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 2vpx_1_A DATA FIRST_RESID 30 DATA SEQUENCE APWYAQEVKS VYQICEGCFW RCGIVAHAVG NRVYKVEGYE ANPKSRGRLC DATA SEQUENCE PRGQGAPQTT YDPDRLKRPL IRVEGSQRGE GKYRVATWEE ALDHIAKKML DATA SEQUENCE EIREKYGPEA IAFFGHGTGD YWFVDFLPAA WGSPNAAKPS VSLCTAPREV DATA SEQUENCE ASQWVFGRPI GGHEPIDWEN ARYIVLIGHH IGEDTHNTQL QDFALALKNG DATA SEQUENCE AKVVVVDPRF STAAAKAHRW LPIKPGTDTA LLLAWIHVLI YEDLYDKEYV DATA SEQUENCE AKYTVGFEEL KAHVKDFTPE WAEKHTEIPA QVIREVAREM AAHKPRAVLP DATA SEQUENCE PTRHNVWYGD DTYRVMALLY VNVLLGNYGR PGGFYIAQSP YLEKYPLPPL DATA SEQUENCE PLEPAAGGCS GPSGGDHEPE GFKPRADKGK FFARSTAIQE LIEPMITGEP DATA SEQUENCE YPIKGLFAYG INLFHSIPNV PRTKEALKNL DLYVAIDVLP QEHVMWADVI DATA SEQUENCE LPEATYLERY DDFVLVAHKT PFIQLRTPAH EPLFDTKPGW WIARELGLRL DATA SEQUENCE GLEQYFPWKT IEEYLETRLQ SLGLDLETMK GMGTLVQRGK PWLEDWEKEG DATA SEQUENCE RLPFGTASGK IELYCQRFKE AGHQPLPVFT PPEEPPEGFY RLLYGRSPVH DATA SEQUENCE TFARTQNNWV LMEMDPENEV WIHKEEAKRL GLKEGDYVML VNQDGVKEGP DATA SEQUENCE VRVKPTARIR KDCVYIVHGF GHKAPLMRLA HGRGASDNYL QTRYKLDPIS DATA SEQUENCE GGAGLRVNFV RLEKAERPRL PSLTGLAKRP FDERR 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 A HA 0.000 nan 4.320 nan 0.000 0.244 30 A C 0.000 177.434 177.584 -0.250 0.000 1.274 30 A CA 0.000 51.944 52.037 -0.155 0.000 0.836 30 A CB 0.000 18.938 19.000 -0.104 0.000 0.831 31 P HA 0.075 nan 4.420 nan 0.000 0.266 31 P C 0.971 177.801 177.300 -0.783 0.000 1.195 31 P CA -0.021 62.689 63.100 -0.652 0.000 0.768 31 P CB 0.100 31.132 31.700 -1.113 0.000 0.838 32 W N 3.331 124.188 121.300 -0.739 0.000 2.358 32 W HA -0.231 4.428 4.660 -0.000 0.000 0.303 32 W C 1.222 177.451 176.519 -0.484 0.000 1.208 32 W CA 1.131 58.017 57.345 -0.764 0.000 1.274 32 W CB -1.795 26.966 29.460 -1.164 0.000 1.138 32 W HN 0.460 nan 8.180 nan 0.000 0.515 33 Y N 0.487 119.809 120.300 -1.629 0.000 2.639 33 Y HA 0.415 4.965 4.550 -0.000 0.000 0.297 33 Y C 2.373 177.911 175.900 -0.603 0.000 1.151 33 Y CA 0.932 58.203 58.100 -1.382 0.000 1.335 33 Y CB -1.498 35.987 38.460 -1.625 0.000 0.994 33 Y HN -0.032 nan 8.280 nan 0.000 0.548 34 A N -0.304 122.095 122.820 -0.702 0.000 2.169 34 A HA 0.100 4.420 4.320 -0.000 0.000 0.210 34 A C 1.105 178.543 177.584 -0.243 0.000 1.168 34 A CA -0.203 51.621 52.037 -0.354 0.000 0.813 34 A CB -0.186 18.587 19.000 -0.379 0.000 0.861 34 A HN 0.489 nan 8.150 nan 0.000 0.481 35 Q N 1.099 120.736 119.800 -0.272 0.000 2.312 35 Q HA 0.212 4.552 4.340 -0.000 0.000 0.236 35 Q C -0.229 175.727 176.000 -0.073 0.000 0.965 35 Q CA -0.606 55.109 55.803 -0.147 0.000 0.894 35 Q CB 0.567 29.222 28.738 -0.137 0.000 1.225 35 Q HN 0.602 nan 8.270 nan 0.000 0.478 36 E N 0.908 121.092 120.200 -0.025 0.000 2.502 36 E HA -0.005 4.345 4.350 -0.000 0.000 0.261 36 E C -0.849 175.794 176.600 0.072 0.000 0.974 36 E CA 0.238 56.646 56.400 0.014 0.000 0.936 36 E CB 0.306 30.016 29.700 0.017 0.000 0.926 36 E HN 0.174 nan 8.360 nan 0.000 0.459 37 V N 2.315 122.286 119.914 0.096 0.000 3.074 37 V HA 0.471 4.591 4.120 -0.000 0.000 0.314 37 V C -0.324 175.849 176.094 0.132 0.000 1.117 37 V CA -1.097 61.307 62.300 0.173 0.000 1.014 37 V CB 2.226 34.215 31.823 0.277 0.000 1.057 37 V HN 0.609 nan 8.190 nan 0.000 0.438 38 K N 1.269 121.756 120.400 0.144 0.000 2.507 38 K HA 0.646 4.966 4.320 -0.000 0.000 0.251 38 K C -0.977 175.675 176.600 0.086 0.000 0.943 38 K CA -0.353 55.986 56.287 0.087 0.000 0.794 38 K CB 2.084 34.619 32.500 0.058 0.000 1.188 38 K HN 0.635 nan 8.250 nan 0.000 0.428 39 S N 0.563 116.287 115.700 0.039 0.000 2.722 39 S HA 0.777 5.247 4.470 -0.000 0.000 0.292 39 S C -0.277 174.231 174.600 -0.152 0.000 1.135 39 S CA -0.736 57.432 58.200 -0.053 0.000 1.003 39 S CB 1.541 64.699 63.200 -0.071 0.000 1.067 39 S HN 0.452 nan 8.310 nan 0.000 0.546 40 V N -1.115 118.648 119.914 -0.252 0.000 3.225 40 V HA 0.505 4.625 4.120 -0.000 0.000 0.293 40 V C -2.052 173.861 176.094 -0.302 0.000 1.405 40 V CA -1.129 61.028 62.300 -0.239 0.000 1.038 40 V CB 0.812 32.555 31.823 -0.134 0.000 1.123 40 V HN 0.858 nan 8.190 nan 0.000 0.447 41 Y N 1.506 121.737 120.300 -0.116 0.000 2.336 41 Y HA 0.722 5.272 4.550 -0.000 0.000 0.335 41 Y C 0.350 176.245 175.900 -0.008 0.000 1.046 41 Y CA 0.302 58.332 58.100 -0.116 0.000 1.198 41 Y CB 1.748 40.139 38.460 -0.116 0.000 1.182 41 Y HN 0.858 nan 8.280 nan 0.000 0.502 42 Q N 3.184 123.134 119.800 0.249 0.000 2.340 42 Q HA 0.452 4.792 4.340 -0.000 0.000 0.276 42 Q C -1.409 174.751 176.000 0.267 0.000 1.048 42 Q CA -0.531 55.390 55.803 0.198 0.000 0.832 42 Q CB 1.466 30.258 28.738 0.089 0.000 1.373 42 Q HN 0.615 nan 8.270 nan 0.000 0.409 43 I N 1.543 122.263 120.570 0.250 0.000 2.638 43 I HA 0.206 4.376 4.170 -0.000 0.000 0.286 43 I C 0.325 176.575 176.117 0.220 0.000 1.088 43 I CA -0.735 60.698 61.300 0.222 0.000 1.397 43 I CB 0.824 38.933 38.000 0.182 0.000 1.414 43 I HN 0.650 nan 8.210 nan 0.000 0.566 44 C N 5.393 124.751 119.300 0.096 0.000 2.435 44 C HA 0.213 4.673 4.460 -0.000 0.000 0.375 44 C C 1.166 175.958 174.990 -0.329 0.000 1.281 44 C CA -0.277 58.668 59.018 -0.122 0.000 1.963 44 C CB 0.228 27.946 27.740 -0.035 0.000 2.490 44 C HN 0.893 nan 8.230 nan 0.000 0.557 45 E N 2.560 122.210 120.200 -0.917 0.000 2.451 45 E HA 0.213 4.563 4.350 -0.000 0.000 0.194 45 E C 1.713 178.072 176.600 -0.401 0.000 1.027 45 E CA 0.700 56.800 56.400 -0.500 0.000 0.914 45 E CB -0.124 29.331 29.700 -0.408 0.000 1.054 45 E HN 1.006 nan 8.360 nan 0.000 0.461 46 G N 0.159 108.709 108.800 -0.417 0.000 2.469 46 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 46 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 46 G C 0.889 175.631 174.900 -0.263 0.000 1.136 46 G CA 1.203 46.136 45.100 -0.277 0.000 0.759 46 G HN 0.519 nan 8.290 nan 0.000 0.562 47 C N -4.283 114.880 119.300 -0.228 0.000 3.266 47 C HA 0.659 5.118 4.460 -0.000 0.000 0.369 47 C C 0.871 175.770 174.990 -0.152 0.000 1.580 47 C CA -1.186 57.597 59.018 -0.392 0.000 1.165 47 C CB -0.100 27.437 27.740 -0.339 0.000 1.835 47 C HN 0.109 nan 8.230 nan 0.000 0.433 48 F N 0.162 120.229 119.950 0.196 0.000 2.797 48 F HA 0.174 4.700 4.527 -0.000 0.000 0.302 48 F C 1.914 177.808 175.800 0.157 0.000 1.130 48 F CA -0.046 58.043 58.000 0.148 0.000 1.387 48 F CB 0.021 39.105 39.000 0.139 0.000 1.107 48 F HN 0.698 nan 8.300 nan 0.000 0.577 49 W N 2.287 123.590 121.300 0.005 0.000 2.465 49 W HA -0.088 4.572 4.660 -0.000 0.000 0.268 49 W C 0.555 177.082 176.519 0.014 0.000 1.242 49 W CA 0.954 58.218 57.345 -0.136 0.000 1.248 49 W CB -0.006 29.292 29.460 -0.269 0.000 1.118 49 W HN 0.030 nan 8.180 nan 0.000 0.587 50 R N -0.242 120.371 120.500 0.189 0.000 3.205 50 R HA -0.209 4.131 4.340 -0.000 0.000 0.249 50 R C -0.022 176.352 176.300 0.123 0.000 0.937 50 R CA 0.532 56.703 56.100 0.119 0.000 0.641 50 R CB -2.633 27.719 30.300 0.086 0.000 1.114 50 R HN -0.032 nan 8.270 nan 0.000 0.451 51 C N 0.134 119.543 119.300 0.182 0.000 2.679 51 C HA 0.301 4.761 4.460 -0.000 0.000 0.417 51 C C 1.860 176.927 174.990 0.129 0.000 1.302 51 C CA -0.047 59.077 59.018 0.175 0.000 1.973 51 C CB 0.451 28.309 27.740 0.198 0.000 2.715 51 C HN 0.636 nan 8.230 nan 0.000 0.628 52 G N 2.266 111.102 108.800 0.059 0.000 2.370 52 G HA2 0.562 4.522 3.960 -0.000 0.000 0.272 52 G HA3 0.562 4.522 3.960 -0.000 0.000 0.272 52 G C -0.572 174.449 174.900 0.201 0.000 1.208 52 G CA -0.283 44.872 45.100 0.092 0.000 0.856 52 G HN 0.898 nan 8.290 nan 0.000 0.500 53 I N -0.684 120.153 120.570 0.444 0.000 3.074 53 I HA 0.747 4.917 4.170 -0.000 0.000 0.310 53 I C -0.872 175.474 176.117 0.382 0.000 1.153 53 I CA -1.430 60.119 61.300 0.416 0.000 0.993 53 I CB 2.346 40.485 38.000 0.231 0.000 1.237 53 I HN 0.224 nan 8.210 nan 0.000 0.443 54 V N 2.487 122.504 119.914 0.172 0.000 2.435 54 V HA 0.801 4.921 4.120 -0.000 0.000 0.290 54 V C 0.275 176.193 176.094 -0.294 0.000 1.030 54 V CA -0.398 61.814 62.300 -0.147 0.000 0.881 54 V CB 1.422 33.073 31.823 -0.286 0.000 0.983 54 V HN 0.938 nan 8.190 nan 0.000 0.445 55 A N 3.973 126.600 122.820 -0.322 0.000 2.318 55 A HA 0.712 5.032 4.320 -0.000 0.000 0.324 55 A C -0.546 176.819 177.584 -0.366 0.000 1.170 55 A CA -0.572 51.289 52.037 -0.295 0.000 0.810 55 A CB 0.453 19.355 19.000 -0.163 0.000 1.198 55 A HN 0.882 nan 8.150 nan 0.000 0.484 56 H N 1.723 120.763 119.070 -0.050 0.000 2.641 56 H HA 0.561 5.117 4.556 -0.000 0.000 0.295 56 H C 0.129 175.452 175.328 -0.008 0.000 1.070 56 H CA 0.155 56.205 56.048 0.004 0.000 1.257 56 H CB 1.318 31.106 29.762 0.043 0.000 1.393 56 H HN 0.801 nan 8.280 nan 0.000 0.464 57 A N 2.970 125.886 122.820 0.160 0.000 2.320 57 A HA 0.611 4.931 4.320 -0.000 0.000 0.334 57 A C -0.411 177.310 177.584 0.228 0.000 1.147 57 A CA -0.668 51.459 52.037 0.150 0.000 0.820 57 A CB 1.364 20.435 19.000 0.117 0.000 1.218 57 A HN 0.442 nan 8.150 nan 0.000 0.482 58 V N 2.237 122.306 119.914 0.259 0.000 2.398 58 V HA 0.600 4.720 4.120 -0.000 0.000 0.282 58 V C 0.839 177.020 176.094 0.144 0.000 1.014 58 V CA 0.718 63.162 62.300 0.240 0.000 0.838 58 V CB 0.144 32.161 31.823 0.324 0.000 1.018 58 V HN 2.158 nan 8.190 nan 0.000 0.432 59 G N 5.157 114.000 108.800 0.072 0.000 2.528 59 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.262 59 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.262 59 G C 0.346 175.204 174.900 -0.069 0.000 1.200 59 G CA 0.511 45.615 45.100 0.008 0.000 0.951 59 G HN 0.682 nan 8.290 nan 0.000 0.566 60 N N 1.112 119.698 118.700 -0.189 0.000 2.623 60 N HA 0.357 5.097 4.740 -0.000 0.000 0.263 60 N C 0.245 175.366 175.510 -0.649 0.000 1.218 60 N CA 0.186 52.925 53.050 -0.518 0.000 0.949 60 N CB 0.048 38.278 38.487 -0.428 0.000 1.270 60 N HN 0.595 nan 8.380 nan 0.000 0.507 61 R N -0.249 120.029 120.500 -0.371 0.000 2.522 61 R HA 0.174 4.514 4.340 -0.000 0.000 0.273 61 R C -1.870 174.186 176.300 -0.407 0.000 1.133 61 R CA -0.477 55.299 56.100 -0.541 0.000 0.969 61 R CB 0.759 30.521 30.300 -0.897 0.000 1.235 61 R HN -0.180 nan 8.270 nan 0.000 0.433 62 V N 6.818 126.606 119.914 -0.209 0.000 2.387 62 V HA 0.147 4.267 4.120 -0.000 0.000 0.260 62 V C 0.187 176.031 176.094 -0.417 0.000 1.054 62 V CA 0.159 62.362 62.300 -0.161 0.000 0.967 62 V CB 0.480 32.292 31.823 -0.018 0.000 1.036 62 V HN 0.817 nan 8.190 nan 0.000 0.481 63 Y N 3.233 123.288 120.300 -0.408 0.000 2.420 63 Y HA 0.187 4.737 4.550 -0.000 0.000 0.292 63 Y C 1.241 176.666 175.900 -0.792 0.000 1.119 63 Y CA 0.538 58.227 58.100 -0.686 0.000 1.229 63 Y CB 0.496 38.291 38.460 -1.108 0.000 1.026 63 Y HN 0.445 nan 8.280 nan 0.000 0.554 64 K N -0.683 119.382 120.400 -0.559 0.000 2.532 64 K HA 0.622 4.941 4.320 -0.000 0.000 0.265 64 K C -2.001 174.560 176.600 -0.064 0.000 0.948 64 K CA -0.695 55.404 56.287 -0.314 0.000 0.842 64 K CB 2.109 34.355 32.500 -0.425 0.000 1.392 64 K HN -0.261 nan 8.250 nan 0.000 0.436 65 V N 1.757 121.681 119.914 0.017 0.000 3.007 65 V HA 0.710 4.830 4.120 -0.000 0.000 0.311 65 V C -1.387 174.761 176.094 0.090 0.000 1.120 65 V CA -0.457 61.849 62.300 0.011 0.000 0.980 65 V CB 2.255 34.096 31.823 0.030 0.000 1.033 65 V HN 0.908 nan 8.190 nan 0.000 0.429 66 E N 1.137 121.391 120.200 0.090 0.000 2.413 66 E HA 0.683 5.033 4.350 -0.000 0.000 0.277 66 E C -0.114 176.599 176.600 0.188 0.000 0.958 66 E CA 0.019 56.513 56.400 0.156 0.000 0.779 66 E CB 2.144 31.985 29.700 0.236 0.000 1.278 66 E HN 0.898 nan 8.360 nan 0.000 0.456 67 G N 0.477 109.380 108.800 0.171 0.000 2.621 67 G HA2 0.444 4.404 3.960 -0.000 0.000 0.271 67 G HA3 0.444 4.404 3.960 -0.000 0.000 0.271 67 G C -1.164 173.910 174.900 0.289 0.000 1.236 67 G CA 0.015 45.222 45.100 0.179 0.000 0.958 67 G HN 0.497 nan 8.290 nan 0.000 0.512 68 Y N -2.784 117.570 120.300 0.090 0.000 2.504 68 Y HA 0.540 5.090 4.550 -0.000 0.000 0.344 68 Y C 0.896 176.821 175.900 0.042 0.000 1.023 68 Y CA -1.161 56.998 58.100 0.098 0.000 1.020 68 Y CB 1.216 39.788 38.460 0.186 0.000 1.282 68 Y HN 0.457 nan 8.280 nan 0.000 0.454 69 E N 2.462 122.763 120.200 0.170 0.000 2.026 69 E HA -0.311 4.039 4.350 -0.000 0.000 0.206 69 E C 2.165 178.737 176.600 -0.047 0.000 1.028 69 E CA 2.147 58.577 56.400 0.050 0.000 0.845 69 E CB -0.638 29.108 29.700 0.077 0.000 0.772 69 E HN 0.924 nan 8.360 nan 0.000 0.462 70 A N 1.730 124.555 122.820 0.007 0.000 1.927 70 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 70 A C 1.414 178.805 177.584 -0.322 0.000 1.185 70 A CA 1.372 53.351 52.037 -0.096 0.000 0.639 70 A CB -1.004 17.998 19.000 0.002 0.000 0.820 70 A HN 0.317 nan 8.150 nan 0.000 0.451 71 N N 0.477 118.838 118.700 -0.565 0.000 2.374 71 N HA 0.083 4.823 4.740 -0.000 0.000 0.269 71 N C -2.058 173.074 175.510 -0.629 0.000 1.310 71 N CA -0.829 51.756 53.050 -0.774 0.000 0.877 71 N CB 0.700 38.506 38.487 -1.135 0.000 1.096 71 N HN 0.035 nan 8.380 nan 0.000 0.484 72 P HA -0.101 nan 4.420 nan 0.000 0.228 72 P C 0.267 177.361 177.300 -0.342 0.000 1.151 72 P CA 1.154 63.814 63.100 -0.733 0.000 0.770 72 P CB 0.287 31.193 31.700 -1.324 0.000 0.786 73 K N -0.678 119.577 120.400 -0.242 0.000 2.108 73 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 73 K C 2.200 178.883 176.600 0.138 0.000 1.036 73 K CA 1.558 57.934 56.287 0.147 0.000 0.965 73 K CB -0.292 32.328 32.500 0.199 0.000 0.804 73 K HN 0.141 nan 8.250 nan 0.000 0.454 74 S N 0.713 116.409 115.700 -0.007 0.000 2.406 74 S HA -0.016 4.454 4.470 -0.000 0.000 0.224 74 S C 0.669 175.259 174.600 -0.016 0.000 1.030 74 S CA 0.096 58.303 58.200 0.012 0.000 0.958 74 S CB -0.238 62.958 63.200 -0.006 0.000 0.811 74 S HN 0.232 nan 8.310 nan 0.000 0.489 75 R N 1.332 121.775 120.500 -0.095 0.000 3.502 75 R HA -0.179 4.161 4.340 -0.000 0.000 0.266 75 R C 1.108 177.407 176.300 -0.000 0.000 1.077 75 R CA 0.274 56.338 56.100 -0.061 0.000 0.718 75 R CB -2.424 27.861 30.300 -0.025 0.000 1.120 75 R HN 0.913 nan 8.270 nan 0.000 0.457 76 G N -1.284 107.532 108.800 0.027 0.000 2.279 76 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.223 76 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.223 76 G C 0.221 175.163 174.900 0.070 0.000 1.015 76 G CA 0.225 45.370 45.100 0.075 0.000 0.621 76 G HN 0.287 nan 8.290 nan 0.000 0.506 77 R N -0.384 120.144 120.500 0.047 0.000 2.608 77 R HA 0.911 5.251 4.340 -0.000 0.000 0.255 77 R C -0.816 175.510 176.300 0.043 0.000 1.086 77 R CA -0.619 55.505 56.100 0.039 0.000 1.125 77 R CB 1.104 31.416 30.300 0.019 0.000 1.193 77 R HN 0.439 nan 8.270 nan 0.000 0.553 78 L N -0.099 121.140 121.223 0.027 0.000 2.545 78 L HA 0.244 4.584 4.340 -0.000 0.000 0.258 78 L C -0.513 176.348 176.870 -0.015 0.000 0.942 78 L CA -0.649 54.203 54.840 0.020 0.000 0.855 78 L CB 1.533 43.615 42.059 0.038 0.000 1.374 78 L HN 1.017 nan 8.230 nan 0.000 0.411 79 C N 2.589 121.864 119.300 -0.041 0.000 2.470 79 C HA 0.587 5.047 4.460 -0.000 0.000 0.350 79 C C -0.975 173.969 174.990 -0.077 0.000 1.341 79 C CA -0.821 58.151 59.018 -0.078 0.000 2.440 79 C CB 0.887 28.555 27.740 -0.120 0.000 2.295 79 C HN 0.807 nan 8.230 nan 0.000 0.645 80 P HA -0.158 nan 4.420 nan 0.000 0.216 80 P C 1.433 178.658 177.300 -0.125 0.000 1.153 80 P CA 1.849 64.887 63.100 -0.104 0.000 0.858 80 P CB -0.112 31.517 31.700 -0.118 0.000 0.789 81 R N -0.441 119.971 120.500 -0.147 0.000 2.120 81 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 81 R C 2.749 178.975 176.300 -0.124 0.000 1.123 81 R CA 1.506 57.509 56.100 -0.161 0.000 0.975 81 R CB -1.173 29.011 30.300 -0.194 0.000 0.866 81 R HN 0.273 nan 8.270 nan 0.000 0.446 82 G N 0.437 109.183 108.800 -0.091 0.000 2.394 82 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 82 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 82 G C 1.293 176.180 174.900 -0.023 0.000 1.165 82 G CA 0.146 45.217 45.100 -0.048 0.000 0.784 82 G HN 0.175 nan 8.290 nan 0.000 0.535 83 Q N 0.312 120.089 119.800 -0.038 0.000 2.119 83 Q HA -0.041 4.299 4.340 -0.000 0.000 0.201 83 Q C 2.674 178.632 176.000 -0.068 0.000 0.972 83 Q CA 1.475 57.258 55.803 -0.034 0.000 0.847 83 Q CB -0.528 28.189 28.738 -0.035 0.000 0.903 83 Q HN 0.471 nan 8.270 nan 0.000 0.433 84 G N 0.058 108.793 108.800 -0.108 0.000 2.777 84 G HA2 0.115 4.075 3.960 -0.000 0.000 0.211 84 G HA3 0.115 4.075 3.960 -0.000 0.000 0.211 84 G C 1.507 176.327 174.900 -0.134 0.000 1.149 84 G CA 0.561 45.563 45.100 -0.163 0.000 0.785 84 G HN 0.368 nan 8.290 nan 0.000 0.536 85 A N 1.856 124.632 122.820 -0.073 0.000 1.997 85 A HA -0.054 4.266 4.320 -0.000 0.000 0.221 85 A C 0.523 178.149 177.584 0.070 0.000 1.172 85 A CA 1.803 53.831 52.037 -0.014 0.000 0.645 85 A CB -1.070 17.919 19.000 -0.019 0.000 0.813 85 A HN 0.358 nan 8.150 nan 0.000 0.454 86 P HA -0.134 nan 4.420 nan 0.000 0.226 86 P C 1.336 178.569 177.300 -0.113 0.000 1.153 86 P CA 1.429 64.519 63.100 -0.016 0.000 0.777 86 P CB -0.041 31.660 31.700 0.002 0.000 0.794 87 Q N -0.964 118.756 119.800 -0.134 0.000 2.364 87 Q HA -0.082 4.258 4.340 -0.000 0.000 0.207 87 Q C 1.463 177.327 176.000 -0.226 0.000 0.970 87 Q CA 1.862 57.571 55.803 -0.156 0.000 0.888 87 Q CB -1.913 26.633 28.738 -0.319 0.000 0.951 87 Q HN 0.025 nan 8.270 nan 0.000 0.469 88 T N 0.164 114.597 114.554 -0.202 0.000 2.833 88 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 88 T C 1.457 175.975 174.700 -0.303 0.000 1.054 88 T CA 1.727 63.722 62.100 -0.175 0.000 1.135 88 T CB -0.471 68.341 68.868 -0.093 0.000 0.869 88 T HN 0.533 nan 8.240 nan 0.000 0.466 89 T N 0.682 114.905 114.554 -0.552 0.000 2.915 89 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 89 T C 0.541 174.506 174.700 -1.226 0.000 1.071 89 T CA 0.937 62.525 62.100 -0.853 0.000 1.132 89 T CB -0.291 67.810 68.868 -1.278 0.000 0.878 89 T HN 0.597 nan 8.240 nan 0.000 0.479 90 Y N 0.832 120.729 120.300 -0.671 0.000 2.722 90 Y HA 0.417 4.967 4.550 -0.000 0.000 0.314 90 Y C 0.004 175.398 175.900 -0.843 0.000 1.008 90 Y CA -1.453 55.685 58.100 -1.603 0.000 1.294 90 Y CB 0.300 38.122 38.460 -1.063 0.000 1.231 90 Y HN -0.019 nan 8.280 nan 0.000 0.558 91 D N 2.312 122.550 120.400 -0.269 0.000 2.329 91 D HA 0.187 4.827 4.640 -0.000 0.000 0.232 91 D C -1.772 174.730 176.300 0.337 0.000 1.088 91 D CA -2.844 51.216 54.000 0.099 0.000 0.835 91 D CB 1.989 42.800 40.800 0.018 0.000 1.078 91 D HN -0.007 nan 8.370 nan 0.000 0.495 92 P HA -0.092 nan 4.420 nan 0.000 0.226 92 P C -0.013 177.345 177.300 0.097 0.000 1.146 92 P CA 0.842 64.122 63.100 0.300 0.000 0.773 92 P CB 0.504 32.333 31.700 0.214 0.000 0.772 93 D N -0.890 119.554 120.400 0.074 0.000 2.379 93 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 93 D C 1.087 177.365 176.300 -0.035 0.000 1.065 93 D CA 0.009 54.005 54.000 -0.006 0.000 0.848 93 D CB -0.155 40.643 40.800 -0.003 0.000 0.949 93 D HN 0.364 nan 8.370 nan 0.000 0.509 94 R N 1.380 121.883 120.500 0.005 0.000 2.522 94 R HA 0.121 4.461 4.340 -0.000 0.000 0.284 94 R C 0.075 176.317 176.300 -0.098 0.000 1.032 94 R CA -0.274 55.815 56.100 -0.019 0.000 1.049 94 R CB 0.395 30.723 30.300 0.046 0.000 0.956 94 R HN -0.111 nan 8.270 nan 0.000 0.422 95 L N 3.846 125.009 121.223 -0.101 0.000 2.578 95 L HA -0.078 4.262 4.340 -0.000 0.000 0.279 95 L C 0.794 177.584 176.870 -0.134 0.000 1.227 95 L CA 0.615 55.370 54.840 -0.141 0.000 0.900 95 L CB 0.328 42.312 42.059 -0.126 0.000 1.144 95 L HN 0.862 nan 8.230 nan 0.000 0.496 96 K N 2.142 122.419 120.400 -0.206 0.000 2.412 96 K HA 0.218 4.538 4.320 -0.000 0.000 0.201 96 K C 0.013 176.578 176.600 -0.058 0.000 1.275 96 K CA -0.171 56.021 56.287 -0.157 0.000 0.910 96 K CB 0.416 32.610 32.500 -0.511 0.000 1.346 96 K HN 0.406 nan 8.250 nan 0.000 0.490 97 R N 1.168 121.579 120.500 -0.148 0.000 2.720 97 R HA 0.400 4.740 4.340 -0.000 0.000 0.272 97 R C -2.761 173.340 176.300 -0.331 0.000 0.991 97 R CA -2.272 53.713 56.100 -0.191 0.000 1.010 97 R CB 0.007 30.208 30.300 -0.165 0.000 1.141 97 R HN -0.136 nan 8.270 nan 0.000 0.494 98 P HA 0.142 nan 4.420 nan 0.000 0.272 98 P C -0.787 176.295 177.300 -0.362 0.000 1.230 98 P CA 0.065 62.803 63.100 -0.603 0.000 0.788 98 P CB 0.584 31.788 31.700 -0.826 0.000 0.949 99 L N 1.802 122.840 121.223 -0.307 0.000 2.445 99 L HA 0.545 4.885 4.340 -0.000 0.000 0.262 99 L C -0.226 176.589 176.870 -0.093 0.000 0.974 99 L CA -0.642 54.088 54.840 -0.184 0.000 0.822 99 L CB 1.999 43.904 42.059 -0.257 0.000 1.339 99 L HN 0.197 nan 8.230 nan 0.000 0.409 100 I N 1.694 122.248 120.570 -0.026 0.000 2.569 100 I HA 0.427 4.597 4.170 -0.000 0.000 0.296 100 I C 0.054 176.150 176.117 -0.034 0.000 1.028 100 I CA -0.735 60.515 61.300 -0.084 0.000 1.082 100 I CB 2.223 40.050 38.000 -0.289 0.000 1.264 100 I HN 0.519 nan 8.210 nan 0.000 0.429 101 R N 3.884 124.309 120.500 -0.126 0.000 2.458 101 R HA 0.186 4.526 4.340 -0.000 0.000 0.303 101 R C -0.684 175.438 176.300 -0.297 0.000 1.013 101 R CA -0.248 55.609 56.100 -0.404 0.000 1.026 101 R CB 0.550 30.668 30.300 -0.303 0.000 0.948 101 R HN 0.412 nan 8.270 nan 0.000 0.417 102 V N 4.803 124.522 119.914 -0.325 0.000 2.584 102 V HA -0.111 4.009 4.120 -0.000 0.000 0.303 102 V C 0.729 176.724 176.094 -0.165 0.000 1.035 102 V CA 0.698 62.875 62.300 -0.205 0.000 1.172 102 V CB 0.593 32.301 31.823 -0.192 0.000 0.896 102 V HN 0.655 nan 8.190 nan 0.000 0.486 103 E N 3.359 123.493 120.200 -0.111 0.000 2.415 103 E HA 0.328 4.678 4.350 -0.000 0.000 0.263 103 E C 1.104 177.659 176.600 -0.074 0.000 0.995 103 E CA 1.066 57.422 56.400 -0.075 0.000 0.915 103 E CB 0.685 30.361 29.700 -0.040 0.000 0.951 103 E HN 0.941 nan 8.360 nan 0.000 0.449 104 G N 2.850 111.609 108.800 -0.068 0.000 2.213 104 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 104 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 104 G C 0.249 175.097 174.900 -0.087 0.000 0.991 104 G CA 0.368 45.429 45.100 -0.064 0.000 0.629 104 G HN 0.795 nan 8.290 nan 0.000 0.517 105 S N 0.516 116.143 115.700 -0.122 0.000 2.525 105 S HA 0.706 5.176 4.470 -0.000 0.000 0.278 105 S C -0.000 174.502 174.600 -0.162 0.000 1.234 105 S CA -0.363 57.747 58.200 -0.151 0.000 1.058 105 S CB 2.311 65.390 63.200 -0.201 0.000 0.983 105 S HN 0.351 nan 8.310 nan 0.000 0.495 106 Q N 1.465 121.168 119.800 -0.162 0.000 2.395 106 Q HA 0.249 4.589 4.340 -0.000 0.000 0.271 106 Q C -0.017 175.832 176.000 -0.252 0.000 1.026 106 Q CA 0.503 56.199 55.803 -0.177 0.000 0.900 106 Q CB 0.361 28.990 28.738 -0.181 0.000 1.266 106 Q HN 0.662 nan 8.270 nan 0.000 0.430 107 R N 0.723 121.078 120.500 -0.241 0.000 2.370 107 R HA 0.364 4.704 4.340 -0.000 0.000 0.309 107 R C 0.722 176.513 176.300 -0.849 0.000 1.059 107 R CA 1.011 56.934 56.100 -0.295 0.000 0.981 107 R CB 0.134 30.420 30.300 -0.024 0.000 0.972 107 R HN 0.933 nan 8.270 nan 0.000 0.437 108 G N 2.511 110.686 108.800 -1.042 0.000 3.131 108 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.198 108 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.198 108 G C 0.006 174.573 174.900 -0.556 0.000 1.435 108 G CA -0.283 43.860 45.100 -1.594 0.000 1.016 108 G HN 0.590 nan 8.290 nan 0.000 0.499 109 E N 1.417 121.377 120.200 -0.400 0.000 2.467 109 E HA 0.397 4.747 4.350 -0.000 0.000 0.264 109 E C 1.112 177.604 176.600 -0.182 0.000 1.020 109 E CA 0.470 56.740 56.400 -0.217 0.000 0.945 109 E CB 0.393 29.968 29.700 -0.209 0.000 0.942 109 E HN 0.613 nan 8.360 nan 0.000 0.449 110 G N 3.816 112.568 108.800 -0.081 0.000 4.125 110 G HA2 0.086 4.046 3.960 -0.000 0.000 0.301 110 G HA3 0.086 4.046 3.960 -0.000 0.000 0.301 110 G C -0.409 174.480 174.900 -0.017 0.000 1.273 110 G CA -0.347 44.773 45.100 0.033 0.000 1.095 110 G HN 0.278 nan 8.290 nan 0.000 0.582 111 K N 0.962 121.193 120.400 -0.282 0.000 2.285 111 K HA 0.514 4.834 4.320 -0.000 0.000 0.286 111 K C -1.081 175.103 176.600 -0.694 0.000 1.072 111 K CA -0.108 55.984 56.287 -0.325 0.000 0.913 111 K CB 0.580 32.926 32.500 -0.256 0.000 1.067 111 K HN 0.342 nan 8.250 nan 0.000 0.479 112 Y N 1.041 121.282 120.300 -0.097 0.000 2.605 112 Y HA 0.518 5.067 4.550 -0.000 0.000 0.343 112 Y C -0.185 175.649 175.900 -0.110 0.000 1.036 112 Y CA -1.062 56.970 58.100 -0.114 0.000 1.065 112 Y CB 1.941 40.328 38.460 -0.123 0.000 1.288 112 Y HN 0.411 nan 8.280 nan 0.000 0.481 113 R N 0.300 120.824 120.500 0.040 0.000 2.673 113 R HA 0.731 5.071 4.340 -0.000 0.000 0.281 113 R C -1.787 174.491 176.300 -0.037 0.000 0.991 113 R CA -0.953 55.135 56.100 -0.020 0.000 0.896 113 R CB 1.737 32.002 30.300 -0.059 0.000 1.201 113 R HN 0.516 nan 8.270 nan 0.000 0.457 114 V N 1.694 121.574 119.914 -0.057 0.000 2.999 114 V HA 0.519 4.639 4.120 -0.000 0.000 0.307 114 V C -0.093 175.939 176.094 -0.104 0.000 1.084 114 V CA 0.800 63.045 62.300 -0.092 0.000 1.155 114 V CB 0.924 32.697 31.823 -0.083 0.000 0.975 114 V HN 1.037 nan 8.190 nan 0.000 0.490 115 A N 4.311 127.043 122.820 -0.146 0.000 2.564 115 A HA 0.755 5.075 4.320 -0.000 0.000 0.288 115 A C -0.350 177.136 177.584 -0.162 0.000 1.164 115 A CA -0.381 51.572 52.037 -0.141 0.000 0.712 115 A CB 1.822 20.723 19.000 -0.166 0.000 1.303 115 A HN 0.771 nan 8.150 nan 0.000 0.418 116 T N -0.716 113.778 114.554 -0.100 0.000 2.928 116 T HA 0.354 4.704 4.350 -0.000 0.000 0.284 116 T C 0.637 175.318 174.700 -0.032 0.000 1.008 116 T CA -0.046 62.030 62.100 -0.040 0.000 1.057 116 T CB 0.309 69.200 68.868 0.038 0.000 1.018 116 T HN 0.509 nan 8.240 nan 0.000 0.493 117 W N 1.305 122.648 121.300 0.072 0.000 2.342 117 W HA -0.098 4.562 4.660 -0.000 0.000 0.297 117 W C 2.086 178.688 176.519 0.138 0.000 1.213 117 W CA 0.846 58.273 57.345 0.136 0.000 1.251 117 W CB 0.032 29.628 29.460 0.226 0.000 1.136 117 W HN 0.794 nan 8.180 nan 0.000 0.526 118 E N -0.040 120.367 120.200 0.345 0.000 2.031 118 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 118 E C 1.786 178.475 176.600 0.148 0.000 0.994 118 E CA 1.872 58.405 56.400 0.222 0.000 0.800 118 E CB -0.760 29.041 29.700 0.168 0.000 0.752 118 E HN 0.420 nan 8.360 nan 0.000 0.447 119 E N 0.769 121.031 120.200 0.103 0.000 2.077 119 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 119 E C 1.914 178.557 176.600 0.072 0.000 0.989 119 E CA 1.401 57.842 56.400 0.069 0.000 0.800 119 E CB -0.226 29.488 29.700 0.024 0.000 0.746 119 E HN 0.206 nan 8.360 nan 0.000 0.452 120 A N 0.900 123.738 122.820 0.030 0.000 1.898 120 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 120 A C 2.282 179.935 177.584 0.115 0.000 1.181 120 A CA 1.196 53.236 52.037 0.004 0.000 0.620 120 A CB -0.638 18.275 19.000 -0.144 0.000 0.819 120 A HN 0.361 nan 8.150 nan 0.000 0.442 121 L N -0.621 120.705 121.223 0.171 0.000 2.141 121 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 121 L C 1.923 178.870 176.870 0.129 0.000 1.094 121 L CA 1.174 56.122 54.840 0.180 0.000 0.763 121 L CB -0.490 41.686 42.059 0.195 0.000 0.908 121 L HN 0.303 nan 8.230 nan 0.000 0.437 122 D N -1.278 119.195 120.400 0.122 0.000 2.103 122 D HA -0.203 4.437 4.640 -0.000 0.000 0.199 122 D C 2.056 178.415 176.300 0.099 0.000 0.978 122 D CA 0.993 55.050 54.000 0.095 0.000 0.829 122 D CB -0.227 40.627 40.800 0.090 0.000 0.981 122 D HN 0.291 nan 8.370 nan 0.000 0.464 123 H N 0.542 119.630 119.070 0.030 0.000 2.387 123 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 123 H C 2.202 177.541 175.328 0.019 0.000 1.099 123 H CA 1.066 57.124 56.048 0.016 0.000 1.315 123 H CB -0.101 29.658 29.762 -0.005 0.000 1.380 123 H HN 0.144 nan 8.280 nan 0.000 0.513 124 I N 0.561 121.200 120.570 0.115 0.000 2.163 124 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 124 I C 3.039 179.186 176.117 0.049 0.000 1.081 124 I CA 1.052 62.394 61.300 0.070 0.000 1.353 124 I CB -0.410 37.668 38.000 0.130 0.000 1.054 124 I HN 0.230 nan 8.210 nan 0.000 0.407 125 A N 0.449 123.313 122.820 0.073 0.000 1.908 125 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 125 A C 2.396 180.017 177.584 0.061 0.000 1.181 125 A CA 1.714 53.797 52.037 0.076 0.000 0.627 125 A CB -0.564 18.482 19.000 0.076 0.000 0.818 125 A HN 0.253 nan 8.150 nan 0.000 0.445 126 K N -0.286 120.123 120.400 0.015 0.000 2.020 126 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 126 K C 1.986 178.577 176.600 -0.015 0.000 1.050 126 K CA 1.671 57.954 56.287 -0.007 0.000 0.929 126 K CB -0.227 32.240 32.500 -0.055 0.000 0.714 126 K HN 0.281 nan 8.250 nan 0.000 0.443 127 K N 0.322 120.671 120.400 -0.085 0.000 2.057 127 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 127 K C 2.225 178.848 176.600 0.039 0.000 1.049 127 K CA 1.229 57.477 56.287 -0.064 0.000 0.931 127 K CB -0.185 32.227 32.500 -0.147 0.000 0.714 127 K HN 0.279 nan 8.250 nan 0.000 0.440 128 M N 0.447 120.082 119.600 0.058 0.000 2.159 128 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 128 M C 2.182 178.667 176.300 0.308 0.000 1.063 128 M CA 1.334 56.699 55.300 0.108 0.000 1.110 128 M CB -0.288 32.288 32.600 -0.040 0.000 1.374 128 M HN 0.043 nan 8.290 nan 0.000 0.411 129 L N -0.361 121.020 121.223 0.264 0.000 2.109 129 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 129 L C 2.221 179.211 176.870 0.200 0.000 1.086 129 L CA 1.171 56.179 54.840 0.280 0.000 0.760 129 L CB -0.539 41.629 42.059 0.182 0.000 0.910 129 L HN 0.325 nan 8.230 nan 0.000 0.437 130 E N 0.359 120.648 120.200 0.149 0.000 2.072 130 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 130 E C 2.263 178.974 176.600 0.185 0.000 0.985 130 E CA 1.117 57.590 56.400 0.122 0.000 0.801 130 E CB -0.073 29.679 29.700 0.087 0.000 0.750 130 E HN 0.460 nan 8.360 nan 0.000 0.452 131 I N 0.739 121.461 120.570 0.253 0.000 2.361 131 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 131 I C 2.607 178.968 176.117 0.407 0.000 1.133 131 I CA 0.889 62.418 61.300 0.382 0.000 1.413 131 I CB -0.102 38.066 38.000 0.279 0.000 1.073 131 I HN -0.009 nan 8.210 nan 0.000 0.424 132 R N 0.529 121.233 120.500 0.340 0.000 2.236 132 R HA -0.095 4.245 4.340 -0.000 0.000 0.208 132 R C 1.634 177.988 176.300 0.090 0.000 1.036 132 R CA 0.852 57.095 56.100 0.239 0.000 1.001 132 R CB 0.208 30.640 30.300 0.220 0.000 0.896 132 R HN 0.282 nan 8.270 nan 0.000 0.464 133 E N 0.555 120.801 120.200 0.078 0.000 2.216 133 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 133 E C 1.344 177.911 176.600 -0.055 0.000 0.973 133 E CA 0.869 57.267 56.400 -0.002 0.000 0.851 133 E CB 0.180 29.879 29.700 -0.001 0.000 0.804 133 E HN 0.452 nan 8.360 nan 0.000 0.477 134 K N -0.887 119.459 120.400 -0.091 0.000 2.353 134 K HA 0.110 4.430 4.320 -0.000 0.000 0.195 134 K C 0.741 177.093 176.600 -0.414 0.000 1.031 134 K CA 0.281 56.397 56.287 -0.285 0.000 1.079 134 K CB 0.252 32.510 32.500 -0.403 0.000 0.857 134 K HN 0.104 nan 8.250 nan 0.000 0.535 135 Y N 0.882 121.210 120.300 0.047 0.000 2.452 135 Y HA 0.282 4.832 4.550 -0.000 0.000 0.262 135 Y C 0.894 176.818 175.900 0.040 0.000 1.089 135 Y CA 0.107 58.245 58.100 0.064 0.000 1.262 135 Y CB 1.550 40.078 38.460 0.114 0.000 1.236 135 Y HN 0.273 nan 8.280 nan 0.000 0.512 136 G N 1.025 109.924 108.800 0.166 0.000 2.612 136 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 136 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 136 G C -2.484 172.491 174.900 0.125 0.000 1.274 136 G CA -0.518 44.611 45.100 0.049 0.000 0.849 136 G HN -0.092 nan 8.290 nan 0.000 0.595 137 P HA 0.096 nan 4.420 nan 0.000 0.236 137 P C 0.937 178.536 177.300 0.499 0.000 1.177 137 P CA 1.117 64.312 63.100 0.159 0.000 0.773 137 P CB 0.120 31.366 31.700 -0.758 0.000 0.878 138 E N 0.254 120.610 120.200 0.259 0.000 2.511 138 E HA 0.079 4.429 4.350 -0.000 0.000 0.196 138 E C 1.730 178.567 176.600 0.395 0.000 1.066 138 E CA 0.520 57.096 56.400 0.293 0.000 0.871 138 E CB -0.619 29.124 29.700 0.073 0.000 0.863 138 E HN 0.207 nan 8.360 nan 0.000 0.520 139 A N 0.851 123.882 122.820 0.352 0.000 2.302 139 A HA 0.162 4.482 4.320 -0.000 0.000 0.219 139 A C 0.416 178.093 177.584 0.155 0.000 1.243 139 A CA 0.043 52.230 52.037 0.250 0.000 0.856 139 A CB -0.129 18.964 19.000 0.154 0.000 0.893 139 A HN 0.125 nan 8.150 nan 0.000 0.491 140 I N 0.835 121.543 120.570 0.231 0.000 2.410 140 I HA 0.442 4.612 4.170 -0.000 0.000 0.286 140 I C 0.181 176.226 176.117 -0.120 0.000 1.009 140 I CA -0.484 60.804 61.300 -0.020 0.000 1.111 140 I CB 1.667 39.611 38.000 -0.093 0.000 1.262 140 I HN 0.167 nan 8.210 nan 0.000 0.443 141 A N 6.665 129.319 122.820 -0.276 0.000 2.310 141 A HA 0.775 5.095 4.320 -0.000 0.000 0.299 141 A C -1.067 176.231 177.584 -0.477 0.000 1.147 141 A CA -0.142 51.767 52.037 -0.214 0.000 0.818 141 A CB 0.321 19.107 19.000 -0.357 0.000 1.096 141 A HN 0.561 nan 8.150 nan 0.000 0.495 142 F N 1.834 121.831 119.950 0.077 0.000 2.434 142 F HA 0.436 4.963 4.527 -0.000 0.000 0.355 142 F C -0.426 175.610 175.800 0.393 0.000 1.115 142 F CA -0.145 57.963 58.000 0.179 0.000 1.010 142 F CB 1.211 40.275 39.000 0.105 0.000 1.234 142 F HN 0.472 nan 8.300 nan 0.000 0.439 143 F N 1.446 121.574 119.950 0.296 0.000 2.450 143 F HA 0.828 5.355 4.527 -0.000 0.000 0.332 143 F C 0.680 176.637 175.800 0.262 0.000 1.093 143 F CA -0.973 57.143 58.000 0.194 0.000 1.003 143 F CB 2.220 41.271 39.000 0.086 0.000 1.151 143 F HN 0.552 nan 8.300 nan 0.000 0.474 144 G N 1.173 110.206 108.800 0.388 0.000 2.523 144 G HA2 0.453 4.412 3.960 -0.000 0.000 0.291 144 G HA3 0.453 4.412 3.960 -0.000 0.000 0.291 144 G C -2.571 172.520 174.900 0.319 0.000 1.450 144 G CA -0.534 44.828 45.100 0.436 0.000 0.790 144 G HN 0.782 nan 8.290 nan 0.000 0.496 145 H N -1.585 117.641 119.070 0.261 0.000 2.981 145 H HA 0.561 5.117 4.556 -0.000 0.000 0.327 145 H C 0.215 175.634 175.328 0.152 0.000 1.342 145 H CA 0.087 56.167 56.048 0.054 0.000 1.123 145 H CB 2.341 32.083 29.762 -0.033 0.000 1.851 145 H HN 2.051 nan 8.280 nan 0.000 0.531 146 G N 0.188 108.919 108.800 -0.116 0.000 2.756 146 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.678 146 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.678 146 G C 0.751 175.807 174.900 0.261 0.000 1.349 146 G CA -0.047 45.148 45.100 0.159 0.000 0.847 146 G HN 0.614 nan 8.290 nan 0.000 0.548 147 T N 0.599 115.332 114.554 0.299 0.000 2.624 147 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 147 T C 2.531 177.439 174.700 0.346 0.000 1.041 147 T CA 2.844 65.110 62.100 0.277 0.000 1.159 147 T CB -0.700 68.329 68.868 0.268 0.000 0.863 147 T HN 1.791 nan 8.240 nan 0.000 0.434 148 G N 2.121 111.230 108.800 0.514 0.000 2.916 148 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.205 148 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.205 148 G C 0.972 176.024 174.900 0.253 0.000 1.163 148 G CA 0.728 46.130 45.100 0.504 0.000 0.821 148 G HN 0.679 nan 8.290 nan 0.000 0.515 149 D N -0.585 120.031 120.400 0.360 0.000 2.347 149 D HA -0.139 4.501 4.640 -0.000 0.000 0.215 149 D C 1.659 178.056 176.300 0.163 0.000 0.976 149 D CA -0.114 54.077 54.000 0.317 0.000 0.884 149 D CB -0.423 40.598 40.800 0.369 0.000 0.915 149 D HN 0.357 nan 8.370 nan 0.000 0.526 150 Y N 0.503 120.774 120.300 -0.049 0.000 2.145 150 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 150 Y C 1.593 177.304 175.900 -0.314 0.000 1.145 150 Y CA 1.507 59.453 58.100 -0.258 0.000 1.148 150 Y CB -0.649 37.495 38.460 -0.528 0.000 0.981 150 Y HN -0.049 nan 8.280 nan 0.000 0.507 151 W N -1.056 120.107 121.300 -0.228 0.000 2.407 151 W HA -0.092 4.568 4.660 -0.000 0.000 0.305 151 W C 2.136 178.284 176.519 -0.617 0.000 1.196 151 W CA 1.131 58.179 57.345 -0.495 0.000 1.311 151 W CB -0.860 28.303 29.460 -0.495 0.000 1.135 151 W HN -0.004 nan 8.180 nan 0.000 0.514 152 F N -1.109 118.838 119.950 -0.004 0.000 2.219 152 F HA -0.073 4.454 4.527 -0.000 0.000 0.294 152 F C 2.109 177.905 175.800 -0.007 0.000 1.086 152 F CA 0.954 58.941 58.000 -0.022 0.000 1.330 152 F CB -1.023 37.962 39.000 -0.025 0.000 1.047 152 F HN -0.354 nan 8.300 nan 0.000 0.495 153 V N -0.820 119.197 119.914 0.171 0.000 2.685 153 V HA -0.090 4.030 4.120 -0.000 0.000 0.244 153 V C 1.441 177.545 176.094 0.017 0.000 1.054 153 V CA 1.412 63.802 62.300 0.149 0.000 1.076 153 V CB -0.178 31.778 31.823 0.221 0.000 0.725 153 V HN 0.186 nan 8.190 nan 0.000 0.467 154 D N -1.179 119.187 120.400 -0.057 0.000 2.259 154 D HA 0.022 4.662 4.640 -0.000 0.000 0.216 154 D C 1.682 177.873 176.300 -0.183 0.000 0.961 154 D CA 0.838 54.790 54.000 -0.079 0.000 0.878 154 D CB 0.226 41.031 40.800 0.009 0.000 1.009 154 D HN 0.383 nan 8.370 nan 0.000 0.490 155 F N 0.832 120.440 119.950 -0.570 0.000 2.204 155 F HA 0.030 4.557 4.527 -0.000 0.000 0.276 155 F C 2.038 177.602 175.800 -0.393 0.000 1.085 155 F CA 0.119 57.782 58.000 -0.562 0.000 1.160 155 F CB -0.480 37.975 39.000 -0.909 0.000 1.091 155 F HN -0.241 nan 8.300 nan 0.000 0.522 156 L N 1.483 122.608 121.223 -0.163 0.000 2.010 156 L HA -0.194 4.146 4.340 -0.000 0.000 0.219 156 L C -0.825 175.694 176.870 -0.585 0.000 1.077 156 L CA 2.505 57.155 54.840 -0.316 0.000 0.773 156 L CB -2.112 39.692 42.059 -0.425 0.000 0.892 156 L HN 0.072 nan 8.230 nan 0.000 0.436 157 P HA -0.137 nan 4.420 nan 0.000 0.215 157 P C 1.507 178.615 177.300 -0.321 0.000 1.153 157 P CA 2.065 64.683 63.100 -0.804 0.000 0.853 157 P CB -0.133 31.234 31.700 -0.556 0.000 0.788 158 A N -0.161 122.459 122.820 -0.332 0.000 1.929 158 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 158 A C 2.285 179.628 177.584 -0.401 0.000 1.176 158 A CA 1.677 53.543 52.037 -0.285 0.000 0.628 158 A CB -1.507 17.327 19.000 -0.278 0.000 0.816 158 A HN 0.175 nan 8.150 nan 0.000 0.444 159 A N -1.438 121.003 122.820 -0.633 0.000 2.067 159 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 159 A C 1.976 179.367 177.584 -0.322 0.000 1.158 159 A CA 1.266 52.807 52.037 -0.826 0.000 0.661 159 A CB -0.650 17.681 19.000 -1.116 0.000 0.801 159 A HN 0.921 nan 8.150 nan 0.000 0.452 160 W N -0.150 120.925 121.300 -0.375 0.000 2.812 160 W HA 0.257 4.917 4.660 -0.000 0.000 0.263 160 W C 0.842 177.289 176.519 -0.120 0.000 1.284 160 W CA 1.177 58.403 57.345 -0.197 0.000 1.430 160 W CB 0.039 29.381 29.460 -0.196 0.000 1.088 160 W HN 0.674 nan 8.180 nan 0.000 0.623 161 G N 1.770 110.504 108.800 -0.109 0.000 2.131 161 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.201 161 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.201 161 G C -0.316 174.600 174.900 0.027 0.000 1.000 161 G CA 0.241 45.255 45.100 -0.144 0.000 0.680 161 G HN 0.356 nan 8.290 nan 0.000 0.514 162 S N 0.653 116.503 115.700 0.251 0.000 2.449 162 S HA 0.731 5.201 4.470 -0.000 0.000 0.310 162 S C -0.910 173.823 174.600 0.222 0.000 1.096 162 S CA -0.962 57.445 58.200 0.344 0.000 1.095 162 S CB 1.952 65.563 63.200 0.684 0.000 1.007 162 S HN 0.077 nan 8.310 nan 0.000 0.474 163 P HA 0.117 nan 4.420 nan 0.000 0.251 163 P C -0.317 177.128 177.300 0.241 0.000 1.223 163 P CA 0.090 63.287 63.100 0.160 0.000 0.796 163 P CB -0.010 31.732 31.700 0.071 0.000 1.068 164 N N 1.175 120.059 118.700 0.306 0.000 3.303 164 N HA 0.278 5.018 4.740 -0.000 0.000 0.304 164 N C -0.099 175.654 175.510 0.405 0.000 1.302 164 N CA 0.134 53.387 53.050 0.338 0.000 1.213 164 N CB 0.231 38.911 38.487 0.322 0.000 1.481 164 N HN 0.123 nan 8.380 nan 0.000 0.546 165 A N 0.376 123.405 122.820 0.349 0.000 2.331 165 A HA 0.875 5.195 4.320 -0.000 0.000 0.320 165 A C -0.459 177.289 177.584 0.274 0.000 1.138 165 A CA -0.579 51.676 52.037 0.363 0.000 0.790 165 A CB 1.360 20.504 19.000 0.239 0.000 1.206 165 A HN 0.349 nan 8.150 nan 0.000 0.470 166 A N 2.404 125.396 122.820 0.287 0.000 2.606 166 A HA 0.842 5.162 4.320 -0.000 0.000 0.293 166 A C -1.104 176.451 177.584 -0.048 0.000 1.082 166 A CA -0.820 51.253 52.037 0.059 0.000 0.685 166 A CB 1.411 20.353 19.000 -0.096 0.000 1.284 166 A HN 0.842 nan 8.150 nan 0.000 0.408 167 K N 1.049 121.342 120.400 -0.178 0.000 2.469 167 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 167 K C -2.593 173.750 176.600 -0.428 0.000 0.939 167 K CA -1.858 54.227 56.287 -0.337 0.000 0.812 167 K CB 2.639 34.929 32.500 -0.350 0.000 1.301 167 K HN 0.284 nan 8.250 nan 0.000 0.433 168 P HA -0.159 nan 4.420 nan 0.000 0.226 168 P C 0.708 177.828 177.300 -0.300 0.000 1.153 168 P CA 1.041 63.891 63.100 -0.417 0.000 0.777 168 P CB 0.079 31.551 31.700 -0.380 0.000 0.794 169 S N -1.967 113.532 115.700 -0.335 0.000 2.720 169 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 169 S C 1.506 176.073 174.600 -0.055 0.000 0.958 169 S CA -0.062 58.119 58.200 -0.032 0.000 0.943 169 S CB -0.682 62.637 63.200 0.199 0.000 0.779 169 S HN -0.023 nan 8.310 nan 0.000 0.526 170 V N 1.262 121.090 119.914 -0.144 0.000 2.948 170 V HA 0.119 4.239 4.120 -0.000 0.000 0.234 170 V C 2.191 178.170 176.094 -0.192 0.000 1.205 170 V CA 1.219 63.437 62.300 -0.137 0.000 1.234 170 V CB 0.480 32.228 31.823 -0.124 0.000 1.020 170 V HN 0.677 nan 8.190 nan 0.000 0.491 171 S N -1.362 114.195 115.700 -0.239 0.000 2.539 171 S HA 0.303 4.773 4.470 -0.000 0.000 0.221 171 S C 1.009 175.433 174.600 -0.292 0.000 0.987 171 S CA 0.052 58.074 58.200 -0.296 0.000 0.929 171 S CB 0.337 63.335 63.200 -0.336 0.000 0.832 171 S HN 0.371 nan 8.310 nan 0.000 0.492 172 L N 0.380 121.456 121.223 -0.245 0.000 3.014 172 L HA 0.479 4.819 4.340 -0.000 0.000 0.263 172 L C 0.841 177.646 176.870 -0.107 0.000 1.207 172 L CA -0.143 54.575 54.840 -0.203 0.000 1.017 172 L CB 0.974 42.903 42.059 -0.215 0.000 1.360 172 L HN 0.598 nan 8.230 nan 0.000 0.560 173 C N -2.608 116.606 119.300 -0.143 0.000 3.251 173 C HA 0.081 4.541 4.460 -0.000 0.000 0.224 173 C C 2.095 177.005 174.990 -0.134 0.000 2.525 173 C CA 0.496 59.476 59.018 -0.063 0.000 1.189 173 C CB 0.927 28.742 27.740 0.125 0.000 1.338 173 C HN 0.262 nan 8.230 nan 0.000 0.697 174 T N 0.712 115.223 114.554 -0.072 0.000 3.044 174 T HA 0.283 4.633 4.350 -0.000 0.000 0.250 174 T C 1.616 176.236 174.700 -0.132 0.000 1.081 174 T CA 1.207 63.264 62.100 -0.072 0.000 1.040 174 T CB -0.187 68.691 68.868 0.017 0.000 0.962 174 T HN 0.629 nan 8.240 nan 0.000 0.506 175 A N 2.739 125.456 122.820 -0.171 0.000 1.884 175 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 175 A C -0.036 177.399 177.584 -0.248 0.000 1.197 175 A CA 1.675 53.590 52.037 -0.203 0.000 0.637 175 A CB -1.667 17.182 19.000 -0.252 0.000 0.827 175 A HN 0.365 nan 8.150 nan 0.000 0.450 176 P HA -0.217 nan 4.420 nan 0.000 0.216 176 P C 1.524 178.640 177.300 -0.308 0.000 1.153 176 P CA 2.035 64.940 63.100 -0.325 0.000 0.858 176 P CB -0.194 31.299 31.700 -0.346 0.000 0.789 177 R N -0.987 119.368 120.500 -0.242 0.000 2.200 177 R HA 0.062 4.402 4.340 -0.000 0.000 0.208 177 R C 1.769 177.982 176.300 -0.145 0.000 1.033 177 R CA 0.913 56.903 56.100 -0.184 0.000 1.000 177 R CB -0.905 29.321 30.300 -0.124 0.000 0.906 177 R HN 0.023 nan 8.270 nan 0.000 0.462 178 E N 1.156 121.272 120.200 -0.140 0.000 2.107 178 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 178 E C 2.139 178.646 176.600 -0.155 0.000 0.982 178 E CA 1.058 57.400 56.400 -0.097 0.000 0.809 178 E CB -0.142 29.517 29.700 -0.069 0.000 0.756 178 E HN 0.212 nan 8.360 nan 0.000 0.459 179 V N 1.698 121.446 119.914 -0.276 0.000 2.270 179 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 179 V C 2.465 178.146 176.094 -0.688 0.000 1.043 179 V CA 1.779 63.788 62.300 -0.486 0.000 1.014 179 V CB -0.984 30.487 31.823 -0.587 0.000 0.645 179 V HN 0.236 nan 8.190 nan 0.000 0.447 180 A N -0.540 121.938 122.820 -0.570 0.000 1.892 180 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 180 A C 2.568 180.030 177.584 -0.204 0.000 1.188 180 A CA 2.659 54.432 52.037 -0.440 0.000 0.631 180 A CB -0.973 17.837 19.000 -0.316 0.000 0.822 180 A HN 0.483 nan 8.150 nan 0.000 0.447 181 S N -1.541 114.098 115.700 -0.101 0.000 2.383 181 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 181 S C 2.204 176.869 174.600 0.109 0.000 1.026 181 S CA 1.426 59.675 58.200 0.082 0.000 0.981 181 S CB -0.357 62.904 63.200 0.102 0.000 0.818 181 S HN 0.565 nan 8.310 nan 0.000 0.472 182 Q N -0.301 119.524 119.800 0.042 0.000 2.124 182 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 182 Q C 1.804 177.945 176.000 0.234 0.000 0.977 182 Q CA 1.193 57.074 55.803 0.130 0.000 0.850 182 Q CB -0.393 28.411 28.738 0.111 0.000 0.901 182 Q HN 0.691 nan 8.270 nan 0.000 0.429 183 W N -0.232 120.993 121.300 -0.125 0.000 2.409 183 W HA -0.041 4.619 4.660 -0.000 0.000 0.299 183 W C 2.244 178.735 176.519 -0.046 0.000 1.203 183 W CA 0.197 57.452 57.345 -0.150 0.000 1.298 183 W CB -0.997 28.325 29.460 -0.230 0.000 1.127 183 W HN -0.106 nan 8.180 nan 0.000 0.528 184 V N -1.313 118.668 119.914 0.111 0.000 2.407 184 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 184 V C 0.708 176.556 176.094 -0.409 0.000 1.041 184 V CA 1.194 63.378 62.300 -0.193 0.000 1.040 184 V CB -0.683 30.872 31.823 -0.448 0.000 0.671 184 V HN -0.220 nan 8.190 nan 0.000 0.455 185 F N -1.094 118.859 119.950 0.005 0.000 2.631 185 F HA 0.647 5.174 4.527 -0.000 0.000 0.350 185 F C 1.250 177.084 175.800 0.056 0.000 1.080 185 F CA -0.210 57.732 58.000 -0.096 0.000 1.026 185 F CB 1.229 39.995 39.000 -0.390 0.000 1.347 185 F HN -0.123 nan 8.300 nan 0.000 0.501 186 G N 0.190 109.160 108.800 0.282 0.000 3.371 186 G HA2 0.273 4.233 3.960 -0.000 0.000 0.248 186 G HA3 0.273 4.233 3.960 -0.000 0.000 0.248 186 G C -0.055 174.940 174.900 0.158 0.000 1.161 186 G CA -0.287 44.959 45.100 0.243 0.000 0.796 186 G HN 0.405 nan 8.290 nan 0.000 0.539 187 R N -0.168 120.420 120.500 0.147 0.000 2.919 187 R HA 0.552 4.892 4.340 -0.000 0.000 0.260 187 R C -2.873 173.483 176.300 0.093 0.000 1.067 187 R CA -2.103 54.052 56.100 0.092 0.000 1.003 187 R CB 1.125 31.446 30.300 0.035 0.000 1.192 187 R HN -0.111 nan 8.270 nan 0.000 0.488 188 P HA 0.206 nan 4.420 nan 0.000 0.279 188 P C 0.137 177.467 177.300 0.051 0.000 1.282 188 P CA -0.349 62.783 63.100 0.054 0.000 0.788 188 P CB 0.974 32.702 31.700 0.046 0.000 1.139 189 I N -1.396 119.208 120.570 0.057 0.000 2.927 189 I HA 0.218 4.388 4.170 -0.000 0.000 0.268 189 I C 1.199 177.363 176.117 0.077 0.000 1.153 189 I CA 1.427 62.771 61.300 0.074 0.000 1.459 189 I CB -0.310 37.751 38.000 0.101 0.000 1.149 189 I HN 0.670 nan 8.210 nan 0.000 0.443 190 G N -0.340 108.504 108.800 0.073 0.000 2.710 190 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.668 190 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.668 190 G C 0.541 175.497 174.900 0.094 0.000 1.320 190 G CA -0.423 44.719 45.100 0.071 0.000 0.860 190 G HN 0.335 nan 8.290 nan 0.000 0.538 191 G N -1.415 107.420 108.800 0.059 0.000 2.464 191 G HA2 0.125 4.085 3.960 -0.000 0.000 0.217 191 G HA3 0.125 4.085 3.960 -0.000 0.000 0.217 191 G C 0.810 175.666 174.900 -0.072 0.000 1.138 191 G CA 1.306 46.431 45.100 0.042 0.000 0.793 191 G HN 0.963 nan 8.290 nan 0.000 0.539 192 H N 1.860 120.824 119.070 -0.178 0.000 2.486 192 H HA 0.190 4.746 4.556 -0.000 0.000 0.239 192 H C -0.156 175.234 175.328 0.104 0.000 1.480 192 H CA -0.523 55.369 56.048 -0.260 0.000 1.324 192 H CB -0.180 29.438 29.762 -0.240 0.000 1.486 192 H HN 0.323 nan 8.280 nan 0.000 0.544 193 E N 3.571 123.951 120.200 0.300 0.000 2.820 193 E HA -0.056 4.294 4.350 -0.000 0.000 0.251 193 E C -2.156 174.561 176.600 0.195 0.000 0.944 193 E CA -1.282 55.275 56.400 0.261 0.000 0.955 193 E CB 0.436 30.311 29.700 0.292 0.000 0.904 193 E HN 0.401 nan 8.360 nan 0.000 0.513 194 P HA 0.053 nan 4.420 nan 0.000 0.271 194 P C -0.496 176.228 177.300 -0.959 0.000 1.601 194 P CA 0.001 62.677 63.100 -0.707 0.000 0.856 194 P CB -0.436 30.898 31.700 -0.610 0.000 1.820 195 I N 0.911 121.121 120.570 -0.600 0.000 2.365 195 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 195 I C 0.932 176.775 176.117 -0.455 0.000 1.004 195 I CA -0.245 60.566 61.300 -0.815 0.000 1.311 195 I CB 0.728 37.974 38.000 -1.256 0.000 1.401 195 I HN -0.172 nan 8.210 nan 0.000 0.491 196 D N 5.300 125.514 120.400 -0.310 0.000 2.619 196 D HA 0.101 4.741 4.640 -0.000 0.000 0.224 196 D C 0.605 176.954 176.300 0.081 0.000 1.133 196 D CA -0.105 53.973 54.000 0.130 0.000 1.017 196 D CB 0.113 41.076 40.800 0.273 0.000 1.077 196 D HN 0.402 nan 8.370 nan 0.000 0.503 197 W N 1.331 122.696 121.300 0.109 0.000 2.363 197 W HA -0.121 4.539 4.660 -0.000 0.000 0.296 197 W C 2.186 178.749 176.519 0.075 0.000 1.212 197 W CA 1.070 58.463 57.345 0.080 0.000 1.260 197 W CB -0.234 29.293 29.460 0.110 0.000 1.131 197 W HN 0.470 nan 8.180 nan 0.000 0.530 198 E N -0.318 120.097 120.200 0.359 0.000 2.268 198 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 198 E C 1.327 178.020 176.600 0.155 0.000 0.995 198 E CA 1.257 57.792 56.400 0.224 0.000 0.836 198 E CB -0.512 29.310 29.700 0.203 0.000 0.763 198 E HN 0.271 nan 8.360 nan 0.000 0.491 199 N N 0.636 119.425 118.700 0.149 0.000 2.220 199 N HA 0.169 4.909 4.740 -0.000 0.000 0.195 199 N C -0.100 175.448 175.510 0.063 0.000 1.123 199 N CA 0.500 53.603 53.050 0.088 0.000 0.874 199 N CB 0.785 39.311 38.487 0.066 0.000 0.995 199 N HN 0.199 nan 8.380 nan 0.000 0.498 200 A N 0.920 123.783 122.820 0.072 0.000 2.483 200 A HA 0.202 4.522 4.320 -0.000 0.000 0.238 200 A C 1.180 178.781 177.584 0.028 0.000 1.070 200 A CA 0.207 52.263 52.037 0.031 0.000 0.770 200 A CB 0.632 19.641 19.000 0.015 0.000 1.008 200 A HN 0.065 nan 8.150 nan 0.000 0.497 201 R N -0.435 120.064 120.500 -0.002 0.000 2.453 201 R HA 0.151 4.491 4.340 -0.000 0.000 0.233 201 R C -1.244 174.940 176.300 -0.193 0.000 0.895 201 R CA 0.512 56.569 56.100 -0.071 0.000 1.028 201 R CB 0.446 30.735 30.300 -0.018 0.000 1.255 201 R HN 0.765 nan 8.270 nan 0.000 0.571 202 Y N 0.173 120.302 120.300 -0.285 0.000 2.358 202 Y HA 0.452 5.002 4.550 -0.000 0.000 0.324 202 Y C -1.467 174.369 175.900 -0.107 0.000 1.123 202 Y CA -0.797 57.136 58.100 -0.278 0.000 1.067 202 Y CB 1.285 39.503 38.460 -0.403 0.000 1.230 202 Y HN -0.178 nan 8.280 nan 0.000 0.429 203 I N 6.830 127.259 120.570 -0.236 0.000 2.466 203 I HA 0.506 4.676 4.170 -0.000 0.000 0.289 203 I C -1.166 174.897 176.117 -0.091 0.000 1.026 203 I CA -1.189 60.069 61.300 -0.069 0.000 1.078 203 I CB 1.986 40.044 38.000 0.096 0.000 1.249 203 I HN 0.295 nan 8.210 nan 0.000 0.429 204 V N 7.228 127.152 119.914 0.017 0.000 2.357 204 V HA 0.403 4.523 4.120 -0.000 0.000 0.284 204 V C -0.059 176.140 176.094 0.175 0.000 1.018 204 V CA -0.507 61.851 62.300 0.096 0.000 0.841 204 V CB 1.546 33.460 31.823 0.152 0.000 0.991 204 V HN 0.466 nan 8.190 nan 0.000 0.437 205 L N 6.154 127.488 121.223 0.185 0.000 2.264 205 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 205 L C -0.335 176.705 176.870 0.284 0.000 1.044 205 L CA -0.282 54.687 54.840 0.216 0.000 0.807 205 L CB 1.400 43.525 42.059 0.109 0.000 1.192 205 L HN 0.489 nan 8.230 nan 0.000 0.425 206 I N 3.674 124.449 120.570 0.343 0.000 2.347 206 I HA 0.235 4.405 4.170 -0.000 0.000 0.283 206 I C 1.118 177.507 176.117 0.453 0.000 1.058 206 I CA -0.008 61.511 61.300 0.365 0.000 1.202 206 I CB 1.064 39.269 38.000 0.342 0.000 1.386 206 I HN 0.968 nan 8.210 nan 0.000 0.475 207 G N 3.966 112.962 108.800 0.326 0.000 2.189 207 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.267 207 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.267 207 G C 0.530 175.548 174.900 0.197 0.000 0.975 207 G CA -0.057 45.156 45.100 0.188 0.000 0.644 207 G HN 0.693 nan 8.290 nan 0.000 0.537 208 H N 1.969 121.144 119.070 0.174 0.000 3.232 208 H HA 0.274 4.830 4.556 -0.000 0.000 0.254 208 H C 0.997 176.383 175.328 0.096 0.000 1.213 208 H CA 0.224 56.367 56.048 0.159 0.000 1.503 208 H CB -0.816 29.037 29.762 0.151 0.000 1.563 208 H HN 0.738 nan 8.280 nan 0.000 0.490 209 H N 4.040 123.156 119.070 0.077 0.000 2.741 209 H HA 0.380 4.936 4.556 -0.000 0.000 0.282 209 H C -0.202 175.027 175.328 -0.165 0.000 1.122 209 H CA -0.784 55.204 56.048 -0.100 0.000 1.293 209 H CB 0.192 29.864 29.762 -0.150 0.000 1.415 209 H HN 0.332 nan 8.280 nan 0.000 0.472 210 I N 4.134 124.526 120.570 -0.297 0.000 2.315 210 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 210 I C 0.970 176.839 176.117 -0.414 0.000 1.006 210 I CA 0.478 61.477 61.300 -0.502 0.000 1.265 210 I CB 1.477 38.875 38.000 -1.002 0.000 1.387 210 I HN 1.136 nan 8.210 nan 0.000 0.475 211 G N 4.298 112.896 108.800 -0.338 0.000 2.428 211 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.199 211 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.199 211 G C 0.716 175.469 174.900 -0.245 0.000 1.005 211 G CA -0.083 44.882 45.100 -0.224 0.000 0.671 211 G HN 0.567 nan 8.290 nan 0.000 0.485 212 E N 0.234 120.220 120.200 -0.357 0.000 2.175 212 E HA 0.150 4.500 4.350 -0.000 0.000 0.195 212 E C 0.465 176.752 176.600 -0.522 0.000 0.934 212 E CA 0.332 56.503 56.400 -0.381 0.000 0.870 212 E CB 0.240 29.707 29.700 -0.387 0.000 0.838 212 E HN 0.388 nan 8.360 nan 0.000 0.474 213 D N 0.293 120.234 120.400 -0.766 0.000 2.317 213 D HA -0.003 4.637 4.640 -0.000 0.000 0.252 213 D C -0.351 175.661 176.300 -0.480 0.000 1.174 213 D CA 0.445 54.072 54.000 -0.621 0.000 0.866 213 D CB 1.397 41.904 40.800 -0.487 0.000 1.127 213 D HN -0.172 nan 8.370 nan 0.000 0.467 214 T N 3.229 117.510 114.554 -0.456 0.000 3.293 214 T HA 0.087 4.437 4.350 -0.000 0.000 0.276 214 T C -0.103 174.380 174.700 -0.361 0.000 1.003 214 T CA -0.358 61.526 62.100 -0.361 0.000 0.916 214 T CB -0.729 67.971 68.868 -0.280 0.000 1.134 214 T HN 0.452 nan 8.240 nan 0.000 0.530 215 H N 2.263 121.012 119.070 -0.535 0.000 3.157 215 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 215 H C 1.616 176.436 175.328 -0.846 0.000 0.961 215 H CA -0.519 54.984 56.048 -0.907 0.000 1.428 215 H CB 0.628 29.546 29.762 -1.406 0.000 1.459 215 H HN 0.179 nan 8.280 nan 0.000 0.566 216 N N 2.536 120.910 118.700 -0.544 0.000 2.051 216 N HA -0.220 4.519 4.740 -0.000 0.000 0.199 216 N C 1.525 176.933 175.510 -0.170 0.000 1.045 216 N CA 2.615 55.514 53.050 -0.253 0.000 0.884 216 N CB -0.545 37.926 38.487 -0.026 0.000 1.082 216 N HN 0.636 nan 8.380 nan 0.000 0.495 217 T N 0.890 115.468 114.554 0.040 0.000 2.737 217 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 217 T C 1.787 176.500 174.700 0.022 0.000 1.040 217 T CA 1.971 64.196 62.100 0.208 0.000 1.142 217 T CB -0.433 68.813 68.868 0.631 0.000 0.861 217 T HN 0.676 nan 8.240 nan 0.000 0.456 218 Q N 0.442 120.144 119.800 -0.163 0.000 2.297 218 Q HA 0.092 4.432 4.340 -0.000 0.000 0.204 218 Q C 2.184 177.927 176.000 -0.429 0.000 0.962 218 Q CA 0.561 56.174 55.803 -0.317 0.000 0.879 218 Q CB -0.407 28.199 28.738 -0.220 0.000 0.947 218 Q HN 0.338 nan 8.270 nan 0.000 0.462 219 L N 0.963 122.005 121.223 -0.302 0.000 2.023 219 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 219 L C 2.258 179.040 176.870 -0.147 0.000 1.073 219 L CA 1.890 56.601 54.840 -0.215 0.000 0.745 219 L CB -0.740 41.207 42.059 -0.186 0.000 0.900 219 L HN 0.259 nan 8.230 nan 0.000 0.435 220 Q N -0.442 119.285 119.800 -0.123 0.000 2.045 220 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 220 Q C 1.862 177.797 176.000 -0.108 0.000 0.991 220 Q CA 2.086 57.843 55.803 -0.077 0.000 0.851 220 Q CB -0.339 28.387 28.738 -0.020 0.000 0.911 220 Q HN 0.541 nan 8.270 nan 0.000 0.418 221 D N 0.039 120.335 120.400 -0.173 0.000 2.104 221 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 221 D C 1.585 177.700 176.300 -0.308 0.000 0.994 221 D CA 0.856 54.721 54.000 -0.225 0.000 0.830 221 D CB -0.385 40.181 40.800 -0.390 0.000 0.959 221 D HN 0.137 nan 8.370 nan 0.000 0.452 222 F N 1.777 121.284 119.950 -0.740 0.000 2.095 222 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 222 F C 2.212 177.855 175.800 -0.261 0.000 1.104 222 F CA 1.512 59.145 58.000 -0.612 0.000 1.232 222 F CB -0.433 38.159 39.000 -0.680 0.000 0.987 222 F HN -0.057 nan 8.300 nan 0.000 0.475 223 A N 0.425 123.105 122.820 -0.233 0.000 1.933 223 A HA -0.119 4.200 4.320 -0.000 0.000 0.218 223 A C 2.328 179.795 177.584 -0.195 0.000 1.175 223 A CA 1.731 53.621 52.037 -0.245 0.000 0.628 223 A CB -1.134 17.794 19.000 -0.120 0.000 0.814 223 A HN 0.503 nan 8.150 nan 0.000 0.444 224 L N -1.019 120.128 121.223 -0.127 0.000 2.109 224 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 224 L C 3.085 179.921 176.870 -0.057 0.000 1.086 224 L CA 0.845 55.647 54.840 -0.062 0.000 0.760 224 L CB -0.501 41.554 42.059 -0.008 0.000 0.910 224 L HN 0.441 nan 8.230 nan 0.000 0.437 225 A N 0.318 123.099 122.820 -0.066 0.000 1.858 225 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 225 A C 2.245 179.762 177.584 -0.111 0.000 1.190 225 A CA 1.390 53.413 52.037 -0.024 0.000 0.617 225 A CB -0.772 18.274 19.000 0.077 0.000 0.827 225 A HN 0.317 nan 8.150 nan 0.000 0.443 226 L N -0.833 120.234 121.223 -0.260 0.000 2.013 226 L HA -0.274 4.065 4.340 -0.000 0.000 0.212 226 L C 2.666 179.469 176.870 -0.111 0.000 1.073 226 L CA 2.115 56.818 54.840 -0.228 0.000 0.753 226 L CB -0.434 41.406 42.059 -0.366 0.000 0.890 226 L HN 0.433 nan 8.230 nan 0.000 0.432 227 K N 0.502 120.836 120.400 -0.109 0.000 2.074 227 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 227 K C 1.426 178.007 176.600 -0.032 0.000 1.048 227 K CA 1.568 57.818 56.287 -0.061 0.000 0.926 227 K CB -0.040 32.426 32.500 -0.056 0.000 0.713 227 K HN 0.264 nan 8.250 nan 0.000 0.444 228 N N -0.295 118.390 118.700 -0.026 0.000 2.370 228 N HA 0.101 4.841 4.740 -0.000 0.000 0.198 228 N C 0.036 175.541 175.510 -0.008 0.000 1.156 228 N CA 0.959 54.005 53.050 -0.007 0.000 0.839 228 N CB 0.844 39.336 38.487 0.008 0.000 0.989 228 N HN 0.402 nan 8.380 nan 0.000 0.468 229 G N -0.097 108.691 108.800 -0.019 0.000 2.203 229 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.231 229 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.231 229 G C -0.105 174.758 174.900 -0.061 0.000 1.058 229 G CA -0.039 45.045 45.100 -0.025 0.000 0.781 229 G HN 0.550 nan 8.290 nan 0.000 0.496 230 A N 0.538 123.319 122.820 -0.065 0.000 2.260 230 A HA 0.693 5.013 4.320 -0.000 0.000 0.312 230 A C 0.541 178.044 177.584 -0.136 0.000 1.321 230 A CA 0.187 52.172 52.037 -0.088 0.000 0.928 230 A CB 0.406 19.383 19.000 -0.038 0.000 1.158 230 A HN 1.097 nan 8.150 nan 0.000 0.542 231 K N 2.446 122.653 120.400 -0.321 0.000 2.227 231 K HA 0.557 4.877 4.320 -0.000 0.000 0.280 231 K C -1.304 175.128 176.600 -0.280 0.000 1.041 231 K CA -0.422 55.473 56.287 -0.652 0.000 0.905 231 K CB 1.292 33.112 32.500 -1.133 0.000 1.068 231 K HN 0.248 nan 8.250 nan 0.000 0.470 232 V N 4.251 124.274 119.914 0.182 0.000 2.398 232 V HA 0.255 4.375 4.120 -0.000 0.000 0.286 232 V C -0.384 175.748 176.094 0.063 0.000 1.026 232 V CA -0.985 61.363 62.300 0.079 0.000 0.868 232 V CB 1.428 33.376 31.823 0.208 0.000 0.982 232 V HN 0.619 nan 8.190 nan 0.000 0.443 233 V N 5.725 125.603 119.914 -0.060 0.000 2.398 233 V HA 0.463 4.583 4.120 -0.000 0.000 0.286 233 V C -0.076 176.112 176.094 0.156 0.000 1.026 233 V CA -0.492 61.842 62.300 0.058 0.000 0.868 233 V CB 1.851 33.688 31.823 0.023 0.000 0.982 233 V HN 0.623 nan 8.190 nan 0.000 0.443 234 V N 5.731 125.777 119.914 0.220 0.000 2.459 234 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 234 V C -0.259 176.050 176.094 0.358 0.000 1.029 234 V CA -0.548 61.899 62.300 0.245 0.000 0.874 234 V CB 2.119 34.029 31.823 0.146 0.000 0.985 234 V HN 0.611 nan 8.190 nan 0.000 0.438 235 V N 4.416 124.514 119.914 0.307 0.000 2.357 235 V HA 0.674 4.794 4.120 -0.000 0.000 0.284 235 V C -0.591 175.654 176.094 0.252 0.000 1.018 235 V CA -0.218 62.242 62.300 0.267 0.000 0.841 235 V CB 1.474 33.443 31.823 0.244 0.000 0.991 235 V HN 0.963 nan 8.190 nan 0.000 0.437 236 D N 5.728 126.297 120.400 0.282 0.000 2.734 236 D HA 0.224 4.864 4.640 -0.000 0.000 0.224 236 D C -2.566 173.929 176.300 0.326 0.000 1.222 236 D CA -0.784 53.357 54.000 0.234 0.000 0.761 236 D CB 3.362 44.288 40.800 0.209 0.000 1.569 236 D HN 0.218 nan 8.370 nan 0.000 0.477 237 P HA 0.043 nan 4.420 nan 0.000 0.242 237 P C 0.232 177.758 177.300 0.377 0.000 1.197 237 P CA 0.269 63.492 63.100 0.206 0.000 0.765 237 P CB 0.594 32.361 31.700 0.112 0.000 0.936 238 R N -0.058 120.636 120.500 0.323 0.000 2.599 238 R HA 0.340 4.680 4.340 -0.000 0.000 0.295 238 R C -1.087 175.241 176.300 0.046 0.000 0.963 238 R CA -1.048 55.169 56.100 0.195 0.000 0.883 238 R CB 0.891 31.063 30.300 -0.213 0.000 1.171 238 R HN -0.174 nan 8.270 nan 0.000 0.450 239 F N 4.912 124.630 119.950 -0.386 0.000 2.619 239 F HA 0.101 4.628 4.527 -0.000 0.000 0.350 239 F C 0.547 176.082 175.800 -0.441 0.000 1.259 239 F CA -0.011 57.369 58.000 -1.032 0.000 1.204 239 F CB -0.041 38.232 39.000 -1.211 0.000 1.556 239 F HN 0.512 nan 8.300 nan 0.000 0.650 240 S N 1.912 117.274 115.700 -0.563 0.000 2.625 240 S HA 0.112 4.582 4.470 -0.000 0.000 0.258 240 S C 1.422 175.773 174.600 -0.415 0.000 1.256 240 S CA 0.067 58.038 58.200 -0.380 0.000 0.983 240 S CB 0.736 63.753 63.200 -0.305 0.000 1.032 240 S HN 0.485 nan 8.310 nan 0.000 0.572 241 T N 1.266 115.678 114.554 -0.236 0.000 2.737 241 T HA 0.018 4.368 4.350 -0.000 0.000 0.265 241 T C 2.169 176.736 174.700 -0.221 0.000 1.038 241 T CA 1.494 63.481 62.100 -0.188 0.000 1.144 241 T CB -1.049 67.746 68.868 -0.122 0.000 0.866 241 T HN 0.772 nan 8.240 nan 0.000 0.434 242 A N 1.333 124.022 122.820 -0.219 0.000 1.972 242 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 242 A C 2.573 180.038 177.584 -0.199 0.000 1.169 242 A CA 1.724 53.672 52.037 -0.147 0.000 0.635 242 A CB -0.928 17.918 19.000 -0.257 0.000 0.810 242 A HN 0.501 nan 8.150 nan 0.000 0.446 243 A N -0.264 122.278 122.820 -0.463 0.000 2.015 243 A HA 0.253 4.573 4.320 -0.000 0.000 0.219 243 A C 2.313 179.372 177.584 -0.874 0.000 1.163 243 A CA 1.575 53.175 52.037 -0.729 0.000 0.646 243 A CB -0.750 17.440 19.000 -1.351 0.000 0.806 243 A HN 1.046 nan 8.150 nan 0.000 0.448 244 A N -0.960 121.381 122.820 -0.798 0.000 2.172 244 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 244 A C 1.561 179.054 177.584 -0.152 0.000 1.154 244 A CA 1.294 53.100 52.037 -0.384 0.000 0.701 244 A CB -0.074 18.817 19.000 -0.183 0.000 0.789 244 A HN 0.257 nan 8.150 nan 0.000 0.465 245 K N -0.583 119.721 120.400 -0.161 0.000 2.413 245 K HA 0.424 4.744 4.320 -0.000 0.000 0.204 245 K C 0.283 176.763 176.600 -0.200 0.000 1.041 245 K CA 0.532 56.742 56.287 -0.129 0.000 1.082 245 K CB -0.014 32.456 32.500 -0.051 0.000 0.871 245 K HN 0.343 nan 8.250 nan 0.000 0.535 246 A N 0.808 123.525 122.820 -0.172 0.000 2.293 246 A HA 0.383 4.703 4.320 -0.000 0.000 0.302 246 A C 0.607 178.041 177.584 -0.251 0.000 1.119 246 A CA -0.419 51.531 52.037 -0.146 0.000 0.823 246 A CB 0.372 19.381 19.000 0.014 0.000 1.097 246 A HN 0.228 nan 8.150 nan 0.000 0.491 247 H N 1.049 120.152 119.070 0.054 0.000 2.448 247 H HA 0.056 4.612 4.556 -0.000 0.000 0.292 247 H C 0.002 175.409 175.328 0.131 0.000 1.035 247 H CA 0.999 57.093 56.048 0.077 0.000 1.349 247 H CB 0.312 30.099 29.762 0.041 0.000 1.425 247 H HN 0.560 nan 8.280 nan 0.000 0.539 248 R N -0.132 120.509 120.500 0.234 0.000 2.628 248 R HA 0.164 4.504 4.340 -0.000 0.000 0.288 248 R C -1.632 174.871 176.300 0.339 0.000 0.980 248 R CA -0.740 55.517 56.100 0.260 0.000 0.891 248 R CB 2.081 32.524 30.300 0.238 0.000 1.188 248 R HN 0.025 nan 8.270 nan 0.000 0.450 249 W N 5.892 127.293 121.300 0.168 0.000 2.361 249 W HA 0.398 5.058 4.660 -0.000 0.000 0.314 249 W C -1.507 175.113 176.519 0.168 0.000 1.041 249 W CA -1.186 56.267 57.345 0.179 0.000 1.241 249 W CB 0.860 30.504 29.460 0.307 0.000 1.279 249 W HN 0.450 nan 8.180 nan 0.000 0.436 250 L N 9.469 130.705 121.223 0.021 0.000 2.272 250 L HA 0.319 4.659 4.340 -0.000 0.000 0.284 250 L C -1.791 174.769 176.870 -0.516 0.000 1.045 250 L CA -1.895 52.827 54.840 -0.197 0.000 0.842 250 L CB 0.897 42.973 42.059 0.029 0.000 1.224 250 L HN 0.252 nan 8.230 nan 0.000 0.430 251 P HA 0.100 nan 4.420 nan 0.000 0.241 251 P C 0.355 177.465 177.300 -0.318 0.000 1.760 251 P CA 0.028 62.625 63.100 -0.838 0.000 1.081 251 P CB 0.026 30.998 31.700 -1.213 0.000 1.975 252 I N 1.573 122.042 120.570 -0.169 0.000 2.815 252 I HA -0.052 4.118 4.170 -0.000 0.000 0.291 252 I C 1.040 177.123 176.117 -0.057 0.000 1.209 252 I CA -0.170 61.068 61.300 -0.102 0.000 1.431 252 I CB 0.629 38.595 38.000 -0.057 0.000 1.351 252 I HN 0.151 nan 8.210 nan 0.000 0.585 253 K N 8.884 129.242 120.400 -0.070 0.000 2.412 253 K HA 0.256 4.576 4.320 -0.000 0.000 0.281 253 K C -2.432 174.161 176.600 -0.010 0.000 1.027 253 K CA -1.043 55.225 56.287 -0.031 0.000 0.989 253 K CB 0.631 33.104 32.500 -0.045 0.000 0.935 253 K HN 0.229 nan 8.250 nan 0.000 0.475 254 P HA 0.001 nan 4.420 nan 0.000 0.266 254 P C 0.060 177.274 177.300 -0.142 0.000 1.195 254 P CA 0.824 63.951 63.100 0.046 0.000 0.768 254 P CB 0.659 32.458 31.700 0.166 0.000 0.838 255 G N 1.732 110.302 108.800 -0.382 0.000 2.176 255 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 255 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 255 G C 0.657 175.413 174.900 -0.241 0.000 1.024 255 G CA 0.462 44.940 45.100 -1.037 0.000 0.755 255 G HN 0.576 nan 8.290 nan 0.000 0.507 256 T N -0.899 113.633 114.554 -0.038 0.000 3.145 256 T HA 0.249 4.599 4.350 -0.000 0.000 0.281 256 T C 1.603 176.241 174.700 -0.104 0.000 1.003 256 T CA 0.733 62.848 62.100 0.025 0.000 0.901 256 T CB 0.024 68.849 68.868 -0.071 0.000 1.112 256 T HN 0.303 nan 8.240 nan 0.000 0.535 257 D N 0.590 121.005 120.400 0.026 0.000 2.219 257 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 257 D C 1.952 178.218 176.300 -0.057 0.000 0.970 257 D CA 1.140 55.141 54.000 0.002 0.000 0.851 257 D CB 0.058 40.966 40.800 0.180 0.000 0.943 257 D HN 0.296 nan 8.370 nan 0.000 0.488 258 T N -0.164 114.400 114.554 0.018 0.000 2.915 258 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 258 T C 2.038 176.687 174.700 -0.085 0.000 1.071 258 T CA 0.983 63.089 62.100 0.011 0.000 1.132 258 T CB -0.169 68.763 68.868 0.108 0.000 0.878 258 T HN 0.205 nan 8.240 nan 0.000 0.479 259 A N 1.372 124.011 122.820 -0.302 0.000 1.968 259 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 259 A C 2.220 179.626 177.584 -0.296 0.000 1.169 259 A CA 0.667 52.422 52.037 -0.469 0.000 0.638 259 A CB -0.580 17.538 19.000 -1.469 0.000 0.812 259 A HN 0.439 nan 8.150 nan 0.000 0.446 260 L N -0.605 120.372 121.223 -0.411 0.000 2.131 260 L HA -0.011 4.329 4.340 -0.000 0.000 0.206 260 L C 2.229 178.720 176.870 -0.632 0.000 1.087 260 L CA 1.371 55.855 54.840 -0.593 0.000 0.767 260 L CB -0.497 41.170 42.059 -0.653 0.000 0.917 260 L HN 0.410 nan 8.230 nan 0.000 0.441 261 L N -0.378 120.656 121.223 -0.315 0.000 2.056 261 L HA -0.236 4.104 4.340 -0.000 0.000 0.207 261 L C 2.631 179.557 176.870 0.094 0.000 1.078 261 L CA 0.996 55.809 54.840 -0.045 0.000 0.749 261 L CB -0.410 41.672 42.059 0.037 0.000 0.901 261 L HN 0.243 nan 8.230 nan 0.000 0.433 262 L N -0.420 120.832 121.223 0.050 0.000 2.083 262 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 262 L C 2.756 179.775 176.870 0.249 0.000 1.083 262 L CA 1.200 56.116 54.840 0.126 0.000 0.752 262 L CB -0.725 41.265 42.059 -0.115 0.000 0.899 262 L HN 0.257 nan 8.230 nan 0.000 0.433 263 A N -1.294 121.647 122.820 0.202 0.000 2.066 263 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 263 A C 1.902 179.693 177.584 0.345 0.000 1.157 263 A CA 0.789 52.964 52.037 0.229 0.000 0.670 263 A CB -0.529 18.548 19.000 0.128 0.000 0.804 263 A HN 0.491 nan 8.150 nan 0.000 0.453 264 W N -0.407 121.012 121.300 0.199 0.000 2.494 264 W HA 0.139 4.799 4.660 -0.000 0.000 0.286 264 W C 1.944 178.599 176.519 0.225 0.000 1.218 264 W CA -0.098 57.364 57.345 0.195 0.000 1.313 264 W CB -0.806 28.757 29.460 0.172 0.000 1.105 264 W HN 0.262 nan 8.180 nan 0.000 0.561 265 I N -0.439 120.415 120.570 0.473 0.000 2.163 265 I HA -0.376 3.794 4.170 -0.000 0.000 0.243 265 I C 2.505 178.838 176.117 0.359 0.000 1.085 265 I CA 2.076 63.599 61.300 0.371 0.000 1.347 265 I CB -0.635 37.570 38.000 0.343 0.000 1.044 265 I HN -0.001 nan 8.210 nan 0.000 0.408 266 H N 0.116 119.345 119.070 0.265 0.000 2.319 266 H HA -0.164 4.392 4.556 -0.000 0.000 0.299 266 H C 2.181 177.668 175.328 0.266 0.000 1.092 266 H CA 2.084 58.257 56.048 0.209 0.000 1.302 266 H CB 0.085 29.889 29.762 0.070 0.000 1.373 266 H HN 0.073 nan 8.280 nan 0.000 0.497 267 V N 0.759 120.992 119.914 0.531 0.000 2.427 267 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 267 V C 2.497 178.782 176.094 0.318 0.000 1.051 267 V CA 1.708 64.270 62.300 0.436 0.000 1.048 267 V CB -0.444 31.600 31.823 0.369 0.000 0.666 267 V HN 0.433 nan 8.190 nan 0.000 0.456 268 L N -1.045 120.352 121.223 0.291 0.000 2.217 268 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 268 L C 2.229 179.259 176.870 0.267 0.000 1.107 268 L CA 1.292 56.286 54.840 0.257 0.000 0.783 268 L CB -0.389 41.813 42.059 0.239 0.000 0.919 268 L HN 0.254 nan 8.230 nan 0.000 0.442 269 I N -1.640 119.042 120.570 0.185 0.000 2.296 269 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 269 I C 2.161 178.335 176.117 0.096 0.000 1.087 269 I CA 1.138 62.456 61.300 0.031 0.000 1.393 269 I CB -0.086 37.926 38.000 0.021 0.000 1.093 269 I HN 0.082 nan 8.210 nan 0.000 0.421 270 Y N 0.686 120.956 120.300 -0.050 0.000 2.457 270 Y HA -0.068 4.482 4.550 -0.000 0.000 0.292 270 Y C 2.086 178.024 175.900 0.063 0.000 1.125 270 Y CA 0.821 58.886 58.100 -0.059 0.000 1.254 270 Y CB -0.141 38.143 38.460 -0.293 0.000 1.012 270 Y HN 0.181 nan 8.280 nan 0.000 0.555 271 E N -0.493 119.858 120.200 0.252 0.000 2.474 271 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 271 E C -0.298 176.398 176.600 0.160 0.000 1.039 271 E CA 0.269 56.785 56.400 0.193 0.000 0.881 271 E CB 0.141 29.953 29.700 0.186 0.000 0.970 271 E HN 0.218 nan 8.360 nan 0.000 0.486 272 D N 0.048 120.570 120.400 0.204 0.000 2.716 272 D HA -0.188 4.452 4.640 -0.000 0.000 0.239 272 D C 0.065 176.456 176.300 0.153 0.000 1.125 272 D CA 0.370 54.499 54.000 0.215 0.000 0.681 272 D CB -1.114 39.749 40.800 0.105 0.000 1.070 272 D HN 0.253 nan 8.370 nan 0.000 0.432 273 L N -0.117 121.241 121.223 0.226 0.000 2.664 273 L HA 0.171 4.511 4.340 -0.000 0.000 0.233 273 L C 1.307 178.261 176.870 0.139 0.000 1.113 273 L CA -0.554 54.362 54.840 0.128 0.000 0.896 273 L CB -0.224 41.904 42.059 0.115 0.000 1.163 273 L HN 0.329 nan 8.230 nan 0.000 0.497 274 Y N -1.416 118.906 120.300 0.036 0.000 2.296 274 Y HA 0.200 4.749 4.550 -0.000 0.000 0.343 274 Y C 0.424 176.328 175.900 0.006 0.000 1.292 274 Y CA -1.017 57.102 58.100 0.032 0.000 1.490 274 Y CB 0.201 38.694 38.460 0.054 0.000 1.359 274 Y HN -0.129 nan 8.280 nan 0.000 0.599 275 D N 2.088 122.513 120.400 0.042 0.000 2.383 275 D HA 0.039 4.679 4.640 -0.000 0.000 0.245 275 D C 0.258 176.489 176.300 -0.117 0.000 1.263 275 D CA -0.012 53.967 54.000 -0.035 0.000 0.936 275 D CB 0.725 41.577 40.800 0.085 0.000 1.053 275 D HN 0.723 nan 8.370 nan 0.000 0.507 276 K N 2.845 123.021 120.400 -0.373 0.000 2.009 276 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 276 K C 1.616 178.128 176.600 -0.147 0.000 1.049 276 K CA 1.082 57.122 56.287 -0.411 0.000 0.929 276 K CB 0.205 32.452 32.500 -0.423 0.000 0.714 276 K HN 0.512 nan 8.250 nan 0.000 0.440 277 E N 0.318 120.478 120.200 -0.066 0.000 2.038 277 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 277 E C 2.050 178.664 176.600 0.023 0.000 1.000 277 E CA 1.353 57.736 56.400 -0.028 0.000 0.803 277 E CB -0.338 29.371 29.700 0.016 0.000 0.750 277 E HN 0.310 nan 8.360 nan 0.000 0.448 278 Y N 1.469 121.804 120.300 0.059 0.000 2.114 278 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 278 Y C 2.310 178.322 175.900 0.186 0.000 1.165 278 Y CA 1.474 59.717 58.100 0.239 0.000 1.148 278 Y CB -0.189 38.439 38.460 0.280 0.000 0.972 278 Y HN -0.166 nan 8.280 nan 0.000 0.504 279 V N -0.039 120.052 119.914 0.295 0.000 2.343 279 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 279 V C 2.594 178.689 176.094 0.003 0.000 1.051 279 V CA 1.668 64.070 62.300 0.170 0.000 1.036 279 V CB -1.446 30.412 31.823 0.060 0.000 0.654 279 V HN 0.584 nan 8.190 nan 0.000 0.451 280 A N 1.103 123.880 122.820 -0.071 0.000 1.883 280 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 280 A C 2.181 179.649 177.584 -0.194 0.000 1.186 280 A CA 2.266 54.234 52.037 -0.115 0.000 0.624 280 A CB -0.397 18.532 19.000 -0.119 0.000 0.822 280 A HN 0.700 nan 8.150 nan 0.000 0.444 281 K N -2.236 117.934 120.400 -0.384 0.000 2.400 281 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 281 K C 0.048 176.218 176.600 -0.716 0.000 1.033 281 K CA 0.815 56.721 56.287 -0.634 0.000 1.021 281 K CB -0.039 31.924 32.500 -0.894 0.000 0.808 281 K HN 0.650 nan 8.250 nan 0.000 0.505 282 Y N 0.497 120.732 120.300 -0.109 0.000 2.738 282 Y HA 0.270 4.820 4.550 -0.000 0.000 0.249 282 Y C -0.037 175.922 175.900 0.098 0.000 1.157 282 Y CA -0.754 57.335 58.100 -0.017 0.000 1.189 282 Y CB 1.594 39.880 38.460 -0.290 0.000 1.262 282 Y HN -0.187 nan 8.280 nan 0.000 0.554 283 T N 1.435 116.080 114.554 0.152 0.000 2.879 283 T HA 0.583 4.933 4.350 -0.000 0.000 0.290 283 T C -0.621 174.119 174.700 0.066 0.000 0.993 283 T CA -0.444 61.745 62.100 0.148 0.000 0.975 283 T CB 1.625 70.604 68.868 0.186 0.000 0.981 283 T HN -0.157 nan 8.240 nan 0.000 0.439 284 V N 2.336 122.267 119.914 0.028 0.000 2.713 284 V HA 0.694 4.814 4.120 -0.000 0.000 0.307 284 V C 1.160 177.250 176.094 -0.006 0.000 1.052 284 V CA -0.195 62.100 62.300 -0.009 0.000 0.967 284 V CB 1.492 33.280 31.823 -0.058 0.000 1.019 284 V HN 1.189 nan 8.190 nan 0.000 0.459 285 G N 2.860 111.656 108.800 -0.006 0.000 2.393 285 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.299 285 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.299 285 G C 0.309 175.177 174.900 -0.053 0.000 0.990 285 G CA 0.956 46.032 45.100 -0.039 0.000 1.118 285 G HN 1.160 nan 8.290 nan 0.000 0.513 286 F N -0.314 119.576 119.950 -0.100 0.000 2.512 286 F HA 0.259 4.786 4.527 -0.000 0.000 0.296 286 F C 1.928 177.656 175.800 -0.120 0.000 1.110 286 F CA 1.331 59.259 58.000 -0.120 0.000 1.446 286 F CB 0.199 39.166 39.000 -0.055 0.000 1.092 286 F HN 0.264 nan 8.300 nan 0.000 0.554 287 E N 0.855 120.800 120.200 -0.426 0.000 2.106 287 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 287 E C 2.115 178.466 176.600 -0.414 0.000 0.984 287 E CA 1.363 57.453 56.400 -0.517 0.000 0.806 287 E CB -0.302 29.303 29.700 -0.159 0.000 0.750 287 E HN 0.581 nan 8.360 nan 0.000 0.458 288 E N 0.031 120.061 120.200 -0.282 0.000 2.118 288 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 288 E C 1.929 178.395 176.600 -0.224 0.000 0.992 288 E CA 0.621 56.897 56.400 -0.207 0.000 0.804 288 E CB -0.037 29.544 29.700 -0.198 0.000 0.741 288 E HN 0.234 nan 8.360 nan 0.000 0.458 289 L N 0.812 121.830 121.223 -0.341 0.000 2.056 289 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 289 L C 2.585 179.333 176.870 -0.202 0.000 1.078 289 L CA 1.385 56.059 54.840 -0.278 0.000 0.749 289 L CB -0.304 41.533 42.059 -0.370 0.000 0.901 289 L HN 0.108 nan 8.230 nan 0.000 0.433 290 K N -0.059 120.069 120.400 -0.453 0.000 2.057 290 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 290 K C 1.948 178.510 176.600 -0.064 0.000 1.049 290 K CA 1.427 57.529 56.287 -0.308 0.000 0.931 290 K CB -0.044 32.098 32.500 -0.597 0.000 0.714 290 K HN 0.320 nan 8.250 nan 0.000 0.440 291 A N 0.987 123.736 122.820 -0.118 0.000 1.930 291 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 291 A C 2.144 179.705 177.584 -0.037 0.000 1.175 291 A CA 1.416 53.423 52.037 -0.051 0.000 0.627 291 A CB -0.929 18.030 19.000 -0.068 0.000 0.815 291 A HN 0.567 nan 8.150 nan 0.000 0.443 292 H N -0.574 118.435 119.070 -0.102 0.000 2.319 292 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 292 H C 1.336 176.586 175.328 -0.130 0.000 1.092 292 H CA 2.021 58.031 56.048 -0.064 0.000 1.302 292 H CB 0.049 29.810 29.762 -0.002 0.000 1.373 292 H HN 0.218 nan 8.280 nan 0.000 0.497 293 V N 2.197 122.124 119.914 0.022 0.000 3.620 293 V HA -0.056 4.064 4.120 -0.000 0.000 0.286 293 V C 2.283 178.232 176.094 -0.241 0.000 1.288 293 V CA 0.513 62.827 62.300 0.023 0.000 1.178 293 V CB -0.450 31.534 31.823 0.268 0.000 0.986 293 V HN 0.342 nan 8.190 nan 0.000 0.431 294 K N 0.589 120.778 120.400 -0.352 0.000 2.044 294 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 294 K C 1.355 177.700 176.600 -0.424 0.000 1.049 294 K CA 2.067 58.129 56.287 -0.376 0.000 0.927 294 K CB -0.004 32.376 32.500 -0.200 0.000 0.713 294 K HN 0.457 nan 8.250 nan 0.000 0.443 295 D N -0.453 119.562 120.400 -0.642 0.000 2.350 295 D HA -0.003 4.637 4.640 -0.000 0.000 0.213 295 D C -0.115 175.778 176.300 -0.678 0.000 1.031 295 D CA 0.234 53.877 54.000 -0.595 0.000 0.861 295 D CB 0.102 40.535 40.800 -0.611 0.000 0.926 295 D HN 0.171 nan 8.370 nan 0.000 0.520 296 F N 1.943 121.558 119.950 -0.559 0.000 2.619 296 F HA 0.086 4.612 4.527 -0.000 0.000 0.350 296 F C 1.340 176.904 175.800 -0.394 0.000 1.259 296 F CA -0.344 57.206 58.000 -0.751 0.000 1.204 296 F CB 0.261 38.822 39.000 -0.732 0.000 1.556 296 F HN -0.305 nan 8.300 nan 0.000 0.650 297 T N 1.518 115.970 114.554 -0.170 0.000 2.927 297 T HA 0.281 4.631 4.350 -0.000 0.000 0.281 297 T C -1.648 173.042 174.700 -0.017 0.000 0.998 297 T CA -2.374 59.483 62.100 -0.405 0.000 1.019 297 T CB 1.732 70.405 68.868 -0.324 0.000 1.061 297 T HN 0.062 nan 8.240 nan 0.000 0.518 298 P HA -0.075 nan 4.420 nan 0.000 0.220 298 P C 1.129 178.436 177.300 0.011 0.000 1.144 298 P CA 0.939 64.052 63.100 0.022 0.000 0.800 298 P CB 0.166 31.897 31.700 0.051 0.000 0.772 299 E N -1.938 118.272 120.200 0.018 0.000 2.170 299 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 299 E C 1.970 178.584 176.600 0.024 0.000 0.981 299 E CA 0.697 57.100 56.400 0.006 0.000 0.830 299 E CB -1.110 28.596 29.700 0.010 0.000 0.775 299 E HN 0.425 nan 8.360 nan 0.000 0.470 300 W N 2.621 123.865 121.300 -0.094 0.000 2.381 300 W HA -0.029 4.631 4.660 -0.000 0.000 0.301 300 W C 2.349 178.824 176.519 -0.074 0.000 1.205 300 W CA 2.150 59.461 57.345 -0.056 0.000 1.285 300 W CB -0.186 29.294 29.460 0.033 0.000 1.133 300 W HN 0.055 nan 8.180 nan 0.000 0.521 301 A N 0.776 123.520 122.820 -0.127 0.000 1.873 301 A HA -0.267 4.053 4.320 -0.000 0.000 0.215 301 A C 1.971 179.291 177.584 -0.439 0.000 1.186 301 A CA 1.967 53.728 52.037 -0.461 0.000 0.616 301 A CB -1.372 17.522 19.000 -0.177 0.000 0.823 301 A HN 0.579 nan 8.150 nan 0.000 0.442 302 E N 0.013 120.054 120.200 -0.266 0.000 2.267 302 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 302 E C 1.911 178.345 176.600 -0.277 0.000 0.998 302 E CA 1.612 57.877 56.400 -0.224 0.000 0.830 302 E CB -0.164 29.455 29.700 -0.135 0.000 0.751 302 E HN 0.643 nan 8.360 nan 0.000 0.491 303 K N -0.616 119.548 120.400 -0.393 0.000 2.116 303 K HA -0.128 4.192 4.320 -0.000 0.000 0.203 303 K C 1.760 178.039 176.600 -0.535 0.000 1.052 303 K CA 1.271 57.279 56.287 -0.465 0.000 0.952 303 K CB 0.055 32.208 32.500 -0.578 0.000 0.729 303 K HN 0.364 nan 8.250 nan 0.000 0.446 304 H N -1.350 117.446 119.070 -0.455 0.000 2.476 304 H HA 0.053 4.609 4.556 -0.000 0.000 0.292 304 H C 1.853 176.959 175.328 -0.369 0.000 1.019 304 H CA 0.898 56.699 56.048 -0.412 0.000 1.330 304 H CB 0.241 29.566 29.762 -0.729 0.000 1.451 304 H HN 0.111 nan 8.280 nan 0.000 0.535 305 T N 0.028 114.386 114.554 -0.326 0.000 2.896 305 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 305 T C 0.715 175.295 174.700 -0.200 0.000 1.050 305 T CA 1.014 62.940 62.100 -0.290 0.000 1.140 305 T CB 0.150 68.799 68.868 -0.365 0.000 0.877 305 T HN 0.454 nan 8.240 nan 0.000 0.457 306 E N -0.733 119.349 120.200 -0.197 0.000 4.047 306 E HA -0.139 4.211 4.350 -0.000 0.000 0.340 306 E C -0.552 175.963 176.600 -0.142 0.000 0.720 306 E CA 0.105 56.413 56.400 -0.154 0.000 1.320 306 E CB -1.403 28.222 29.700 -0.126 0.000 1.685 306 E HN 0.484 nan 8.360 nan 0.000 0.416 307 I N 1.633 122.114 120.570 -0.149 0.000 2.353 307 I HA 0.238 4.408 4.170 -0.000 0.000 0.293 307 I C -2.136 173.930 176.117 -0.084 0.000 0.992 307 I CA -2.167 59.065 61.300 -0.114 0.000 1.268 307 I CB 0.893 38.828 38.000 -0.109 0.000 1.387 307 I HN -0.217 nan 8.210 nan 0.000 0.478 308 P HA -0.045 nan 4.420 nan 0.000 0.266 308 P C 0.234 177.532 177.300 -0.004 0.000 1.193 308 P CA 0.040 63.122 63.100 -0.030 0.000 0.770 308 P CB 0.714 32.408 31.700 -0.009 0.000 0.836 309 A N 2.327 125.144 122.820 -0.005 0.000 1.972 309 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 309 A C 2.174 179.796 177.584 0.063 0.000 1.169 309 A CA 1.818 53.867 52.037 0.020 0.000 0.635 309 A CB -1.113 17.892 19.000 0.009 0.000 0.810 309 A HN 0.556 nan 8.150 nan 0.000 0.446 310 Q N 0.017 119.852 119.800 0.058 0.000 2.046 310 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 310 Q C 1.855 177.919 176.000 0.108 0.000 0.975 310 Q CA 2.228 58.076 55.803 0.076 0.000 0.836 310 Q CB -0.641 28.132 28.738 0.058 0.000 0.896 310 Q HN 0.318 nan 8.270 nan 0.000 0.428 311 V N 0.713 120.690 119.914 0.106 0.000 2.287 311 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 311 V C 2.303 178.540 176.094 0.237 0.000 1.053 311 V CA 1.998 64.387 62.300 0.148 0.000 1.027 311 V CB -0.634 31.259 31.823 0.116 0.000 0.646 311 V HN 0.423 nan 8.190 nan 0.000 0.447 312 I N -0.757 119.953 120.570 0.234 0.000 2.208 312 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 312 I C 2.795 179.210 176.117 0.496 0.000 1.097 312 I CA 1.669 63.216 61.300 0.412 0.000 1.363 312 I CB -0.477 37.632 38.000 0.182 0.000 1.051 312 I HN 0.234 nan 8.210 nan 0.000 0.413 313 R N 0.646 121.314 120.500 0.279 0.000 2.062 313 R HA -0.163 4.177 4.340 -0.000 0.000 0.231 313 R C 2.277 178.670 176.300 0.155 0.000 1.136 313 R CA 1.550 57.780 56.100 0.216 0.000 0.948 313 R CB -0.225 30.166 30.300 0.150 0.000 0.845 313 R HN 0.368 nan 8.270 nan 0.000 0.430 314 E N -0.178 120.106 120.200 0.139 0.000 2.070 314 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 314 E C 1.968 178.611 176.600 0.071 0.000 1.004 314 E CA 1.604 58.064 56.400 0.099 0.000 0.805 314 E CB 0.021 29.790 29.700 0.114 0.000 0.744 314 E HN 0.096 nan 8.360 nan 0.000 0.451 315 V N 0.960 120.945 119.914 0.119 0.000 2.343 315 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 315 V C 2.241 178.156 176.094 -0.298 0.000 1.051 315 V CA 1.857 64.164 62.300 0.013 0.000 1.036 315 V CB -0.656 31.243 31.823 0.126 0.000 0.654 315 V HN 0.353 nan 8.190 nan 0.000 0.451 316 A N -0.311 122.298 122.820 -0.353 0.000 1.969 316 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 316 A C 2.367 179.849 177.584 -0.170 0.000 1.169 316 A CA 1.574 53.389 52.037 -0.370 0.000 0.635 316 A CB -0.417 18.514 19.000 -0.115 0.000 0.810 316 A HN 0.505 nan 8.150 nan 0.000 0.445 317 R N -0.135 120.314 120.500 -0.086 0.000 2.066 317 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 317 R C 2.103 178.314 176.300 -0.148 0.000 1.131 317 R CA 1.587 57.648 56.100 -0.066 0.000 0.955 317 R CB -0.314 29.977 30.300 -0.016 0.000 0.851 317 R HN 0.668 nan 8.270 nan 0.000 0.432 318 E N 0.841 120.920 120.200 -0.201 0.000 2.118 318 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 318 E C 2.112 178.351 176.600 -0.602 0.000 0.992 318 E CA 1.607 57.805 56.400 -0.337 0.000 0.804 318 E CB -0.181 29.325 29.700 -0.323 0.000 0.741 318 E HN 0.473 nan 8.360 nan 0.000 0.458 319 M N -0.193 119.026 119.600 -0.636 0.000 2.236 319 M HA 0.110 4.590 4.480 -0.000 0.000 0.266 319 M C 2.424 178.600 176.300 -0.207 0.000 1.070 319 M CA 1.566 56.543 55.300 -0.538 0.000 1.137 319 M CB -0.216 32.214 32.600 -0.285 0.000 1.378 319 M HN -0.002 nan 8.290 nan 0.000 0.426 320 A N 1.489 124.217 122.820 -0.154 0.000 1.883 320 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 320 A C 2.483 180.007 177.584 -0.100 0.000 1.186 320 A CA 2.202 54.197 52.037 -0.070 0.000 0.624 320 A CB -1.286 17.696 19.000 -0.030 0.000 0.822 320 A HN 0.723 nan 8.150 nan 0.000 0.444 321 A N -1.881 120.839 122.820 -0.166 0.000 2.194 321 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 321 A C 1.812 179.185 177.584 -0.352 0.000 1.162 321 A CA 1.626 53.513 52.037 -0.251 0.000 0.674 321 A CB -0.730 18.077 19.000 -0.320 0.000 0.789 321 A HN 0.718 nan 8.150 nan 0.000 0.470 322 H N -0.407 118.575 119.070 -0.146 0.000 2.874 322 H HA 0.075 4.631 4.556 -0.000 0.000 0.264 322 H C 0.065 175.362 175.328 -0.051 0.000 1.007 322 H CA 0.311 56.305 56.048 -0.091 0.000 1.207 322 H CB 0.212 29.919 29.762 -0.091 0.000 1.487 322 H HN 0.655 nan 8.280 nan 0.000 0.505 323 K N 2.597 123.026 120.400 0.047 0.000 2.542 323 K HA -0.015 4.305 4.320 -0.000 0.000 0.276 323 K C -1.872 174.742 176.600 0.022 0.000 0.963 323 K CA -0.662 55.644 56.287 0.031 0.000 0.975 323 K CB 0.264 32.771 32.500 0.011 0.000 0.901 323 K HN 0.008 nan 8.250 nan 0.000 0.506 324 P HA -0.019 nan 4.420 nan 0.000 0.253 324 P C -0.304 177.012 177.300 0.027 0.000 1.260 324 P CA 0.441 63.549 63.100 0.014 0.000 0.800 324 P CB 0.270 31.975 31.700 0.009 0.000 1.162 325 R N 0.395 120.921 120.500 0.044 0.000 3.081 325 R HA 0.498 4.838 4.340 -0.000 0.000 0.280 325 R C 0.159 176.495 176.300 0.060 0.000 1.372 325 R CA -0.154 55.973 56.100 0.045 0.000 1.242 325 R CB 0.270 30.603 30.300 0.055 0.000 1.316 325 R HN 0.060 nan 8.270 nan 0.000 0.585 326 A N 0.799 123.657 122.820 0.064 0.000 2.343 326 A HA 0.593 4.913 4.320 -0.000 0.000 0.308 326 A C -0.379 177.238 177.584 0.056 0.000 1.092 326 A CA -0.628 51.469 52.037 0.101 0.000 0.751 326 A CB 1.417 20.480 19.000 0.104 0.000 1.203 326 A HN 0.087 nan 8.150 nan 0.000 0.452 327 V N 0.699 120.622 119.914 0.016 0.000 2.789 327 V HA 0.622 4.742 4.120 -0.000 0.000 0.311 327 V C -0.845 175.243 176.094 -0.010 0.000 1.073 327 V CA -0.735 61.529 62.300 -0.060 0.000 0.921 327 V CB 1.576 33.206 31.823 -0.322 0.000 1.009 327 V HN 0.635 nan 8.190 nan 0.000 0.426 328 L N 5.351 126.617 121.223 0.070 0.000 2.360 328 L HA 0.510 4.850 4.340 -0.000 0.000 0.265 328 L C -2.431 174.501 176.870 0.104 0.000 1.066 328 L CA -1.227 53.694 54.840 0.135 0.000 0.929 328 L CB 0.921 43.123 42.059 0.237 0.000 1.306 328 L HN 0.477 nan 8.230 nan 0.000 0.434 329 P HA 0.139 nan 4.420 nan 0.000 0.268 329 P C -2.522 174.921 177.300 0.239 0.000 1.205 329 P CA -1.158 61.928 63.100 -0.023 0.000 0.771 329 P CB -0.113 31.486 31.700 -0.168 0.000 0.858 330 P HA 0.092 nan 4.420 nan 0.000 0.276 330 P C 0.246 177.563 177.300 0.028 0.000 1.235 330 P CA 0.037 63.230 63.100 0.155 0.000 0.772 330 P CB 0.299 32.089 31.700 0.150 0.000 0.871 331 T N 1.824 116.321 114.554 -0.095 0.000 2.701 331 T HA 0.055 4.405 4.350 -0.000 0.000 0.303 331 T C 1.418 176.014 174.700 -0.175 0.000 1.030 331 T CA -0.049 61.809 62.100 -0.404 0.000 1.010 331 T CB 0.324 69.132 68.868 -0.099 0.000 1.007 331 T HN 0.355 nan 8.240 nan 0.000 0.532 332 R N -0.240 120.202 120.500 -0.097 0.000 2.087 332 R HA 0.079 4.419 4.340 -0.000 0.000 0.216 332 R C 0.463 176.839 176.300 0.127 0.000 1.114 332 R CA 0.339 56.487 56.100 0.080 0.000 1.002 332 R CB -0.156 30.268 30.300 0.207 0.000 0.903 332 R HN 0.762 nan 8.270 nan 0.000 0.445 333 H N 0.878 120.015 119.070 0.111 0.000 2.782 333 H HA 0.207 4.763 4.556 -0.000 0.000 0.285 333 H C -0.470 174.967 175.328 0.180 0.000 1.093 333 H CA -0.037 56.110 56.048 0.166 0.000 1.410 333 H CB 0.433 30.338 29.762 0.238 0.000 1.439 333 H HN 0.145 nan 8.280 nan 0.000 0.469 334 N N 4.212 122.695 118.700 -0.361 0.000 2.291 334 N HA 0.018 4.758 4.740 -0.000 0.000 0.244 334 N C 0.442 175.546 175.510 -0.677 0.000 1.216 334 N CA 0.127 52.739 53.050 -0.730 0.000 0.879 334 N CB 1.205 39.377 38.487 -0.526 0.000 1.167 334 N HN 0.395 nan 8.380 nan 0.000 0.515 335 V N -0.019 119.587 119.914 -0.514 0.000 3.406 335 V HA -0.055 4.065 4.120 -0.000 0.000 0.263 335 V C 1.333 177.407 176.094 -0.034 0.000 1.172 335 V CA 0.339 62.467 62.300 -0.287 0.000 1.140 335 V CB -0.502 31.137 31.823 -0.307 0.000 0.784 335 V HN 0.312 nan 8.190 nan 0.000 0.467 336 W N 0.026 121.155 121.300 -0.284 0.000 2.034 336 W HA -0.290 4.370 4.660 -0.000 0.000 0.353 336 W C 0.941 176.961 176.519 -0.831 0.000 1.594 336 W CA 1.590 58.624 57.345 -0.517 0.000 1.772 336 W CB -1.540 27.659 29.460 -0.436 0.000 0.982 336 W HN 0.332 nan 8.180 nan 0.000 0.473 337 Y N -3.669 116.798 120.300 0.278 0.000 2.644 337 Y HA 0.551 5.101 4.550 -0.000 0.000 0.338 337 Y C 1.311 177.244 175.900 0.055 0.000 1.119 337 Y CA -0.716 57.473 58.100 0.148 0.000 1.060 337 Y CB 0.445 39.002 38.460 0.162 0.000 1.294 337 Y HN -0.207 nan 8.280 nan 0.000 0.472 338 G N -0.208 108.695 108.800 0.171 0.000 2.448 338 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 338 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 338 G C 0.786 175.697 174.900 0.019 0.000 1.127 338 G CA 1.263 46.405 45.100 0.071 0.000 0.766 338 G HN 0.764 nan 8.290 nan 0.000 0.552 339 D N 0.988 121.423 120.400 0.059 0.000 2.323 339 D HA -0.050 4.589 4.640 -0.000 0.000 0.209 339 D C 1.383 177.638 176.300 -0.074 0.000 0.973 339 D CA 0.569 54.577 54.000 0.013 0.000 0.874 339 D CB -0.507 40.369 40.800 0.128 0.000 0.930 339 D HN 0.232 nan 8.370 nan 0.000 0.521 340 D N 0.904 121.261 120.400 -0.072 0.000 4.399 340 D HA -0.285 4.355 4.640 -0.000 0.000 0.192 340 D C 1.498 177.641 176.300 -0.261 0.000 1.389 340 D CA 2.560 56.447 54.000 -0.189 0.000 0.883 340 D CB -0.770 39.875 40.800 -0.257 0.000 0.872 340 D HN 0.318 nan 8.370 nan 0.000 0.589 341 T N -0.234 114.119 114.554 -0.335 0.000 2.915 341 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 341 T C 1.865 176.395 174.700 -0.282 0.000 1.071 341 T CA 0.692 62.552 62.100 -0.400 0.000 1.132 341 T CB -0.382 68.147 68.868 -0.563 0.000 0.878 341 T HN 0.402 nan 8.240 nan 0.000 0.479 342 Y N 1.113 121.289 120.300 -0.205 0.000 2.163 342 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 342 Y C 2.963 178.749 175.900 -0.191 0.000 1.136 342 Y CA 0.811 58.804 58.100 -0.178 0.000 1.147 342 Y CB -0.085 38.316 38.460 -0.100 0.000 0.987 342 Y HN 0.014 nan 8.280 nan 0.000 0.509 343 R N 0.473 120.984 120.500 0.019 0.000 2.083 343 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 343 R C 1.950 178.172 176.300 -0.129 0.000 1.137 343 R CA 1.997 58.064 56.100 -0.055 0.000 0.951 343 R CB -0.596 29.653 30.300 -0.084 0.000 0.851 343 R HN 0.185 nan 8.270 nan 0.000 0.434 344 V N 1.297 121.097 119.914 -0.190 0.000 2.343 344 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 344 V C 2.510 178.472 176.094 -0.221 0.000 1.051 344 V CA 2.099 64.286 62.300 -0.189 0.000 1.036 344 V CB -0.481 31.213 31.823 -0.216 0.000 0.654 344 V HN 0.377 nan 8.190 nan 0.000 0.451 345 M N 0.190 119.612 119.600 -0.297 0.000 2.082 345 M HA -0.229 4.251 4.480 -0.000 0.000 0.258 345 M C 2.372 178.117 176.300 -0.924 0.000 1.069 345 M CA 2.390 57.371 55.300 -0.532 0.000 1.102 345 M CB -0.610 31.735 32.600 -0.424 0.000 1.336 345 M HN 0.411 nan 8.290 nan 0.000 0.404 346 A N -0.009 122.459 122.820 -0.587 0.000 1.933 346 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 346 A C 2.149 179.667 177.584 -0.109 0.000 1.175 346 A CA 1.529 53.346 52.037 -0.366 0.000 0.628 346 A CB -0.912 18.022 19.000 -0.109 0.000 0.814 346 A HN 0.562 nan 8.150 nan 0.000 0.444 347 L N -0.682 120.506 121.223 -0.058 0.000 2.093 347 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 347 L C 2.211 179.160 176.870 0.132 0.000 1.085 347 L CA 1.197 56.095 54.840 0.096 0.000 0.755 347 L CB -0.164 41.948 42.059 0.088 0.000 0.904 347 L HN 0.394 nan 8.230 nan 0.000 0.435 348 L N -1.476 119.762 121.223 0.024 0.000 2.109 348 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 348 L C 2.414 179.412 176.870 0.213 0.000 1.086 348 L CA 1.213 56.126 54.840 0.121 0.000 0.760 348 L CB -0.726 41.345 42.059 0.019 0.000 0.910 348 L HN 0.316 nan 8.230 nan 0.000 0.437 349 Y N -0.715 119.630 120.300 0.076 0.000 2.181 349 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 349 Y C 2.668 178.657 175.900 0.148 0.000 1.146 349 Y CA 0.483 58.633 58.100 0.082 0.000 1.164 349 Y CB -0.244 38.259 38.460 0.072 0.000 0.982 349 Y HN -0.080 nan 8.280 nan 0.000 0.515 350 V N 0.693 120.812 119.914 0.340 0.000 2.392 350 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 350 V C 1.835 178.084 176.094 0.258 0.000 1.059 350 V CA 1.854 64.332 62.300 0.297 0.000 1.051 350 V CB -0.546 31.468 31.823 0.319 0.000 0.658 350 V HN 0.513 nan 8.190 nan 0.000 0.455 351 N N -0.054 118.816 118.700 0.285 0.000 2.188 351 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 351 N C 1.830 177.474 175.510 0.225 0.000 1.018 351 N CA 1.267 54.498 53.050 0.301 0.000 0.858 351 N CB -0.188 38.577 38.487 0.464 0.000 0.989 351 N HN 0.351 nan 8.380 nan 0.000 0.426 352 V N 2.147 122.213 119.914 0.253 0.000 2.295 352 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 352 V C 2.399 178.585 176.094 0.154 0.000 1.049 352 V CA 1.138 63.571 62.300 0.222 0.000 1.024 352 V CB -0.440 31.548 31.823 0.275 0.000 0.648 352 V HN 0.260 nan 8.190 nan 0.000 0.447 353 L N -0.768 120.583 121.223 0.214 0.000 2.261 353 L HA -0.165 4.175 4.340 -0.000 0.000 0.216 353 L C 2.098 179.083 176.870 0.191 0.000 1.114 353 L CA 1.244 56.228 54.840 0.241 0.000 0.777 353 L CB -0.348 41.853 42.059 0.237 0.000 0.910 353 L HN 0.354 nan 8.230 nan 0.000 0.440 354 L N -0.879 120.406 121.223 0.104 0.000 2.529 354 L HA 0.150 4.490 4.340 -0.000 0.000 0.223 354 L C 1.428 178.259 176.870 -0.064 0.000 1.113 354 L CA 0.479 55.350 54.840 0.052 0.000 0.861 354 L CB -0.155 41.946 42.059 0.069 0.000 1.012 354 L HN 0.415 nan 8.230 nan 0.000 0.461 355 G N 1.376 110.010 108.800 -0.276 0.000 2.176 355 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 355 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 355 G C 0.469 175.018 174.900 -0.584 0.000 1.024 355 G CA 0.645 45.253 45.100 -0.820 0.000 0.755 355 G HN 0.606 nan 8.290 nan 0.000 0.507 356 N N -0.979 117.573 118.700 -0.248 0.000 2.373 356 N HA 0.101 4.841 4.740 -0.000 0.000 0.181 356 N C 0.625 176.243 175.510 0.181 0.000 1.082 356 N CA -0.178 52.883 53.050 0.018 0.000 0.885 356 N CB -0.007 38.554 38.487 0.124 0.000 0.977 356 N HN 0.493 nan 8.380 nan 0.000 0.462 357 Y N 1.413 121.711 120.300 -0.004 0.000 2.537 357 Y HA 0.380 4.930 4.550 -0.000 0.000 0.339 357 Y C 1.440 177.377 175.900 0.062 0.000 1.066 357 Y CA 0.960 59.056 58.100 -0.007 0.000 1.357 357 Y CB 0.072 38.409 38.460 -0.204 0.000 1.175 357 Y HN 0.376 nan 8.280 nan 0.000 0.525 358 G N 4.483 113.180 108.800 -0.172 0.000 2.157 358 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 358 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 358 G C 0.012 175.121 174.900 0.348 0.000 0.979 358 G CA -0.279 44.828 45.100 0.011 0.000 0.650 358 G HN 0.532 nan 8.290 nan 0.000 0.529 359 R N -0.085 120.602 120.500 0.311 0.000 2.778 359 R HA 0.508 4.848 4.340 -0.000 0.000 0.277 359 R C -2.934 173.465 176.300 0.165 0.000 0.977 359 R CA -2.176 54.056 56.100 0.220 0.000 0.950 359 R CB 1.611 31.978 30.300 0.112 0.000 1.165 359 R HN -0.018 nan 8.270 nan 0.000 0.474 360 P HA 0.130 nan 4.420 nan 0.000 0.271 360 P C 0.352 177.627 177.300 -0.042 0.000 1.233 360 P CA 0.562 63.516 63.100 -0.243 0.000 0.764 360 P CB 0.803 32.149 31.700 -0.589 0.000 0.825 361 G N 2.770 111.602 108.800 0.052 0.000 4.205 361 G HA2 0.028 3.988 3.960 -0.000 0.000 0.200 361 G HA3 0.028 3.988 3.960 -0.000 0.000 0.200 361 G C 0.625 175.496 174.900 -0.048 0.000 1.190 361 G CA 0.341 45.449 45.100 0.013 0.000 0.861 361 G HN 0.625 nan 8.290 nan 0.000 0.326 362 G N -0.682 108.069 108.800 -0.082 0.000 3.193 362 G HA2 0.445 4.405 3.960 -0.000 0.000 0.183 362 G HA3 0.445 4.405 3.960 -0.000 0.000 0.183 362 G C -0.422 174.082 174.900 -0.659 0.000 1.254 362 G CA -0.024 44.841 45.100 -0.392 0.000 0.898 362 G HN 0.412 nan 8.290 nan 0.000 0.816 363 F N 1.821 121.637 119.950 -0.224 0.000 2.902 363 F HA 0.285 4.811 4.527 -0.000 0.000 0.368 363 F C 0.862 176.394 175.800 -0.447 0.000 1.202 363 F CA -1.314 56.378 58.000 -0.513 0.000 1.109 363 F CB 1.249 39.852 39.000 -0.661 0.000 1.418 363 F HN 0.170 nan 8.300 nan 0.000 0.527 364 Y N 1.758 121.946 120.300 -0.188 0.000 2.439 364 Y HA 0.290 4.840 4.550 -0.000 0.000 0.292 364 Y C 0.564 176.158 175.900 -0.510 0.000 1.130 364 Y CA -0.642 57.170 58.100 -0.479 0.000 1.254 364 Y CB -0.259 37.714 38.460 -0.812 0.000 1.000 364 Y HN 0.253 nan 8.280 nan 0.000 0.554 365 I N 0.007 120.472 120.570 -0.175 0.000 7.121 365 I HA -0.076 4.094 4.170 -0.000 0.000 0.127 365 I C -0.555 175.607 176.117 0.075 0.000 1.835 365 I CA -0.317 60.894 61.300 -0.148 0.000 2.037 365 I CB -1.602 36.356 38.000 -0.070 0.000 3.599 365 I HN 0.396 nan 8.210 nan 0.000 0.169 366 A N 7.488 130.342 122.820 0.057 0.000 2.249 366 A HA 0.718 5.038 4.320 -0.000 0.000 0.314 366 A C 0.125 177.760 177.584 0.085 0.000 1.290 366 A CA -0.486 51.619 52.037 0.113 0.000 0.893 366 A CB 1.107 20.181 19.000 0.123 0.000 1.165 366 A HN 0.500 nan 8.150 nan 0.000 0.530 367 Q N 0.938 120.785 119.800 0.079 0.000 2.274 367 Q HA 0.398 4.738 4.340 -0.000 0.000 0.260 367 Q C -0.068 175.955 176.000 0.037 0.000 0.974 367 Q CA -0.199 55.657 55.803 0.089 0.000 0.876 367 Q CB 1.984 30.787 28.738 0.109 0.000 1.297 367 Q HN 0.706 nan 8.270 nan 0.000 0.446 368 S N 3.023 118.743 115.700 0.034 0.000 2.565 368 S HA 0.385 4.855 4.470 -0.000 0.000 0.276 368 S C -2.088 172.506 174.600 -0.010 0.000 1.326 368 S CA -0.953 57.242 58.200 -0.009 0.000 1.045 368 S CB 0.438 63.639 63.200 0.001 0.000 0.918 368 S HN 0.332 nan 8.310 nan 0.000 0.505 369 P HA 0.128 nan 4.420 nan 0.000 0.274 369 P C -1.354 175.943 177.300 -0.004 0.000 1.246 369 P CA -0.368 62.710 63.100 -0.036 0.000 0.795 369 P CB 0.301 31.944 31.700 -0.095 0.000 1.006 370 Y N 1.854 122.099 120.300 -0.092 0.000 2.404 370 Y HA 0.529 5.079 4.550 -0.000 0.000 0.344 370 Y C -0.956 174.862 175.900 -0.137 0.000 0.970 370 Y CA -0.549 57.492 58.100 -0.098 0.000 1.180 370 Y CB 0.240 38.651 38.460 -0.082 0.000 1.138 370 Y HN 0.217 nan 8.280 nan 0.000 0.510 371 L N 7.236 127.948 121.223 -0.853 0.000 2.528 371 L HA 0.310 4.650 4.340 -0.000 0.000 0.267 371 L C -1.075 175.326 176.870 -0.781 0.000 0.961 371 L CA -0.657 53.691 54.840 -0.820 0.000 0.866 371 L CB 1.884 43.599 42.059 -0.573 0.000 1.248 371 L HN 0.777 nan 8.230 nan 0.000 0.404 372 E N 4.906 124.607 120.200 -0.831 0.000 2.338 372 E HA 0.206 4.556 4.350 -0.000 0.000 0.272 372 E C -0.568 175.854 176.600 -0.297 0.000 1.029 372 E CA -0.413 55.702 56.400 -0.474 0.000 0.872 372 E CB 1.116 30.619 29.700 -0.328 0.000 1.015 372 E HN 0.434 nan 8.360 nan 0.000 0.417 373 K N 2.680 122.979 120.400 -0.169 0.000 2.336 373 K HA -0.053 4.267 4.320 -0.000 0.000 0.262 373 K C -0.478 176.069 176.600 -0.087 0.000 0.992 373 K CA -0.049 56.182 56.287 -0.093 0.000 0.927 373 K CB 0.275 32.782 32.500 0.013 0.000 0.956 373 K HN 0.506 nan 8.250 nan 0.000 0.495 374 Y N 2.583 122.755 120.300 -0.213 0.000 2.377 374 Y HA 0.125 4.675 4.550 -0.000 0.000 0.330 374 Y C -2.028 173.855 175.900 -0.028 0.000 1.108 374 Y CA -2.187 55.764 58.100 -0.248 0.000 1.308 374 Y CB 0.602 38.769 38.460 -0.489 0.000 1.216 374 Y HN 0.392 nan 8.280 nan 0.000 0.518 375 P HA 0.139 nan 4.420 nan 0.000 0.261 375 P C -1.187 176.216 177.300 0.172 0.000 1.203 375 P CA 0.684 63.762 63.100 -0.036 0.000 0.767 375 P CB 0.301 31.897 31.700 -0.173 0.000 0.785 376 L N 4.132 125.476 121.223 0.201 0.000 2.600 376 L HA 0.533 4.873 4.340 -0.000 0.000 0.257 376 L C -2.386 174.574 176.870 0.149 0.000 1.048 376 L CA -2.452 52.526 54.840 0.230 0.000 0.869 376 L CB 1.909 44.215 42.059 0.411 0.000 1.482 376 L HN 0.119 nan 8.230 nan 0.000 0.408 377 P HA 0.278 nan 4.420 nan 0.000 0.272 377 P C -2.566 174.858 177.300 0.206 0.000 1.223 377 P CA -1.060 62.064 63.100 0.040 0.000 0.784 377 P CB -0.217 31.393 31.700 -0.150 0.000 0.923 378 P HA 0.030 nan 4.420 nan 0.000 0.268 378 P C -0.452 176.987 177.300 0.231 0.000 1.208 378 P CA 0.048 63.246 63.100 0.164 0.000 0.777 378 P CB 0.273 32.030 31.700 0.096 0.000 0.875 379 L N 5.004 126.274 121.223 0.079 0.000 2.371 379 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 379 L C -1.186 175.629 176.870 -0.091 0.000 1.124 379 L CA -1.853 52.901 54.840 -0.144 0.000 0.816 379 L CB -0.315 41.563 42.059 -0.301 0.000 1.129 379 L HN 0.353 nan 8.230 nan 0.000 0.448 380 P HA -0.154 nan 4.420 nan 0.000 0.217 380 P C -0.221 177.039 177.300 -0.066 0.000 1.162 380 P CA 1.489 64.546 63.100 -0.071 0.000 0.901 380 P CB 0.163 31.794 31.700 -0.114 0.000 0.793 381 L N -1.354 119.809 121.223 -0.100 0.000 2.322 381 L HA 0.427 4.767 4.340 -0.000 0.000 0.281 381 L C 0.353 177.196 176.870 -0.046 0.000 1.014 381 L CA -0.726 54.082 54.840 -0.052 0.000 0.815 381 L CB 1.718 43.753 42.059 -0.040 0.000 1.247 381 L HN -0.232 nan 8.230 nan 0.000 0.421 382 E N 3.008 123.207 120.200 -0.002 0.000 2.235 382 E HA 0.578 4.928 4.350 -0.000 0.000 0.265 382 E C -2.294 174.330 176.600 0.040 0.000 0.940 382 E CA -1.444 54.964 56.400 0.014 0.000 0.819 382 E CB 1.315 31.031 29.700 0.027 0.000 1.206 382 E HN 0.347 nan 8.360 nan 0.000 0.409 383 P HA 0.461 nan 4.420 nan 0.000 0.278 383 P C -1.649 175.685 177.300 0.057 0.000 1.266 383 P CA -0.771 62.364 63.100 0.058 0.000 0.807 383 P CB 1.270 33.004 31.700 0.057 0.000 1.094 384 A N 0.661 123.513 122.820 0.054 0.000 2.586 384 A HA 0.566 4.886 4.320 -0.000 0.000 0.320 384 A C 0.441 178.054 177.584 0.048 0.000 1.281 384 A CA -0.574 51.490 52.037 0.044 0.000 0.775 384 A CB 0.039 19.053 19.000 0.024 0.000 1.122 384 A HN 0.550 nan 8.150 nan 0.000 0.470 385 A N 2.345 125.199 122.820 0.056 0.000 2.900 385 A HA 0.476 4.796 4.320 -0.000 0.000 0.246 385 A C 1.140 178.768 177.584 0.073 0.000 1.725 385 A CA 0.457 52.531 52.037 0.062 0.000 1.400 385 A CB -1.134 17.904 19.000 0.064 0.000 0.973 385 A HN 1.397 nan 8.150 nan 0.000 0.635 386 G N -1.086 107.757 108.800 0.072 0.000 2.720 386 G HA2 0.385 4.345 3.960 -0.000 0.000 0.237 386 G HA3 0.385 4.345 3.960 -0.000 0.000 0.237 386 G C 0.892 175.869 174.900 0.129 0.000 1.239 386 G CA 0.344 45.500 45.100 0.093 0.000 0.847 386 G HN 1.225 nan 8.290 nan 0.000 0.593 387 G N -1.756 107.136 108.800 0.154 0.000 4.242 387 G HA2 0.250 4.210 3.960 -0.000 0.000 0.159 387 G HA3 0.250 4.210 3.960 -0.000 0.000 0.159 387 G C 0.266 175.236 174.900 0.117 0.000 0.921 387 G CA 0.923 46.121 45.100 0.164 0.000 0.910 387 G HN 1.520 nan 8.290 nan 0.000 0.419 388 C N -0.514 118.950 119.300 0.274 0.000 3.335 388 C HA 0.760 5.220 4.460 -0.000 0.000 0.356 388 C C 1.334 176.469 174.990 0.243 0.000 1.570 388 C CA 0.135 59.427 59.018 0.456 0.000 1.271 388 C CB 1.030 28.963 27.740 0.321 0.000 1.873 388 C HN 1.751 nan 8.230 nan 0.000 0.439 389 S N -0.671 115.102 115.700 0.122 0.000 3.311 389 S HA 0.154 4.624 4.470 -0.000 0.000 0.373 389 S C 0.970 175.597 174.600 0.045 0.000 0.945 389 S CA 1.340 59.565 58.200 0.041 0.000 1.238 389 S CB -2.150 61.064 63.200 0.022 0.000 0.893 389 S HN 3.213 nan 8.310 nan 0.000 0.478 390 G N 0.975 109.815 108.800 0.067 0.000 2.467 390 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.242 390 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.242 390 G C -1.231 173.670 174.900 0.002 0.000 1.127 390 G CA -0.222 44.889 45.100 0.018 0.000 0.924 390 G HN 0.805 nan 8.290 nan 0.000 0.499 391 P HA 0.275 nan 4.420 nan 0.000 0.254 391 P C 1.005 178.249 177.300 -0.093 0.000 1.620 391 P CA 0.573 63.668 63.100 -0.009 0.000 1.050 391 P CB 1.064 32.800 31.700 0.060 0.000 1.539 392 S N 0.691 116.293 115.700 -0.163 0.000 2.477 392 S HA 0.309 4.779 4.470 -0.000 0.000 0.162 392 S C 1.562 175.996 174.600 -0.277 0.000 0.909 392 S CA 1.008 59.055 58.200 -0.255 0.000 1.147 392 S CB -0.786 62.215 63.200 -0.331 0.000 0.740 392 S HN 0.173 nan 8.310 nan 0.000 0.478 393 G N -0.487 108.185 108.800 -0.213 0.000 3.863 393 G HA2 0.430 4.390 3.960 -0.000 0.000 0.290 393 G HA3 0.430 4.390 3.960 -0.000 0.000 0.290 393 G C 0.958 175.829 174.900 -0.048 0.000 1.018 393 G CA 0.445 45.441 45.100 -0.172 0.000 0.824 393 G HN 0.669 nan 8.290 nan 0.000 0.507 394 G N 1.819 110.585 108.800 -0.057 0.000 2.469 394 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 394 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 394 G C 1.278 176.188 174.900 0.017 0.000 1.150 394 G CA 1.527 46.615 45.100 -0.019 0.000 0.763 394 G HN 0.469 nan 8.290 nan 0.000 0.561 395 D N -0.922 119.512 120.400 0.056 0.000 2.355 395 D HA 0.063 4.703 4.640 -0.000 0.000 0.218 395 D C 1.575 177.970 176.300 0.159 0.000 1.004 395 D CA 0.507 54.567 54.000 0.100 0.000 0.880 395 D CB -0.346 40.526 40.800 0.121 0.000 0.911 395 D HN 0.349 nan 8.370 nan 0.000 0.528 396 H N -0.140 118.903 119.070 -0.044 0.000 2.547 396 H HA 0.231 4.787 4.556 -0.000 0.000 0.272 396 H C 1.676 176.968 175.328 -0.059 0.000 0.971 396 H CA 0.658 56.680 56.048 -0.043 0.000 1.245 396 H CB 0.448 30.193 29.762 -0.029 0.000 1.440 396 H HN 0.223 nan 8.280 nan 0.000 0.540 397 E N -0.167 120.061 120.200 0.047 0.000 2.011 397 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 397 E C -0.556 176.001 176.600 -0.071 0.000 0.979 397 E CA 0.801 57.194 56.400 -0.012 0.000 0.822 397 E CB -0.075 29.620 29.700 -0.009 0.000 0.782 397 E HN 0.316 nan 8.360 nan 0.000 0.459 398 P HA 0.065 nan 4.420 nan 0.000 0.225 398 P C -0.933 176.255 177.300 -0.186 0.000 1.142 398 P CA 0.142 63.161 63.100 -0.134 0.000 0.894 398 P CB 0.315 31.959 31.700 -0.094 0.000 0.895 399 E N 1.922 122.050 120.200 -0.120 0.000 3.024 399 E HA 0.090 4.440 4.350 -0.000 0.000 0.224 399 E C 1.330 177.826 176.600 -0.174 0.000 1.135 399 E CA 1.421 57.756 56.400 -0.109 0.000 0.934 399 E CB -1.192 28.485 29.700 -0.039 0.000 0.977 399 E HN 0.295 nan 8.360 nan 0.000 0.537 400 G N 2.904 111.558 108.800 -0.245 0.000 2.574 400 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.282 400 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.282 400 G C 0.458 175.016 174.900 -0.569 0.000 1.257 400 G CA 0.311 45.234 45.100 -0.294 0.000 0.956 400 G HN 0.472 nan 8.290 nan 0.000 0.560 401 F N 0.815 120.702 119.950 -0.104 0.000 2.559 401 F HA 0.401 4.928 4.527 -0.000 0.000 0.286 401 F C 1.517 177.220 175.800 -0.162 0.000 1.108 401 F CA 1.326 59.254 58.000 -0.121 0.000 1.436 401 F CB 0.422 39.353 39.000 -0.115 0.000 1.130 401 F HN 0.150 nan 8.300 nan 0.000 0.584 402 K N 1.161 121.516 120.400 -0.075 0.000 2.690 402 K HA 0.222 4.542 4.320 -0.000 0.000 0.264 402 K C -2.856 173.578 176.600 -0.277 0.000 1.040 402 K CA -1.630 54.523 56.287 -0.223 0.000 0.946 402 K CB 2.236 34.508 32.500 -0.381 0.000 1.268 402 K HN -0.233 nan 8.250 nan 0.000 0.473 403 P HA -0.019 nan 4.420 nan 0.000 0.269 403 P C -0.484 176.839 177.300 0.038 0.000 1.215 403 P CA -0.255 62.655 63.100 -0.317 0.000 0.780 403 P CB 0.477 32.196 31.700 0.032 0.000 0.898 404 R N 1.497 122.087 120.500 0.149 0.000 2.523 404 R HA 0.058 4.397 4.340 -0.000 0.000 0.281 404 R C 0.812 177.300 176.300 0.314 0.000 0.969 404 R CA 0.300 56.580 56.100 0.299 0.000 1.093 404 R CB -0.547 29.957 30.300 0.341 0.000 0.917 404 R HN 0.475 nan 8.270 nan 0.000 0.408 405 A N 2.735 125.752 122.820 0.328 0.000 2.259 405 A HA -0.134 4.186 4.320 -0.000 0.000 0.212 405 A C 0.669 178.305 177.584 0.087 0.000 1.178 405 A CA 1.207 53.351 52.037 0.178 0.000 0.734 405 A CB -0.378 18.525 19.000 -0.162 0.000 0.774 405 A HN 0.919 nan 8.150 nan 0.000 0.481 406 D N -1.454 119.005 120.400 0.097 0.000 2.501 406 D HA 0.048 4.687 4.640 -0.000 0.000 0.224 406 D C 1.066 177.275 176.300 -0.153 0.000 1.202 406 D CA 0.042 54.059 54.000 0.029 0.000 0.829 406 D CB -0.130 40.758 40.800 0.146 0.000 1.023 406 D HN 0.205 nan 8.370 nan 0.000 0.499 407 K N 1.424 121.787 120.400 -0.062 0.000 2.160 407 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 407 K C 1.658 178.126 176.600 -0.220 0.000 1.047 407 K CA 1.943 58.157 56.287 -0.121 0.000 0.930 407 K CB -0.635 31.904 32.500 0.064 0.000 0.720 407 K HN 0.184 nan 8.250 nan 0.000 0.450 408 G N -0.658 108.050 108.800 -0.154 0.000 3.277 408 G HA2 0.038 3.998 3.960 -0.000 0.000 0.243 408 G HA3 0.038 3.998 3.960 -0.000 0.000 0.243 408 G C 0.715 175.521 174.900 -0.156 0.000 1.107 408 G CA -0.331 44.685 45.100 -0.140 0.000 0.771 408 G HN 0.253 nan 8.290 nan 0.000 0.544 409 K N -0.353 119.893 120.400 -0.256 0.000 2.296 409 K HA 0.193 4.513 4.320 -0.000 0.000 0.200 409 K C 0.114 176.764 176.600 0.084 0.000 1.048 409 K CA 0.538 56.783 56.287 -0.070 0.000 0.966 409 K CB 0.044 32.596 32.500 0.086 0.000 0.754 409 K HN 0.521 nan 8.250 nan 0.000 0.466 410 F N -4.761 115.229 119.950 0.067 0.000 2.715 410 F HA 0.275 4.802 4.527 -0.000 0.000 0.318 410 F C 0.528 176.410 175.800 0.138 0.000 1.141 410 F CA -1.511 56.550 58.000 0.101 0.000 0.950 410 F CB 0.148 39.190 39.000 0.070 0.000 1.374 410 F HN -0.298 nan 8.300 nan 0.000 0.477 411 F N 1.780 121.899 119.950 0.283 0.000 2.098 411 F HA 0.365 4.892 4.527 -0.000 0.000 0.294 411 F C 1.590 177.535 175.800 0.241 0.000 1.107 411 F CA 1.185 59.317 58.000 0.220 0.000 1.234 411 F CB -0.527 38.645 39.000 0.288 0.000 1.002 411 F HN 0.688 nan 8.300 nan 0.000 0.472 412 A N 0.858 124.038 122.820 0.600 0.000 2.455 412 A HA 0.108 4.428 4.320 -0.000 0.000 0.244 412 A C 1.172 178.895 177.584 0.231 0.000 1.099 412 A CA 0.135 52.423 52.037 0.417 0.000 0.786 412 A CB 0.079 19.276 19.000 0.329 0.000 1.051 412 A HN 0.552 nan 8.150 nan 0.000 0.508 413 R N 0.292 120.876 120.500 0.139 0.000 2.334 413 R HA 0.092 4.432 4.340 -0.000 0.000 0.216 413 R C 0.198 176.561 176.300 0.104 0.000 0.905 413 R CA 0.610 56.733 56.100 0.038 0.000 1.064 413 R CB -1.928 28.356 30.300 -0.028 0.000 1.046 413 R HN 0.546 nan 8.270 nan 0.000 0.508 414 S N 0.400 116.209 115.700 0.183 0.000 2.579 414 S HA 0.151 4.621 4.470 -0.000 0.000 0.275 414 S C 0.098 174.830 174.600 0.219 0.000 1.345 414 S CA -0.384 57.899 58.200 0.138 0.000 1.031 414 S CB 1.103 64.334 63.200 0.053 0.000 0.892 414 S HN 0.168 nan 8.310 nan 0.000 0.529 415 T N 1.594 116.235 114.554 0.145 0.000 2.851 415 T HA 0.480 4.830 4.350 -0.000 0.000 0.298 415 T C 0.006 174.769 174.700 0.106 0.000 0.977 415 T CA -0.241 61.963 62.100 0.172 0.000 1.126 415 T CB 0.026 68.980 68.868 0.144 0.000 0.916 415 T HN 0.859 nan 8.240 nan 0.000 0.529 416 A N 5.163 128.079 122.820 0.161 0.000 2.273 416 A HA 0.430 4.750 4.320 -0.000 0.000 0.320 416 A C 1.387 178.911 177.584 -0.100 0.000 1.358 416 A CA -0.630 51.385 52.037 -0.036 0.000 0.910 416 A CB -0.036 18.902 19.000 -0.103 0.000 1.159 416 A HN 1.047 nan 8.150 nan 0.000 0.526 417 I N 2.032 122.436 120.570 -0.276 0.000 2.236 417 I HA -0.404 3.765 4.170 -0.000 0.000 0.249 417 I C 2.384 178.247 176.117 -0.423 0.000 1.102 417 I CA 2.499 63.469 61.300 -0.551 0.000 1.365 417 I CB 0.184 37.728 38.000 -0.759 0.000 1.051 417 I HN 0.901 nan 8.210 nan 0.000 0.420 418 Q N -0.355 119.258 119.800 -0.311 0.000 2.378 418 Q HA -0.086 4.254 4.340 -0.000 0.000 0.205 418 Q C 1.638 177.600 176.000 -0.064 0.000 0.954 418 Q CA 0.902 56.559 55.803 -0.244 0.000 0.901 418 Q CB -0.232 28.249 28.738 -0.428 0.000 0.981 418 Q HN 0.441 nan 8.270 nan 0.000 0.483 419 E N 0.758 120.964 120.200 0.009 0.000 2.340 419 E HA 0.095 4.445 4.350 -0.000 0.000 0.194 419 E C 1.402 178.067 176.600 0.109 0.000 0.996 419 E CA 0.402 56.871 56.400 0.115 0.000 0.869 419 E CB 0.235 30.069 29.700 0.223 0.000 0.835 419 E HN 0.439 nan 8.360 nan 0.000 0.493 420 L N 0.867 122.166 121.223 0.127 0.000 2.627 420 L HA 0.132 4.472 4.340 -0.000 0.000 0.233 420 L C 1.885 178.849 176.870 0.157 0.000 1.144 420 L CA 0.124 55.057 54.840 0.155 0.000 0.892 420 L CB -0.149 42.077 42.059 0.278 0.000 1.039 420 L HN 0.005 nan 8.230 nan 0.000 0.442 421 I N -0.513 120.139 120.570 0.137 0.000 3.228 421 I HA -0.093 4.077 4.170 -0.000 0.000 0.279 421 I C 2.349 178.488 176.117 0.036 0.000 1.221 421 I CA 0.657 62.020 61.300 0.106 0.000 1.458 421 I CB -0.017 38.039 38.000 0.093 0.000 1.105 421 I HN 0.409 nan 8.210 nan 0.000 0.445 422 E N 2.128 122.348 120.200 0.033 0.000 2.046 422 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 422 E C -0.706 175.879 176.600 -0.026 0.000 0.982 422 E CA 0.952 57.359 56.400 0.011 0.000 0.800 422 E CB -0.508 29.207 29.700 0.025 0.000 0.756 422 E HN 0.202 nan 8.360 nan 0.000 0.449 423 P HA -0.168 nan 4.420 nan 0.000 0.220 423 P C 1.033 178.262 177.300 -0.119 0.000 1.144 423 P CA 1.579 64.598 63.100 -0.135 0.000 0.800 423 P CB -0.083 31.475 31.700 -0.237 0.000 0.772 424 M N -2.966 116.585 119.600 -0.082 0.000 2.506 424 M HA 0.032 4.512 4.480 -0.000 0.000 0.260 424 M C 1.668 177.938 176.300 -0.049 0.000 1.104 424 M CA 1.122 56.375 55.300 -0.079 0.000 1.112 424 M CB -0.226 32.328 32.600 -0.076 0.000 1.401 424 M HN -0.075 nan 8.290 nan 0.000 0.473 425 I N -0.698 119.853 120.570 -0.032 0.000 2.685 425 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 425 I C 2.493 178.603 176.117 -0.010 0.000 1.102 425 I CA 1.269 62.561 61.300 -0.014 0.000 1.442 425 I CB -0.243 37.754 38.000 -0.005 0.000 1.194 425 I HN 0.269 nan 8.210 nan 0.000 0.448 426 T N -2.077 112.469 114.554 -0.014 0.000 3.057 426 T HA 0.229 4.579 4.350 -0.000 0.000 0.254 426 T C 1.668 176.364 174.700 -0.007 0.000 1.094 426 T CA 0.549 62.645 62.100 -0.006 0.000 1.088 426 T CB 0.333 69.198 68.868 -0.004 0.000 0.934 426 T HN 0.504 nan 8.240 nan 0.000 0.497 427 G N 1.104 109.886 108.800 -0.030 0.000 2.148 427 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 427 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 427 G C 0.186 175.073 174.900 -0.022 0.000 0.981 427 G CA 0.481 45.566 45.100 -0.025 0.000 0.670 427 G HN 0.648 nan 8.290 nan 0.000 0.528 428 E N 1.360 121.540 120.200 -0.034 0.000 4.442 428 E HA 0.172 4.522 4.350 -0.000 0.000 0.560 428 E C -1.402 175.173 176.600 -0.043 0.000 1.511 428 E CA -0.174 56.215 56.400 -0.018 0.000 3.706 428 E CB -0.439 29.254 29.700 -0.012 0.000 1.276 428 E HN 0.228 nan 8.360 nan 0.000 0.419 429 P HA -0.243 nan 4.420 nan 0.000 0.044 429 P C -0.529 176.721 177.300 -0.083 0.000 0.521 429 P CA 1.454 64.573 63.100 0.032 0.000 1.057 429 P CB -1.566 30.124 31.700 -0.016 0.000 1.807 430 Y N -1.262 119.074 120.300 0.060 0.000 2.920 430 Y HA -0.250 4.300 4.550 -0.000 0.000 0.465 430 Y C -2.971 172.964 175.900 0.058 0.000 1.213 430 Y CA -0.228 57.917 58.100 0.075 0.000 2.445 430 Y CB -2.227 36.285 38.460 0.087 0.000 1.249 430 Y HN 0.268 nan 8.280 nan 0.000 0.635 431 P HA 0.630 nan 4.420 nan 0.000 0.328 431 P C -1.471 175.779 177.300 -0.082 0.000 1.512 431 P CA -0.532 62.545 63.100 -0.039 0.000 1.268 431 P CB 2.534 34.200 31.700 -0.057 0.000 1.766 432 I N 2.677 123.148 120.570 -0.166 0.000 2.390 432 I HA 0.334 4.504 4.170 -0.000 0.000 0.283 432 I C 0.400 176.411 176.117 -0.176 0.000 1.016 432 I CA -0.444 60.780 61.300 -0.125 0.000 1.151 432 I CB 0.829 38.760 38.000 -0.115 0.000 1.293 432 I HN 0.004 nan 8.210 nan 0.000 0.458 433 K N 4.116 124.376 120.400 -0.234 0.000 2.168 433 K HA 0.695 5.015 4.320 -0.000 0.000 0.239 433 K C 0.101 176.622 176.600 -0.132 0.000 0.999 433 K CA -0.690 55.468 56.287 -0.216 0.000 0.900 433 K CB 1.452 33.742 32.500 -0.349 0.000 1.111 433 K HN 0.699 nan 8.250 nan 0.000 0.452 434 G N 0.570 109.316 108.800 -0.089 0.000 3.255 434 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.673 434 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.673 434 G C -1.121 173.682 174.900 -0.161 0.000 0.995 434 G CA -0.305 44.741 45.100 -0.091 0.000 0.988 434 G HN 0.476 nan 8.290 nan 0.000 0.540 435 L N 2.373 123.506 121.223 -0.150 0.000 2.513 435 L HA 0.890 5.230 4.340 -0.000 0.000 0.261 435 L C -1.308 175.504 176.870 -0.098 0.000 0.945 435 L CA -1.142 53.568 54.840 -0.217 0.000 0.848 435 L CB 1.684 43.562 42.059 -0.303 0.000 1.334 435 L HN 0.520 nan 8.230 nan 0.000 0.407 436 F N 3.438 123.216 119.950 -0.288 0.000 2.450 436 F HA 0.814 5.341 4.527 -0.000 0.000 0.332 436 F C 0.364 176.211 175.800 0.080 0.000 1.093 436 F CA -0.100 57.867 58.000 -0.055 0.000 1.003 436 F CB 2.290 41.303 39.000 0.022 0.000 1.151 436 F HN 0.627 nan 8.300 nan 0.000 0.474 437 A N 3.860 126.870 122.820 0.317 0.000 2.483 437 A HA 0.406 4.726 4.320 -0.000 0.000 0.308 437 A C -1.912 175.841 177.584 0.282 0.000 1.291 437 A CA -0.472 51.766 52.037 0.335 0.000 0.774 437 A CB -0.197 19.036 19.000 0.389 0.000 1.134 437 A HN 0.643 nan 8.150 nan 0.000 0.471 438 Y N 2.414 122.848 120.300 0.223 0.000 2.454 438 Y HA 0.434 4.984 4.550 -0.000 0.000 0.345 438 Y C 1.120 177.120 175.900 0.166 0.000 0.970 438 Y CA 0.218 58.372 58.100 0.091 0.000 1.204 438 Y CB 0.672 39.161 38.460 0.048 0.000 1.122 438 Y HN 1.283 nan 8.280 nan 0.000 0.514 439 G N 6.920 115.441 108.800 -0.464 0.000 2.412 439 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.297 439 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.297 439 G C -0.495 174.421 174.900 0.027 0.000 0.965 439 G CA 0.610 45.554 45.100 -0.260 0.000 1.134 439 G HN 0.703 nan 8.290 nan 0.000 0.511 440 I N -0.309 120.297 120.570 0.059 0.000 2.571 440 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 440 I C -0.440 175.547 176.117 -0.217 0.000 1.115 440 I CA -1.145 60.175 61.300 0.033 0.000 1.045 440 I CB 1.639 39.689 38.000 0.083 0.000 1.238 440 I HN 0.144 nan 8.210 nan 0.000 0.424 441 N N 6.956 125.536 118.700 -0.200 0.000 2.549 441 N HA 0.215 4.955 4.740 -0.000 0.000 0.267 441 N C 1.333 176.581 175.510 -0.436 0.000 1.182 441 N CA -0.263 52.560 53.050 -0.378 0.000 1.019 441 N CB 0.482 38.955 38.487 -0.024 0.000 1.380 441 N HN 0.597 nan 8.380 nan 0.000 0.505 442 L N 1.901 122.618 121.223 -0.844 0.000 2.043 442 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 442 L C 1.169 177.969 176.870 -0.118 0.000 1.075 442 L CA 1.491 56.070 54.840 -0.435 0.000 0.752 442 L CB -0.351 41.395 42.059 -0.522 0.000 0.891 442 L HN 0.665 nan 8.230 nan 0.000 0.432 443 F N -2.321 117.528 119.950 -0.169 0.000 2.797 443 F HA 0.017 4.544 4.527 -0.000 0.000 0.302 443 F C 2.116 177.740 175.800 -0.294 0.000 1.130 443 F CA -0.130 57.733 58.000 -0.228 0.000 1.387 443 F CB 0.091 39.020 39.000 -0.118 0.000 1.107 443 F HN 0.209 nan 8.300 nan 0.000 0.577 444 H N -2.166 116.930 119.070 0.044 0.000 3.205 444 H HA 0.193 4.749 4.556 -0.000 0.000 0.252 444 H C 1.523 176.873 175.328 0.036 0.000 1.015 444 H CA 0.413 56.507 56.048 0.076 0.000 1.192 444 H CB 0.722 30.536 29.762 0.086 0.000 1.474 444 H HN 0.046 nan 8.280 nan 0.000 0.484 445 S N 0.559 116.276 115.700 0.027 0.000 2.524 445 S HA 0.244 4.714 4.470 -0.000 0.000 0.215 445 S C 0.670 175.146 174.600 -0.206 0.000 0.986 445 S CA 0.036 58.167 58.200 -0.115 0.000 0.911 445 S CB 0.831 63.949 63.200 -0.137 0.000 0.805 445 S HN 0.133 nan 8.310 nan 0.000 0.501 446 I N 3.442 123.895 120.570 -0.195 0.000 2.436 446 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 446 I C -2.567 173.410 176.117 -0.233 0.000 1.010 446 I CA -2.658 58.498 61.300 -0.239 0.000 1.098 446 I CB 2.324 40.201 38.000 -0.205 0.000 1.266 446 I HN -0.101 nan 8.210 nan 0.000 0.434 447 P HA 0.059 nan 4.420 nan 0.000 0.274 447 P C -0.309 176.911 177.300 -0.133 0.000 1.256 447 P CA -0.163 62.815 63.100 -0.203 0.000 0.795 447 P CB 0.485 32.080 31.700 -0.174 0.000 1.038 448 N N -0.315 118.314 118.700 -0.118 0.000 2.725 448 N HA -0.119 4.621 4.740 -0.000 0.000 0.256 448 N C 0.595 175.987 175.510 -0.196 0.000 1.087 448 N CA 0.488 53.476 53.050 -0.103 0.000 0.690 448 N CB -1.567 36.929 38.487 0.015 0.000 0.891 448 N HN 0.058 nan 8.380 nan 0.000 0.553 449 V N 0.588 120.288 119.914 -0.356 0.000 2.380 449 V HA -0.189 3.931 4.120 -0.000 0.000 0.251 449 V C -0.501 175.341 176.094 -0.419 0.000 1.063 449 V CA 2.313 64.307 62.300 -0.510 0.000 1.055 449 V CB -0.899 30.318 31.823 -1.010 0.000 0.657 449 V HN 0.424 nan 8.190 nan 0.000 0.455 450 P HA -0.160 nan 4.420 nan 0.000 0.216 450 P C 1.779 179.001 177.300 -0.131 0.000 1.153 450 P CA 1.392 64.382 63.100 -0.183 0.000 0.848 450 P CB -0.109 31.531 31.700 -0.100 0.000 0.787 451 R N -0.561 119.876 120.500 -0.105 0.000 2.092 451 R HA -0.084 4.255 4.340 -0.000 0.000 0.231 451 R C 1.739 178.002 176.300 -0.062 0.000 1.119 451 R CA 1.884 57.950 56.100 -0.057 0.000 0.970 451 R CB -0.850 29.434 30.300 -0.026 0.000 0.864 451 R HN 0.105 nan 8.270 nan 0.000 0.440 452 T N 1.026 115.521 114.554 -0.098 0.000 2.833 452 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 452 T C 1.497 176.144 174.700 -0.088 0.000 1.054 452 T CA 1.340 63.400 62.100 -0.066 0.000 1.135 452 T CB 0.009 68.859 68.868 -0.030 0.000 0.869 452 T HN 0.368 nan 8.240 nan 0.000 0.466 453 K N 0.835 121.117 120.400 -0.197 0.000 2.167 453 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 453 K C 2.349 179.012 176.600 0.104 0.000 1.052 453 K CA 0.662 56.828 56.287 -0.201 0.000 0.956 453 K CB -0.006 32.267 32.500 -0.378 0.000 0.735 453 K HN 0.387 nan 8.250 nan 0.000 0.451 454 E N 0.930 121.154 120.200 0.040 0.000 2.047 454 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 454 E C 2.056 178.691 176.600 0.058 0.000 0.987 454 E CA 0.997 57.435 56.400 0.064 0.000 0.799 454 E CB -0.013 29.701 29.700 0.023 0.000 0.752 454 E HN 0.292 nan 8.360 nan 0.000 0.449 455 A N 1.015 123.846 122.820 0.018 0.000 1.933 455 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 455 A C 2.156 179.736 177.584 -0.006 0.000 1.175 455 A CA 1.017 53.050 52.037 -0.006 0.000 0.628 455 A CB -0.558 18.426 19.000 -0.027 0.000 0.814 455 A HN 0.187 nan 8.150 nan 0.000 0.444 456 L N -1.490 119.748 121.223 0.025 0.000 2.156 456 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 456 L C 2.480 179.447 176.870 0.162 0.000 1.095 456 L CA 1.225 56.093 54.840 0.046 0.000 0.770 456 L CB -0.433 41.711 42.059 0.141 0.000 0.914 456 L HN 0.178 nan 8.230 nan 0.000 0.439 457 K N 0.604 121.126 120.400 0.203 0.000 2.032 457 K HA -0.164 4.155 4.320 -0.000 0.000 0.209 457 K C 1.834 178.482 176.600 0.080 0.000 1.048 457 K CA 1.299 57.677 56.287 0.150 0.000 0.927 457 K CB -0.328 32.253 32.500 0.135 0.000 0.712 457 K HN 0.062 nan 8.250 nan 0.000 0.441 458 N N 0.176 118.908 118.700 0.054 0.000 2.571 458 N HA 0.005 4.745 4.740 -0.000 0.000 0.189 458 N C -0.405 175.109 175.510 0.006 0.000 1.154 458 N CA 0.248 53.312 53.050 0.024 0.000 0.907 458 N CB 0.016 38.508 38.487 0.009 0.000 0.977 458 N HN 0.086 nan 8.380 nan 0.000 0.449 459 L N 0.105 121.336 121.223 0.014 0.000 2.418 459 L HA 0.109 4.449 4.340 -0.000 0.000 0.265 459 L C 1.217 178.097 176.870 0.017 0.000 1.143 459 L CA -0.434 54.403 54.840 -0.005 0.000 0.809 459 L CB 0.718 42.777 42.059 -0.001 0.000 1.124 459 L HN -0.072 nan 8.230 nan 0.000 0.456 460 D N 0.801 121.199 120.400 -0.003 0.000 2.240 460 D HA 0.128 4.768 4.640 -0.000 0.000 0.206 460 D C -0.116 176.198 176.300 0.024 0.000 0.963 460 D CA 0.977 54.989 54.000 0.020 0.000 0.863 460 D CB 0.531 41.349 40.800 0.030 0.000 0.973 460 D HN 0.131 nan 8.370 nan 0.000 0.501 461 L N 0.080 121.309 121.223 0.010 0.000 2.464 461 L HA 0.376 4.716 4.340 -0.000 0.000 0.266 461 L C -2.098 174.782 176.870 0.017 0.000 0.965 461 L CA -0.975 53.865 54.840 -0.001 0.000 0.833 461 L CB 2.230 44.264 42.059 -0.042 0.000 1.296 461 L HN -0.147 nan 8.230 nan 0.000 0.405 462 Y N 5.663 125.881 120.300 -0.137 0.000 2.333 462 Y HA 0.719 5.269 4.550 -0.000 0.000 0.324 462 Y C -1.823 173.937 175.900 -0.233 0.000 1.033 462 Y CA -1.194 56.798 58.100 -0.179 0.000 1.224 462 Y CB 1.288 39.712 38.460 -0.060 0.000 1.120 462 Y HN 0.366 nan 8.280 nan 0.000 0.457 463 V N 4.942 124.464 119.914 -0.652 0.000 2.547 463 V HA 0.936 5.056 4.120 -0.000 0.000 0.299 463 V C -0.153 175.548 176.094 -0.655 0.000 1.040 463 V CA -0.432 61.395 62.300 -0.789 0.000 0.913 463 V CB 1.301 32.515 31.823 -1.014 0.000 0.992 463 V HN 0.946 nan 8.190 nan 0.000 0.449 464 A N 5.407 127.911 122.820 -0.526 0.000 2.359 464 A HA 0.862 5.182 4.320 -0.000 0.000 0.303 464 A C -0.872 176.606 177.584 -0.176 0.000 1.066 464 A CA -0.509 51.370 52.037 -0.263 0.000 0.730 464 A CB 0.932 19.760 19.000 -0.288 0.000 1.211 464 A HN 0.755 nan 8.150 nan 0.000 0.439 465 I N 2.596 123.121 120.570 -0.075 0.000 2.355 465 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 465 I C -0.559 175.483 176.117 -0.125 0.000 0.999 465 I CA -0.254 61.014 61.300 -0.055 0.000 1.163 465 I CB 1.313 39.317 38.000 0.007 0.000 1.316 465 I HN 0.675 nan 8.210 nan 0.000 0.454 466 D N 3.529 123.871 120.400 -0.095 0.000 2.838 466 D HA 0.385 5.025 4.640 -0.000 0.000 0.334 466 D C -0.118 176.148 176.300 -0.056 0.000 1.315 466 D CA -0.271 53.669 54.000 -0.100 0.000 0.917 466 D CB 2.815 43.556 40.800 -0.098 0.000 1.435 466 D HN 0.172 nan 8.370 nan 0.000 0.517 467 V N -0.010 119.876 119.914 -0.046 0.000 3.219 467 V HA 0.291 4.411 4.120 -0.000 0.000 0.240 467 V C 0.638 176.701 176.094 -0.051 0.000 1.222 467 V CA 0.248 62.531 62.300 -0.028 0.000 1.181 467 V CB 0.618 32.438 31.823 -0.006 0.000 0.941 467 V HN 0.303 nan 8.190 nan 0.000 0.471 468 L N 1.749 122.939 121.223 -0.056 0.000 2.352 468 L HA 0.475 4.815 4.340 -0.000 0.000 0.269 468 L C -2.411 174.403 176.870 -0.093 0.000 1.034 468 L CA -1.761 53.041 54.840 -0.065 0.000 0.806 468 L CB 1.319 43.349 42.059 -0.050 0.000 1.244 468 L HN -0.017 nan 8.230 nan 0.000 0.447 469 P HA 0.148 nan 4.420 nan 0.000 0.232 469 P C -0.899 176.369 177.300 -0.054 0.000 1.814 469 P CA -0.365 62.668 63.100 -0.111 0.000 1.085 469 P CB 0.501 32.135 31.700 -0.110 0.000 1.901 470 Q N 0.970 120.732 119.800 -0.063 0.000 2.526 470 Q HA 0.037 4.377 4.340 -0.000 0.000 0.207 470 Q C 1.321 177.377 176.000 0.093 0.000 1.078 470 Q CA -0.068 55.765 55.803 0.050 0.000 1.041 470 Q CB 0.975 29.759 28.738 0.077 0.000 1.228 470 Q HN 0.435 nan 8.270 nan 0.000 0.603 471 E N 0.294 120.664 120.200 0.284 0.000 2.208 471 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 471 E C 1.377 178.141 176.600 0.273 0.000 0.988 471 E CA 1.152 57.793 56.400 0.402 0.000 0.828 471 E CB 0.110 30.183 29.700 0.622 0.000 0.763 471 E HN 0.659 nan 8.360 nan 0.000 0.478 472 H N -2.593 116.352 119.070 -0.209 0.000 2.575 472 H HA 0.179 4.735 4.556 -0.000 0.000 0.267 472 H C 1.526 176.784 175.328 -0.117 0.000 0.966 472 H CA 0.290 55.864 56.048 -0.790 0.000 1.165 472 H CB 0.331 29.272 29.762 -1.368 0.000 1.433 472 H HN -0.053 nan 8.280 nan 0.000 0.544 473 V N 0.686 120.131 119.914 -0.781 0.000 2.649 473 V HA -0.064 4.056 4.120 -0.000 0.000 0.248 473 V C 1.420 177.411 176.094 -0.172 0.000 1.054 473 V CA 0.923 62.908 62.300 -0.524 0.000 1.073 473 V CB -0.153 31.379 31.823 -0.485 0.000 0.699 473 V HN 0.471 nan 8.190 nan 0.000 0.463 474 M N -1.567 118.041 119.600 0.014 0.000 2.654 474 M HA 0.094 4.574 4.480 -0.000 0.000 0.217 474 M C 0.653 177.238 176.300 0.475 0.000 1.183 474 M CA 0.288 55.690 55.300 0.169 0.000 0.991 474 M CB -1.249 31.453 32.600 0.171 0.000 1.749 474 M HN 0.466 nan 8.290 nan 0.000 0.475 475 W N 0.357 121.788 121.300 0.218 0.000 2.870 475 W HA 0.496 5.156 4.660 -0.000 0.000 0.358 475 W C 0.656 177.397 176.519 0.371 0.000 1.043 475 W CA -0.581 56.969 57.345 0.341 0.000 1.692 475 W CB 0.325 30.048 29.460 0.439 0.000 1.100 475 W HN 0.102 nan 8.180 nan 0.000 0.557 476 A N 0.663 123.668 122.820 0.308 0.000 2.293 476 A HA 0.439 4.759 4.320 -0.000 0.000 0.302 476 A C -0.212 177.383 177.584 0.018 0.000 1.119 476 A CA -0.359 51.566 52.037 -0.187 0.000 0.823 476 A CB 0.399 18.977 19.000 -0.704 0.000 1.097 476 A HN 0.020 nan 8.150 nan 0.000 0.491 477 D N 1.541 121.891 120.400 -0.083 0.000 2.313 477 D HA 0.412 5.052 4.640 -0.000 0.000 0.239 477 D C -0.211 176.028 176.300 -0.102 0.000 1.142 477 D CA 0.342 54.327 54.000 -0.026 0.000 0.847 477 D CB 0.939 41.753 40.800 0.023 0.000 1.082 477 D HN 0.592 nan 8.370 nan 0.000 0.480 478 V N 1.867 121.741 119.914 -0.068 0.000 3.419 478 V HA -0.247 3.873 4.120 -0.000 0.000 0.488 478 V C -0.188 175.759 176.094 -0.245 0.000 0.682 478 V CA 0.132 62.339 62.300 -0.154 0.000 2.031 478 V CB -1.447 30.291 31.823 -0.141 0.000 2.473 478 V HN 0.556 nan 8.190 nan 0.000 0.503 479 I N 5.616 126.024 120.570 -0.270 0.000 2.406 479 I HA 0.656 4.826 4.170 -0.000 0.000 0.290 479 I C -0.094 175.849 176.117 -0.290 0.000 0.999 479 I CA -0.542 60.566 61.300 -0.321 0.000 1.124 479 I CB 1.782 39.524 38.000 -0.429 0.000 1.289 479 I HN 0.476 nan 8.210 nan 0.000 0.441 480 L N 8.240 129.340 121.223 -0.205 0.000 2.325 480 L HA 0.497 4.837 4.340 -0.000 0.000 0.281 480 L C -2.441 174.425 176.870 -0.006 0.000 1.004 480 L CA -1.860 52.885 54.840 -0.160 0.000 0.823 480 L CB 1.680 43.793 42.059 0.090 0.000 1.236 480 L HN 0.293 nan 8.230 nan 0.000 0.415 481 P HA 0.146 nan 4.420 nan 0.000 0.280 481 P C -0.587 176.872 177.300 0.264 0.000 1.300 481 P CA -0.159 62.999 63.100 0.097 0.000 0.785 481 P CB 1.115 32.840 31.700 0.040 0.000 0.874 482 E N 2.489 122.793 120.200 0.173 0.000 2.349 482 E HA 0.447 4.797 4.350 -0.000 0.000 0.262 482 E C -0.211 176.466 176.600 0.129 0.000 1.088 482 E CA -0.744 55.764 56.400 0.181 0.000 0.899 482 E CB 1.002 30.807 29.700 0.176 0.000 1.044 482 E HN 0.460 nan 8.360 nan 0.000 0.420 483 A N 2.293 125.169 122.820 0.094 0.000 2.316 483 A HA 0.264 4.584 4.320 -0.000 0.000 0.284 483 A C 0.167 177.791 177.584 0.067 0.000 1.115 483 A CA -0.318 51.749 52.037 0.049 0.000 0.812 483 A CB 1.286 20.278 19.000 -0.014 0.000 1.064 483 A HN 0.583 nan 8.150 nan 0.000 0.489 484 T N 0.280 114.844 114.554 0.017 0.000 2.868 484 T HA 0.288 4.638 4.350 -0.000 0.000 0.292 484 T C 1.273 175.985 174.700 0.019 0.000 1.028 484 T CA 0.612 62.728 62.100 0.028 0.000 1.059 484 T CB 0.040 68.865 68.868 -0.071 0.000 0.991 484 T HN 0.655 nan 8.240 nan 0.000 0.531 485 Y N 2.283 122.574 120.300 -0.015 0.000 2.365 485 Y HA -0.064 4.486 4.550 -0.000 0.000 0.287 485 Y C 1.543 177.406 175.900 -0.062 0.000 1.162 485 Y CA 1.222 59.324 58.100 0.004 0.000 1.260 485 Y CB -0.630 37.849 38.460 0.032 0.000 0.976 485 Y HN 0.464 nan 8.280 nan 0.000 0.548 486 L N 0.406 121.179 121.223 -0.751 0.000 2.446 486 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 486 L C 1.177 177.720 176.870 -0.546 0.000 1.116 486 L CA 0.670 55.087 54.840 -0.705 0.000 0.844 486 L CB -0.143 41.426 42.059 -0.815 0.000 0.970 486 L HN 0.263 nan 8.230 nan 0.000 0.457 487 E N 0.016 119.949 120.200 -0.446 0.000 2.499 487 E HA 0.156 4.505 4.350 -0.000 0.000 0.199 487 E C 0.273 176.764 176.600 -0.181 0.000 1.016 487 E CA -0.158 56.005 56.400 -0.394 0.000 0.933 487 E CB 0.620 30.140 29.700 -0.299 0.000 1.050 487 E HN 0.143 nan 8.360 nan 0.000 0.462 488 R N 0.478 120.902 120.500 -0.128 0.000 2.771 488 R HA 0.326 4.666 4.340 -0.000 0.000 0.274 488 R C -1.686 174.648 176.300 0.058 0.000 0.987 488 R CA -0.524 55.599 56.100 0.037 0.000 0.908 488 R CB 1.348 31.718 30.300 0.116 0.000 1.213 488 R HN -0.003 nan 8.270 nan 0.000 0.468 489 Y N 0.750 121.176 120.300 0.211 0.000 2.419 489 Y HA 0.362 4.912 4.550 -0.000 0.000 0.328 489 Y C 0.086 176.102 175.900 0.192 0.000 1.162 489 Y CA -0.076 58.094 58.100 0.116 0.000 1.174 489 Y CB 1.828 40.295 38.460 0.012 0.000 1.228 489 Y HN 0.501 nan 8.280 nan 0.000 0.473 490 D N 0.689 121.264 120.400 0.290 0.000 2.581 490 D HA 0.087 4.726 4.640 -0.000 0.000 0.232 490 D C -1.483 174.845 176.300 0.047 0.000 1.143 490 D CA -0.575 53.584 54.000 0.264 0.000 0.881 490 D CB 2.056 43.016 40.800 0.266 0.000 1.500 490 D HN 0.499 nan 8.370 nan 0.000 0.458 491 D N 0.243 120.701 120.400 0.097 0.000 2.419 491 D HA 0.011 4.651 4.640 -0.000 0.000 0.236 491 D C -0.029 176.215 176.300 -0.093 0.000 1.165 491 D CA 0.220 54.196 54.000 -0.041 0.000 0.882 491 D CB 0.334 41.071 40.800 -0.106 0.000 1.201 491 D HN 0.063 nan 8.370 nan 0.000 0.443 492 F N 0.694 120.623 119.950 -0.035 0.000 2.586 492 F HA 0.094 4.621 4.527 -0.000 0.000 0.344 492 F C 0.897 176.643 175.800 -0.090 0.000 1.188 492 F CA -0.232 57.740 58.000 -0.047 0.000 1.359 492 F CB 0.199 39.151 39.000 -0.080 0.000 1.129 492 F HN -0.052 nan 8.300 nan 0.000 0.609 493 V N 4.050 124.056 119.914 0.153 0.000 2.334 493 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 493 V C -0.169 175.891 176.094 -0.056 0.000 1.016 493 V CA -0.694 61.620 62.300 0.024 0.000 0.832 493 V CB 1.011 32.855 31.823 0.035 0.000 0.999 493 V HN 0.449 nan 8.190 nan 0.000 0.439 494 L N 5.780 126.926 121.223 -0.128 0.000 2.289 494 L HA 0.661 5.001 4.340 -0.000 0.000 0.285 494 L C -0.575 176.100 176.870 -0.327 0.000 1.049 494 L CA -0.739 53.968 54.840 -0.221 0.000 0.804 494 L CB 1.715 43.666 42.059 -0.179 0.000 1.195 494 L HN 0.302 nan 8.230 nan 0.000 0.428 495 V N 2.437 122.005 119.914 -0.575 0.000 2.407 495 V HA 0.458 4.578 4.120 -0.000 0.000 0.291 495 V C 0.473 176.287 176.094 -0.468 0.000 1.018 495 V CA -0.715 61.191 62.300 -0.656 0.000 0.842 495 V CB 1.563 32.645 31.823 -1.235 0.000 0.996 495 V HN 0.889 nan 8.190 nan 0.000 0.426 496 A N 4.503 127.197 122.820 -0.210 0.000 2.488 496 A HA 0.595 4.915 4.320 -0.000 0.000 0.249 496 A C -0.063 177.537 177.584 0.028 0.000 1.083 496 A CA 0.380 52.376 52.037 -0.068 0.000 0.768 496 A CB 0.039 19.031 19.000 -0.013 0.000 1.017 496 A HN 1.015 nan 8.150 nan 0.000 0.496 497 H N 0.786 119.807 119.070 -0.082 0.000 2.917 497 H HA 0.190 4.746 4.556 -0.000 0.000 0.299 497 H C 0.584 175.799 175.328 -0.189 0.000 1.418 497 H CA -0.264 55.741 56.048 -0.072 0.000 1.138 497 H CB 1.044 30.744 29.762 -0.103 0.000 1.830 497 H HN 0.688 nan 8.280 nan 0.000 0.514 498 K N 0.010 119.791 120.400 -1.032 0.000 2.034 498 K HA -0.115 4.205 4.320 -0.000 0.000 0.214 498 K C 0.412 176.834 176.600 -0.298 0.000 1.051 498 K CA 2.274 57.960 56.287 -1.003 0.000 0.931 498 K CB -0.284 31.409 32.500 -1.345 0.000 0.715 498 K HN 0.556 nan 8.250 nan 0.000 0.446 499 T N 0.420 115.033 114.554 0.097 0.000 3.060 499 T HA 0.378 4.728 4.350 -0.000 0.000 0.367 499 T C -2.784 172.049 174.700 0.221 0.000 1.229 499 T CA -2.424 59.738 62.100 0.104 0.000 1.104 499 T CB 1.434 70.337 68.868 0.058 0.000 1.083 499 T HN -0.098 nan 8.240 nan 0.000 0.524 500 P HA 0.236 nan 4.420 nan 0.000 0.264 500 P C -0.594 176.779 177.300 0.120 0.000 1.179 500 P CA -0.019 63.115 63.100 0.057 0.000 0.763 500 P CB 0.038 31.735 31.700 -0.004 0.000 0.806 501 F N 0.232 120.108 119.950 -0.124 0.000 2.685 501 F HA 0.767 5.294 4.527 -0.000 0.000 0.315 501 F C -1.214 174.523 175.800 -0.106 0.000 1.126 501 F CA -1.461 56.460 58.000 -0.131 0.000 0.950 501 F CB 1.133 40.022 39.000 -0.185 0.000 1.360 501 F HN 0.008 nan 8.300 nan 0.000 0.469 502 I N 1.772 122.405 120.570 0.106 0.000 2.498 502 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 502 I C -1.097 175.130 176.117 0.183 0.000 1.032 502 I CA -0.702 60.621 61.300 0.038 0.000 1.073 502 I CB 2.168 40.135 38.000 -0.055 0.000 1.251 502 I HN 0.643 nan 8.210 nan 0.000 0.426 503 Q N 5.714 125.634 119.800 0.201 0.000 2.348 503 Q HA 0.665 5.005 4.340 -0.000 0.000 0.271 503 Q C -1.319 174.840 176.000 0.264 0.000 1.067 503 Q CA -0.963 54.980 55.803 0.233 0.000 0.839 503 Q CB 3.318 32.180 28.738 0.207 0.000 1.354 503 Q HN 0.422 nan 8.270 nan 0.000 0.447 504 L N 2.334 123.685 121.223 0.214 0.000 2.410 504 L HA 0.572 4.912 4.340 -0.000 0.000 0.270 504 L C -1.306 175.637 176.870 0.123 0.000 0.983 504 L CA -0.587 54.318 54.840 0.109 0.000 0.822 504 L CB 1.967 44.109 42.059 0.137 0.000 1.285 504 L HN 0.793 nan 8.230 nan 0.000 0.409 505 R N 2.440 122.990 120.500 0.084 0.000 2.445 505 R HA 0.724 5.064 4.340 -0.000 0.000 0.308 505 R C -1.223 175.093 176.300 0.027 0.000 0.961 505 R CA -0.479 55.679 56.100 0.097 0.000 0.862 505 R CB 1.788 32.165 30.300 0.129 0.000 1.144 505 R HN 0.526 nan 8.270 nan 0.000 0.447 506 T N 4.705 119.207 114.554 -0.086 0.000 2.885 506 T HA 0.437 4.787 4.350 -0.000 0.000 0.285 506 T C -2.559 171.887 174.700 -0.423 0.000 1.019 506 T CA -1.802 60.062 62.100 -0.394 0.000 1.010 506 T CB 1.902 70.672 68.868 -0.162 0.000 1.022 506 T HN 0.493 nan 8.240 nan 0.000 0.466 507 P HA 0.196 nan 4.420 nan 0.000 0.267 507 P C -0.141 176.996 177.300 -0.271 0.000 1.200 507 P CA -0.046 62.821 63.100 -0.388 0.000 0.772 507 P CB 0.493 31.985 31.700 -0.346 0.000 0.855 508 A N 2.446 125.104 122.820 -0.270 0.000 2.147 508 A HA 0.105 4.425 4.320 -0.000 0.000 0.211 508 A C 0.690 178.251 177.584 -0.039 0.000 1.160 508 A CA 0.943 52.884 52.037 -0.160 0.000 0.781 508 A CB -0.561 18.338 19.000 -0.168 0.000 0.842 508 A HN 0.801 nan 8.150 nan 0.000 0.475 509 H N -1.770 117.245 119.070 -0.092 0.000 2.921 509 H HA 0.299 4.855 4.556 -0.000 0.000 0.287 509 H C -1.621 173.668 175.328 -0.064 0.000 1.434 509 H CA -0.512 55.500 56.048 -0.059 0.000 1.178 509 H CB -0.023 29.719 29.762 -0.033 0.000 1.836 509 H HN 0.177 nan 8.280 nan 0.000 0.495 510 E N 1.421 121.730 120.200 0.181 0.000 2.366 510 E HA 0.328 4.678 4.350 -0.000 0.000 0.266 510 E C -2.633 174.045 176.600 0.129 0.000 1.051 510 E CA -1.739 54.711 56.400 0.083 0.000 0.884 510 E CB 0.217 29.942 29.700 0.042 0.000 1.006 510 E HN 0.261 nan 8.360 nan 0.000 0.417 511 P HA -0.122 nan 4.420 nan 0.000 0.268 511 P C -0.991 176.323 177.300 0.023 0.000 1.189 511 P CA 0.222 63.323 63.100 0.002 0.000 0.771 511 P CB 0.299 31.963 31.700 -0.060 0.000 0.822 512 L N 3.260 124.501 121.223 0.030 0.000 2.334 512 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 512 L C 0.770 177.605 176.870 -0.058 0.000 1.020 512 L CA -0.319 54.412 54.840 -0.182 0.000 0.812 512 L CB -0.488 41.379 42.059 -0.320 0.000 1.264 512 L HN 0.536 nan 8.230 nan 0.000 0.439 513 F N -0.676 119.307 119.950 0.055 0.000 2.183 513 F HA -0.357 4.170 4.527 -0.000 0.000 0.318 513 F C 0.785 176.615 175.800 0.051 0.000 0.958 513 F CA 1.111 59.132 58.000 0.036 0.000 0.912 513 F CB -0.782 38.242 39.000 0.040 0.000 4.135 513 F HN 0.532 nan 8.300 nan 0.000 0.137 514 D N 0.714 121.318 120.400 0.341 0.000 3.123 514 D HA 0.286 4.926 4.640 -0.000 0.000 0.305 514 D C -0.655 175.889 176.300 0.408 0.000 1.373 514 D CA 0.347 54.523 54.000 0.293 0.000 0.889 514 D CB 0.169 41.102 40.800 0.221 0.000 1.070 514 D HN 0.371 nan 8.370 nan 0.000 0.494 515 T N 1.086 115.800 114.554 0.266 0.000 2.875 515 T HA 0.387 4.737 4.350 -0.000 0.000 0.284 515 T C -0.133 174.546 174.700 -0.035 0.000 0.995 515 T CA -0.478 61.755 62.100 0.223 0.000 1.060 515 T CB 1.221 70.205 68.868 0.194 0.000 0.967 515 T HN -0.097 nan 8.240 nan 0.000 0.476 516 K N 3.597 123.929 120.400 -0.114 0.000 2.371 516 K HA 0.467 4.787 4.320 -0.000 0.000 0.251 516 K C -2.716 173.697 176.600 -0.311 0.000 0.934 516 K CA -2.325 53.618 56.287 -0.574 0.000 0.798 516 K CB 2.167 33.847 32.500 -1.367 0.000 1.204 516 K HN 0.309 nan 8.250 nan 0.000 0.427 517 P HA 0.033 nan 4.420 nan 0.000 0.274 517 P C 0.663 177.841 177.300 -0.204 0.000 1.237 517 P CA -0.055 62.895 63.100 -0.251 0.000 0.793 517 P CB 0.602 32.075 31.700 -0.379 0.000 0.977 518 G N 1.537 110.396 108.800 0.098 0.000 2.422 518 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 518 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 518 G C 1.346 176.256 174.900 0.016 0.000 1.140 518 G CA 0.037 45.316 45.100 0.298 0.000 0.775 518 G HN 0.722 nan 8.290 nan 0.000 0.545 519 W N -0.419 120.770 121.300 -0.186 0.000 2.363 519 W HA -0.045 4.615 4.660 -0.000 0.000 0.296 519 W C 2.019 178.300 176.519 -0.396 0.000 1.212 519 W CA 0.568 57.440 57.345 -0.789 0.000 1.260 519 W CB -0.963 28.160 29.460 -0.562 0.000 1.131 519 W HN 0.262 nan 8.180 nan 0.000 0.530 520 W N 2.011 122.577 121.300 -1.223 0.000 2.381 520 W HA -0.065 4.595 4.660 -0.000 0.000 0.301 520 W C 2.405 178.549 176.519 -0.626 0.000 1.205 520 W CA 2.292 58.911 57.345 -1.209 0.000 1.285 520 W CB -0.632 27.818 29.460 -1.684 0.000 1.133 520 W HN -0.256 nan 8.180 nan 0.000 0.521 521 I N 0.545 121.033 120.570 -0.137 0.000 2.226 521 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 521 I C 2.605 178.646 176.117 -0.127 0.000 1.100 521 I CA 1.410 62.716 61.300 0.010 0.000 1.374 521 I CB -0.943 37.271 38.000 0.357 0.000 1.057 521 I HN 0.079 nan 8.210 nan 0.000 0.413 522 A N 0.774 123.458 122.820 -0.227 0.000 1.858 522 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 522 A C 2.422 179.446 177.584 -0.934 0.000 1.190 522 A CA 1.845 53.561 52.037 -0.536 0.000 0.617 522 A CB -0.695 17.932 19.000 -0.622 0.000 0.827 522 A HN 0.325 nan 8.150 nan 0.000 0.443 523 R N -0.493 119.364 120.500 -1.073 0.000 2.103 523 R HA -0.173 4.167 4.340 -0.000 0.000 0.242 523 R C 1.900 177.589 176.300 -1.019 0.000 1.142 523 R CA 1.759 56.998 56.100 -1.436 0.000 0.960 523 R CB -0.226 29.582 30.300 -0.820 0.000 0.858 523 R HN 0.466 nan 8.270 nan 0.000 0.439 524 E N 0.423 120.080 120.200 -0.906 0.000 2.204 524 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 524 E C 1.985 178.315 176.600 -0.450 0.000 0.990 524 E CA 0.964 56.903 56.400 -0.768 0.000 0.821 524 E CB -0.015 29.032 29.700 -1.089 0.000 0.750 524 E HN 0.453 nan 8.360 nan 0.000 0.477 525 L N -0.488 120.500 121.223 -0.391 0.000 2.202 525 L HA 0.056 4.396 4.340 -0.000 0.000 0.205 525 L C 2.411 179.146 176.870 -0.225 0.000 1.083 525 L CA 0.816 55.542 54.840 -0.189 0.000 0.790 525 L CB -0.384 41.640 42.059 -0.060 0.000 0.942 525 L HN 0.129 nan 8.230 nan 0.000 0.452 526 G N 0.135 108.651 108.800 -0.474 0.000 2.432 526 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 526 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 526 G C 1.575 176.399 174.900 -0.127 0.000 1.135 526 G CA 0.466 45.353 45.100 -0.355 0.000 0.767 526 G HN 0.196 nan 8.290 nan 0.000 0.550 527 L N -0.638 120.440 121.223 -0.242 0.000 2.109 527 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 527 L C 2.991 179.828 176.870 -0.055 0.000 1.086 527 L CA 0.661 55.429 54.840 -0.119 0.000 0.760 527 L CB -0.327 41.621 42.059 -0.184 0.000 0.910 527 L HN 0.126 nan 8.230 nan 0.000 0.437 528 R N 0.227 120.685 120.500 -0.070 0.000 2.285 528 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 528 R C 1.045 177.383 176.300 0.062 0.000 1.068 528 R CA 0.747 56.843 56.100 -0.006 0.000 1.004 528 R CB 0.008 30.302 30.300 -0.010 0.000 0.873 528 R HN 0.353 nan 8.270 nan 0.000 0.467 529 L N -1.579 119.706 121.223 0.104 0.000 3.066 529 L HA 0.430 4.770 4.340 -0.000 0.000 0.265 529 L C 0.667 177.651 176.870 0.189 0.000 1.232 529 L CA -0.157 54.814 54.840 0.218 0.000 1.031 529 L CB 1.022 43.317 42.059 0.394 0.000 1.379 529 L HN 0.162 nan 8.230 nan 0.000 0.563 530 G N 1.272 110.144 108.800 0.120 0.000 2.147 530 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 530 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 530 G C 0.241 175.223 174.900 0.136 0.000 1.005 530 G CA 0.269 45.427 45.100 0.096 0.000 0.713 530 G HN 0.374 nan 8.290 nan 0.000 0.515 531 L N 0.299 121.640 121.223 0.198 0.000 3.062 531 L HA 0.288 4.628 4.340 -0.000 0.000 0.255 531 L C 1.970 179.038 176.870 0.330 0.000 1.274 531 L CA -0.134 54.907 54.840 0.336 0.000 1.047 531 L CB -0.009 42.331 42.059 0.467 0.000 1.402 531 L HN 0.228 nan 8.230 nan 0.000 0.550 532 E N 1.157 121.450 120.200 0.155 0.000 2.118 532 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 532 E C 1.764 178.383 176.600 0.032 0.000 0.992 532 E CA 1.419 57.871 56.400 0.088 0.000 0.804 532 E CB -0.240 29.474 29.700 0.024 0.000 0.741 532 E HN 0.734 nan 8.360 nan 0.000 0.458 533 Q N 0.931 120.688 119.800 -0.072 0.000 2.170 533 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 533 Q C 0.197 176.061 176.000 -0.227 0.000 0.976 533 Q CA 0.965 56.644 55.803 -0.206 0.000 0.858 533 Q CB -0.630 27.876 28.738 -0.387 0.000 0.907 533 Q HN 0.385 nan 8.270 nan 0.000 0.433 534 Y N -0.352 119.970 120.300 0.037 0.000 2.313 534 Y HA 0.327 4.877 4.550 -0.000 0.000 0.332 534 Y C -0.248 175.547 175.900 -0.175 0.000 1.071 534 Y CA -0.741 57.315 58.100 -0.073 0.000 1.169 534 Y CB 0.690 39.025 38.460 -0.208 0.000 1.192 534 Y HN 0.045 nan 8.280 nan 0.000 0.487 535 F N 0.045 120.075 119.950 0.133 0.000 2.482 535 F HA -0.239 4.288 4.527 -0.000 0.000 0.321 535 F C -1.551 173.790 175.800 -0.765 0.000 0.626 535 F CA -0.114 57.548 58.000 -0.564 0.000 1.642 535 F CB -1.511 37.236 39.000 -0.421 0.000 2.098 535 F HN 0.386 nan 8.300 nan 0.000 0.295 536 P HA -0.211 nan 4.420 nan 0.000 0.214 536 P C 0.898 178.133 177.300 -0.110 0.000 1.163 536 P CA 2.211 65.260 63.100 -0.086 0.000 0.889 536 P CB -0.338 31.430 31.700 0.113 0.000 0.790 537 W N 0.774 122.147 121.300 0.123 0.000 2.480 537 W HA 0.011 4.671 4.660 -0.000 0.000 0.337 537 W C 0.597 177.158 176.519 0.070 0.000 1.201 537 W CA -0.460 56.945 57.345 0.100 0.000 1.309 537 W CB -0.464 29.001 29.460 0.008 0.000 1.168 537 W HN -0.018 nan 8.180 nan 0.000 0.566 538 K N 0.838 121.391 120.400 0.256 0.000 2.444 538 K HA 0.100 4.420 4.320 -0.000 0.000 0.193 538 K C 0.137 176.897 176.600 0.267 0.000 1.024 538 K CA 0.647 57.033 56.287 0.165 0.000 1.077 538 K CB 0.276 32.857 32.500 0.135 0.000 0.833 538 K HN 0.458 nan 8.250 nan 0.000 0.517 539 T N -1.340 113.445 114.554 0.385 0.000 2.886 539 T HA 0.157 4.507 4.350 -0.000 0.000 0.330 539 T C 0.305 174.914 174.700 -0.151 0.000 1.488 539 T CA -0.718 61.477 62.100 0.159 0.000 1.054 539 T CB 0.746 69.677 68.868 0.104 0.000 1.348 539 T HN -0.023 nan 8.240 nan 0.000 0.489 540 I N 1.363 121.367 120.570 -0.944 0.000 2.361 540 I HA -0.027 4.143 4.170 -0.000 0.000 0.251 540 I C 2.224 177.907 176.117 -0.724 0.000 1.133 540 I CA 1.206 61.778 61.300 -1.213 0.000 1.413 540 I CB -0.576 36.329 38.000 -1.826 0.000 1.073 540 I HN 0.691 nan 8.210 nan 0.000 0.424 541 E N 1.504 121.362 120.200 -0.570 0.000 2.274 541 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 541 E C 1.744 178.226 176.600 -0.197 0.000 0.996 541 E CA 0.915 57.054 56.400 -0.434 0.000 0.840 541 E CB -0.522 28.978 29.700 -0.332 0.000 0.772 541 E HN 0.713 nan 8.360 nan 0.000 0.491 542 E N 0.423 120.555 120.200 -0.115 0.000 2.047 542 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 542 E C 1.876 178.506 176.600 0.050 0.000 0.987 542 E CA 0.808 57.226 56.400 0.030 0.000 0.799 542 E CB -0.173 29.617 29.700 0.151 0.000 0.752 542 E HN 0.324 nan 8.360 nan 0.000 0.449 543 Y N 1.182 121.318 120.300 -0.273 0.000 2.145 543 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 543 Y C 2.023 177.824 175.900 -0.165 0.000 1.145 543 Y CA 1.528 59.356 58.100 -0.454 0.000 1.148 543 Y CB -0.103 37.556 38.460 -1.335 0.000 0.981 543 Y HN -0.018 nan 8.280 nan 0.000 0.507 544 L N -0.135 121.060 121.223 -0.048 0.000 2.217 544 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 544 L C 2.274 179.193 176.870 0.081 0.000 1.107 544 L CA 0.980 55.871 54.840 0.086 0.000 0.783 544 L CB -0.492 41.483 42.059 -0.140 0.000 0.919 544 L HN 0.224 nan 8.230 nan 0.000 0.442 545 E N -0.221 119.973 120.200 -0.009 0.000 2.152 545 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 545 E C 2.161 178.733 176.600 -0.047 0.000 0.983 545 E CA 1.373 57.768 56.400 -0.010 0.000 0.818 545 E CB -0.168 29.526 29.700 -0.010 0.000 0.758 545 E HN 0.418 nan 8.360 nan 0.000 0.467 546 T N 1.416 115.925 114.554 -0.075 0.000 2.708 546 T HA -0.119 4.230 4.350 -0.000 0.000 0.266 546 T C 1.867 176.443 174.700 -0.207 0.000 1.037 546 T CA 1.115 63.117 62.100 -0.163 0.000 1.146 546 T CB -0.059 68.648 68.868 -0.268 0.000 0.865 546 T HN 0.182 nan 8.240 nan 0.000 0.435 547 R N 0.675 121.038 120.500 -0.229 0.000 2.148 547 R HA 0.146 4.486 4.340 -0.000 0.000 0.223 547 R C 2.308 178.419 176.300 -0.315 0.000 1.088 547 R CA 0.766 56.675 56.100 -0.319 0.000 0.985 547 R CB -0.397 29.663 30.300 -0.400 0.000 0.880 547 R HN 0.365 nan 8.270 nan 0.000 0.451 548 L N 0.531 121.633 121.223 -0.203 0.000 2.240 548 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 548 L C 2.409 179.213 176.870 -0.111 0.000 1.106 548 L CA 0.892 55.640 54.840 -0.155 0.000 0.793 548 L CB -0.284 41.757 42.059 -0.031 0.000 0.927 548 L HN 0.216 nan 8.230 nan 0.000 0.446 549 Q N -0.168 119.571 119.800 -0.102 0.000 2.002 549 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 549 Q C 2.481 178.434 176.000 -0.079 0.000 0.988 549 Q CA 2.360 58.117 55.803 -0.078 0.000 0.843 549 Q CB -0.155 28.531 28.738 -0.086 0.000 0.908 549 Q HN 0.446 nan 8.270 nan 0.000 0.420 550 S N 0.197 115.831 115.700 -0.110 0.000 2.372 550 S HA -0.204 4.266 4.470 -0.000 0.000 0.227 550 S C 1.780 176.359 174.600 -0.035 0.000 1.044 550 S CA 1.417 59.570 58.200 -0.079 0.000 1.050 550 S CB -0.363 62.742 63.200 -0.158 0.000 0.901 550 S HN 0.422 nan 8.310 nan 0.000 0.447 551 L N 0.330 121.494 121.223 -0.097 0.000 2.492 551 L HA 0.272 4.612 4.340 -0.000 0.000 0.223 551 L C 1.817 178.671 176.870 -0.025 0.000 1.132 551 L CA 0.510 55.320 54.840 -0.049 0.000 0.850 551 L CB -0.326 41.658 42.059 -0.124 0.000 0.966 551 L HN 0.703 nan 8.230 nan 0.000 0.454 552 G N 0.147 108.926 108.800 -0.035 0.000 2.145 552 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.145 552 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.145 552 G C -0.266 174.622 174.900 -0.020 0.000 1.017 552 G CA -0.099 44.988 45.100 -0.021 0.000 0.682 552 G HN 0.210 nan 8.290 nan 0.000 0.504 553 L N -1.395 119.810 121.223 -0.030 0.000 2.510 553 L HA 0.929 5.269 4.340 -0.000 0.000 0.252 553 L C -0.745 176.119 176.870 -0.010 0.000 1.091 553 L CA -1.300 53.533 54.840 -0.013 0.000 0.888 553 L CB 1.237 43.293 42.059 -0.004 0.000 1.507 553 L HN 0.091 nan 8.230 nan 0.000 0.407 554 D N -0.894 119.514 120.400 0.014 0.000 2.585 554 D HA 0.330 4.970 4.640 -0.000 0.000 0.254 554 D C 0.591 176.924 176.300 0.055 0.000 1.067 554 D CA -0.756 53.258 54.000 0.024 0.000 1.090 554 D CB 1.688 42.500 40.800 0.020 0.000 1.408 554 D HN 0.525 nan 8.370 nan 0.000 0.554 555 L N -0.151 121.106 121.223 0.056 0.000 2.012 555 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 555 L C 2.149 179.075 176.870 0.094 0.000 1.073 555 L CA 1.557 56.443 54.840 0.077 0.000 0.748 555 L CB -0.178 41.901 42.059 0.033 0.000 0.891 555 L HN 0.409 nan 8.230 nan 0.000 0.431 556 E N -0.580 119.665 120.200 0.075 0.000 2.118 556 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 556 E C 2.006 178.657 176.600 0.084 0.000 0.992 556 E CA 1.817 58.266 56.400 0.080 0.000 0.804 556 E CB -0.315 29.422 29.700 0.061 0.000 0.741 556 E HN 0.529 nan 8.360 nan 0.000 0.458 557 T N 1.106 115.704 114.554 0.073 0.000 2.942 557 T HA -0.064 4.286 4.350 -0.000 0.000 0.265 557 T C 1.753 176.506 174.700 0.087 0.000 1.062 557 T CA 0.651 62.793 62.100 0.070 0.000 1.139 557 T CB -0.036 68.861 68.868 0.048 0.000 0.883 557 T HN -0.005 nan 8.240 nan 0.000 0.468 558 M N 1.749 121.413 119.600 0.107 0.000 2.159 558 M HA 0.022 4.502 4.480 -0.000 0.000 0.263 558 M C 1.867 178.258 176.300 0.152 0.000 1.063 558 M CA 1.432 56.815 55.300 0.139 0.000 1.110 558 M CB -0.689 32.043 32.600 0.220 0.000 1.374 558 M HN 0.134 nan 8.290 nan 0.000 0.411 559 K N -1.116 119.383 120.400 0.165 0.000 2.147 559 K HA -0.063 4.256 4.320 -0.000 0.000 0.205 559 K C 1.939 178.696 176.600 0.263 0.000 1.049 559 K CA 1.282 57.691 56.287 0.203 0.000 0.936 559 K CB -0.558 32.039 32.500 0.161 0.000 0.722 559 K HN 0.489 nan 8.250 nan 0.000 0.446 560 G N 1.989 110.899 108.800 0.183 0.000 2.418 560 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 560 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 560 G C 1.029 176.063 174.900 0.222 0.000 1.158 560 G CA 0.770 45.985 45.100 0.192 0.000 0.771 560 G HN 0.311 nan 8.290 nan 0.000 0.545 561 M N 0.384 120.018 119.600 0.056 0.000 3.109 561 M HA 0.581 5.060 4.480 -0.000 0.000 0.274 561 M C 1.459 177.589 176.300 -0.284 0.000 1.171 561 M CA -0.255 54.975 55.300 -0.116 0.000 0.856 561 M CB 0.947 33.532 32.600 -0.024 0.000 1.335 561 M HN 0.010 nan 8.290 nan 0.000 0.531 562 G N 1.113 109.510 108.800 -0.673 0.000 3.404 562 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 562 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 562 G C 0.500 175.385 174.900 -0.024 0.000 1.060 562 G CA 1.897 46.729 45.100 -0.445 0.000 0.752 562 G HN 0.557 nan 8.290 nan 0.000 0.717 563 T N -0.523 114.020 114.554 -0.019 0.000 2.912 563 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 563 T C -0.788 173.929 174.700 0.029 0.000 1.030 563 T CA -0.535 61.597 62.100 0.054 0.000 1.020 563 T CB 2.612 71.450 68.868 -0.049 0.000 1.056 563 T HN 0.358 nan 8.240 nan 0.000 0.480 564 L N 2.636 123.905 121.223 0.077 0.000 2.406 564 L HA 0.702 5.042 4.340 -0.000 0.000 0.272 564 L C -1.315 175.602 176.870 0.079 0.000 0.980 564 L CA -0.706 54.158 54.840 0.041 0.000 0.831 564 L CB 1.229 43.297 42.059 0.014 0.000 1.253 564 L HN 0.447 nan 8.230 nan 0.000 0.406 565 V N 4.710 124.643 119.914 0.032 0.000 2.472 565 V HA 0.498 4.618 4.120 -0.000 0.000 0.290 565 V C -0.091 176.018 176.094 0.024 0.000 1.037 565 V CA -0.476 61.851 62.300 0.045 0.000 0.908 565 V CB 1.418 33.221 31.823 -0.035 0.000 0.985 565 V HN 0.800 nan 8.190 nan 0.000 0.454 566 Q N 2.409 122.230 119.800 0.035 0.000 2.418 566 Q HA 0.583 4.923 4.340 -0.000 0.000 0.276 566 Q C -0.590 175.411 176.000 0.002 0.000 1.081 566 Q CA -1.025 54.787 55.803 0.015 0.000 0.864 566 Q CB 2.582 31.332 28.738 0.020 0.000 1.384 566 Q HN 0.594 nan 8.270 nan 0.000 0.467 567 R N -0.370 120.123 120.500 -0.013 0.000 2.349 567 R HA 0.583 4.923 4.340 -0.000 0.000 0.299 567 R C -0.499 175.772 176.300 -0.047 0.000 1.027 567 R CA 0.086 56.167 56.100 -0.032 0.000 0.958 567 R CB 0.750 31.026 30.300 -0.040 0.000 1.047 567 R HN 0.781 nan 8.270 nan 0.000 0.468 568 G N 2.224 110.986 108.800 -0.064 0.000 3.085 568 G HA2 0.450 4.410 3.960 -0.000 0.000 0.264 568 G HA3 0.450 4.410 3.960 -0.000 0.000 0.264 568 G C -1.452 173.374 174.900 -0.123 0.000 1.206 568 G CA -0.586 44.465 45.100 -0.083 0.000 0.809 568 G HN 0.453 nan 8.290 nan 0.000 0.592 569 K N -0.079 120.254 120.400 -0.111 0.000 2.508 569 K HA 0.528 4.848 4.320 -0.000 0.000 0.260 569 K C -2.510 174.024 176.600 -0.111 0.000 0.949 569 K CA -1.590 54.622 56.287 -0.125 0.000 0.834 569 K CB 3.636 36.020 32.500 -0.195 0.000 1.365 569 K HN 0.194 nan 8.250 nan 0.000 0.437 570 P HA 0.189 nan 4.420 nan 0.000 0.356 570 P C -0.858 176.081 177.300 -0.602 0.000 1.257 570 P CA 0.028 62.704 63.100 -0.708 0.000 1.231 570 P CB 0.676 31.463 31.700 -1.522 0.000 1.583 571 W N -0.855 120.558 121.300 0.190 0.000 2.853 571 W HA 0.493 5.153 4.660 -0.000 0.000 0.570 571 W C 1.518 178.147 176.519 0.184 0.000 1.387 571 W CA -0.774 56.652 57.345 0.135 0.000 1.127 571 W CB 0.106 29.636 29.460 0.117 0.000 2.989 571 W HN -0.425 nan 8.180 nan 0.000 0.723 572 L N 0.121 121.590 121.223 0.409 0.000 2.425 572 L HA 0.058 4.398 4.340 -0.000 0.000 0.215 572 L C 2.137 179.215 176.870 0.347 0.000 1.065 572 L CA 0.506 55.500 54.840 0.257 0.000 0.842 572 L CB -0.444 41.625 42.059 0.017 0.000 1.033 572 L HN 0.448 nan 8.230 nan 0.000 0.474 573 E N 0.878 121.266 120.200 0.313 0.000 2.070 573 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 573 E C 1.420 178.159 176.600 0.232 0.000 1.004 573 E CA 1.759 58.307 56.400 0.246 0.000 0.805 573 E CB -0.177 29.637 29.700 0.191 0.000 0.744 573 E HN 0.484 nan 8.360 nan 0.000 0.451 574 D N -0.196 120.355 120.400 0.252 0.000 2.182 574 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 574 D C 1.567 177.855 176.300 -0.020 0.000 0.986 574 D CA 0.933 54.988 54.000 0.091 0.000 0.847 574 D CB -0.433 40.383 40.800 0.027 0.000 0.942 574 D HN 0.324 nan 8.370 nan 0.000 0.467 575 W N 1.101 122.448 121.300 0.079 0.000 2.480 575 W HA 0.079 4.739 4.660 -0.000 0.000 0.299 575 W C 2.574 179.143 176.519 0.084 0.000 1.187 575 W CA 0.360 57.745 57.345 0.067 0.000 1.347 575 W CB -0.325 29.169 29.460 0.058 0.000 1.121 575 W HN -0.051 nan 8.180 nan 0.000 0.533 576 E N 0.488 120.913 120.200 0.375 0.000 2.077 576 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 576 E C 1.998 178.705 176.600 0.177 0.000 0.989 576 E CA 1.445 58.007 56.400 0.269 0.000 0.800 576 E CB -0.049 29.807 29.700 0.259 0.000 0.746 576 E HN 0.165 nan 8.360 nan 0.000 0.452 577 K N 0.274 120.757 120.400 0.139 0.000 2.148 577 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 577 K C 1.792 178.431 176.600 0.065 0.000 1.050 577 K CA 0.903 57.243 56.287 0.088 0.000 0.942 577 K CB -0.026 32.515 32.500 0.068 0.000 0.724 577 K HN 0.123 nan 8.250 nan 0.000 0.446 578 E N -0.125 120.109 120.200 0.057 0.000 2.511 578 E HA -0.044 4.306 4.350 -0.000 0.000 0.196 578 E C 0.563 177.202 176.600 0.066 0.000 1.066 578 E CA 0.284 56.701 56.400 0.028 0.000 0.871 578 E CB 0.110 29.794 29.700 -0.026 0.000 0.863 578 E HN 0.478 nan 8.360 nan 0.000 0.520 579 G N 1.595 110.457 108.800 0.103 0.000 2.147 579 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 579 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 579 G C 0.103 175.095 174.900 0.153 0.000 1.005 579 G CA 0.607 45.775 45.100 0.112 0.000 0.713 579 G HN 0.291 nan 8.290 nan 0.000 0.515 580 R N -1.735 118.898 120.500 0.221 0.000 2.950 580 R HA 0.956 5.296 4.340 -0.000 0.000 0.253 580 R C -1.309 175.230 176.300 0.399 0.000 1.168 580 R CA -1.078 55.204 56.100 0.303 0.000 1.014 580 R CB 1.430 31.941 30.300 0.352 0.000 1.228 580 R HN 0.355 nan 8.270 nan 0.000 0.487 581 L N 0.054 121.513 121.223 0.394 0.000 2.469 581 L HA 0.476 4.816 4.340 -0.000 0.000 0.256 581 L C -2.085 174.819 176.870 0.057 0.000 1.006 581 L CA -1.947 53.057 54.840 0.273 0.000 0.832 581 L CB 2.638 44.980 42.059 0.471 0.000 1.421 581 L HN 0.585 nan 8.230 nan 0.000 0.410 582 P HA 0.104 nan 4.420 nan 0.000 0.211 582 P C 0.763 178.030 177.300 -0.055 0.000 1.183 582 P CA 0.615 63.371 63.100 -0.573 0.000 0.901 582 P CB 0.409 31.419 31.700 -1.150 0.000 0.762 583 F N -0.613 119.278 119.950 -0.098 0.000 1.744 583 F HA -0.322 4.205 4.527 -0.000 0.000 0.110 583 F C 2.030 177.854 175.800 0.041 0.000 0.378 583 F CA 1.884 59.889 58.000 0.008 0.000 0.566 583 F CB -2.076 36.941 39.000 0.028 0.000 0.707 583 F HN 0.252 nan 8.300 nan 0.000 0.655 584 G N -3.245 105.818 108.800 0.438 0.000 2.645 584 G HA2 0.309 4.269 3.960 -0.000 0.000 0.210 584 G HA3 0.309 4.269 3.960 -0.000 0.000 0.210 584 G C 0.467 175.448 174.900 0.135 0.000 1.304 584 G CA 0.537 45.779 45.100 0.237 0.000 0.556 584 G HN 0.609 nan 8.290 nan 0.000 1.003 585 T N 0.395 114.965 114.554 0.026 0.000 3.332 585 T HA 0.557 4.907 4.350 -0.000 0.000 0.304 585 T C 0.718 175.265 174.700 -0.254 0.000 0.971 585 T CA 0.720 62.773 62.100 -0.079 0.000 0.954 585 T CB 1.030 69.866 68.868 -0.054 0.000 1.175 585 T HN 1.534 nan 8.240 nan 0.000 0.519 586 A N 0.286 122.796 122.820 -0.515 0.000 4.143 586 A HA 0.113 4.433 4.320 -0.000 0.000 0.183 586 A C 0.416 177.441 177.584 -0.932 0.000 1.288 586 A CA 0.248 51.946 52.037 -0.566 0.000 1.225 586 A CB -1.730 17.138 19.000 -0.221 0.000 0.987 586 A HN 0.648 nan 8.150 nan 0.000 0.744 587 S N -1.821 112.666 115.700 -2.022 0.000 2.815 587 S HA 0.448 4.918 4.470 -0.000 0.000 0.307 587 S C 0.045 174.207 174.600 -0.729 0.000 0.710 587 S CA 0.045 57.598 58.200 -1.078 0.000 0.706 587 S CB -0.076 62.914 63.200 -0.350 0.000 0.933 587 S HN 2.086 nan 8.310 nan 0.000 0.561 588 G N 3.724 112.825 108.800 0.503 0.000 2.313 588 G HA2 0.300 4.260 3.960 -0.000 0.000 0.250 588 G HA3 0.300 4.260 3.960 -0.000 0.000 0.250 588 G C -0.081 174.873 174.900 0.090 0.000 1.281 588 G CA -0.230 45.154 45.100 0.473 0.000 0.917 588 G HN 0.550 nan 8.290 nan 0.000 0.501 589 K N 4.399 124.809 120.400 0.016 0.000 2.250 589 K HA 0.147 4.467 4.320 -0.000 0.000 0.280 589 K C 1.036 177.600 176.600 -0.060 0.000 1.098 589 K CA -0.668 55.603 56.287 -0.026 0.000 0.916 589 K CB 1.760 34.249 32.500 -0.019 0.000 1.209 589 K HN 0.525 nan 8.250 nan 0.000 0.461 590 I N 1.858 122.362 120.570 -0.110 0.000 2.127 590 I HA -0.317 3.852 4.170 -0.000 0.000 0.241 590 I C 1.960 177.711 176.117 -0.610 0.000 1.075 590 I CA 1.668 62.791 61.300 -0.294 0.000 1.334 590 I CB 0.240 38.128 38.000 -0.187 0.000 1.040 590 I HN 0.595 nan 8.210 nan 0.000 0.405 591 E N 0.724 120.675 120.200 -0.415 0.000 2.110 591 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 591 E C 1.366 177.924 176.600 -0.070 0.000 0.988 591 E CA 1.635 57.794 56.400 -0.401 0.000 0.804 591 E CB -0.011 29.495 29.700 -0.322 0.000 0.745 591 E HN 0.646 nan 8.360 nan 0.000 0.458 592 L N -3.601 117.610 121.223 -0.020 0.000 4.253 592 L HA -0.146 4.194 4.340 -0.000 0.000 0.389 592 L C -1.227 175.790 176.870 0.245 0.000 1.092 592 L CA 0.690 55.620 54.840 0.150 0.000 1.053 592 L CB -2.818 39.422 42.059 0.303 0.000 2.114 592 L HN 0.221 nan 8.230 nan 0.000 0.607 593 Y N -1.485 118.728 120.300 -0.145 0.000 1.881 593 Y HA 0.229 4.779 4.550 -0.000 0.000 0.309 593 Y C 1.159 176.898 175.900 -0.269 0.000 1.164 593 Y CA -0.316 57.585 58.100 -0.332 0.000 1.811 593 Y CB -0.457 37.498 38.460 -0.842 0.000 1.252 593 Y HN 0.240 nan 8.280 nan 0.000 0.376 594 C N 2.190 121.208 119.300 -0.471 0.000 2.403 594 C HA -0.181 4.279 4.460 -0.000 0.000 0.279 594 C C 2.478 177.260 174.990 -0.346 0.000 1.269 594 C CA 2.211 61.069 59.018 -0.266 0.000 1.774 594 C CB -0.811 26.809 27.740 -0.200 0.000 1.993 594 C HN 0.868 nan 8.230 nan 0.000 0.496 595 Q N -0.096 119.231 119.800 -0.788 0.000 2.403 595 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 595 Q C 1.974 177.904 176.000 -0.117 0.000 0.932 595 Q CA 0.479 56.030 55.803 -0.421 0.000 0.945 595 Q CB -0.077 28.432 28.738 -0.382 0.000 1.045 595 Q HN 0.747 nan 8.270 nan 0.000 0.511 596 R N -0.810 119.543 120.500 -0.245 0.000 2.103 596 R HA 0.011 4.351 4.340 -0.000 0.000 0.212 596 R C 1.750 178.050 176.300 0.000 0.000 1.107 596 R CA 0.491 56.414 56.100 -0.296 0.000 1.025 596 R CB -0.662 29.221 30.300 -0.695 0.000 0.929 596 R HN 0.171 nan 8.270 nan 0.000 0.456 597 F N 2.677 122.530 119.950 -0.161 0.000 2.041 597 F HA -0.327 4.200 4.527 -0.000 0.000 0.296 597 F C 1.467 177.250 175.800 -0.029 0.000 1.147 597 F CA 2.339 60.302 58.000 -0.060 0.000 1.214 597 F CB -0.870 38.069 39.000 -0.102 0.000 0.947 597 F HN 0.045 nan 8.300 nan 0.000 0.511 598 K N -0.583 119.845 120.400 0.047 0.000 1.998 598 K HA -0.293 4.027 4.320 -0.000 0.000 0.228 598 K C 1.956 178.557 176.600 0.003 0.000 1.053 598 K CA 2.473 58.702 56.287 -0.096 0.000 0.988 598 K CB -0.545 31.903 32.500 -0.088 0.000 0.735 598 K HN 0.184 nan 8.250 nan 0.000 0.448 599 E N -1.114 119.135 120.200 0.081 0.000 2.452 599 E HA 0.133 4.483 4.350 -0.000 0.000 0.197 599 E C 1.153 177.858 176.600 0.176 0.000 1.022 599 E CA 0.426 56.896 56.400 0.117 0.000 0.890 599 E CB 0.638 30.411 29.700 0.123 0.000 0.918 599 E HN 0.378 nan 8.360 nan 0.000 0.496 600 A N -1.081 121.858 122.820 0.198 0.000 2.063 600 A HA 0.547 4.867 4.320 -0.000 0.000 0.211 600 A C 1.640 179.330 177.584 0.178 0.000 1.177 600 A CA 1.119 53.278 52.037 0.203 0.000 0.759 600 A CB 0.242 19.329 19.000 0.145 0.000 0.857 600 A HN 0.325 nan 8.150 nan 0.000 0.468 601 G N -1.722 107.196 108.800 0.196 0.000 2.906 601 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.196 601 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.196 601 G C 0.090 175.173 174.900 0.306 0.000 2.215 601 G CA 0.125 45.352 45.100 0.213 0.000 1.518 601 G HN 0.766 nan 8.290 nan 0.000 0.495 602 H N 0.512 119.695 119.070 0.187 0.000 2.621 602 H HA 0.673 5.229 4.556 -0.000 0.000 0.360 602 H C 0.855 176.249 175.328 0.110 0.000 1.163 602 H CA -0.431 55.714 56.048 0.161 0.000 1.194 602 H CB 2.101 31.965 29.762 0.169 0.000 1.649 602 H HN 0.288 nan 8.280 nan 0.000 0.532 603 Q N 2.332 122.144 119.800 0.020 0.000 2.263 603 Q HA 0.177 4.516 4.340 -0.000 0.000 0.196 603 Q C -1.888 173.905 176.000 -0.346 0.000 0.965 603 Q CA -0.378 55.276 55.803 -0.249 0.000 0.851 603 Q CB -0.066 28.239 28.738 -0.722 0.000 0.948 603 Q HN 0.481 nan 8.270 nan 0.000 0.516 604 P HA 0.041 nan 4.420 nan 0.000 0.276 604 P C -0.753 175.862 177.300 -1.142 0.000 1.244 604 P CA 0.300 62.840 63.100 -0.933 0.000 0.801 604 P CB 0.318 31.121 31.700 -1.495 0.000 1.006 605 L N 0.191 120.918 121.223 -0.826 0.000 2.919 605 L HA 0.259 4.598 4.340 -0.000 0.000 0.242 605 L C -1.500 175.038 176.870 -0.552 0.000 1.366 605 L CA -0.920 53.282 54.840 -1.064 0.000 1.212 605 L CB -1.096 40.757 42.059 -0.343 0.000 1.604 605 L HN 0.216 nan 8.230 nan 0.000 0.433 606 P HA -0.101 nan 4.420 nan 0.000 0.223 606 P C 1.053 178.298 177.300 -0.092 0.000 1.151 606 P CA 0.562 63.651 63.100 -0.018 0.000 0.787 606 P CB 0.227 32.133 31.700 0.343 0.000 0.788 607 V N 2.865 122.646 119.914 -0.222 0.000 2.032 607 V HA -0.122 3.998 4.120 -0.000 0.000 0.233 607 V C 1.556 177.672 176.094 0.036 0.000 1.578 607 V CA 0.384 62.693 62.300 0.015 0.000 1.560 607 V CB -2.237 29.777 31.823 0.318 0.000 1.556 607 V HN 0.029 nan 8.190 nan 0.000 0.496 608 F N 2.610 122.518 119.950 -0.070 0.000 2.407 608 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 608 F C 1.445 177.192 175.800 -0.090 0.000 1.097 608 F CA 0.285 58.230 58.000 -0.091 0.000 1.422 608 F CB -0.962 37.985 39.000 -0.089 0.000 1.067 608 F HN 0.398 nan 8.300 nan 0.000 0.539 609 T N 4.124 118.280 114.554 -0.662 0.000 2.265 609 T HA -0.163 4.187 4.350 -0.000 0.000 0.553 609 T C -2.353 171.796 174.700 -0.920 0.000 0.873 609 T CA 0.128 61.852 62.100 -0.627 0.000 3.443 609 T CB -1.623 67.111 68.868 -0.223 0.000 1.306 609 T HN 0.217 nan 8.240 nan 0.000 0.297 610 P HA -0.007 nan 4.420 nan 0.000 0.263 610 P C -1.990 175.084 177.300 -0.377 0.000 1.145 610 P CA -0.647 61.986 63.100 -0.778 0.000 0.755 610 P CB -0.054 31.439 31.700 -0.344 0.000 0.746 611 P HA 0.139 nan 4.420 nan 0.000 0.282 611 P C -0.206 177.090 177.300 -0.008 0.000 1.249 611 P CA -0.335 62.697 63.100 -0.114 0.000 0.806 611 P CB 0.804 32.399 31.700 -0.175 0.000 0.984 612 E N 2.087 122.328 120.200 0.069 0.000 2.414 612 E HA -0.005 4.345 4.350 -0.000 0.000 0.263 612 E C -0.238 176.465 176.600 0.172 0.000 1.000 612 E CA 0.202 56.671 56.400 0.114 0.000 0.914 612 E CB 0.468 30.280 29.700 0.187 0.000 0.948 612 E HN 0.366 nan 8.360 nan 0.000 0.444 613 E N 4.145 124.339 120.200 -0.009 0.000 2.250 613 E HA 0.313 4.663 4.350 -0.000 0.000 0.269 613 E C -2.253 173.962 176.600 -0.641 0.000 1.018 613 E CA -2.091 54.222 56.400 -0.145 0.000 0.873 613 E CB 1.020 30.651 29.700 -0.114 0.000 1.134 613 E HN 0.403 nan 8.360 nan 0.000 0.403 614 P HA 0.125 nan 4.420 nan 0.000 0.271 614 P C -2.491 174.406 177.300 -0.672 0.000 1.216 614 P CA -1.083 61.264 63.100 -1.255 0.000 0.776 614 P CB -0.313 31.117 31.700 -0.449 0.000 0.881 615 P HA 0.107 nan 4.420 nan 0.000 0.274 615 P C -0.235 177.014 177.300 -0.085 0.000 1.237 615 P CA -0.393 62.518 63.100 -0.314 0.000 0.793 615 P CB 0.270 31.752 31.700 -0.363 0.000 0.977 616 E N 0.896 121.066 120.200 -0.050 0.000 2.414 616 E HA 0.238 4.588 4.350 -0.000 0.000 0.263 616 E C 0.706 177.343 176.600 0.061 0.000 1.000 616 E CA 0.229 56.608 56.400 -0.034 0.000 0.914 616 E CB -0.648 29.027 29.700 -0.040 0.000 0.948 616 E HN 0.748 nan 8.360 nan 0.000 0.444 617 G N 2.849 111.610 108.800 -0.064 0.000 2.194 617 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.236 617 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.236 617 G C -0.254 174.446 174.900 -0.334 0.000 0.987 617 G CA 0.067 45.084 45.100 -0.140 0.000 0.635 617 G HN 0.461 nan 8.290 nan 0.000 0.520 618 F N -0.609 119.155 119.950 -0.309 0.000 2.594 618 F HA 0.871 5.398 4.527 -0.000 0.000 0.335 618 F C 0.156 175.633 175.800 -0.538 0.000 1.058 618 F CA -1.195 56.663 58.000 -0.237 0.000 0.981 618 F CB 1.369 40.322 39.000 -0.079 0.000 1.289 618 F HN -0.001 nan 8.300 nan 0.000 0.490 619 Y N -0.453 120.065 120.300 0.363 0.000 2.553 619 Y HA 0.460 5.010 4.550 -0.000 0.000 0.347 619 Y C -0.219 175.928 175.900 0.411 0.000 1.019 619 Y CA -1.304 56.971 58.100 0.292 0.000 1.032 619 Y CB 1.638 40.225 38.460 0.211 0.000 1.284 619 Y HN 0.359 nan 8.280 nan 0.000 0.466 620 R N 2.341 123.172 120.500 0.552 0.000 2.491 620 R HA 0.302 4.642 4.340 -0.000 0.000 0.283 620 R C -0.979 175.529 176.300 0.348 0.000 1.072 620 R CA -0.360 56.048 56.100 0.514 0.000 1.048 620 R CB 0.392 30.954 30.300 0.436 0.000 0.983 620 R HN 0.766 nan 8.270 nan 0.000 0.450 621 L N 7.260 128.631 121.223 0.246 0.000 2.268 621 L HA 0.259 4.599 4.340 -0.000 0.000 0.289 621 L C -0.844 176.118 176.870 0.152 0.000 1.064 621 L CA -0.276 54.675 54.840 0.186 0.000 0.824 621 L CB 0.411 42.558 42.059 0.148 0.000 1.202 621 L HN 0.638 nan 8.230 nan 0.000 0.433 622 L N 5.335 126.619 121.223 0.101 0.000 2.358 622 L HA 0.570 4.910 4.340 -0.000 0.000 0.268 622 L C -0.820 175.979 176.870 -0.119 0.000 1.032 622 L CA -0.848 53.967 54.840 -0.043 0.000 0.805 622 L CB 1.662 43.737 42.059 0.026 0.000 1.253 622 L HN 0.507 nan 8.230 nan 0.000 0.452 623 Y N -1.067 119.099 120.300 -0.224 0.000 2.689 623 Y HA 0.890 5.440 4.550 -0.000 0.000 0.333 623 Y C -0.312 175.434 175.900 -0.256 0.000 1.208 623 Y CA -0.699 57.124 58.100 -0.462 0.000 1.055 623 Y CB 1.418 39.722 38.460 -0.261 0.000 1.304 623 Y HN 0.672 nan 8.280 nan 0.000 0.455 624 G N 0.485 109.244 108.800 -0.068 0.000 2.450 624 G HA2 0.530 4.489 3.960 -0.000 0.000 0.273 624 G HA3 0.530 4.489 3.960 -0.000 0.000 0.273 624 G C -1.796 173.282 174.900 0.297 0.000 1.221 624 G CA -1.426 43.782 45.100 0.180 0.000 0.900 624 G HN 0.525 nan 8.290 nan 0.000 0.483 625 R N 0.011 120.773 120.500 0.436 0.000 2.668 625 R HA 0.731 5.071 4.340 -0.000 0.000 0.279 625 R C -0.442 175.910 176.300 0.086 0.000 0.976 625 R CA -0.633 55.551 56.100 0.140 0.000 0.978 625 R CB 1.402 31.652 30.300 -0.083 0.000 1.133 625 R HN 0.517 nan 8.270 nan 0.000 0.484 626 S N 2.450 118.205 115.700 0.092 0.000 2.442 626 S HA 0.283 4.753 4.470 -0.000 0.000 0.297 626 S C -1.439 173.161 174.600 -0.000 0.000 1.131 626 S CA -1.756 56.521 58.200 0.128 0.000 1.092 626 S CB 1.010 64.396 63.200 0.309 0.000 0.998 626 S HN 0.350 nan 8.310 nan 0.000 0.478 627 P HA -0.077 nan 4.420 nan 0.000 0.222 627 P C 0.885 178.101 177.300 -0.141 0.000 1.142 627 P CA 0.872 63.899 63.100 -0.122 0.000 0.788 627 P CB 0.144 31.784 31.700 -0.101 0.000 0.767 628 V N -2.010 117.828 119.914 -0.127 0.000 3.605 628 V HA 0.141 4.261 4.120 -0.000 0.000 0.284 628 V C 0.763 176.631 176.094 -0.376 0.000 1.386 628 V CA 0.279 62.437 62.300 -0.236 0.000 1.053 628 V CB -0.457 31.225 31.823 -0.235 0.000 0.857 628 V HN 0.176 nan 8.190 nan 0.000 0.436 629 H N -0.057 118.954 119.070 -0.099 0.000 2.572 629 H HA 0.479 5.035 4.556 -0.000 0.000 0.359 629 H C -0.462 174.722 175.328 -0.241 0.000 1.134 629 H CA -0.155 55.805 56.048 -0.147 0.000 1.187 629 H CB 2.116 31.809 29.762 -0.115 0.000 1.597 629 H HN 0.049 nan 8.280 nan 0.000 0.524 630 T N 3.906 118.365 114.554 -0.159 0.000 2.799 630 T HA 0.188 4.538 4.350 -0.000 0.000 0.286 630 T C 1.038 175.563 174.700 -0.291 0.000 0.973 630 T CA -0.395 61.461 62.100 -0.406 0.000 1.035 630 T CB 0.509 69.132 68.868 -0.409 0.000 0.932 630 T HN 0.516 nan 8.240 nan 0.000 0.469 631 F N 1.468 121.390 119.950 -0.047 0.000 2.557 631 F HA -0.447 4.080 4.527 -0.000 0.000 0.229 631 F C 2.197 177.839 175.800 -0.263 0.000 1.359 631 F CA 1.857 59.855 58.000 -0.004 0.000 1.880 631 F CB -1.255 37.791 39.000 0.077 0.000 0.549 631 F HN 0.620 nan 8.300 nan 0.000 0.350 632 A N -0.897 121.958 122.820 0.059 0.000 1.977 632 A HA 0.163 4.483 4.320 -0.000 0.000 0.197 632 A C 1.652 179.205 177.584 -0.052 0.000 1.554 632 A CA 0.298 52.221 52.037 -0.190 0.000 1.037 632 A CB -0.248 18.526 19.000 -0.377 0.000 1.083 632 A HN 0.467 nan 8.150 nan 0.000 0.471 633 R N 0.450 120.962 120.500 0.021 0.000 2.425 633 R HA -0.032 4.308 4.340 -0.000 0.000 0.206 633 R C 0.555 176.824 176.300 -0.050 0.000 1.117 633 R CA 1.622 57.723 56.100 0.001 0.000 1.098 633 R CB -0.855 29.470 30.300 0.042 0.000 0.843 633 R HN 0.254 nan 8.270 nan 0.000 0.480 634 T N -0.035 114.479 114.554 -0.066 0.000 3.043 634 T HA 0.109 4.459 4.350 -0.000 0.000 0.272 634 T C 0.963 175.681 174.700 0.029 0.000 0.990 634 T CA -0.291 61.803 62.100 -0.011 0.000 0.897 634 T CB 0.245 69.133 68.868 0.032 0.000 1.111 634 T HN 0.247 nan 8.240 nan 0.000 0.529 635 Q N 0.670 120.364 119.800 -0.177 0.000 2.488 635 Q HA 0.129 4.469 4.340 -0.000 0.000 0.211 635 Q C 1.176 177.061 176.000 -0.191 0.000 0.967 635 Q CA 0.734 56.342 55.803 -0.325 0.000 0.926 635 Q CB -0.195 28.220 28.738 -0.538 0.000 0.992 635 Q HN 0.418 nan 8.270 nan 0.000 0.506 636 N N 0.720 119.338 118.700 -0.137 0.000 2.184 636 N HA -0.029 4.711 4.740 -0.000 0.000 0.206 636 N C -0.406 175.118 175.510 0.022 0.000 1.151 636 N CA -0.115 52.897 53.050 -0.063 0.000 0.878 636 N CB 0.394 38.825 38.487 -0.092 0.000 1.014 636 N HN 0.005 nan 8.380 nan 0.000 0.512 637 N N 1.349 120.055 118.700 0.009 0.000 2.405 637 N HA -0.056 4.684 4.740 -0.000 0.000 0.260 637 N C 1.211 176.754 175.510 0.055 0.000 1.152 637 N CA -0.246 52.791 53.050 -0.022 0.000 0.948 637 N CB 0.240 38.676 38.487 -0.084 0.000 1.111 637 N HN 0.392 nan 8.380 nan 0.000 0.485 638 W N 4.429 125.742 121.300 0.023 0.000 2.402 638 W HA -0.072 4.588 4.660 -0.000 0.000 0.286 638 W C 0.449 176.988 176.519 0.033 0.000 1.221 638 W CA 0.187 57.555 57.345 0.037 0.000 1.257 638 W CB -0.636 28.847 29.460 0.039 0.000 1.120 638 W HN 0.212 nan 8.180 nan 0.000 0.551 639 V N 2.355 121.916 119.914 -0.588 0.000 2.515 639 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 639 V C 2.500 178.490 176.094 -0.174 0.000 1.058 639 V CA 1.649 63.617 62.300 -0.553 0.000 1.064 639 V CB -0.624 30.734 31.823 -0.774 0.000 0.675 639 V HN 0.189 nan 8.190 nan 0.000 0.461 640 L N -1.709 119.415 121.223 -0.166 0.000 2.298 640 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 640 L C 2.370 179.198 176.870 -0.070 0.000 1.084 640 L CA 0.486 55.205 54.840 -0.201 0.000 0.816 640 L CB -0.329 41.541 42.059 -0.315 0.000 0.967 640 L HN 0.246 nan 8.230 nan 0.000 0.460 641 M N -0.219 119.479 119.600 0.163 0.000 2.319 641 M HA -0.163 4.317 4.480 -0.000 0.000 0.265 641 M C 1.981 178.434 176.300 0.254 0.000 1.068 641 M CA 1.358 56.857 55.300 0.332 0.000 1.118 641 M CB -0.628 32.143 32.600 0.284 0.000 1.395 641 M HN 0.266 nan 8.290 nan 0.000 0.435 642 E N -0.415 119.914 120.200 0.214 0.000 2.347 642 E HA -0.112 4.237 4.350 -0.000 0.000 0.196 642 E C 1.747 178.430 176.600 0.139 0.000 1.008 642 E CA 0.598 57.119 56.400 0.201 0.000 0.852 642 E CB 0.336 30.206 29.700 0.283 0.000 0.783 642 E HN 0.293 nan 8.360 nan 0.000 0.505 643 M N 0.067 119.724 119.600 0.096 0.000 2.486 643 M HA 0.086 4.566 4.480 -0.000 0.000 0.264 643 M C 0.109 176.466 176.300 0.095 0.000 1.125 643 M CA 0.731 56.064 55.300 0.055 0.000 1.144 643 M CB 0.123 32.710 32.600 -0.022 0.000 1.353 643 M HN -0.086 nan 8.290 nan 0.000 0.466 644 D N 0.147 120.659 120.400 0.186 0.000 2.445 644 D HA 0.226 4.866 4.640 -0.000 0.000 0.236 644 D C -2.284 174.321 176.300 0.508 0.000 1.315 644 D CA -1.148 53.036 54.000 0.305 0.000 0.924 644 D CB 1.413 42.420 40.800 0.345 0.000 1.447 644 D HN -0.086 nan 8.370 nan 0.000 0.532 645 P HA 0.075 nan 4.420 nan 0.000 0.241 645 P C -0.560 176.862 177.300 0.203 0.000 1.191 645 P CA 0.581 63.846 63.100 0.275 0.000 0.771 645 P CB 0.161 31.966 31.700 0.175 0.000 0.929 646 E N -1.440 118.729 120.200 -0.052 0.000 2.409 646 E HA 0.271 4.621 4.350 -0.000 0.000 0.280 646 E C -1.216 174.891 176.600 -0.823 0.000 1.079 646 E CA -1.150 54.959 56.400 -0.486 0.000 0.840 646 E CB 0.416 30.031 29.700 -0.142 0.000 1.309 646 E HN -0.001 nan 8.360 nan 0.000 0.447 647 N N 0.275 118.316 118.700 -1.097 0.000 2.448 647 N HA 0.519 5.258 4.740 -0.000 0.000 0.274 647 N C -0.972 174.381 175.510 -0.262 0.000 1.239 647 N CA -0.918 51.751 53.050 -0.635 0.000 0.982 647 N CB 1.116 39.278 38.487 -0.541 0.000 1.199 647 N HN 0.503 nan 8.380 nan 0.000 0.576 648 E N -0.053 120.100 120.200 -0.078 0.000 2.290 648 E HA 0.255 4.605 4.350 -0.000 0.000 0.274 648 E C -1.366 175.337 176.600 0.172 0.000 0.889 648 E CA -0.829 55.566 56.400 -0.009 0.000 0.760 648 E CB 2.387 32.088 29.700 0.001 0.000 1.206 648 E HN 0.334 nan 8.360 nan 0.000 0.419 649 V N 1.902 121.869 119.914 0.088 0.000 2.488 649 V HA 0.222 4.342 4.120 -0.000 0.000 0.277 649 V C -0.596 175.672 176.094 0.289 0.000 1.046 649 V CA -0.633 61.769 62.300 0.170 0.000 0.986 649 V CB -0.172 31.675 31.823 0.040 0.000 0.989 649 V HN 0.605 nan 8.190 nan 0.000 0.475 650 W N 6.079 127.400 121.300 0.036 0.000 2.332 650 W HA 0.723 5.383 4.660 -0.000 0.000 0.306 650 W C -0.345 176.158 176.519 -0.028 0.000 1.149 650 W CA -0.984 56.378 57.345 0.029 0.000 1.271 650 W CB 0.249 29.780 29.460 0.118 0.000 1.243 650 W HN 0.417 nan 8.180 nan 0.000 0.459 651 I N 1.190 121.810 120.570 0.084 0.000 2.828 651 I HA 0.286 4.456 4.170 -0.000 0.000 0.302 651 I C 0.237 176.358 176.117 0.006 0.000 1.101 651 I CA -1.477 59.808 61.300 -0.025 0.000 1.031 651 I CB 1.286 39.194 38.000 -0.153 0.000 1.231 651 I HN 0.298 nan 8.210 nan 0.000 0.427 652 H N 3.845 122.915 119.070 -0.000 0.000 2.897 652 H HA 0.135 4.691 4.556 -0.000 0.000 0.347 652 H C 0.647 175.974 175.328 -0.001 0.000 1.068 652 H CA 0.829 56.896 56.048 0.032 0.000 1.426 652 H CB 1.171 30.976 29.762 0.071 0.000 1.410 652 H HN 0.638 nan 8.280 nan 0.000 0.597 653 K N 2.954 123.092 120.400 -0.437 0.000 2.089 653 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 653 K C 1.865 178.530 176.600 0.108 0.000 1.048 653 K CA 2.229 58.427 56.287 -0.149 0.000 0.926 653 K CB 0.106 32.466 32.500 -0.233 0.000 0.714 653 K HN 0.666 nan 8.250 nan 0.000 0.448 654 E N -0.169 120.288 120.200 0.429 0.000 2.285 654 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 654 E C 1.743 178.445 176.600 0.170 0.000 0.997 654 E CA 0.596 57.147 56.400 0.250 0.000 0.845 654 E CB 0.291 30.104 29.700 0.187 0.000 0.782 654 E HN 0.231 nan 8.360 nan 0.000 0.491 655 E N 0.275 120.600 120.200 0.208 0.000 2.060 655 E HA -0.057 4.293 4.350 -0.000 0.000 0.189 655 E C 2.101 178.757 176.600 0.092 0.000 0.974 655 E CA 0.875 57.369 56.400 0.156 0.000 0.808 655 E CB -0.261 29.553 29.700 0.189 0.000 0.768 655 E HN 0.208 nan 8.360 nan 0.000 0.453 656 A N 1.791 124.640 122.820 0.048 0.000 2.076 656 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 656 A C 2.111 179.705 177.584 0.018 0.000 1.160 656 A CA 1.584 53.625 52.037 0.006 0.000 0.653 656 A CB -0.375 18.605 19.000 -0.033 0.000 0.801 656 A HN 0.080 nan 8.150 nan 0.000 0.455 657 K N -0.665 119.757 120.400 0.036 0.000 2.076 657 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 657 K C 2.353 178.972 176.600 0.032 0.000 1.051 657 K CA 0.915 57.219 56.287 0.028 0.000 0.949 657 K CB -0.165 32.355 32.500 0.034 0.000 0.726 657 K HN 0.453 nan 8.250 nan 0.000 0.443 658 R N 0.757 121.285 120.500 0.047 0.000 2.066 658 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 658 R C 1.044 177.367 176.300 0.039 0.000 1.131 658 R CA 0.497 56.623 56.100 0.042 0.000 0.955 658 R CB -0.207 30.124 30.300 0.053 0.000 0.851 658 R HN 0.086 nan 8.270 nan 0.000 0.432 659 L N -0.831 120.422 121.223 0.049 0.000 2.394 659 L HA 0.090 4.430 4.340 -0.000 0.000 0.229 659 L C 1.052 177.936 176.870 0.023 0.000 1.225 659 L CA 0.348 55.212 54.840 0.039 0.000 0.829 659 L CB 0.128 42.215 42.059 0.046 0.000 1.195 659 L HN 0.285 nan 8.230 nan 0.000 0.548 660 G N 1.156 109.965 108.800 0.015 0.000 4.873 660 G HA2 0.516 4.476 3.960 -0.000 0.000 0.314 660 G HA3 0.516 4.476 3.960 -0.000 0.000 0.314 660 G C -0.486 174.417 174.900 0.004 0.000 1.426 660 G CA -0.320 44.785 45.100 0.010 0.000 1.136 660 G HN 0.208 nan 8.290 nan 0.000 0.589 661 L N 1.174 122.396 121.223 -0.002 0.000 2.317 661 L HA 0.618 4.958 4.340 -0.000 0.000 0.281 661 L C 0.300 177.154 176.870 -0.028 0.000 1.024 661 L CA -0.919 53.912 54.840 -0.016 0.000 0.810 661 L CB 1.933 43.977 42.059 -0.026 0.000 1.240 661 L HN 0.263 nan 8.230 nan 0.000 0.427 662 K N 1.012 121.392 120.400 -0.033 0.000 2.208 662 K HA 0.452 4.772 4.320 -0.000 0.000 0.241 662 K C 0.279 176.841 176.600 -0.065 0.000 1.087 662 K CA -0.852 55.409 56.287 -0.044 0.000 0.883 662 K CB 1.301 33.783 32.500 -0.029 0.000 1.360 662 K HN 0.310 nan 8.250 nan 0.000 0.496 663 E N 0.291 120.450 120.200 -0.069 0.000 2.086 663 E HA -0.204 4.146 4.350 -0.000 0.000 0.205 663 E C 1.484 178.028 176.600 -0.093 0.000 1.027 663 E CA 2.527 58.874 56.400 -0.087 0.000 0.830 663 E CB -0.509 29.146 29.700 -0.074 0.000 0.751 663 E HN 0.783 nan 8.360 nan 0.000 0.456 664 G N -0.324 108.445 108.800 -0.052 0.000 3.284 664 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.236 664 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.236 664 G C -0.380 174.516 174.900 -0.006 0.000 1.158 664 G CA -0.269 44.814 45.100 -0.029 0.000 0.774 664 G HN 0.079 nan 8.290 nan 0.000 0.545 665 D N -0.151 120.219 120.400 -0.050 0.000 2.360 665 D HA 0.357 4.997 4.640 -0.000 0.000 0.242 665 D C -0.453 175.757 176.300 -0.150 0.000 1.184 665 D CA 0.292 54.294 54.000 0.003 0.000 0.930 665 D CB 0.832 41.626 40.800 -0.010 0.000 1.161 665 D HN 0.117 nan 8.370 nan 0.000 0.447 666 Y N -0.801 119.488 120.300 -0.019 0.000 2.587 666 Y HA 0.624 5.174 4.550 -0.000 0.000 0.337 666 Y C 0.099 175.991 175.900 -0.014 0.000 1.065 666 Y CA -0.745 57.344 58.100 -0.019 0.000 1.126 666 Y CB 1.784 40.233 38.460 -0.018 0.000 1.279 666 Y HN 0.017 nan 8.280 nan 0.000 0.489 667 V N 2.512 122.495 119.914 0.115 0.000 3.147 667 V HA 0.384 4.504 4.120 -0.000 0.000 0.299 667 V C -1.177 174.957 176.094 0.066 0.000 1.302 667 V CA -1.093 61.243 62.300 0.060 0.000 1.015 667 V CB 2.518 34.342 31.823 0.003 0.000 1.086 667 V HN 0.602 nan 8.190 nan 0.000 0.437 668 M N 3.887 123.517 119.600 0.049 0.000 2.423 668 M HA 0.584 5.064 4.480 -0.000 0.000 0.335 668 M C -0.830 175.494 176.300 0.040 0.000 1.177 668 M CA -0.383 54.944 55.300 0.045 0.000 1.038 668 M CB 1.367 33.989 32.600 0.038 0.000 1.641 668 M HN 0.363 nan 8.290 nan 0.000 0.455 669 L N 2.718 123.970 121.223 0.048 0.000 2.282 669 L HA 0.598 4.938 4.340 -0.000 0.000 0.288 669 L C -0.662 176.254 176.870 0.077 0.000 1.033 669 L CA -0.838 54.041 54.840 0.064 0.000 0.807 669 L CB 1.404 43.507 42.059 0.074 0.000 1.209 669 L HN 0.341 nan 8.230 nan 0.000 0.423 670 V N 2.841 122.807 119.914 0.086 0.000 2.448 670 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 670 V C -0.025 176.199 176.094 0.217 0.000 1.025 670 V CA -0.834 61.535 62.300 0.115 0.000 0.859 670 V CB 1.560 33.429 31.823 0.078 0.000 0.988 670 V HN 0.909 nan 8.190 nan 0.000 0.431 671 N N 3.521 122.358 118.700 0.228 0.000 2.448 671 N HA 0.186 4.926 4.740 -0.000 0.000 0.274 671 N C 0.991 176.722 175.510 0.367 0.000 1.239 671 N CA -0.718 52.516 53.050 0.307 0.000 0.982 671 N CB 0.753 39.344 38.487 0.173 0.000 1.199 671 N HN 0.630 nan 8.380 nan 0.000 0.576 672 Q N -0.018 119.937 119.800 0.258 0.000 2.297 672 Q HA -0.190 4.150 4.340 -0.000 0.000 0.208 672 Q C -0.305 175.740 176.000 0.076 0.000 0.981 672 Q CA 1.659 57.485 55.803 0.038 0.000 0.876 672 Q CB -0.405 28.270 28.738 -0.105 0.000 0.921 672 Q HN 0.642 nan 8.270 nan 0.000 0.446 673 D N 0.076 120.530 120.400 0.089 0.000 2.388 673 D HA 0.228 4.868 4.640 -0.000 0.000 0.221 673 D C 0.748 177.096 176.300 0.080 0.000 1.133 673 D CA 0.620 54.658 54.000 0.063 0.000 0.831 673 D CB 0.572 41.391 40.800 0.032 0.000 0.962 673 D HN 0.489 nan 8.370 nan 0.000 0.502 674 G N 0.464 109.336 108.800 0.121 0.000 2.205 674 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.261 674 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.261 674 G C 0.574 175.528 174.900 0.091 0.000 0.980 674 G CA 0.226 45.390 45.100 0.106 0.000 0.632 674 G HN 0.318 nan 8.290 nan 0.000 0.533 675 V N 1.173 121.140 119.914 0.089 0.000 2.572 675 V HA 0.360 4.480 4.120 -0.000 0.000 0.291 675 V C 0.813 176.959 176.094 0.087 0.000 1.039 675 V CA 0.442 62.792 62.300 0.082 0.000 1.055 675 V CB 1.300 33.173 31.823 0.083 0.000 0.969 675 V HN 0.359 nan 8.190 nan 0.000 0.482 676 K N 3.402 123.842 120.400 0.068 0.000 2.138 676 K HA 0.478 4.798 4.320 -0.000 0.000 0.263 676 K C -0.410 176.213 176.600 0.038 0.000 0.965 676 K CA -0.603 55.717 56.287 0.054 0.000 0.868 676 K CB 1.212 33.736 32.500 0.039 0.000 1.083 676 K HN 0.526 nan 8.250 nan 0.000 0.443 677 E N 1.520 121.742 120.200 0.036 0.000 2.182 677 E HA 0.195 4.545 4.350 -0.000 0.000 0.258 677 E C -0.257 176.348 176.600 0.009 0.000 0.879 677 E CA -0.469 55.938 56.400 0.012 0.000 0.754 677 E CB 1.523 31.244 29.700 0.035 0.000 1.162 677 E HN 0.839 nan 8.360 nan 0.000 0.419 678 G N 5.503 114.291 108.800 -0.020 0.000 3.227 678 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.235 678 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.235 678 G C -2.079 172.841 174.900 0.032 0.000 0.739 678 G CA -0.680 44.414 45.100 -0.010 0.000 1.073 678 G HN 0.318 nan 8.290 nan 0.000 0.352 679 P HA 0.226 nan 4.420 nan 0.000 0.263 679 P C -0.023 177.417 177.300 0.234 0.000 1.195 679 P CA 0.034 63.218 63.100 0.140 0.000 0.762 679 P CB 0.781 32.546 31.700 0.108 0.000 0.799 680 V N 3.084 123.112 119.914 0.190 0.000 2.715 680 V HA 0.513 4.633 4.120 -0.000 0.000 0.310 680 V C 0.698 176.650 176.094 -0.236 0.000 1.054 680 V CA -1.323 61.008 62.300 0.051 0.000 0.928 680 V CB 1.800 33.609 31.823 -0.023 0.000 1.007 680 V HN 0.414 nan 8.190 nan 0.000 0.437 681 R N 1.223 121.428 120.500 -0.492 0.000 2.543 681 R HA 0.534 4.874 4.340 -0.000 0.000 0.277 681 R C -0.812 175.242 176.300 -0.410 0.000 1.074 681 R CA -0.276 55.302 56.100 -0.871 0.000 1.076 681 R CB 1.297 31.189 30.300 -0.679 0.000 0.993 681 R HN 0.671 nan 8.270 nan 0.000 0.459 682 V N 4.435 124.122 119.914 -0.378 0.000 2.607 682 V HA 0.170 4.290 4.120 -0.000 0.000 0.289 682 V C 0.433 176.409 176.094 -0.197 0.000 1.053 682 V CA -0.065 62.110 62.300 -0.209 0.000 0.996 682 V CB 1.471 33.196 31.823 -0.163 0.000 0.995 682 V HN 0.624 nan 8.190 nan 0.000 0.476 683 K N 6.412 126.713 120.400 -0.164 0.000 2.753 683 K HA 0.319 4.639 4.320 -0.000 0.000 0.185 683 K C -2.249 174.209 176.600 -0.238 0.000 1.071 683 K CA -1.639 54.503 56.287 -0.241 0.000 0.999 683 K CB 1.721 34.008 32.500 -0.355 0.000 1.244 683 K HN 0.389 nan 8.250 nan 0.000 0.594 684 P HA -0.042 nan 4.420 nan 0.000 0.274 684 P C -0.325 176.845 177.300 -0.217 0.000 1.370 684 P CA 0.245 63.244 63.100 -0.168 0.000 0.760 684 P CB -0.470 31.154 31.700 -0.126 0.000 1.308 685 T N -1.730 112.653 114.554 -0.285 0.000 2.767 685 T HA 0.613 4.963 4.350 -0.000 0.000 0.284 685 T C 0.375 174.888 174.700 -0.313 0.000 0.973 685 T CA -0.874 61.048 62.100 -0.298 0.000 0.996 685 T CB 1.707 70.388 68.868 -0.312 0.000 0.927 685 T HN 0.107 nan 8.240 nan 0.000 0.456 686 A N 3.595 126.216 122.820 -0.331 0.000 2.492 686 A HA 0.510 4.830 4.320 -0.000 0.000 0.254 686 A C 0.967 178.455 177.584 -0.159 0.000 1.091 686 A CA -0.477 51.357 52.037 -0.340 0.000 0.768 686 A CB -0.086 18.620 19.000 -0.490 0.000 1.028 686 A HN 0.921 nan 8.150 nan 0.000 0.498 687 R N 1.264 121.768 120.500 0.007 0.000 2.483 687 R HA 0.167 4.507 4.340 -0.000 0.000 0.170 687 R C -1.165 175.322 176.300 0.312 0.000 0.555 687 R CA 0.005 56.167 56.100 0.104 0.000 0.781 687 R CB -0.294 30.102 30.300 0.160 0.000 1.238 687 R HN 0.724 nan 8.270 nan 0.000 0.549 688 I N 0.567 121.350 120.570 0.355 0.000 2.827 688 I HA 0.393 4.562 4.170 -0.000 0.000 0.298 688 I C -0.556 175.817 176.117 0.426 0.000 1.235 688 I CA -0.871 60.670 61.300 0.402 0.000 1.021 688 I CB 1.933 40.139 38.000 0.343 0.000 1.259 688 I HN -0.033 nan 8.210 nan 0.000 0.427 689 R N 4.280 124.988 120.500 0.348 0.000 2.801 689 R HA 0.213 4.553 4.340 -0.000 0.000 0.273 689 R C 0.383 176.834 176.300 0.253 0.000 1.080 689 R CA -0.274 55.976 56.100 0.249 0.000 1.197 689 R CB 0.306 30.704 30.300 0.163 0.000 1.109 689 R HN 0.534 nan 8.270 nan 0.000 0.535 690 K N 0.654 121.152 120.400 0.164 0.000 2.418 690 K HA -0.039 4.281 4.320 -0.000 0.000 0.195 690 K C 0.547 177.352 176.600 0.343 0.000 1.035 690 K CA 0.546 56.957 56.287 0.206 0.000 1.003 690 K CB 0.267 32.797 32.500 0.051 0.000 0.793 690 K HN 0.473 nan 8.250 nan 0.000 0.494 691 D N 0.276 120.832 120.400 0.261 0.000 2.312 691 D HA -0.041 4.599 4.640 -0.000 0.000 0.211 691 D C 0.680 177.218 176.300 0.396 0.000 0.964 691 D CA 0.662 54.812 54.000 0.249 0.000 0.877 691 D CB 0.175 41.082 40.800 0.179 0.000 0.924 691 D HN 0.132 nan 8.370 nan 0.000 0.515 692 C N -0.581 118.967 119.300 0.413 0.000 2.973 692 C HA 0.753 5.213 4.460 -0.000 0.000 0.329 692 C C -0.042 175.105 174.990 0.261 0.000 1.327 692 C CA -0.769 58.468 59.018 0.366 0.000 1.632 692 C CB 2.655 30.547 27.740 0.253 0.000 2.098 692 C HN -0.085 nan 8.230 nan 0.000 0.469 693 V N 0.238 120.289 119.914 0.229 0.000 3.048 693 V HA 0.601 4.721 4.120 -0.000 0.000 0.303 693 V C -1.934 174.281 176.094 0.201 0.000 1.214 693 V CA -0.441 61.947 62.300 0.145 0.000 0.984 693 V CB 2.244 34.101 31.823 0.056 0.000 1.054 693 V HN 0.842 nan 8.190 nan 0.000 0.430 694 Y N 5.750 126.063 120.300 0.022 0.000 2.492 694 Y HA 0.849 5.399 4.550 -0.000 0.000 0.346 694 Y C -0.826 175.003 175.900 -0.118 0.000 0.997 694 Y CA -0.807 57.214 58.100 -0.131 0.000 1.025 694 Y CB 1.847 40.074 38.460 -0.389 0.000 1.263 694 Y HN 0.675 nan 8.280 nan 0.000 0.454 695 I N 2.948 123.033 120.570 -0.807 0.000 2.802 695 I HA 0.670 4.840 4.170 -0.000 0.000 0.298 695 I C -1.635 174.066 176.117 -0.692 0.000 1.176 695 I CA -1.355 59.629 61.300 -0.527 0.000 1.025 695 I CB 2.013 39.917 38.000 -0.160 0.000 1.243 695 I HN 0.365 nan 8.210 nan 0.000 0.424 696 V N 3.471 123.179 119.914 -0.344 0.000 2.614 696 V HA 0.100 4.220 4.120 -0.000 0.000 0.291 696 V C 0.162 176.317 176.094 0.100 0.000 1.049 696 V CA 0.079 62.320 62.300 -0.099 0.000 1.038 696 V CB 0.566 32.457 31.823 0.115 0.000 0.980 696 V HN 0.837 nan 8.190 nan 0.000 0.481 697 H N 3.264 122.378 119.070 0.073 0.000 2.707 697 H HA 0.479 5.035 4.556 -0.000 0.000 0.359 697 H C 0.940 176.347 175.328 0.131 0.000 1.113 697 H CA 0.588 56.691 56.048 0.092 0.000 1.422 697 H CB 0.922 30.726 29.762 0.071 0.000 1.443 697 H HN 0.878 nan 8.280 nan 0.000 0.591 698 G N 2.459 110.777 108.800 -0.804 0.000 2.184 698 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.206 698 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.206 698 G C -0.281 174.318 174.900 -0.501 0.000 0.995 698 G CA 0.039 44.683 45.100 -0.759 0.000 0.651 698 G HN 0.489 nan 8.290 nan 0.000 0.511 699 F N -0.320 119.533 119.950 -0.162 0.000 2.544 699 F HA 0.613 5.140 4.527 -0.000 0.000 0.378 699 F C 1.651 177.455 175.800 0.007 0.000 1.112 699 F CA 0.397 58.367 58.000 -0.050 0.000 1.115 699 F CB 1.117 40.090 39.000 -0.046 0.000 1.436 699 F HN 0.787 nan 8.300 nan 0.000 0.496 700 G N 0.474 109.439 108.800 0.275 0.000 2.160 700 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 700 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 700 G C -0.199 174.746 174.900 0.074 0.000 1.022 700 G CA -0.460 44.704 45.100 0.106 0.000 0.741 700 G HN 0.687 nan 8.290 nan 0.000 0.508 701 H N 0.693 119.844 119.070 0.134 0.000 2.815 701 H HA 0.210 4.766 4.556 -0.000 0.000 0.350 701 H C 0.424 175.823 175.328 0.118 0.000 1.080 701 H CA 0.619 56.785 56.048 0.196 0.000 1.433 701 H CB 0.720 30.560 29.762 0.129 0.000 1.432 701 H HN 0.264 nan 8.280 nan 0.000 0.592 702 K N 1.724 122.312 120.400 0.313 0.000 2.484 702 K HA 0.536 4.856 4.320 -0.000 0.000 0.226 702 K C -0.822 176.054 176.600 0.460 0.000 1.031 702 K CA -0.704 55.789 56.287 0.343 0.000 1.026 702 K CB 1.249 33.856 32.500 0.179 0.000 1.412 702 K HN 0.538 nan 8.250 nan 0.000 0.492 703 A N 3.374 126.539 122.820 0.575 0.000 3.005 703 A HA 0.403 4.723 4.320 -0.000 0.000 0.308 703 A C -2.315 175.305 177.584 0.060 0.000 1.173 703 A CA -1.018 51.190 52.037 0.286 0.000 0.796 703 A CB 0.883 20.058 19.000 0.293 0.000 1.325 703 A HN 0.159 nan 8.150 nan 0.000 0.467 704 P HA -0.177 nan 4.420 nan 0.000 0.218 704 P C 1.302 178.486 177.300 -0.194 0.000 1.146 704 P CA 1.002 63.762 63.100 -0.567 0.000 0.813 704 P CB 0.179 31.615 31.700 -0.440 0.000 0.778 705 L N -2.668 118.499 121.223 -0.092 0.000 2.313 705 L HA 0.040 4.380 4.340 -0.000 0.000 0.214 705 L C 1.406 178.254 176.870 -0.037 0.000 1.119 705 L CA 0.537 55.342 54.840 -0.058 0.000 0.809 705 L CB -0.530 41.497 42.059 -0.054 0.000 0.933 705 L HN 0.002 nan 8.230 nan 0.000 0.449 706 M N 0.117 119.705 119.600 -0.020 0.000 2.497 706 M HA 0.122 4.602 4.480 -0.000 0.000 0.336 706 M C 0.988 177.296 176.300 0.013 0.000 1.378 706 M CA 0.065 55.350 55.300 -0.026 0.000 1.375 706 M CB 0.705 33.257 32.600 -0.080 0.000 1.337 706 M HN 0.074 nan 8.290 nan 0.000 0.461 707 R N 1.587 122.099 120.500 0.020 0.000 2.127 707 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 707 R C 1.276 177.622 176.300 0.077 0.000 1.134 707 R CA 1.253 57.382 56.100 0.049 0.000 0.975 707 R CB -0.291 30.028 30.300 0.032 0.000 0.865 707 R HN 0.646 nan 8.270 nan 0.000 0.447 708 L N -2.931 118.329 121.223 0.062 0.000 2.667 708 L HA 0.435 4.775 4.340 -0.000 0.000 0.232 708 L C 1.633 178.533 176.870 0.050 0.000 1.138 708 L CA -0.015 54.870 54.840 0.075 0.000 0.921 708 L CB 0.337 42.458 42.059 0.104 0.000 1.180 708 L HN -0.078 nan 8.230 nan 0.000 0.487 709 A N -1.094 121.720 122.820 -0.010 0.000 2.167 709 A HA 0.062 4.382 4.320 -0.000 0.000 0.208 709 A C 0.636 178.230 177.584 0.016 0.000 1.198 709 A CA -0.084 51.886 52.037 -0.112 0.000 0.863 709 A CB -0.341 18.361 19.000 -0.497 0.000 0.904 709 A HN 0.461 nan 8.150 nan 0.000 0.484 710 H N 0.120 119.190 119.070 -0.001 0.000 3.091 710 H HA 0.381 4.937 4.556 -0.000 0.000 0.289 710 H C 1.333 176.709 175.328 0.081 0.000 0.995 710 H CA 0.953 57.041 56.048 0.067 0.000 1.461 710 H CB 0.056 29.848 29.762 0.050 0.000 1.510 710 H HN 0.567 nan 8.280 nan 0.000 0.546 711 G N 4.485 112.970 108.800 -0.525 0.000 2.143 711 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.249 711 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.249 711 G C -0.049 174.796 174.900 -0.090 0.000 0.981 711 G CA 0.098 44.972 45.100 -0.376 0.000 0.665 711 G HN 0.736 nan 8.290 nan 0.000 0.528 712 R N 0.029 120.549 120.500 0.034 0.000 2.338 712 R HA 0.613 4.953 4.340 -0.000 0.000 0.317 712 R C 0.885 177.306 176.300 0.203 0.000 0.968 712 R CA -0.092 56.085 56.100 0.128 0.000 0.849 712 R CB 1.578 31.994 30.300 0.194 0.000 1.128 712 R HN 1.437 nan 8.270 nan 0.000 0.448 713 G N 1.486 110.343 108.800 0.095 0.000 2.796 713 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.226 713 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.226 713 G C -0.897 174.046 174.900 0.073 0.000 1.381 713 G CA -0.373 44.744 45.100 0.028 0.000 0.867 713 G HN 0.832 nan 8.290 nan 0.000 0.552 714 A N -0.659 122.193 122.820 0.053 0.000 2.337 714 A HA 0.862 5.182 4.320 -0.000 0.000 0.329 714 A C 0.466 178.106 177.584 0.093 0.000 1.146 714 A CA 0.895 52.964 52.037 0.053 0.000 0.800 714 A CB 1.664 20.685 19.000 0.034 0.000 1.220 714 A HN 2.280 nan 8.150 nan 0.000 0.472 715 S N 0.883 116.627 115.700 0.073 0.000 2.452 715 S HA 0.223 4.693 4.470 -0.000 0.000 0.284 715 S C 0.922 175.590 174.600 0.113 0.000 1.171 715 S CA -0.047 58.224 58.200 0.118 0.000 1.064 715 S CB 0.460 63.720 63.200 0.101 0.000 0.967 715 S HN 0.737 nan 8.310 nan 0.000 0.484 716 D N 4.476 124.944 120.400 0.113 0.000 2.144 716 D HA -0.208 4.432 4.640 -0.000 0.000 0.200 716 D C 1.401 177.688 176.300 -0.022 0.000 0.978 716 D CA 0.959 54.979 54.000 0.034 0.000 0.833 716 D CB -0.696 40.091 40.800 -0.021 0.000 0.961 716 D HN 0.705 nan 8.370 nan 0.000 0.470 717 N N -0.448 118.254 118.700 0.003 0.000 2.166 717 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 717 N C 1.508 176.937 175.510 -0.134 0.000 1.019 717 N CA 0.674 53.660 53.050 -0.107 0.000 0.856 717 N CB -0.166 38.257 38.487 -0.106 0.000 0.993 717 N HN 0.160 nan 8.380 nan 0.000 0.426 718 Y N 0.678 120.887 120.300 -0.151 0.000 2.574 718 Y HA 0.034 4.584 4.550 -0.000 0.000 0.294 718 Y C 1.808 177.661 175.900 -0.078 0.000 1.142 718 Y CA 0.633 58.652 58.100 -0.135 0.000 1.314 718 Y CB 0.186 38.566 38.460 -0.132 0.000 0.991 718 Y HN 0.101 nan 8.280 nan 0.000 0.555 719 L N -0.974 120.291 121.223 0.070 0.000 2.554 719 L HA 0.042 4.382 4.340 -0.000 0.000 0.225 719 L C 0.360 177.230 176.870 0.001 0.000 1.104 719 L CA 0.288 55.159 54.840 0.052 0.000 0.866 719 L CB 0.112 42.211 42.059 0.066 0.000 1.047 719 L HN -0.040 nan 8.230 nan 0.000 0.468 720 Q N -0.353 119.415 119.800 -0.053 0.000 2.835 720 Q HA 0.073 4.413 4.340 -0.000 0.000 0.235 720 Q C 1.003 176.967 176.000 -0.061 0.000 1.313 720 Q CA -0.119 55.638 55.803 -0.076 0.000 1.053 720 Q CB 0.803 29.457 28.738 -0.140 0.000 1.443 720 Q HN 0.043 nan 8.270 nan 0.000 0.576 721 T N 0.777 115.308 114.554 -0.038 0.000 2.896 721 T HA 0.030 4.379 4.350 -0.000 0.000 0.263 721 T C 0.482 175.174 174.700 -0.013 0.000 1.050 721 T CA 1.082 63.162 62.100 -0.033 0.000 1.140 721 T CB 0.315 69.169 68.868 -0.022 0.000 0.877 721 T HN 0.346 nan 8.240 nan 0.000 0.457 722 R N -0.031 120.455 120.500 -0.024 0.000 2.902 722 R HA 0.626 4.966 4.340 -0.000 0.000 0.258 722 R C -1.434 174.884 176.300 0.030 0.000 1.071 722 R CA -0.947 55.112 56.100 -0.068 0.000 1.024 722 R CB 1.351 31.584 30.300 -0.111 0.000 1.184 722 R HN 0.335 nan 8.270 nan 0.000 0.492 723 Y N -2.346 117.906 120.300 -0.080 0.000 2.558 723 Y HA 0.430 4.980 4.550 -0.000 0.000 0.333 723 Y C -1.452 174.416 175.900 -0.053 0.000 1.125 723 Y CA -1.367 56.685 58.100 -0.080 0.000 1.039 723 Y CB 1.346 39.750 38.460 -0.094 0.000 1.331 723 Y HN 0.374 nan 8.280 nan 0.000 0.456 724 K N 3.774 124.245 120.400 0.119 0.000 2.281 724 K HA 0.421 4.741 4.320 -0.000 0.000 0.272 724 K C -0.896 175.788 176.600 0.141 0.000 1.048 724 K CA -0.580 55.743 56.287 0.059 0.000 0.898 724 K CB 0.672 33.210 32.500 0.064 0.000 1.128 724 K HN 0.909 nan 8.250 nan 0.000 0.460 725 L N 3.871 125.179 121.223 0.141 0.000 2.559 725 L HA -0.015 4.325 4.340 -0.000 0.000 0.274 725 L C 0.055 176.952 176.870 0.043 0.000 1.205 725 L CA 0.219 55.148 54.840 0.149 0.000 0.907 725 L CB 0.332 42.485 42.059 0.156 0.000 1.153 725 L HN 0.759 nan 8.230 nan 0.000 0.490 726 D N 7.461 127.836 120.400 -0.043 0.000 2.343 726 D HA 0.097 4.737 4.640 -0.000 0.000 0.255 726 D C -1.573 174.700 176.300 -0.045 0.000 1.187 726 D CA -1.926 52.019 54.000 -0.090 0.000 0.875 726 D CB 1.367 42.052 40.800 -0.191 0.000 1.136 726 D HN 0.283 nan 8.370 nan 0.000 0.469 727 P HA 0.007 nan 4.420 nan 0.000 0.237 727 P C 1.261 178.676 177.300 0.191 0.000 1.178 727 P CA 0.502 63.683 63.100 0.135 0.000 0.766 727 P CB 0.586 32.352 31.700 0.110 0.000 0.876 728 I N -0.485 120.106 120.570 0.036 0.000 2.947 728 I HA 0.008 4.178 4.170 -0.000 0.000 0.263 728 I C 1.083 177.228 176.117 0.047 0.000 1.130 728 I CA 0.883 62.212 61.300 0.047 0.000 1.448 728 I CB 0.067 37.902 38.000 -0.274 0.000 1.222 728 I HN -0.026 nan 8.210 nan 0.000 0.453 729 S N 0.562 116.157 115.700 -0.175 0.000 2.257 729 S HA 0.329 4.799 4.470 -0.000 0.000 0.191 729 S C 1.214 175.504 174.600 -0.517 0.000 1.386 729 S CA 0.028 58.061 58.200 -0.277 0.000 1.233 729 S CB 0.259 63.257 63.200 -0.337 0.000 1.138 729 S HN 0.559 nan 8.310 nan 0.000 0.483 730 G N 1.726 109.858 108.800 -1.114 0.000 2.359 730 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.311 730 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.311 730 G C 0.777 175.204 174.900 -0.789 0.000 1.025 730 G CA 0.520 44.517 45.100 -1.837 0.000 0.694 730 G HN 1.288 nan 8.290 nan 0.000 0.542 731 G N -0.369 108.135 108.800 -0.492 0.000 2.380 731 G HA2 0.570 4.530 3.960 -0.000 0.000 0.242 731 G HA3 0.570 4.530 3.960 -0.000 0.000 0.242 731 G C 0.269 175.017 174.900 -0.253 0.000 1.298 731 G CA 0.485 45.376 45.100 -0.348 0.000 0.878 731 G HN 1.288 nan 8.290 nan 0.000 0.542 732 A N 2.414 125.065 122.820 -0.283 0.000 2.478 732 A HA 0.644 4.964 4.320 -0.000 0.000 0.327 732 A C 1.015 178.541 177.584 -0.097 0.000 1.431 732 A CA 0.058 51.953 52.037 -0.237 0.000 1.014 732 A CB 0.090 18.620 19.000 -0.783 0.000 1.143 732 A HN 1.340 nan 8.150 nan 0.000 0.532 733 G N 1.717 110.531 108.800 0.024 0.000 2.195 733 G HA2 0.267 4.227 3.960 -0.000 0.000 0.264 733 G HA3 0.267 4.227 3.960 -0.000 0.000 0.264 733 G C 0.664 175.586 174.900 0.037 0.000 1.148 733 G CA -0.232 44.883 45.100 0.025 0.000 1.023 733 G HN 0.752 nan 8.290 nan 0.000 0.429 734 L N 2.451 123.689 121.223 0.024 0.000 2.307 734 L HA 0.101 4.441 4.340 -0.000 0.000 0.211 734 L C 2.378 179.253 176.870 0.007 0.000 1.099 734 L CA 0.338 55.193 54.840 0.025 0.000 0.816 734 L CB -0.036 42.042 42.059 0.031 0.000 0.952 734 L HN 0.471 nan 8.230 nan 0.000 0.455 735 R N -0.109 120.334 120.500 -0.095 0.000 2.849 735 R HA 0.047 4.387 4.340 -0.000 0.000 0.238 735 R C 0.948 177.171 176.300 -0.127 0.000 1.403 735 R CA -0.014 55.964 56.100 -0.203 0.000 1.303 735 R CB 0.068 29.962 30.300 -0.677 0.000 1.191 735 R HN 0.126 nan 8.270 nan 0.000 0.533 736 V N 0.367 120.193 119.914 -0.147 0.000 3.578 736 V HA 0.055 4.175 4.120 -0.000 0.000 0.290 736 V C 0.079 175.778 176.094 -0.659 0.000 1.376 736 V CA 0.193 62.358 62.300 -0.225 0.000 1.083 736 V CB -0.020 31.772 31.823 -0.052 0.000 0.911 736 V HN 0.343 nan 8.190 nan 0.000 0.433 737 N N 0.265 118.666 118.700 -0.498 0.000 2.487 737 N HA 0.460 5.200 4.740 -0.000 0.000 0.292 737 N C -1.151 174.040 175.510 -0.531 0.000 1.108 737 N CA -0.052 52.706 53.050 -0.487 0.000 0.956 737 N CB 1.568 39.959 38.487 -0.161 0.000 1.176 737 N HN 0.149 nan 8.380 nan 0.000 0.484 738 F N 0.169 120.183 119.950 0.108 0.000 2.522 738 F HA 0.574 5.101 4.527 -0.000 0.000 0.324 738 F C 0.321 176.328 175.800 0.344 0.000 1.077 738 F CA -1.019 57.094 58.000 0.189 0.000 0.944 738 F CB 1.870 40.894 39.000 0.040 0.000 1.175 738 F HN -0.028 nan 8.300 nan 0.000 0.468 739 V N 2.910 123.219 119.914 0.660 0.000 2.925 739 V HA 0.665 4.785 4.120 -0.000 0.000 0.311 739 V C -1.198 175.133 176.094 0.395 0.000 1.104 739 V CA -0.679 61.927 62.300 0.509 0.000 0.954 739 V CB 2.480 34.486 31.823 0.304 0.000 1.022 739 V HN 0.876 nan 8.190 nan 0.000 0.427 740 R N 5.281 125.813 120.500 0.052 0.000 2.854 740 R HA 0.786 5.125 4.340 -0.000 0.000 0.271 740 R C -1.831 174.454 176.300 -0.025 0.000 0.994 740 R CA -0.930 55.072 56.100 -0.162 0.000 0.945 740 R CB 1.849 31.643 30.300 -0.843 0.000 1.194 740 R HN 0.575 nan 8.270 nan 0.000 0.476 741 L N 0.567 121.802 121.223 0.021 0.000 2.317 741 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 741 L C -0.292 176.576 176.870 -0.003 0.000 1.024 741 L CA -0.800 54.050 54.840 0.017 0.000 0.810 741 L CB 1.510 43.579 42.059 0.017 0.000 1.240 741 L HN 0.777 nan 8.230 nan 0.000 0.427 742 E N 2.908 123.110 120.200 0.003 0.000 2.191 742 E HA 0.208 4.558 4.350 -0.000 0.000 0.263 742 E C -0.822 175.789 176.600 0.019 0.000 0.881 742 E CA -0.926 55.477 56.400 0.004 0.000 0.757 742 E CB 1.597 31.300 29.700 0.004 0.000 1.147 742 E HN 0.326 nan 8.360 nan 0.000 0.414 743 K N 2.135 122.547 120.400 0.019 0.000 2.511 743 K HA 0.141 4.461 4.320 -0.000 0.000 0.280 743 K C -0.859 175.765 176.600 0.039 0.000 1.008 743 K CA 0.425 56.730 56.287 0.029 0.000 1.050 743 K CB 0.794 33.309 32.500 0.024 0.000 0.889 743 K HN 0.589 nan 8.250 nan 0.000 0.484 744 A N 3.761 126.619 122.820 0.063 0.000 2.530 744 A HA 0.523 4.843 4.320 -0.000 0.000 0.288 744 A C -0.803 176.825 177.584 0.072 0.000 1.172 744 A CA -0.710 51.365 52.037 0.063 0.000 0.733 744 A CB 0.873 19.920 19.000 0.077 0.000 1.320 744 A HN 0.614 nan 8.150 nan 0.000 0.419 745 E N 0.834 121.052 120.200 0.029 0.000 2.349 745 E HA 0.236 4.586 4.350 -0.000 0.000 0.265 745 E C 0.171 176.720 176.600 -0.085 0.000 1.064 745 E CA -0.480 55.915 56.400 -0.008 0.000 0.886 745 E CB 0.993 30.672 29.700 -0.034 0.000 1.036 745 E HN 0.655 nan 8.360 nan 0.000 0.413 746 R N 2.699 123.108 120.500 -0.153 0.000 2.640 746 R HA 0.089 4.429 4.340 -0.000 0.000 0.270 746 R C -2.121 173.922 176.300 -0.429 0.000 1.024 746 R CA -0.735 55.061 56.100 -0.506 0.000 1.085 746 R CB 0.055 30.175 30.300 -0.300 0.000 0.963 746 R HN 0.172 nan 8.270 nan 0.000 0.426 747 P HA 0.206 nan 4.420 nan 0.000 0.281 747 P C -1.259 175.921 177.300 -0.200 0.000 1.249 747 P CA -0.496 62.429 63.100 -0.292 0.000 0.810 747 P CB 0.983 32.529 31.700 -0.257 0.000 1.008 748 R N 1.824 122.254 120.500 -0.116 0.000 2.288 748 R HA 0.605 4.945 4.340 -0.000 0.000 0.326 748 R C -0.272 176.000 176.300 -0.047 0.000 0.959 748 R CA -0.482 55.574 56.100 -0.075 0.000 0.834 748 R CB 0.707 30.975 30.300 -0.053 0.000 1.157 748 R HN 0.467 nan 8.270 nan 0.000 0.470 749 L N 2.748 123.949 121.223 -0.036 0.000 2.283 749 L HA 0.655 4.995 4.340 -0.000 0.000 0.259 749 L C -1.942 174.932 176.870 0.007 0.000 1.027 749 L CA -2.233 52.602 54.840 -0.008 0.000 0.828 749 L CB 1.605 43.659 42.059 -0.007 0.000 1.380 749 L HN 0.404 nan 8.230 nan 0.000 0.425 750 P HA 0.141 nan 4.420 nan 0.000 0.273 750 P C -0.906 176.407 177.300 0.022 0.000 1.250 750 P CA -0.546 62.568 63.100 0.024 0.000 0.793 750 P CB 0.591 32.313 31.700 0.035 0.000 1.011 751 S N 0.125 115.834 115.700 0.015 0.000 2.499 751 S HA 0.135 4.605 4.470 -0.000 0.000 0.275 751 S C 1.185 175.797 174.600 0.019 0.000 1.257 751 S CA -0.570 57.638 58.200 0.013 0.000 1.050 751 S CB -0.437 62.764 63.200 0.002 0.000 0.937 751 S HN 0.405 nan 8.310 nan 0.000 0.490 752 L N 4.246 125.490 121.223 0.034 0.000 2.093 752 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 752 L C 2.584 179.462 176.870 0.014 0.000 1.085 752 L CA 1.340 56.210 54.840 0.050 0.000 0.755 752 L CB -0.686 41.426 42.059 0.087 0.000 0.904 752 L HN 0.723 nan 8.230 nan 0.000 0.435 753 T N -0.750 113.799 114.554 -0.010 0.000 2.777 753 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 753 T C 1.750 176.391 174.700 -0.099 0.000 1.040 753 T CA 1.200 63.259 62.100 -0.068 0.000 1.141 753 T CB -0.476 68.363 68.868 -0.049 0.000 0.868 753 T HN 0.557 nan 8.240 nan 0.000 0.444 754 G N 1.595 110.362 108.800 -0.055 0.000 2.514 754 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 754 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 754 G C 1.488 176.352 174.900 -0.061 0.000 1.198 754 G CA 0.707 45.775 45.100 -0.052 0.000 0.780 754 G HN 0.434 nan 8.290 nan 0.000 0.565 755 L N 0.781 121.983 121.223 -0.035 0.000 2.017 755 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 755 L C 3.434 180.265 176.870 -0.066 0.000 1.073 755 L CA 1.137 55.966 54.840 -0.019 0.000 0.745 755 L CB -0.498 41.576 42.059 0.024 0.000 0.894 755 L HN 0.307 nan 8.230 nan 0.000 0.432 756 A N -0.218 122.527 122.820 -0.126 0.000 2.076 756 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 756 A C 2.203 179.431 177.584 -0.594 0.000 1.160 756 A CA 1.659 53.461 52.037 -0.391 0.000 0.653 756 A CB -0.399 18.308 19.000 -0.489 0.000 0.801 756 A HN 0.367 nan 8.150 nan 0.000 0.455 757 K N -0.626 119.569 120.400 -0.342 0.000 2.459 757 K HA 0.056 4.376 4.320 -0.000 0.000 0.193 757 K C 0.118 176.637 176.600 -0.135 0.000 1.030 757 K CA -0.168 55.956 56.287 -0.272 0.000 1.026 757 K CB 0.100 32.490 32.500 -0.183 0.000 0.809 757 K HN 0.368 nan 8.250 nan 0.000 0.504 758 R N 2.008 122.461 120.500 -0.079 0.000 2.502 758 R HA 0.005 4.345 4.340 -0.000 0.000 0.292 758 R C -2.420 173.909 176.300 0.049 0.000 0.998 758 R CA -1.016 55.084 56.100 -0.001 0.000 1.056 758 R CB -0.200 30.120 30.300 0.033 0.000 0.939 758 R HN -0.028 nan 8.270 nan 0.000 0.411 759 P HA -0.033 nan 4.420 nan 0.000 0.271 759 P C -1.034 176.385 177.300 0.199 0.000 1.218 759 P CA -0.241 62.925 63.100 0.110 0.000 0.780 759 P CB 0.435 32.172 31.700 0.060 0.000 0.901 760 F N 2.443 122.454 119.950 0.101 0.000 2.411 760 F HA 0.345 4.872 4.527 -0.000 0.000 0.355 760 F C -0.205 175.668 175.800 0.122 0.000 1.117 760 F CA -0.582 57.504 58.000 0.144 0.000 1.139 760 F CB 0.502 39.623 39.000 0.202 0.000 1.120 760 F HN 0.154 nan 8.300 nan 0.000 0.493 761 D N 4.676 124.759 120.400 -0.529 0.000 2.481 761 D HA 0.190 4.830 4.640 -0.000 0.000 0.246 761 D C -0.061 175.902 176.300 -0.562 0.000 1.109 761 D CA -0.371 53.381 54.000 -0.413 0.000 0.845 761 D CB 1.035 41.738 40.800 -0.162 0.000 1.160 761 D HN 0.688 nan 8.370 nan 0.000 0.534 762 E N 3.323 123.199 120.200 -0.539 0.000 2.438 762 E HA 0.098 4.448 4.350 -0.000 0.000 0.192 762 E C 0.656 177.106 176.600 -0.251 0.000 1.110 762 E CA -0.275 55.795 56.400 -0.551 0.000 0.893 762 E CB -0.066 29.373 29.700 -0.434 0.000 0.990 762 E HN 0.390 nan 8.360 nan 0.000 0.490 763 R N -0.531 119.923 120.500 -0.076 0.000 3.853 763 R HA -0.311 4.029 4.340 -0.000 0.000 0.440 763 R C 0.632 176.911 176.300 -0.035 0.000 0.241 763 R CA 2.233 58.331 56.100 -0.003 0.000 1.395 763 R CB -1.201 29.167 30.300 0.113 0.000 0.984 763 R HN 0.453 nan 8.270 nan 0.000 0.570 764 R N 0.000 120.494 120.500 -0.009 0.000 2.786 764 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 764 R CA 0.000 nan 56.100 nan 0.000 0.921 764 R CB 0.000 nan 30.300 nan 0.000 0.687 764 R HN 0.000 nan 8.270 nan 0.000 0.535