560 A HN 1.936 nan 8.150 nan 0.000 0.527 561 S N -0.193 115.011 115.700 -0.827 0.000 2.447 561 S HA 0.034 4.505 4.470 0.002 0.000 0.233 561 S C 0.790 174.928 174.600 -0.770 0.000 1.006 561 S CA 0.650 57.964 58.200 -1.477 0.000 0.957 561 S CB 0.027 62.748 63.200 -0.798 0.000 0.773 561 S HN 0.317 nan 8.310 nan 0.000 0.507 562 K N 1.054 121.200 120.400 -0.424 0.000 2.482 562 K HA 0.551 4.872 4.320 0.002 0.000 0.257 562 K C -3.332 173.156 176.600 -0.187 0.000 0.969 562 K CA -2.525 53.619 56.287 -0.238 0.000 0.842 562 K CB 0.938 33.347 32.500 -0.152 0.000 1.359 562 K HN -0.088 nan 8.250 nan 0.000 0.441 563 P HA -0.039 nan 4.420 nan 0.000 0.265 563 P C 1.040 178.225 177.300 -0.192 0.000 1.187 563 P CA -0.081 62.914 63.100 -0.175 0.000 0.766 563 P CB 0.226 31.795 31.700 -0.217 0.000 0.820 564 W N 3.854 125.057 121.300 -0.162 0.000 2.350 564 W HA -0.073 4.589 4.660 0.002 0.000 0.289 564 W C -1.710 174.801 176.519 -0.014 0.000 1.215 564 W CA 1.107 58.305 57.345 -0.246 0.000 1.236 564 W CB -2.960 26.270 29.460 -0.383 0.000 1.130 564 W HN 0.320 nan 8.180 nan 0.000 0.541 565 P HA -0.135 nan 4.420 nan 0.000 0.219 565 P C 1.196 178.475 177.300 -0.034 0.000 1.146 565 P CA 2.135 65.015 63.100 -0.367 0.000 0.808 565 P CB -0.200 31.130 31.700 -0.615 0.000 0.779 566 D N -0.693 119.663 120.400 -0.072 0.000 2.178 566 D HA -0.074 4.567 4.640 0.002 0.000 0.202 566 D C 1.934 178.285 176.300 0.085 0.000 0.974 566 D CA 1.276 55.276 54.000 -0.000 0.000 0.841 566 D CB -0.470 40.305 40.800 -0.043 0.000 0.953 566 D HN 0.108 nan 8.370 nan 0.000 0.478 567 A N 0.880 123.777 122.820 0.128 0.000 1.929 567 A HA -0.086 4.235 4.320 0.002 0.000 0.216 567 A C 2.110 179.945 177.584 0.419 0.000 1.176 567 A CA 0.602 52.771 52.037 0.220 0.000 0.628 567 A CB -0.542 18.543 19.000 0.141 0.000 0.816 567 A HN 0.192 nan 8.150 nan 0.000 0.444 568 L N 0.318 121.889 121.223 0.580 0.000 2.046 568 L HA -0.152 4.190 4.340 0.002 0.000 0.208 568 L C 2.165 179.267 176.870 0.387 0.000 1.077 568 L CA 2.620 57.818 54.840 0.595 0.000 0.747 568 L CB -0.782 41.648 42.059 0.618 0.000 0.896 568 L HN 0.594 nan 8.230 nan 0.000 0.432 569 E N -0.818 119.540 120.200 0.264 0.000 2.110 569 E HA -0.231 4.120 4.350 0.002 0.000 0.193 569 E C 2.094 178.787 176.600 0.154 0.000 0.988 569 E CA 1.074 57.580 56.400 0.175 0.000 0.804 569 E CB -0.153 29.610 29.700 0.104 0.000 0.745 569 E HN 0.626 nan 8.360 nan 0.000 0.458 570 A N 0.143 123.056 122.820 0.154 0.000 1.972 570 A HA -0.175 4.147 4.320 0.002 0.000 0.219 570 A C 1.885 179.531 177.584 0.104 0.000 1.169 570 A CA 1.049 53.149 52.037 0.105 0.000 0.635 570 A CB -0.635 18.420 19.000 0.093 0.000 0.810 570 A HN 0.463 nan 8.150 nan 0.000 0.446 571 F N 1.302 121.265 119.950 0.023 0.000 2.118 571 F HA -0.066 4.462 4.527 0.002 0.000 0.293 571 F C 1.670 177.462 175.800 -0.013 0.000 1.102 571 F CA 1.799 59.768 58.000 -0.052 0.000 1.247 571 F CB 0.177 39.119 39.000 -0.098 0.000 1.017 571 F HN 0.463 nan 8.300 nan 0.000 0.475 572 N N -1.386 117.480 118.700 0.277 0.000 2.081 572 N HA 0.202 4.943 4.740 0.002 0.000 0.230 572 N C 0.918 176.510 175.510 0.136 0.000 1.351 572 N CA 0.637 53.802 53.050 0.191 0.000 0.840 572 N CB 0.449 39.142 38.487 0.344 0.000 1.189 572 N HN 0.346 nan 8.380 nan 0.000 0.503 573 G N -0.082 108.795 108.800 0.129 0.000 2.179 573 G HA2 -0.290 3.671 3.960 0.002 0.000 0.260 573 G HA3 -0.290 3.671 3.960 0.002 0.000 0.260 573 G C -0.395 174.569 174.900 0.108 0.000 0.977 573 G CA 0.479 45.637 45.100 0.097 0.000 0.641 573 G HN 0.510 nan 8.290 nan 0.000 0.533 574 E N -0.937 119.350 120.200 0.145 0.000 2.232 574 E HA 0.705 5.056 4.350 0.002 0.000 0.265 574 E C 0.808 177.501 176.600 0.154 0.000 1.001 574 E CA -0.932 55.549 56.400 0.136 0.000 0.870 574 E CB 1.036 30.824 29.700 0.146 0.000 1.175 574 E HN 0.248 nan 8.360 nan 0.000 0.407 575 R N 0.403 120.980 120.500 0.129 0.000 2.531 575 R HA 0.343 4.685 4.340 0.002 0.000 0.316 575 R C -0.146 176.232 176.300 0.130 0.000 0.955 575 R CA -0.052 56.107 56.100 0.099 0.000 1.120 575 R CB 0.595 30.903 30.300 0.012 0.000 1.361 575 R HN 0.396 nan 8.270 nan 0.000 0.534 576 I N 1.476 122.170 120.570 0.206 0.000 2.406 576 I HA 0.278 4.450 4.170 0.002 0.000 0.290 576 I C -0.152 176.152 176.117 0.312 0.000 0.999 576 I CA -0.856 60.594 61.300 0.250 0.000 1.124 576 I CB 2.035 40.126 38.000 0.151 0.000 1.289 576 I HN -0.034 nan 8.210 nan 0.000 0.441 577 M N 6.148 126.010 119.600 0.436 0.000 2.238 577 M HA 0.201 4.682 4.480 0.002 0.000 0.350 577 M C -0.325 176.030 176.300 0.093 0.000 1.321 577 M CA 0.888 56.309 55.300 0.203 0.000 1.097 577 M CB 0.499 33.173 32.600 0.124 0.000 1.713 577 M HN 0.645 nan 8.290 nan 0.000 0.455 578 S N 2.808 118.526 115.700 0.030 0.000 2.536 578 S HA 0.621 5.093 4.470 0.002 0.000 0.271 578 S C 0.366 174.968 174.600 0.003 0.000 1.134 578 S CA -0.344 57.872 58.200 0.026 0.000 0.897 578 S CB 1.594 64.824 63.200 0.050 0.000 1.094 578 S HN 0.904 nan 8.310 nan 0.000 0.473 579 G N 2.657 111.459 108.800 0.003 0.000 3.088 579 G HA2 0.046 4.007 3.960 0.002 0.000 0.212 579 G HA3 0.046 4.007 3.960 0.002 0.000 0.212 579 G C 1.032 175.939 174.900 0.012 0.000 1.173 579 G CA 0.129 45.227 45.100 -0.003 0.000 0.779 579 G HN 0.741 nan 8.290 nan 0.000 0.540 580 K N 0.604 121.022 120.400 0.031 0.000 2.063 580 K HA -0.034 4.287 4.320 0.002 0.000 0.208 580 K C 2.646 179.284 176.600 0.063 0.000 1.048 580 K CA 1.386 57.702 56.287 0.049 0.000 0.928 580 K CB -0.200 32.335 32.500 0.059 0.000 0.713 580 K HN 0.179 nan 8.250 nan 0.000 0.442 581 A N 1.366 124.230 122.820 0.074 0.000 1.898 581 A HA -0.114 4.207 4.320 0.002 0.000 0.216 581 A C 2.131 179.769 177.584 0.089 0.000 1.181 581 A CA 1.304 53.414 52.037 0.122 0.000 0.620 581 A CB -0.530 18.566 19.000 0.160 0.000 0.819 581 A HN 0.497 nan 8.150 nan 0.000 0.442 582 I N -0.550 119.996 120.570 -0.039 0.000 2.315 582 I HA -0.203 3.968 4.170 0.002 0.000 0.248 582 I C 2.604 178.670 176.117 -0.084 0.000 1.117 582 I CA 1.195 62.262 61.300 -0.388 0.000 1.404 582 I CB -0.123 37.560 38.000 -0.529 0.000 1.071 582 I HN 0.331 nan 8.210 nan 0.000 0.419 583 A N 0.076 122.900 122.820 0.007 0.000 1.972 583 A HA -0.279 4.043 4.320 0.002 0.000 0.219 583 A C 2.260 179.905 177.584 0.102 0.000 1.169 583 A CA 1.908 53.990 52.037 0.075 0.000 0.635 583 A CB -0.625 18.405 19.000 0.050 0.000 0.810 583 A HN 0.626 nan 8.150 nan 0.000 0.446 584 E N -1.661 118.591 120.200 0.086 0.000 2.072 584 E HA -0.212 4.139 4.350 0.002 0.000 0.190 584 E C 1.798 178.429 176.600 0.051 0.000 0.982 584 E CA 1.107 57.560 56.400 0.089 0.000 0.803 584 E CB -0.323 29.448 29.700 0.118 0.000 0.755 584 E HN 0.720 nan 8.360 nan 0.000 0.453 585 Y N -0.477 119.741 120.300 -0.137 0.000 2.165 585 Y HA -0.222 4.329 4.550 0.002 0.000 0.286 585 Y C 1.362 177.022 175.900 -0.400 0.000 1.155 585 Y CA 1.744 59.660 58.100 -0.307 0.000 1.164 585 Y CB -0.019 38.189 38.460 -0.420 0.000 0.978 585 Y HN 0.060 nan 8.280 nan 0.000 0.513 586 F N -0.032 120.019 119.950 0.169 0.000 2.765 586 F HA 0.107 4.635 4.527 0.002 0.000 0.302 586 F C 2.017 177.863 175.800 0.076 0.000 1.111 586 F CA 0.562 58.639 58.000 0.127 0.000 1.359 586 F CB -0.285 38.756 39.000 0.069 0.000 1.097 586 F HN 0.070 nan 8.300 nan 0.000 0.577 587 E N 1.771 122.070 120.200 0.165 0.000 2.097 587 E HA -0.182 4.170 4.350 0.002 0.000 0.196 587 E C -0.726 175.955 176.600 0.134 0.000 1.000 587 E CA 1.707 58.188 56.400 0.135 0.000 0.804 587 E CB -1.219 28.537 29.700 0.094 0.000 0.740 587 E HN 0.154 nan 8.360 nan 0.000 0.454 588 P HA -0.129 nan 4.420 nan 0.000 0.216 588 P C 1.493 178.916 177.300 0.206 0.000 1.150 588 P CA 0.886 64.060 63.100 0.124 0.000 0.837 588 P CB -0.098 31.639 31.700 0.061 0.000 0.786 589 L N -0.095 121.273 121.223 0.241 0.000 2.056 589 L HA -0.064 4.278 4.340 0.002 0.000 0.207 589 L C 2.621 179.693 176.870 0.337 0.000 1.078 589 L CA 1.757 56.799 54.840 0.336 0.000 0.749 589 L CB -0.944 41.358 42.059 0.405 0.000 0.901 589 L HN -0.238 nan 8.230 nan 0.000 0.433 590 R N -0.895 119.758 120.500 0.255 0.000 2.083 590 R HA -0.154 4.188 4.340 0.002 0.000 0.237 590 R C 2.060 178.452 176.300 0.154 0.000 1.137 590 R CA 2.146 58.355 56.100 0.182 0.000 0.951 590 R CB -0.425 29.958 30.300 0.137 0.000 0.851 590 R HN 0.354 nan 8.270 nan 0.000 0.434 591 V N -0.070 119.940 119.914 0.160 0.000 2.261 591 V HA -0.265 3.857 4.120 0.002 0.000 0.246 591 V C 1.970 178.145 176.094 0.134 0.000 1.047 591 V CA 2.093 64.467 62.300 0.124 0.000 1.015 591 V CB -0.748 31.150 31.823 0.126 0.000 0.642 591 V HN 0.575 nan 8.190 nan 0.000 0.446 592 W N 0.260 121.591 121.300 0.052 0.000 2.335 592 W HA -0.222 4.439 4.660 0.002 0.000 0.311 592 W C 2.183 178.702 176.519 -0.000 0.000 1.213 592 W CA 1.871 59.242 57.345 0.044 0.000 1.274 592 W CB -0.356 29.150 29.460 0.076 0.000 1.148 592 W HN 0.197 nan 8.180 nan 0.000 0.498 593 L N 1.304 122.612 121.223 0.142 0.000 2.056 593 L HA -0.141 4.200 4.340 0.002 0.000 0.207 593 L C 2.246 178.986 176.870 -0.217 0.000 1.078 593 L CA 2.206 56.989 54.840 -0.094 0.000 0.749 593 L CB -1.195 40.994 42.059 0.216 0.000 0.901 593 L HN 0.098 nan 8.230 nan 0.000 0.433 594 E N -0.764 119.376 120.200 -0.099 0.000 2.110 594 E HA -0.210 4.141 4.350 0.002 0.000 0.193 594 E C 2.099 178.595 176.600 -0.174 0.000 0.988 594 E CA 1.129 57.470 56.400 -0.097 0.000 0.804 594 E CB -0.203 29.471 29.700 -0.043 0.000 0.745 594 E HN 0.634 nan 8.360 nan 0.000 0.458 595 A N 1.013 123.688 122.820 -0.242 0.000 1.930 595 A HA -0.167 4.155 4.320 0.002 0.000 0.215 595 A C 2.004 179.365 177.584 -0.372 0.000 1.176 595 A CA 1.335 53.215 52.037 -0.261 0.000 0.632 595 A CB -0.210 18.657 19.000 -0.221 0.000 0.819 595 A HN 0.099 nan 8.150 nan 0.000 0.445 596 E N 0.764 120.577 120.200 -0.645 0.000 2.106 596 E HA -0.142 4.210 4.350 0.002 0.000 0.192 596 E C 1.733 178.106 176.600 -0.379 0.000 0.984 596 E CA 1.471 57.449 56.400 -0.703 0.000 0.806 596 E CB -0.214 28.660 29.700 -1.377 0.000 0.750 596 E HN 0.527 nan 8.360 nan 0.000 0.458 597 N N 0.051 118.575 118.700 -0.293 0.000 2.188 597 N HA -0.096 4.645 4.740 0.002 0.000 0.184 597 N C 1.863 177.268 175.510 -0.175 0.000 1.018 597 N CA 1.090 54.039 53.050 -0.169 0.000 0.858 597 N CB -0.151 38.288 38.487 -0.081 0.000 0.989 597 N HN 0.280 nan 8.380 nan 0.000 0.426 598 I N 1.228 121.701 120.570 -0.162 0.000 2.252 598 I HA -0.225 3.946 4.170 0.002 0.000 0.245 598 I C 2.451 178.489 176.117 -0.131 0.000 1.102 598 I CA 0.970 62.194 61.300 -0.126 0.000 1.385 598 I CB -0.142 37.794 38.000 -0.106 0.000 1.064 598 I HN 0.107 nan 8.210 nan 0.000 0.414 599 K N 0.907 121.213 120.400 -0.156 0.000 2.103 599 K HA -0.187 4.134 4.320 0.002 0.000 0.207 599 K C 1.343 177.866 176.600 -0.129 0.000 1.048 599 K CA 1.503 57.713 56.287 -0.130 0.000 0.930 599 K CB -0.040 32.372 32.500 -0.146 0.000 0.716 599 K HN 0.371 nan 8.250 nan 0.000 0.444 600 N N 1.078 119.663 118.700 -0.192 0.000 2.270 600 N HA -0.063 4.678 4.740 0.002 0.000 0.198 600 N C -0.396 174.952 175.510 -0.270 0.000 1.117 600 N CA 0.066 52.959 53.050 -0.262 0.000 0.845 600 N CB 0.235 38.422 38.487 -0.500 0.000 0.980 600 N HN 0.199 nan 8.380 nan 0.000 0.486 601 N N 0.902 119.494 118.700 -0.179 0.000 2.725 601 N HA -0.166 4.576 4.740 0.002 0.000 0.251 601 N C -1.142 174.290 175.510 -0.130 0.000 1.031 601 N CA 0.215 53.194 53.050 -0.119 0.000 0.720 601 N CB -1.437 37.005 38.487 -0.075 0.000 0.930 601 N HN -0.083 nan 8.380 nan 0.000 0.543 602 V N 1.770 121.577 119.914 -0.177 0.000 2.530 602 V HA 0.113 4.235 4.120 0.002 0.000 0.282 602 V C 0.896 176.984 176.094 -0.011 0.000 1.048 602 V CA -0.517 61.689 62.300 -0.157 0.000 0.997 602 V CB 1.000 32.698 31.823 -0.209 0.000 0.987 602 V HN 0.464 nan 8.190 nan 0.000 0.477 603 H N 5.593 124.656 119.070 -0.011 0.000 2.764 603 H HA 0.369 4.926 4.556 0.002 0.000 0.341 603 H C -0.486 174.890 175.328 0.080 0.000 1.072 603 H CA -0.266 55.800 56.048 0.030 0.000 1.444 603 H CB 0.506 30.300 29.762 0.052 0.000 1.458 603 H HN 0.393 nan 8.280 nan 0.000 0.572 604 I N 4.503 124.797 120.570 -0.460 0.000 2.441 604 I HA 0.462 4.633 4.170 0.002 0.000 0.295 604 I C 1.038 176.942 176.117 -0.353 0.000 0.994 604 I CA 0.366 61.527 61.300 -0.231 0.000 1.144 604 I CB 0.733 38.648 38.000 -0.141 0.000 1.314 604 I HN 0.962 nan 8.210 nan 0.000 0.445 605 G N 5.543 114.298 108.800 -0.074 0.000 2.655 605 G HA2 -0.038 3.923 3.960 0.002 0.000 0.680 605 G HA3 -0.038 3.923 3.960 0.002 0.000 0.680 605 G C -1.688 173.300 174.900 0.147 0.000 1.302 605 G CA -0.421 44.526 45.100 -0.254 0.000 0.872 605 G HN 0.958 nan 8.290 nan 0.000 0.540 606 W N -1.488 119.835 121.300 0.038 0.000 3.296 606 W HA 0.714 5.375 4.660 0.003 0.000 0.314 606 W C 0.240 176.800 176.519 0.068 0.000 1.238 606 W CA -0.772 56.633 57.345 0.100 0.000 1.193 606 W CB 0.480 29.991 29.460 0.086 0.000 1.383 606 W HN 1.213 nan 8.180 nan 0.000 0.545 607 T N -0.719 114.006 114.554 0.285 0.000 2.904 607 T HA 0.425 4.777 4.350 0.002 0.000 0.290 607 T C 0.305 175.145 174.700 0.233 0.000 1.018 607 T CA -0.381 61.819 62.100 0.168 0.000 1.075 607 T CB 0.982 69.917 68.868 0.112 0.000 0.986 607 T HN 0.573 nan 8.240 nan 0.000 0.523 608 T N 3.047 117.694 114.554 0.156 0.000 2.905 608 T HA 0.116 4.467 4.350 0.002 0.000 0.299 608 T C 0.759 175.535 174.700 0.127 0.000 1.024 608 T CA -0.021 62.175 62.100 0.159 0.000 1.151 608 T CB 0.354 69.282 68.868 0.100 0.000 0.987 608 T HN 0.830 nan 8.240 nan 0.000 0.535 609 S N 2.388 118.163 115.700 0.126 0.000 2.558 609 S HA 0.016 4.487 4.470 0.002 0.000 0.288 609 S C 1.006 175.623 174.600 0.029 0.000 1.318 609 S CA -0.583 57.651 58.200 0.057 0.000 1.056 609 S CB 0.090 63.312 63.200 0.036 0.000 0.853 609 S HN 0.651 nan 8.310 nan 0.000 0.505 610 N N 3.078 121.772 118.700 -0.009 0.000 2.275 610 N HA 0.137 4.878 4.740 0.002 0.000 0.236 610 N C 0.016 175.495 175.510 -0.053 0.000 1.154 610 N CA -0.322 52.719 53.050 -0.015 0.000 0.866 610 N CB 0.604 39.083 38.487 -0.014 0.000 1.093 610 N HN 0.460 nan 8.380 nan 0.000 0.515 611 K N 0.208 120.552 120.400 -0.094 0.000 2.444 611 K HA 0.121 4.443 4.320 0.002 0.000 0.193 611 K C 0.114 176.623 176.600 -0.153 0.000 1.024 611 K CA 0.012 56.194 56.287 -0.176 0.000 1.077 611 K CB -0.001 32.310 32.500 -0.315 0.000 0.833 611 K HN 0.067 nan 8.250 nan 0.000 0.517 612 c N 1.595 120.171 118.600 -0.040 0.000 2.407 612 c HA 0.358 4.929 4.570 0.002 0.000 0.328 612 c C -0.198 173.935 174.090 0.073 0.000 1.137 612 c CA -0.765 55.589 56.329 0.042 0.000 1.390 612 c CB -0.047 42.571 42.510 0.180 0.000 1.989 612 c HN 0.017 nan 8.230 nan 0.000 0.432 613 V N 6.862 126.812 119.914 0.060 0.000 2.470 613 V HA 0.274 4.396 4.120 0.002 0.000 0.276 613 V C 0.828 176.976 176.094 0.089 0.000 1.040 613 V CA 0.587 62.923 62.300 0.061 0.000 1.008 613 V CB 1.346 33.194 31.823 0.040 0.000 0.990 613 V HN 1.007 nan 8.190 nan 0.000 0.477 614 S N 0.000 115.752 115.700 0.086 0.000 2.498 614 S HA 0.000 4.471 4.470 0.002 0.000 0.327 614 S CA 0.000 58.256 58.200 0.094 0.000 1.107 614 S CB 0.000 63.256 63.200 0.094 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517