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 2v0m_1_C DATA FIRST_RESID 30 DATA SEQUENCE HGLFKKLGIP GPTPLPFLGN ILSYHKGFCM FDMECHKKYG KVWGFYDGQQ DATA SEQUENCE PVLAITDPDM IKTVLVKECY SVFTNRRPFG PVGFMKSAIS IAEDEEWKRL DATA SEQUENCE RSLLSPTFTS GKLKEMVPII AQYGDVLVRN LRREAETGKP VTLKDVFGAY DATA SEQUENCE SMDVITSTSF GVNIDSLNNP QDPFVENTKK LLXXDFLDPF FLSITVFPFL DATA SEQUENCE IPILEVLNIC VFPREVTNFL RKSVKRMKES RLEDTQKHRV DFLQLMIDSQ DATA SEQUENCE NSKETESHKA LSDLELVAQS IIFIFAGYET TSSVLSFIMY ELATHPDVQQ DATA SEQUENCE KLQEEIDAVL PNKAPPTYDT VLQMEYLDMV VNETLRLFPI AMRLERVCKK DATA SEQUENCE DVEINGMFIP KGVVVMIPSY ALHRDPKYWT EPEKFLPERF SKKNKDNIDP DATA SEQUENCE YIYTPFGSGP RNCIGMRFAL MNMKLALIRV LQNFSFKPCK ETQIPLKLSL DATA SEQUENCE GGLLQPEKPV VLKVESR 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 30 H HA 0.000 nan 4.556 nan 0.000 0.296 30 H C 0.000 175.244 175.328 -0.140 0.000 0.993 30 H CA 0.000 55.703 56.048 -0.574 0.000 1.023 30 H CB 0.000 29.410 29.762 -0.587 0.000 1.292 31 G N 0.604 109.435 108.800 0.052 0.000 2.939 31 G HA2 -0.039 3.944 3.960 0.038 0.000 0.210 31 G HA3 -0.039 3.944 3.960 0.038 0.000 0.210 31 G C 1.365 176.329 174.900 0.107 0.000 1.160 31 G CA 0.135 45.284 45.100 0.081 0.000 0.770 31 G HN 0.109 nan 8.290 nan 0.000 0.543 32 L N 0.215 121.496 121.223 0.096 0.000 1.976 32 L HA 0.111 4.474 4.340 0.038 0.000 0.209 32 L C 2.389 179.236 176.870 -0.038 0.000 1.071 32 L CA 1.803 56.617 54.840 -0.043 0.000 0.746 32 L CB -0.756 41.169 42.059 -0.224 0.000 0.890 32 L HN 0.186 nan 8.230 nan 0.000 0.432 33 F N 0.059 120.124 119.950 0.191 0.000 2.186 33 F HA -0.127 4.422 4.527 0.036 0.000 0.299 33 F C 2.457 178.327 175.800 0.117 0.000 1.090 33 F CA 1.175 59.241 58.000 0.109 0.000 1.307 33 F CB -0.814 38.212 39.000 0.044 0.000 1.019 33 F HN 0.072 nan 8.300 nan 0.000 0.489 34 K N 0.362 120.941 120.400 0.299 0.000 2.009 34 K HA -0.236 4.107 4.320 0.038 0.000 0.210 34 K C 2.227 178.916 176.600 0.148 0.000 1.049 34 K CA 1.567 57.972 56.287 0.197 0.000 0.929 34 K CB -0.254 32.344 32.500 0.163 0.000 0.714 34 K HN 0.129 nan 8.250 nan 0.000 0.440 35 K N 0.875 121.349 120.400 0.124 0.000 2.211 35 K HA -0.060 4.283 4.320 0.038 0.000 0.203 35 K C 1.870 178.530 176.600 0.101 0.000 1.050 35 K CA 0.750 57.091 56.287 0.089 0.000 0.945 35 K CB 0.126 32.663 32.500 0.062 0.000 0.732 35 K HN 0.125 nan 8.250 nan 0.000 0.451 36 L N -0.612 120.696 121.223 0.140 0.000 2.509 36 L HA 0.075 4.438 4.340 0.038 0.000 0.222 36 L C 0.973 177.945 176.870 0.169 0.000 1.123 36 L CA 0.609 55.553 54.840 0.173 0.000 0.856 36 L CB 0.168 42.365 42.059 0.229 0.000 0.985 36 L HN 0.472 nan 8.230 nan 0.000 0.456 37 G N 1.210 110.107 108.800 0.161 0.000 2.142 37 G HA2 -0.258 3.725 3.960 0.038 0.000 0.225 37 G HA3 -0.258 3.725 3.960 0.038 0.000 0.225 37 G C -0.041 174.952 174.900 0.155 0.000 1.015 37 G CA -0.266 44.919 45.100 0.140 0.000 0.716 37 G HN 0.275 nan 8.290 nan 0.000 0.508 38 I N 2.293 122.983 120.570 0.199 0.000 2.330 38 I HA 0.356 4.549 4.170 0.038 0.000 0.289 38 I C -1.487 174.700 176.117 0.116 0.000 1.001 38 I CA -2.483 58.916 61.300 0.165 0.000 1.193 38 I CB 1.840 39.971 38.000 0.218 0.000 1.345 38 I HN -0.062 nan 8.210 nan 0.000 0.461 39 P HA 0.462 nan 4.420 nan 0.000 0.274 39 P C -0.172 176.993 177.300 -0.225 0.000 1.256 39 P CA -0.045 63.079 63.100 0.039 0.000 0.795 39 P CB 1.320 33.136 31.700 0.192 0.000 1.038 40 G N -0.716 107.795 108.800 -0.482 0.000 2.328 40 G HA2 0.368 4.351 3.960 0.038 0.000 0.295 40 G HA3 0.368 4.351 3.960 0.038 0.000 0.295 40 G C -3.322 171.286 174.900 -0.487 0.000 1.413 40 G CA -0.861 43.749 45.100 -0.817 0.000 0.817 40 G HN 0.403 nan 8.290 nan 0.000 0.546 41 P HA 0.256 nan 4.420 nan 0.000 0.269 41 P C 0.136 177.527 177.300 0.152 0.000 1.209 41 P CA 0.238 63.421 63.100 0.138 0.000 0.776 41 P CB 0.494 32.337 31.700 0.239 0.000 0.876 42 T N 5.215 119.858 114.554 0.147 0.000 2.799 42 T HA 0.230 4.603 4.350 0.038 0.000 0.296 42 T C -1.776 172.967 174.700 0.073 0.000 0.947 42 T CA -0.594 61.573 62.100 0.111 0.000 1.141 42 T CB -0.402 68.519 68.868 0.088 0.000 0.891 42 T HN 0.414 nan 8.240 nan 0.000 0.533 43 P HA 0.410 nan 4.420 nan 0.000 0.282 43 P C -0.678 176.526 177.300 -0.159 0.000 1.249 43 P CA -0.656 62.368 63.100 -0.126 0.000 0.806 43 P CB 0.934 32.373 31.700 -0.435 0.000 0.984 44 L N 3.054 124.210 121.223 -0.110 0.000 2.360 44 L HA 0.464 4.827 4.340 0.038 0.000 0.271 44 L C -2.115 174.767 176.870 0.020 0.000 1.057 44 L CA -2.613 52.213 54.840 -0.024 0.000 0.803 44 L CB 0.612 42.686 42.059 0.025 0.000 1.207 44 L HN 0.180 nan 8.230 nan 0.000 0.445 45 P HA 0.046 nan 4.420 nan 0.000 0.265 45 P C -0.010 177.461 177.300 0.285 0.000 1.187 45 P CA 0.274 63.458 63.100 0.140 0.000 0.766 45 P CB 0.210 31.992 31.700 0.138 0.000 0.820 46 F N -0.809 119.267 119.950 0.210 0.000 2.583 46 F HA -0.371 4.179 4.527 0.038 0.000 0.659 46 F C 1.838 177.751 175.800 0.187 0.000 0.489 46 F CA 1.443 59.557 58.000 0.191 0.000 0.707 46 F CB -1.908 37.197 39.000 0.175 0.000 1.607 46 F HN 0.246 nan 8.300 nan 0.000 0.260 47 L N -0.353 121.063 121.223 0.323 0.000 2.141 47 L HA 0.110 4.473 4.340 0.038 0.000 0.209 47 L C 2.051 179.015 176.870 0.156 0.000 1.094 47 L CA 1.169 56.124 54.840 0.193 0.000 0.763 47 L CB -1.150 40.981 42.059 0.121 0.000 0.908 47 L HN 0.727 nan 8.230 nan 0.000 0.437 48 G N 0.533 109.408 108.800 0.125 0.000 2.523 48 G HA2 -0.390 3.593 3.960 0.038 0.000 0.271 48 G HA3 -0.390 3.593 3.960 0.038 0.000 0.271 48 G C 0.247 175.172 174.900 0.042 0.000 1.146 48 G CA 0.523 45.670 45.100 0.079 0.000 0.961 48 G HN 0.408 nan 8.290 nan 0.000 0.549 49 N N 1.121 119.874 118.700 0.087 0.000 2.235 49 N HA 0.355 5.118 4.740 0.038 0.000 0.231 49 N C 1.932 177.227 175.510 -0.357 0.000 1.177 49 N CA 0.516 53.538 53.050 -0.048 0.000 0.874 49 N CB 0.259 38.809 38.487 0.104 0.000 1.097 49 N HN 0.711 nan 8.380 nan 0.000 0.518 50 I N -1.950 118.480 120.570 -0.235 0.000 2.567 50 I HA -0.140 4.053 4.170 0.038 0.000 0.257 50 I C 1.110 177.080 176.117 -0.244 0.000 1.184 50 I CA 1.229 62.350 61.300 -0.298 0.000 1.451 50 I CB -0.188 37.873 38.000 0.103 0.000 1.089 50 I HN 0.078 nan 8.210 nan 0.000 0.441 51 L N 0.914 122.037 121.223 -0.167 0.000 2.465 51 L HA -0.026 4.337 4.340 0.038 0.000 0.224 51 L C 2.215 179.040 176.870 -0.076 0.000 1.145 51 L CA 0.548 55.327 54.840 -0.102 0.000 0.834 51 L CB -0.506 41.498 42.059 -0.093 0.000 0.944 51 L HN 0.243 nan 8.230 nan 0.000 0.451 52 S N -1.485 114.074 115.700 -0.234 0.000 2.607 52 S HA -0.015 4.478 4.470 0.038 0.000 0.224 52 S C 1.417 175.823 174.600 -0.324 0.000 0.969 52 S CA 0.267 58.346 58.200 -0.201 0.000 0.927 52 S CB -0.176 62.721 63.200 -0.504 0.000 0.772 52 S HN 0.452 nan 8.310 nan 0.000 0.533 53 Y N 1.642 121.790 120.300 -0.254 0.000 2.529 53 Y HA -0.047 4.525 4.550 0.038 0.000 0.290 53 Y C 2.519 178.276 175.900 -0.237 0.000 1.177 53 Y CA 0.108 57.988 58.100 -0.365 0.000 1.305 53 Y CB -0.190 38.015 38.460 -0.425 0.000 1.047 53 Y HN 0.477 nan 8.280 nan 0.000 0.522 54 H N -0.184 118.854 119.070 -0.054 0.000 2.390 54 H HA -0.144 4.435 4.556 0.038 0.000 0.298 54 H C 1.064 176.370 175.328 -0.036 0.000 1.106 54 H CA 1.216 57.245 56.048 -0.031 0.000 1.297 54 H CB -0.290 29.462 29.762 -0.016 0.000 1.375 54 H HN 0.196 nan 8.280 nan 0.000 0.509 55 K N 1.095 121.178 120.400 -0.529 0.000 2.444 55 K HA 0.186 4.529 4.320 0.038 0.000 0.193 55 K C 0.748 177.236 176.600 -0.187 0.000 1.024 55 K CA 0.660 56.746 56.287 -0.336 0.000 1.077 55 K CB 0.259 32.533 32.500 -0.378 0.000 0.833 55 K HN 0.627 nan 8.250 nan 0.000 0.517 56 G N 0.716 109.396 108.800 -0.200 0.000 2.690 56 G HA2 -0.237 3.745 3.960 0.038 0.000 0.686 56 G HA3 -0.237 3.745 3.960 0.038 0.000 0.686 56 G C 0.344 175.153 174.900 -0.151 0.000 1.277 56 G CA -0.678 44.277 45.100 -0.240 0.000 0.799 56 G HN 0.066 nan 8.290 nan 0.000 0.613 57 F N 0.296 120.201 119.950 -0.075 0.000 2.095 57 F HA -0.181 4.370 4.527 0.040 0.000 0.298 57 F C 3.233 179.031 175.800 -0.003 0.000 1.104 57 F CA 2.178 60.165 58.000 -0.021 0.000 1.232 57 F CB -0.457 38.461 39.000 -0.136 0.000 0.987 57 F HN 0.579 nan 8.300 nan 0.000 0.475 58 C N -0.664 118.617 119.300 -0.032 0.000 2.453 58 C HA -0.192 4.291 4.460 0.038 0.000 0.277 58 C C 2.717 177.606 174.990 -0.169 0.000 1.262 58 C CA 0.587 59.392 59.018 -0.353 0.000 1.718 58 C CB -0.907 26.100 27.740 -1.221 0.000 2.031 58 C HN 0.458 nan 8.230 nan 0.000 0.480 59 M N 0.229 119.766 119.600 -0.105 0.000 2.117 59 M HA -0.063 4.440 4.480 0.038 0.000 0.262 59 M C 1.827 178.156 176.300 0.048 0.000 1.065 59 M CA 1.526 56.816 55.300 -0.017 0.000 1.114 59 M CB -0.930 31.647 32.600 -0.038 0.000 1.361 59 M HN 0.467 nan 8.290 nan 0.000 0.408 60 F N 0.264 120.181 119.950 -0.056 0.000 2.171 60 F HA -0.258 4.292 4.527 0.039 0.000 0.300 60 F C 1.647 177.424 175.800 -0.038 0.000 1.090 60 F CA 1.549 59.521 58.000 -0.047 0.000 1.293 60 F CB -0.149 38.861 39.000 0.016 0.000 1.013 60 F HN 0.149 nan 8.300 nan 0.000 0.486 61 D N 0.054 120.419 120.400 -0.059 0.000 2.144 61 D HA -0.156 4.507 4.640 0.038 0.000 0.200 61 D C 2.358 178.627 176.300 -0.052 0.000 0.978 61 D CA 1.075 55.049 54.000 -0.044 0.000 0.833 61 D CB -0.201 40.684 40.800 0.143 0.000 0.961 61 D HN 0.281 nan 8.370 nan 0.000 0.470 62 M N 0.513 120.113 119.600 0.001 0.000 2.132 62 M HA -0.092 4.411 4.480 0.038 0.000 0.263 62 M C 1.927 178.176 176.300 -0.086 0.000 1.065 62 M CA 1.268 56.588 55.300 0.033 0.000 1.122 62 M CB -0.680 31.971 32.600 0.085 0.000 1.365 62 M HN 0.094 nan 8.290 nan 0.000 0.411 63 E N -0.649 119.459 120.200 -0.154 0.000 2.107 63 E HA -0.147 4.226 4.350 0.038 0.000 0.191 63 E C 2.206 178.586 176.600 -0.367 0.000 0.982 63 E CA 1.094 57.370 56.400 -0.207 0.000 0.809 63 E CB -0.072 29.546 29.700 -0.136 0.000 0.756 63 E HN 0.468 nan 8.360 nan 0.000 0.459 64 C N 0.353 119.313 119.300 -0.567 0.000 2.432 64 C HA -0.121 4.362 4.460 0.038 0.000 0.277 64 C C 2.637 176.968 174.990 -1.097 0.000 1.249 64 C CA 0.999 59.496 59.018 -0.868 0.000 1.725 64 C CB -0.984 25.912 27.740 -1.406 0.000 2.028 64 C HN 0.525 nan 8.230 nan 0.000 0.477 65 H N 1.403 119.760 119.070 -1.189 0.000 2.352 65 H HA -0.151 4.428 4.556 0.039 0.000 0.299 65 H C 2.120 177.246 175.328 -0.337 0.000 1.097 65 H CA 2.336 57.957 56.048 -0.711 0.000 1.311 65 H CB -0.202 29.461 29.762 -0.164 0.000 1.377 65 H HN 0.328 nan 8.280 nan 0.000 0.504 66 K N 0.547 120.725 120.400 -0.369 0.000 2.057 66 K HA -0.078 4.265 4.320 0.038 0.000 0.206 66 K C 2.300 178.690 176.600 -0.350 0.000 1.050 66 K CA 1.637 57.723 56.287 -0.336 0.000 0.935 66 K CB -0.092 32.272 32.500 -0.226 0.000 0.715 66 K HN 0.269 nan 8.250 nan 0.000 0.439 67 K N -1.568 118.564 120.400 -0.446 0.000 2.211 67 K HA -0.038 4.305 4.320 0.038 0.000 0.201 67 K C 0.967 177.177 176.600 -0.650 0.000 1.052 67 K CA 0.916 56.849 56.287 -0.591 0.000 0.973 67 K CB 0.155 32.164 32.500 -0.819 0.000 0.766 67 K HN 0.159 nan 8.250 nan 0.000 0.466 68 Y N -0.582 119.543 120.300 -0.292 0.000 2.430 68 Y HA 0.257 4.830 4.550 0.038 0.000 0.248 68 Y C 1.139 177.019 175.900 -0.033 0.000 1.108 68 Y CA 0.222 58.225 58.100 -0.162 0.000 1.264 68 Y CB 1.025 39.367 38.460 -0.198 0.000 1.172 68 Y HN 0.276 nan 8.280 nan 0.000 0.520 69 G N 0.919 109.736 108.800 0.028 0.000 2.498 69 G HA2 -0.361 3.622 3.960 0.038 0.000 0.251 69 G HA3 -0.361 3.622 3.960 0.038 0.000 0.251 69 G C 0.980 176.098 174.900 0.362 0.000 1.170 69 G CA 0.276 45.431 45.100 0.091 0.000 0.944 69 G HN 0.243 nan 8.290 nan 0.000 0.567 70 K N -0.747 119.828 120.400 0.291 0.000 2.211 70 K HA 0.294 4.637 4.320 0.038 0.000 0.204 70 K C 0.671 177.450 176.600 0.299 0.000 1.047 70 K CA 1.464 57.932 56.287 0.302 0.000 0.935 70 K CB 0.054 32.660 32.500 0.176 0.000 0.728 70 K HN 0.502 nan 8.250 nan 0.000 0.452 71 V N 0.030 120.147 119.914 0.337 0.000 2.950 71 V HA 0.348 4.491 4.120 0.038 0.000 0.295 71 V C -2.075 174.176 176.094 0.262 0.000 1.297 71 V CA -0.936 61.452 62.300 0.146 0.000 0.962 71 V CB 1.538 33.387 31.823 0.043 0.000 1.081 71 V HN 0.442 nan 8.190 nan 0.000 0.432 72 W N 3.587 124.818 121.300 -0.114 0.000 3.137 72 W HA 0.883 5.568 4.660 0.042 0.000 0.324 72 W C -0.507 175.732 176.519 -0.468 0.000 1.253 72 W CA -0.699 56.489 57.345 -0.263 0.000 1.183 72 W CB 1.306 30.624 29.460 -0.236 0.000 1.424 72 W HN 0.880 nan 8.180 nan 0.000 0.566 73 G N 1.556 109.953 108.800 -0.671 0.000 2.495 73 G HA2 0.811 4.794 3.960 0.038 0.000 0.318 73 G HA3 0.811 4.794 3.960 0.038 0.000 0.318 73 G C -1.814 172.746 174.900 -0.566 0.000 1.257 73 G CA -0.991 43.213 45.100 -1.494 0.000 0.962 73 G HN 1.051 nan 8.290 nan 0.000 0.483 74 F N -0.466 119.201 119.950 -0.472 0.000 2.692 74 F HA 0.783 5.333 4.527 0.037 0.000 0.320 74 F C -1.897 173.826 175.800 -0.129 0.000 1.123 74 F CA -2.026 55.913 58.000 -0.102 0.000 0.961 74 F CB 1.637 40.768 39.000 0.219 0.000 1.383 74 F HN 0.356 nan 8.300 nan 0.000 0.483 75 Y N 0.429 120.892 120.300 0.272 0.000 2.338 75 Y HA 0.336 4.910 4.550 0.040 0.000 0.328 75 Y C -0.858 175.171 175.900 0.216 0.000 0.965 75 Y CA -0.969 57.237 58.100 0.176 0.000 1.208 75 Y CB 1.166 39.730 38.460 0.174 0.000 1.132 75 Y HN 0.473 nan 8.280 nan 0.000 0.469 76 D N 3.592 124.169 120.400 0.296 0.000 2.453 76 D HA 0.333 4.996 4.640 0.038 0.000 0.223 76 D C 0.987 177.450 176.300 0.273 0.000 1.183 76 D CA 1.080 55.279 54.000 0.332 0.000 0.933 76 D CB 0.719 41.714 40.800 0.326 0.000 1.038 76 D HN 0.915 nan 8.370 nan 0.000 0.513 77 G N 3.516 112.479 108.800 0.271 0.000 2.687 77 G HA2 -0.402 3.581 3.960 0.038 0.000 0.303 77 G HA3 -0.402 3.581 3.960 0.038 0.000 0.303 77 G C 0.852 175.945 174.900 0.320 0.000 1.209 77 G CA 0.500 45.751 45.100 0.250 0.000 0.968 77 G HN 0.482 nan 8.290 nan 0.000 0.549 78 Q N -0.044 119.909 119.800 0.256 0.000 2.246 78 Q HA 0.406 4.769 4.340 0.038 0.000 0.222 78 Q C 0.965 177.104 176.000 0.232 0.000 0.851 78 Q CA 0.898 56.822 55.803 0.201 0.000 0.945 78 Q CB 0.459 29.264 28.738 0.110 0.000 1.122 78 Q HN 0.602 nan 8.270 nan 0.000 0.508 79 Q N 2.141 122.077 119.800 0.226 0.000 2.314 79 Q HA 0.250 4.613 4.340 0.038 0.000 0.257 79 Q C -2.410 173.686 176.000 0.159 0.000 0.975 79 Q CA -2.634 53.262 55.803 0.156 0.000 0.933 79 Q CB 1.035 29.830 28.738 0.095 0.000 1.195 79 Q HN 0.014 nan 8.270 nan 0.000 0.426 80 P HA 0.105 nan 4.420 nan 0.000 0.282 80 P C -1.094 176.139 177.300 -0.112 0.000 1.262 80 P CA -0.210 62.836 63.100 -0.089 0.000 0.773 80 P CB 1.100 32.656 31.700 -0.241 0.000 0.879 81 V N 5.079 124.812 119.914 -0.301 0.000 2.448 81 V HA 0.320 4.463 4.120 0.038 0.000 0.295 81 V C 0.128 175.936 176.094 -0.477 0.000 1.025 81 V CA -0.769 61.257 62.300 -0.457 0.000 0.859 81 V CB 1.645 32.951 31.823 -0.862 0.000 0.988 81 V HN 0.404 nan 8.190 nan 0.000 0.431 82 L N 5.081 126.142 121.223 -0.271 0.000 2.276 82 L HA 0.864 5.227 4.340 0.038 0.000 0.286 82 L C 0.389 176.999 176.870 -0.433 0.000 1.024 82 L CA -0.042 54.581 54.840 -0.362 0.000 0.826 82 L CB 0.948 42.949 42.059 -0.097 0.000 1.211 82 L HN 0.756 nan 8.230 nan 0.000 0.422 83 A N 6.702 129.105 122.820 -0.694 0.000 2.366 83 A HA 0.652 4.995 4.320 0.038 0.000 0.272 83 A C -0.229 176.923 177.584 -0.719 0.000 1.135 83 A CA -0.454 51.077 52.037 -0.844 0.000 0.804 83 A CB -0.023 18.020 19.000 -1.596 0.000 1.064 83 A HN 0.848 nan 8.150 nan 0.000 0.499 84 I N -0.669 119.619 120.570 -0.470 0.000 2.646 84 I HA 0.698 4.891 4.170 0.038 0.000 0.299 84 I C 0.155 176.147 176.117 -0.209 0.000 1.036 84 I CA -0.561 60.563 61.300 -0.292 0.000 1.074 84 I CB 2.364 40.225 38.000 -0.232 0.000 1.258 84 I HN 0.378 nan 8.210 nan 0.000 0.430 85 T N 1.079 115.581 114.554 -0.087 0.000 2.954 85 T HA 0.091 4.464 4.350 0.038 0.000 0.252 85 T C -0.026 174.702 174.700 0.045 0.000 0.983 85 T CA 0.253 62.352 62.100 -0.002 0.000 0.941 85 T CB -0.040 68.917 68.868 0.149 0.000 1.141 85 T HN 0.827 nan 8.240 nan 0.000 0.500 86 D N 2.454 122.870 120.400 0.026 0.000 2.325 86 D HA 0.198 4.861 4.640 0.038 0.000 0.251 86 D C -1.308 174.988 176.300 -0.006 0.000 1.196 86 D CA -2.213 51.813 54.000 0.042 0.000 0.866 86 D CB 1.590 42.408 40.800 0.030 0.000 1.101 86 D HN 0.019 nan 8.370 nan 0.000 0.476 87 P HA -0.187 nan 4.420 nan 0.000 0.217 87 P C 0.438 177.663 177.300 -0.126 0.000 1.148 87 P CA 1.104 64.195 63.100 -0.015 0.000 0.834 87 P CB 0.359 32.085 31.700 0.043 0.000 0.783 88 D N -1.376 118.964 120.400 -0.099 0.000 2.194 88 D HA -0.028 4.635 4.640 0.038 0.000 0.204 88 D C 2.006 178.210 176.300 -0.161 0.000 0.964 88 D CA 0.667 54.579 54.000 -0.147 0.000 0.846 88 D CB -0.559 40.196 40.800 -0.075 0.000 0.962 88 D HN 0.164 nan 8.370 nan 0.000 0.490 89 M N 0.287 119.815 119.600 -0.120 0.000 2.132 89 M HA -0.099 4.403 4.480 0.038 0.000 0.263 89 M C 1.923 178.104 176.300 -0.198 0.000 1.065 89 M CA 1.217 56.438 55.300 -0.132 0.000 1.122 89 M CB 0.068 32.607 32.600 -0.102 0.000 1.365 89 M HN -0.099 nan 8.290 nan 0.000 0.411 90 I N 0.041 120.494 120.570 -0.195 0.000 2.179 90 I HA -0.339 3.854 4.170 0.038 0.000 0.242 90 I C 2.456 178.415 176.117 -0.264 0.000 1.088 90 I CA 1.556 62.736 61.300 -0.199 0.000 1.357 90 I CB -0.628 37.314 38.000 -0.096 0.000 1.051 90 I HN 0.361 nan 8.210 nan 0.000 0.409 91 K N 0.598 120.710 120.400 -0.480 0.000 2.147 91 K HA -0.168 4.175 4.320 0.038 0.000 0.205 91 K C 2.020 178.448 176.600 -0.287 0.000 1.049 91 K CA 1.781 57.669 56.287 -0.664 0.000 0.936 91 K CB -0.037 31.819 32.500 -1.072 0.000 0.722 91 K HN 0.236 nan 8.250 nan 0.000 0.446 92 T N 0.641 115.062 114.554 -0.222 0.000 2.737 92 T HA -0.124 4.249 4.350 0.038 0.000 0.265 92 T C 1.790 176.446 174.700 -0.073 0.000 1.038 92 T CA 1.561 63.598 62.100 -0.105 0.000 1.144 92 T CB -0.150 68.678 68.868 -0.067 0.000 0.866 92 T HN 0.319 nan 8.240 nan 0.000 0.434 93 V N -0.198 119.567 119.914 -0.248 0.000 2.719 93 V HA 0.147 4.290 4.120 0.038 0.000 0.252 93 V C 2.007 177.987 176.094 -0.191 0.000 1.065 93 V CA 1.195 63.220 62.300 -0.458 0.000 1.086 93 V CB -0.767 30.346 31.823 -1.184 0.000 0.700 93 V HN 0.434 nan 8.190 nan 0.000 0.467 94 L N -0.564 120.577 121.223 -0.137 0.000 2.168 94 L HA 0.116 4.479 4.340 0.038 0.000 0.203 94 L C 2.343 179.208 176.870 -0.009 0.000 1.078 94 L CA 1.014 55.821 54.840 -0.054 0.000 0.780 94 L CB 0.017 42.081 42.059 0.008 0.000 0.939 94 L HN 0.276 nan 8.230 nan 0.000 0.451 95 V N -1.238 118.679 119.914 0.004 0.000 2.911 95 V HA 0.011 4.154 4.120 0.038 0.000 0.237 95 V C 2.092 178.199 176.094 0.021 0.000 1.156 95 V CA 0.543 62.863 62.300 0.033 0.000 1.180 95 V CB 0.081 31.962 31.823 0.098 0.000 0.932 95 V HN 0.209 nan 8.190 nan 0.000 0.483 96 K N 0.489 120.900 120.400 0.018 0.000 2.005 96 K HA 0.007 4.350 4.320 0.038 0.000 0.206 96 K C 1.186 177.830 176.600 0.075 0.000 1.044 96 K CA 1.006 57.319 56.287 0.043 0.000 0.942 96 K CB -0.004 32.511 32.500 0.026 0.000 0.727 96 K HN 0.269 nan 8.250 nan 0.000 0.439 97 E N 0.800 121.068 120.200 0.115 0.000 2.411 97 E HA 0.010 4.383 4.350 0.038 0.000 0.204 97 E C 0.962 177.658 176.600 0.160 0.000 1.059 97 E CA -0.072 56.419 56.400 0.153 0.000 1.112 97 E CB -0.174 29.660 29.700 0.223 0.000 1.168 97 E HN 0.249 nan 8.360 nan 0.000 0.445 98 C N -0.471 118.860 119.300 0.053 0.000 2.496 98 C HA -0.161 4.322 4.460 0.038 0.000 0.281 98 C C 2.230 177.179 174.990 -0.068 0.000 1.250 98 C CA 0.857 59.839 59.018 -0.061 0.000 1.717 98 C CB -0.879 26.707 27.740 -0.256 0.000 2.082 98 C HN 0.552 nan 8.230 nan 0.000 0.472 99 Y N 1.937 122.295 120.300 0.097 0.000 2.242 99 Y HA -0.153 4.415 4.550 0.030 0.000 0.291 99 Y C 3.033 178.954 175.900 0.034 0.000 1.137 99 Y CA 1.671 59.828 58.100 0.095 0.000 1.181 99 Y CB -0.309 38.224 38.460 0.121 0.000 0.989 99 Y HN 0.559 nan 8.280 nan 0.000 0.527 100 S N -1.127 114.668 115.700 0.158 0.000 2.377 100 S HA -0.113 4.380 4.470 0.038 0.000 0.223 100 S C 1.807 176.363 174.600 -0.073 0.000 1.030 100 S CA 1.117 59.346 58.200 0.049 0.000 0.970 100 S CB -0.323 62.899 63.200 0.037 0.000 0.830 100 S HN 0.322 nan 8.310 nan 0.000 0.473 101 V N -1.267 118.534 119.914 -0.188 0.000 3.229 101 V HA 0.495 4.638 4.120 0.038 0.000 0.239 101 V C -0.725 175.002 176.094 -0.611 0.000 1.390 101 V CA -0.299 61.712 62.300 -0.481 0.000 1.231 101 V CB 0.263 31.650 31.823 -0.727 0.000 1.025 101 V HN 0.405 nan 8.190 nan 0.000 0.461 102 F N 1.796 121.708 119.950 -0.064 0.000 2.434 102 F HA 0.498 5.040 4.527 0.025 0.000 0.316 102 F C 1.272 176.982 175.800 -0.150 0.000 1.222 102 F CA 0.048 57.986 58.000 -0.102 0.000 1.207 102 F CB 0.901 39.836 39.000 -0.107 0.000 1.466 102 F HN -0.027 nan 8.300 nan 0.000 0.545 103 T N -1.475 113.050 114.554 -0.049 0.000 3.033 103 T HA 0.095 4.468 4.350 0.038 0.000 0.248 103 T C 0.749 175.262 174.700 -0.311 0.000 1.040 103 T CA 0.413 62.408 62.100 -0.176 0.000 1.133 103 T CB 0.054 68.883 68.868 -0.065 0.000 0.895 103 T HN 0.159 nan 8.240 nan 0.000 0.465 104 N N 1.268 119.861 118.700 -0.178 0.000 2.362 104 N HA 0.481 5.244 4.740 0.038 0.000 0.299 104 N C -0.349 175.090 175.510 -0.118 0.000 1.170 104 N CA -0.627 52.313 53.050 -0.183 0.000 0.825 104 N CB 1.868 40.298 38.487 -0.095 0.000 1.299 104 N HN 0.142 nan 8.380 nan 0.000 0.502 105 R N 0.079 120.512 120.500 -0.111 0.000 2.531 105 R HA 0.328 4.691 4.340 0.038 0.000 0.260 105 R C 0.565 176.852 176.300 -0.022 0.000 1.144 105 R CA -0.717 55.343 56.100 -0.067 0.000 1.171 105 R CB 0.870 31.128 30.300 -0.069 0.000 1.199 105 R HN 0.344 nan 8.270 nan 0.000 0.594 106 R N 2.086 122.582 120.500 -0.006 0.000 2.583 106 R HA 0.012 4.375 4.340 0.038 0.000 0.274 106 R C -1.922 174.422 176.300 0.073 0.000 0.998 106 R CA -0.891 55.225 56.100 0.028 0.000 1.081 106 R CB 0.172 30.491 30.300 0.032 0.000 0.940 106 R HN 0.385 nan 8.270 nan 0.000 0.413 107 P HA 0.021 nan 4.420 nan 0.000 0.271 107 P C -1.140 176.258 177.300 0.164 0.000 1.216 107 P CA 0.242 63.402 63.100 0.099 0.000 0.771 107 P CB 0.404 32.138 31.700 0.057 0.000 0.864 108 F N 1.792 121.749 119.950 0.012 0.000 2.556 108 F HA 0.693 5.243 4.527 0.038 0.000 0.314 108 F C -0.119 175.683 175.800 0.003 0.000 1.106 108 F CA 0.213 58.219 58.000 0.010 0.000 0.911 108 F CB 2.259 41.275 39.000 0.027 0.000 1.190 108 F HN 0.647 nan 8.300 nan 0.000 0.448 109 G N 4.174 112.530 108.800 -0.740 0.000 2.342 109 G HA2 0.401 4.384 3.960 0.038 0.000 0.297 109 G HA3 0.401 4.384 3.960 0.038 0.000 0.297 109 G C -3.448 171.094 174.900 -0.596 0.000 1.313 109 G CA -0.987 43.808 45.100 -0.508 0.000 0.830 109 G HN 0.394 nan 8.290 nan 0.000 0.506 110 P HA 0.389 nan 4.420 nan 0.000 0.275 110 P C 0.016 177.251 177.300 -0.108 0.000 1.228 110 P CA -0.123 62.884 63.100 -0.155 0.000 0.786 110 P CB 2.379 34.044 31.700 -0.059 0.000 0.927 111 V N 1.136 121.052 119.914 0.003 0.000 3.380 111 V HA 0.261 4.404 4.120 0.038 0.000 0.277 111 V C 1.180 177.338 176.094 0.108 0.000 1.590 111 V CA 1.129 63.494 62.300 0.109 0.000 1.019 111 V CB -0.151 31.800 31.823 0.212 0.000 0.828 111 V HN 0.968 nan 8.190 nan 0.000 0.427 112 G N 1.858 110.717 108.800 0.099 0.000 2.591 112 G HA2 -0.441 3.542 3.960 0.038 0.000 0.298 112 G HA3 -0.441 3.542 3.960 0.038 0.000 0.298 112 G C 0.596 175.581 174.900 0.141 0.000 1.195 112 G CA 1.170 46.358 45.100 0.146 0.000 0.989 112 G HN 1.055 nan 8.290 nan 0.000 0.551 113 F N -0.679 119.341 119.950 0.115 0.000 2.407 113 F HA 0.360 4.910 4.527 0.039 0.000 0.299 113 F C 2.515 178.381 175.800 0.110 0.000 1.097 113 F CA 1.728 59.784 58.000 0.094 0.000 1.422 113 F CB -0.310 38.730 39.000 0.067 0.000 1.067 113 F HN 0.152 nan 8.300 nan 0.000 0.539 114 M N 2.306 121.510 119.600 -0.659 0.000 2.700 114 M HA -0.067 4.436 4.480 0.038 0.000 0.249 114 M C 1.960 178.230 176.300 -0.051 0.000 1.082 114 M CA 0.823 55.856 55.300 -0.444 0.000 1.077 114 M CB -1.058 31.283 32.600 -0.432 0.000 1.477 114 M HN 0.506 nan 8.290 nan 0.000 0.529 115 K N -1.103 119.313 120.400 0.028 0.000 2.280 115 K HA -0.041 4.302 4.320 0.038 0.000 0.202 115 K C 1.536 178.198 176.600 0.103 0.000 1.047 115 K CA 1.400 57.743 56.287 0.093 0.000 0.942 115 K CB -0.381 32.177 32.500 0.097 0.000 0.739 115 K HN 0.059 nan 8.250 nan 0.000 0.457 116 S N 1.059 116.819 115.700 0.100 0.000 2.515 116 S HA 0.108 4.601 4.470 0.038 0.000 0.231 116 S C 0.821 175.497 174.600 0.126 0.000 0.987 116 S CA 0.296 58.566 58.200 0.115 0.000 0.936 116 S CB -0.125 63.148 63.200 0.121 0.000 0.766 116 S HN 0.525 nan 8.310 nan 0.000 0.528 117 A N 1.570 124.459 122.820 0.115 0.000 2.546 117 A HA 0.213 4.556 4.320 0.038 0.000 0.243 117 A C 1.264 178.959 177.584 0.184 0.000 1.063 117 A CA -0.093 52.026 52.037 0.137 0.000 0.757 117 A CB -0.314 18.744 19.000 0.096 0.000 0.991 117 A HN 0.474 nan 8.150 nan 0.000 0.503 118 I N 2.668 123.374 120.570 0.226 0.000 2.335 118 I HA -0.271 3.922 4.170 0.038 0.000 0.251 118 I C 2.270 178.594 176.117 0.346 0.000 1.129 118 I CA 2.200 63.681 61.300 0.300 0.000 1.402 118 I CB 0.037 38.213 38.000 0.294 0.000 1.069 118 I HN 0.828 nan 8.210 nan 0.000 0.424 119 S N 0.239 116.087 115.700 0.246 0.000 2.453 119 S HA -0.073 4.420 4.470 0.038 0.000 0.231 119 S C 1.820 176.483 174.600 0.105 0.000 1.005 119 S CA 0.582 58.885 58.200 0.172 0.000 0.949 119 S CB -0.124 63.148 63.200 0.120 0.000 0.774 119 S HN 0.533 nan 8.310 nan 0.000 0.510 120 I N 1.079 121.722 120.570 0.122 0.000 4.082 120 I HA 0.431 4.624 4.170 0.038 0.000 0.337 120 I C 0.894 177.086 176.117 0.125 0.000 1.352 120 I CA -0.141 61.219 61.300 0.100 0.000 1.097 120 I CB -0.290 37.777 38.000 0.112 0.000 1.048 120 I HN 0.302 nan 8.210 nan 0.000 0.393 121 A N 1.057 123.985 122.820 0.180 0.000 2.313 121 A HA 0.431 4.774 4.320 0.038 0.000 0.261 121 A C -0.075 177.631 177.584 0.203 0.000 1.090 121 A CA -0.145 52.022 52.037 0.217 0.000 0.807 121 A CB 0.490 19.665 19.000 0.292 0.000 1.055 121 A HN 0.414 nan 8.150 nan 0.000 0.492 122 E N 0.256 120.583 120.200 0.210 0.000 2.288 122 E HA 0.387 4.760 4.350 0.038 0.000 0.268 122 E C -0.759 175.984 176.600 0.239 0.000 0.885 122 E CA -0.830 55.666 56.400 0.160 0.000 0.767 122 E CB 1.414 31.172 29.700 0.095 0.000 1.220 122 E HN 0.740 nan 8.360 nan 0.000 0.427 123 D N 1.580 122.116 120.400 0.226 0.000 3.417 123 D HA -0.291 4.372 4.640 0.038 0.000 0.163 123 D C 1.062 177.562 176.300 0.333 0.000 1.070 123 D CA 1.567 55.721 54.000 0.256 0.000 1.047 123 D CB -0.406 40.482 40.800 0.146 0.000 0.514 123 D HN 0.583 nan 8.370 nan 0.000 0.532 124 E N 0.722 121.042 120.200 0.201 0.000 2.118 124 E HA -0.159 4.214 4.350 0.038 0.000 0.195 124 E C 1.875 178.550 176.600 0.124 0.000 0.992 124 E CA 1.920 58.403 56.400 0.139 0.000 0.804 124 E CB -0.147 29.600 29.700 0.077 0.000 0.741 124 E HN 0.496 nan 8.360 nan 0.000 0.458 125 E N -0.205 120.082 120.200 0.146 0.000 2.106 125 E HA -0.191 4.182 4.350 0.038 0.000 0.192 125 E C 1.713 178.411 176.600 0.164 0.000 0.984 125 E CA 1.286 57.763 56.400 0.128 0.000 0.806 125 E CB -0.385 29.391 29.700 0.127 0.000 0.750 125 E HN 0.466 nan 8.360 nan 0.000 0.458 126 W N 1.271 122.617 121.300 0.076 0.000 2.379 126 W HA -0.117 4.561 4.660 0.031 0.000 0.307 126 W C 2.015 178.595 176.519 0.103 0.000 1.200 126 W CA 1.850 59.250 57.345 0.093 0.000 1.297 126 W CB -0.418 29.102 29.460 0.102 0.000 1.140 126 W HN -0.003 nan 8.180 nan 0.000 0.507 127 K N 1.233 121.586 120.400 -0.079 0.000 2.044 127 K HA -0.253 4.090 4.320 0.038 0.000 0.210 127 K C 2.256 178.634 176.600 -0.369 0.000 1.049 127 K CA 2.698 58.750 56.287 -0.392 0.000 0.927 127 K CB -0.679 31.817 32.500 -0.006 0.000 0.713 127 K HN 0.497 nan 8.250 nan 0.000 0.443 128 R N -0.186 120.202 120.500 -0.186 0.000 2.093 128 R HA 0.049 4.412 4.340 0.038 0.000 0.224 128 R C 2.481 178.689 176.300 -0.154 0.000 1.101 128 R CA 1.071 57.085 56.100 -0.143 0.000 0.979 128 R CB -0.766 29.489 30.300 -0.075 0.000 0.877 128 R HN 0.097 nan 8.270 nan 0.000 0.441 129 L N 0.999 122.133 121.223 -0.150 0.000 2.043 129 L HA -0.181 4.182 4.340 0.038 0.000 0.212 129 L C 2.946 179.718 176.870 -0.163 0.000 1.075 129 L CA 1.596 56.367 54.840 -0.115 0.000 0.752 129 L CB -0.344 41.693 42.059 -0.038 0.000 0.891 129 L HN 0.186 nan 8.230 nan 0.000 0.432 130 R N 0.415 120.698 120.500 -0.362 0.000 2.073 130 R HA -0.166 4.196 4.340 0.038 0.000 0.234 130 R C 2.491 178.685 176.300 -0.176 0.000 1.134 130 R CA 2.055 57.955 56.100 -0.334 0.000 0.952 130 R CB -0.574 29.279 30.300 -0.745 0.000 0.850 130 R HN 0.493 nan 8.270 nan 0.000 0.433 131 S N -0.358 115.226 115.700 -0.193 0.000 2.453 131 S HA -0.082 4.411 4.470 0.038 0.000 0.231 131 S C 1.846 176.395 174.600 -0.085 0.000 1.005 131 S CA 0.855 58.988 58.200 -0.111 0.000 0.949 131 S CB -0.312 62.824 63.200 -0.108 0.000 0.774 131 S HN 0.341 nan 8.310 nan 0.000 0.510 132 L N 0.806 121.971 121.223 -0.098 0.000 2.095 132 L HA 0.342 4.705 4.340 0.038 0.000 0.204 132 L C 2.016 178.828 176.870 -0.096 0.000 1.080 132 L CA 1.450 56.232 54.840 -0.096 0.000 0.759 132 L CB -0.325 41.672 42.059 -0.104 0.000 0.914 132 L HN 0.314 nan 8.230 nan 0.000 0.439 133 L N -1.722 119.464 121.223 -0.062 0.000 2.416 133 L HA 0.058 4.421 4.340 0.038 0.000 0.216 133 L C 2.337 179.224 176.870 0.027 0.000 1.098 133 L CA 0.332 55.160 54.840 -0.020 0.000 0.840 133 L CB -0.396 41.706 42.059 0.072 0.000 0.981 133 L HN 0.110 nan 8.230 nan 0.000 0.462 134 S N 0.768 116.490 115.700 0.036 0.000 2.370 134 S HA -0.096 4.397 4.470 0.038 0.000 0.226 134 S C -0.515 174.109 174.600 0.041 0.000 1.033 134 S CA 1.426 59.673 58.200 0.078 0.000 1.011 134 S CB -0.956 62.281 63.200 0.061 0.000 0.852 134 S HN 0.292 nan 8.310 nan 0.000 0.457 135 P HA -0.028 nan 4.420 nan 0.000 0.226 135 P C 1.108 178.359 177.300 -0.082 0.000 1.146 135 P CA 1.001 64.081 63.100 -0.033 0.000 0.773 135 P CB -0.347 31.322 31.700 -0.052 0.000 0.772 136 T N -1.331 113.120 114.554 -0.173 0.000 2.720 136 T HA -0.128 4.245 4.350 0.038 0.000 0.268 136 T C 0.825 175.257 174.700 -0.447 0.000 1.037 136 T CA 1.305 63.165 62.100 -0.400 0.000 1.144 136 T CB -0.708 67.758 68.868 -0.669 0.000 0.864 136 T HN 0.208 nan 8.240 nan 0.000 0.444 137 F N 1.624 121.611 119.950 0.061 0.000 2.772 137 F HA 0.233 4.782 4.527 0.037 0.000 0.302 137 F C 1.165 176.997 175.800 0.053 0.000 1.136 137 F CA -0.993 57.040 58.000 0.055 0.000 1.322 137 F CB -0.096 38.947 39.000 0.071 0.000 0.967 137 F HN 0.004 nan 8.300 nan 0.000 0.513 138 T N -1.032 113.611 114.554 0.149 0.000 2.932 138 T HA 0.118 4.491 4.350 0.038 0.000 0.312 138 T C 0.625 175.374 174.700 0.081 0.000 1.071 138 T CA -0.731 61.427 62.100 0.097 0.000 1.128 138 T CB 1.142 70.034 68.868 0.041 0.000 0.984 138 T HN 0.265 nan 8.240 nan 0.000 0.549 139 S N 1.914 117.653 115.700 0.064 0.000 2.516 139 S HA 0.514 5.007 4.470 0.038 0.000 0.282 139 S C 1.348 175.893 174.600 -0.093 0.000 1.286 139 S CA -0.139 58.052 58.200 -0.016 0.000 1.066 139 S CB 0.064 63.294 63.200 0.049 0.000 0.884 139 S HN 1.954 nan 8.310 nan 0.000 0.491 140 G N 3.915 112.602 108.800 -0.188 0.000 3.151 140 G HA2 -0.219 3.764 3.960 0.038 0.000 0.197 140 G HA3 -0.219 3.764 3.960 0.038 0.000 0.197 140 G C 0.942 175.786 174.900 -0.093 0.000 1.682 140 G CA -0.006 45.014 45.100 -0.133 0.000 1.205 140 G HN 0.559 nan 8.290 nan 0.000 0.510 141 K N 0.938 121.314 120.400 -0.040 0.000 2.097 141 K HA 0.213 4.556 4.320 0.038 0.000 0.205 141 K C 2.583 179.207 176.600 0.039 0.000 1.050 141 K CA 1.216 57.501 56.287 -0.003 0.000 0.938 141 K CB -0.269 32.235 32.500 0.006 0.000 0.718 141 K HN 0.494 nan 8.250 nan 0.000 0.442 142 L N 1.110 122.365 121.223 0.054 0.000 2.093 142 L HA -0.150 4.213 4.340 0.038 0.000 0.208 142 L C 2.336 179.223 176.870 0.027 0.000 1.085 142 L CA 1.251 56.172 54.840 0.134 0.000 0.755 142 L CB -0.318 41.878 42.059 0.228 0.000 0.904 142 L HN 0.161 nan 8.230 nan 0.000 0.435 143 K N 0.039 120.294 120.400 -0.241 0.000 2.148 143 K HA -0.156 4.187 4.320 0.038 0.000 0.204 143 K C 1.850 178.422 176.600 -0.046 0.000 1.050 143 K CA 1.071 57.207 56.287 -0.252 0.000 0.942 143 K CB -0.063 32.191 32.500 -0.411 0.000 0.724 143 K HN 0.361 nan 8.250 nan 0.000 0.446 144 E N 0.492 120.674 120.200 -0.030 0.000 2.274 144 E HA -0.065 4.308 4.350 0.038 0.000 0.194 144 E C 1.805 178.439 176.600 0.056 0.000 0.996 144 E CA 0.723 57.127 56.400 0.007 0.000 0.840 144 E CB 0.062 29.758 29.700 -0.007 0.000 0.772 144 E HN 0.296 nan 8.360 nan 0.000 0.491 145 M N -0.112 119.548 119.600 0.099 0.000 2.419 145 M HA -0.084 4.419 4.480 0.038 0.000 0.264 145 M C 2.118 178.519 176.300 0.167 0.000 1.082 145 M CA 0.510 55.904 55.300 0.155 0.000 1.119 145 M CB 0.288 33.027 32.600 0.231 0.000 1.398 145 M HN 0.005 nan 8.290 nan 0.000 0.453 146 V N 1.026 121.032 119.914 0.153 0.000 2.287 146 V HA -0.177 3.966 4.120 0.038 0.000 0.248 146 V C -0.614 175.557 176.094 0.128 0.000 1.053 146 V CA 1.884 64.278 62.300 0.156 0.000 1.027 146 V CB -2.100 29.821 31.823 0.163 0.000 0.646 146 V HN 0.308 nan 8.190 nan 0.000 0.447 147 P HA -0.063 nan 4.420 nan 0.000 0.220 147 P C 1.678 179.027 177.300 0.083 0.000 1.148 147 P CA 1.374 64.519 63.100 0.076 0.000 0.803 147 P CB -0.043 31.687 31.700 0.050 0.000 0.782 148 I N -1.709 118.930 120.570 0.114 0.000 2.500 148 I HA -0.119 4.074 4.170 0.038 0.000 0.252 148 I C 2.196 178.450 176.117 0.227 0.000 1.142 148 I CA 0.918 62.307 61.300 0.148 0.000 1.451 148 I CB -0.389 37.717 38.000 0.177 0.000 1.093 148 I HN -0.150 nan 8.210 nan 0.000 0.430 149 I N 1.015 121.727 120.570 0.236 0.000 2.202 149 I HA -0.249 3.944 4.170 0.038 0.000 0.242 149 I C 2.877 179.153 176.117 0.264 0.000 1.091 149 I CA 1.190 62.661 61.300 0.285 0.000 1.368 149 I CB -0.487 37.656 38.000 0.239 0.000 1.058 149 I HN 0.157 nan 8.210 nan 0.000 0.410 150 A N 0.316 123.244 122.820 0.180 0.000 1.954 150 A HA -0.391 3.952 4.320 0.038 0.000 0.222 150 A C 2.300 179.940 177.584 0.094 0.000 1.199 150 A CA 2.524 54.642 52.037 0.135 0.000 0.657 150 A CB -1.012 18.042 19.000 0.091 0.000 0.823 150 A HN 0.569 nan 8.150 nan 0.000 0.463 151 Q N -1.820 117.984 119.800 0.006 0.000 2.045 151 Q HA -0.250 4.113 4.340 0.038 0.000 0.206 151 Q C 1.866 177.752 176.000 -0.190 0.000 0.991 151 Q CA 2.388 58.090 55.803 -0.167 0.000 0.851 151 Q CB -0.269 28.247 28.738 -0.370 0.000 0.911 151 Q HN 0.808 nan 8.270 nan 0.000 0.418 152 Y N -0.983 119.394 120.300 0.128 0.000 2.457 152 Y HA 0.086 4.659 4.550 0.038 0.000 0.292 152 Y C 2.253 178.337 175.900 0.308 0.000 1.125 152 Y CA 0.781 58.983 58.100 0.169 0.000 1.254 152 Y CB -0.520 37.982 38.460 0.070 0.000 1.012 152 Y HN 0.247 nan 8.280 nan 0.000 0.555 153 G N 0.087 109.145 108.800 0.431 0.000 2.422 153 G HA2 -0.241 3.742 3.960 0.038 0.000 0.218 153 G HA3 -0.241 3.742 3.960 0.038 0.000 0.218 153 G C 1.299 176.323 174.900 0.206 0.000 1.146 153 G CA 1.264 46.565 45.100 0.334 0.000 0.769 153 G HN 0.267 nan 8.290 nan 0.000 0.547 154 D N 0.483 120.973 120.400 0.149 0.000 2.092 154 D HA -0.120 4.543 4.640 0.038 0.000 0.193 154 D C 2.793 179.161 176.300 0.114 0.000 0.994 154 D CA 1.187 55.248 54.000 0.101 0.000 0.828 154 D CB -0.628 40.201 40.800 0.050 0.000 0.963 154 D HN 0.227 nan 8.370 nan 0.000 0.450 155 V N 1.233 121.225 119.914 0.130 0.000 2.358 155 V HA -0.203 3.940 4.120 0.038 0.000 0.246 155 V C 2.520 178.696 176.094 0.137 0.000 1.047 155 V CA 0.991 63.369 62.300 0.130 0.000 1.035 155 V CB -0.558 31.358 31.823 0.155 0.000 0.658 155 V HN 0.105 nan 8.190 nan 0.000 0.452 156 L N 1.126 122.457 121.223 0.180 0.000 2.013 156 L HA -0.162 4.201 4.340 0.038 0.000 0.212 156 L C 2.538 179.458 176.870 0.083 0.000 1.073 156 L CA 2.641 57.548 54.840 0.111 0.000 0.753 156 L CB -0.633 41.475 42.059 0.081 0.000 0.890 156 L HN 0.289 nan 8.230 nan 0.000 0.432 157 V N -1.622 118.390 119.914 0.163 0.000 2.667 157 V HA -0.142 4.001 4.120 0.038 0.000 0.252 157 V C 2.579 178.833 176.094 0.266 0.000 1.065 157 V CA 1.358 63.841 62.300 0.304 0.000 1.083 157 V CB -0.567 31.443 31.823 0.312 0.000 0.692 157 V HN 0.518 nan 8.190 nan 0.000 0.468 158 R N 0.534 121.125 120.500 0.152 0.000 2.070 158 R HA -0.113 4.250 4.340 0.038 0.000 0.232 158 R C 2.365 178.708 176.300 0.070 0.000 1.138 158 R CA 1.967 58.133 56.100 0.110 0.000 0.936 158 R CB -0.696 29.650 30.300 0.077 0.000 0.839 158 R HN 0.536 nan 8.270 nan 0.000 0.429 159 N N 0.888 119.609 118.700 0.035 0.000 2.061 159 N HA -0.176 4.587 4.740 0.038 0.000 0.193 159 N C 1.710 177.165 175.510 -0.092 0.000 1.030 159 N CA 1.114 54.153 53.050 -0.018 0.000 0.856 159 N CB -0.422 38.053 38.487 -0.020 0.000 1.023 159 N HN 0.042 nan 8.380 nan 0.000 0.424 160 L N 1.334 122.459 121.223 -0.164 0.000 2.083 160 L HA -0.059 4.304 4.340 0.038 0.000 0.209 160 L C 2.390 179.004 176.870 -0.427 0.000 1.083 160 L CA 1.307 55.890 54.840 -0.428 0.000 0.752 160 L CB -0.816 40.809 42.059 -0.725 0.000 0.899 160 L HN 0.185 nan 8.230 nan 0.000 0.433 161 R N -0.731 119.753 120.500 -0.026 0.000 2.075 161 R HA -0.128 4.235 4.340 0.038 0.000 0.232 161 R C 2.406 178.736 176.300 0.050 0.000 1.126 161 R CA 1.142 57.368 56.100 0.209 0.000 0.963 161 R CB -0.057 30.434 30.300 0.318 0.000 0.858 161 R HN 0.267 nan 8.270 nan 0.000 0.435 162 R N 0.292 120.798 120.500 0.009 0.000 2.103 162 R HA -0.142 4.221 4.340 0.038 0.000 0.242 162 R C 2.134 178.405 176.300 -0.047 0.000 1.142 162 R CA 1.718 57.810 56.100 -0.012 0.000 0.960 162 R CB -0.230 30.063 30.300 -0.013 0.000 0.858 162 R HN 0.397 nan 8.270 nan 0.000 0.439 163 E N 0.358 120.500 120.200 -0.096 0.000 2.150 163 E HA -0.134 4.239 4.350 0.038 0.000 0.193 163 E C 1.989 178.511 176.600 -0.130 0.000 0.985 163 E CA 1.093 57.419 56.400 -0.124 0.000 0.814 163 E CB -0.059 29.535 29.700 -0.177 0.000 0.752 163 E HN 0.346 nan 8.360 nan 0.000 0.466 164 A N 1.810 124.545 122.820 -0.142 0.000 1.930 164 A HA -0.174 4.169 4.320 0.038 0.000 0.217 164 A C 2.013 179.574 177.584 -0.038 0.000 1.175 164 A CA 1.047 53.026 52.037 -0.096 0.000 0.627 164 A CB -0.160 18.824 19.000 -0.026 0.000 0.815 164 A HN 0.053 nan 8.150 nan 0.000 0.443 165 E N 0.156 120.346 120.200 -0.017 0.000 2.031 165 E HA -0.177 4.196 4.350 0.038 0.000 0.193 165 E C 2.307 178.895 176.600 -0.020 0.000 0.994 165 E CA 2.037 58.433 56.400 -0.008 0.000 0.800 165 E CB -1.316 28.385 29.700 0.002 0.000 0.752 165 E HN 0.793 nan 8.360 nan 0.000 0.447 166 T N -2.142 112.395 114.554 -0.029 0.000 2.929 166 T HA -0.020 4.353 4.350 0.038 0.000 0.271 166 T C 1.688 176.368 174.700 -0.034 0.000 1.085 166 T CA 1.633 63.716 62.100 -0.029 0.000 1.125 166 T CB -0.349 68.499 68.868 -0.032 0.000 0.874 166 T HN 0.370 nan 8.240 nan 0.000 0.494 167 G N 0.696 109.470 108.800 -0.045 0.000 2.184 167 G HA2 -0.104 3.879 3.960 0.038 0.000 0.264 167 G HA3 -0.104 3.879 3.960 0.038 0.000 0.264 167 G C 0.276 175.143 174.900 -0.054 0.000 0.975 167 G CA 0.656 45.727 45.100 -0.048 0.000 0.642 167 G HN 1.135 nan 8.290 nan 0.000 0.536 168 K N 0.718 121.084 120.400 -0.056 0.000 2.298 168 K HA 0.684 5.027 4.320 0.038 0.000 0.280 168 K C -1.670 174.888 176.600 -0.070 0.000 1.032 168 K CA -0.738 55.517 56.287 -0.053 0.000 0.958 168 K CB -0.196 32.276 32.500 -0.046 0.000 0.978 168 K HN 0.276 nan 8.250 nan 0.000 0.472 169 P HA 0.235 nan 4.420 nan 0.000 0.271 169 P C -0.765 176.495 177.300 -0.067 0.000 1.218 169 P CA -0.623 62.439 63.100 -0.063 0.000 0.780 169 P CB 0.991 32.668 31.700 -0.038 0.000 0.901 170 V N 2.931 122.799 119.914 -0.077 0.000 2.407 170 V HA 0.180 4.323 4.120 0.038 0.000 0.278 170 V C 0.361 176.428 176.094 -0.044 0.000 1.037 170 V CA -0.169 62.082 62.300 -0.082 0.000 0.900 170 V CB 1.149 32.896 31.823 -0.126 0.000 0.983 170 V HN 0.519 nan 8.190 nan 0.000 0.459 171 T N 6.962 121.488 114.554 -0.048 0.000 2.738 171 T HA 0.269 4.642 4.350 0.038 0.000 0.294 171 T C 1.422 176.094 174.700 -0.046 0.000 0.914 171 T CA -0.175 61.905 62.100 -0.033 0.000 1.052 171 T CB 0.358 69.210 68.868 -0.028 0.000 0.897 171 T HN 0.429 nan 8.240 nan 0.000 0.522 172 L N 2.270 123.482 121.223 -0.019 0.000 2.079 172 L HA -0.138 4.225 4.340 0.038 0.000 0.210 172 L C 2.636 179.527 176.870 0.035 0.000 1.081 172 L CA 1.141 55.976 54.840 -0.007 0.000 0.752 172 L CB -0.402 41.740 42.059 0.139 0.000 0.896 172 L HN 0.473 nan 8.230 nan 0.000 0.433 173 K N 0.397 120.808 120.400 0.019 0.000 2.113 173 K HA -0.209 4.134 4.320 0.038 0.000 0.208 173 K C 1.583 178.211 176.600 0.046 0.000 1.047 173 K CA 1.584 57.881 56.287 0.017 0.000 0.928 173 K CB -0.119 32.362 32.500 -0.032 0.000 0.716 173 K HN 0.228 nan 8.250 nan 0.000 0.446 174 D N -0.679 119.729 120.400 0.012 0.000 2.084 174 D HA -0.131 4.532 4.640 0.038 0.000 0.196 174 D C 1.877 178.187 176.300 0.016 0.000 0.985 174 D CA 1.840 55.855 54.000 0.024 0.000 0.826 174 D CB -0.295 40.501 40.800 -0.006 0.000 0.978 174 D HN 0.197 nan 8.370 nan 0.000 0.456 175 V N -1.453 118.407 119.914 -0.090 0.000 2.453 175 V HA -0.095 4.048 4.120 0.038 0.000 0.247 175 V C 2.233 178.289 176.094 -0.063 0.000 1.048 175 V CA 1.176 63.390 62.300 -0.144 0.000 1.049 175 V CB -1.227 30.393 31.823 -0.338 0.000 0.672 175 V HN 0.050 nan 8.190 nan 0.000 0.457 176 F N 2.065 122.027 119.950 0.020 0.000 2.259 176 F HA 0.179 4.730 4.527 0.039 0.000 0.298 176 F C 2.626 178.476 175.800 0.084 0.000 1.088 176 F CA 0.902 58.917 58.000 0.024 0.000 1.358 176 F CB -0.560 38.394 39.000 -0.078 0.000 1.040 176 F HN 0.290 nan 8.300 nan 0.000 0.505 177 G N 0.084 109.027 108.800 0.238 0.000 2.433 177 G HA2 -0.232 3.751 3.960 0.038 0.000 0.216 177 G HA3 -0.232 3.751 3.960 0.038 0.000 0.216 177 G C 1.879 177.000 174.900 0.368 0.000 1.186 177 G CA 0.832 46.093 45.100 0.269 0.000 0.779 177 G HN 0.391 nan 8.290 nan 0.000 0.543 178 A N 0.139 123.115 122.820 0.261 0.000 1.883 178 A HA -0.111 4.232 4.320 0.038 0.000 0.217 178 A C 2.228 179.923 177.584 0.185 0.000 1.186 178 A CA 1.905 54.056 52.037 0.190 0.000 0.624 178 A CB -0.891 18.192 19.000 0.139 0.000 0.822 178 A HN 0.554 nan 8.150 nan 0.000 0.444 179 Y N 1.368 121.734 120.300 0.109 0.000 2.114 179 Y HA -0.258 4.314 4.550 0.038 0.000 0.282 179 Y C 2.708 178.648 175.900 0.066 0.000 1.165 179 Y CA 2.178 60.340 58.100 0.104 0.000 1.148 179 Y CB -0.427 38.134 38.460 0.169 0.000 0.972 179 Y HN 0.302 nan 8.280 nan 0.000 0.504 180 S N 0.300 116.093 115.700 0.154 0.000 2.368 180 S HA -0.259 4.234 4.470 0.038 0.000 0.225 180 S C 1.930 176.534 174.600 0.008 0.000 1.030 180 S CA 1.668 59.885 58.200 0.028 0.000 0.999 180 S CB -0.538 62.719 63.200 0.096 0.000 0.844 180 S HN 0.586 nan 8.310 nan 0.000 0.459 181 M N 2.021 121.689 119.600 0.112 0.000 2.159 181 M HA -0.071 4.432 4.480 0.038 0.000 0.263 181 M C 1.114 177.349 176.300 -0.108 0.000 1.063 181 M CA 1.475 56.821 55.300 0.077 0.000 1.110 181 M CB -0.550 32.112 32.600 0.104 0.000 1.374 181 M HN -0.007 nan 8.290 nan 0.000 0.411 182 D N -0.720 119.533 120.400 -0.244 0.000 2.097 182 D HA -0.105 4.558 4.640 0.038 0.000 0.197 182 D C 2.144 177.991 176.300 -0.755 0.000 0.984 182 D CA 1.441 55.099 54.000 -0.570 0.000 0.826 182 D CB -0.354 40.031 40.800 -0.691 0.000 0.973 182 D HN 0.248 nan 8.370 nan 0.000 0.460 183 V N 1.531 121.072 119.914 -0.621 0.000 2.287 183 V HA -0.211 3.932 4.120 0.038 0.000 0.248 183 V C 2.414 178.459 176.094 -0.082 0.000 1.053 183 V CA 1.066 63.140 62.300 -0.376 0.000 1.027 183 V CB -0.153 31.448 31.823 -0.370 0.000 0.646 183 V HN 0.256 nan 8.190 nan 0.000 0.447 184 I N 0.761 121.331 120.570 -0.000 0.000 2.500 184 I HA -0.135 4.058 4.170 0.038 0.000 0.252 184 I C 2.574 178.758 176.117 0.112 0.000 1.142 184 I CA 2.161 63.521 61.300 0.101 0.000 1.451 184 I CB -0.649 37.454 38.000 0.172 0.000 1.093 184 I HN 0.588 nan 8.210 nan 0.000 0.430 185 T N -1.590 113.030 114.554 0.110 0.000 2.857 185 T HA -0.094 4.279 4.350 0.038 0.000 0.266 185 T C 2.104 176.933 174.700 0.216 0.000 1.048 185 T CA 1.310 63.576 62.100 0.277 0.000 1.139 185 T CB -0.631 68.240 68.868 0.005 0.000 0.874 185 T HN 0.410 nan 8.240 nan 0.000 0.455 186 S N 2.534 118.264 115.700 0.050 0.000 2.355 186 S HA -0.164 4.329 4.470 0.038 0.000 0.222 186 S C 2.412 177.087 174.600 0.124 0.000 1.031 186 S CA 1.614 59.886 58.200 0.120 0.000 0.993 186 S CB -1.651 61.670 63.200 0.202 0.000 0.859 186 S HN 0.789 nan 8.310 nan 0.000 0.453 187 T N -0.337 114.264 114.554 0.078 0.000 2.867 187 T HA 0.036 4.409 4.350 0.038 0.000 0.268 187 T C 1.885 176.557 174.700 -0.045 0.000 1.057 187 T CA 1.497 63.625 62.100 0.046 0.000 1.136 187 T CB -0.641 68.250 68.868 0.038 0.000 0.874 187 T HN 0.397 nan 8.240 nan 0.000 0.466 188 S N 0.320 115.932 115.700 -0.146 0.000 2.468 188 S HA 0.340 4.833 4.470 0.038 0.000 0.226 188 S C 1.034 175.309 174.600 -0.542 0.000 1.051 188 S CA 0.105 58.061 58.200 -0.407 0.000 0.943 188 S CB -0.125 62.626 63.200 -0.749 0.000 0.810 188 S HN 0.610 nan 8.310 nan 0.000 0.509 189 F N 0.351 120.345 119.950 0.073 0.000 2.746 189 F HA 0.399 4.949 4.527 0.039 0.000 0.313 189 F C 1.636 177.399 175.800 -0.061 0.000 1.095 189 F CA 0.056 58.061 58.000 0.008 0.000 1.224 189 F CB 0.137 39.152 39.000 0.026 0.000 1.060 189 F HN 0.239 nan 8.300 nan 0.000 0.584 190 G N 1.691 110.572 108.800 0.135 0.000 2.176 190 G HA2 -0.227 3.756 3.960 0.038 0.000 0.252 190 G HA3 -0.227 3.756 3.960 0.038 0.000 0.252 190 G C -0.313 174.663 174.900 0.126 0.000 1.024 190 G CA 0.217 45.396 45.100 0.132 0.000 0.755 190 G HN 0.205 nan 8.290 nan 0.000 0.507 191 V N 0.293 120.289 119.914 0.136 0.000 2.628 191 V HA 0.604 4.747 4.120 0.038 0.000 0.306 191 V C -0.051 176.095 176.094 0.087 0.000 1.045 191 V CA -1.209 61.143 62.300 0.086 0.000 0.905 191 V CB 1.993 33.840 31.823 0.039 0.000 0.997 191 V HN 0.327 nan 8.190 nan 0.000 0.436 192 N N 3.455 122.206 118.700 0.085 0.000 2.485 192 N HA 0.310 5.073 4.740 0.038 0.000 0.243 192 N C 0.348 175.875 175.510 0.028 0.000 0.987 192 N CA -0.502 52.618 53.050 0.117 0.000 0.940 192 N CB 1.131 39.714 38.487 0.160 0.000 1.122 192 N HN 0.703 nan 8.380 nan 0.000 0.509 193 I N -0.684 119.846 120.570 -0.066 0.000 3.793 193 I HA 0.286 4.479 4.170 0.038 0.000 0.315 193 I C 0.348 176.446 176.117 -0.033 0.000 1.275 193 I CA -0.122 61.093 61.300 -0.141 0.000 1.214 193 I CB -0.189 37.509 38.000 -0.503 0.000 1.018 193 I HN 0.267 nan 8.210 nan 0.000 0.439 194 D N 1.755 122.187 120.400 0.054 0.000 2.692 194 D HA -0.267 4.396 4.640 0.038 0.000 0.233 194 D C 1.413 177.759 176.300 0.077 0.000 1.172 194 D CA 0.918 54.984 54.000 0.110 0.000 0.636 194 D CB -0.770 40.088 40.800 0.096 0.000 1.028 194 D HN 0.506 nan 8.370 nan 0.000 0.419 195 S N -0.758 114.965 115.700 0.039 0.000 2.399 195 S HA -0.138 4.355 4.470 0.038 0.000 0.231 195 S C 1.714 176.361 174.600 0.079 0.000 1.022 195 S CA 0.790 59.018 58.200 0.047 0.000 0.983 195 S CB -0.099 63.111 63.200 0.017 0.000 0.803 195 S HN 0.390 nan 8.310 nan 0.000 0.480 196 L N 2.133 123.422 121.223 0.110 0.000 2.353 196 L HA 0.147 4.510 4.340 0.038 0.000 0.220 196 L C 1.254 178.184 176.870 0.100 0.000 1.133 196 L CA 1.463 56.382 54.840 0.131 0.000 0.798 196 L CB -0.888 41.294 42.059 0.205 0.000 0.922 196 L HN 0.316 nan 8.230 nan 0.000 0.445 197 N N -0.875 117.880 118.700 0.091 0.000 2.184 197 N HA 0.084 4.847 4.740 0.038 0.000 0.206 197 N C -0.397 175.146 175.510 0.056 0.000 1.151 197 N CA 0.044 53.135 53.050 0.068 0.000 0.878 197 N CB 0.356 38.883 38.487 0.068 0.000 1.014 197 N HN 0.249 nan 8.380 nan 0.000 0.512 198 N N 0.785 119.521 118.700 0.059 0.000 2.511 198 N HA 0.289 5.052 4.740 0.038 0.000 0.249 198 N C -1.906 173.632 175.510 0.046 0.000 0.971 198 N CA -1.426 51.655 53.050 0.052 0.000 0.938 198 N CB 1.904 40.428 38.487 0.063 0.000 1.131 198 N HN -0.062 nan 8.380 nan 0.000 0.505 199 P HA -0.063 nan 4.420 nan 0.000 0.221 199 P C 0.355 177.667 177.300 0.020 0.000 1.150 199 P CA 1.130 64.246 63.100 0.026 0.000 0.800 199 P CB 0.439 32.149 31.700 0.017 0.000 0.787 200 Q N -0.540 119.272 119.800 0.020 0.000 2.222 200 Q HA 0.066 4.429 4.340 0.038 0.000 0.206 200 Q C -0.072 175.933 176.000 0.010 0.000 0.877 200 Q CA -0.329 55.478 55.803 0.008 0.000 0.958 200 Q CB -0.399 28.343 28.738 0.007 0.000 1.075 200 Q HN 0.223 nan 8.270 nan 0.000 0.483 201 D N 1.834 122.254 120.400 0.033 0.000 2.581 201 D HA -0.074 4.589 4.640 0.038 0.000 0.238 201 D C -1.365 174.950 176.300 0.025 0.000 1.145 201 D CA -0.933 53.110 54.000 0.072 0.000 0.866 201 D CB 0.961 41.819 40.800 0.097 0.000 1.151 201 D HN 0.024 nan 8.370 nan 0.000 0.500 202 P HA -0.095 nan 4.420 nan 0.000 0.230 202 P C 1.029 178.023 177.300 -0.510 0.000 1.158 202 P CA 0.652 63.567 63.100 -0.309 0.000 0.769 202 P CB 0.037 31.551 31.700 -0.309 0.000 0.807 203 F N -0.011 119.867 119.950 -0.120 0.000 2.163 203 F HA -0.113 4.437 4.527 0.038 0.000 0.297 203 F C 2.533 178.224 175.800 -0.181 0.000 1.094 203 F CA 1.210 59.205 58.000 -0.008 0.000 1.290 203 F CB -1.061 37.992 39.000 0.089 0.000 1.017 203 F HN -0.285 nan 8.300 nan 0.000 0.483 204 V N -0.290 119.599 119.914 -0.041 0.000 2.323 204 V HA -0.183 3.960 4.120 0.038 0.000 0.244 204 V C 2.263 178.210 176.094 -0.246 0.000 1.041 204 V CA 1.580 63.714 62.300 -0.277 0.000 1.025 204 V CB -0.497 31.230 31.823 -0.161 0.000 0.656 204 V HN 0.194 nan 8.190 nan 0.000 0.451 205 E N 0.519 120.617 120.200 -0.170 0.000 2.118 205 E HA -0.188 4.185 4.350 0.038 0.000 0.195 205 E C 2.025 178.521 176.600 -0.174 0.000 0.992 205 E CA 1.170 57.481 56.400 -0.147 0.000 0.804 205 E CB -0.514 29.097 29.700 -0.148 0.000 0.741 205 E HN 0.592 nan 8.360 nan 0.000 0.458 206 N N 0.086 118.614 118.700 -0.287 0.000 2.173 206 N HA -0.049 4.713 4.740 0.038 0.000 0.184 206 N C 1.857 177.319 175.510 -0.081 0.000 1.025 206 N CA 1.365 54.260 53.050 -0.258 0.000 0.852 206 N CB -0.305 37.857 38.487 -0.541 0.000 0.998 206 N HN 0.131 nan 8.380 nan 0.000 0.427 207 T N 2.172 116.678 114.554 -0.080 0.000 2.746 207 T HA -0.151 4.222 4.350 0.038 0.000 0.267 207 T C 1.872 176.680 174.700 0.180 0.000 1.039 207 T CA 1.516 63.653 62.100 0.062 0.000 1.142 207 T CB -0.099 68.745 68.868 -0.040 0.000 0.866 207 T HN 0.496 nan 8.240 nan 0.000 0.444 208 K N 1.587 122.009 120.400 0.037 0.000 2.280 208 K HA -0.010 4.333 4.320 0.038 0.000 0.202 208 K C 1.607 178.354 176.600 0.245 0.000 1.047 208 K CA 1.229 57.653 56.287 0.229 0.000 0.942 208 K CB -0.093 32.512 32.500 0.176 0.000 0.739 208 K HN 0.133 nan 8.250 nan 0.000 0.457 209 K N 0.373 120.869 120.400 0.161 0.000 2.520 209 K HA 0.107 4.450 4.320 0.038 0.000 0.205 209 K C 0.750 177.458 176.600 0.180 0.000 1.035 209 K CA -0.176 56.198 56.287 0.145 0.000 1.188 209 K CB 0.257 32.803 32.500 0.076 0.000 0.894 209 K HN 0.056 nan 8.250 nan 0.000 0.497 210 L N 0.432 121.793 121.223 0.229 0.000 2.375 210 L HA 0.172 4.535 4.340 0.038 0.000 0.215 210 L C 0.319 177.314 176.870 0.207 0.000 1.108 210 L CA 1.018 55.969 54.840 0.186 0.000 0.830 210 L CB 0.327 42.400 42.059 0.024 0.000 0.959 210 L HN 0.086 nan 8.230 nan 0.000 0.457 215 F N 0.167 120.124 119.950 0.012 0.000 2.032 215 F HA -0.171 4.379 4.527 0.038 0.000 0.297 215 F C 1.114 176.929 175.800 0.025 0.000 1.125 215 F CA 1.443 59.449 58.000 0.009 0.000 1.202 215 F CB -0.344 38.663 39.000 0.013 0.000 0.958 215 F HN 0.195 nan 8.300 nan 0.000 0.491 216 L N -0.393 120.110 121.223 -1.200 0.000 2.817 216 L HA 0.136 4.499 4.340 0.038 0.000 0.248 216 L C 0.076 176.650 176.870 -0.495 0.000 1.133 216 L CA -0.148 54.211 54.840 -0.800 0.000 0.935 216 L CB -0.380 41.125 42.059 -0.924 0.000 1.266 216 L HN 0.128 nan 8.230 nan 0.000 0.535 217 D N 2.535 122.700 120.400 -0.392 0.000 8.133 217 D HA -0.153 4.510 4.640 0.038 0.000 0.154 217 D C -1.331 174.959 176.300 -0.016 0.000 1.258 217 D CA -0.252 53.719 54.000 -0.048 0.000 0.886 217 D CB 0.649 41.570 40.800 0.201 0.000 1.696 217 D HN 0.066 nan 8.370 nan 0.000 0.965 218 P HA -0.255 nan 4.420 nan 0.000 0.222 218 P C 1.465 178.754 177.300 -0.018 0.000 1.157 218 P CA 1.256 64.333 63.100 -0.038 0.000 0.905 218 P CB -0.190 31.518 31.700 0.013 0.000 0.792 219 F N -1.610 118.247 119.950 -0.156 0.000 2.039 219 F HA -0.179 4.371 4.527 0.038 0.000 0.294 219 F C 2.280 177.895 175.800 -0.308 0.000 1.130 219 F CA 1.406 59.245 58.000 -0.269 0.000 1.189 219 F CB -0.628 38.142 39.000 -0.384 0.000 0.983 219 F HN -0.252 nan 8.300 nan 0.000 0.471 220 F N 0.075 119.978 119.950 -0.078 0.000 2.134 220 F HA -0.213 4.337 4.527 0.038 0.000 0.299 220 F C 2.226 177.883 175.800 -0.238 0.000 1.097 220 F CA 0.991 58.889 58.000 -0.171 0.000 1.264 220 F CB -0.759 38.227 39.000 -0.023 0.000 1.001 220 F HN -0.030 nan 8.300 nan 0.000 0.479 221 L N -1.143 120.056 121.223 -0.040 0.000 2.291 221 L HA -0.118 4.245 4.340 0.038 0.000 0.214 221 L C 2.069 178.716 176.870 -0.372 0.000 1.120 221 L CA 1.160 55.912 54.840 -0.146 0.000 0.799 221 L CB -0.904 41.072 42.059 -0.137 0.000 0.925 221 L HN 0.138 nan 8.230 nan 0.000 0.446 222 S N -0.454 114.926 115.700 -0.533 0.000 2.458 222 S HA 0.072 4.565 4.470 0.038 0.000 0.223 222 S C 1.917 175.881 174.600 -1.061 0.000 1.019 222 S CA 0.193 57.746 58.200 -1.080 0.000 0.937 222 S CB 0.285 63.038 63.200 -0.746 0.000 0.788 222 S HN 0.274 nan 8.310 nan 0.000 0.511 223 I N 1.748 121.906 120.570 -0.686 0.000 2.252 223 I HA -0.164 4.029 4.170 0.038 0.000 0.245 223 I C 2.269 178.161 176.117 -0.375 0.000 1.102 223 I CA 1.135 62.102 61.300 -0.554 0.000 1.385 223 I CB -0.389 37.276 38.000 -0.558 0.000 1.064 223 I HN 0.281 nan 8.210 nan 0.000 0.414 224 T N -0.209 114.181 114.554 -0.274 0.000 2.851 224 T HA -0.064 4.309 4.350 0.038 0.000 0.262 224 T C 1.914 176.549 174.700 -0.109 0.000 1.043 224 T CA 0.961 62.993 62.100 -0.113 0.000 1.140 224 T CB -0.220 68.650 68.868 0.003 0.000 0.872 224 T HN 0.097 nan 8.240 nan 0.000 0.446 225 V N 0.830 120.589 119.914 -0.259 0.000 2.488 225 V HA 0.073 4.216 4.120 0.038 0.000 0.246 225 V C 0.729 176.818 176.094 -0.008 0.000 1.046 225 V CA 1.055 63.286 62.300 -0.115 0.000 1.053 225 V CB -0.663 31.053 31.823 -0.177 0.000 0.679 225 V HN 0.547 nan 8.190 nan 0.000 0.458 226 F N 0.974 120.699 119.950 -0.374 0.000 2.334 226 F HA 0.419 4.969 4.527 0.038 0.000 0.343 226 F C -1.598 173.744 175.800 -0.763 0.000 1.136 226 F CA -2.167 55.176 58.000 -1.094 0.000 1.237 226 F CB 0.497 38.605 39.000 -1.487 0.000 1.525 226 F HN 0.045 nan 8.300 nan 0.000 0.528 227 P HA -0.158 nan 4.420 nan 0.000 0.229 227 P C 1.292 178.547 177.300 -0.076 0.000 1.160 227 P CA 0.840 63.856 63.100 -0.140 0.000 0.777 227 P CB -0.215 31.483 31.700 -0.003 0.000 0.814 228 F N -2.080 117.918 119.950 0.080 0.000 2.722 228 F HA 0.138 4.688 4.527 0.038 0.000 0.298 228 F C 1.464 177.288 175.800 0.040 0.000 1.175 228 F CA 0.296 58.329 58.000 0.054 0.000 1.462 228 F CB -1.291 37.746 39.000 0.061 0.000 1.111 228 F HN -0.236 nan 8.300 nan 0.000 0.592 229 L N -0.144 120.970 121.223 -0.181 0.000 2.664 229 L HA 0.337 4.700 4.340 0.038 0.000 0.233 229 L C 1.847 178.663 176.870 -0.090 0.000 1.113 229 L CA 0.364 55.141 54.840 -0.107 0.000 0.896 229 L CB -0.202 41.753 42.059 -0.173 0.000 1.163 229 L HN 0.132 nan 8.230 nan 0.000 0.497 230 I N 0.481 120.982 120.570 -0.116 0.000 2.202 230 I HA -0.170 4.023 4.170 0.038 0.000 0.242 230 I C -0.474 175.611 176.117 -0.054 0.000 1.091 230 I CA 1.125 62.351 61.300 -0.123 0.000 1.368 230 I CB -1.257 36.651 38.000 -0.153 0.000 1.058 230 I HN 0.208 nan 8.210 nan 0.000 0.410 231 P HA -0.144 nan 4.420 nan 0.000 0.216 231 P C 1.789 179.097 177.300 0.013 0.000 1.150 231 P CA 1.520 64.625 63.100 0.008 0.000 0.837 231 P CB -0.041 31.674 31.700 0.026 0.000 0.786 232 I N -1.222 119.358 120.570 0.016 0.000 2.127 232 I HA -0.242 3.951 4.170 0.038 0.000 0.241 232 I C 2.281 178.407 176.117 0.016 0.000 1.075 232 I CA 1.505 62.817 61.300 0.020 0.000 1.334 232 I CB -0.924 37.091 38.000 0.025 0.000 1.040 232 I HN -0.135 nan 8.210 nan 0.000 0.405 233 L N 0.188 121.414 121.223 0.004 0.000 2.191 233 L HA -0.199 4.164 4.340 0.038 0.000 0.212 233 L C 2.479 179.364 176.870 0.025 0.000 1.103 233 L CA 1.056 55.907 54.840 0.019 0.000 0.769 233 L CB -0.502 41.563 42.059 0.010 0.000 0.908 233 L HN 0.249 nan 8.230 nan 0.000 0.438 234 E N 0.137 120.345 120.200 0.013 0.000 2.015 234 E HA -0.172 4.201 4.350 0.038 0.000 0.191 234 E C 2.230 178.852 176.600 0.035 0.000 0.991 234 E CA 1.219 57.634 56.400 0.025 0.000 0.802 234 E CB -0.132 29.579 29.700 0.019 0.000 0.759 234 E HN 0.104 nan 8.360 nan 0.000 0.447 235 V N 0.729 120.661 119.914 0.030 0.000 2.317 235 V HA -0.275 3.868 4.120 0.038 0.000 0.251 235 V C 2.156 178.268 176.094 0.031 0.000 1.065 235 V CA 1.731 64.049 62.300 0.030 0.000 1.049 235 V CB -0.424 31.414 31.823 0.025 0.000 0.651 235 V HN 0.332 nan 8.190 nan 0.000 0.450 236 L N 0.113 121.354 121.223 0.030 0.000 2.650 236 L HA 0.113 4.476 4.340 0.038 0.000 0.235 236 L C 1.178 178.069 176.870 0.034 0.000 1.149 236 L CA 0.428 55.286 54.840 0.030 0.000 0.887 236 L CB -0.628 41.449 42.059 0.029 0.000 1.021 236 L HN 0.491 nan 8.230 nan 0.000 0.441 237 N N 0.660 119.385 118.700 0.042 0.000 2.725 237 N HA -0.182 4.581 4.740 0.038 0.000 0.249 237 N C -0.186 175.355 175.510 0.052 0.000 1.103 237 N CA 0.451 53.533 53.050 0.053 0.000 0.707 237 N CB -0.447 38.069 38.487 0.048 0.000 1.043 237 N HN 0.136 nan 8.380 nan 0.000 0.553 238 I N 0.374 120.974 120.570 0.050 0.000 2.440 238 I HA 0.239 4.432 4.170 0.038 0.000 0.294 238 I C 1.026 177.177 176.117 0.058 0.000 0.995 238 I CA -0.332 60.996 61.300 0.048 0.000 1.306 238 I CB 1.417 39.467 38.000 0.083 0.000 1.407 238 I HN 0.089 nan 8.210 nan 0.000 0.501 239 C N 5.266 124.579 119.300 0.021 0.000 2.609 239 C HA 0.411 4.894 4.460 0.038 0.000 0.313 239 C C 1.667 176.601 174.990 -0.094 0.000 1.175 239 C CA -0.452 58.582 59.018 0.027 0.000 1.434 239 C CB 1.511 29.321 27.740 0.117 0.000 2.005 239 C HN 0.723 nan 8.230 nan 0.000 0.471 240 V N 3.284 123.107 119.914 -0.151 0.000 2.407 240 V HA -0.085 4.058 4.120 0.038 0.000 0.248 240 V C 0.678 176.556 176.094 -0.360 0.000 1.055 240 V CA 1.638 63.758 62.300 -0.301 0.000 1.049 240 V CB -0.550 31.008 31.823 -0.442 0.000 0.662 240 V HN 0.740 nan 8.190 nan 0.000 0.455 241 F N 1.484 121.472 119.950 0.062 0.000 2.410 241 F HA 0.387 4.937 4.527 0.037 0.000 0.348 241 F C -1.639 174.167 175.800 0.010 0.000 1.106 241 F CA -2.868 55.165 58.000 0.055 0.000 1.163 241 F CB -0.239 38.799 39.000 0.064 0.000 1.129 241 F HN 0.003 nan 8.300 nan 0.000 0.516 242 P HA 0.007 nan 4.420 nan 0.000 0.264 242 P C 0.476 177.840 177.300 0.108 0.000 1.183 242 P CA -0.024 63.120 63.100 0.073 0.000 0.763 242 P CB 0.846 32.584 31.700 0.064 0.000 0.807 243 R N 1.847 122.387 120.500 0.067 0.000 2.120 243 R HA -0.196 4.167 4.340 0.038 0.000 0.234 243 R C 2.157 178.499 176.300 0.071 0.000 1.123 243 R CA 1.718 57.865 56.100 0.078 0.000 0.975 243 R CB -0.195 30.131 30.300 0.044 0.000 0.866 243 R HN 0.551 nan 8.270 nan 0.000 0.446 244 E N -0.255 119.977 120.200 0.052 0.000 2.058 244 E HA -0.177 4.196 4.350 0.038 0.000 0.194 244 E C 1.629 178.271 176.600 0.068 0.000 0.997 244 E CA 1.943 58.371 56.400 0.046 0.000 0.801 244 E CB -0.070 29.643 29.700 0.022 0.000 0.746 244 E HN 0.134 nan 8.360 nan 0.000 0.450 245 V N 0.733 120.693 119.914 0.078 0.000 2.323 245 V HA -0.221 3.922 4.120 0.038 0.000 0.244 245 V C 2.590 178.762 176.094 0.131 0.000 1.041 245 V CA 2.101 64.455 62.300 0.090 0.000 1.025 245 V CB -1.021 30.855 31.823 0.088 0.000 0.656 245 V HN 0.596 nan 8.190 nan 0.000 0.451 246 T N -1.378 113.264 114.554 0.147 0.000 2.881 246 T HA -0.187 4.186 4.350 0.038 0.000 0.270 246 T C 1.663 176.420 174.700 0.095 0.000 1.068 246 T CA 1.755 63.961 62.100 0.177 0.000 1.131 246 T CB -0.523 68.537 68.868 0.320 0.000 0.871 246 T HN 0.389 nan 8.240 nan 0.000 0.479 247 N N 0.550 119.293 118.700 0.073 0.000 2.142 247 N HA 0.099 4.862 4.740 0.038 0.000 0.186 247 N C 1.236 176.747 175.510 0.002 0.000 1.023 247 N CA 0.801 53.860 53.050 0.015 0.000 0.852 247 N CB -0.477 38.024 38.487 0.023 0.000 0.998 247 N HN 0.470 nan 8.380 nan 0.000 0.424 248 F N 0.733 120.629 119.950 -0.091 0.000 2.031 248 F HA -0.147 4.403 4.527 0.038 0.000 0.295 248 F C 1.739 177.421 175.800 -0.197 0.000 1.133 248 F CA 1.153 59.062 58.000 -0.152 0.000 1.188 248 F CB -0.434 38.459 39.000 -0.179 0.000 0.974 248 F HN -0.052 nan 8.300 nan 0.000 0.473 249 L N 0.758 121.958 121.223 -0.038 0.000 2.079 249 L HA -0.194 4.169 4.340 0.038 0.000 0.210 249 L C 2.562 179.328 176.870 -0.172 0.000 1.081 249 L CA 1.686 56.447 54.840 -0.131 0.000 0.752 249 L CB -1.189 40.907 42.059 0.062 0.000 0.896 249 L HN 0.150 nan 8.230 nan 0.000 0.433 250 R N -0.635 119.789 120.500 -0.127 0.000 2.081 250 R HA -0.155 4.208 4.340 0.038 0.000 0.235 250 R C 2.315 178.495 176.300 -0.199 0.000 1.131 250 R CA 1.375 57.378 56.100 -0.162 0.000 0.960 250 R CB -0.033 30.142 30.300 -0.208 0.000 0.856 250 R HN 0.256 nan 8.270 nan 0.000 0.436 251 K N -0.626 119.629 120.400 -0.241 0.000 2.097 251 K HA -0.039 4.304 4.320 0.038 0.000 0.205 251 K C 2.139 178.569 176.600 -0.285 0.000 1.050 251 K CA 1.504 57.643 56.287 -0.246 0.000 0.938 251 K CB 0.066 32.417 32.500 -0.248 0.000 0.718 251 K HN 0.073 nan 8.250 nan 0.000 0.442 252 S N 0.536 115.981 115.700 -0.425 0.000 2.356 252 S HA -0.113 4.380 4.470 0.038 0.000 0.223 252 S C 2.025 176.490 174.600 -0.225 0.000 1.032 252 S CA 1.160 59.134 58.200 -0.375 0.000 1.005 252 S CB -0.134 62.715 63.200 -0.586 0.000 0.867 252 S HN 0.042 nan 8.310 nan 0.000 0.449 253 V N 1.633 121.413 119.914 -0.224 0.000 2.343 253 V HA -0.189 3.954 4.120 0.038 0.000 0.247 253 V C 2.351 178.373 176.094 -0.120 0.000 1.051 253 V CA 1.777 63.964 62.300 -0.188 0.000 1.036 253 V CB -0.571 31.186 31.823 -0.110 0.000 0.654 253 V HN 0.315 nan 8.190 nan 0.000 0.451 254 K N 0.458 120.786 120.400 -0.121 0.000 2.009 254 K HA -0.236 4.107 4.320 0.038 0.000 0.210 254 K C 2.364 178.913 176.600 -0.085 0.000 1.049 254 K CA 2.049 58.278 56.287 -0.096 0.000 0.929 254 K CB -0.394 32.041 32.500 -0.108 0.000 0.714 254 K HN 0.435 nan 8.250 nan 0.000 0.440 255 R N 0.126 120.565 120.500 -0.102 0.000 2.091 255 R HA -0.162 4.201 4.340 0.038 0.000 0.238 255 R C 2.093 178.356 176.300 -0.062 0.000 1.136 255 R CA 2.119 58.172 56.100 -0.080 0.000 0.959 255 R CB -0.264 29.981 30.300 -0.092 0.000 0.856 255 R HN 0.219 nan 8.270 nan 0.000 0.437 256 M N 0.355 119.909 119.600 -0.076 0.000 2.175 256 M HA -0.094 4.408 4.480 0.038 0.000 0.264 256 M C 2.454 178.741 176.300 -0.021 0.000 1.063 256 M CA 1.596 56.864 55.300 -0.054 0.000 1.119 256 M CB -0.122 32.409 32.600 -0.115 0.000 1.377 256 M HN 0.161 nan 8.290 nan 0.000 0.415 257 K N 0.440 120.824 120.400 -0.026 0.000 2.057 257 K HA -0.215 4.128 4.320 0.038 0.000 0.206 257 K C 1.796 178.378 176.600 -0.031 0.000 1.050 257 K CA 1.514 57.788 56.287 -0.021 0.000 0.935 257 K CB 0.074 32.558 32.500 -0.027 0.000 0.715 257 K HN 0.061 nan 8.250 nan 0.000 0.439 258 E N 0.446 120.625 120.200 -0.036 0.000 2.097 258 E HA -0.160 4.213 4.350 0.038 0.000 0.196 258 E C 1.807 178.391 176.600 -0.026 0.000 1.000 258 E CA 1.930 58.310 56.400 -0.033 0.000 0.804 258 E CB -0.084 29.595 29.700 -0.036 0.000 0.740 258 E HN 0.220 nan 8.360 nan 0.000 0.454 259 S N -0.172 115.513 115.700 -0.025 0.000 2.356 259 S HA -0.192 4.301 4.470 0.038 0.000 0.223 259 S C 1.930 176.516 174.600 -0.023 0.000 1.032 259 S CA 1.393 59.581 58.200 -0.019 0.000 1.005 259 S CB -0.349 62.842 63.200 -0.015 0.000 0.867 259 S HN 0.177 nan 8.310 nan 0.000 0.449 260 R N 1.427 121.904 120.500 -0.040 0.000 2.120 260 R HA 0.078 4.441 4.340 0.038 0.000 0.234 260 R C 1.571 177.853 176.300 -0.031 0.000 1.123 260 R CA 1.239 57.305 56.100 -0.057 0.000 0.975 260 R CB -0.578 29.669 30.300 -0.088 0.000 0.866 260 R HN 0.387 nan 8.270 nan 0.000 0.446 261 L N -0.035 121.171 121.223 -0.028 0.000 2.591 261 L HA 0.155 4.518 4.340 0.038 0.000 0.228 261 L C 1.295 178.157 176.870 -0.014 0.000 1.133 261 L CA 0.539 55.366 54.840 -0.022 0.000 0.880 261 L CB 0.022 42.066 42.059 -0.026 0.000 1.033 261 L HN 0.248 nan 8.230 nan 0.000 0.450 262 E N -0.492 119.702 120.200 -0.011 0.000 2.447 262 E HA -0.002 4.371 4.350 0.038 0.000 0.204 262 E C -0.307 176.294 176.600 0.002 0.000 0.977 262 E CA -0.125 56.272 56.400 -0.006 0.000 0.950 262 E CB 0.564 30.260 29.700 -0.007 0.000 0.975 262 E HN 0.477 nan 8.360 nan 0.000 0.496 263 D N -0.578 119.826 120.400 0.008 0.000 2.193 263 D HA 0.074 4.737 4.640 0.038 0.000 0.249 263 D C 0.743 177.053 176.300 0.017 0.000 1.034 263 D CA -0.387 53.623 54.000 0.017 0.000 0.902 263 D CB 1.395 42.214 40.800 0.031 0.000 1.182 263 D HN -0.305 nan 8.370 nan 0.000 0.436 264 T N -0.398 114.165 114.554 0.016 0.000 2.777 264 T HA -0.141 4.232 4.350 0.038 0.000 0.266 264 T C 0.900 175.610 174.700 0.016 0.000 1.040 264 T CA 0.781 62.888 62.100 0.012 0.000 1.141 264 T CB -0.229 68.644 68.868 0.009 0.000 0.868 264 T HN 0.424 nan 8.240 nan 0.000 0.444 265 Q N 1.644 121.458 119.800 0.023 0.000 2.311 265 Q HA 0.127 4.489 4.340 0.038 0.000 0.272 265 Q C -0.446 175.578 176.000 0.040 0.000 1.012 265 Q CA 0.276 56.094 55.803 0.026 0.000 0.891 265 Q CB 0.511 29.266 28.738 0.028 0.000 1.201 265 Q HN 0.386 nan 8.270 nan 0.000 0.391 266 K N 3.155 123.571 120.400 0.028 0.000 2.363 266 K HA 0.040 4.382 4.320 0.038 0.000 0.289 266 K C 0.167 176.800 176.600 0.054 0.000 1.063 266 K CA -0.166 56.144 56.287 0.037 0.000 0.967 266 K CB 0.311 32.819 32.500 0.014 0.000 0.987 266 K HN 0.489 nan 8.250 nan 0.000 0.473 267 H N 3.387 122.450 119.070 -0.012 0.000 2.913 267 H HA -0.025 4.554 4.556 0.038 0.000 0.365 267 H C 0.212 175.530 175.328 -0.016 0.000 1.155 267 H CA 0.321 56.363 56.048 -0.010 0.000 1.417 267 H CB 0.709 30.467 29.762 -0.008 0.000 1.386 267 H HN 0.561 nan 8.280 nan 0.000 0.614 268 R N 1.311 121.616 120.500 -0.326 0.000 2.590 268 R HA 0.188 4.551 4.340 0.038 0.000 0.274 268 R C -0.653 175.671 176.300 0.039 0.000 1.061 268 R CA -0.639 55.378 56.100 -0.138 0.000 1.081 268 R CB 0.275 30.466 30.300 -0.181 0.000 0.984 268 R HN 0.134 nan 8.270 nan 0.000 0.448 269 V N 4.440 124.361 119.914 0.011 0.000 2.409 269 V HA -0.007 4.136 4.120 0.038 0.000 0.270 269 V C 0.132 176.226 176.094 0.001 0.000 1.019 269 V CA 0.239 62.544 62.300 0.009 0.000 1.066 269 V CB -0.657 31.148 31.823 -0.030 0.000 1.021 269 V HN 0.986 nan 8.190 nan 0.000 0.476 270 D N 3.822 124.230 120.400 0.014 0.000 2.712 270 D HA 0.197 4.860 4.640 0.038 0.000 0.252 270 D C 0.942 177.176 176.300 -0.110 0.000 1.123 270 D CA -0.995 52.986 54.000 -0.030 0.000 1.109 270 D CB 0.460 41.278 40.800 0.030 0.000 1.313 270 D HN 0.157 nan 8.370 nan 0.000 0.629 271 F N -0.091 119.666 119.950 -0.322 0.000 2.115 271 F HA -0.142 4.408 4.527 0.037 0.000 0.300 271 F C 1.933 177.508 175.800 -0.375 0.000 1.092 271 F CA 1.502 59.241 58.000 -0.435 0.000 1.245 271 F CB -0.210 38.449 39.000 -0.569 0.000 0.995 271 F HN 0.287 nan 8.300 nan 0.000 0.481 272 L N -0.293 120.681 121.223 -0.414 0.000 2.056 272 L HA -0.225 4.138 4.340 0.038 0.000 0.207 272 L C 2.504 179.201 176.870 -0.289 0.000 1.078 272 L CA 1.702 56.325 54.840 -0.361 0.000 0.749 272 L CB -0.526 41.463 42.059 -0.117 0.000 0.901 272 L HN 0.243 nan 8.230 nan 0.000 0.433 273 Q N -0.252 119.425 119.800 -0.205 0.000 2.084 273 Q HA -0.214 4.149 4.340 0.038 0.000 0.202 273 Q C 2.013 177.911 176.000 -0.169 0.000 0.978 273 Q CA 1.606 57.325 55.803 -0.140 0.000 0.844 273 Q CB -0.311 28.391 28.738 -0.060 0.000 0.898 273 Q HN 0.278 nan 8.270 nan 0.000 0.426 274 L N -0.237 120.855 121.223 -0.219 0.000 2.013 274 L HA -0.175 4.188 4.340 0.038 0.000 0.212 274 L C 2.266 178.985 176.870 -0.252 0.000 1.073 274 L CA 1.898 56.604 54.840 -0.223 0.000 0.753 274 L CB -0.889 41.015 42.059 -0.258 0.000 0.890 274 L HN 0.399 nan 8.230 nan 0.000 0.432 275 M N -1.784 117.597 119.600 -0.365 0.000 2.175 275 M HA -0.209 4.294 4.480 0.038 0.000 0.264 275 M C 2.262 178.436 176.300 -0.211 0.000 1.063 275 M CA 1.611 56.708 55.300 -0.338 0.000 1.119 275 M CB -0.304 32.002 32.600 -0.491 0.000 1.377 275 M HN 0.202 nan 8.290 nan 0.000 0.415 276 I N 0.072 120.533 120.570 -0.183 0.000 2.353 276 I HA -0.263 3.930 4.170 0.038 0.000 0.248 276 I C 1.644 177.702 176.117 -0.097 0.000 1.119 276 I CA 0.944 62.172 61.300 -0.120 0.000 1.417 276 I CB -0.463 37.478 38.000 -0.099 0.000 1.078 276 I HN 0.218 nan 8.210 nan 0.000 0.421 277 D N 0.515 120.853 120.400 -0.103 0.000 2.178 277 D HA -0.156 4.507 4.640 0.038 0.000 0.201 277 D C 2.366 178.619 176.300 -0.079 0.000 0.980 277 D CA 1.655 55.606 54.000 -0.082 0.000 0.842 277 D CB -0.219 40.533 40.800 -0.081 0.000 0.948 277 D HN 0.354 nan 8.370 nan 0.000 0.472 278 S N 0.316 115.958 115.700 -0.097 0.000 2.399 278 S HA -0.170 4.323 4.470 0.038 0.000 0.231 278 S C 1.069 175.630 174.600 -0.066 0.000 1.022 278 S CA 0.411 58.559 58.200 -0.086 0.000 0.983 278 S CB -0.569 62.568 63.200 -0.106 0.000 0.803 278 S HN 0.262 nan 8.310 nan 0.000 0.480 279 Q N 2.304 122.065 119.800 -0.065 0.000 2.546 279 Q HA 0.259 4.622 4.340 0.038 0.000 0.237 279 Q C 0.005 175.981 176.000 -0.040 0.000 1.333 279 Q CA 0.032 55.805 55.803 -0.050 0.000 0.877 279 Q CB -0.240 28.468 28.738 -0.050 0.000 1.629 279 Q HN 0.624 nan 8.270 nan 0.000 0.549 280 N N 0.303 118.981 118.700 -0.036 0.000 2.476 280 N HA 0.087 4.850 4.740 0.038 0.000 0.162 280 N C -1.362 174.133 175.510 -0.025 0.000 1.860 280 N CA 0.196 53.228 53.050 -0.030 0.000 1.352 280 N CB 0.710 39.177 38.487 -0.033 0.000 1.398 280 N HN 0.231 nan 8.380 nan 0.000 0.580 281 S N 0.491 116.176 115.700 -0.025 0.000 2.756 281 S HA 0.417 4.909 4.470 0.038 0.000 0.303 281 S C -1.144 173.443 174.600 -0.021 0.000 1.135 281 S CA -0.951 57.237 58.200 -0.020 0.000 1.066 281 S CB 0.757 63.947 63.200 -0.018 0.000 1.008 281 S HN 0.449 nan 8.310 nan 0.000 0.482 282 K N 3.165 123.555 120.400 -0.017 0.000 2.294 282 K HA 0.200 4.543 4.320 0.038 0.000 0.288 282 K C 0.217 176.808 176.600 -0.015 0.000 1.072 282 K CA -0.262 56.015 56.287 -0.017 0.000 0.960 282 K CB 0.556 33.049 32.500 -0.012 0.000 1.043 282 K HN 0.693 nan 8.250 nan 0.000 0.455 283 E N 1.783 121.972 120.200 -0.019 0.000 2.219 283 E HA -0.132 4.241 4.350 0.038 0.000 0.198 283 E C -0.498 176.093 176.600 -0.014 0.000 0.998 283 E CA 0.940 57.329 56.400 -0.017 0.000 0.818 283 E CB -0.246 29.441 29.700 -0.022 0.000 0.741 283 E HN 0.841 nan 8.360 nan 0.000 0.477 284 T N 0.466 115.013 114.554 -0.013 0.000 0.542 284 T HA -0.185 4.188 4.350 0.038 0.000 0.774 284 T C 0.258 174.950 174.700 -0.012 0.000 0.992 284 T CA 0.587 62.682 62.100 -0.007 0.000 4.076 284 T CB -0.153 68.714 68.868 -0.001 0.000 2.303 284 T HN 0.450 nan 8.240 nan 0.000 0.398 285 E N -0.599 119.595 120.200 -0.010 0.000 4.625 285 E HA -0.268 4.105 4.350 0.038 0.000 0.165 285 E C 1.546 178.124 176.600 -0.037 0.000 1.173 285 E CA 2.117 58.505 56.400 -0.019 0.000 2.452 285 E CB -1.918 27.769 29.700 -0.022 0.000 1.745 285 E HN 0.672 nan 8.360 nan 0.000 0.486 286 S N -0.654 115.023 115.700 -0.038 0.000 2.431 286 S HA 0.111 4.603 4.470 0.038 0.000 0.210 286 S C 0.874 175.444 174.600 -0.051 0.000 1.013 286 S CA 0.960 59.131 58.200 -0.048 0.000 0.920 286 S CB -0.047 63.129 63.200 -0.040 0.000 0.882 286 S HN 0.665 nan 8.310 nan 0.000 0.567 287 H N 0.855 119.900 119.070 -0.043 0.000 2.457 287 H HA 0.801 5.380 4.556 0.038 0.000 0.335 287 H C -0.619 174.684 175.328 -0.041 0.000 1.115 287 H CA -0.965 55.056 56.048 -0.046 0.000 1.219 287 H CB 0.822 30.558 29.762 -0.042 0.000 1.471 287 H HN 0.140 nan 8.280 nan 0.000 0.491 288 K N 2.241 122.611 120.400 -0.049 0.000 2.185 288 K HA 0.662 5.005 4.320 0.038 0.000 0.269 288 K C -0.486 176.088 176.600 -0.044 0.000 0.987 288 K CA 0.068 56.331 56.287 -0.041 0.000 0.865 288 K CB 1.117 33.590 32.500 -0.044 0.000 1.090 288 K HN 0.861 nan 8.250 nan 0.000 0.450 289 A N 6.051 128.851 122.820 -0.033 0.000 2.322 289 A HA 0.381 4.724 4.320 0.038 0.000 0.327 289 A C -0.595 176.970 177.584 -0.031 0.000 1.394 289 A CA -0.744 51.272 52.037 -0.035 0.000 0.921 289 A CB -0.246 18.738 19.000 -0.028 0.000 1.153 289 A HN 0.798 nan 8.150 nan 0.000 0.523 290 L N 2.241 123.438 121.223 -0.044 0.000 2.513 290 L HA 0.075 4.438 4.340 0.038 0.000 0.272 290 L C 1.281 178.137 176.870 -0.024 0.000 1.187 290 L CA 0.050 54.868 54.840 -0.036 0.000 0.895 290 L CB 0.905 42.926 42.059 -0.063 0.000 1.147 290 L HN 0.762 nan 8.230 nan 0.000 0.483 291 S N 1.891 117.589 115.700 -0.005 0.000 2.585 291 S HA 0.010 4.503 4.470 0.038 0.000 0.273 291 S C 0.984 175.582 174.600 -0.003 0.000 1.339 291 S CA -0.700 57.500 58.200 0.001 0.000 1.028 291 S CB 0.844 64.055 63.200 0.019 0.000 0.906 291 S HN 0.653 nan 8.310 nan 0.000 0.528 292 D N 1.843 122.237 120.400 -0.011 0.000 2.106 292 D HA -0.130 4.533 4.640 0.038 0.000 0.191 292 D C 1.732 178.028 176.300 -0.007 0.000 0.997 292 D CA 1.248 55.236 54.000 -0.020 0.000 0.834 292 D CB -0.294 40.487 40.800 -0.031 0.000 0.956 292 D HN 0.440 nan 8.370 nan 0.000 0.448 293 L N 1.228 122.453 121.223 0.003 0.000 2.201 293 L HA -0.113 4.250 4.340 0.038 0.000 0.212 293 L C 1.990 178.936 176.870 0.127 0.000 1.105 293 L CA 1.494 56.350 54.840 0.026 0.000 0.775 293 L CB -0.419 41.656 42.059 0.027 0.000 0.913 293 L HN 0.055 nan 8.230 nan 0.000 0.440 294 E N -0.976 119.283 120.200 0.098 0.000 2.150 294 E HA -0.228 4.145 4.350 0.038 0.000 0.193 294 E C 2.200 178.850 176.600 0.083 0.000 0.985 294 E CA 1.054 57.518 56.400 0.106 0.000 0.814 294 E CB -0.202 29.538 29.700 0.066 0.000 0.752 294 E HN 0.472 nan 8.360 nan 0.000 0.466 295 L N 0.805 122.051 121.223 0.038 0.000 2.093 295 L HA -0.149 4.214 4.340 0.038 0.000 0.208 295 L C 2.202 179.115 176.870 0.071 0.000 1.085 295 L CA 0.797 55.640 54.840 0.005 0.000 0.755 295 L CB 0.070 42.107 42.059 -0.037 0.000 0.904 295 L HN -0.031 nan 8.230 nan 0.000 0.435 296 V N 0.074 120.045 119.914 0.095 0.000 2.358 296 V HA -0.243 3.900 4.120 0.038 0.000 0.246 296 V C 2.803 179.046 176.094 0.250 0.000 1.047 296 V CA 1.469 63.853 62.300 0.140 0.000 1.035 296 V CB -1.113 30.743 31.823 0.054 0.000 0.658 296 V HN 0.587 nan 8.190 nan 0.000 0.452 297 A N 0.110 123.103 122.820 0.287 0.000 1.859 297 A HA -0.289 4.054 4.320 0.038 0.000 0.217 297 A C 2.190 179.903 177.584 0.215 0.000 1.198 297 A CA 2.041 54.230 52.037 0.254 0.000 0.629 297 A CB -0.610 18.511 19.000 0.202 0.000 0.830 297 A HN 0.547 nan 8.150 nan 0.000 0.446 298 Q N 0.351 120.276 119.800 0.209 0.000 2.096 298 Q HA -0.125 4.238 4.340 0.038 0.000 0.204 298 Q C 2.370 178.612 176.000 0.403 0.000 0.982 298 Q CA 1.850 57.813 55.803 0.268 0.000 0.850 298 Q CB -1.107 27.731 28.738 0.168 0.000 0.901 298 Q HN 0.665 nan 8.270 nan 0.000 0.422 299 S N 1.011 116.960 115.700 0.414 0.000 2.382 299 S HA -0.076 4.417 4.470 0.038 0.000 0.228 299 S C 2.102 176.996 174.600 0.490 0.000 1.027 299 S CA 0.956 59.516 58.200 0.600 0.000 0.991 299 S CB -0.249 63.273 63.200 0.536 0.000 0.823 299 S HN 0.299 nan 8.310 nan 0.000 0.469 300 I N 1.295 122.065 120.570 0.334 0.000 2.252 300 I HA -0.141 4.052 4.170 0.038 0.000 0.245 300 I C 1.994 178.277 176.117 0.276 0.000 1.102 300 I CA 0.783 62.236 61.300 0.254 0.000 1.385 300 I CB -0.352 37.734 38.000 0.143 0.000 1.064 300 I HN 0.233 nan 8.210 nan 0.000 0.414 301 I N 0.462 121.200 120.570 0.280 0.000 2.127 301 I HA -0.310 3.883 4.170 0.038 0.000 0.241 301 I C 2.554 178.905 176.117 0.389 0.000 1.075 301 I CA 2.052 63.538 61.300 0.310 0.000 1.334 301 I CB -1.218 36.982 38.000 0.334 0.000 1.040 301 I HN 0.131 nan 8.210 nan 0.000 0.405 302 F N 0.960 120.996 119.950 0.143 0.000 2.186 302 F HA -0.136 4.413 4.527 0.037 0.000 0.299 302 F C 2.520 178.397 175.800 0.129 0.000 1.090 302 F CA 1.105 59.112 58.000 0.012 0.000 1.307 302 F CB -0.711 38.046 39.000 -0.405 0.000 1.019 302 F HN -0.022 nan 8.300 nan 0.000 0.489 303 I N -1.440 119.388 120.570 0.430 0.000 2.142 303 I HA -0.333 3.860 4.170 0.038 0.000 0.240 303 I C 2.374 178.696 176.117 0.342 0.000 1.078 303 I CA 1.419 62.953 61.300 0.390 0.000 1.343 303 I CB -0.582 37.661 38.000 0.406 0.000 1.046 303 I HN 0.038 nan 8.210 nan 0.000 0.405 304 F N 1.625 121.701 119.950 0.209 0.000 2.134 304 F HA -0.202 4.347 4.527 0.037 0.000 0.299 304 F C 2.451 178.355 175.800 0.174 0.000 1.097 304 F CA 1.368 59.490 58.000 0.203 0.000 1.264 304 F CB -0.271 38.815 39.000 0.142 0.000 1.001 304 F HN -0.001 nan 8.300 nan 0.000 0.479 305 A N 0.298 123.243 122.820 0.208 0.000 1.902 305 A HA -0.052 4.291 4.320 0.038 0.000 0.217 305 A C 2.489 180.050 177.584 -0.039 0.000 1.181 305 A CA 1.682 53.741 52.037 0.036 0.000 0.623 305 A CB -1.801 17.191 19.000 -0.014 0.000 0.818 305 A HN 0.501 nan 8.150 nan 0.000 0.443 306 G N -1.543 107.277 108.800 0.035 0.000 2.421 306 G HA2 -0.254 3.729 3.960 0.038 0.000 0.216 306 G HA3 -0.254 3.729 3.960 0.038 0.000 0.216 306 G C 1.568 176.500 174.900 0.054 0.000 1.171 306 G CA 1.324 46.482 45.100 0.097 0.000 0.775 306 G HN 0.644 nan 8.290 nan 0.000 0.543 307 Y N 1.270 121.532 120.300 -0.063 0.000 2.092 307 Y HA -0.050 4.523 4.550 0.038 0.000 0.282 307 Y C 2.849 178.636 175.900 -0.189 0.000 1.126 307 Y CA 2.250 60.293 58.100 -0.095 0.000 1.111 307 Y CB -0.234 38.188 38.460 -0.064 0.000 0.987 307 Y HN 0.256 nan 8.280 nan 0.000 0.489 308 E N -0.111 119.713 120.200 -0.627 0.000 2.047 308 E HA -0.155 4.218 4.350 0.038 0.000 0.191 308 E C 2.312 178.613 176.600 -0.498 0.000 0.987 308 E CA 2.202 58.119 56.400 -0.805 0.000 0.799 308 E CB -0.806 28.306 29.700 -0.980 0.000 0.752 308 E HN 0.470 nan 8.360 nan 0.000 0.449 309 T N -0.746 113.603 114.554 -0.342 0.000 2.737 309 T HA -0.106 4.266 4.350 0.038 0.000 0.265 309 T C 1.698 176.283 174.700 -0.191 0.000 1.038 309 T CA 2.061 64.041 62.100 -0.199 0.000 1.144 309 T CB -0.504 68.291 68.868 -0.121 0.000 0.866 309 T HN 0.299 nan 8.240 nan 0.000 0.434 310 T N 1.728 116.162 114.554 -0.200 0.000 2.701 310 T HA -0.108 4.265 4.350 0.038 0.000 0.263 310 T C 2.426 176.988 174.700 -0.230 0.000 1.040 310 T CA 1.667 63.656 62.100 -0.186 0.000 1.147 310 T CB -0.595 68.185 68.868 -0.147 0.000 0.865 310 T HN 0.594 nan 8.240 nan 0.000 0.426 311 S N 1.646 117.192 115.700 -0.255 0.000 2.370 311 S HA -0.134 4.359 4.470 0.038 0.000 0.226 311 S C 2.337 176.758 174.600 -0.299 0.000 1.033 311 S CA 1.507 59.560 58.200 -0.246 0.000 1.011 311 S CB -0.829 62.198 63.200 -0.288 0.000 0.852 311 S HN 0.314 nan 8.310 nan 0.000 0.457 312 S N 1.224 116.737 115.700 -0.311 0.000 2.353 312 S HA -0.051 4.442 4.470 0.038 0.000 0.222 312 S C 1.978 176.400 174.600 -0.298 0.000 1.035 312 S CA 1.441 59.442 58.200 -0.331 0.000 1.025 312 S CB -0.655 62.426 63.200 -0.198 0.000 0.902 312 S HN 0.451 nan 8.310 nan 0.000 0.440 313 V N 1.975 121.819 119.914 -0.118 0.000 2.407 313 V HA -0.140 4.003 4.120 0.038 0.000 0.248 313 V C 2.143 178.141 176.094 -0.160 0.000 1.055 313 V CA 1.390 63.688 62.300 -0.002 0.000 1.049 313 V CB -0.685 31.109 31.823 -0.049 0.000 0.662 313 V HN 0.398 nan 8.190 nan 0.000 0.455 314 L N -0.335 120.678 121.223 -0.350 0.000 2.046 314 L HA -0.154 4.209 4.340 0.038 0.000 0.208 314 L C 2.659 179.215 176.870 -0.524 0.000 1.077 314 L CA 1.660 56.139 54.840 -0.601 0.000 0.747 314 L CB -0.588 40.804 42.059 -1.112 0.000 0.896 314 L HN 0.298 nan 8.230 nan 0.000 0.432 315 S N -0.424 115.024 115.700 -0.419 0.000 2.370 315 S HA -0.165 4.328 4.470 0.038 0.000 0.226 315 S C 1.797 176.202 174.600 -0.325 0.000 1.033 315 S CA 1.475 59.488 58.200 -0.310 0.000 1.011 315 S CB -0.398 62.563 63.200 -0.397 0.000 0.852 315 S HN 0.275 nan 8.310 nan 0.000 0.457 316 F N 1.199 120.960 119.950 -0.314 0.000 2.113 316 F HA -0.029 4.522 4.527 0.039 0.000 0.297 316 F C 2.133 177.792 175.800 -0.235 0.000 1.103 316 F CA 0.759 58.508 58.000 -0.417 0.000 1.248 316 F CB -0.381 38.239 39.000 -0.633 0.000 0.999 316 F HN 0.140 nan 8.300 nan 0.000 0.475 317 I N -0.614 119.936 120.570 -0.034 0.000 2.179 317 I HA -0.331 3.862 4.170 0.038 0.000 0.242 317 I C 2.357 178.399 176.117 -0.126 0.000 1.088 317 I CA 0.971 62.224 61.300 -0.080 0.000 1.357 317 I CB -0.365 37.554 38.000 -0.135 0.000 1.051 317 I HN 0.130 nan 8.210 nan 0.000 0.409 318 M N -0.350 119.147 119.600 -0.171 0.000 2.117 318 M HA -0.238 4.265 4.480 0.038 0.000 0.262 318 M C 2.419 178.664 176.300 -0.091 0.000 1.065 318 M CA 1.778 56.959 55.300 -0.199 0.000 1.114 318 M CB -1.519 30.938 32.600 -0.237 0.000 1.361 318 M HN 0.250 nan 8.290 nan 0.000 0.408 319 Y N 1.963 122.183 120.300 -0.133 0.000 2.069 319 Y HA -0.284 4.289 4.550 0.038 0.000 0.278 319 Y C 2.288 178.133 175.900 -0.092 0.000 1.175 319 Y CA 2.080 60.128 58.100 -0.086 0.000 1.134 319 Y CB -0.208 38.201 38.460 -0.085 0.000 0.965 319 Y HN 0.238 nan 8.280 nan 0.000 0.498 320 E N 0.396 120.508 120.200 -0.147 0.000 2.051 320 E HA -0.206 4.167 4.350 0.038 0.000 0.192 320 E C 2.404 178.811 176.600 -0.321 0.000 0.991 320 E CA 1.568 57.693 56.400 -0.458 0.000 0.799 320 E CB -0.621 28.446 29.700 -1.055 0.000 0.748 320 E HN 0.574 nan 8.360 nan 0.000 0.449 321 L N 0.354 121.456 121.223 -0.201 0.000 2.046 321 L HA -0.173 4.190 4.340 0.038 0.000 0.208 321 L C 2.527 179.391 176.870 -0.011 0.000 1.077 321 L CA 1.270 56.082 54.840 -0.046 0.000 0.747 321 L CB -0.535 41.501 42.059 -0.039 0.000 0.896 321 L HN 0.071 nan 8.230 nan 0.000 0.432 322 A N -0.779 122.001 122.820 -0.066 0.000 1.969 322 A HA -0.142 4.201 4.320 0.038 0.000 0.218 322 A C 2.269 179.771 177.584 -0.138 0.000 1.169 322 A CA 1.975 53.986 52.037 -0.044 0.000 0.635 322 A CB -0.664 18.327 19.000 -0.014 0.000 0.810 322 A HN 0.381 nan 8.150 nan 0.000 0.445 323 T N -0.689 113.701 114.554 -0.273 0.000 3.055 323 T HA 0.012 4.385 4.350 0.038 0.000 0.265 323 T C -0.052 174.401 174.700 -0.413 0.000 1.111 323 T CA 1.097 62.974 62.100 -0.371 0.000 1.118 323 T CB -0.259 68.278 68.868 -0.551 0.000 0.909 323 T HN 0.641 nan 8.240 nan 0.000 0.501 324 H N 0.397 119.401 119.070 -0.110 0.000 2.423 324 H HA 0.257 4.836 4.556 0.039 0.000 0.237 324 H C -1.917 173.437 175.328 0.043 0.000 1.391 324 H CA -2.168 53.884 56.048 0.008 0.000 1.453 324 H CB 1.066 30.887 29.762 0.099 0.000 1.484 324 H HN 0.002 nan 8.280 nan 0.000 0.505 325 P HA -0.204 nan 4.420 nan 0.000 0.218 325 P C 0.921 178.286 177.300 0.109 0.000 1.148 325 P CA 1.240 64.390 63.100 0.083 0.000 0.822 325 P CB 0.561 32.286 31.700 0.042 0.000 0.784 326 D N 0.339 120.811 120.400 0.119 0.000 2.133 326 D HA -0.139 4.524 4.640 0.038 0.000 0.192 326 D C 1.956 178.353 176.300 0.161 0.000 1.001 326 D CA 1.224 55.298 54.000 0.123 0.000 0.844 326 D CB -1.282 39.596 40.800 0.129 0.000 0.944 326 D HN 0.104 nan 8.370 nan 0.000 0.447 327 V N 0.843 120.902 119.914 0.242 0.000 2.407 327 V HA -0.201 3.942 4.120 0.038 0.000 0.245 327 V C 2.833 179.104 176.094 0.296 0.000 1.041 327 V CA 1.548 64.044 62.300 0.326 0.000 1.040 327 V CB -0.773 31.280 31.823 0.384 0.000 0.671 327 V HN 0.194 nan 8.190 nan 0.000 0.455 328 Q N -0.135 119.791 119.800 0.210 0.000 2.124 328 Q HA -0.297 4.066 4.340 0.038 0.000 0.202 328 Q C 2.345 178.432 176.000 0.145 0.000 0.977 328 Q CA 2.090 57.992 55.803 0.164 0.000 0.850 328 Q CB -0.069 28.750 28.738 0.134 0.000 0.901 328 Q HN 0.736 nan 8.270 nan 0.000 0.429 329 Q N 0.361 120.234 119.800 0.121 0.000 2.046 329 Q HA -0.209 4.154 4.340 0.038 0.000 0.200 329 Q C 2.006 178.040 176.000 0.057 0.000 0.975 329 Q CA 1.604 57.454 55.803 0.079 0.000 0.836 329 Q CB -0.011 28.761 28.738 0.057 0.000 0.896 329 Q HN 0.188 nan 8.270 nan 0.000 0.428 330 K N 0.158 120.586 120.400 0.046 0.000 2.148 330 K HA -0.128 4.215 4.320 0.038 0.000 0.204 330 K C 2.119 178.707 176.600 -0.019 0.000 1.050 330 K CA 0.799 57.033 56.287 -0.088 0.000 0.942 330 K CB -0.105 32.210 32.500 -0.308 0.000 0.724 330 K HN 0.292 nan 8.250 nan 0.000 0.446 331 L N 0.919 122.273 121.223 0.219 0.000 1.994 331 L HA -0.246 4.117 4.340 0.038 0.000 0.208 331 L C 2.476 179.426 176.870 0.133 0.000 1.071 331 L CA 1.464 56.473 54.840 0.281 0.000 0.745 331 L CB -0.231 41.984 42.059 0.260 0.000 0.892 331 L HN 0.332 nan 8.230 nan 0.000 0.431 332 Q N -0.287 119.575 119.800 0.104 0.000 2.077 332 Q HA -0.308 4.055 4.340 0.038 0.000 0.206 332 Q C 2.008 178.034 176.000 0.042 0.000 0.989 332 Q CA 2.394 58.240 55.803 0.071 0.000 0.853 332 Q CB -0.091 28.689 28.738 0.069 0.000 0.907 332 Q HN 0.540 nan 8.270 nan 0.000 0.418 333 E N 0.060 120.274 120.200 0.025 0.000 2.153 333 E HA -0.231 4.142 4.350 0.038 0.000 0.194 333 E C 1.857 178.457 176.600 -0.001 0.000 0.988 333 E CA 1.039 57.439 56.400 0.000 0.000 0.811 333 E CB 0.003 29.689 29.700 -0.024 0.000 0.746 333 E HN 0.380 nan 8.360 nan 0.000 0.466 334 E N 1.029 121.235 120.200 0.009 0.000 2.047 334 E HA -0.184 4.189 4.350 0.038 0.000 0.191 334 E C 2.065 178.682 176.600 0.027 0.000 0.987 334 E CA 0.855 57.266 56.400 0.019 0.000 0.799 334 E CB -0.042 29.692 29.700 0.058 0.000 0.752 334 E HN 0.193 nan 8.360 nan 0.000 0.449 335 I N 1.751 122.344 120.570 0.039 0.000 2.163 335 I HA -0.291 3.902 4.170 0.038 0.000 0.243 335 I C 1.972 178.101 176.117 0.020 0.000 1.085 335 I CA 1.449 62.768 61.300 0.032 0.000 1.347 335 I CB -0.320 37.703 38.000 0.039 0.000 1.044 335 I HN 0.154 nan 8.210 nan 0.000 0.408 336 D N 0.960 121.370 120.400 0.017 0.000 2.144 336 D HA -0.143 4.520 4.640 0.038 0.000 0.199 336 D C 2.238 178.541 176.300 0.005 0.000 0.984 336 D CA 1.537 55.542 54.000 0.009 0.000 0.834 336 D CB -0.186 40.617 40.800 0.005 0.000 0.955 336 D HN 0.386 nan 8.370 nan 0.000 0.465 337 A N 0.541 123.364 122.820 0.005 0.000 1.898 337 A HA -0.104 4.239 4.320 0.038 0.000 0.216 337 A C 2.460 180.046 177.584 0.005 0.000 1.181 337 A CA 1.086 53.124 52.037 0.002 0.000 0.620 337 A CB -0.525 18.474 19.000 -0.003 0.000 0.819 337 A HN 0.162 nan 8.150 nan 0.000 0.442 338 V N -0.747 119.172 119.914 0.008 0.000 2.719 338 V HA 0.057 4.200 4.120 0.038 0.000 0.252 338 V C 0.755 176.856 176.094 0.011 0.000 1.065 338 V CA 0.958 63.264 62.300 0.010 0.000 1.086 338 V CB -0.488 31.342 31.823 0.011 0.000 0.700 338 V HN 0.440 nan 8.190 nan 0.000 0.467 339 L N 1.633 122.862 121.223 0.011 0.000 2.495 339 L HA 0.403 4.766 4.340 0.038 0.000 0.248 339 L C -2.711 174.164 176.870 0.008 0.000 1.229 339 L CA -1.580 53.267 54.840 0.012 0.000 0.942 339 L CB 1.286 43.354 42.059 0.015 0.000 1.242 339 L HN 0.097 nan 8.230 nan 0.000 0.484 340 P HA -0.000 nan 4.420 nan 0.000 0.269 340 P C -0.058 177.243 177.300 0.001 0.000 1.215 340 P CA -0.261 62.841 63.100 0.003 0.000 0.780 340 P CB 0.288 31.989 31.700 0.002 0.000 0.898 341 N N 3.144 121.842 118.700 -0.003 0.000 2.837 341 N HA -0.297 4.466 4.740 0.038 0.000 0.293 341 N C -0.291 175.215 175.510 -0.006 0.000 1.035 341 N CA 0.863 53.909 53.050 -0.006 0.000 0.831 341 N CB -1.204 37.279 38.487 -0.007 0.000 0.957 341 N HN 0.536 nan 8.380 nan 0.000 0.594 342 K N -2.758 117.637 120.400 -0.008 0.000 3.077 342 K HA -0.200 4.143 4.320 0.038 0.000 0.264 342 K C 0.236 176.837 176.600 0.002 0.000 1.008 342 K CA 1.096 57.379 56.287 -0.008 0.000 0.740 342 K CB -1.910 30.578 32.500 -0.019 0.000 1.273 342 K HN 0.908 nan 8.250 nan 0.000 0.477 343 A N 1.743 124.567 122.820 0.007 0.000 2.445 343 A HA 0.318 4.661 4.320 0.038 0.000 0.242 343 A C -1.622 175.974 177.584 0.020 0.000 1.075 343 A CA -0.747 51.298 52.037 0.013 0.000 0.777 343 A CB 0.008 19.016 19.000 0.014 0.000 1.013 343 A HN 0.085 nan 8.150 nan 0.000 0.493 344 P HA 0.212 nan 4.420 nan 0.000 0.269 344 P C -2.635 174.689 177.300 0.040 0.000 1.209 344 P CA -0.953 62.168 63.100 0.035 0.000 0.776 344 P CB -0.082 31.641 31.700 0.037 0.000 0.876 345 P HA 0.168 nan 4.420 nan 0.000 0.274 345 P C -0.338 177.001 177.300 0.064 0.000 1.231 345 P CA 0.166 63.296 63.100 0.049 0.000 0.790 345 P CB 0.549 32.280 31.700 0.052 0.000 0.951 346 T N -2.222 112.371 114.554 0.065 0.000 2.883 346 T HA 0.226 4.599 4.350 0.038 0.000 0.296 346 T C 0.739 175.509 174.700 0.118 0.000 1.117 346 T CA -0.567 61.592 62.100 0.098 0.000 1.006 346 T CB 0.810 69.731 68.868 0.089 0.000 1.191 346 T HN 0.334 nan 8.240 nan 0.000 0.508 347 Y N 1.597 121.919 120.300 0.037 0.000 2.102 347 Y HA -0.257 4.315 4.550 0.037 0.000 0.280 347 Y C 1.750 177.665 175.900 0.025 0.000 1.178 347 Y CA 2.703 60.824 58.100 0.034 0.000 1.146 347 Y CB -0.467 38.017 38.460 0.039 0.000 0.968 347 Y HN 0.825 nan 8.280 nan 0.000 0.504 348 D N -1.272 119.192 120.400 0.107 0.000 2.117 348 D HA -0.162 4.501 4.640 0.038 0.000 0.198 348 D C 2.250 178.532 176.300 -0.031 0.000 0.982 348 D CA 2.053 56.067 54.000 0.024 0.000 0.828 348 D CB -0.743 40.108 40.800 0.085 0.000 0.967 348 D HN 0.513 nan 8.370 nan 0.000 0.464 349 T N -0.864 113.688 114.554 -0.003 0.000 2.788 349 T HA -0.122 4.250 4.350 0.038 0.000 0.268 349 T C 2.139 176.818 174.700 -0.036 0.000 1.044 349 T CA 0.703 62.797 62.100 -0.009 0.000 1.139 349 T CB -0.827 68.049 68.868 0.012 0.000 0.867 349 T HN 0.013 nan 8.240 nan 0.000 0.454 350 V N 1.730 121.607 119.914 -0.063 0.000 2.332 350 V HA -0.082 4.061 4.120 0.038 0.000 0.248 350 V C 2.694 178.716 176.094 -0.121 0.000 1.055 350 V CA 1.511 63.758 62.300 -0.089 0.000 1.038 350 V CB -0.726 31.030 31.823 -0.113 0.000 0.651 350 V HN 0.473 nan 8.190 nan 0.000 0.450 351 L N -0.711 120.407 121.223 -0.174 0.000 2.291 351 L HA -0.152 4.211 4.340 0.038 0.000 0.214 351 L C 2.507 179.328 176.870 -0.081 0.000 1.120 351 L CA 1.116 55.861 54.840 -0.158 0.000 0.799 351 L CB -0.462 41.470 42.059 -0.211 0.000 0.925 351 L HN 0.388 nan 8.230 nan 0.000 0.446 352 Q N -0.416 119.351 119.800 -0.056 0.000 2.369 352 Q HA -0.020 4.343 4.340 0.038 0.000 0.206 352 Q C 0.582 176.575 176.000 -0.011 0.000 0.963 352 Q CA 0.575 56.363 55.803 -0.024 0.000 0.894 352 Q CB 0.088 28.819 28.738 -0.012 0.000 0.965 352 Q HN 0.491 nan 8.270 nan 0.000 0.475 353 M N 1.032 120.622 119.600 -0.016 0.000 2.664 353 M HA 0.069 4.572 4.480 0.038 0.000 0.332 353 M C 0.370 176.681 176.300 0.018 0.000 1.354 353 M CA 0.107 55.412 55.300 0.009 0.000 1.399 353 M CB 0.530 33.133 32.600 0.006 0.000 1.224 353 M HN 0.111 nan 8.290 nan 0.000 0.479 354 E N 1.238 121.463 120.200 0.041 0.000 2.051 354 E HA -0.213 4.160 4.350 0.038 0.000 0.192 354 E C 1.422 178.072 176.600 0.083 0.000 0.991 354 E CA 1.536 57.966 56.400 0.050 0.000 0.799 354 E CB 0.033 29.769 29.700 0.060 0.000 0.748 354 E HN 0.690 nan 8.360 nan 0.000 0.449 355 Y N 0.953 121.243 120.300 -0.018 0.000 2.207 355 Y HA -0.267 4.306 4.550 0.039 0.000 0.287 355 Y C 2.299 178.184 175.900 -0.024 0.000 1.156 355 Y CA 0.852 58.942 58.100 -0.017 0.000 1.182 355 Y CB 0.041 38.497 38.460 -0.007 0.000 0.979 355 Y HN 0.072 nan 8.280 nan 0.000 0.521 356 L N 0.640 121.870 121.223 0.012 0.000 1.989 356 L HA -0.250 4.113 4.340 0.038 0.000 0.211 356 L C 1.919 178.713 176.870 -0.126 0.000 1.071 356 L CA 2.501 57.301 54.840 -0.066 0.000 0.749 356 L CB -1.124 40.922 42.059 -0.023 0.000 0.890 356 L HN 0.247 nan 8.230 nan 0.000 0.431 357 D N -1.034 119.306 120.400 -0.101 0.000 2.133 357 D HA -0.267 4.396 4.640 0.038 0.000 0.195 357 D C 2.161 178.341 176.300 -0.199 0.000 0.997 357 D CA 2.019 55.944 54.000 -0.124 0.000 0.840 357 D CB -0.077 40.673 40.800 -0.084 0.000 0.947 357 D HN 0.417 nan 8.370 nan 0.000 0.452 358 M N -0.758 118.719 119.600 -0.205 0.000 2.117 358 M HA -0.145 4.357 4.480 0.038 0.000 0.262 358 M C 2.251 178.328 176.300 -0.372 0.000 1.065 358 M CA 0.864 56.004 55.300 -0.267 0.000 1.114 358 M CB -0.128 32.343 32.600 -0.215 0.000 1.361 358 M HN -0.023 nan 8.290 nan 0.000 0.408 359 V N -0.399 119.284 119.914 -0.386 0.000 2.307 359 V HA -0.201 3.942 4.120 0.038 0.000 0.245 359 V C 2.337 178.347 176.094 -0.140 0.000 1.045 359 V CA 1.521 63.659 62.300 -0.270 0.000 1.024 359 V CB -0.621 31.070 31.823 -0.220 0.000 0.651 359 V HN 0.272 nan 8.190 nan 0.000 0.449 360 V N 0.635 120.452 119.914 -0.162 0.000 2.295 360 V HA -0.248 3.895 4.120 0.038 0.000 0.246 360 V C 2.354 178.347 176.094 -0.169 0.000 1.049 360 V CA 2.191 64.418 62.300 -0.122 0.000 1.024 360 V CB -0.855 30.903 31.823 -0.108 0.000 0.648 360 V HN 0.558 nan 8.190 nan 0.000 0.447 361 N N -0.005 118.494 118.700 -0.334 0.000 2.166 361 N HA -0.184 4.579 4.740 0.038 0.000 0.186 361 N C 1.921 177.005 175.510 -0.710 0.000 1.019 361 N CA 1.499 54.191 53.050 -0.597 0.000 0.856 361 N CB -0.230 37.605 38.487 -1.087 0.000 0.993 361 N HN 0.579 nan 8.380 nan 0.000 0.426 362 E N 0.240 120.117 120.200 -0.538 0.000 2.208 362 E HA -0.006 4.367 4.350 0.038 0.000 0.193 362 E C 1.437 178.023 176.600 -0.022 0.000 0.988 362 E CA 1.026 57.273 56.400 -0.255 0.000 0.828 362 E CB -0.151 29.321 29.700 -0.379 0.000 0.763 362 E HN 0.203 nan 8.360 nan 0.000 0.478 363 T N 0.456 115.070 114.554 0.100 0.000 2.857 363 T HA -0.007 4.366 4.350 0.038 0.000 0.266 363 T C 1.712 176.482 174.700 0.116 0.000 1.048 363 T CA 0.936 63.179 62.100 0.238 0.000 1.139 363 T CB -0.130 68.858 68.868 0.200 0.000 0.874 363 T HN 0.131 nan 8.240 nan 0.000 0.455 364 L N 0.545 121.765 121.223 -0.004 0.000 2.291 364 L HA 0.057 4.420 4.340 0.038 0.000 0.214 364 L C 2.802 179.635 176.870 -0.061 0.000 1.120 364 L CA 0.800 55.599 54.840 -0.068 0.000 0.799 364 L CB -0.405 41.558 42.059 -0.161 0.000 0.925 364 L HN 0.150 nan 8.230 nan 0.000 0.446 365 R N 0.759 121.233 120.500 -0.043 0.000 2.070 365 R HA -0.159 4.204 4.340 0.038 0.000 0.233 365 R C 2.197 178.334 176.300 -0.273 0.000 1.137 365 R CA 1.524 57.493 56.100 -0.218 0.000 0.945 365 R CB -0.176 29.910 30.300 -0.357 0.000 0.845 365 R HN 0.312 nan 8.270 nan 0.000 0.430 366 L N -0.471 120.529 121.223 -0.371 0.000 2.313 366 L HA 0.028 4.391 4.340 0.038 0.000 0.214 366 L C 0.146 176.328 176.870 -1.147 0.000 1.119 366 L CA 0.572 54.953 54.840 -0.764 0.000 0.809 366 L CB 0.242 41.845 42.059 -0.760 0.000 0.933 366 L HN 0.114 nan 8.230 nan 0.000 0.449 367 F N -0.007 119.764 119.950 -0.298 0.000 2.794 367 F HA 0.291 4.841 4.527 0.038 0.000 0.353 367 F C -2.380 173.262 175.800 -0.263 0.000 1.371 367 F CA -1.897 55.862 58.000 -0.403 0.000 1.173 367 F CB 0.666 39.111 39.000 -0.926 0.000 1.693 367 F HN -0.204 nan 8.300 nan 0.000 0.606 368 P HA 0.170 nan 4.420 nan 0.000 0.273 368 P C 1.129 178.391 177.300 -0.064 0.000 1.428 368 P CA -0.106 62.932 63.100 -0.104 0.000 0.995 368 P CB 0.241 31.840 31.700 -0.168 0.000 1.286 369 I N 1.054 121.583 120.570 -0.068 0.000 2.423 369 I HA -0.192 4.001 4.170 0.038 0.000 0.254 369 I C 1.736 177.841 176.117 -0.020 0.000 1.151 369 I CA 1.529 62.828 61.300 -0.001 0.000 1.421 369 I CB -0.850 37.161 38.000 0.017 0.000 1.079 369 I HN 0.122 nan 8.210 nan 0.000 0.431 370 A N 0.352 123.129 122.820 -0.073 0.000 2.123 370 A HA 0.145 4.488 4.320 0.038 0.000 0.214 370 A C 1.987 179.512 177.584 -0.097 0.000 1.152 370 A CA 1.239 53.227 52.037 -0.082 0.000 0.728 370 A CB -0.359 18.582 19.000 -0.098 0.000 0.814 370 A HN 0.621 nan 8.150 nan 0.000 0.464 371 M N -3.704 115.850 119.600 -0.076 0.000 2.801 371 M HA -0.292 4.211 4.480 0.038 0.000 0.146 371 M C 0.367 176.615 176.300 -0.086 0.000 0.699 371 M CA 2.090 57.358 55.300 -0.052 0.000 0.556 371 M CB -0.906 31.654 32.600 -0.065 0.000 2.050 371 M HN 0.413 nan 8.290 nan 0.000 0.258 372 R N -0.126 120.301 120.500 -0.121 0.000 2.744 372 R HA 0.746 5.109 4.340 0.038 0.000 0.279 372 R C -1.495 174.729 176.300 -0.127 0.000 0.977 372 R CA -0.717 55.313 56.100 -0.118 0.000 0.906 372 R CB 1.564 31.797 30.300 -0.112 0.000 1.197 372 R HN -0.041 nan 8.270 nan 0.000 0.463 373 L N 2.104 123.254 121.223 -0.123 0.000 2.325 373 L HA 0.473 4.836 4.340 0.038 0.000 0.279 373 L C 0.112 176.912 176.870 -0.117 0.000 1.054 373 L CA -0.203 54.568 54.840 -0.115 0.000 0.804 373 L CB 1.164 43.157 42.059 -0.110 0.000 1.200 373 L HN 0.721 nan 8.230 nan 0.000 0.436 374 E N 2.204 122.338 120.200 -0.110 0.000 2.367 374 E HA 0.821 5.194 4.350 0.038 0.000 0.273 374 E C -1.155 175.385 176.600 -0.100 0.000 0.903 374 E CA -1.156 55.179 56.400 -0.108 0.000 0.764 374 E CB 2.555 32.200 29.700 -0.092 0.000 1.252 374 E HN 0.414 nan 8.360 nan 0.000 0.446 375 R N 1.324 121.770 120.500 -0.089 0.000 2.536 375 R HA 0.312 4.675 4.340 0.038 0.000 0.269 375 R C -1.576 174.745 176.300 0.034 0.000 1.113 375 R CA -0.564 55.513 56.100 -0.038 0.000 0.948 375 R CB 2.356 32.631 30.300 -0.043 0.000 1.237 375 R HN 0.462 nan 8.270 nan 0.000 0.441 376 V N 2.893 122.832 119.914 0.042 0.000 2.686 376 V HA 0.155 4.298 4.120 0.038 0.000 0.295 376 V C 0.184 176.343 176.094 0.108 0.000 1.055 376 V CA -0.562 61.768 62.300 0.050 0.000 1.050 376 V CB 1.379 33.206 31.823 0.006 0.000 0.984 376 V HN 0.811 nan 8.190 nan 0.000 0.482 377 C N 6.071 125.420 119.300 0.082 0.000 2.303 377 C HA 0.292 4.775 4.460 0.038 0.000 0.341 377 C C 1.655 176.561 174.990 -0.141 0.000 1.244 377 C CA -0.651 58.346 59.018 -0.035 0.000 1.765 377 C CB -0.713 27.061 27.740 0.057 0.000 2.379 377 C HN 0.999 nan 8.230 nan 0.000 0.530 378 K N 3.092 123.351 120.400 -0.236 0.000 2.366 378 K HA 0.012 4.355 4.320 0.038 0.000 0.198 378 K C 0.392 176.913 176.600 -0.132 0.000 1.044 378 K CA 0.825 57.020 56.287 -0.154 0.000 0.973 378 K CB 0.107 32.520 32.500 -0.145 0.000 0.767 378 K HN 0.791 nan 8.250 nan 0.000 0.475 379 K N 0.002 120.299 120.400 -0.171 0.000 2.575 379 K HA 0.232 4.575 4.320 0.038 0.000 0.279 379 K C -1.768 174.768 176.600 -0.107 0.000 0.969 379 K CA -0.958 55.264 56.287 -0.109 0.000 0.868 379 K CB 1.142 33.587 32.500 -0.091 0.000 1.457 379 K HN -0.336 nan 8.250 nan 0.000 0.426 380 D N 0.954 121.339 120.400 -0.025 0.000 2.493 380 D HA 0.253 4.916 4.640 0.038 0.000 0.240 380 D C -0.947 175.380 176.300 0.045 0.000 1.142 380 D CA 0.291 54.316 54.000 0.042 0.000 0.872 380 D CB 1.216 42.177 40.800 0.267 0.000 1.173 380 D HN 0.375 nan 8.370 nan 0.000 0.467 381 V N 2.167 122.084 119.914 0.005 0.000 3.048 381 V HA 0.262 4.405 4.120 0.038 0.000 0.303 381 V C -1.383 174.781 176.094 0.117 0.000 1.214 381 V CA -0.755 61.575 62.300 0.049 0.000 0.984 381 V CB 2.402 34.206 31.823 -0.032 0.000 1.054 381 V HN 0.529 nan 8.190 nan 0.000 0.430 382 E N 4.804 125.091 120.200 0.145 0.000 2.114 382 E HA 0.599 4.972 4.350 0.038 0.000 0.266 382 E C -0.994 175.667 176.600 0.102 0.000 0.896 382 E CA -0.620 55.871 56.400 0.151 0.000 0.750 382 E CB 1.251 31.048 29.700 0.162 0.000 1.121 382 E HN 0.653 nan 8.360 nan 0.000 0.413 383 I N 1.671 122.295 120.570 0.091 0.000 2.406 383 I HA 0.437 4.630 4.170 0.038 0.000 0.290 383 I C -0.132 176.008 176.117 0.039 0.000 0.999 383 I CA -0.892 60.450 61.300 0.069 0.000 1.124 383 I CB 1.641 39.695 38.000 0.089 0.000 1.289 383 I HN 0.463 nan 8.210 nan 0.000 0.441 384 N N 4.894 123.610 118.700 0.027 0.000 2.707 384 N HA -0.257 4.506 4.740 0.038 0.000 0.253 384 N C 1.013 176.541 175.510 0.029 0.000 0.998 384 N CA 1.108 54.168 53.050 0.016 0.000 0.751 384 N CB -0.834 37.648 38.487 -0.008 0.000 0.920 384 N HN 1.379 nan 8.380 nan 0.000 0.539 385 G N -0.417 108.410 108.800 0.045 0.000 2.317 385 G HA2 -0.343 3.640 3.960 0.038 0.000 0.227 385 G HA3 -0.343 3.640 3.960 0.038 0.000 0.227 385 G C 0.031 174.978 174.900 0.078 0.000 1.042 385 G CA 0.447 45.580 45.100 0.054 0.000 0.623 385 G HN 0.447 nan 8.290 nan 0.000 0.509 386 M N 0.976 120.624 119.600 0.080 0.000 2.300 386 M HA 0.701 5.204 4.480 0.038 0.000 0.348 386 M C -0.390 176.002 176.300 0.153 0.000 1.151 386 M CA -1.159 54.206 55.300 0.108 0.000 1.046 386 M CB 1.198 33.838 32.600 0.067 0.000 1.647 386 M HN 0.222 nan 8.290 nan 0.000 0.451 387 F N 5.867 125.844 119.950 0.045 0.000 2.427 387 F HA 0.520 5.070 4.527 0.038 0.000 0.352 387 F C -1.224 174.612 175.800 0.060 0.000 1.100 387 F CA -0.284 57.745 58.000 0.047 0.000 1.191 387 F CB 0.477 39.500 39.000 0.038 0.000 1.128 387 F HN 0.425 nan 8.300 nan 0.000 0.533 388 I N 8.523 128.644 120.570 -0.749 0.000 2.447 388 I HA 0.316 4.509 4.170 0.038 0.000 0.287 388 I C -2.214 173.309 176.117 -0.989 0.000 1.023 388 I CA -2.292 58.613 61.300 -0.658 0.000 1.083 388 I CB 1.903 39.797 38.000 -0.175 0.000 1.245 388 I HN 0.447 nan 8.210 nan 0.000 0.434 389 P HA 0.060 nan 4.420 nan 0.000 0.274 389 P C -0.867 176.300 177.300 -0.221 0.000 1.246 389 P CA -0.575 62.240 63.100 -0.474 0.000 0.795 389 P CB 0.883 32.465 31.700 -0.197 0.000 1.006 390 K N 0.401 120.738 120.400 -0.106 0.000 2.368 390 K HA 0.281 4.624 4.320 0.038 0.000 0.282 390 K C 1.022 177.585 176.600 -0.062 0.000 1.035 390 K CA 0.686 56.927 56.287 -0.076 0.000 0.973 390 K CB -0.619 31.857 32.500 -0.039 0.000 0.957 390 K HN 0.795 nan 8.250 nan 0.000 0.474 391 G N 2.167 110.933 108.800 -0.056 0.000 2.217 391 G HA2 -0.243 3.740 3.960 0.038 0.000 0.246 391 G HA3 -0.243 3.740 3.960 0.038 0.000 0.246 391 G C 0.032 174.910 174.900 -0.037 0.000 0.990 391 G CA 0.035 45.112 45.100 -0.037 0.000 0.627 391 G HN 0.544 nan 8.290 nan 0.000 0.522 392 V N 1.406 121.288 119.914 -0.055 0.000 2.655 392 V HA 0.341 4.483 4.120 0.038 0.000 0.300 392 V C 1.198 177.276 176.094 -0.026 0.000 1.044 392 V CA -0.066 62.202 62.300 -0.054 0.000 1.095 392 V CB 1.710 33.489 31.823 -0.072 0.000 0.952 392 V HN 0.272 nan 8.190 nan 0.000 0.485 393 V N 6.684 126.572 119.914 -0.044 0.000 2.405 393 V HA 0.129 4.272 4.120 0.038 0.000 0.264 393 V C 0.234 176.273 176.094 -0.092 0.000 1.048 393 V CA -0.171 62.095 62.300 -0.056 0.000 0.966 393 V CB 1.310 33.091 31.823 -0.069 0.000 1.015 393 V HN 0.601 nan 8.190 nan 0.000 0.477 394 V N 7.311 127.174 119.914 -0.085 0.000 2.455 394 V HA 0.303 4.446 4.120 0.038 0.000 0.273 394 V C 0.283 176.264 176.094 -0.189 0.000 1.045 394 V CA -0.006 62.193 62.300 -0.168 0.000 0.976 394 V CB 1.225 32.897 31.823 -0.251 0.000 0.993 394 V HN 0.782 nan 8.190 nan 0.000 0.475 395 M N 7.022 126.494 119.600 -0.213 0.000 2.321 395 M HA 0.570 5.073 4.480 0.038 0.000 0.315 395 M C -1.292 174.883 176.300 -0.208 0.000 1.052 395 M CA -0.550 54.644 55.300 -0.176 0.000 0.936 395 M CB 1.628 34.162 32.600 -0.109 0.000 1.639 395 M HN 0.475 nan 8.290 nan 0.000 0.433 396 I N 8.296 128.763 120.570 -0.172 0.000 2.337 396 I HA 0.295 4.488 4.170 0.038 0.000 0.285 396 I C -1.907 174.129 176.117 -0.134 0.000 1.041 396 I CA -1.490 59.710 61.300 -0.167 0.000 1.199 396 I CB 1.329 39.240 38.000 -0.148 0.000 1.370 396 I HN 0.384 nan 8.210 nan 0.000 0.470 397 P HA 0.143 nan 4.420 nan 0.000 0.260 397 P C 0.325 177.570 177.300 -0.092 0.000 1.651 397 P CA -0.020 63.047 63.100 -0.054 0.000 1.139 397 P CB 0.819 32.542 31.700 0.037 0.000 1.756 398 S N 2.060 117.656 115.700 -0.173 0.000 2.356 398 S HA -0.202 4.291 4.470 0.038 0.000 0.223 398 S C 1.587 175.875 174.600 -0.521 0.000 1.032 398 S CA 0.877 58.837 58.200 -0.400 0.000 1.005 398 S CB -1.209 61.699 63.200 -0.487 0.000 0.867 398 S HN 0.402 nan 8.310 nan 0.000 0.449 399 Y N 2.493 122.564 120.300 -0.381 0.000 2.081 399 Y HA -0.282 4.291 4.550 0.038 0.000 0.280 399 Y C 2.515 178.338 175.900 -0.129 0.000 1.163 399 Y CA 1.406 59.357 58.100 -0.249 0.000 1.135 399 Y CB -0.777 37.598 38.460 -0.142 0.000 0.970 399 Y HN 0.228 nan 8.280 nan 0.000 0.498 400 A N -0.318 122.604 122.820 0.170 0.000 1.929 400 A HA -0.095 4.248 4.320 0.038 0.000 0.216 400 A C 2.237 179.878 177.584 0.095 0.000 1.176 400 A CA 1.581 53.711 52.037 0.156 0.000 0.628 400 A CB -1.012 18.095 19.000 0.178 0.000 0.816 400 A HN 0.545 nan 8.150 nan 0.000 0.444 401 L N -1.430 119.815 121.223 0.037 0.000 2.217 401 L HA -0.136 4.227 4.340 0.038 0.000 0.211 401 L C 2.219 179.309 176.870 0.368 0.000 1.107 401 L CA 1.005 55.928 54.840 0.138 0.000 0.783 401 L CB -0.634 41.455 42.059 0.049 0.000 0.919 401 L HN 0.528 nan 8.230 nan 0.000 0.442 402 H N -0.272 118.819 119.070 0.035 0.000 2.545 402 H HA -0.008 4.570 4.556 0.036 0.000 0.282 402 H C 1.215 176.234 175.328 -0.514 0.000 1.020 402 H CA 0.292 56.203 56.048 -0.228 0.000 1.243 402 H CB 0.316 29.857 29.762 -0.368 0.000 1.377 402 H HN 0.247 nan 8.280 nan 0.000 0.581 403 R N 0.487 120.967 120.500 -0.033 0.000 2.629 403 R HA 0.041 4.404 4.340 0.038 0.000 0.408 403 R C -0.621 175.816 176.300 0.227 0.000 1.057 403 R CA -0.236 55.851 56.100 -0.023 0.000 1.119 403 R CB 0.762 30.985 30.300 -0.128 0.000 1.403 403 R HN 0.062 nan 8.270 nan 0.000 0.576 404 D N 1.510 122.184 120.400 0.456 0.000 2.339 404 D HA 0.070 4.733 4.640 0.038 0.000 0.256 404 D C -1.639 174.899 176.300 0.397 0.000 1.214 404 D CA -2.313 51.963 54.000 0.461 0.000 0.877 404 D CB 1.565 42.721 40.800 0.592 0.000 1.111 404 D HN -0.081 nan 8.370 nan 0.000 0.478 405 P HA -0.128 nan 4.420 nan 0.000 0.223 405 P C 1.164 178.481 177.300 0.028 0.000 1.144 405 P CA 0.901 64.073 63.100 0.121 0.000 0.783 405 P CB 0.230 31.963 31.700 0.056 0.000 0.771 406 K N -1.007 119.375 120.400 -0.030 0.000 2.097 406 K HA -0.174 4.169 4.320 0.038 0.000 0.206 406 K C 1.287 177.623 176.600 -0.439 0.000 1.049 406 K CA 1.548 57.674 56.287 -0.269 0.000 0.933 406 K CB -0.272 31.991 32.500 -0.396 0.000 0.717 406 K HN 0.175 nan 8.250 nan 0.000 0.442 407 Y N -2.166 118.044 120.300 -0.151 0.000 2.524 407 Y HA 0.131 4.704 4.550 0.039 0.000 0.270 407 Y C -0.159 175.340 175.900 -0.669 0.000 1.094 407 Y CA -0.421 57.384 58.100 -0.492 0.000 1.276 407 Y CB 0.552 38.576 38.460 -0.726 0.000 1.130 407 Y HN 0.006 nan 8.280 nan 0.000 0.536 408 W N 1.022 122.368 121.300 0.077 0.000 2.499 408 W HA 0.419 5.102 4.660 0.038 0.000 0.320 408 W C -0.301 176.200 176.519 -0.031 0.000 1.010 408 W CA -1.397 55.942 57.345 -0.010 0.000 1.267 408 W CB 0.801 30.250 29.460 -0.018 0.000 1.316 408 W HN -0.285 nan 8.180 nan 0.000 0.431 409 T N -0.203 114.430 114.554 0.131 0.000 2.834 409 T HA 0.189 4.562 4.350 0.038 0.000 0.298 409 T C 0.329 175.074 174.700 0.075 0.000 0.966 409 T CA -0.066 62.074 62.100 0.067 0.000 1.141 409 T CB 0.526 69.404 68.868 0.016 0.000 0.905 409 T HN 0.636 nan 8.240 nan 0.000 0.535 410 E N 2.951 123.185 120.200 0.057 0.000 2.291 410 E HA -0.127 4.246 4.350 0.038 0.000 0.181 410 E C -1.731 174.893 176.600 0.040 0.000 1.480 410 E CA 0.241 56.667 56.400 0.043 0.000 0.674 410 E CB -0.607 29.111 29.700 0.031 0.000 1.108 410 E HN 0.678 nan 8.360 nan 0.000 0.357 411 P HA -0.184 nan 4.420 nan 0.000 0.222 411 P C 0.602 177.853 177.300 -0.082 0.000 1.147 411 P CA 1.353 64.455 63.100 0.003 0.000 0.790 411 P CB 0.285 32.014 31.700 0.049 0.000 0.780 412 E N -0.624 119.554 120.200 -0.036 0.000 2.371 412 E HA 0.014 4.387 4.350 0.038 0.000 0.194 412 E C 0.710 177.308 176.600 -0.004 0.000 1.012 412 E CA 0.557 56.933 56.400 -0.040 0.000 0.860 412 E CB -0.452 29.248 29.700 -0.001 0.000 0.811 412 E HN 0.205 nan 8.360 nan 0.000 0.502 413 K N 0.891 121.300 120.400 0.015 0.000 2.218 413 K HA 0.159 4.502 4.320 0.038 0.000 0.276 413 K C -0.544 176.091 176.600 0.059 0.000 1.022 413 K CA -0.641 55.687 56.287 0.068 0.000 0.946 413 K CB 0.575 33.110 32.500 0.058 0.000 1.000 413 K HN 0.052 nan 8.250 nan 0.000 0.468 414 F N 3.869 123.790 119.950 -0.048 0.000 2.404 414 F HA 0.218 4.768 4.527 0.039 0.000 0.359 414 F C -0.558 175.153 175.800 -0.148 0.000 1.134 414 F CA -0.435 57.473 58.000 -0.153 0.000 1.160 414 F CB 0.050 38.866 39.000 -0.306 0.000 1.186 414 F HN 0.279 nan 8.300 nan 0.000 0.526 415 L N 9.346 130.279 121.223 -0.483 0.000 2.492 415 L HA 0.309 4.672 4.340 0.038 0.000 0.258 415 L C -1.891 174.743 176.870 -0.393 0.000 1.028 415 L CA -1.485 53.148 54.840 -0.345 0.000 0.900 415 L CB 1.828 43.807 42.059 -0.133 0.000 1.191 415 L HN 0.373 nan 8.230 nan 0.000 0.459 416 P HA -0.156 nan 4.420 nan 0.000 0.226 416 P C 0.903 178.139 177.300 -0.106 0.000 1.146 416 P CA 0.930 63.806 63.100 -0.373 0.000 0.773 416 P CB 0.252 31.661 31.700 -0.485 0.000 0.772 417 E N -0.547 119.617 120.200 -0.061 0.000 2.418 417 E HA -0.092 4.281 4.350 0.038 0.000 0.197 417 E C 1.825 178.396 176.600 -0.049 0.000 1.026 417 E CA 0.532 56.929 56.400 -0.005 0.000 0.862 417 E CB -0.295 29.407 29.700 0.003 0.000 0.799 417 E HN 0.401 nan 8.360 nan 0.000 0.518 418 R N -0.208 120.229 120.500 -0.105 0.000 2.105 418 R HA -0.096 4.267 4.340 0.038 0.000 0.239 418 R C 1.436 177.514 176.300 -0.370 0.000 1.135 418 R CA 1.186 57.136 56.100 -0.249 0.000 0.967 418 R CB -0.234 29.850 30.300 -0.360 0.000 0.861 418 R HN 0.127 nan 8.270 nan 0.000 0.442 419 F N 0.807 120.684 119.950 -0.121 0.000 2.660 419 F HA 0.119 4.668 4.527 0.036 0.000 0.302 419 F C 1.026 176.777 175.800 -0.081 0.000 1.103 419 F CA -0.502 57.423 58.000 -0.126 0.000 1.340 419 F CB 0.093 38.983 39.000 -0.183 0.000 1.048 419 F HN -0.095 nan 8.300 nan 0.000 0.551 420 S N -0.503 115.233 115.700 0.059 0.000 2.584 420 S HA 0.036 4.529 4.470 0.038 0.000 0.270 420 S C 1.395 176.007 174.600 0.021 0.000 1.346 420 S CA -0.616 57.614 58.200 0.050 0.000 1.018 420 S CB 1.144 64.367 63.200 0.038 0.000 0.899 420 S HN 0.235 nan 8.310 nan 0.000 0.542 421 K N 1.524 121.938 120.400 0.024 0.000 2.152 421 K HA -0.142 4.201 4.320 0.038 0.000 0.206 421 K C 2.190 178.786 176.600 -0.007 0.000 1.048 421 K CA 1.942 58.235 56.287 0.010 0.000 0.933 421 K CB -0.175 32.332 32.500 0.012 0.000 0.721 421 K HN 0.835 nan 8.250 nan 0.000 0.447 422 K N -0.960 119.434 120.400 -0.011 0.000 2.186 422 K HA 0.004 4.347 4.320 0.038 0.000 0.202 422 K C 1.006 177.582 176.600 -0.039 0.000 1.052 422 K CA 1.181 57.455 56.287 -0.021 0.000 0.965 422 K CB 0.065 32.554 32.500 -0.017 0.000 0.746 422 K HN 0.036 nan 8.250 nan 0.000 0.457 423 N N 1.258 119.927 118.700 -0.051 0.000 2.299 423 N HA -0.017 4.746 4.740 0.038 0.000 0.187 423 N C 1.262 176.698 175.510 -0.123 0.000 1.099 423 N CA 0.214 53.212 53.050 -0.087 0.000 0.867 423 N CB 0.427 38.857 38.487 -0.096 0.000 0.974 423 N HN 0.295 nan 8.380 nan 0.000 0.477 424 K N 1.456 121.801 120.400 -0.092 0.000 2.074 424 K HA -0.139 4.204 4.320 0.038 0.000 0.209 424 K C 0.358 176.895 176.600 -0.106 0.000 1.048 424 K CA 1.470 57.701 56.287 -0.093 0.000 0.926 424 K CB 0.179 32.665 32.500 -0.024 0.000 0.713 424 K HN 0.015 nan 8.250 nan 0.000 0.444 425 D N 0.053 120.405 120.400 -0.080 0.000 2.355 425 D HA -0.087 4.575 4.640 0.038 0.000 0.218 425 D C 1.078 177.328 176.300 -0.084 0.000 1.004 425 D CA 0.732 54.693 54.000 -0.064 0.000 0.880 425 D CB -0.226 40.550 40.800 -0.040 0.000 0.911 425 D HN 0.519 nan 8.370 nan 0.000 0.528 426 N N 0.154 118.781 118.700 -0.122 0.000 2.412 426 N HA -0.033 4.730 4.740 0.038 0.000 0.184 426 N C 0.347 175.737 175.510 -0.200 0.000 1.101 426 N CA 0.023 52.989 53.050 -0.139 0.000 0.881 426 N CB -0.071 38.330 38.487 -0.142 0.000 0.969 426 N HN 0.041 nan 8.380 nan 0.000 0.459 427 I N 1.200 121.624 120.570 -0.243 0.000 2.452 427 I HA -0.006 4.187 4.170 0.038 0.000 0.287 427 I C 0.133 176.149 176.117 -0.168 0.000 1.079 427 I CA -0.316 60.794 61.300 -0.318 0.000 1.387 427 I CB 0.369 38.166 38.000 -0.337 0.000 1.404 427 I HN 0.187 nan 8.210 nan 0.000 0.522 428 D N 9.950 130.242 120.400 -0.180 0.000 2.343 428 D HA 0.092 4.755 4.640 0.038 0.000 0.255 428 D C -1.446 174.832 176.300 -0.037 0.000 1.187 428 D CA -1.761 52.192 54.000 -0.078 0.000 0.875 428 D CB 1.551 42.289 40.800 -0.104 0.000 1.136 428 D HN 0.296 nan 8.370 nan 0.000 0.469 429 P HA -0.121 nan 4.420 nan 0.000 0.231 429 P C 0.320 177.378 177.300 -0.403 0.000 1.158 429 P CA 0.893 63.868 63.100 -0.209 0.000 0.763 429 P CB -0.045 31.432 31.700 -0.373 0.000 0.805 430 Y N -1.957 118.355 120.300 0.021 0.000 2.445 430 Y HA 0.171 4.746 4.550 0.042 0.000 0.247 430 Y C 2.231 178.107 175.900 -0.039 0.000 1.129 430 Y CA -0.352 57.741 58.100 -0.012 0.000 1.251 430 Y CB 0.134 38.572 38.460 -0.037 0.000 1.176 430 Y HN -0.193 nan 8.280 nan 0.000 0.522 431 I N -1.076 119.518 120.570 0.041 0.000 2.731 431 I HA -0.133 4.060 4.170 0.038 0.000 0.260 431 I C 0.162 176.482 176.117 0.338 0.000 1.138 431 I CA 0.685 61.990 61.300 0.008 0.000 1.461 431 I CB -0.582 37.186 38.000 -0.386 0.000 1.128 431 I HN 0.084 nan 8.210 nan 0.000 0.438 432 Y N 2.825 123.259 120.300 0.223 0.000 2.454 432 Y HA 0.296 4.867 4.550 0.036 0.000 0.345 432 Y C 0.187 176.231 175.900 0.240 0.000 0.970 432 Y CA -0.379 57.900 58.100 0.299 0.000 1.204 432 Y CB 0.547 39.171 38.460 0.274 0.000 1.122 432 Y HN 0.074 nan 8.280 nan 0.000 0.514 433 T N 4.015 118.586 114.554 0.029 0.000 3.732 433 T HA 0.237 4.610 4.350 0.038 0.000 0.234 433 T C -2.404 172.151 174.700 -0.242 0.000 1.146 433 T CA -1.272 60.752 62.100 -0.127 0.000 1.454 433 T CB 0.619 69.456 68.868 -0.052 0.000 0.910 433 T HN 0.477 nan 8.240 nan 0.000 0.640 434 P HA 0.174 nan 4.420 nan 0.000 0.233 434 P C 0.153 177.031 177.300 -0.703 0.000 1.167 434 P CA 0.256 63.025 63.100 -0.551 0.000 0.770 434 P CB -0.199 31.057 31.700 -0.740 0.000 0.837 435 F N -0.526 119.327 119.950 -0.161 0.000 2.724 435 F HA 0.447 4.995 4.527 0.036 0.000 0.310 435 F C 1.626 177.381 175.800 -0.075 0.000 1.107 435 F CA 0.320 58.258 58.000 -0.103 0.000 1.218 435 F CB 0.058 39.002 39.000 -0.093 0.000 1.042 435 F HN 0.005 nan 8.300 nan 0.000 0.540 436 G N 0.706 109.519 108.800 0.023 0.000 2.645 436 G HA2 -0.052 3.931 3.960 0.038 0.000 0.239 436 G HA3 -0.052 3.931 3.960 0.038 0.000 0.239 436 G C -0.320 174.602 174.900 0.037 0.000 1.331 436 G CA -0.172 44.936 45.100 0.013 0.000 0.890 436 G HN 0.441 nan 8.290 nan 0.000 0.572 437 S N -1.461 114.265 115.700 0.044 0.000 2.651 437 S HA 0.898 5.391 4.470 0.038 0.000 0.279 437 S C 0.603 175.250 174.600 0.078 0.000 1.148 437 S CA 1.234 59.469 58.200 0.059 0.000 0.837 437 S CB 1.108 64.366 63.200 0.096 0.000 1.138 437 S HN 2.956 nan 8.310 nan 0.000 0.478 438 G N 2.461 111.317 108.800 0.092 0.000 2.741 438 G HA2 -0.143 3.840 3.960 0.038 0.000 0.222 438 G HA3 -0.143 3.840 3.960 0.038 0.000 0.222 438 G C -2.408 172.545 174.900 0.088 0.000 1.364 438 G CA -0.124 45.024 45.100 0.080 0.000 0.866 438 G HN 0.575 nan 8.290 nan 0.000 0.555 439 P HA 0.033 nan 4.420 nan 0.000 0.222 439 P C 1.419 178.916 177.300 0.329 0.000 1.147 439 P CA 1.441 64.647 63.100 0.177 0.000 0.790 439 P CB 0.085 31.838 31.700 0.089 0.000 0.780 440 R N -0.185 120.441 120.500 0.210 0.000 2.633 440 R HA 0.097 4.460 4.340 0.038 0.000 0.348 440 R C 0.473 176.854 176.300 0.135 0.000 1.100 440 R CA -0.368 55.867 56.100 0.225 0.000 1.068 440 R CB -0.361 29.863 30.300 -0.128 0.000 1.351 440 R HN 0.183 nan 8.270 nan 0.000 0.575 441 N N -0.437 118.345 118.700 0.136 0.000 2.285 441 N HA -0.093 4.670 4.740 0.038 0.000 0.262 441 N C -0.291 175.304 175.510 0.143 0.000 1.299 441 N CA -0.409 52.709 53.050 0.114 0.000 0.930 441 N CB 0.113 38.661 38.487 0.101 0.000 1.157 441 N HN 0.023 nan 8.380 nan 0.000 0.532 442 C N 0.873 120.259 119.300 0.143 0.000 2.592 442 C HA 0.086 4.569 4.460 0.038 0.000 0.408 442 C C 2.229 177.281 174.990 0.103 0.000 1.436 442 C CA -0.545 58.557 59.018 0.139 0.000 1.595 442 C CB -2.136 25.736 27.740 0.220 0.000 2.487 442 C HN 0.696 nan 8.230 nan 0.000 0.610 443 I N 4.441 125.093 120.570 0.138 0.000 2.614 443 I HA 0.038 4.231 4.170 0.038 0.000 0.258 443 I C 1.978 178.160 176.117 0.109 0.000 1.189 443 I CA 1.697 63.111 61.300 0.190 0.000 1.462 443 I CB 0.004 38.191 38.000 0.311 0.000 1.092 443 I HN 0.910 nan 8.210 nan 0.000 0.442 444 G N 0.030 108.778 108.800 -0.087 0.000 3.434 444 G HA2 0.004 3.987 3.960 0.038 0.000 0.258 444 G HA3 0.004 3.987 3.960 0.038 0.000 0.258 444 G C 1.243 175.940 174.900 -0.338 0.000 1.128 444 G CA -0.241 44.608 45.100 -0.418 0.000 0.792 444 G HN 0.304 nan 8.290 nan 0.000 0.539 445 M N 0.422 119.853 119.600 -0.281 0.000 2.065 445 M HA -0.088 4.415 4.480 0.038 0.000 0.259 445 M C 2.587 178.572 176.300 -0.526 0.000 1.071 445 M CA 1.531 56.502 55.300 -0.548 0.000 1.109 445 M CB -0.096 32.058 32.600 -0.744 0.000 1.313 445 M HN 0.154 nan 8.290 nan 0.000 0.408 446 R N -0.716 119.575 120.500 -0.348 0.000 2.115 446 R HA -0.120 4.243 4.340 0.038 0.000 0.230 446 R C 2.200 178.402 176.300 -0.162 0.000 1.111 446 R CA 1.707 57.673 56.100 -0.222 0.000 0.976 446 R CB -0.726 29.528 30.300 -0.078 0.000 0.870 446 R HN 0.522 nan 8.270 nan 0.000 0.445 447 F N 1.666 121.374 119.950 -0.403 0.000 2.146 447 F HA -0.141 4.409 4.527 0.037 0.000 0.298 447 F C 2.332 177.974 175.800 -0.264 0.000 1.096 447 F CA 1.363 59.136 58.000 -0.378 0.000 1.275 447 F CB -0.143 38.360 39.000 -0.829 0.000 1.008 447 F HN -0.037 nan 8.300 nan 0.000 0.480 448 A N 1.071 123.593 122.820 -0.496 0.000 1.877 448 A HA -0.148 4.195 4.320 0.038 0.000 0.216 448 A C 2.226 179.619 177.584 -0.319 0.000 1.186 448 A CA 1.918 53.692 52.037 -0.438 0.000 0.620 448 A CB -1.249 17.663 19.000 -0.146 0.000 0.822 448 A HN 0.520 nan 8.150 nan 0.000 0.443 449 L N -1.315 119.756 121.223 -0.254 0.000 2.083 449 L HA -0.172 4.191 4.340 0.038 0.000 0.209 449 L C 2.833 179.594 176.870 -0.181 0.000 1.083 449 L CA 1.681 56.412 54.840 -0.181 0.000 0.752 449 L CB -0.385 41.555 42.059 -0.198 0.000 0.899 449 L HN 0.542 nan 8.230 nan 0.000 0.433 450 M N -0.309 119.176 119.600 -0.193 0.000 2.132 450 M HA -0.220 4.283 4.480 0.038 0.000 0.263 450 M C 2.087 178.307 176.300 -0.134 0.000 1.065 450 M CA 1.780 57.004 55.300 -0.126 0.000 1.122 450 M CB -0.282 32.307 32.600 -0.018 0.000 1.365 450 M HN 0.336 nan 8.290 nan 0.000 0.411 451 N N -0.127 118.403 118.700 -0.283 0.000 2.171 451 N HA -0.143 4.620 4.740 0.038 0.000 0.184 451 N C 1.745 177.203 175.510 -0.086 0.000 1.021 451 N CA 1.178 54.094 53.050 -0.223 0.000 0.854 451 N CB 0.027 38.182 38.487 -0.554 0.000 0.994 451 N HN 0.391 nan 8.380 nan 0.000 0.426 452 M N 0.719 120.220 119.600 -0.165 0.000 2.117 452 M HA -0.136 4.367 4.480 0.038 0.000 0.262 452 M C 2.024 178.249 176.300 -0.125 0.000 1.065 452 M CA 1.476 56.684 55.300 -0.154 0.000 1.114 452 M CB -0.099 32.395 32.600 -0.178 0.000 1.361 452 M HN 0.067 nan 8.290 nan 0.000 0.408 453 K N 0.096 120.434 120.400 -0.103 0.000 2.025 453 K HA -0.119 4.224 4.320 0.038 0.000 0.207 453 K C 1.901 178.479 176.600 -0.036 0.000 1.049 453 K CA 0.984 57.225 56.287 -0.076 0.000 0.933 453 K CB -0.182 32.270 32.500 -0.080 0.000 0.714 453 K HN 0.118 nan 8.250 nan 0.000 0.438 454 L N 1.111 122.333 121.223 -0.002 0.000 2.013 454 L HA -0.210 4.153 4.340 0.038 0.000 0.212 454 L C 2.404 179.305 176.870 0.052 0.000 1.073 454 L CA 1.926 56.800 54.840 0.057 0.000 0.753 454 L CB -1.466 40.665 42.059 0.121 0.000 0.890 454 L HN 0.191 nan 8.230 nan 0.000 0.432 455 A N -0.777 122.051 122.820 0.013 0.000 1.851 455 A HA -0.217 4.126 4.320 0.038 0.000 0.216 455 A C 2.218 179.759 177.584 -0.071 0.000 1.195 455 A CA 1.671 53.624 52.037 -0.140 0.000 0.622 455 A CB -0.886 17.925 19.000 -0.315 0.000 0.831 455 A HN 0.305 nan 8.150 nan 0.000 0.444 456 L N -0.178 120.989 121.223 -0.094 0.000 1.997 456 L HA -0.238 4.125 4.340 0.038 0.000 0.216 456 L C 2.498 179.371 176.870 0.004 0.000 1.074 456 L CA 1.893 56.694 54.840 -0.066 0.000 0.763 456 L CB -0.964 41.037 42.059 -0.096 0.000 0.890 456 L HN 0.462 nan 8.230 nan 0.000 0.434 457 I N -1.349 119.226 120.570 0.009 0.000 2.127 457 I HA -0.338 3.855 4.170 0.038 0.000 0.241 457 I C 2.610 178.760 176.117 0.056 0.000 1.075 457 I CA 1.057 62.376 61.300 0.032 0.000 1.334 457 I CB -0.351 37.665 38.000 0.027 0.000 1.040 457 I HN 0.247 nan 8.210 nan 0.000 0.405 458 R N 0.320 120.859 120.500 0.065 0.000 2.105 458 R HA -0.110 4.253 4.340 0.038 0.000 0.239 458 R C 2.250 178.632 176.300 0.136 0.000 1.135 458 R CA 1.129 57.281 56.100 0.087 0.000 0.967 458 R CB -1.036 29.322 30.300 0.096 0.000 0.861 458 R HN 0.291 nan 8.270 nan 0.000 0.442 459 V N 0.770 120.792 119.914 0.179 0.000 2.488 459 V HA -0.145 3.998 4.120 0.038 0.000 0.246 459 V C 2.035 178.354 176.094 0.375 0.000 1.046 459 V CA 1.075 63.589 62.300 0.356 0.000 1.053 459 V CB -0.254 31.745 31.823 0.293 0.000 0.679 459 V HN 0.092 nan 8.190 nan 0.000 0.458 460 L N 0.463 121.810 121.223 0.206 0.000 2.418 460 L HA -0.028 4.335 4.340 0.038 0.000 0.218 460 L C 2.368 179.303 176.870 0.107 0.000 1.125 460 L CA 1.431 56.377 54.840 0.176 0.000 0.835 460 L CB -0.808 41.315 42.059 0.107 0.000 0.953 460 L HN 0.586 nan 8.230 nan 0.000 0.454 461 Q N -2.439 117.398 119.800 0.061 0.000 2.403 461 Q HA 0.032 4.395 4.340 0.038 0.000 0.203 461 Q C 0.763 176.713 176.000 -0.083 0.000 0.932 461 Q CA 0.578 56.382 55.803 0.002 0.000 0.945 461 Q CB 0.088 28.828 28.738 0.004 0.000 1.045 461 Q HN 0.431 nan 8.270 nan 0.000 0.511 462 N N -0.653 117.949 118.700 -0.163 0.000 2.419 462 N HA 0.200 4.963 4.740 0.038 0.000 0.216 462 N C -0.677 174.415 175.510 -0.696 0.000 1.118 462 N CA 0.354 53.078 53.050 -0.544 0.000 0.850 462 N CB 0.737 38.670 38.487 -0.924 0.000 1.292 462 N HN 0.059 nan 8.380 nan 0.000 0.467 463 F N 0.381 120.381 119.950 0.083 0.000 2.603 463 F HA 0.503 5.053 4.527 0.038 0.000 0.317 463 F C 0.052 175.922 175.800 0.118 0.000 1.066 463 F CA -0.808 57.219 58.000 0.045 0.000 0.941 463 F CB 1.850 40.845 39.000 -0.009 0.000 1.291 463 F HN -0.403 nan 8.300 nan 0.000 0.472 464 S N 0.951 116.787 115.700 0.226 0.000 2.500 464 S HA 0.649 5.142 4.470 0.038 0.000 0.301 464 S C -1.298 173.355 174.600 0.089 0.000 1.092 464 S CA -0.571 57.761 58.200 0.219 0.000 1.030 464 S CB 0.738 64.011 63.200 0.121 0.000 1.031 464 S HN 0.380 nan 8.310 nan 0.000 0.483 465 F N 2.949 122.934 119.950 0.058 0.000 2.411 465 F HA 0.470 5.021 4.527 0.039 0.000 0.352 465 F C 0.733 176.532 175.800 -0.002 0.000 1.123 465 F CA -0.772 57.240 58.000 0.021 0.000 1.044 465 F CB 1.087 40.099 39.000 0.019 0.000 1.135 465 F HN 0.109 nan 8.300 nan 0.000 0.461 466 K N 4.121 124.570 120.400 0.081 0.000 2.259 466 K HA 0.490 4.833 4.320 0.038 0.000 0.252 466 K C -2.864 173.750 176.600 0.023 0.000 0.936 466 K CA -2.238 54.069 56.287 0.034 0.000 0.810 466 K CB 1.929 34.428 32.500 -0.003 0.000 1.143 466 K HN 0.175 nan 8.250 nan 0.000 0.427 467 P HA 0.184 nan 4.420 nan 0.000 0.275 467 P C -0.049 177.249 177.300 -0.003 0.000 1.227 467 P CA -0.546 62.552 63.100 -0.005 0.000 0.781 467 P CB 0.500 32.178 31.700 -0.037 0.000 0.906 468 C N 1.799 121.101 119.300 0.004 0.000 2.711 468 C HA 0.533 5.016 4.460 0.038 0.000 0.410 468 C C 1.943 176.936 174.990 0.005 0.000 1.553 468 C CA -0.562 58.455 59.018 -0.002 0.000 1.759 468 C CB 0.086 27.821 27.740 -0.008 0.000 2.077 468 C HN 0.367 nan 8.230 nan 0.000 0.483 469 K N 0.304 120.705 120.400 0.002 0.000 2.211 469 K HA -0.015 4.328 4.320 0.038 0.000 0.203 469 K C 1.851 178.457 176.600 0.011 0.000 1.050 469 K CA 1.479 57.769 56.287 0.005 0.000 0.945 469 K CB -0.197 32.303 32.500 0.001 0.000 0.732 469 K HN 0.740 nan 8.250 nan 0.000 0.451 470 E N -0.242 119.964 120.200 0.010 0.000 2.481 470 E HA -0.015 4.358 4.350 0.038 0.000 0.195 470 E C -0.281 176.335 176.600 0.027 0.000 1.047 470 E CA 0.277 56.685 56.400 0.013 0.000 0.867 470 E CB 0.219 29.922 29.700 0.005 0.000 0.858 470 E HN 0.158 nan 8.360 nan 0.000 0.513 471 T N 1.554 116.132 114.554 0.040 0.000 2.901 471 T HA 0.022 4.395 4.350 0.038 0.000 0.301 471 T C 0.079 174.830 174.700 0.085 0.000 1.012 471 T CA -0.130 62.015 62.100 0.075 0.000 1.135 471 T CB 1.239 70.157 68.868 0.084 0.000 0.936 471 T HN 0.059 nan 8.240 nan 0.000 0.539 472 Q N 2.888 122.752 119.800 0.107 0.000 2.337 472 Q HA 0.428 4.791 4.340 0.038 0.000 0.255 472 Q C -1.173 174.927 176.000 0.167 0.000 0.997 472 Q CA -0.202 55.656 55.803 0.092 0.000 0.925 472 Q CB 0.107 28.868 28.738 0.038 0.000 1.212 472 Q HN 0.611 nan 8.270 nan 0.000 0.436 473 I N 6.946 127.598 120.570 0.136 0.000 2.468 473 I HA 0.367 4.560 4.170 0.038 0.000 0.285 473 I C -1.718 174.467 176.117 0.113 0.000 1.039 473 I CA -1.912 59.488 61.300 0.167 0.000 1.074 473 I CB 1.611 39.682 38.000 0.119 0.000 1.228 473 I HN 0.679 nan 8.210 nan 0.000 0.436 474 P HA 0.329 nan 4.420 nan 0.000 0.275 474 P C -0.944 176.430 177.300 0.123 0.000 1.266 474 P CA -0.641 62.574 63.100 0.192 0.000 0.793 474 P CB 0.557 32.354 31.700 0.161 0.000 1.074 475 L N -1.732 119.514 121.223 0.040 0.000 2.349 475 L HA 0.473 4.836 4.340 0.038 0.000 0.275 475 L C 0.151 177.030 176.870 0.014 0.000 1.115 475 L CA -0.006 54.783 54.840 -0.086 0.000 0.820 475 L CB -0.166 41.651 42.059 -0.404 0.000 1.135 475 L HN 0.174 nan 8.230 nan 0.000 0.445 476 K N 3.145 123.555 120.400 0.016 0.000 2.185 476 K HA 0.557 4.900 4.320 0.038 0.000 0.269 476 K C -1.068 175.562 176.600 0.051 0.000 0.987 476 K CA -0.834 55.478 56.287 0.041 0.000 0.865 476 K CB 1.476 33.991 32.500 0.025 0.000 1.090 476 K HN 0.437 nan 8.250 nan 0.000 0.450 477 L N 2.066 123.339 121.223 0.084 0.000 2.371 477 L HA 0.122 4.485 4.340 0.038 0.000 0.272 477 L C 1.096 177.994 176.870 0.047 0.000 1.124 477 L CA 0.253 55.156 54.840 0.104 0.000 0.816 477 L CB 1.026 43.165 42.059 0.134 0.000 1.129 477 L HN 0.727 nan 8.230 nan 0.000 0.448 478 S N 3.106 118.833 115.700 0.045 0.000 2.602 478 S HA 0.483 4.976 4.470 0.038 0.000 0.257 478 S C 0.066 174.668 174.600 0.004 0.000 1.250 478 S CA -0.382 57.830 58.200 0.019 0.000 0.986 478 S CB 0.196 63.409 63.200 0.022 0.000 1.040 478 S HN 0.428 nan 8.310 nan 0.000 0.562 479 L N 0.804 122.021 121.223 -0.011 0.000 2.594 479 L HA 0.572 4.935 4.340 0.038 0.000 0.245 479 L C 0.484 177.328 176.870 -0.043 0.000 1.460 479 L CA -0.493 54.312 54.840 -0.058 0.000 0.865 479 L CB 0.397 42.402 42.059 -0.089 0.000 1.131 479 L HN 0.859 nan 8.230 nan 0.000 0.506 480 G N -0.667 108.149 108.800 0.027 0.000 3.175 480 G HA2 0.498 4.481 3.960 0.038 0.000 0.255 480 G HA3 0.498 4.481 3.960 0.038 0.000 0.255 480 G C 0.659 175.653 174.900 0.157 0.000 1.352 480 G CA 0.056 45.193 45.100 0.062 0.000 1.037 480 G HN 0.183 nan 8.290 nan 0.000 0.556 481 G N -1.343 107.510 108.800 0.089 0.000 2.623 481 G HA2 0.271 4.254 3.960 0.038 0.000 0.214 481 G HA3 0.271 4.254 3.960 0.038 0.000 0.214 481 G C 0.480 175.390 174.900 0.016 0.000 1.138 481 G CA 0.314 45.435 45.100 0.036 0.000 0.794 481 G HN 0.291 nan 8.290 nan 0.000 0.535 482 L N 0.121 121.382 121.223 0.064 0.000 2.354 482 L HA 0.437 4.800 4.340 0.038 0.000 0.264 482 L C -0.846 176.077 176.870 0.089 0.000 1.008 482 L CA -1.206 53.673 54.840 0.065 0.000 0.819 482 L CB 2.589 44.701 42.059 0.088 0.000 1.339 482 L HN -0.106 nan 8.230 nan 0.000 0.420 483 L N 2.710 123.993 121.223 0.100 0.000 2.500 483 L HA 0.133 4.496 4.340 0.038 0.000 0.272 483 L C -0.203 176.815 176.870 0.246 0.000 1.149 483 L CA 1.036 55.973 54.840 0.161 0.000 0.897 483 L CB 0.147 42.302 42.059 0.160 0.000 1.178 483 L HN 0.565 nan 8.230 nan 0.000 0.473 484 Q N 5.928 125.854 119.800 0.210 0.000 2.359 484 Q HA 0.546 4.909 4.340 0.038 0.000 0.274 484 Q C -2.585 173.485 176.000 0.116 0.000 1.074 484 Q CA -2.052 53.827 55.803 0.128 0.000 0.810 484 Q CB 2.663 31.425 28.738 0.041 0.000 1.342 484 Q HN 0.332 nan 8.270 nan 0.000 0.427 485 P HA 0.020 nan 4.420 nan 0.000 0.276 485 P C -1.282 175.989 177.300 -0.049 0.000 1.235 485 P CA -0.139 62.929 63.100 -0.053 0.000 0.772 485 P CB 0.634 32.183 31.700 -0.253 0.000 0.871 486 E N 4.778 124.969 120.200 -0.016 0.000 2.180 486 E HA 0.069 4.442 4.350 0.038 0.000 0.283 486 E C -0.796 175.787 176.600 -0.029 0.000 1.061 486 E CA -0.257 56.133 56.400 -0.016 0.000 0.861 486 E CB -0.044 29.654 29.700 -0.004 0.000 1.056 486 E HN 0.330 nan 8.360 nan 0.000 0.407 487 K N 3.414 123.795 120.400 -0.031 0.000 6.165 487 K HA -0.061 4.282 4.320 0.038 0.000 0.850 487 K C -2.460 174.105 176.600 -0.058 0.000 2.178 487 K CA 0.019 56.285 56.287 -0.033 0.000 1.624 487 K CB -0.771 31.715 32.500 -0.022 0.000 2.431 487 K HN 0.592 nan 8.250 nan 0.000 0.245 488 P HA -0.072 nan 4.420 nan 0.000 0.264 488 P C -0.003 177.252 177.300 -0.075 0.000 1.179 488 P CA -0.111 62.941 63.100 -0.079 0.000 0.763 488 P CB 0.436 32.107 31.700 -0.049 0.000 0.806 489 V N 3.897 123.746 119.914 -0.109 0.000 2.529 489 V HA 0.028 4.171 4.120 0.038 0.000 0.292 489 V C 0.760 176.853 176.094 -0.002 0.000 1.028 489 V CA 0.275 62.539 62.300 -0.059 0.000 1.074 489 V CB 0.757 32.522 31.823 -0.097 0.000 0.958 489 V HN 0.253 nan 8.190 nan 0.000 0.481 490 V N 7.315 127.249 119.914 0.033 0.000 2.483 490 V HA 0.546 4.689 4.120 0.038 0.000 0.297 490 V C -0.210 175.920 176.094 0.059 0.000 1.027 490 V CA -0.338 61.981 62.300 0.032 0.000 0.855 490 V CB 1.639 33.469 31.823 0.012 0.000 0.995 490 V HN 0.666 nan 8.190 nan 0.000 0.424 491 L N 3.558 124.822 121.223 0.068 0.000 2.327 491 L HA 0.663 5.026 4.340 0.038 0.000 0.258 491 L C -0.415 176.460 176.870 0.007 0.000 1.024 491 L CA -0.972 53.918 54.840 0.083 0.000 0.825 491 L CB 2.542 44.729 42.059 0.213 0.000 1.386 491 L HN 0.463 nan 8.230 nan 0.000 0.417 492 K N 0.781 121.163 120.400 -0.030 0.000 2.156 492 K HA 0.602 4.945 4.320 0.038 0.000 0.271 492 K C -1.374 175.080 176.600 -0.242 0.000 0.995 492 K CA -0.495 55.727 56.287 -0.109 0.000 0.890 492 K CB 1.589 34.047 32.500 -0.070 0.000 1.073 492 K HN 0.356 nan 8.250 nan 0.000 0.454 493 V N 3.936 123.643 119.914 -0.345 0.000 2.384 493 V HA 0.317 4.460 4.120 0.038 0.000 0.287 493 V C -0.517 175.404 176.094 -0.287 0.000 1.020 493 V CA -0.740 61.219 62.300 -0.569 0.000 0.850 493 V CB 1.328 32.688 31.823 -0.773 0.000 0.987 493 V HN 0.833 nan 8.190 nan 0.000 0.436 494 E N 2.088 122.175 120.200 -0.188 0.000 2.199 494 E HA 0.499 4.872 4.350 0.038 0.000 0.269 494 E C -0.588 176.074 176.600 0.103 0.000 0.899 494 E CA -0.505 55.877 56.400 -0.030 0.000 0.772 494 E CB 2.104 31.788 29.700 -0.026 0.000 1.155 494 E HN 0.667 nan 8.360 nan 0.000 0.408 495 S N 1.798 117.566 115.700 0.113 0.000 2.584 495 S HA 0.179 4.672 4.470 0.038 0.000 0.270 495 S C 0.381 174.975 174.600 -0.009 0.000 1.346 495 S CA -0.332 57.902 58.200 0.057 0.000 1.018 495 S CB 0.601 63.811 63.200 0.017 0.000 0.899 495 S HN 0.317 nan 8.310 nan 0.000 0.542 496 R N 0.000 120.455 120.500 -0.076 0.000 2.786 496 R HA 0.000 4.363 4.340 0.038 0.000 0.208 496 R CA 0.000 56.071 56.100 -0.048 0.000 0.921 496 R CB 0.000 30.261 30.300 -0.065 0.000 0.687 496 R HN 0.000 nan 8.270 nan 0.000 0.535