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 2vpy_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 0.000 177.438 177.584 -0.243 0.000 1.274 30 A CA 0.000 51.946 52.037 -0.151 0.000 0.836 30 A CB 0.000 18.939 19.000 -0.101 0.000 0.831 31 P HA 0.084 nan 4.420 nan 0.000 0.266 31 P C 0.964 177.808 177.300 -0.759 0.000 1.195 31 P CA -0.043 62.682 63.100 -0.626 0.000 0.768 31 P CB 0.097 31.169 31.700 -1.047 0.000 0.838 32 W N 3.324 124.195 121.300 -0.716 0.000 2.358 32 W HA -0.234 4.426 4.660 -0.000 0.000 0.303 32 W C 1.241 177.481 176.519 -0.466 0.000 1.208 32 W CA 1.151 58.059 57.345 -0.728 0.000 1.274 32 W CB -1.805 26.995 29.460 -1.099 0.000 1.138 32 W HN 0.470 nan 8.180 nan 0.000 0.515 33 Y N 0.514 119.899 120.300 -1.524 0.000 2.574 33 Y HA 0.405 4.955 4.550 -0.000 0.000 0.294 33 Y C 2.376 177.937 175.900 -0.565 0.000 1.142 33 Y CA 0.964 58.291 58.100 -1.288 0.000 1.314 33 Y CB -1.509 36.029 38.460 -1.536 0.000 0.991 33 Y HN -0.032 nan 8.280 nan 0.000 0.555 34 A N -0.286 122.137 122.820 -0.662 0.000 2.115 34 A HA 0.098 4.418 4.320 -0.000 0.000 0.211 34 A C 1.110 178.555 177.584 -0.231 0.000 1.169 34 A CA -0.193 51.642 52.037 -0.337 0.000 0.787 34 A CB -0.193 18.592 19.000 -0.358 0.000 0.858 34 A HN 0.489 nan 8.150 nan 0.000 0.474 35 Q N 1.121 120.765 119.800 -0.259 0.000 2.312 35 Q HA 0.212 4.552 4.340 -0.000 0.000 0.236 35 Q C -0.254 175.704 176.000 -0.070 0.000 0.965 35 Q CA -0.600 55.118 55.803 -0.141 0.000 0.894 35 Q CB 0.576 29.234 28.738 -0.133 0.000 1.225 35 Q HN 0.601 nan 8.270 nan 0.000 0.478 36 E N 0.974 121.160 120.200 -0.024 0.000 2.502 36 E HA -0.004 4.346 4.350 -0.000 0.000 0.261 36 E C -0.844 175.797 176.600 0.069 0.000 0.974 36 E CA 0.238 56.647 56.400 0.014 0.000 0.936 36 E CB 0.291 30.001 29.700 0.017 0.000 0.926 36 E HN 0.171 nan 8.360 nan 0.000 0.459 37 V N 2.350 122.320 119.914 0.093 0.000 3.074 37 V HA 0.468 4.588 4.120 -0.000 0.000 0.314 37 V C -0.315 175.855 176.094 0.127 0.000 1.117 37 V CA -1.105 61.294 62.300 0.165 0.000 1.014 37 V CB 2.212 34.195 31.823 0.267 0.000 1.057 37 V HN 0.606 nan 8.190 nan 0.000 0.438 38 K N 1.303 121.786 120.400 0.138 0.000 2.507 38 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 38 K C -0.980 175.669 176.600 0.083 0.000 0.943 38 K CA -0.346 55.992 56.287 0.085 0.000 0.794 38 K CB 2.066 34.599 32.500 0.056 0.000 1.188 38 K HN 0.632 nan 8.250 nan 0.000 0.428 39 S N 0.605 116.328 115.700 0.038 0.000 2.722 39 S HA 0.771 5.241 4.470 -0.000 0.000 0.292 39 S C -0.252 174.261 174.600 -0.146 0.000 1.135 39 S CA -0.745 57.424 58.200 -0.052 0.000 1.003 39 S CB 1.542 64.703 63.200 -0.066 0.000 1.067 39 S HN 0.457 nan 8.310 nan 0.000 0.546 40 V N -1.092 118.678 119.914 -0.241 0.000 3.167 40 V HA 0.504 4.624 4.120 -0.000 0.000 0.293 40 V C -2.061 173.862 176.094 -0.285 0.000 1.379 40 V CA -1.127 61.034 62.300 -0.231 0.000 1.019 40 V CB 0.803 32.547 31.823 -0.131 0.000 1.115 40 V HN 0.857 nan 8.190 nan 0.000 0.442 41 Y N 1.593 121.824 120.300 -0.115 0.000 2.365 41 Y HA 0.721 5.271 4.550 -0.000 0.000 0.340 41 Y C 0.358 176.251 175.900 -0.011 0.000 1.016 41 Y CA 0.310 58.340 58.100 -0.116 0.000 1.196 41 Y CB 1.717 40.104 38.460 -0.121 0.000 1.167 41 Y HN 0.854 nan 8.280 nan 0.000 0.509 42 Q N 3.254 123.194 119.800 0.234 0.000 2.309 42 Q HA 0.452 4.792 4.340 -0.000 0.000 0.273 42 Q C -1.366 174.786 176.000 0.254 0.000 1.040 42 Q CA -0.526 55.390 55.803 0.188 0.000 0.834 42 Q CB 1.460 30.250 28.738 0.086 0.000 1.345 42 Q HN 0.614 nan 8.270 nan 0.000 0.414 43 I N 1.588 122.301 120.570 0.239 0.000 2.638 43 I HA 0.197 4.367 4.170 -0.000 0.000 0.286 43 I C 0.332 176.576 176.117 0.213 0.000 1.088 43 I CA -0.720 60.709 61.300 0.214 0.000 1.397 43 I CB 0.794 38.899 38.000 0.175 0.000 1.414 43 I HN 0.644 nan 8.210 nan 0.000 0.566 44 C N 5.509 124.866 119.300 0.095 0.000 2.435 44 C HA 0.212 4.672 4.460 -0.000 0.000 0.375 44 C C 1.178 175.981 174.990 -0.311 0.000 1.281 44 C CA -0.275 58.674 59.018 -0.115 0.000 1.963 44 C CB 0.233 27.951 27.740 -0.037 0.000 2.490 44 C HN 0.894 nan 8.230 nan 0.000 0.557 45 E N 2.551 122.237 120.200 -0.857 0.000 2.465 45 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 45 E C 1.735 178.106 176.600 -0.382 0.000 1.028 45 E CA 0.708 56.821 56.400 -0.479 0.000 0.899 45 E CB -0.109 29.361 29.700 -0.384 0.000 1.032 45 E HN 1.010 nan 8.360 nan 0.000 0.468 46 G N 0.185 108.745 108.800 -0.400 0.000 2.503 46 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.221 46 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.221 46 G C 0.889 175.640 174.900 -0.248 0.000 1.131 46 G CA 1.221 46.161 45.100 -0.266 0.000 0.756 46 G HN 0.516 nan 8.290 nan 0.000 0.572 47 C N -4.295 114.876 119.300 -0.215 0.000 3.266 47 C HA 0.658 5.117 4.460 -0.000 0.000 0.369 47 C C 0.899 175.814 174.990 -0.124 0.000 1.580 47 C CA -1.186 57.614 59.018 -0.364 0.000 1.165 47 C CB -0.092 27.457 27.740 -0.319 0.000 1.835 47 C HN 0.113 nan 8.230 nan 0.000 0.433 48 F N 0.134 120.197 119.950 0.189 0.000 2.811 48 F HA 0.165 4.692 4.527 -0.000 0.000 0.301 48 F C 1.936 177.830 175.800 0.157 0.000 1.151 48 F CA -0.020 58.069 58.000 0.148 0.000 1.412 48 F CB 0.008 39.092 39.000 0.140 0.000 1.113 48 F HN 0.697 nan 8.300 nan 0.000 0.579 49 W N 2.302 123.609 121.300 0.011 0.000 2.425 49 W HA -0.098 4.562 4.660 -0.000 0.000 0.277 49 W C 0.573 177.103 176.519 0.018 0.000 1.231 49 W CA 1.020 58.294 57.345 -0.118 0.000 1.248 49 W CB -0.010 29.301 29.460 -0.247 0.000 1.117 49 W HN 0.035 nan 8.180 nan 0.000 0.568 50 R N -0.342 120.270 120.500 0.187 0.000 3.264 50 R HA -0.206 4.134 4.340 -0.000 0.000 0.251 50 R C -0.031 176.342 176.300 0.123 0.000 0.971 50 R CA 0.529 56.700 56.100 0.119 0.000 0.658 50 R CB -2.668 27.683 30.300 0.084 0.000 1.095 50 R HN -0.032 nan 8.270 nan 0.000 0.443 51 C N 0.170 119.577 119.300 0.178 0.000 2.679 51 C HA 0.296 4.756 4.460 -0.000 0.000 0.417 51 C C 1.869 176.936 174.990 0.128 0.000 1.302 51 C CA -0.063 59.057 59.018 0.170 0.000 1.973 51 C CB 0.388 28.243 27.740 0.191 0.000 2.715 51 C HN 0.632 nan 8.230 nan 0.000 0.628 52 G N 2.330 111.170 108.800 0.067 0.000 2.370 52 G HA2 0.556 4.516 3.960 -0.000 0.000 0.272 52 G HA3 0.556 4.516 3.960 -0.000 0.000 0.272 52 G C -0.563 174.459 174.900 0.204 0.000 1.208 52 G CA -0.289 44.871 45.100 0.100 0.000 0.856 52 G HN 0.908 nan 8.290 nan 0.000 0.500 53 I N -0.649 120.176 120.570 0.425 0.000 3.074 53 I HA 0.743 4.913 4.170 -0.000 0.000 0.310 53 I C -0.864 175.468 176.117 0.358 0.000 1.153 53 I CA -1.423 60.116 61.300 0.399 0.000 0.993 53 I CB 2.361 40.496 38.000 0.224 0.000 1.237 53 I HN 0.225 nan 8.210 nan 0.000 0.443 54 V N 2.597 122.609 119.914 0.162 0.000 2.483 54 V HA 0.802 4.921 4.120 -0.000 0.000 0.295 54 V C 0.298 176.228 176.094 -0.273 0.000 1.035 54 V CA -0.393 61.823 62.300 -0.139 0.000 0.896 54 V CB 1.408 33.066 31.823 -0.274 0.000 0.986 54 V HN 0.939 nan 8.190 nan 0.000 0.447 55 A N 3.984 126.620 122.820 -0.307 0.000 2.318 55 A HA 0.707 5.027 4.320 -0.000 0.000 0.324 55 A C -0.531 176.843 177.584 -0.349 0.000 1.170 55 A CA -0.576 51.291 52.037 -0.284 0.000 0.810 55 A CB 0.445 19.351 19.000 -0.157 0.000 1.198 55 A HN 0.884 nan 8.150 nan 0.000 0.484 56 H N 1.767 120.806 119.070 -0.051 0.000 2.641 56 H HA 0.556 5.112 4.556 -0.000 0.000 0.295 56 H C 0.131 175.450 175.328 -0.016 0.000 1.070 56 H CA 0.155 56.202 56.048 -0.002 0.000 1.257 56 H CB 1.302 31.088 29.762 0.040 0.000 1.393 56 H HN 0.797 nan 8.280 nan 0.000 0.464 57 A N 2.978 125.887 122.820 0.148 0.000 2.320 57 A HA 0.607 4.927 4.320 -0.000 0.000 0.334 57 A C -0.393 177.321 177.584 0.218 0.000 1.147 57 A CA -0.669 51.453 52.037 0.141 0.000 0.820 57 A CB 1.354 20.419 19.000 0.108 0.000 1.218 57 A HN 0.442 nan 8.150 nan 0.000 0.482 58 V N 2.277 122.340 119.914 0.248 0.000 2.398 58 V HA 0.599 4.719 4.120 -0.000 0.000 0.282 58 V C 0.851 177.029 176.094 0.141 0.000 1.014 58 V CA 0.701 63.141 62.300 0.233 0.000 0.838 58 V CB 0.135 32.147 31.823 0.315 0.000 1.018 58 V HN 2.149 nan 8.190 nan 0.000 0.432 59 G N 5.164 114.006 108.800 0.071 0.000 2.528 59 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.262 59 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.262 59 G C 0.363 175.224 174.900 -0.064 0.000 1.200 59 G CA 0.535 45.641 45.100 0.009 0.000 0.951 59 G HN 0.684 nan 8.290 nan 0.000 0.566 60 N N 1.120 119.714 118.700 -0.177 0.000 2.623 60 N HA 0.353 5.093 4.740 -0.000 0.000 0.263 60 N C 0.261 175.404 175.510 -0.611 0.000 1.218 60 N CA 0.203 52.964 53.050 -0.482 0.000 0.949 60 N CB 0.048 38.294 38.487 -0.402 0.000 1.270 60 N HN 0.591 nan 8.380 nan 0.000 0.507 61 R N -0.240 120.043 120.500 -0.362 0.000 2.522 61 R HA 0.171 4.511 4.340 -0.000 0.000 0.273 61 R C -1.863 174.194 176.300 -0.405 0.000 1.133 61 R CA -0.473 55.312 56.100 -0.524 0.000 0.969 61 R CB 0.770 30.549 30.300 -0.869 0.000 1.235 61 R HN -0.181 nan 8.270 nan 0.000 0.433 62 V N 6.862 126.645 119.914 -0.217 0.000 2.387 62 V HA 0.142 4.262 4.120 -0.000 0.000 0.260 62 V C 0.206 176.055 176.094 -0.408 0.000 1.054 62 V CA 0.165 62.366 62.300 -0.165 0.000 0.967 62 V CB 0.423 32.236 31.823 -0.017 0.000 1.036 62 V HN 0.816 nan 8.190 nan 0.000 0.481 63 Y N 3.194 123.257 120.300 -0.395 0.000 2.420 63 Y HA 0.176 4.726 4.550 -0.000 0.000 0.292 63 Y C 1.258 176.705 175.900 -0.755 0.000 1.119 63 Y CA 0.566 58.270 58.100 -0.661 0.000 1.229 63 Y CB 0.482 38.309 38.460 -1.055 0.000 1.026 63 Y HN 0.439 nan 8.280 nan 0.000 0.554 64 K N -0.672 119.409 120.400 -0.533 0.000 2.546 64 K HA 0.612 4.932 4.320 -0.000 0.000 0.264 64 K C -1.995 174.567 176.600 -0.063 0.000 0.937 64 K CA -0.672 55.436 56.287 -0.299 0.000 0.833 64 K CB 2.100 34.362 32.500 -0.397 0.000 1.378 64 K HN -0.260 nan 8.250 nan 0.000 0.432 65 V N 1.857 121.781 119.914 0.015 0.000 3.007 65 V HA 0.710 4.829 4.120 -0.000 0.000 0.311 65 V C -1.359 174.788 176.094 0.088 0.000 1.120 65 V CA -0.465 61.844 62.300 0.014 0.000 0.980 65 V CB 2.248 34.090 31.823 0.032 0.000 1.033 65 V HN 0.905 nan 8.190 nan 0.000 0.429 66 E N 1.144 121.398 120.200 0.090 0.000 2.413 66 E HA 0.680 5.030 4.350 -0.000 0.000 0.277 66 E C -0.106 176.603 176.600 0.181 0.000 0.958 66 E CA 0.005 56.495 56.400 0.150 0.000 0.779 66 E CB 2.139 31.973 29.700 0.224 0.000 1.278 66 E HN 0.894 nan 8.360 nan 0.000 0.456 67 G N 0.509 109.409 108.800 0.166 0.000 2.621 67 G HA2 0.435 4.395 3.960 -0.000 0.000 0.271 67 G HA3 0.435 4.395 3.960 -0.000 0.000 0.271 67 G C -1.160 173.910 174.900 0.283 0.000 1.236 67 G CA 0.021 45.227 45.100 0.176 0.000 0.958 67 G HN 0.497 nan 8.290 nan 0.000 0.512 68 Y N -2.697 117.656 120.300 0.089 0.000 2.504 68 Y HA 0.540 5.090 4.550 -0.000 0.000 0.344 68 Y C 0.903 176.828 175.900 0.042 0.000 1.023 68 Y CA -1.152 57.006 58.100 0.096 0.000 1.020 68 Y CB 1.238 39.807 38.460 0.182 0.000 1.282 68 Y HN 0.461 nan 8.280 nan 0.000 0.454 69 E N 2.537 122.833 120.200 0.161 0.000 2.026 69 E HA -0.314 4.036 4.350 -0.000 0.000 0.206 69 E C 2.161 178.733 176.600 -0.046 0.000 1.028 69 E CA 2.165 58.594 56.400 0.048 0.000 0.845 69 E CB -0.648 29.097 29.700 0.075 0.000 0.772 69 E HN 0.924 nan 8.360 nan 0.000 0.462 70 A N 1.737 124.559 122.820 0.003 0.000 1.903 70 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 70 A C 1.416 178.816 177.584 -0.307 0.000 1.191 70 A CA 1.374 53.354 52.037 -0.094 0.000 0.638 70 A CB -1.007 17.995 19.000 0.004 0.000 0.823 70 A HN 0.319 nan 8.150 nan 0.000 0.451 71 N N 0.540 118.916 118.700 -0.540 0.000 2.374 71 N HA 0.076 4.816 4.740 -0.000 0.000 0.269 71 N C -2.007 173.143 175.510 -0.600 0.000 1.310 71 N CA -0.805 51.803 53.050 -0.737 0.000 0.877 71 N CB 0.687 38.530 38.487 -1.075 0.000 1.096 71 N HN 0.046 nan 8.380 nan 0.000 0.484 72 P HA -0.118 nan 4.420 nan 0.000 0.228 72 P C 0.277 177.382 177.300 -0.325 0.000 1.151 72 P CA 1.214 63.888 63.100 -0.710 0.000 0.770 72 P CB 0.281 31.227 31.700 -1.257 0.000 0.786 73 K N -0.639 119.626 120.400 -0.225 0.000 2.108 73 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 73 K C 2.236 178.913 176.600 0.128 0.000 1.036 73 K CA 1.567 57.936 56.287 0.138 0.000 0.965 73 K CB -0.318 32.300 32.500 0.196 0.000 0.804 73 K HN 0.145 nan 8.250 nan 0.000 0.454 74 S N 0.751 116.447 115.700 -0.006 0.000 2.406 74 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 74 S C 0.680 175.269 174.600 -0.018 0.000 1.030 74 S CA 0.120 58.325 58.200 0.009 0.000 0.958 74 S CB -0.259 62.937 63.200 -0.007 0.000 0.811 74 S HN 0.233 nan 8.310 nan 0.000 0.489 75 R N 1.363 121.807 120.500 -0.093 0.000 3.502 75 R HA -0.178 4.162 4.340 -0.000 0.000 0.266 75 R C 1.109 177.408 176.300 -0.002 0.000 1.077 75 R CA 0.282 56.345 56.100 -0.061 0.000 0.718 75 R CB -2.437 27.847 30.300 -0.027 0.000 1.120 75 R HN 0.919 nan 8.270 nan 0.000 0.457 76 G N -1.294 107.521 108.800 0.024 0.000 2.254 76 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.225 76 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.225 76 G C 0.207 175.148 174.900 0.068 0.000 1.003 76 G CA 0.208 45.351 45.100 0.072 0.000 0.622 76 G HN 0.289 nan 8.290 nan 0.000 0.507 77 R N -0.362 120.165 120.500 0.046 0.000 2.608 77 R HA 0.907 5.247 4.340 -0.000 0.000 0.255 77 R C -0.807 175.519 176.300 0.043 0.000 1.086 77 R CA -0.611 55.512 56.100 0.039 0.000 1.125 77 R CB 1.134 31.446 30.300 0.020 0.000 1.193 77 R HN 0.428 nan 8.270 nan 0.000 0.553 78 L N -0.065 121.174 121.223 0.028 0.000 2.545 78 L HA 0.241 4.581 4.340 -0.000 0.000 0.258 78 L C -0.485 176.377 176.870 -0.013 0.000 0.942 78 L CA -0.657 54.196 54.840 0.021 0.000 0.855 78 L CB 1.532 43.614 42.059 0.038 0.000 1.374 78 L HN 1.019 nan 8.230 nan 0.000 0.411 79 C N 2.657 121.935 119.300 -0.038 0.000 2.470 79 C HA 0.591 5.051 4.460 -0.000 0.000 0.350 79 C C -0.944 174.003 174.990 -0.073 0.000 1.341 79 C CA -0.803 58.172 59.018 -0.072 0.000 2.440 79 C CB 0.876 28.548 27.740 -0.113 0.000 2.295 79 C HN 0.811 nan 8.230 nan 0.000 0.645 80 P HA -0.155 nan 4.420 nan 0.000 0.215 80 P C 1.441 178.671 177.300 -0.118 0.000 1.153 80 P CA 1.839 64.880 63.100 -0.099 0.000 0.853 80 P CB -0.116 31.517 31.700 -0.112 0.000 0.788 81 R N -0.440 119.976 120.500 -0.139 0.000 2.120 81 R HA -0.032 4.308 4.340 -0.000 0.000 0.234 81 R C 2.746 178.975 176.300 -0.118 0.000 1.123 81 R CA 1.514 57.522 56.100 -0.153 0.000 0.975 81 R CB -1.182 29.007 30.300 -0.184 0.000 0.866 81 R HN 0.275 nan 8.270 nan 0.000 0.446 82 G N 0.427 109.176 108.800 -0.086 0.000 2.402 82 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 82 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 82 G C 1.290 176.178 174.900 -0.021 0.000 1.162 82 G CA 0.150 45.223 45.100 -0.046 0.000 0.777 82 G HN 0.177 nan 8.290 nan 0.000 0.539 83 Q N 0.303 120.083 119.800 -0.035 0.000 2.119 83 Q HA -0.040 4.300 4.340 -0.000 0.000 0.201 83 Q C 2.671 178.633 176.000 -0.063 0.000 0.972 83 Q CA 1.476 57.261 55.803 -0.030 0.000 0.847 83 Q CB -0.516 28.204 28.738 -0.031 0.000 0.903 83 Q HN 0.472 nan 8.270 nan 0.000 0.433 84 G N 0.050 108.790 108.800 -0.100 0.000 2.838 84 G HA2 0.119 4.079 3.960 -0.000 0.000 0.210 84 G HA3 0.119 4.079 3.960 -0.000 0.000 0.210 84 G C 1.512 176.337 174.900 -0.125 0.000 1.153 84 G CA 0.561 45.570 45.100 -0.150 0.000 0.778 84 G HN 0.367 nan 8.290 nan 0.000 0.539 85 A N 1.924 124.703 122.820 -0.068 0.000 1.958 85 A HA -0.066 4.254 4.320 -0.000 0.000 0.221 85 A C 0.572 178.197 177.584 0.069 0.000 1.178 85 A CA 1.867 53.898 52.037 -0.011 0.000 0.642 85 A CB -1.137 17.852 19.000 -0.018 0.000 0.816 85 A HN 0.362 nan 8.150 nan 0.000 0.453 86 P HA -0.145 nan 4.420 nan 0.000 0.225 86 P C 1.352 178.588 177.300 -0.107 0.000 1.148 86 P CA 1.457 64.549 63.100 -0.014 0.000 0.779 86 P CB -0.060 31.643 31.700 0.005 0.000 0.780 87 Q N -0.913 118.811 119.800 -0.127 0.000 2.364 87 Q HA -0.085 4.255 4.340 -0.000 0.000 0.207 87 Q C 1.487 177.357 176.000 -0.216 0.000 0.970 87 Q CA 1.877 57.589 55.803 -0.151 0.000 0.888 87 Q CB -1.906 26.650 28.738 -0.304 0.000 0.951 87 Q HN 0.031 nan 8.270 nan 0.000 0.469 88 T N 0.196 114.635 114.554 -0.192 0.000 2.833 88 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 88 T C 1.467 175.994 174.700 -0.288 0.000 1.054 88 T CA 1.734 63.733 62.100 -0.167 0.000 1.135 88 T CB -0.482 68.332 68.868 -0.089 0.000 0.869 88 T HN 0.534 nan 8.240 nan 0.000 0.466 89 T N 0.697 114.937 114.554 -0.524 0.000 2.915 89 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 89 T C 0.590 174.589 174.700 -1.168 0.000 1.071 89 T CA 0.948 62.557 62.100 -0.819 0.000 1.132 89 T CB -0.298 67.832 68.868 -1.230 0.000 0.878 89 T HN 0.601 nan 8.240 nan 0.000 0.479 90 Y N 0.813 120.726 120.300 -0.646 0.000 2.736 90 Y HA 0.418 4.968 4.550 -0.000 0.000 0.293 90 Y C 0.036 175.447 175.900 -0.815 0.000 1.062 90 Y CA -1.441 55.743 58.100 -1.528 0.000 1.247 90 Y CB 0.277 38.118 38.460 -1.032 0.000 1.200 90 Y HN -0.017 nan 8.280 nan 0.000 0.552 91 D N 2.372 122.622 120.400 -0.250 0.000 2.329 91 D HA 0.177 4.817 4.640 -0.000 0.000 0.232 91 D C -1.711 174.783 176.300 0.324 0.000 1.088 91 D CA -2.826 51.234 54.000 0.100 0.000 0.835 91 D CB 1.920 42.732 40.800 0.020 0.000 1.078 91 D HN -0.003 nan 8.370 nan 0.000 0.495 92 P HA -0.106 nan 4.420 nan 0.000 0.222 92 P C 0.007 177.361 177.300 0.090 0.000 1.142 92 P CA 0.894 64.163 63.100 0.283 0.000 0.788 92 P CB 0.497 32.321 31.700 0.206 0.000 0.767 93 D N -0.924 119.517 120.400 0.069 0.000 2.379 93 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 93 D C 1.088 177.367 176.300 -0.035 0.000 1.065 93 D CA 0.007 54.004 54.000 -0.006 0.000 0.848 93 D CB -0.190 40.608 40.800 -0.003 0.000 0.949 93 D HN 0.365 nan 8.370 nan 0.000 0.509 94 R N 1.474 121.975 120.500 0.002 0.000 2.522 94 R HA 0.107 4.447 4.340 -0.000 0.000 0.284 94 R C 0.062 176.305 176.300 -0.096 0.000 1.032 94 R CA -0.258 55.830 56.100 -0.020 0.000 1.049 94 R CB 0.342 30.669 30.300 0.043 0.000 0.956 94 R HN -0.106 nan 8.270 nan 0.000 0.422 95 L N 4.030 125.194 121.223 -0.098 0.000 2.578 95 L HA -0.086 4.254 4.340 -0.000 0.000 0.279 95 L C 0.781 177.573 176.870 -0.130 0.000 1.227 95 L CA 0.617 55.375 54.840 -0.136 0.000 0.900 95 L CB 0.310 42.295 42.059 -0.122 0.000 1.144 95 L HN 0.862 nan 8.230 nan 0.000 0.496 96 K N 2.229 122.510 120.400 -0.198 0.000 2.362 96 K HA 0.215 4.535 4.320 -0.000 0.000 0.203 96 K C -0.006 176.557 176.600 -0.061 0.000 1.198 96 K CA -0.158 56.037 56.287 -0.155 0.000 0.908 96 K CB 0.393 32.599 32.500 -0.490 0.000 1.236 96 K HN 0.403 nan 8.250 nan 0.000 0.487 97 R N 1.243 121.656 120.500 -0.145 0.000 2.720 97 R HA 0.399 4.739 4.340 -0.000 0.000 0.272 97 R C -2.757 173.349 176.300 -0.322 0.000 0.991 97 R CA -2.267 53.720 56.100 -0.188 0.000 1.010 97 R CB 0.014 30.218 30.300 -0.161 0.000 1.141 97 R HN -0.130 nan 8.270 nan 0.000 0.494 98 P HA 0.134 nan 4.420 nan 0.000 0.270 98 P C -0.779 176.312 177.300 -0.348 0.000 1.223 98 P CA 0.052 62.806 63.100 -0.577 0.000 0.785 98 P CB 0.578 31.804 31.700 -0.789 0.000 0.923 99 L N 1.720 122.765 121.223 -0.296 0.000 2.445 99 L HA 0.545 4.885 4.340 -0.000 0.000 0.262 99 L C -0.230 176.586 176.870 -0.090 0.000 0.974 99 L CA -0.628 54.104 54.840 -0.180 0.000 0.822 99 L CB 1.964 43.874 42.059 -0.248 0.000 1.339 99 L HN 0.197 nan 8.230 nan 0.000 0.409 100 I N 1.706 122.263 120.570 -0.022 0.000 2.569 100 I HA 0.429 4.599 4.170 -0.000 0.000 0.296 100 I C 0.053 176.155 176.117 -0.025 0.000 1.028 100 I CA -0.730 60.528 61.300 -0.071 0.000 1.082 100 I CB 2.217 40.054 38.000 -0.272 0.000 1.264 100 I HN 0.520 nan 8.210 nan 0.000 0.429 101 R N 3.898 124.330 120.500 -0.113 0.000 2.458 101 R HA 0.184 4.524 4.340 -0.000 0.000 0.303 101 R C -0.684 175.445 176.300 -0.284 0.000 1.013 101 R CA -0.239 55.630 56.100 -0.384 0.000 1.026 101 R CB 0.539 30.663 30.300 -0.293 0.000 0.948 101 R HN 0.416 nan 8.270 nan 0.000 0.417 102 V N 4.846 124.573 119.914 -0.312 0.000 2.584 102 V HA -0.109 4.011 4.120 -0.000 0.000 0.303 102 V C 0.721 176.721 176.094 -0.157 0.000 1.035 102 V CA 0.684 62.865 62.300 -0.197 0.000 1.172 102 V CB 0.597 32.309 31.823 -0.184 0.000 0.896 102 V HN 0.652 nan 8.190 nan 0.000 0.486 103 E N 3.397 123.533 120.200 -0.105 0.000 2.415 103 E HA 0.326 4.676 4.350 -0.000 0.000 0.263 103 E C 1.109 177.666 176.600 -0.071 0.000 0.995 103 E CA 1.072 57.428 56.400 -0.072 0.000 0.915 103 E CB 0.671 30.348 29.700 -0.039 0.000 0.951 103 E HN 0.941 nan 8.360 nan 0.000 0.449 104 G N 2.859 111.619 108.800 -0.066 0.000 2.234 104 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.235 104 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.235 104 G C 0.254 175.104 174.900 -0.083 0.000 0.997 104 G CA 0.369 45.432 45.100 -0.062 0.000 0.623 104 G HN 0.797 nan 8.290 nan 0.000 0.514 105 S N 0.583 116.214 115.700 -0.116 0.000 2.525 105 S HA 0.697 5.167 4.470 -0.000 0.000 0.278 105 S C 0.025 174.532 174.600 -0.155 0.000 1.234 105 S CA -0.341 57.773 58.200 -0.144 0.000 1.058 105 S CB 2.266 65.351 63.200 -0.192 0.000 0.983 105 S HN 0.355 nan 8.310 nan 0.000 0.495 106 Q N 1.560 121.267 119.800 -0.154 0.000 2.395 106 Q HA 0.234 4.574 4.340 -0.000 0.000 0.271 106 Q C 0.000 175.854 176.000 -0.243 0.000 1.026 106 Q CA 0.543 56.243 55.803 -0.171 0.000 0.900 106 Q CB 0.342 28.977 28.738 -0.173 0.000 1.266 106 Q HN 0.663 nan 8.270 nan 0.000 0.430 107 R N 0.789 121.147 120.500 -0.236 0.000 2.370 107 R HA 0.358 4.698 4.340 -0.000 0.000 0.309 107 R C 0.737 176.540 176.300 -0.828 0.000 1.059 107 R CA 1.014 56.938 56.100 -0.292 0.000 0.981 107 R CB 0.099 30.381 30.300 -0.031 0.000 0.972 107 R HN 0.933 nan 8.270 nan 0.000 0.437 108 G N 2.527 110.718 108.800 -1.015 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 0.011 174.596 174.900 -0.524 0.000 1.435 108 G CA -0.284 43.927 45.100 -1.483 0.000 1.016 108 G HN 0.590 nan 8.290 nan 0.000 0.499 109 E N 1.408 121.381 120.200 -0.378 0.000 2.467 109 E HA 0.390 4.740 4.350 -0.000 0.000 0.264 109 E C 1.122 177.619 176.600 -0.171 0.000 1.020 109 E CA 0.489 56.766 56.400 -0.205 0.000 0.945 109 E CB 0.371 29.952 29.700 -0.198 0.000 0.942 109 E HN 0.620 nan 8.360 nan 0.000 0.449 110 G N 3.776 112.530 108.800 -0.077 0.000 4.125 110 G HA2 0.085 4.045 3.960 -0.000 0.000 0.301 110 G HA3 0.085 4.045 3.960 -0.000 0.000 0.301 110 G C -0.413 174.477 174.900 -0.018 0.000 1.273 110 G CA -0.349 44.768 45.100 0.028 0.000 1.095 110 G HN 0.278 nan 8.290 nan 0.000 0.582 111 K N 0.988 121.228 120.400 -0.267 0.000 2.284 111 K HA 0.504 4.824 4.320 -0.000 0.000 0.287 111 K C -1.075 175.126 176.600 -0.666 0.000 1.081 111 K CA -0.092 56.008 56.287 -0.312 0.000 0.910 111 K CB 0.549 32.903 32.500 -0.244 0.000 1.088 111 K HN 0.342 nan 8.250 nan 0.000 0.478 112 Y N 1.062 121.307 120.300 -0.092 0.000 2.605 112 Y HA 0.516 5.066 4.550 -0.000 0.000 0.343 112 Y C -0.168 175.670 175.900 -0.104 0.000 1.036 112 Y CA -1.071 56.964 58.100 -0.108 0.000 1.065 112 Y CB 1.933 40.323 38.460 -0.117 0.000 1.288 112 Y HN 0.409 nan 8.280 nan 0.000 0.481 113 R N 0.304 120.830 120.500 0.042 0.000 2.673 113 R HA 0.730 5.070 4.340 -0.000 0.000 0.281 113 R C -1.780 174.499 176.300 -0.034 0.000 0.991 113 R CA -0.955 55.135 56.100 -0.017 0.000 0.896 113 R CB 1.736 32.004 30.300 -0.054 0.000 1.201 113 R HN 0.519 nan 8.270 nan 0.000 0.457 114 V N 1.728 121.610 119.914 -0.054 0.000 2.872 114 V HA 0.510 4.630 4.120 -0.000 0.000 0.307 114 V C -0.095 175.940 176.094 -0.098 0.000 1.072 114 V CA 0.821 63.068 62.300 -0.087 0.000 1.148 114 V CB 0.905 32.681 31.823 -0.079 0.000 0.954 114 V HN 1.035 nan 8.190 nan 0.000 0.490 115 A N 4.343 127.080 122.820 -0.138 0.000 2.564 115 A HA 0.754 5.074 4.320 -0.000 0.000 0.288 115 A C -0.353 177.139 177.584 -0.154 0.000 1.164 115 A CA -0.398 51.558 52.037 -0.134 0.000 0.712 115 A CB 1.839 20.744 19.000 -0.158 0.000 1.303 115 A HN 0.767 nan 8.150 nan 0.000 0.418 116 T N -0.630 113.866 114.554 -0.095 0.000 2.928 116 T HA 0.351 4.701 4.350 -0.000 0.000 0.284 116 T C 0.662 175.346 174.700 -0.026 0.000 1.008 116 T CA -0.040 62.037 62.100 -0.039 0.000 1.057 116 T CB 0.300 69.190 68.868 0.037 0.000 1.018 116 T HN 0.512 nan 8.240 nan 0.000 0.493 117 W N 1.345 122.686 121.300 0.068 0.000 2.342 117 W HA -0.112 4.548 4.660 -0.000 0.000 0.297 117 W C 2.084 178.681 176.519 0.130 0.000 1.213 117 W CA 0.904 58.326 57.345 0.128 0.000 1.251 117 W CB 0.016 29.602 29.460 0.210 0.000 1.136 117 W HN 0.794 nan 8.180 nan 0.000 0.526 118 E N -0.052 120.349 120.200 0.334 0.000 2.031 118 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 118 E C 1.781 178.467 176.600 0.143 0.000 0.994 118 E CA 1.877 58.405 56.400 0.214 0.000 0.800 118 E CB -0.777 29.021 29.700 0.163 0.000 0.752 118 E HN 0.425 nan 8.360 nan 0.000 0.447 119 E N 0.772 121.032 120.200 0.100 0.000 2.077 119 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 119 E C 1.920 178.560 176.600 0.067 0.000 0.989 119 E CA 1.411 57.850 56.400 0.066 0.000 0.800 119 E CB -0.230 29.484 29.700 0.023 0.000 0.746 119 E HN 0.208 nan 8.360 nan 0.000 0.452 120 A N 0.895 123.732 122.820 0.029 0.000 1.898 120 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 120 A C 2.282 179.933 177.584 0.110 0.000 1.181 120 A CA 1.195 53.236 52.037 0.006 0.000 0.620 120 A CB -0.643 18.278 19.000 -0.133 0.000 0.819 120 A HN 0.362 nan 8.150 nan 0.000 0.442 121 L N -0.597 120.725 121.223 0.165 0.000 2.141 121 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 121 L C 1.923 178.868 176.870 0.125 0.000 1.094 121 L CA 1.172 56.116 54.840 0.174 0.000 0.763 121 L CB -0.499 41.675 42.059 0.192 0.000 0.908 121 L HN 0.306 nan 8.230 nan 0.000 0.437 122 D N -1.271 119.199 120.400 0.118 0.000 2.103 122 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 122 D C 2.058 178.416 176.300 0.097 0.000 0.978 122 D CA 1.009 55.065 54.000 0.093 0.000 0.829 122 D CB -0.246 40.606 40.800 0.087 0.000 0.981 122 D HN 0.289 nan 8.370 nan 0.000 0.464 123 H N 0.559 119.647 119.070 0.030 0.000 2.387 123 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 123 H C 2.204 177.543 175.328 0.019 0.000 1.099 123 H CA 1.088 57.145 56.048 0.016 0.000 1.315 123 H CB -0.108 29.652 29.762 -0.004 0.000 1.380 123 H HN 0.142 nan 8.280 nan 0.000 0.513 124 I N 0.568 121.205 120.570 0.112 0.000 2.163 124 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 124 I C 3.050 179.198 176.117 0.052 0.000 1.081 124 I CA 1.055 62.396 61.300 0.068 0.000 1.353 124 I CB -0.429 37.645 38.000 0.124 0.000 1.054 124 I HN 0.227 nan 8.210 nan 0.000 0.407 125 A N 0.485 123.349 122.820 0.074 0.000 1.883 125 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 125 A C 2.398 180.019 177.584 0.061 0.000 1.186 125 A CA 1.752 53.835 52.037 0.077 0.000 0.624 125 A CB -0.578 18.468 19.000 0.076 0.000 0.822 125 A HN 0.258 nan 8.150 nan 0.000 0.444 126 K N -0.302 120.108 120.400 0.017 0.000 2.020 126 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 126 K C 1.994 178.586 176.600 -0.013 0.000 1.050 126 K CA 1.695 57.979 56.287 -0.005 0.000 0.929 126 K CB -0.233 32.236 32.500 -0.051 0.000 0.714 126 K HN 0.286 nan 8.250 nan 0.000 0.443 127 K N 0.318 120.672 120.400 -0.076 0.000 2.057 127 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 127 K C 2.227 178.851 176.600 0.041 0.000 1.049 127 K CA 1.237 57.489 56.287 -0.057 0.000 0.931 127 K CB -0.187 32.231 32.500 -0.135 0.000 0.714 127 K HN 0.282 nan 8.250 nan 0.000 0.440 128 M N 0.443 120.079 119.600 0.061 0.000 2.159 128 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 128 M C 2.189 178.666 176.300 0.294 0.000 1.063 128 M CA 1.350 56.716 55.300 0.110 0.000 1.110 128 M CB -0.302 32.284 32.600 -0.023 0.000 1.374 128 M HN 0.042 nan 8.290 nan 0.000 0.411 129 L N -0.345 121.030 121.223 0.253 0.000 2.093 129 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 129 L C 2.223 179.206 176.870 0.190 0.000 1.085 129 L CA 1.168 56.167 54.840 0.265 0.000 0.755 129 L CB -0.551 41.613 42.059 0.176 0.000 0.904 129 L HN 0.326 nan 8.230 nan 0.000 0.435 130 E N 0.375 120.661 120.200 0.143 0.000 2.072 130 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 130 E C 2.260 178.966 176.600 0.177 0.000 0.985 130 E CA 1.141 57.612 56.400 0.117 0.000 0.801 130 E CB -0.082 29.669 29.700 0.084 0.000 0.750 130 E HN 0.461 nan 8.360 nan 0.000 0.452 131 I N 0.727 121.442 120.570 0.240 0.000 2.394 131 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 131 I C 2.602 178.949 176.117 0.383 0.000 1.136 131 I CA 0.859 62.376 61.300 0.361 0.000 1.425 131 I CB -0.100 38.060 38.000 0.267 0.000 1.079 131 I HN -0.011 nan 8.210 nan 0.000 0.425 132 R N 0.554 121.247 120.500 0.321 0.000 2.236 132 R HA -0.099 4.241 4.340 -0.000 0.000 0.208 132 R C 1.645 177.997 176.300 0.086 0.000 1.036 132 R CA 0.873 57.108 56.100 0.225 0.000 1.001 132 R CB 0.202 30.626 30.300 0.207 0.000 0.896 132 R HN 0.286 nan 8.270 nan 0.000 0.464 133 E N 0.559 120.803 120.200 0.073 0.000 2.216 133 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 133 E C 1.383 177.951 176.600 -0.052 0.000 0.973 133 E CA 0.888 57.287 56.400 -0.001 0.000 0.851 133 E CB 0.146 29.846 29.700 -0.001 0.000 0.804 133 E HN 0.452 nan 8.360 nan 0.000 0.477 134 K N -0.816 119.531 120.400 -0.088 0.000 2.353 134 K HA 0.102 4.422 4.320 -0.000 0.000 0.195 134 K C 0.753 177.114 176.600 -0.399 0.000 1.031 134 K CA 0.318 56.439 56.287 -0.276 0.000 1.079 134 K CB 0.236 32.501 32.500 -0.393 0.000 0.857 134 K HN 0.113 nan 8.250 nan 0.000 0.535 135 Y N 0.831 121.157 120.300 0.044 0.000 2.452 135 Y HA 0.288 4.838 4.550 -0.000 0.000 0.262 135 Y C 0.903 176.826 175.900 0.038 0.000 1.089 135 Y CA 0.076 58.212 58.100 0.060 0.000 1.262 135 Y CB 1.515 40.039 38.460 0.107 0.000 1.236 135 Y HN 0.269 nan 8.280 nan 0.000 0.512 136 G N 1.011 109.907 108.800 0.160 0.000 2.555 136 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.686 136 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.686 136 G C -2.466 172.504 174.900 0.117 0.000 1.275 136 G CA -0.516 44.614 45.100 0.050 0.000 0.871 136 G HN -0.091 nan 8.290 nan 0.000 0.603 137 P HA 0.088 nan 4.420 nan 0.000 0.236 137 P C 0.960 178.539 177.300 0.465 0.000 1.177 137 P CA 1.174 64.363 63.100 0.149 0.000 0.773 137 P CB 0.106 31.396 31.700 -0.684 0.000 0.878 138 E N 0.297 120.646 120.200 0.249 0.000 2.516 138 E HA 0.066 4.416 4.350 -0.000 0.000 0.199 138 E C 1.761 178.585 176.600 0.374 0.000 1.069 138 E CA 0.598 57.166 56.400 0.280 0.000 0.876 138 E CB -0.648 29.100 29.700 0.079 0.000 0.843 138 E HN 0.214 nan 8.360 nan 0.000 0.530 139 A N 0.858 123.878 122.820 0.333 0.000 2.276 139 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 139 A C 0.429 178.100 177.584 0.146 0.000 1.230 139 A CA 0.057 52.236 52.037 0.237 0.000 0.844 139 A CB -0.141 18.948 19.000 0.150 0.000 0.860 139 A HN 0.126 nan 8.150 nan 0.000 0.486 140 I N 0.815 121.514 120.570 0.215 0.000 2.410 140 I HA 0.441 4.611 4.170 -0.000 0.000 0.286 140 I C 0.174 176.226 176.117 -0.109 0.000 1.009 140 I CA -0.490 60.801 61.300 -0.016 0.000 1.111 140 I CB 1.669 39.618 38.000 -0.085 0.000 1.262 140 I HN 0.163 nan 8.210 nan 0.000 0.443 141 A N 6.681 129.343 122.820 -0.263 0.000 2.310 141 A HA 0.769 5.089 4.320 -0.000 0.000 0.299 141 A C -1.056 176.249 177.584 -0.464 0.000 1.147 141 A CA -0.136 51.772 52.037 -0.215 0.000 0.818 141 A CB 0.290 19.081 19.000 -0.348 0.000 1.096 141 A HN 0.560 nan 8.150 nan 0.000 0.495 142 F N 1.938 121.928 119.950 0.065 0.000 2.434 142 F HA 0.434 4.961 4.527 -0.000 0.000 0.355 142 F C -0.426 175.599 175.800 0.375 0.000 1.115 142 F CA -0.159 57.940 58.000 0.165 0.000 1.010 142 F CB 1.172 40.228 39.000 0.094 0.000 1.234 142 F HN 0.469 nan 8.300 nan 0.000 0.439 143 F N 1.467 121.586 119.950 0.282 0.000 2.450 143 F HA 0.827 5.354 4.527 -0.000 0.000 0.332 143 F C 0.679 176.629 175.800 0.250 0.000 1.093 143 F CA -0.976 57.136 58.000 0.186 0.000 1.003 143 F CB 2.212 41.262 39.000 0.084 0.000 1.151 143 F HN 0.553 nan 8.300 nan 0.000 0.474 144 G N 1.223 110.247 108.800 0.373 0.000 2.523 144 G HA2 0.454 4.414 3.960 -0.000 0.000 0.291 144 G HA3 0.454 4.414 3.960 -0.000 0.000 0.291 144 G C -2.564 172.521 174.900 0.309 0.000 1.450 144 G CA -0.535 44.813 45.100 0.414 0.000 0.790 144 G HN 0.778 nan 8.290 nan 0.000 0.496 145 H N -1.598 117.622 119.070 0.250 0.000 2.981 145 H HA 0.557 5.113 4.556 -0.000 0.000 0.327 145 H C 0.213 175.631 175.328 0.149 0.000 1.342 145 H CA 0.077 56.159 56.048 0.057 0.000 1.123 145 H CB 2.348 32.092 29.762 -0.029 0.000 1.851 145 H HN 2.041 nan 8.280 nan 0.000 0.531 146 G N 0.183 108.913 108.800 -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 0.756 175.804 174.900 0.247 0.000 1.349 146 G CA -0.048 45.141 45.100 0.147 0.000 0.847 146 G HN 0.610 nan 8.290 nan 0.000 0.548 147 T N 0.595 115.320 114.554 0.286 0.000 2.624 147 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 147 T C 2.531 177.429 174.700 0.330 0.000 1.041 147 T CA 2.840 65.098 62.100 0.264 0.000 1.159 147 T CB -0.696 68.325 68.868 0.256 0.000 0.863 147 T HN 1.790 nan 8.240 nan 0.000 0.434 148 G N 2.110 111.203 108.800 0.489 0.000 2.916 148 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.205 148 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.205 148 G C 0.987 176.038 174.900 0.251 0.000 1.163 148 G CA 0.738 46.128 45.100 0.484 0.000 0.821 148 G HN 0.679 nan 8.290 nan 0.000 0.515 149 D N -0.565 120.040 120.400 0.342 0.000 2.347 149 D HA -0.142 4.498 4.640 -0.000 0.000 0.215 149 D C 1.669 178.060 176.300 0.152 0.000 0.976 149 D CA -0.089 54.089 54.000 0.298 0.000 0.884 149 D CB -0.429 40.579 40.800 0.346 0.000 0.915 149 D HN 0.354 nan 8.370 nan 0.000 0.526 150 Y N 0.525 120.795 120.300 -0.050 0.000 2.145 150 Y HA -0.144 4.406 4.550 -0.000 0.000 0.286 150 Y C 1.592 177.311 175.900 -0.301 0.000 1.145 150 Y CA 1.513 59.463 58.100 -0.249 0.000 1.148 150 Y CB -0.650 37.499 38.460 -0.517 0.000 0.981 150 Y HN -0.049 nan 8.280 nan 0.000 0.507 151 W N -1.035 120.133 121.300 -0.220 0.000 2.407 151 W HA -0.093 4.567 4.660 -0.000 0.000 0.305 151 W C 2.151 178.317 176.519 -0.588 0.000 1.196 151 W CA 1.157 58.221 57.345 -0.468 0.000 1.311 151 W CB -0.915 28.269 29.460 -0.461 0.000 1.135 151 W HN -0.007 nan 8.180 nan 0.000 0.514 152 F N -0.995 118.951 119.950 -0.007 0.000 2.187 152 F HA -0.079 4.448 4.527 -0.000 0.000 0.295 152 F C 2.124 177.918 175.800 -0.010 0.000 1.091 152 F CA 0.981 58.965 58.000 -0.026 0.000 1.308 152 F CB -1.071 37.906 39.000 -0.037 0.000 1.030 152 F HN -0.352 nan 8.300 nan 0.000 0.487 153 V N -0.808 119.204 119.914 0.164 0.000 2.685 153 V HA -0.090 4.030 4.120 -0.000 0.000 0.244 153 V C 1.454 177.556 176.094 0.014 0.000 1.054 153 V CA 1.414 63.797 62.300 0.138 0.000 1.076 153 V CB -0.194 31.755 31.823 0.209 0.000 0.725 153 V HN 0.190 nan 8.190 nan 0.000 0.467 154 D N -1.149 119.220 120.400 -0.052 0.000 2.259 154 D HA 0.021 4.661 4.640 -0.000 0.000 0.216 154 D C 1.694 177.892 176.300 -0.171 0.000 0.961 154 D CA 0.841 54.797 54.000 -0.074 0.000 0.878 154 D CB 0.206 41.012 40.800 0.010 0.000 1.009 154 D HN 0.380 nan 8.370 nan 0.000 0.490 155 F N 0.853 120.480 119.950 -0.538 0.000 2.204 155 F HA 0.020 4.547 4.527 -0.000 0.000 0.276 155 F C 2.055 177.628 175.800 -0.378 0.000 1.085 155 F CA 0.138 57.816 58.000 -0.536 0.000 1.160 155 F CB -0.482 37.995 39.000 -0.872 0.000 1.091 155 F HN -0.240 nan 8.300 nan 0.000 0.522 156 L N 1.447 122.573 121.223 -0.161 0.000 2.010 156 L HA -0.205 4.135 4.340 -0.000 0.000 0.219 156 L C -0.791 175.745 176.870 -0.557 0.000 1.077 156 L CA 2.524 57.179 54.840 -0.307 0.000 0.773 156 L CB -2.149 39.668 42.059 -0.403 0.000 0.892 156 L HN 0.079 nan 8.230 nan 0.000 0.436 157 P HA -0.144 nan 4.420 nan 0.000 0.215 157 P C 1.515 178.631 177.300 -0.306 0.000 1.153 157 P CA 2.107 64.754 63.100 -0.755 0.000 0.853 157 P CB -0.147 31.226 31.700 -0.545 0.000 0.788 158 A N -0.155 122.476 122.820 -0.316 0.000 1.929 158 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 158 A C 2.298 179.652 177.584 -0.384 0.000 1.176 158 A CA 1.709 53.582 52.037 -0.274 0.000 0.628 158 A CB -1.513 17.328 19.000 -0.266 0.000 0.816 158 A HN 0.178 nan 8.150 nan 0.000 0.444 159 A N -1.456 121.003 122.820 -0.602 0.000 2.015 159 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 159 A C 1.981 179.383 177.584 -0.303 0.000 1.163 159 A CA 1.282 52.852 52.037 -0.778 0.000 0.646 159 A CB -0.651 17.708 19.000 -1.068 0.000 0.806 159 A HN 0.919 nan 8.150 nan 0.000 0.448 160 W N -0.142 120.944 121.300 -0.358 0.000 2.737 160 W HA 0.253 4.913 4.660 -0.000 0.000 0.262 160 W C 0.861 177.311 176.519 -0.114 0.000 1.282 160 W CA 1.200 58.431 57.345 -0.191 0.000 1.386 160 W CB 0.021 29.367 29.460 -0.190 0.000 1.099 160 W HN 0.676 nan 8.180 nan 0.000 0.621 161 G N 1.753 110.494 108.800 -0.098 0.000 2.131 161 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.201 161 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.201 161 G C -0.305 174.613 174.900 0.030 0.000 1.000 161 G CA 0.251 45.272 45.100 -0.130 0.000 0.680 161 G HN 0.352 nan 8.290 nan 0.000 0.514 162 S N 0.676 116.519 115.700 0.238 0.000 2.449 162 S HA 0.721 5.191 4.470 -0.000 0.000 0.310 162 S C -0.806 173.922 174.600 0.213 0.000 1.096 162 S CA -0.935 57.461 58.200 0.326 0.000 1.095 162 S CB 1.887 65.472 63.200 0.643 0.000 1.007 162 S HN 0.087 nan 8.310 nan 0.000 0.474 163 P HA 0.109 nan 4.420 nan 0.000 0.245 163 P C -0.285 177.152 177.300 0.229 0.000 1.206 163 P CA 0.118 63.311 63.100 0.155 0.000 0.781 163 P CB -0.011 31.734 31.700 0.075 0.000 0.994 164 N N 1.158 120.032 118.700 0.290 0.000 3.303 164 N HA 0.269 5.009 4.740 -0.000 0.000 0.304 164 N C -0.079 175.663 175.510 0.386 0.000 1.302 164 N CA 0.139 53.382 53.050 0.322 0.000 1.213 164 N CB 0.173 38.844 38.487 0.306 0.000 1.481 164 N HN 0.127 nan 8.380 nan 0.000 0.546 165 A N 0.361 123.381 122.820 0.334 0.000 2.331 165 A HA 0.868 5.188 4.320 -0.000 0.000 0.320 165 A C -0.440 177.301 177.584 0.262 0.000 1.138 165 A CA -0.579 51.665 52.037 0.345 0.000 0.790 165 A CB 1.334 20.469 19.000 0.226 0.000 1.206 165 A HN 0.337 nan 8.150 nan 0.000 0.470 166 A N 2.468 125.453 122.820 0.274 0.000 2.606 166 A HA 0.833 5.153 4.320 -0.000 0.000 0.293 166 A C -1.093 176.465 177.584 -0.043 0.000 1.082 166 A CA -0.824 51.250 52.037 0.060 0.000 0.685 166 A CB 1.405 20.355 19.000 -0.084 0.000 1.284 166 A HN 0.840 nan 8.150 nan 0.000 0.408 167 K N 1.210 121.510 120.400 -0.166 0.000 2.422 167 K HA 0.522 4.842 4.320 -0.000 0.000 0.251 167 K C -2.565 173.794 176.600 -0.401 0.000 0.933 167 K CA -1.859 54.240 56.287 -0.313 0.000 0.798 167 K CB 2.614 34.921 32.500 -0.323 0.000 1.238 167 K HN 0.287 nan 8.250 nan 0.000 0.428 168 P HA -0.171 nan 4.420 nan 0.000 0.225 168 P C 0.752 177.881 177.300 -0.286 0.000 1.148 168 P CA 1.086 63.949 63.100 -0.395 0.000 0.779 168 P CB 0.080 31.562 31.700 -0.363 0.000 0.780 169 S N -1.964 113.549 115.700 -0.311 0.000 2.660 169 S HA 0.076 4.546 4.470 -0.000 0.000 0.223 169 S C 1.539 176.106 174.600 -0.055 0.000 0.963 169 S CA 0.001 58.178 58.200 -0.038 0.000 0.932 169 S CB -0.733 62.572 63.200 0.175 0.000 0.775 169 S HN -0.016 nan 8.310 nan 0.000 0.531 170 V N 1.293 121.126 119.914 -0.135 0.000 2.948 170 V HA 0.115 4.235 4.120 -0.000 0.000 0.234 170 V C 2.272 178.256 176.094 -0.183 0.000 1.205 170 V CA 1.225 63.447 62.300 -0.130 0.000 1.234 170 V CB 0.425 32.179 31.823 -0.116 0.000 1.020 170 V HN 0.680 nan 8.190 nan 0.000 0.491 171 S N -1.341 114.223 115.700 -0.227 0.000 2.540 171 S HA 0.291 4.761 4.470 -0.000 0.000 0.218 171 S C 1.052 175.485 174.600 -0.279 0.000 0.977 171 S CA 0.087 58.118 58.200 -0.281 0.000 0.918 171 S CB 0.299 63.308 63.200 -0.317 0.000 0.806 171 S HN 0.376 nan 8.310 nan 0.000 0.496 172 L N 0.301 121.382 121.223 -0.235 0.000 3.014 172 L HA 0.482 4.822 4.340 -0.000 0.000 0.263 172 L C 0.850 177.657 176.870 -0.106 0.000 1.207 172 L CA -0.149 54.573 54.840 -0.196 0.000 1.017 172 L CB 0.957 42.892 42.059 -0.207 0.000 1.360 172 L HN 0.584 nan 8.230 nan 0.000 0.560 173 C N -2.581 116.636 119.300 -0.138 0.000 3.251 173 C HA 0.080 4.540 4.460 -0.000 0.000 0.224 173 C C 2.107 177.019 174.990 -0.130 0.000 2.525 173 C CA 0.465 59.443 59.018 -0.067 0.000 1.189 173 C CB 0.936 28.745 27.740 0.115 0.000 1.338 173 C HN 0.267 nan 8.230 nan 0.000 0.697 174 T N 0.717 115.228 114.554 -0.072 0.000 3.044 174 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 174 T C 1.594 176.218 174.700 -0.127 0.000 1.081 174 T CA 1.186 63.243 62.100 -0.072 0.000 1.040 174 T CB -0.183 68.694 68.868 0.014 0.000 0.962 174 T HN 0.616 nan 8.240 nan 0.000 0.506 175 A N 2.756 125.478 122.820 -0.164 0.000 1.884 175 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 175 A C -0.025 177.417 177.584 -0.237 0.000 1.197 175 A CA 1.662 53.582 52.037 -0.194 0.000 0.637 175 A CB -1.670 17.186 19.000 -0.239 0.000 0.827 175 A HN 0.365 nan 8.150 nan 0.000 0.450 176 P HA -0.219 nan 4.420 nan 0.000 0.216 176 P C 1.532 178.656 177.300 -0.294 0.000 1.153 176 P CA 2.031 64.945 63.100 -0.311 0.000 0.858 176 P CB -0.201 31.300 31.700 -0.332 0.000 0.789 177 R N -0.908 119.453 120.500 -0.231 0.000 2.161 177 R HA 0.049 4.388 4.340 -0.000 0.000 0.213 177 R C 1.791 178.008 176.300 -0.139 0.000 1.055 177 R CA 0.951 56.946 56.100 -0.176 0.000 0.996 177 R CB -0.939 29.289 30.300 -0.119 0.000 0.901 177 R HN 0.021 nan 8.270 nan 0.000 0.456 178 E N 1.153 121.273 120.200 -0.133 0.000 2.107 178 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 178 E C 2.148 178.661 176.600 -0.146 0.000 0.982 178 E CA 1.095 57.439 56.400 -0.093 0.000 0.809 178 E CB -0.160 29.501 29.700 -0.064 0.000 0.756 178 E HN 0.219 nan 8.360 nan 0.000 0.459 179 V N 1.686 121.444 119.914 -0.260 0.000 2.270 179 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 179 V C 2.465 178.172 176.094 -0.646 0.000 1.043 179 V CA 1.786 63.813 62.300 -0.456 0.000 1.014 179 V CB -0.998 30.491 31.823 -0.556 0.000 0.645 179 V HN 0.238 nan 8.190 nan 0.000 0.447 180 A N -0.534 121.960 122.820 -0.544 0.000 1.892 180 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 180 A C 2.567 180.036 177.584 -0.191 0.000 1.188 180 A CA 2.654 54.439 52.037 -0.420 0.000 0.631 180 A CB -0.978 17.839 19.000 -0.306 0.000 0.822 180 A HN 0.483 nan 8.150 nan 0.000 0.447 181 S N -1.519 114.125 115.700 -0.092 0.000 2.383 181 S HA -0.172 4.298 4.470 -0.000 0.000 0.227 181 S C 2.208 176.872 174.600 0.108 0.000 1.026 181 S CA 1.453 59.702 58.200 0.082 0.000 0.981 181 S CB -0.358 62.903 63.200 0.101 0.000 0.818 181 S HN 0.569 nan 8.310 nan 0.000 0.472 182 Q N -0.295 119.533 119.800 0.046 0.000 2.124 182 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 182 Q C 1.823 177.958 176.000 0.225 0.000 0.977 182 Q CA 1.197 57.076 55.803 0.127 0.000 0.850 182 Q CB -0.403 28.400 28.738 0.108 0.000 0.901 182 Q HN 0.691 nan 8.270 nan 0.000 0.429 183 W N -0.205 121.025 121.300 -0.117 0.000 2.409 183 W HA -0.046 4.614 4.660 -0.000 0.000 0.299 183 W C 2.248 178.742 176.519 -0.043 0.000 1.203 183 W CA 0.223 57.483 57.345 -0.141 0.000 1.298 183 W CB -1.026 28.301 29.460 -0.222 0.000 1.127 183 W HN -0.103 nan 8.180 nan 0.000 0.528 184 V N -1.353 118.625 119.914 0.108 0.000 2.407 184 V HA -0.057 4.063 4.120 -0.000 0.000 0.245 184 V C 0.702 176.558 176.094 -0.397 0.000 1.041 184 V CA 1.180 63.371 62.300 -0.181 0.000 1.040 184 V CB -0.697 30.875 31.823 -0.417 0.000 0.671 184 V HN -0.218 nan 8.190 nan 0.000 0.455 185 F N -1.046 118.906 119.950 0.004 0.000 2.613 185 F HA 0.649 5.176 4.527 -0.000 0.000 0.342 185 F C 1.254 177.085 175.800 0.052 0.000 1.066 185 F CA -0.219 57.725 58.000 -0.093 0.000 1.002 185 F CB 1.225 39.999 39.000 -0.376 0.000 1.319 185 F HN -0.121 nan 8.300 nan 0.000 0.495 186 G N 0.216 109.182 108.800 0.276 0.000 3.371 186 G HA2 0.268 4.228 3.960 -0.000 0.000 0.248 186 G HA3 0.268 4.228 3.960 -0.000 0.000 0.248 186 G C -0.049 174.944 174.900 0.154 0.000 1.161 186 G CA -0.288 44.953 45.100 0.235 0.000 0.796 186 G HN 0.408 nan 8.290 nan 0.000 0.539 187 R N -0.163 120.423 120.500 0.142 0.000 2.919 187 R HA 0.552 4.892 4.340 -0.000 0.000 0.260 187 R C -2.863 173.490 176.300 0.089 0.000 1.067 187 R CA -2.089 54.065 56.100 0.089 0.000 1.003 187 R CB 1.097 31.418 30.300 0.036 0.000 1.192 187 R HN -0.111 nan 8.270 nan 0.000 0.488 188 P HA 0.210 nan 4.420 nan 0.000 0.279 188 P C 0.143 177.471 177.300 0.048 0.000 1.282 188 P CA -0.354 62.777 63.100 0.052 0.000 0.788 188 P CB 0.962 32.688 31.700 0.044 0.000 1.139 189 I N -1.406 119.196 120.570 0.054 0.000 2.810 189 I HA 0.218 4.388 4.170 -0.000 0.000 0.262 189 I C 1.212 177.373 176.117 0.074 0.000 1.131 189 I CA 1.433 62.775 61.300 0.069 0.000 1.453 189 I CB -0.324 37.734 38.000 0.096 0.000 1.161 189 I HN 0.672 nan 8.210 nan 0.000 0.444 190 G N -0.317 108.525 108.800 0.070 0.000 2.710 190 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.668 190 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.668 190 G C 0.544 175.498 174.900 0.091 0.000 1.320 190 G CA -0.420 44.721 45.100 0.068 0.000 0.860 190 G HN 0.340 nan 8.290 nan 0.000 0.538 191 G N -1.433 107.401 108.800 0.058 0.000 2.430 191 G HA2 0.120 4.080 3.960 -0.000 0.000 0.216 191 G HA3 0.120 4.080 3.960 -0.000 0.000 0.216 191 G C 0.814 175.678 174.900 -0.060 0.000 1.146 191 G CA 1.312 46.437 45.100 0.042 0.000 0.793 191 G HN 0.961 nan 8.290 nan 0.000 0.537 192 H N 1.870 120.840 119.070 -0.167 0.000 2.486 192 H HA 0.188 4.744 4.556 -0.000 0.000 0.239 192 H C -0.146 175.244 175.328 0.104 0.000 1.480 192 H CA -0.518 55.386 56.048 -0.240 0.000 1.324 192 H CB -0.185 29.439 29.762 -0.230 0.000 1.486 192 H HN 0.327 nan 8.280 nan 0.000 0.544 193 E N 3.568 123.943 120.200 0.292 0.000 2.820 193 E HA -0.061 4.289 4.350 -0.000 0.000 0.251 193 E C -2.111 174.597 176.600 0.180 0.000 0.944 193 E CA -1.221 55.328 56.400 0.249 0.000 0.955 193 E CB 0.397 30.262 29.700 0.276 0.000 0.904 193 E HN 0.403 nan 8.360 nan 0.000 0.513 194 P HA 0.032 nan 4.420 nan 0.000 0.271 194 P C -0.500 176.247 177.300 -0.922 0.000 1.601 194 P CA 0.047 62.750 63.100 -0.663 0.000 0.856 194 P CB -0.445 30.904 31.700 -0.584 0.000 1.820 195 I N 0.853 121.069 120.570 -0.591 0.000 2.365 195 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 195 I C 0.918 176.772 176.117 -0.439 0.000 1.004 195 I CA -0.273 60.556 61.300 -0.785 0.000 1.311 195 I CB 0.736 38.008 38.000 -1.213 0.000 1.401 195 I HN -0.182 nan 8.210 nan 0.000 0.491 196 D N 5.312 125.534 120.400 -0.296 0.000 2.619 196 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 196 D C 0.607 176.956 176.300 0.082 0.000 1.133 196 D CA -0.114 53.962 54.000 0.126 0.000 1.017 196 D CB 0.115 41.074 40.800 0.264 0.000 1.077 196 D HN 0.403 nan 8.370 nan 0.000 0.503 197 W N 1.340 122.704 121.300 0.106 0.000 2.342 197 W HA -0.128 4.532 4.660 -0.000 0.000 0.297 197 W C 2.196 178.759 176.519 0.073 0.000 1.213 197 W CA 1.096 58.488 57.345 0.079 0.000 1.251 197 W CB -0.264 29.261 29.460 0.107 0.000 1.136 197 W HN 0.470 nan 8.180 nan 0.000 0.526 198 E N -0.260 120.145 120.200 0.341 0.000 2.265 198 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 198 E C 1.354 178.044 176.600 0.150 0.000 0.996 198 E CA 1.313 57.842 56.400 0.214 0.000 0.832 198 E CB -0.527 29.290 29.700 0.195 0.000 0.756 198 E HN 0.271 nan 8.360 nan 0.000 0.491 199 N N 0.646 119.432 118.700 0.144 0.000 2.220 199 N HA 0.167 4.907 4.740 -0.000 0.000 0.195 199 N C -0.085 175.462 175.510 0.062 0.000 1.123 199 N CA 0.523 53.624 53.050 0.086 0.000 0.874 199 N CB 0.754 39.280 38.487 0.066 0.000 0.995 199 N HN 0.203 nan 8.380 nan 0.000 0.498 200 A N 0.963 123.825 122.820 0.070 0.000 2.483 200 A HA 0.191 4.511 4.320 -0.000 0.000 0.238 200 A C 1.179 178.780 177.584 0.028 0.000 1.070 200 A CA 0.212 52.268 52.037 0.032 0.000 0.770 200 A CB 0.622 19.631 19.000 0.014 0.000 1.008 200 A HN 0.064 nan 8.150 nan 0.000 0.497 201 R N -0.392 120.107 120.500 -0.001 0.000 2.394 201 R HA 0.152 4.492 4.340 -0.000 0.000 0.220 201 R C -1.216 174.976 176.300 -0.180 0.000 0.887 201 R CA 0.528 56.588 56.100 -0.066 0.000 1.034 201 R CB 0.429 30.718 30.300 -0.017 0.000 1.179 201 R HN 0.766 nan 8.270 nan 0.000 0.561 202 Y N 0.164 120.299 120.300 -0.276 0.000 2.399 202 Y HA 0.452 5.002 4.550 -0.000 0.000 0.327 202 Y C -1.466 174.372 175.900 -0.104 0.000 1.111 202 Y CA -0.811 57.130 58.100 -0.265 0.000 1.047 202 Y CB 1.305 39.533 38.460 -0.386 0.000 1.259 202 Y HN -0.178 nan 8.280 nan 0.000 0.434 203 I N 6.845 127.280 120.570 -0.226 0.000 2.466 203 I HA 0.498 4.668 4.170 -0.000 0.000 0.289 203 I C -1.172 174.889 176.117 -0.093 0.000 1.026 203 I CA -1.178 60.078 61.300 -0.073 0.000 1.078 203 I CB 1.968 40.023 38.000 0.090 0.000 1.249 203 I HN 0.291 nan 8.210 nan 0.000 0.429 204 V N 7.237 127.157 119.914 0.010 0.000 2.357 204 V HA 0.397 4.517 4.120 -0.000 0.000 0.284 204 V C -0.042 176.150 176.094 0.163 0.000 1.018 204 V CA -0.504 61.847 62.300 0.086 0.000 0.841 204 V CB 1.508 33.416 31.823 0.141 0.000 0.991 204 V HN 0.469 nan 8.190 nan 0.000 0.437 205 L N 6.197 127.523 121.223 0.172 0.000 2.257 205 L HA 0.558 4.897 4.340 -0.000 0.000 0.290 205 L C -0.308 176.722 176.870 0.267 0.000 1.044 205 L CA -0.258 54.702 54.840 0.200 0.000 0.810 205 L CB 1.304 43.420 42.059 0.097 0.000 1.193 205 L HN 0.492 nan 8.230 nan 0.000 0.425 206 I N 3.760 124.524 120.570 0.323 0.000 2.347 206 I HA 0.231 4.401 4.170 -0.000 0.000 0.283 206 I C 1.141 177.516 176.117 0.429 0.000 1.058 206 I CA -0.007 61.501 61.300 0.346 0.000 1.202 206 I CB 0.991 39.185 38.000 0.325 0.000 1.386 206 I HN 0.968 nan 8.210 nan 0.000 0.475 207 G N 3.908 112.896 108.800 0.312 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 0.520 175.535 174.900 0.191 0.000 0.975 207 G CA -0.068 45.147 45.100 0.192 0.000 0.644 207 G HN 0.691 nan 8.290 nan 0.000 0.537 208 H N 1.929 121.097 119.070 0.164 0.000 3.232 208 H HA 0.277 4.833 4.556 -0.000 0.000 0.254 208 H C 1.012 176.393 175.328 0.088 0.000 1.213 208 H CA 0.186 56.323 56.048 0.148 0.000 1.503 208 H CB -0.798 29.049 29.762 0.142 0.000 1.563 208 H HN 0.734 nan 8.280 nan 0.000 0.490 209 H N 4.111 123.222 119.070 0.068 0.000 2.872 209 H HA 0.369 4.925 4.556 -0.000 0.000 0.273 209 H C -0.201 175.028 175.328 -0.165 0.000 1.205 209 H CA -0.759 55.229 56.048 -0.099 0.000 1.342 209 H CB 0.051 29.727 29.762 -0.145 0.000 1.469 209 H HN 0.334 nan 8.280 nan 0.000 0.487 210 I N 4.150 124.545 120.570 -0.290 0.000 2.325 210 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 210 I C 0.990 176.867 176.117 -0.400 0.000 1.019 210 I CA 0.502 61.509 61.300 -0.488 0.000 1.302 210 I CB 1.444 38.856 38.000 -0.981 0.000 1.401 210 I HN 1.130 nan 8.210 nan 0.000 0.485 211 G N 4.307 112.912 108.800 -0.326 0.000 2.352 211 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.204 211 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.204 211 G C 0.719 175.478 174.900 -0.236 0.000 1.004 211 G CA -0.070 44.899 45.100 -0.218 0.000 0.648 211 G HN 0.567 nan 8.290 nan 0.000 0.491 212 E N 0.237 120.236 120.200 -0.337 0.000 2.132 212 E HA 0.148 4.498 4.350 -0.000 0.000 0.193 212 E C 0.483 176.787 176.600 -0.494 0.000 0.951 212 E CA 0.320 56.504 56.400 -0.360 0.000 0.843 212 E CB 0.223 29.703 29.700 -0.368 0.000 0.807 212 E HN 0.379 nan 8.360 nan 0.000 0.467 213 D N 0.358 120.323 120.400 -0.725 0.000 2.339 213 D HA -0.008 4.632 4.640 -0.000 0.000 0.256 213 D C -0.325 175.698 176.300 -0.461 0.000 1.214 213 D CA 0.490 54.137 54.000 -0.588 0.000 0.877 213 D CB 1.339 41.856 40.800 -0.471 0.000 1.111 213 D HN -0.165 nan 8.370 nan 0.000 0.478 214 T N 3.262 117.553 114.554 -0.439 0.000 3.266 214 T HA 0.081 4.430 4.350 -0.000 0.000 0.278 214 T C -0.063 174.428 174.700 -0.347 0.000 1.010 214 T CA -0.353 61.538 62.100 -0.348 0.000 0.909 214 T CB -0.695 68.012 68.868 -0.269 0.000 1.122 214 T HN 0.456 nan 8.240 nan 0.000 0.536 215 H N 2.275 121.037 119.070 -0.514 0.000 3.157 215 H HA -0.022 4.534 4.556 -0.000 0.000 0.299 215 H C 1.612 176.453 175.328 -0.811 0.000 0.961 215 H CA -0.530 54.993 56.048 -0.874 0.000 1.428 215 H CB 0.615 29.571 29.762 -1.343 0.000 1.459 215 H HN 0.169 nan 8.280 nan 0.000 0.566 216 N N 2.552 120.939 118.700 -0.521 0.000 2.051 216 N HA -0.221 4.519 4.740 -0.000 0.000 0.199 216 N C 1.532 176.949 175.510 -0.155 0.000 1.045 216 N CA 2.620 55.529 53.050 -0.236 0.000 0.884 216 N CB -0.540 37.937 38.487 -0.017 0.000 1.082 216 N HN 0.637 nan 8.380 nan 0.000 0.495 217 T N 0.850 115.431 114.554 0.045 0.000 2.737 217 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 217 T C 1.798 176.514 174.700 0.027 0.000 1.040 217 T CA 1.974 64.196 62.100 0.203 0.000 1.142 217 T CB -0.440 68.790 68.868 0.605 0.000 0.861 217 T HN 0.675 nan 8.240 nan 0.000 0.456 218 Q N 0.456 120.167 119.800 -0.147 0.000 2.297 218 Q HA 0.081 4.421 4.340 -0.000 0.000 0.204 218 Q C 2.191 177.948 176.000 -0.405 0.000 0.962 218 Q CA 0.594 56.217 55.803 -0.300 0.000 0.879 218 Q CB -0.417 28.189 28.738 -0.219 0.000 0.947 218 Q HN 0.337 nan 8.270 nan 0.000 0.462 219 L N 0.972 122.022 121.223 -0.289 0.000 2.023 219 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 219 L C 2.273 179.061 176.870 -0.136 0.000 1.073 219 L CA 1.907 56.626 54.840 -0.203 0.000 0.745 219 L CB -0.762 41.190 42.059 -0.177 0.000 0.900 219 L HN 0.269 nan 8.230 nan 0.000 0.435 220 Q N -0.458 119.274 119.800 -0.113 0.000 2.029 220 Q HA -0.263 4.077 4.340 -0.000 0.000 0.209 220 Q C 1.861 177.801 176.000 -0.099 0.000 0.999 220 Q CA 2.099 57.859 55.803 -0.070 0.000 0.857 220 Q CB -0.343 28.386 28.738 -0.016 0.000 0.926 220 Q HN 0.544 nan 8.270 nan 0.000 0.415 221 D N 0.015 120.318 120.400 -0.160 0.000 2.117 221 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 221 D C 1.590 177.714 176.300 -0.292 0.000 0.987 221 D CA 0.836 54.710 54.000 -0.210 0.000 0.829 221 D CB -0.386 40.205 40.800 -0.348 0.000 0.961 221 D HN 0.134 nan 8.370 nan 0.000 0.460 222 F N 1.820 121.346 119.950 -0.705 0.000 2.095 222 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 222 F C 2.222 177.871 175.800 -0.252 0.000 1.104 222 F CA 1.536 59.187 58.000 -0.582 0.000 1.232 222 F CB -0.433 38.176 39.000 -0.652 0.000 0.987 222 F HN -0.056 nan 8.300 nan 0.000 0.475 223 A N 0.404 123.094 122.820 -0.217 0.000 1.933 223 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 223 A C 2.326 179.800 177.584 -0.183 0.000 1.175 223 A CA 1.760 53.659 52.037 -0.229 0.000 0.628 223 A CB -1.143 17.791 19.000 -0.112 0.000 0.814 223 A HN 0.502 nan 8.150 nan 0.000 0.444 224 L N -1.015 120.138 121.223 -0.118 0.000 2.109 224 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 224 L C 3.083 179.922 176.870 -0.052 0.000 1.086 224 L CA 0.846 55.651 54.840 -0.058 0.000 0.760 224 L CB -0.499 41.556 42.059 -0.006 0.000 0.910 224 L HN 0.440 nan 8.230 nan 0.000 0.437 225 A N 0.319 123.103 122.820 -0.060 0.000 1.858 225 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 225 A C 2.246 179.766 177.584 -0.107 0.000 1.190 225 A CA 1.385 53.408 52.037 -0.023 0.000 0.617 225 A CB -0.773 18.271 19.000 0.072 0.000 0.827 225 A HN 0.316 nan 8.150 nan 0.000 0.443 226 L N -0.826 120.248 121.223 -0.247 0.000 2.013 226 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 226 L C 2.663 179.468 176.870 -0.108 0.000 1.073 226 L CA 2.117 56.825 54.840 -0.220 0.000 0.753 226 L CB -0.442 41.403 42.059 -0.356 0.000 0.890 226 L HN 0.432 nan 8.230 nan 0.000 0.432 227 K N 0.519 120.856 120.400 -0.104 0.000 2.074 227 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 227 K C 1.457 178.039 176.600 -0.030 0.000 1.048 227 K CA 1.608 57.860 56.287 -0.058 0.000 0.926 227 K CB -0.046 32.422 32.500 -0.053 0.000 0.713 227 K HN 0.270 nan 8.250 nan 0.000 0.444 228 N N -0.305 118.380 118.700 -0.024 0.000 2.434 228 N HA 0.092 4.832 4.740 -0.000 0.000 0.196 228 N C 0.082 175.588 175.510 -0.007 0.000 1.183 228 N CA 0.986 54.032 53.050 -0.006 0.000 0.849 228 N CB 0.815 39.307 38.487 0.009 0.000 0.992 228 N HN 0.407 nan 8.380 nan 0.000 0.460 229 G N -0.090 108.700 108.800 -0.017 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 -0.104 174.763 174.900 -0.054 0.000 1.058 229 G CA -0.037 45.050 45.100 -0.022 0.000 0.781 229 G HN 0.554 nan 8.290 nan 0.000 0.496 230 A N 0.552 123.337 122.820 -0.059 0.000 2.260 230 A HA 0.688 5.008 4.320 -0.000 0.000 0.312 230 A C 0.555 178.066 177.584 -0.122 0.000 1.321 230 A CA 0.193 52.182 52.037 -0.080 0.000 0.928 230 A CB 0.390 19.370 19.000 -0.034 0.000 1.158 230 A HN 1.095 nan 8.150 nan 0.000 0.542 231 K N 2.467 122.692 120.400 -0.293 0.000 2.227 231 K HA 0.546 4.866 4.320 -0.000 0.000 0.280 231 K C -1.302 175.141 176.600 -0.262 0.000 1.041 231 K CA -0.416 55.512 56.287 -0.597 0.000 0.905 231 K CB 1.256 33.123 32.500 -1.056 0.000 1.068 231 K HN 0.248 nan 8.250 nan 0.000 0.470 232 V N 4.312 124.321 119.914 0.159 0.000 2.370 232 V HA 0.246 4.366 4.120 -0.000 0.000 0.283 232 V C -0.369 175.757 176.094 0.053 0.000 1.023 232 V CA -0.986 61.356 62.300 0.071 0.000 0.857 232 V CB 1.378 33.316 31.823 0.192 0.000 0.985 232 V HN 0.613 nan 8.190 nan 0.000 0.443 233 V N 5.782 125.659 119.914 -0.062 0.000 2.398 233 V HA 0.453 4.573 4.120 -0.000 0.000 0.286 233 V C -0.058 176.122 176.094 0.145 0.000 1.026 233 V CA -0.493 61.836 62.300 0.049 0.000 0.868 233 V CB 1.826 33.658 31.823 0.016 0.000 0.982 233 V HN 0.624 nan 8.190 nan 0.000 0.443 234 V N 5.786 125.823 119.914 0.205 0.000 2.417 234 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 234 V C -0.234 176.063 176.094 0.338 0.000 1.024 234 V CA -0.549 61.889 62.300 0.230 0.000 0.861 234 V CB 2.083 33.986 31.823 0.135 0.000 0.985 234 V HN 0.613 nan 8.190 nan 0.000 0.436 235 V N 4.438 124.526 119.914 0.291 0.000 2.357 235 V HA 0.668 4.788 4.120 -0.000 0.000 0.284 235 V C -0.568 175.670 176.094 0.240 0.000 1.018 235 V CA -0.211 62.241 62.300 0.254 0.000 0.841 235 V CB 1.446 33.407 31.823 0.231 0.000 0.991 235 V HN 0.960 nan 8.190 nan 0.000 0.437 236 D N 5.728 126.290 120.400 0.271 0.000 2.747 236 D HA 0.229 4.869 4.640 -0.000 0.000 0.218 236 D C -2.538 173.948 176.300 0.311 0.000 1.230 236 D CA -0.799 53.335 54.000 0.223 0.000 0.774 236 D CB 3.368 44.288 40.800 0.199 0.000 1.667 236 D HN 0.219 nan 8.370 nan 0.000 0.499 237 P HA 0.033 nan 4.420 nan 0.000 0.242 237 P C 0.232 177.747 177.300 0.358 0.000 1.197 237 P CA 0.296 63.514 63.100 0.196 0.000 0.765 237 P CB 0.588 32.351 31.700 0.105 0.000 0.936 238 R N -0.088 120.597 120.500 0.309 0.000 2.534 238 R HA 0.333 4.673 4.340 -0.000 0.000 0.301 238 R C -1.072 175.247 176.300 0.032 0.000 0.961 238 R CA -1.054 55.154 56.100 0.180 0.000 0.871 238 R CB 0.877 31.053 30.300 -0.207 0.000 1.170 238 R HN -0.171 nan 8.270 nan 0.000 0.446 239 F N 4.873 124.588 119.950 -0.392 0.000 2.651 239 F HA 0.087 4.614 4.527 -0.000 0.000 0.347 239 F C 0.588 176.133 175.800 -0.425 0.000 1.284 239 F CA 0.025 57.434 58.000 -0.984 0.000 1.175 239 F CB -0.061 38.247 39.000 -1.154 0.000 1.542 239 F HN 0.504 nan 8.300 nan 0.000 0.661 240 S N 1.840 117.214 115.700 -0.544 0.000 2.625 240 S HA 0.102 4.572 4.470 -0.000 0.000 0.258 240 S C 1.430 175.788 174.600 -0.403 0.000 1.256 240 S CA 0.055 58.031 58.200 -0.373 0.000 0.983 240 S CB 0.783 63.803 63.200 -0.300 0.000 1.032 240 S HN 0.483 nan 8.310 nan 0.000 0.572 241 T N 1.262 115.677 114.554 -0.232 0.000 2.737 241 T HA 0.016 4.366 4.350 -0.000 0.000 0.265 241 T C 2.168 176.740 174.700 -0.215 0.000 1.038 241 T CA 1.494 63.483 62.100 -0.185 0.000 1.144 241 T CB -1.039 67.758 68.868 -0.118 0.000 0.866 241 T HN 0.775 nan 8.240 nan 0.000 0.434 242 A N 1.343 124.035 122.820 -0.213 0.000 1.972 242 A HA 0.185 4.505 4.320 -0.000 0.000 0.219 242 A C 2.579 180.047 177.584 -0.194 0.000 1.169 242 A CA 1.709 53.660 52.037 -0.144 0.000 0.635 242 A CB -0.936 17.918 19.000 -0.244 0.000 0.810 242 A HN 0.500 nan 8.150 nan 0.000 0.446 243 A N -0.249 122.304 122.820 -0.444 0.000 2.015 243 A HA 0.247 4.567 4.320 -0.000 0.000 0.219 243 A C 2.315 179.393 177.584 -0.843 0.000 1.163 243 A CA 1.587 53.205 52.037 -0.698 0.000 0.646 243 A CB -0.755 17.467 19.000 -1.296 0.000 0.806 243 A HN 1.047 nan 8.150 nan 0.000 0.448 244 A N -0.935 121.425 122.820 -0.767 0.000 2.172 244 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 244 A C 1.572 179.070 177.584 -0.143 0.000 1.154 244 A CA 1.326 53.145 52.037 -0.364 0.000 0.701 244 A CB -0.077 18.819 19.000 -0.174 0.000 0.789 244 A HN 0.262 nan 8.150 nan 0.000 0.465 245 K N -0.594 119.715 120.400 -0.152 0.000 2.387 245 K HA 0.423 4.743 4.320 -0.000 0.000 0.203 245 K C 0.281 176.766 176.600 -0.193 0.000 1.030 245 K CA 0.535 56.747 56.287 -0.125 0.000 1.099 245 K CB -0.034 32.435 32.500 -0.051 0.000 0.863 245 K HN 0.341 nan 8.250 nan 0.000 0.529 246 A N 0.880 123.600 122.820 -0.166 0.000 2.304 246 A HA 0.378 4.698 4.320 -0.000 0.000 0.301 246 A C 0.620 178.064 177.584 -0.234 0.000 1.132 246 A CA -0.423 51.528 52.037 -0.144 0.000 0.819 246 A CB 0.359 19.365 19.000 0.010 0.000 1.094 246 A HN 0.228 nan 8.150 nan 0.000 0.492 247 H N 1.158 120.257 119.070 0.049 0.000 2.403 247 H HA 0.046 4.602 4.556 -0.000 0.000 0.298 247 H C 0.002 175.403 175.328 0.123 0.000 1.059 247 H CA 1.017 57.107 56.048 0.071 0.000 1.363 247 H CB 0.295 30.078 29.762 0.035 0.000 1.410 247 H HN 0.565 nan 8.280 nan 0.000 0.528 248 R N -0.134 120.498 120.500 0.220 0.000 2.628 248 R HA 0.159 4.499 4.340 -0.000 0.000 0.288 248 R C -1.626 174.865 176.300 0.319 0.000 0.980 248 R CA -0.734 55.514 56.100 0.245 0.000 0.891 248 R CB 2.045 32.480 30.300 0.224 0.000 1.188 248 R HN 0.028 nan 8.270 nan 0.000 0.450 249 W N 5.962 127.358 121.300 0.159 0.000 2.361 249 W HA 0.390 5.050 4.660 -0.000 0.000 0.314 249 W C -1.450 175.165 176.519 0.159 0.000 1.041 249 W CA -1.209 56.237 57.345 0.169 0.000 1.241 249 W CB 0.836 30.469 29.460 0.289 0.000 1.279 249 W HN 0.457 nan 8.180 nan 0.000 0.436 250 L N 9.504 130.742 121.223 0.026 0.000 2.272 250 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 250 L C -1.761 174.817 176.870 -0.487 0.000 1.045 250 L CA -1.887 52.842 54.840 -0.185 0.000 0.842 250 L CB 0.791 42.867 42.059 0.028 0.000 1.224 250 L HN 0.252 nan 8.230 nan 0.000 0.430 251 P HA 0.094 nan 4.420 nan 0.000 0.241 251 P C 0.365 177.486 177.300 -0.299 0.000 1.760 251 P CA 0.036 62.667 63.100 -0.782 0.000 1.081 251 P CB 0.006 31.021 31.700 -1.141 0.000 1.975 252 I N 1.512 121.987 120.570 -0.158 0.000 2.815 252 I HA -0.054 4.116 4.170 -0.000 0.000 0.291 252 I C 1.047 177.131 176.117 -0.055 0.000 1.209 252 I CA -0.165 61.076 61.300 -0.097 0.000 1.431 252 I CB 0.627 38.594 38.000 -0.055 0.000 1.351 252 I HN 0.151 nan 8.210 nan 0.000 0.585 253 K N 8.937 129.297 120.400 -0.066 0.000 2.412 253 K HA 0.245 4.564 4.320 -0.000 0.000 0.281 253 K C -2.409 174.184 176.600 -0.011 0.000 1.027 253 K CA -1.034 55.235 56.287 -0.030 0.000 0.989 253 K CB 0.602 33.076 32.500 -0.043 0.000 0.935 253 K HN 0.230 nan 8.250 nan 0.000 0.475 254 P HA -0.007 nan 4.420 nan 0.000 0.264 254 P C 0.090 177.301 177.300 -0.147 0.000 1.183 254 P CA 0.861 63.986 63.100 0.041 0.000 0.763 254 P CB 0.624 32.419 31.700 0.159 0.000 0.807 255 G N 1.813 110.385 108.800 -0.380 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 0.649 175.406 174.900 -0.238 0.000 1.024 255 G CA 0.444 44.960 45.100 -0.974 0.000 0.755 255 G HN 0.575 nan 8.290 nan 0.000 0.507 256 T N -0.850 113.679 114.554 -0.043 0.000 3.170 256 T HA 0.247 4.597 4.350 -0.000 0.000 0.288 256 T C 1.612 176.250 174.700 -0.103 0.000 0.992 256 T CA 0.726 62.835 62.100 0.016 0.000 0.909 256 T CB 0.024 68.847 68.868 -0.074 0.000 1.133 256 T HN 0.305 nan 8.240 nan 0.000 0.530 257 D N 0.644 121.056 120.400 0.020 0.000 2.218 257 D HA -0.070 4.570 4.640 -0.000 0.000 0.204 257 D C 1.953 178.219 176.300 -0.056 0.000 0.976 257 D CA 1.179 55.179 54.000 0.000 0.000 0.853 257 D CB 0.033 40.935 40.800 0.171 0.000 0.939 257 D HN 0.300 nan 8.370 nan 0.000 0.481 258 T N -0.161 114.399 114.554 0.011 0.000 2.915 258 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 258 T C 2.045 176.693 174.700 -0.087 0.000 1.071 258 T CA 0.983 63.086 62.100 0.006 0.000 1.132 258 T CB -0.183 68.747 68.868 0.102 0.000 0.878 258 T HN 0.210 nan 8.240 nan 0.000 0.479 259 A N 1.401 124.046 122.820 -0.291 0.000 1.968 259 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 259 A C 2.225 179.641 177.584 -0.281 0.000 1.169 259 A CA 0.681 52.453 52.037 -0.441 0.000 0.638 259 A CB -0.591 17.582 19.000 -1.378 0.000 0.812 259 A HN 0.438 nan 8.150 nan 0.000 0.446 260 L N -0.582 120.408 121.223 -0.389 0.000 2.131 260 L HA -0.023 4.317 4.340 -0.000 0.000 0.206 260 L C 2.251 178.760 176.870 -0.601 0.000 1.087 260 L CA 1.418 55.921 54.840 -0.562 0.000 0.767 260 L CB -0.524 41.161 42.059 -0.623 0.000 0.917 260 L HN 0.412 nan 8.230 nan 0.000 0.441 261 L N -0.366 120.674 121.223 -0.305 0.000 2.027 261 L HA -0.241 4.099 4.340 -0.000 0.000 0.206 261 L C 2.640 179.563 176.870 0.088 0.000 1.074 261 L CA 1.015 55.827 54.840 -0.047 0.000 0.745 261 L CB -0.438 41.642 42.059 0.034 0.000 0.898 261 L HN 0.243 nan 8.230 nan 0.000 0.433 262 L N -0.389 120.862 121.223 0.047 0.000 2.042 262 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 262 L C 2.770 179.780 176.870 0.233 0.000 1.076 262 L CA 1.239 56.150 54.840 0.119 0.000 0.749 262 L CB -0.746 41.251 42.059 -0.102 0.000 0.893 262 L HN 0.262 nan 8.230 nan 0.000 0.432 263 A N -1.271 121.663 122.820 0.190 0.000 2.066 263 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 263 A C 1.909 179.689 177.584 0.327 0.000 1.157 263 A CA 0.825 52.990 52.037 0.214 0.000 0.670 263 A CB -0.542 18.530 19.000 0.120 0.000 0.804 263 A HN 0.492 nan 8.150 nan 0.000 0.453 264 W N -0.377 121.035 121.300 0.187 0.000 2.494 264 W HA 0.127 4.787 4.660 -0.000 0.000 0.286 264 W C 1.959 178.606 176.519 0.213 0.000 1.218 264 W CA -0.060 57.395 57.345 0.184 0.000 1.313 264 W CB -0.836 28.722 29.460 0.163 0.000 1.105 264 W HN 0.263 nan 8.180 nan 0.000 0.561 265 I N -0.476 120.364 120.570 0.450 0.000 2.163 265 I HA -0.375 3.795 4.170 -0.000 0.000 0.243 265 I C 2.507 178.830 176.117 0.343 0.000 1.085 265 I CA 2.077 63.590 61.300 0.354 0.000 1.347 265 I CB -0.663 37.534 38.000 0.328 0.000 1.044 265 I HN -0.002 nan 8.210 nan 0.000 0.408 266 H N 0.146 119.367 119.070 0.251 0.000 2.319 266 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 266 H C 2.178 177.657 175.328 0.251 0.000 1.092 266 H CA 2.130 58.297 56.048 0.198 0.000 1.302 266 H CB 0.084 29.883 29.762 0.061 0.000 1.373 266 H HN 0.077 nan 8.280 nan 0.000 0.497 267 V N 0.755 120.970 119.914 0.502 0.000 2.427 267 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 267 V C 2.512 178.786 176.094 0.301 0.000 1.051 267 V CA 1.718 64.264 62.300 0.409 0.000 1.048 267 V CB -0.456 31.575 31.823 0.348 0.000 0.666 267 V HN 0.429 nan 8.190 nan 0.000 0.456 268 L N -1.000 120.388 121.223 0.275 0.000 2.156 268 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 268 L C 2.238 179.260 176.870 0.253 0.000 1.095 268 L CA 1.333 56.320 54.840 0.244 0.000 0.770 268 L CB -0.415 41.780 42.059 0.226 0.000 0.914 268 L HN 0.253 nan 8.230 nan 0.000 0.439 269 I N -1.668 119.008 120.570 0.176 0.000 2.296 269 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 269 I C 2.189 178.365 176.117 0.098 0.000 1.087 269 I CA 1.114 62.435 61.300 0.035 0.000 1.393 269 I CB -0.103 37.910 38.000 0.023 0.000 1.093 269 I HN 0.076 nan 8.210 nan 0.000 0.421 270 Y N 0.750 121.025 120.300 -0.042 0.000 2.439 270 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 270 Y C 2.106 178.044 175.900 0.062 0.000 1.130 270 Y CA 0.853 58.922 58.100 -0.052 0.000 1.254 270 Y CB -0.171 38.128 38.460 -0.269 0.000 1.000 270 Y HN 0.185 nan 8.280 nan 0.000 0.554 271 E N -0.526 119.820 120.200 0.243 0.000 2.474 271 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 271 E C -0.279 176.413 176.600 0.155 0.000 1.039 271 E CA 0.300 56.811 56.400 0.186 0.000 0.881 271 E CB 0.136 29.944 29.700 0.179 0.000 0.970 271 E HN 0.220 nan 8.360 nan 0.000 0.486 272 D N 0.042 120.561 120.400 0.198 0.000 2.716 272 D HA -0.187 4.453 4.640 -0.000 0.000 0.239 272 D C 0.069 176.458 176.300 0.149 0.000 1.125 272 D CA 0.365 54.490 54.000 0.208 0.000 0.681 272 D CB -1.114 39.748 40.800 0.103 0.000 1.070 272 D HN 0.247 nan 8.370 nan 0.000 0.432 273 L N -0.121 121.233 121.223 0.218 0.000 2.616 273 L HA 0.170 4.510 4.340 -0.000 0.000 0.229 273 L C 1.301 178.253 176.870 0.136 0.000 1.110 273 L CA -0.559 54.356 54.840 0.126 0.000 0.884 273 L CB -0.234 41.893 42.059 0.112 0.000 1.115 273 L HN 0.329 nan 8.230 nan 0.000 0.481 274 Y N -1.351 118.969 120.300 0.034 0.000 2.330 274 Y HA 0.190 4.740 4.550 -0.000 0.000 0.341 274 Y C 0.432 176.336 175.900 0.006 0.000 1.278 274 Y CA -1.008 57.110 58.100 0.029 0.000 1.453 274 Y CB 0.197 38.687 38.460 0.050 0.000 1.342 274 Y HN -0.124 nan 8.280 nan 0.000 0.590 275 D N 2.271 122.695 120.400 0.040 0.000 2.383 275 D HA 0.034 4.674 4.640 -0.000 0.000 0.245 275 D C 0.274 176.509 176.300 -0.107 0.000 1.263 275 D CA 0.004 53.986 54.000 -0.030 0.000 0.936 275 D CB 0.700 41.549 40.800 0.082 0.000 1.053 275 D HN 0.730 nan 8.370 nan 0.000 0.507 276 K N 2.862 123.053 120.400 -0.348 0.000 2.009 276 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 276 K C 1.621 178.138 176.600 -0.137 0.000 1.049 276 K CA 1.090 57.148 56.287 -0.382 0.000 0.929 276 K CB 0.192 32.449 32.500 -0.405 0.000 0.714 276 K HN 0.510 nan 8.250 nan 0.000 0.440 277 E N 0.342 120.505 120.200 -0.062 0.000 2.038 277 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 277 E C 2.060 178.674 176.600 0.024 0.000 1.000 277 E CA 1.404 57.789 56.400 -0.025 0.000 0.803 277 E CB -0.354 29.355 29.700 0.015 0.000 0.750 277 E HN 0.310 nan 8.360 nan 0.000 0.448 278 Y N 1.464 121.798 120.300 0.057 0.000 2.114 278 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 278 Y C 2.315 178.324 175.900 0.181 0.000 1.165 278 Y CA 1.484 59.722 58.100 0.230 0.000 1.148 278 Y CB -0.185 38.440 38.460 0.274 0.000 0.972 278 Y HN -0.163 nan 8.280 nan 0.000 0.504 279 V N -0.059 120.027 119.914 0.286 0.000 2.358 279 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 279 V C 2.592 178.688 176.094 0.003 0.000 1.047 279 V CA 1.668 64.065 62.300 0.163 0.000 1.035 279 V CB -1.452 30.408 31.823 0.061 0.000 0.658 279 V HN 0.581 nan 8.190 nan 0.000 0.452 280 A N 1.129 123.909 122.820 -0.066 0.000 1.883 280 A HA -0.258 4.061 4.320 -0.000 0.000 0.217 280 A C 2.193 179.666 177.584 -0.185 0.000 1.186 280 A CA 2.271 54.242 52.037 -0.109 0.000 0.624 280 A CB -0.404 18.527 19.000 -0.114 0.000 0.822 280 A HN 0.702 nan 8.150 nan 0.000 0.444 281 K N -2.214 117.968 120.400 -0.364 0.000 2.400 281 K HA 0.075 4.395 4.320 -0.000 0.000 0.194 281 K C 0.136 176.329 176.600 -0.678 0.000 1.033 281 K CA 0.910 56.833 56.287 -0.607 0.000 1.021 281 K CB -0.069 31.915 32.500 -0.860 0.000 0.808 281 K HN 0.652 nan 8.250 nan 0.000 0.505 282 Y N 0.495 120.734 120.300 -0.102 0.000 2.717 282 Y HA 0.275 4.825 4.550 -0.000 0.000 0.250 282 Y C -0.018 175.939 175.900 0.096 0.000 1.149 282 Y CA -0.757 57.331 58.100 -0.019 0.000 1.211 282 Y CB 1.569 39.857 38.460 -0.287 0.000 1.289 282 Y HN -0.189 nan 8.280 nan 0.000 0.552 283 T N 1.477 116.123 114.554 0.152 0.000 2.879 283 T HA 0.578 4.928 4.350 -0.000 0.000 0.290 283 T C -0.604 174.137 174.700 0.067 0.000 0.993 283 T CA -0.450 61.737 62.100 0.145 0.000 0.975 283 T CB 1.629 70.605 68.868 0.180 0.000 0.981 283 T HN -0.163 nan 8.240 nan 0.000 0.439 284 V N 2.325 122.257 119.914 0.031 0.000 2.713 284 V HA 0.687 4.806 4.120 -0.000 0.000 0.307 284 V C 1.186 177.279 176.094 -0.002 0.000 1.052 284 V CA -0.222 62.075 62.300 -0.005 0.000 0.967 284 V CB 1.465 33.257 31.823 -0.051 0.000 1.019 284 V HN 1.187 nan 8.190 nan 0.000 0.459 285 G N 2.845 111.643 108.800 -0.003 0.000 2.393 285 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.299 285 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.299 285 G C 0.324 175.196 174.900 -0.047 0.000 0.990 285 G CA 0.962 46.042 45.100 -0.034 0.000 1.118 285 G HN 1.153 nan 8.290 nan 0.000 0.513 286 F N -0.276 119.616 119.950 -0.096 0.000 2.456 286 F HA 0.237 4.764 4.527 -0.000 0.000 0.298 286 F C 1.952 177.682 175.800 -0.117 0.000 1.104 286 F CA 1.398 59.328 58.000 -0.116 0.000 1.435 286 F CB 0.186 39.153 39.000 -0.055 0.000 1.078 286 F HN 0.269 nan 8.300 nan 0.000 0.546 287 E N 0.849 120.798 120.200 -0.419 0.000 2.072 287 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 287 E C 2.122 178.485 176.600 -0.396 0.000 0.985 287 E CA 1.410 57.514 56.400 -0.493 0.000 0.801 287 E CB -0.312 29.295 29.700 -0.155 0.000 0.750 287 E HN 0.578 nan 8.360 nan 0.000 0.452 288 E N 0.045 120.082 120.200 -0.271 0.000 2.118 288 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 288 E C 1.944 178.414 176.600 -0.218 0.000 0.992 288 E CA 0.630 56.910 56.400 -0.201 0.000 0.804 288 E CB -0.046 29.540 29.700 -0.191 0.000 0.741 288 E HN 0.231 nan 8.360 nan 0.000 0.458 289 L N 0.830 121.857 121.223 -0.326 0.000 2.056 289 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 289 L C 2.596 179.349 176.870 -0.196 0.000 1.078 289 L CA 1.421 56.099 54.840 -0.271 0.000 0.749 289 L CB -0.314 41.531 42.059 -0.356 0.000 0.901 289 L HN 0.112 nan 8.230 nan 0.000 0.433 290 K N -0.080 120.065 120.400 -0.425 0.000 2.026 290 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 290 K C 1.952 178.516 176.600 -0.060 0.000 1.048 290 K CA 1.446 57.558 56.287 -0.292 0.000 0.929 290 K CB -0.052 32.106 32.500 -0.569 0.000 0.713 290 K HN 0.323 nan 8.250 nan 0.000 0.439 291 A N 0.991 123.745 122.820 -0.110 0.000 1.930 291 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 291 A C 2.146 179.712 177.584 -0.031 0.000 1.175 291 A CA 1.435 53.445 52.037 -0.046 0.000 0.627 291 A CB -0.932 18.029 19.000 -0.064 0.000 0.815 291 A HN 0.569 nan 8.150 nan 0.000 0.443 292 H N -0.597 118.416 119.070 -0.095 0.000 2.319 292 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 292 H C 1.328 176.584 175.328 -0.119 0.000 1.092 292 H CA 2.005 58.017 56.048 -0.060 0.000 1.302 292 H CB 0.059 29.823 29.762 0.002 0.000 1.373 292 H HN 0.219 nan 8.280 nan 0.000 0.497 293 V N 2.199 122.129 119.914 0.028 0.000 3.620 293 V HA -0.056 4.064 4.120 -0.000 0.000 0.286 293 V C 2.275 178.234 176.094 -0.225 0.000 1.288 293 V CA 0.502 62.815 62.300 0.022 0.000 1.178 293 V CB -0.442 31.536 31.823 0.258 0.000 0.986 293 V HN 0.341 nan 8.190 nan 0.000 0.431 294 K N 0.609 120.809 120.400 -0.334 0.000 2.020 294 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 294 K C 1.364 177.719 176.600 -0.408 0.000 1.050 294 K CA 2.076 58.149 56.287 -0.358 0.000 0.929 294 K CB -0.007 32.379 32.500 -0.190 0.000 0.714 294 K HN 0.458 nan 8.250 nan 0.000 0.443 295 D N -0.439 119.592 120.400 -0.614 0.000 2.350 295 D HA -0.006 4.634 4.640 -0.000 0.000 0.213 295 D C -0.085 175.821 176.300 -0.656 0.000 1.031 295 D CA 0.251 53.904 54.000 -0.578 0.000 0.861 295 D CB 0.094 40.541 40.800 -0.588 0.000 0.926 295 D HN 0.173 nan 8.370 nan 0.000 0.520 296 F N 1.942 121.571 119.950 -0.535 0.000 2.619 296 F HA 0.087 4.614 4.527 -0.000 0.000 0.350 296 F C 1.332 176.909 175.800 -0.372 0.000 1.259 296 F CA -0.337 57.239 58.000 -0.707 0.000 1.204 296 F CB 0.229 38.808 39.000 -0.703 0.000 1.556 296 F HN -0.308 nan 8.300 nan 0.000 0.650 297 T N 1.464 115.926 114.554 -0.154 0.000 2.927 297 T HA 0.280 4.630 4.350 -0.000 0.000 0.281 297 T C -1.623 173.069 174.700 -0.014 0.000 0.998 297 T CA -2.367 59.511 62.100 -0.369 0.000 1.019 297 T CB 1.718 70.408 68.868 -0.297 0.000 1.061 297 T HN 0.060 nan 8.240 nan 0.000 0.518 298 P HA -0.080 nan 4.420 nan 0.000 0.220 298 P C 1.140 178.447 177.300 0.011 0.000 1.144 298 P CA 0.942 64.055 63.100 0.021 0.000 0.800 298 P CB 0.168 31.897 31.700 0.048 0.000 0.772 299 E N -1.893 118.318 120.200 0.019 0.000 2.170 299 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 299 E C 1.990 178.605 176.600 0.026 0.000 0.981 299 E CA 0.729 57.134 56.400 0.008 0.000 0.830 299 E CB -1.146 28.561 29.700 0.011 0.000 0.775 299 E HN 0.423 nan 8.360 nan 0.000 0.470 300 W N 2.627 123.875 121.300 -0.087 0.000 2.381 300 W HA -0.035 4.625 4.660 -0.000 0.000 0.301 300 W C 2.364 178.843 176.519 -0.067 0.000 1.205 300 W CA 2.181 59.496 57.345 -0.050 0.000 1.285 300 W CB -0.189 29.292 29.460 0.035 0.000 1.133 300 W HN 0.060 nan 8.180 nan 0.000 0.521 301 A N 0.761 123.501 122.820 -0.133 0.000 1.877 301 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 301 A C 1.971 179.303 177.584 -0.421 0.000 1.186 301 A CA 1.979 53.750 52.037 -0.443 0.000 0.620 301 A CB -1.378 17.521 19.000 -0.167 0.000 0.822 301 A HN 0.579 nan 8.150 nan 0.000 0.443 302 E N 0.004 120.050 120.200 -0.257 0.000 2.273 302 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 302 E C 1.916 178.357 176.600 -0.265 0.000 1.002 302 E CA 1.609 57.879 56.400 -0.217 0.000 0.828 302 E CB -0.163 29.459 29.700 -0.131 0.000 0.747 302 E HN 0.642 nan 8.360 nan 0.000 0.491 303 K N -0.591 119.583 120.400 -0.376 0.000 2.103 303 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 303 K C 1.778 178.073 176.600 -0.508 0.000 1.052 303 K CA 1.305 57.324 56.287 -0.447 0.000 0.945 303 K CB 0.046 32.213 32.500 -0.556 0.000 0.722 303 K HN 0.371 nan 8.250 nan 0.000 0.443 304 H N -1.360 117.452 119.070 -0.430 0.000 2.476 304 H HA 0.052 4.608 4.556 -0.000 0.000 0.292 304 H C 1.875 176.992 175.328 -0.351 0.000 1.019 304 H CA 0.911 56.725 56.048 -0.390 0.000 1.330 304 H CB 0.200 29.555 29.762 -0.679 0.000 1.451 304 H HN 0.113 nan 8.280 nan 0.000 0.535 305 T N 0.041 114.410 114.554 -0.309 0.000 2.896 305 T HA -0.069 4.281 4.350 -0.000 0.000 0.263 305 T C 0.714 175.300 174.700 -0.190 0.000 1.050 305 T CA 1.024 62.959 62.100 -0.275 0.000 1.140 305 T CB 0.143 68.802 68.868 -0.349 0.000 0.877 305 T HN 0.453 nan 8.240 nan 0.000 0.457 306 E N -0.729 119.359 120.200 -0.187 0.000 3.898 306 E HA -0.140 4.210 4.350 -0.000 0.000 0.328 306 E C -0.558 175.961 176.600 -0.135 0.000 0.770 306 E CA 0.100 56.413 56.400 -0.146 0.000 1.267 306 E CB -1.409 28.219 29.700 -0.120 0.000 1.646 306 E HN 0.485 nan 8.360 nan 0.000 0.420 307 I N 1.672 122.157 120.570 -0.142 0.000 2.353 307 I HA 0.237 4.407 4.170 -0.000 0.000 0.293 307 I C -2.116 173.952 176.117 -0.082 0.000 0.992 307 I CA -2.161 59.073 61.300 -0.110 0.000 1.268 307 I CB 0.866 38.803 38.000 -0.105 0.000 1.387 307 I HN -0.215 nan 8.210 nan 0.000 0.478 308 P HA -0.041 nan 4.420 nan 0.000 0.266 308 P C 0.259 177.556 177.300 -0.005 0.000 1.193 308 P CA 0.020 63.103 63.100 -0.029 0.000 0.770 308 P CB 0.716 32.410 31.700 -0.010 0.000 0.836 309 A N 2.355 125.172 122.820 -0.006 0.000 1.972 309 A HA -0.252 4.067 4.320 -0.000 0.000 0.219 309 A C 2.177 179.797 177.584 0.060 0.000 1.169 309 A CA 1.833 53.881 52.037 0.019 0.000 0.635 309 A CB -1.102 17.903 19.000 0.008 0.000 0.810 309 A HN 0.557 nan 8.150 nan 0.000 0.446 310 Q N 0.001 119.834 119.800 0.055 0.000 2.046 310 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 310 Q C 1.865 177.927 176.000 0.104 0.000 0.975 310 Q CA 2.229 58.076 55.803 0.073 0.000 0.836 310 Q CB -0.637 28.134 28.738 0.056 0.000 0.896 310 Q HN 0.321 nan 8.270 nan 0.000 0.428 311 V N 0.720 120.695 119.914 0.102 0.000 2.287 311 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 311 V C 2.301 178.531 176.094 0.228 0.000 1.053 311 V CA 2.003 64.388 62.300 0.142 0.000 1.027 311 V CB -0.643 31.246 31.823 0.111 0.000 0.646 311 V HN 0.421 nan 8.190 nan 0.000 0.447 312 I N -0.744 119.961 120.570 0.225 0.000 2.208 312 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 312 I C 2.797 179.198 176.117 0.473 0.000 1.097 312 I CA 1.690 63.224 61.300 0.390 0.000 1.363 312 I CB -0.490 37.613 38.000 0.171 0.000 1.051 312 I HN 0.232 nan 8.210 nan 0.000 0.413 313 R N 0.657 121.318 120.500 0.268 0.000 2.062 313 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 313 R C 2.284 178.673 176.300 0.148 0.000 1.136 313 R CA 1.601 57.825 56.100 0.207 0.000 0.948 313 R CB -0.244 30.143 30.300 0.145 0.000 0.845 313 R HN 0.374 nan 8.270 nan 0.000 0.430 314 E N -0.178 120.102 120.200 0.133 0.000 2.070 314 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 314 E C 1.976 178.616 176.600 0.068 0.000 1.004 314 E CA 1.621 58.078 56.400 0.095 0.000 0.805 314 E CB 0.012 29.777 29.700 0.109 0.000 0.744 314 E HN 0.097 nan 8.360 nan 0.000 0.451 315 V N 0.979 120.961 119.914 0.112 0.000 2.343 315 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 315 V C 2.247 178.171 176.094 -0.283 0.000 1.051 315 V CA 1.866 64.172 62.300 0.010 0.000 1.036 315 V CB -0.672 31.222 31.823 0.119 0.000 0.654 315 V HN 0.355 nan 8.190 nan 0.000 0.451 316 A N -0.292 122.326 122.820 -0.336 0.000 1.969 316 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 316 A C 2.366 179.854 177.584 -0.159 0.000 1.169 316 A CA 1.606 53.435 52.037 -0.346 0.000 0.635 316 A CB -0.421 18.513 19.000 -0.110 0.000 0.810 316 A HN 0.508 nan 8.150 nan 0.000 0.445 317 R N -0.125 120.326 120.500 -0.082 0.000 2.066 317 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 317 R C 2.107 178.322 176.300 -0.141 0.000 1.131 317 R CA 1.596 57.657 56.100 -0.064 0.000 0.955 317 R CB -0.324 29.967 30.300 -0.016 0.000 0.851 317 R HN 0.670 nan 8.270 nan 0.000 0.432 318 E N 0.851 120.935 120.200 -0.193 0.000 2.118 318 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 318 E C 2.115 178.364 176.600 -0.585 0.000 0.992 318 E CA 1.619 57.822 56.400 -0.328 0.000 0.804 318 E CB -0.192 29.319 29.700 -0.315 0.000 0.741 318 E HN 0.474 nan 8.360 nan 0.000 0.458 319 M N -0.122 119.114 119.600 -0.606 0.000 2.236 319 M HA 0.099 4.579 4.480 -0.000 0.000 0.266 319 M C 2.436 178.616 176.300 -0.201 0.000 1.070 319 M CA 1.600 56.595 55.300 -0.509 0.000 1.137 319 M CB -0.232 32.206 32.600 -0.271 0.000 1.378 319 M HN 0.000 nan 8.290 nan 0.000 0.426 320 A N 1.470 124.202 122.820 -0.147 0.000 1.883 320 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 320 A C 2.487 180.014 177.584 -0.095 0.000 1.186 320 A CA 2.250 54.246 52.037 -0.068 0.000 0.624 320 A CB -1.308 17.674 19.000 -0.029 0.000 0.822 320 A HN 0.729 nan 8.150 nan 0.000 0.444 321 A N -1.873 120.852 122.820 -0.157 0.000 2.194 321 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 321 A C 1.817 179.204 177.584 -0.327 0.000 1.162 321 A CA 1.634 53.530 52.037 -0.236 0.000 0.674 321 A CB -0.737 18.082 19.000 -0.302 0.000 0.789 321 A HN 0.722 nan 8.150 nan 0.000 0.470 322 H N -0.395 118.590 119.070 -0.141 0.000 2.874 322 H HA 0.074 4.630 4.556 -0.000 0.000 0.264 322 H C 0.055 175.353 175.328 -0.050 0.000 1.007 322 H CA 0.319 56.313 56.048 -0.090 0.000 1.207 322 H CB 0.203 29.910 29.762 -0.092 0.000 1.487 322 H HN 0.656 nan 8.280 nan 0.000 0.505 323 K N 2.632 123.059 120.400 0.045 0.000 2.559 323 K HA -0.013 4.307 4.320 -0.000 0.000 0.279 323 K C -1.847 174.765 176.600 0.020 0.000 0.967 323 K CA -0.632 55.672 56.287 0.028 0.000 1.000 323 K CB 0.271 32.777 32.500 0.010 0.000 0.890 323 K HN 0.013 nan 8.250 nan 0.000 0.501 324 P HA -0.017 nan 4.420 nan 0.000 0.253 324 P C -0.293 177.023 177.300 0.025 0.000 1.260 324 P CA 0.422 63.529 63.100 0.013 0.000 0.800 324 P CB 0.281 31.986 31.700 0.009 0.000 1.162 325 R N 0.403 120.928 120.500 0.042 0.000 3.081 325 R HA 0.493 4.833 4.340 -0.000 0.000 0.280 325 R C 0.171 176.505 176.300 0.056 0.000 1.372 325 R CA -0.146 55.980 56.100 0.043 0.000 1.242 325 R CB 0.229 30.561 30.300 0.052 0.000 1.316 325 R HN 0.060 nan 8.270 nan 0.000 0.585 326 A N 0.830 123.686 122.820 0.060 0.000 2.343 326 A HA 0.586 4.906 4.320 -0.000 0.000 0.308 326 A C -0.372 177.243 177.584 0.052 0.000 1.092 326 A CA -0.633 51.460 52.037 0.093 0.000 0.751 326 A CB 1.400 20.458 19.000 0.096 0.000 1.203 326 A HN 0.088 nan 8.150 nan 0.000 0.452 327 V N 0.707 120.630 119.914 0.015 0.000 2.789 327 V HA 0.616 4.736 4.120 -0.000 0.000 0.311 327 V C -0.837 175.250 176.094 -0.012 0.000 1.073 327 V CA -0.737 61.528 62.300 -0.059 0.000 0.921 327 V CB 1.541 33.175 31.823 -0.315 0.000 1.009 327 V HN 0.628 nan 8.190 nan 0.000 0.426 328 L N 5.507 126.769 121.223 0.065 0.000 2.360 328 L HA 0.504 4.844 4.340 -0.000 0.000 0.265 328 L C -2.398 174.530 176.870 0.097 0.000 1.066 328 L CA -1.222 53.693 54.840 0.126 0.000 0.929 328 L CB 0.807 43.001 42.059 0.224 0.000 1.306 328 L HN 0.480 nan 8.230 nan 0.000 0.434 329 P HA 0.134 nan 4.420 nan 0.000 0.268 329 P C -2.506 174.929 177.300 0.225 0.000 1.204 329 P CA -1.122 61.967 63.100 -0.020 0.000 0.768 329 P CB -0.156 31.452 31.700 -0.153 0.000 0.842 330 P HA 0.089 nan 4.420 nan 0.000 0.276 330 P C 0.247 177.567 177.300 0.033 0.000 1.235 330 P CA 0.046 63.236 63.100 0.151 0.000 0.772 330 P CB 0.288 32.075 31.700 0.145 0.000 0.871 331 T N 1.805 116.310 114.554 -0.083 0.000 2.748 331 T HA 0.053 4.403 4.350 -0.000 0.000 0.304 331 T C 1.425 176.026 174.700 -0.165 0.000 1.041 331 T CA -0.068 61.810 62.100 -0.371 0.000 1.033 331 T CB 0.327 69.145 68.868 -0.084 0.000 0.995 331 T HN 0.356 nan 8.240 nan 0.000 0.536 332 R N -0.103 120.340 120.500 -0.095 0.000 2.074 332 R HA 0.072 4.412 4.340 -0.000 0.000 0.218 332 R C 0.482 176.854 176.300 0.121 0.000 1.137 332 R CA 0.390 56.534 56.100 0.074 0.000 0.998 332 R CB -0.174 30.241 30.300 0.191 0.000 0.895 332 R HN 0.763 nan 8.270 nan 0.000 0.442 333 H N 0.885 120.018 119.070 0.106 0.000 2.782 333 H HA 0.200 4.756 4.556 -0.000 0.000 0.285 333 H C -0.418 175.014 175.328 0.174 0.000 1.093 333 H CA -0.043 56.100 56.048 0.158 0.000 1.410 333 H CB 0.435 30.335 29.762 0.230 0.000 1.439 333 H HN 0.157 nan 8.280 nan 0.000 0.469 334 N N 4.144 122.643 118.700 -0.335 0.000 2.235 334 N HA 0.013 4.753 4.740 -0.000 0.000 0.231 334 N C 0.494 175.609 175.510 -0.658 0.000 1.177 334 N CA 0.134 52.764 53.050 -0.699 0.000 0.874 334 N CB 1.196 39.380 38.487 -0.505 0.000 1.097 334 N HN 0.394 nan 8.380 nan 0.000 0.518 335 V N 0.039 119.664 119.914 -0.482 0.000 3.406 335 V HA -0.058 4.062 4.120 -0.000 0.000 0.263 335 V C 1.330 177.408 176.094 -0.027 0.000 1.172 335 V CA 0.342 62.481 62.300 -0.268 0.000 1.140 335 V CB -0.513 31.138 31.823 -0.287 0.000 0.784 335 V HN 0.304 nan 8.190 nan 0.000 0.467 336 W N -0.013 121.127 121.300 -0.267 0.000 2.034 336 W HA -0.291 4.369 4.660 -0.000 0.000 0.353 336 W C 0.932 176.963 176.519 -0.814 0.000 1.594 336 W CA 1.602 58.650 57.345 -0.496 0.000 1.772 336 W CB -1.564 27.652 29.460 -0.407 0.000 0.982 336 W HN 0.337 nan 8.180 nan 0.000 0.473 337 Y N -3.662 116.802 120.300 0.273 0.000 2.644 337 Y HA 0.556 5.106 4.550 -0.000 0.000 0.338 337 Y C 1.310 177.243 175.900 0.054 0.000 1.119 337 Y CA -0.745 57.442 58.100 0.145 0.000 1.060 337 Y CB 0.411 38.966 38.460 0.159 0.000 1.294 337 Y HN -0.201 nan 8.280 nan 0.000 0.472 338 G N -0.170 108.728 108.800 0.164 0.000 2.448 338 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 338 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 338 G C 0.819 175.731 174.900 0.021 0.000 1.127 338 G CA 1.294 46.436 45.100 0.070 0.000 0.766 338 G HN 0.770 nan 8.290 nan 0.000 0.552 339 D N 1.022 121.457 120.400 0.059 0.000 2.317 339 D HA -0.058 4.582 4.640 -0.000 0.000 0.211 339 D C 1.398 177.658 176.300 -0.068 0.000 0.966 339 D CA 0.643 54.653 54.000 0.018 0.000 0.876 339 D CB -0.537 40.338 40.800 0.124 0.000 0.927 339 D HN 0.245 nan 8.370 nan 0.000 0.519 340 D N 0.853 121.213 120.400 -0.067 0.000 4.399 340 D HA -0.290 4.349 4.640 -0.000 0.000 0.192 340 D C 1.520 177.671 176.300 -0.249 0.000 1.389 340 D CA 2.613 56.506 54.000 -0.178 0.000 0.883 340 D CB -0.810 39.845 40.800 -0.242 0.000 0.872 340 D HN 0.324 nan 8.370 nan 0.000 0.589 341 T N -0.222 114.141 114.554 -0.319 0.000 2.867 341 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 341 T C 1.873 176.411 174.700 -0.271 0.000 1.057 341 T CA 0.723 62.593 62.100 -0.384 0.000 1.136 341 T CB -0.403 68.141 68.868 -0.541 0.000 0.874 341 T HN 0.401 nan 8.240 nan 0.000 0.466 342 Y N 1.136 121.318 120.300 -0.197 0.000 2.145 342 Y HA -0.127 4.423 4.550 -0.000 0.000 0.286 342 Y C 2.969 178.761 175.900 -0.180 0.000 1.145 342 Y CA 0.846 58.845 58.100 -0.168 0.000 1.148 342 Y CB -0.094 38.310 38.460 -0.093 0.000 0.981 342 Y HN 0.016 nan 8.280 nan 0.000 0.507 343 R N 0.486 120.998 120.500 0.020 0.000 2.083 343 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 343 R C 1.957 178.183 176.300 -0.122 0.000 1.137 343 R CA 2.025 58.094 56.100 -0.051 0.000 0.951 343 R CB -0.602 29.652 30.300 -0.077 0.000 0.851 343 R HN 0.189 nan 8.270 nan 0.000 0.434 344 V N 1.301 121.107 119.914 -0.180 0.000 2.343 344 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 344 V C 2.513 178.480 176.094 -0.212 0.000 1.051 344 V CA 2.103 64.295 62.300 -0.180 0.000 1.036 344 V CB -0.491 31.209 31.823 -0.206 0.000 0.654 344 V HN 0.376 nan 8.190 nan 0.000 0.451 345 M N 0.225 119.653 119.600 -0.286 0.000 2.082 345 M HA -0.228 4.252 4.480 -0.000 0.000 0.258 345 M C 2.380 178.149 176.300 -0.885 0.000 1.069 345 M CA 2.399 57.392 55.300 -0.512 0.000 1.102 345 M CB -0.619 31.735 32.600 -0.410 0.000 1.336 345 M HN 0.410 nan 8.290 nan 0.000 0.404 346 A N 0.002 122.484 122.820 -0.564 0.000 1.933 346 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 346 A C 2.153 179.676 177.584 -0.101 0.000 1.175 346 A CA 1.552 53.382 52.037 -0.346 0.000 0.628 346 A CB -0.927 18.012 19.000 -0.102 0.000 0.814 346 A HN 0.562 nan 8.150 nan 0.000 0.444 347 L N -0.665 120.527 121.223 -0.053 0.000 2.093 347 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 347 L C 2.229 179.176 176.870 0.128 0.000 1.085 347 L CA 1.234 56.130 54.840 0.092 0.000 0.755 347 L CB -0.169 41.942 42.059 0.087 0.000 0.904 347 L HN 0.398 nan 8.230 nan 0.000 0.435 348 L N -1.483 119.757 121.223 0.028 0.000 2.109 348 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 348 L C 2.427 179.420 176.870 0.205 0.000 1.086 348 L CA 1.233 56.143 54.840 0.117 0.000 0.760 348 L CB -0.745 41.327 42.059 0.022 0.000 0.910 348 L HN 0.314 nan 8.230 nan 0.000 0.437 349 Y N -0.667 119.677 120.300 0.074 0.000 2.145 349 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 349 Y C 2.675 178.660 175.900 0.141 0.000 1.145 349 Y CA 0.523 58.671 58.100 0.080 0.000 1.148 349 Y CB -0.283 38.219 38.460 0.070 0.000 0.981 349 Y HN -0.081 nan 8.280 nan 0.000 0.507 350 V N 0.708 120.819 119.914 0.328 0.000 2.392 350 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 350 V C 1.844 178.086 176.094 0.247 0.000 1.059 350 V CA 1.888 64.359 62.300 0.284 0.000 1.051 350 V CB -0.559 31.447 31.823 0.305 0.000 0.658 350 V HN 0.514 nan 8.190 nan 0.000 0.455 351 N N -0.044 118.820 118.700 0.274 0.000 2.188 351 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 351 N C 1.831 177.472 175.510 0.219 0.000 1.018 351 N CA 1.291 54.515 53.050 0.290 0.000 0.858 351 N CB -0.196 38.559 38.487 0.447 0.000 0.989 351 N HN 0.355 nan 8.380 nan 0.000 0.426 352 V N 2.172 122.232 119.914 0.244 0.000 2.295 352 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 352 V C 2.407 178.591 176.094 0.150 0.000 1.049 352 V CA 1.149 63.578 62.300 0.214 0.000 1.024 352 V CB -0.456 31.523 31.823 0.261 0.000 0.648 352 V HN 0.259 nan 8.190 nan 0.000 0.447 353 L N -0.752 120.594 121.223 0.204 0.000 2.261 353 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 353 L C 2.103 179.081 176.870 0.181 0.000 1.114 353 L CA 1.255 56.232 54.840 0.228 0.000 0.777 353 L CB -0.363 41.831 42.059 0.224 0.000 0.910 353 L HN 0.355 nan 8.230 nan 0.000 0.440 354 L N -0.887 120.394 121.223 0.098 0.000 2.529 354 L HA 0.153 4.493 4.340 -0.000 0.000 0.223 354 L C 1.436 178.266 176.870 -0.066 0.000 1.113 354 L CA 0.475 55.343 54.840 0.047 0.000 0.861 354 L CB -0.169 41.929 42.059 0.065 0.000 1.012 354 L HN 0.412 nan 8.230 nan 0.000 0.461 355 G N 1.416 110.052 108.800 -0.273 0.000 2.176 355 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 355 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 355 G C 0.481 175.046 174.900 -0.559 0.000 1.024 355 G CA 0.653 45.278 45.100 -0.791 0.000 0.755 355 G HN 0.607 nan 8.290 nan 0.000 0.507 356 N N -0.979 117.578 118.700 -0.238 0.000 2.373 356 N HA 0.092 4.832 4.740 -0.000 0.000 0.181 356 N C 0.642 176.256 175.510 0.174 0.000 1.082 356 N CA -0.155 52.906 53.050 0.018 0.000 0.885 356 N CB -0.018 38.541 38.487 0.119 0.000 0.977 356 N HN 0.492 nan 8.380 nan 0.000 0.462 357 Y N 1.430 121.730 120.300 -0.000 0.000 2.537 357 Y HA 0.375 4.925 4.550 -0.000 0.000 0.339 357 Y C 1.436 177.370 175.900 0.056 0.000 1.066 357 Y CA 0.969 59.064 58.100 -0.007 0.000 1.357 357 Y CB 0.026 38.367 38.460 -0.199 0.000 1.175 357 Y HN 0.381 nan 8.280 nan 0.000 0.525 358 G N 4.495 113.198 108.800 -0.163 0.000 2.157 358 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.248 358 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.248 358 G C -0.008 175.087 174.900 0.325 0.000 0.979 358 G CA -0.295 44.813 45.100 0.013 0.000 0.650 358 G HN 0.530 nan 8.290 nan 0.000 0.529 359 R N -0.037 120.639 120.500 0.293 0.000 2.711 359 R HA 0.501 4.841 4.340 -0.000 0.000 0.284 359 R C -2.922 173.475 176.300 0.161 0.000 0.968 359 R CA -2.163 54.065 56.100 0.214 0.000 0.924 359 R CB 1.630 31.996 30.300 0.110 0.000 1.162 359 R HN -0.013 nan 8.270 nan 0.000 0.465 360 P HA 0.118 nan 4.420 nan 0.000 0.271 360 P C 0.383 177.661 177.300 -0.036 0.000 1.233 360 P CA 0.576 63.545 63.100 -0.218 0.000 0.764 360 P CB 0.793 32.152 31.700 -0.567 0.000 0.825 361 G N 2.732 111.564 108.800 0.053 0.000 4.205 361 G HA2 0.023 3.983 3.960 -0.000 0.000 0.200 361 G HA3 0.023 3.983 3.960 -0.000 0.000 0.200 361 G C 0.633 175.506 174.900 -0.045 0.000 1.190 361 G CA 0.336 45.444 45.100 0.014 0.000 0.861 361 G HN 0.631 nan 8.290 nan 0.000 0.326 362 G N -0.677 108.075 108.800 -0.080 0.000 3.155 362 G HA2 0.448 4.408 3.960 -0.000 0.000 0.193 362 G HA3 0.448 4.408 3.960 -0.000 0.000 0.193 362 G C -0.406 174.119 174.900 -0.625 0.000 1.215 362 G CA -0.022 44.852 45.100 -0.377 0.000 0.917 362 G HN 0.408 nan 8.290 nan 0.000 0.756 363 F N 1.844 121.660 119.950 -0.224 0.000 2.902 363 F HA 0.280 4.807 4.527 -0.000 0.000 0.368 363 F C 0.923 176.468 175.800 -0.425 0.000 1.202 363 F CA -1.337 56.365 58.000 -0.496 0.000 1.109 363 F CB 1.230 39.847 39.000 -0.638 0.000 1.418 363 F HN 0.173 nan 8.300 nan 0.000 0.527 364 Y N 1.816 122.012 120.300 -0.173 0.000 2.352 364 Y HA 0.236 4.786 4.550 -0.000 0.000 0.292 364 Y C 0.608 176.219 175.900 -0.480 0.000 1.136 364 Y CA -0.517 57.319 58.100 -0.441 0.000 1.227 364 Y CB -0.293 37.718 38.460 -0.748 0.000 0.991 364 Y HN 0.255 nan 8.280 nan 0.000 0.545 365 I N -0.063 120.419 120.570 -0.147 0.000 6.880 365 I HA -0.075 4.095 4.170 -0.000 0.000 0.144 365 I C -0.570 175.593 176.117 0.076 0.000 1.832 365 I CA -0.312 60.906 61.300 -0.136 0.000 2.037 365 I CB -1.584 36.377 38.000 -0.066 0.000 3.559 365 I HN 0.400 nan 8.210 nan 0.000 0.169 366 A N 7.493 130.349 122.820 0.060 0.000 2.249 366 A HA 0.709 5.029 4.320 -0.000 0.000 0.314 366 A C 0.128 177.762 177.584 0.083 0.000 1.290 366 A CA -0.474 51.630 52.037 0.112 0.000 0.893 366 A CB 1.049 20.122 19.000 0.121 0.000 1.165 366 A HN 0.496 nan 8.150 nan 0.000 0.530 367 Q N 0.979 120.825 119.800 0.076 0.000 2.274 367 Q HA 0.390 4.730 4.340 -0.000 0.000 0.260 367 Q C -0.067 175.955 176.000 0.036 0.000 0.974 367 Q CA -0.189 55.665 55.803 0.084 0.000 0.876 367 Q CB 1.971 30.771 28.738 0.104 0.000 1.297 367 Q HN 0.704 nan 8.270 nan 0.000 0.446 368 S N 3.134 118.853 115.700 0.031 0.000 2.565 368 S HA 0.373 4.843 4.470 -0.000 0.000 0.276 368 S C -2.062 172.532 174.600 -0.010 0.000 1.326 368 S CA -0.923 57.272 58.200 -0.009 0.000 1.045 368 S CB 0.414 63.614 63.200 0.000 0.000 0.918 368 S HN 0.333 nan 8.310 nan 0.000 0.505 369 P HA 0.123 nan 4.420 nan 0.000 0.274 369 P C -1.333 175.964 177.300 -0.005 0.000 1.246 369 P CA -0.362 62.717 63.100 -0.035 0.000 0.795 369 P CB 0.292 31.937 31.700 -0.091 0.000 1.006 370 Y N 1.839 122.086 120.300 -0.088 0.000 2.404 370 Y HA 0.520 5.070 4.550 -0.000 0.000 0.344 370 Y C -0.937 174.885 175.900 -0.131 0.000 0.970 370 Y CA -0.531 57.512 58.100 -0.094 0.000 1.180 370 Y CB 0.203 38.615 38.460 -0.079 0.000 1.138 370 Y HN 0.215 nan 8.280 nan 0.000 0.510 371 L N 7.232 127.970 121.223 -0.810 0.000 2.528 371 L HA 0.308 4.648 4.340 -0.000 0.000 0.267 371 L C -1.041 175.384 176.870 -0.742 0.000 0.961 371 L CA -0.666 53.707 54.840 -0.779 0.000 0.866 371 L CB 1.870 43.600 42.059 -0.547 0.000 1.248 371 L HN 0.763 nan 8.230 nan 0.000 0.404 372 E N 4.917 124.644 120.200 -0.789 0.000 2.338 372 E HA 0.196 4.546 4.350 -0.000 0.000 0.272 372 E C -0.556 175.874 176.600 -0.283 0.000 1.029 372 E CA -0.401 55.728 56.400 -0.452 0.000 0.872 372 E CB 1.091 30.599 29.700 -0.320 0.000 1.015 372 E HN 0.428 nan 8.360 nan 0.000 0.417 373 K N 2.728 123.030 120.400 -0.163 0.000 2.336 373 K HA -0.056 4.264 4.320 -0.000 0.000 0.262 373 K C -0.475 176.075 176.600 -0.084 0.000 0.992 373 K CA -0.042 56.191 56.287 -0.090 0.000 0.927 373 K CB 0.276 32.781 32.500 0.009 0.000 0.956 373 K HN 0.507 nan 8.250 nan 0.000 0.495 374 Y N 2.644 122.823 120.300 -0.202 0.000 2.402 374 Y HA 0.123 4.673 4.550 -0.000 0.000 0.333 374 Y C -1.997 173.886 175.900 -0.029 0.000 1.076 374 Y CA -2.177 55.782 58.100 -0.235 0.000 1.299 374 Y CB 0.575 38.755 38.460 -0.467 0.000 1.197 374 Y HN 0.395 nan 8.280 nan 0.000 0.517 375 P HA 0.140 nan 4.420 nan 0.000 0.261 375 P C -1.211 176.185 177.300 0.161 0.000 1.203 375 P CA 0.673 63.751 63.100 -0.037 0.000 0.767 375 P CB 0.281 31.882 31.700 -0.165 0.000 0.785 376 L N 4.068 125.406 121.223 0.191 0.000 2.568 376 L HA 0.533 4.873 4.340 -0.000 0.000 0.257 376 L C -2.348 174.608 176.870 0.143 0.000 1.024 376 L CA -2.410 52.561 54.840 0.219 0.000 0.854 376 L CB 1.799 44.091 42.059 0.388 0.000 1.460 376 L HN 0.128 nan 8.230 nan 0.000 0.409 377 P HA 0.286 nan 4.420 nan 0.000 0.272 377 P C -2.556 174.862 177.300 0.197 0.000 1.223 377 P CA -1.016 62.108 63.100 0.041 0.000 0.784 377 P CB -0.259 31.358 31.700 -0.138 0.000 0.923 378 P HA 0.032 nan 4.420 nan 0.000 0.268 378 P C -0.466 176.966 177.300 0.220 0.000 1.208 378 P CA 0.020 63.215 63.100 0.157 0.000 0.777 378 P CB 0.266 32.022 31.700 0.092 0.000 0.875 379 L N 5.001 126.271 121.223 0.078 0.000 2.371 379 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 379 L C -1.157 175.661 176.870 -0.087 0.000 1.124 379 L CA -1.837 52.923 54.840 -0.134 0.000 0.816 379 L CB -0.325 41.559 42.059 -0.292 0.000 1.129 379 L HN 0.357 nan 8.230 nan 0.000 0.448 380 P HA -0.156 nan 4.420 nan 0.000 0.217 380 P C -0.206 177.057 177.300 -0.063 0.000 1.162 380 P CA 1.483 64.542 63.100 -0.067 0.000 0.901 380 P CB 0.155 31.791 31.700 -0.106 0.000 0.793 381 L N -1.283 119.884 121.223 -0.093 0.000 2.307 381 L HA 0.424 4.763 4.340 -0.000 0.000 0.284 381 L C 0.355 177.198 176.870 -0.044 0.000 1.023 381 L CA -0.716 54.094 54.840 -0.049 0.000 0.810 381 L CB 1.679 43.716 42.059 -0.038 0.000 1.231 381 L HN -0.230 nan 8.230 nan 0.000 0.423 382 E N 3.032 123.230 120.200 -0.003 0.000 2.222 382 E HA 0.577 4.927 4.350 -0.000 0.000 0.267 382 E C -2.263 174.359 176.600 0.036 0.000 0.963 382 E CA -1.427 54.980 56.400 0.012 0.000 0.837 382 E CB 1.264 30.979 29.700 0.025 0.000 1.183 382 E HN 0.360 nan 8.360 nan 0.000 0.403 383 P HA 0.461 nan 4.420 nan 0.000 0.278 383 P C -1.646 175.686 177.300 0.053 0.000 1.258 383 P CA -0.772 62.360 63.100 0.054 0.000 0.811 383 P CB 1.281 33.013 31.700 0.053 0.000 1.063 384 A N 0.720 123.571 122.820 0.051 0.000 2.586 384 A HA 0.563 4.883 4.320 -0.000 0.000 0.320 384 A C 0.469 178.081 177.584 0.046 0.000 1.281 384 A CA -0.561 51.502 52.037 0.043 0.000 0.775 384 A CB 0.014 19.029 19.000 0.024 0.000 1.122 384 A HN 0.563 nan 8.150 nan 0.000 0.470 385 A N 2.345 125.198 122.820 0.054 0.000 2.900 385 A HA 0.473 4.793 4.320 -0.000 0.000 0.246 385 A C 1.144 178.770 177.584 0.071 0.000 1.725 385 A CA 0.455 52.528 52.037 0.060 0.000 1.400 385 A CB -1.138 17.899 19.000 0.061 0.000 0.973 385 A HN 1.387 nan 8.150 nan 0.000 0.635 386 G N -1.119 107.723 108.800 0.070 0.000 2.720 386 G HA2 0.384 4.344 3.960 -0.000 0.000 0.237 386 G HA3 0.384 4.344 3.960 -0.000 0.000 0.237 386 G C 0.893 175.867 174.900 0.124 0.000 1.239 386 G CA 0.345 45.499 45.100 0.090 0.000 0.847 386 G HN 1.228 nan 8.290 nan 0.000 0.593 387 G N -1.709 107.180 108.800 0.148 0.000 4.242 387 G HA2 0.246 4.206 3.960 -0.000 0.000 0.159 387 G HA3 0.246 4.206 3.960 -0.000 0.000 0.159 387 G C 0.271 175.242 174.900 0.117 0.000 0.921 387 G CA 0.913 46.108 45.100 0.157 0.000 0.910 387 G HN 1.522 nan 8.290 nan 0.000 0.419 388 C N -0.484 118.974 119.300 0.264 0.000 3.335 388 C HA 0.765 5.225 4.460 -0.000 0.000 0.356 388 C C 1.348 176.478 174.990 0.233 0.000 1.570 388 C CA 0.141 59.420 59.018 0.436 0.000 1.271 388 C CB 1.037 28.960 27.740 0.306 0.000 1.873 388 C HN 1.762 nan 8.230 nan 0.000 0.439 389 S N -0.709 115.061 115.700 0.116 0.000 3.311 389 S HA 0.150 4.620 4.470 -0.000 0.000 0.373 389 S C 0.970 175.596 174.600 0.043 0.000 0.945 389 S CA 1.340 59.563 58.200 0.038 0.000 1.238 389 S CB -2.157 61.055 63.200 0.020 0.000 0.893 389 S HN 3.218 nan 8.310 nan 0.000 0.478 390 G N 0.991 109.829 108.800 0.063 0.000 2.467 390 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.242 390 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.242 390 G C -1.171 173.731 174.900 0.003 0.000 1.127 390 G CA -0.220 44.892 45.100 0.019 0.000 0.924 390 G HN 0.823 nan 8.290 nan 0.000 0.499 391 P HA 0.277 nan 4.420 nan 0.000 0.259 391 P C 1.027 178.274 177.300 -0.089 0.000 1.530 391 P CA 0.589 63.684 63.100 -0.008 0.000 1.022 391 P CB 1.036 32.771 31.700 0.058 0.000 1.514 392 S N 0.695 116.301 115.700 -0.157 0.000 2.349 392 S HA 0.303 4.773 4.470 -0.000 0.000 0.167 392 S C 1.567 176.008 174.600 -0.265 0.000 1.027 392 S CA 1.007 59.059 58.200 -0.245 0.000 1.284 392 S CB -0.793 62.214 63.200 -0.322 0.000 0.774 392 S HN 0.177 nan 8.310 nan 0.000 0.448 393 G N -0.508 108.169 108.800 -0.205 0.000 3.774 393 G HA2 0.426 4.386 3.960 -0.000 0.000 0.287 393 G HA3 0.426 4.386 3.960 -0.000 0.000 0.287 393 G C 0.971 175.843 174.900 -0.048 0.000 1.030 393 G CA 0.454 45.456 45.100 -0.163 0.000 0.824 393 G HN 0.670 nan 8.290 nan 0.000 0.518 394 G N 1.860 110.627 108.800 -0.055 0.000 2.469 394 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 394 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 394 G C 1.292 176.201 174.900 0.015 0.000 1.150 394 G CA 1.534 46.623 45.100 -0.019 0.000 0.763 394 G HN 0.472 nan 8.290 nan 0.000 0.561 395 D N -0.894 119.537 120.400 0.051 0.000 2.355 395 D HA 0.056 4.696 4.640 -0.000 0.000 0.218 395 D C 1.589 177.977 176.300 0.148 0.000 1.004 395 D CA 0.546 54.602 54.000 0.094 0.000 0.880 395 D CB -0.362 40.505 40.800 0.112 0.000 0.911 395 D HN 0.355 nan 8.370 nan 0.000 0.528 396 H N -0.184 118.860 119.070 -0.043 0.000 2.582 396 H HA 0.235 4.791 4.556 -0.000 0.000 0.269 396 H C 1.672 176.965 175.328 -0.058 0.000 0.962 396 H CA 0.651 56.673 56.048 -0.042 0.000 1.230 396 H CB 0.445 30.190 29.762 -0.029 0.000 1.445 396 H HN 0.223 nan 8.280 nan 0.000 0.528 397 E N -0.109 120.116 120.200 0.042 0.000 2.011 397 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 397 E C -0.509 176.050 176.600 -0.069 0.000 0.979 397 E CA 0.773 57.165 56.400 -0.014 0.000 0.822 397 E CB -0.101 29.592 29.700 -0.010 0.000 0.782 397 E HN 0.313 nan 8.360 nan 0.000 0.459 398 P HA 0.066 nan 4.420 nan 0.000 0.223 398 P C -0.916 176.278 177.300 -0.177 0.000 1.148 398 P CA 0.155 63.178 63.100 -0.128 0.000 0.870 398 P CB 0.295 31.941 31.700 -0.090 0.000 0.859 399 E N 1.925 122.055 120.200 -0.116 0.000 3.024 399 E HA 0.082 4.431 4.350 -0.000 0.000 0.224 399 E C 1.337 177.838 176.600 -0.166 0.000 1.135 399 E CA 1.420 57.757 56.400 -0.105 0.000 0.934 399 E CB -1.191 28.486 29.700 -0.038 0.000 0.977 399 E HN 0.305 nan 8.360 nan 0.000 0.537 400 G N 2.883 111.545 108.800 -0.231 0.000 2.582 400 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.288 400 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.288 400 G C 0.453 175.032 174.900 -0.535 0.000 1.247 400 G CA 0.356 45.288 45.100 -0.281 0.000 0.972 400 G HN 0.485 nan 8.290 nan 0.000 0.557 401 F N 0.744 120.634 119.950 -0.099 0.000 2.602 401 F HA 0.408 4.935 4.527 -0.000 0.000 0.284 401 F C 1.442 177.149 175.800 -0.155 0.000 1.111 401 F CA 1.148 59.079 58.000 -0.114 0.000 1.405 401 F CB 0.518 39.453 39.000 -0.110 0.000 1.121 401 F HN 0.143 nan 8.300 nan 0.000 0.603 402 K N 1.379 121.738 120.400 -0.069 0.000 2.690 402 K HA 0.227 4.547 4.320 -0.000 0.000 0.264 402 K C -2.828 173.617 176.600 -0.257 0.000 1.040 402 K CA -1.604 54.560 56.287 -0.206 0.000 0.946 402 K CB 2.091 34.377 32.500 -0.357 0.000 1.268 402 K HN -0.221 nan 8.250 nan 0.000 0.473 403 P HA -0.030 nan 4.420 nan 0.000 0.268 403 P C -0.456 176.871 177.300 0.045 0.000 1.208 403 P CA -0.228 62.705 63.100 -0.279 0.000 0.777 403 P CB 0.480 32.199 31.700 0.033 0.000 0.875 404 R N 1.523 122.114 120.500 0.152 0.000 2.523 404 R HA 0.056 4.396 4.340 -0.000 0.000 0.281 404 R C 0.832 177.311 176.300 0.298 0.000 0.969 404 R CA 0.316 56.586 56.100 0.284 0.000 1.093 404 R CB -0.545 29.947 30.300 0.320 0.000 0.917 404 R HN 0.479 nan 8.270 nan 0.000 0.408 405 A N 2.755 125.764 122.820 0.314 0.000 2.259 405 A HA -0.145 4.175 4.320 -0.000 0.000 0.212 405 A C 0.733 178.365 177.584 0.081 0.000 1.178 405 A CA 1.284 53.422 52.037 0.169 0.000 0.734 405 A CB -0.390 18.514 19.000 -0.160 0.000 0.774 405 A HN 0.923 nan 8.150 nan 0.000 0.481 406 D N -1.440 119.013 120.400 0.089 0.000 2.501 406 D HA 0.046 4.686 4.640 -0.000 0.000 0.224 406 D C 1.083 177.292 176.300 -0.151 0.000 1.202 406 D CA 0.080 54.095 54.000 0.025 0.000 0.829 406 D CB -0.137 40.746 40.800 0.138 0.000 1.023 406 D HN 0.212 nan 8.370 nan 0.000 0.499 407 K N 1.413 121.772 120.400 -0.068 0.000 2.160 407 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 407 K C 1.658 178.130 176.600 -0.214 0.000 1.047 407 K CA 1.950 58.163 56.287 -0.124 0.000 0.930 407 K CB -0.631 31.900 32.500 0.051 0.000 0.720 407 K HN 0.185 nan 8.250 nan 0.000 0.450 408 G N -0.685 108.025 108.800 -0.151 0.000 3.277 408 G HA2 0.042 4.002 3.960 -0.000 0.000 0.243 408 G HA3 0.042 4.002 3.960 -0.000 0.000 0.243 408 G C 0.701 175.514 174.900 -0.145 0.000 1.107 408 G CA -0.335 44.684 45.100 -0.135 0.000 0.771 408 G HN 0.249 nan 8.290 nan 0.000 0.544 409 K N -0.339 119.920 120.400 -0.235 0.000 2.228 409 K HA 0.191 4.511 4.320 -0.000 0.000 0.202 409 K C 0.127 176.785 176.600 0.097 0.000 1.051 409 K CA 0.543 56.794 56.287 -0.059 0.000 0.960 409 K CB 0.041 32.593 32.500 0.087 0.000 0.743 409 K HN 0.522 nan 8.250 nan 0.000 0.458 410 F N -4.754 115.235 119.950 0.065 0.000 2.715 410 F HA 0.279 4.806 4.527 -0.000 0.000 0.318 410 F C 0.529 176.410 175.800 0.134 0.000 1.141 410 F CA -1.526 56.532 58.000 0.096 0.000 0.950 410 F CB 0.163 39.203 39.000 0.067 0.000 1.374 410 F HN -0.297 nan 8.300 nan 0.000 0.477 411 F N 1.825 121.939 119.950 0.273 0.000 2.084 411 F HA 0.338 4.865 4.527 -0.000 0.000 0.296 411 F C 1.616 177.556 175.800 0.232 0.000 1.111 411 F CA 1.261 59.390 58.000 0.214 0.000 1.224 411 F CB -0.531 38.634 39.000 0.274 0.000 0.991 411 F HN 0.698 nan 8.300 nan 0.000 0.471 412 A N 0.845 124.009 122.820 0.572 0.000 2.475 412 A HA 0.092 4.412 4.320 -0.000 0.000 0.239 412 A C 1.189 178.905 177.584 0.221 0.000 1.087 412 A CA 0.145 52.421 52.037 0.398 0.000 0.779 412 A CB 0.076 19.267 19.000 0.318 0.000 1.036 412 A HN 0.558 nan 8.150 nan 0.000 0.506 413 R N 0.342 120.922 120.500 0.133 0.000 2.334 413 R HA 0.086 4.426 4.340 -0.000 0.000 0.216 413 R C 0.207 176.567 176.300 0.100 0.000 0.905 413 R CA 0.638 56.761 56.100 0.039 0.000 1.064 413 R CB -1.918 28.367 30.300 -0.024 0.000 1.046 413 R HN 0.553 nan 8.270 nan 0.000 0.508 414 S N 0.400 116.204 115.700 0.174 0.000 2.585 414 S HA 0.154 4.624 4.470 -0.000 0.000 0.273 414 S C 0.082 174.807 174.600 0.209 0.000 1.339 414 S CA -0.392 57.889 58.200 0.134 0.000 1.028 414 S CB 1.124 64.357 63.200 0.054 0.000 0.906 414 S HN 0.165 nan 8.310 nan 0.000 0.528 415 T N 1.674 116.312 114.554 0.141 0.000 2.851 415 T HA 0.477 4.827 4.350 -0.000 0.000 0.298 415 T C 0.023 174.785 174.700 0.102 0.000 0.977 415 T CA -0.240 61.959 62.100 0.165 0.000 1.126 415 T CB 0.008 68.959 68.868 0.138 0.000 0.916 415 T HN 0.858 nan 8.240 nan 0.000 0.529 416 A N 5.184 128.097 122.820 0.155 0.000 2.273 416 A HA 0.427 4.747 4.320 -0.000 0.000 0.320 416 A C 1.399 178.926 177.584 -0.095 0.000 1.358 416 A CA -0.623 51.396 52.037 -0.029 0.000 0.910 416 A CB -0.059 18.889 19.000 -0.086 0.000 1.159 416 A HN 1.047 nan 8.150 nan 0.000 0.526 417 I N 2.037 122.449 120.570 -0.264 0.000 2.236 417 I HA -0.405 3.765 4.170 -0.000 0.000 0.249 417 I C 2.403 178.275 176.117 -0.408 0.000 1.102 417 I CA 2.499 63.485 61.300 -0.523 0.000 1.365 417 I CB 0.182 37.737 38.000 -0.741 0.000 1.051 417 I HN 0.903 nan 8.210 nan 0.000 0.420 418 Q N -0.342 119.278 119.800 -0.300 0.000 2.378 418 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 418 Q C 1.648 177.609 176.000 -0.065 0.000 0.954 418 Q CA 0.939 56.600 55.803 -0.237 0.000 0.901 418 Q CB -0.251 28.239 28.738 -0.413 0.000 0.981 418 Q HN 0.440 nan 8.270 nan 0.000 0.483 419 E N 0.778 120.983 120.200 0.008 0.000 2.340 419 E HA 0.091 4.440 4.350 -0.000 0.000 0.194 419 E C 1.445 178.107 176.600 0.102 0.000 0.996 419 E CA 0.416 56.882 56.400 0.109 0.000 0.869 419 E CB 0.217 30.043 29.700 0.209 0.000 0.835 419 E HN 0.444 nan 8.360 nan 0.000 0.493 420 L N 0.847 122.142 121.223 0.120 0.000 2.627 420 L HA 0.126 4.466 4.340 -0.000 0.000 0.233 420 L C 1.908 178.865 176.870 0.146 0.000 1.144 420 L CA 0.138 55.066 54.840 0.146 0.000 0.892 420 L CB -0.167 42.050 42.059 0.263 0.000 1.039 420 L HN 0.007 nan 8.230 nan 0.000 0.442 421 I N -0.521 120.125 120.570 0.128 0.000 3.228 421 I HA -0.095 4.075 4.170 -0.000 0.000 0.279 421 I C 2.361 178.498 176.117 0.032 0.000 1.221 421 I CA 0.669 62.027 61.300 0.097 0.000 1.458 421 I CB -0.044 38.008 38.000 0.086 0.000 1.105 421 I HN 0.407 nan 8.210 nan 0.000 0.445 422 E N 2.131 122.349 120.200 0.029 0.000 2.046 422 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 422 E C -0.685 175.900 176.600 -0.026 0.000 0.982 422 E CA 0.992 57.397 56.400 0.009 0.000 0.800 422 E CB -0.530 29.184 29.700 0.023 0.000 0.756 422 E HN 0.202 nan 8.360 nan 0.000 0.449 423 P HA -0.172 nan 4.420 nan 0.000 0.218 423 P C 1.057 178.288 177.300 -0.114 0.000 1.146 423 P CA 1.592 64.614 63.100 -0.130 0.000 0.820 423 P CB -0.094 31.469 31.700 -0.229 0.000 0.778 424 M N -2.925 116.627 119.600 -0.080 0.000 2.506 424 M HA 0.017 4.497 4.480 -0.000 0.000 0.260 424 M C 1.691 177.962 176.300 -0.047 0.000 1.104 424 M CA 1.186 56.441 55.300 -0.076 0.000 1.112 424 M CB -0.275 32.281 32.600 -0.073 0.000 1.401 424 M HN -0.074 nan 8.290 nan 0.000 0.473 425 I N -0.723 119.828 120.570 -0.031 0.000 2.685 425 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 425 I C 2.530 178.641 176.117 -0.010 0.000 1.102 425 I CA 1.281 62.573 61.300 -0.013 0.000 1.442 425 I CB -0.309 37.688 38.000 -0.005 0.000 1.194 425 I HN 0.269 nan 8.210 nan 0.000 0.448 426 T N -2.002 112.544 114.554 -0.013 0.000 3.054 426 T HA 0.219 4.569 4.350 -0.000 0.000 0.259 426 T C 1.683 176.380 174.700 -0.005 0.000 1.092 426 T CA 0.572 62.669 62.100 -0.005 0.000 1.121 426 T CB 0.282 69.148 68.868 -0.003 0.000 0.912 426 T HN 0.514 nan 8.240 nan 0.000 0.489 427 G N 1.092 109.876 108.800 -0.026 0.000 2.148 427 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 427 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 427 G C 0.191 175.081 174.900 -0.018 0.000 0.981 427 G CA 0.488 45.576 45.100 -0.021 0.000 0.670 427 G HN 0.648 nan 8.290 nan 0.000 0.528 428 E N 1.362 121.545 120.200 -0.029 0.000 4.442 428 E HA 0.152 4.502 4.350 -0.000 0.000 0.560 428 E C -1.373 175.205 176.600 -0.036 0.000 1.511 428 E CA -0.107 56.284 56.400 -0.015 0.000 3.706 428 E CB -0.448 29.247 29.700 -0.009 0.000 1.276 428 E HN 0.239 nan 8.360 nan 0.000 0.419 429 P HA -0.241 nan 4.420 nan 0.000 0.044 429 P C -0.529 176.737 177.300 -0.058 0.000 0.521 429 P CA 1.434 64.553 63.100 0.032 0.000 1.057 429 P CB -1.583 30.110 31.700 -0.011 0.000 1.807 430 Y N -1.438 118.897 120.300 0.057 0.000 2.924 430 Y HA -0.249 4.301 4.550 -0.000 0.000 0.464 430 Y C -2.959 172.974 175.900 0.055 0.000 1.215 430 Y CA -0.260 57.883 58.100 0.072 0.000 2.434 430 Y CB -2.244 36.266 38.460 0.082 0.000 1.252 430 Y HN 0.261 nan 8.280 nan 0.000 0.636 431 P HA 0.629 nan 4.420 nan 0.000 0.328 431 P C -1.446 175.806 177.300 -0.080 0.000 1.512 431 P CA -0.540 62.540 63.100 -0.033 0.000 1.268 431 P CB 2.479 34.146 31.700 -0.055 0.000 1.766 432 I N 2.722 123.195 120.570 -0.161 0.000 2.359 432 I HA 0.333 4.503 4.170 -0.000 0.000 0.284 432 I C 0.410 176.423 176.117 -0.173 0.000 1.018 432 I CA -0.434 60.791 61.300 -0.125 0.000 1.173 432 I CB 0.797 38.730 38.000 -0.112 0.000 1.326 432 I HN 0.002 nan 8.210 nan 0.000 0.462 433 K N 4.155 124.418 120.400 -0.228 0.000 2.168 433 K HA 0.701 5.021 4.320 -0.000 0.000 0.239 433 K C 0.096 176.621 176.600 -0.125 0.000 0.999 433 K CA -0.701 55.462 56.287 -0.208 0.000 0.900 433 K CB 1.532 33.831 32.500 -0.335 0.000 1.111 433 K HN 0.701 nan 8.250 nan 0.000 0.452 434 G N 0.582 109.331 108.800 -0.085 0.000 3.177 434 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.682 434 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.682 434 G C -1.144 173.664 174.900 -0.152 0.000 1.002 434 G CA -0.349 44.699 45.100 -0.086 0.000 0.910 434 G HN 0.474 nan 8.290 nan 0.000 0.538 435 L N 2.335 123.472 121.223 -0.143 0.000 2.513 435 L HA 0.883 5.223 4.340 -0.000 0.000 0.261 435 L C -1.277 175.540 176.870 -0.088 0.000 0.945 435 L CA -1.115 53.601 54.840 -0.206 0.000 0.848 435 L CB 1.677 43.560 42.059 -0.294 0.000 1.334 435 L HN 0.522 nan 8.230 nan 0.000 0.407 436 F N 3.483 123.268 119.950 -0.275 0.000 2.450 436 F HA 0.806 5.333 4.527 -0.000 0.000 0.332 436 F C 0.390 176.234 175.800 0.073 0.000 1.093 436 F CA -0.114 57.852 58.000 -0.056 0.000 1.003 436 F CB 2.262 41.270 39.000 0.013 0.000 1.151 436 F HN 0.619 nan 8.300 nan 0.000 0.474 437 A N 3.913 126.918 122.820 0.307 0.000 2.483 437 A HA 0.401 4.720 4.320 -0.000 0.000 0.308 437 A C -1.889 175.858 177.584 0.270 0.000 1.291 437 A CA -0.473 51.757 52.037 0.322 0.000 0.774 437 A CB -0.218 19.004 19.000 0.370 0.000 1.134 437 A HN 0.644 nan 8.150 nan 0.000 0.471 438 Y N 2.423 122.849 120.300 0.211 0.000 2.454 438 Y HA 0.432 4.982 4.550 -0.000 0.000 0.345 438 Y C 1.126 177.119 175.900 0.155 0.000 0.970 438 Y CA 0.219 58.368 58.100 0.082 0.000 1.204 438 Y CB 0.647 39.125 38.460 0.030 0.000 1.122 438 Y HN 1.266 nan 8.280 nan 0.000 0.514 439 G N 6.933 115.472 108.800 -0.434 0.000 2.412 439 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.297 439 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.297 439 G C -0.491 174.424 174.900 0.026 0.000 0.965 439 G CA 0.616 45.566 45.100 -0.249 0.000 1.134 439 G HN 0.699 nan 8.290 nan 0.000 0.511 440 I N -0.280 120.327 120.570 0.061 0.000 2.571 440 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 440 I C -0.447 175.557 176.117 -0.189 0.000 1.115 440 I CA -1.132 60.191 61.300 0.038 0.000 1.045 440 I CB 1.637 39.689 38.000 0.086 0.000 1.238 440 I HN 0.147 nan 8.210 nan 0.000 0.424 441 N N 6.965 125.553 118.700 -0.187 0.000 2.605 441 N HA 0.218 4.958 4.740 -0.000 0.000 0.258 441 N C 1.334 176.594 175.510 -0.418 0.000 1.156 441 N CA -0.268 52.565 53.050 -0.361 0.000 1.008 441 N CB 0.487 38.957 38.487 -0.029 0.000 1.354 441 N HN 0.595 nan 8.380 nan 0.000 0.509 442 L N 1.884 122.631 121.223 -0.793 0.000 2.043 442 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 442 L C 1.196 177.992 176.870 -0.124 0.000 1.075 442 L CA 1.516 56.104 54.840 -0.419 0.000 0.752 442 L CB -0.364 41.398 42.059 -0.496 0.000 0.891 442 L HN 0.661 nan 8.230 nan 0.000 0.432 443 F N -2.294 117.553 119.950 -0.172 0.000 2.789 443 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 443 F C 2.155 177.780 175.800 -0.291 0.000 1.132 443 F CA -0.118 57.746 58.000 -0.227 0.000 1.404 443 F CB 0.071 38.997 39.000 -0.123 0.000 1.114 443 F HN 0.209 nan 8.300 nan 0.000 0.584 444 H N -2.143 116.951 119.070 0.040 0.000 3.017 444 H HA 0.187 4.743 4.556 -0.000 0.000 0.255 444 H C 1.584 176.929 175.328 0.028 0.000 0.990 444 H CA 0.456 56.546 56.048 0.069 0.000 1.205 444 H CB 0.659 30.468 29.762 0.078 0.000 1.460 444 H HN 0.049 nan 8.280 nan 0.000 0.478 445 S N 0.587 116.299 115.700 0.020 0.000 2.524 445 S HA 0.235 4.705 4.470 -0.000 0.000 0.215 445 S C 0.698 175.177 174.600 -0.202 0.000 0.986 445 S CA 0.068 58.199 58.200 -0.116 0.000 0.911 445 S CB 0.772 63.892 63.200 -0.134 0.000 0.805 445 S HN 0.134 nan 8.310 nan 0.000 0.501 446 I N 3.385 123.841 120.570 -0.191 0.000 2.436 446 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 446 I C -2.569 173.413 176.117 -0.226 0.000 1.010 446 I CA -2.662 58.499 61.300 -0.233 0.000 1.098 446 I CB 2.292 40.172 38.000 -0.200 0.000 1.266 446 I HN -0.101 nan 8.210 nan 0.000 0.434 447 P HA 0.055 nan 4.420 nan 0.000 0.274 447 P C -0.294 176.927 177.300 -0.131 0.000 1.256 447 P CA -0.145 62.837 63.100 -0.198 0.000 0.795 447 P CB 0.480 32.077 31.700 -0.172 0.000 1.038 448 N N -0.218 118.413 118.700 -0.114 0.000 2.725 448 N HA -0.120 4.620 4.740 -0.000 0.000 0.256 448 N C 0.594 175.992 175.510 -0.188 0.000 1.087 448 N CA 0.517 53.507 53.050 -0.100 0.000 0.690 448 N CB -1.555 36.940 38.487 0.012 0.000 0.891 448 N HN 0.063 nan 8.380 nan 0.000 0.553 449 V N 0.629 120.340 119.914 -0.338 0.000 2.380 449 V HA -0.194 3.926 4.120 -0.000 0.000 0.251 449 V C -0.476 175.379 176.094 -0.398 0.000 1.063 449 V CA 2.318 64.327 62.300 -0.486 0.000 1.055 449 V CB -0.934 30.304 31.823 -0.975 0.000 0.657 449 V HN 0.429 nan 8.190 nan 0.000 0.455 450 P HA -0.162 nan 4.420 nan 0.000 0.216 450 P C 1.780 179.005 177.300 -0.124 0.000 1.153 450 P CA 1.410 64.406 63.100 -0.173 0.000 0.848 450 P CB -0.120 31.522 31.700 -0.096 0.000 0.787 451 R N -0.518 119.922 120.500 -0.099 0.000 2.081 451 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 451 R C 1.767 178.032 176.300 -0.060 0.000 1.131 451 R CA 1.961 58.028 56.100 -0.055 0.000 0.960 451 R CB -0.883 29.402 30.300 -0.025 0.000 0.856 451 R HN 0.111 nan 8.270 nan 0.000 0.436 452 T N 1.054 115.552 114.554 -0.094 0.000 2.833 452 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 452 T C 1.516 176.165 174.700 -0.084 0.000 1.054 452 T CA 1.394 63.455 62.100 -0.066 0.000 1.135 452 T CB -0.001 68.848 68.868 -0.031 0.000 0.869 452 T HN 0.377 nan 8.240 nan 0.000 0.466 453 K N 0.841 121.131 120.400 -0.183 0.000 2.155 453 K HA 0.027 4.347 4.320 -0.000 0.000 0.203 453 K C 2.363 179.023 176.600 0.100 0.000 1.052 453 K CA 0.677 56.857 56.287 -0.179 0.000 0.948 453 K CB -0.015 32.273 32.500 -0.354 0.000 0.728 453 K HN 0.386 nan 8.250 nan 0.000 0.448 454 E N 0.956 121.180 120.200 0.040 0.000 2.051 454 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 454 E C 2.073 178.706 176.600 0.055 0.000 0.991 454 E CA 1.024 57.460 56.400 0.061 0.000 0.799 454 E CB -0.024 29.689 29.700 0.022 0.000 0.748 454 E HN 0.293 nan 8.360 nan 0.000 0.449 455 A N 1.041 123.872 122.820 0.018 0.000 1.933 455 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 455 A C 2.166 179.747 177.584 -0.005 0.000 1.175 455 A CA 1.065 53.099 52.037 -0.005 0.000 0.628 455 A CB -0.585 18.399 19.000 -0.026 0.000 0.814 455 A HN 0.191 nan 8.150 nan 0.000 0.444 456 L N -1.510 119.728 121.223 0.026 0.000 2.156 456 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 456 L C 2.482 179.448 176.870 0.159 0.000 1.095 456 L CA 1.241 56.111 54.840 0.051 0.000 0.770 456 L CB -0.439 41.700 42.059 0.135 0.000 0.914 456 L HN 0.174 nan 8.230 nan 0.000 0.439 457 K N 0.602 121.118 120.400 0.194 0.000 2.032 457 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 457 K C 1.839 178.486 176.600 0.077 0.000 1.048 457 K CA 1.296 57.670 56.287 0.144 0.000 0.927 457 K CB -0.340 32.238 32.500 0.130 0.000 0.712 457 K HN 0.062 nan 8.250 nan 0.000 0.441 458 N N 0.189 118.920 118.700 0.052 0.000 2.571 458 N HA 0.002 4.742 4.740 -0.000 0.000 0.189 458 N C -0.409 175.105 175.510 0.007 0.000 1.154 458 N CA 0.254 53.318 53.050 0.024 0.000 0.907 458 N CB 0.004 38.497 38.487 0.009 0.000 0.977 458 N HN 0.086 nan 8.380 nan 0.000 0.449 459 L N 0.139 121.371 121.223 0.014 0.000 2.418 459 L HA 0.104 4.444 4.340 -0.000 0.000 0.265 459 L C 1.216 178.097 176.870 0.017 0.000 1.143 459 L CA -0.423 54.415 54.840 -0.003 0.000 0.809 459 L CB 0.718 42.776 42.059 -0.000 0.000 1.124 459 L HN -0.068 nan 8.230 nan 0.000 0.456 460 D N 0.867 121.267 120.400 -0.000 0.000 2.216 460 D HA 0.126 4.766 4.640 -0.000 0.000 0.208 460 D C -0.101 176.215 176.300 0.025 0.000 0.960 460 D CA 0.995 55.008 54.000 0.022 0.000 0.861 460 D CB 0.521 41.339 40.800 0.031 0.000 0.985 460 D HN 0.136 nan 8.370 nan 0.000 0.493 461 L N 0.060 121.291 121.223 0.013 0.000 2.464 461 L HA 0.375 4.715 4.340 -0.000 0.000 0.266 461 L C -2.093 174.791 176.870 0.023 0.000 0.965 461 L CA -0.971 53.871 54.840 0.003 0.000 0.833 461 L CB 2.244 44.280 42.059 -0.038 0.000 1.296 461 L HN -0.150 nan 8.230 nan 0.000 0.405 462 Y N 5.666 125.888 120.300 -0.129 0.000 2.333 462 Y HA 0.716 5.266 4.550 -0.000 0.000 0.324 462 Y C -1.797 173.969 175.900 -0.224 0.000 1.033 462 Y CA -1.193 56.805 58.100 -0.170 0.000 1.224 462 Y CB 1.288 39.713 38.460 -0.058 0.000 1.120 462 Y HN 0.364 nan 8.280 nan 0.000 0.457 463 V N 4.915 124.451 119.914 -0.630 0.000 2.547 463 V HA 0.933 5.053 4.120 -0.000 0.000 0.299 463 V C -0.151 175.565 176.094 -0.631 0.000 1.040 463 V CA -0.453 61.389 62.300 -0.762 0.000 0.913 463 V CB 1.294 32.531 31.823 -0.978 0.000 0.992 463 V HN 0.939 nan 8.190 nan 0.000 0.449 464 A N 5.445 127.963 122.820 -0.505 0.000 2.359 464 A HA 0.863 5.183 4.320 -0.000 0.000 0.303 464 A C -0.860 176.622 177.584 -0.169 0.000 1.066 464 A CA -0.509 51.376 52.037 -0.252 0.000 0.730 464 A CB 0.916 19.750 19.000 -0.278 0.000 1.211 464 A HN 0.758 nan 8.150 nan 0.000 0.439 465 I N 2.583 123.109 120.570 -0.073 0.000 2.355 465 I HA 0.473 4.643 4.170 -0.000 0.000 0.288 465 I C -0.564 175.481 176.117 -0.120 0.000 0.999 465 I CA -0.263 61.005 61.300 -0.054 0.000 1.163 465 I CB 1.315 39.318 38.000 0.005 0.000 1.316 465 I HN 0.667 nan 8.210 nan 0.000 0.454 466 D N 3.509 123.853 120.400 -0.093 0.000 2.838 466 D HA 0.385 5.025 4.640 -0.000 0.000 0.334 466 D C -0.093 176.173 176.300 -0.055 0.000 1.315 466 D CA -0.269 53.673 54.000 -0.098 0.000 0.917 466 D CB 2.793 43.535 40.800 -0.097 0.000 1.435 466 D HN 0.172 nan 8.370 nan 0.000 0.517 467 V N -0.029 119.857 119.914 -0.046 0.000 3.219 467 V HA 0.292 4.412 4.120 -0.000 0.000 0.240 467 V C 0.636 176.700 176.094 -0.050 0.000 1.222 467 V CA 0.255 62.537 62.300 -0.029 0.000 1.181 467 V CB 0.596 32.415 31.823 -0.007 0.000 0.941 467 V HN 0.301 nan 8.190 nan 0.000 0.471 468 L N 1.738 122.928 121.223 -0.055 0.000 2.352 468 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 468 L C -2.411 174.406 176.870 -0.089 0.000 1.034 468 L CA -1.752 53.050 54.840 -0.063 0.000 0.806 468 L CB 1.290 43.320 42.059 -0.048 0.000 1.244 468 L HN -0.015 nan 8.230 nan 0.000 0.447 469 P HA 0.146 nan 4.420 nan 0.000 0.232 469 P C -0.885 176.385 177.300 -0.050 0.000 1.814 469 P CA -0.361 62.676 63.100 -0.105 0.000 1.085 469 P CB 0.462 32.099 31.700 -0.104 0.000 1.901 470 Q N 0.948 120.714 119.800 -0.056 0.000 2.526 470 Q HA 0.033 4.373 4.340 -0.000 0.000 0.207 470 Q C 1.314 177.371 176.000 0.095 0.000 1.078 470 Q CA -0.054 55.779 55.803 0.050 0.000 1.041 470 Q CB 0.981 29.765 28.738 0.076 0.000 1.228 470 Q HN 0.433 nan 8.270 nan 0.000 0.603 471 E N 0.299 120.663 120.200 0.274 0.000 2.208 471 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 471 E C 1.433 178.196 176.600 0.273 0.000 0.988 471 E CA 1.160 57.792 56.400 0.387 0.000 0.828 471 E CB 0.108 30.165 29.700 0.595 0.000 0.763 471 E HN 0.664 nan 8.360 nan 0.000 0.478 472 H N -2.519 116.439 119.070 -0.187 0.000 2.553 472 H HA 0.163 4.719 4.556 -0.000 0.000 0.265 472 H C 1.568 176.832 175.328 -0.105 0.000 0.964 472 H CA 0.371 55.978 56.048 -0.735 0.000 1.156 472 H CB 0.291 29.318 29.762 -1.224 0.000 1.411 472 H HN -0.051 nan 8.280 nan 0.000 0.558 473 V N 0.727 120.203 119.914 -0.731 0.000 2.649 473 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 473 V C 1.465 177.462 176.094 -0.162 0.000 1.054 473 V CA 0.958 62.962 62.300 -0.494 0.000 1.073 473 V CB -0.165 31.383 31.823 -0.458 0.000 0.699 473 V HN 0.472 nan 8.190 nan 0.000 0.463 474 M N -1.617 117.992 119.600 0.015 0.000 2.654 474 M HA 0.089 4.569 4.480 -0.000 0.000 0.217 474 M C 0.699 177.274 176.300 0.459 0.000 1.183 474 M CA 0.315 55.715 55.300 0.168 0.000 0.991 474 M CB -1.233 31.463 32.600 0.162 0.000 1.749 474 M HN 0.468 nan 8.290 nan 0.000 0.475 475 W N 0.420 121.847 121.300 0.212 0.000 2.870 475 W HA 0.495 5.155 4.660 -0.000 0.000 0.358 475 W C 0.674 177.402 176.519 0.349 0.000 1.043 475 W CA -0.622 56.919 57.345 0.327 0.000 1.692 475 W CB 0.279 29.992 29.460 0.423 0.000 1.100 475 W HN 0.094 nan 8.180 nan 0.000 0.557 476 A N 0.716 123.709 122.820 0.288 0.000 2.316 476 A HA 0.423 4.743 4.320 -0.000 0.000 0.284 476 A C -0.184 177.406 177.584 0.010 0.000 1.115 476 A CA -0.353 51.576 52.037 -0.179 0.000 0.812 476 A CB 0.372 18.968 19.000 -0.674 0.000 1.064 476 A HN 0.021 nan 8.150 nan 0.000 0.489 477 D N 1.611 121.961 120.400 -0.083 0.000 2.316 477 D HA 0.409 5.048 4.640 -0.000 0.000 0.245 477 D C -0.184 176.055 176.300 -0.101 0.000 1.171 477 D CA 0.353 54.338 54.000 -0.026 0.000 0.856 477 D CB 0.885 41.698 40.800 0.021 0.000 1.090 477 D HN 0.604 nan 8.370 nan 0.000 0.476 478 V N 1.802 121.677 119.914 -0.066 0.000 3.419 478 V HA -0.245 3.875 4.120 -0.000 0.000 0.488 478 V C -0.198 175.754 176.094 -0.236 0.000 0.682 478 V CA 0.102 62.313 62.300 -0.149 0.000 2.031 478 V CB -1.471 30.270 31.823 -0.136 0.000 2.473 478 V HN 0.552 nan 8.190 nan 0.000 0.503 479 I N 5.577 125.991 120.570 -0.260 0.000 2.406 479 I HA 0.656 4.826 4.170 -0.000 0.000 0.290 479 I C -0.090 175.861 176.117 -0.278 0.000 0.999 479 I CA -0.538 60.578 61.300 -0.308 0.000 1.124 479 I CB 1.778 39.532 38.000 -0.410 0.000 1.289 479 I HN 0.477 nan 8.210 nan 0.000 0.441 480 L N 8.192 129.296 121.223 -0.198 0.000 2.319 480 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 480 L C -2.414 174.448 176.870 -0.013 0.000 1.005 480 L CA -1.868 52.879 54.840 -0.155 0.000 0.828 480 L CB 1.597 43.704 42.059 0.081 0.000 1.227 480 L HN 0.300 nan 8.230 nan 0.000 0.415 481 P HA 0.135 nan 4.420 nan 0.000 0.280 481 P C -0.569 176.883 177.300 0.253 0.000 1.300 481 P CA -0.122 63.033 63.100 0.092 0.000 0.785 481 P CB 1.066 32.786 31.700 0.034 0.000 0.874 482 E N 2.468 122.768 120.200 0.167 0.000 2.349 482 E HA 0.452 4.802 4.350 -0.000 0.000 0.262 482 E C -0.212 176.462 176.600 0.123 0.000 1.088 482 E CA -0.762 55.742 56.400 0.173 0.000 0.899 482 E CB 1.041 30.842 29.700 0.168 0.000 1.044 482 E HN 0.464 nan 8.360 nan 0.000 0.420 483 A N 2.327 125.200 122.820 0.089 0.000 2.316 483 A HA 0.264 4.584 4.320 -0.000 0.000 0.284 483 A C 0.176 177.798 177.584 0.063 0.000 1.115 483 A CA -0.311 51.753 52.037 0.046 0.000 0.812 483 A CB 1.267 20.257 19.000 -0.017 0.000 1.064 483 A HN 0.584 nan 8.150 nan 0.000 0.489 484 T N 0.279 114.843 114.554 0.016 0.000 2.868 484 T HA 0.288 4.638 4.350 -0.000 0.000 0.292 484 T C 1.278 175.988 174.700 0.017 0.000 1.028 484 T CA 0.622 62.738 62.100 0.026 0.000 1.059 484 T CB 0.044 68.870 68.868 -0.070 0.000 0.991 484 T HN 0.659 nan 8.240 nan 0.000 0.531 485 Y N 2.329 122.620 120.300 -0.014 0.000 2.365 485 Y HA -0.081 4.469 4.550 -0.000 0.000 0.287 485 Y C 1.535 177.400 175.900 -0.060 0.000 1.162 485 Y CA 1.261 59.362 58.100 0.002 0.000 1.260 485 Y CB -0.647 37.831 38.460 0.030 0.000 0.976 485 Y HN 0.471 nan 8.280 nan 0.000 0.548 486 L N 0.386 121.171 121.223 -0.730 0.000 2.446 486 L HA 0.045 4.385 4.340 -0.000 0.000 0.219 486 L C 1.203 177.759 176.870 -0.524 0.000 1.116 486 L CA 0.710 55.141 54.840 -0.681 0.000 0.844 486 L CB -0.154 41.433 42.059 -0.787 0.000 0.970 486 L HN 0.260 nan 8.230 nan 0.000 0.457 487 E N 0.006 119.948 120.200 -0.430 0.000 2.496 487 E HA 0.159 4.509 4.350 -0.000 0.000 0.200 487 E C 0.258 176.754 176.600 -0.173 0.000 1.016 487 E CA -0.158 56.017 56.400 -0.375 0.000 0.962 487 E CB 0.617 30.144 29.700 -0.288 0.000 1.071 487 E HN 0.141 nan 8.360 nan 0.000 0.457 488 R N 0.499 120.926 120.500 -0.122 0.000 2.740 488 R HA 0.324 4.664 4.340 -0.000 0.000 0.273 488 R C -1.687 174.649 176.300 0.060 0.000 0.998 488 R CA -0.532 55.589 56.100 0.035 0.000 0.900 488 R CB 1.354 31.719 30.300 0.108 0.000 1.223 488 R HN -0.001 nan 8.270 nan 0.000 0.466 489 Y N 0.827 121.248 120.300 0.202 0.000 2.387 489 Y HA 0.357 4.907 4.550 -0.000 0.000 0.330 489 Y C 0.104 176.117 175.900 0.187 0.000 1.133 489 Y CA -0.044 58.125 58.100 0.115 0.000 1.152 489 Y CB 1.796 40.264 38.460 0.014 0.000 1.215 489 Y HN 0.493 nan 8.280 nan 0.000 0.466 490 D N 0.747 121.317 120.400 0.282 0.000 2.581 490 D HA 0.086 4.726 4.640 -0.000 0.000 0.232 490 D C -1.471 174.858 176.300 0.047 0.000 1.143 490 D CA -0.580 53.572 54.000 0.254 0.000 0.881 490 D CB 2.058 43.011 40.800 0.257 0.000 1.500 490 D HN 0.499 nan 8.370 nan 0.000 0.458 491 D N 0.242 120.697 120.400 0.092 0.000 2.419 491 D HA 0.014 4.654 4.640 -0.000 0.000 0.236 491 D C -0.033 176.219 176.300 -0.079 0.000 1.165 491 D CA 0.209 54.189 54.000 -0.033 0.000 0.882 491 D CB 0.333 41.078 40.800 -0.091 0.000 1.201 491 D HN 0.062 nan 8.370 nan 0.000 0.443 492 F N 0.730 120.662 119.950 -0.030 0.000 2.628 492 F HA 0.086 4.613 4.527 -0.000 0.000 0.346 492 F C 0.893 176.642 175.800 -0.086 0.000 1.188 492 F CA -0.212 57.761 58.000 -0.044 0.000 1.376 492 F CB 0.187 39.143 39.000 -0.074 0.000 1.104 492 F HN -0.052 nan 8.300 nan 0.000 0.616 493 V N 4.124 124.125 119.914 0.145 0.000 2.334 493 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 493 V C -0.163 175.896 176.094 -0.057 0.000 1.016 493 V CA -0.704 61.608 62.300 0.021 0.000 0.832 493 V CB 1.027 32.869 31.823 0.032 0.000 0.999 493 V HN 0.451 nan 8.190 nan 0.000 0.439 494 L N 5.796 126.943 121.223 -0.128 0.000 2.289 494 L HA 0.662 5.002 4.340 -0.000 0.000 0.285 494 L C -0.581 176.098 176.870 -0.319 0.000 1.049 494 L CA -0.733 53.976 54.840 -0.218 0.000 0.804 494 L CB 1.688 43.642 42.059 -0.175 0.000 1.195 494 L HN 0.306 nan 8.230 nan 0.000 0.428 495 V N 2.410 121.990 119.914 -0.556 0.000 2.407 495 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 495 V C 0.476 176.302 176.094 -0.447 0.000 1.018 495 V CA -0.725 61.198 62.300 -0.628 0.000 0.842 495 V CB 1.563 32.688 31.823 -1.162 0.000 0.996 495 V HN 0.888 nan 8.190 nan 0.000 0.426 496 A N 4.483 127.182 122.820 -0.203 0.000 2.488 496 A HA 0.588 4.908 4.320 -0.000 0.000 0.249 496 A C -0.057 177.545 177.584 0.030 0.000 1.083 496 A CA 0.400 52.398 52.037 -0.064 0.000 0.768 496 A CB 0.010 19.003 19.000 -0.013 0.000 1.017 496 A HN 1.014 nan 8.150 nan 0.000 0.496 497 H N 0.806 119.832 119.070 -0.074 0.000 2.917 497 H HA 0.186 4.742 4.556 -0.000 0.000 0.299 497 H C 0.590 175.808 175.328 -0.183 0.000 1.418 497 H CA -0.271 55.738 56.048 -0.064 0.000 1.138 497 H CB 1.056 30.764 29.762 -0.090 0.000 1.830 497 H HN 0.692 nan 8.280 nan 0.000 0.514 498 K N 0.020 119.835 120.400 -0.975 0.000 2.034 498 K HA -0.118 4.202 4.320 -0.000 0.000 0.214 498 K C 0.444 176.876 176.600 -0.280 0.000 1.051 498 K CA 2.289 58.009 56.287 -0.946 0.000 0.931 498 K CB -0.295 31.436 32.500 -1.282 0.000 0.715 498 K HN 0.555 nan 8.250 nan 0.000 0.446 499 T N 0.490 115.093 114.554 0.082 0.000 3.155 499 T HA 0.374 4.724 4.350 -0.000 0.000 0.384 499 T C -2.777 172.049 174.700 0.210 0.000 1.351 499 T CA -2.414 59.744 62.100 0.097 0.000 1.198 499 T CB 1.378 70.277 68.868 0.052 0.000 1.106 499 T HN -0.090 nan 8.240 nan 0.000 0.564 500 P HA 0.225 nan 4.420 nan 0.000 0.264 500 P C -0.582 176.791 177.300 0.122 0.000 1.173 500 P CA -0.009 63.127 63.100 0.060 0.000 0.761 500 P CB 0.028 31.727 31.700 -0.002 0.000 0.794 501 F N 0.300 120.177 119.950 -0.120 0.000 2.664 501 F HA 0.772 5.299 4.527 -0.000 0.000 0.317 501 F C -1.200 174.539 175.800 -0.102 0.000 1.108 501 F CA -1.477 56.447 58.000 -0.127 0.000 0.957 501 F CB 1.155 40.049 39.000 -0.177 0.000 1.365 501 F HN 0.009 nan 8.300 nan 0.000 0.475 502 I N 1.817 122.448 120.570 0.102 0.000 2.498 502 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 502 I C -1.113 175.112 176.117 0.179 0.000 1.032 502 I CA -0.709 60.614 61.300 0.038 0.000 1.073 502 I CB 2.153 40.120 38.000 -0.054 0.000 1.251 502 I HN 0.643 nan 8.210 nan 0.000 0.426 503 Q N 5.771 125.689 119.800 0.196 0.000 2.348 503 Q HA 0.667 5.007 4.340 -0.000 0.000 0.271 503 Q C -1.301 174.853 176.000 0.255 0.000 1.067 503 Q CA -0.961 54.978 55.803 0.227 0.000 0.839 503 Q CB 3.296 32.155 28.738 0.202 0.000 1.354 503 Q HN 0.429 nan 8.270 nan 0.000 0.447 504 L N 2.394 123.741 121.223 0.206 0.000 2.410 504 L HA 0.566 4.906 4.340 -0.000 0.000 0.270 504 L C -1.278 175.663 176.870 0.117 0.000 0.983 504 L CA -0.591 54.311 54.840 0.103 0.000 0.822 504 L CB 1.958 44.092 42.059 0.126 0.000 1.285 504 L HN 0.793 nan 8.230 nan 0.000 0.409 505 R N 2.480 123.028 120.500 0.081 0.000 2.445 505 R HA 0.721 5.061 4.340 -0.000 0.000 0.308 505 R C -1.239 175.074 176.300 0.022 0.000 0.961 505 R CA -0.469 55.686 56.100 0.092 0.000 0.862 505 R CB 1.772 32.145 30.300 0.121 0.000 1.144 505 R HN 0.526 nan 8.270 nan 0.000 0.447 506 T N 4.785 119.284 114.554 -0.092 0.000 2.856 506 T HA 0.434 4.784 4.350 -0.000 0.000 0.283 506 T C -2.562 171.889 174.700 -0.415 0.000 1.008 506 T CA -1.785 60.079 62.100 -0.393 0.000 0.997 506 T CB 1.901 70.671 68.868 -0.163 0.000 0.992 506 T HN 0.496 nan 8.240 nan 0.000 0.454 507 P HA 0.198 nan 4.420 nan 0.000 0.267 507 P C -0.114 177.030 177.300 -0.261 0.000 1.200 507 P CA -0.056 62.819 63.100 -0.375 0.000 0.772 507 P CB 0.494 31.993 31.700 -0.335 0.000 0.855 508 A N 2.419 125.084 122.820 -0.258 0.000 2.147 508 A HA 0.102 4.422 4.320 -0.000 0.000 0.211 508 A C 0.702 178.265 177.584 -0.034 0.000 1.160 508 A CA 0.944 52.888 52.037 -0.154 0.000 0.781 508 A CB -0.558 18.346 19.000 -0.161 0.000 0.842 508 A HN 0.802 nan 8.150 nan 0.000 0.475 509 H N -1.699 117.317 119.070 -0.089 0.000 2.969 509 H HA 0.304 4.860 4.556 -0.000 0.000 0.304 509 H C -1.619 173.672 175.328 -0.062 0.000 1.400 509 H CA -0.501 55.513 56.048 -0.057 0.000 1.182 509 H CB -0.005 29.738 29.762 -0.032 0.000 1.865 509 H HN 0.177 nan 8.280 nan 0.000 0.512 510 E N 1.500 121.804 120.200 0.175 0.000 2.383 510 E HA 0.321 4.671 4.350 -0.000 0.000 0.264 510 E C -2.610 174.062 176.600 0.121 0.000 1.050 510 E CA -1.712 54.737 56.400 0.081 0.000 0.896 510 E CB 0.190 29.915 29.700 0.041 0.000 0.982 510 E HN 0.267 nan 8.360 nan 0.000 0.424 511 P HA -0.118 nan 4.420 nan 0.000 0.268 511 P C -0.993 176.319 177.300 0.019 0.000 1.189 511 P CA 0.202 63.301 63.100 -0.001 0.000 0.771 511 P CB 0.296 31.961 31.700 -0.058 0.000 0.822 512 L N 3.247 124.485 121.223 0.026 0.000 2.334 512 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 512 L C 0.786 177.617 176.870 -0.065 0.000 1.020 512 L CA -0.314 54.423 54.840 -0.172 0.000 0.812 512 L CB -0.494 41.389 42.059 -0.294 0.000 1.264 512 L HN 0.533 nan 8.230 nan 0.000 0.439 513 F N -0.617 119.364 119.950 0.053 0.000 2.183 513 F HA -0.359 4.167 4.527 -0.000 0.000 0.318 513 F C 0.799 176.628 175.800 0.048 0.000 0.958 513 F CA 1.138 59.158 58.000 0.034 0.000 0.912 513 F CB -0.782 38.241 39.000 0.038 0.000 4.135 513 F HN 0.530 nan 8.300 nan 0.000 0.137 514 D N 0.727 121.325 120.400 0.330 0.000 3.123 514 D HA 0.289 4.929 4.640 -0.000 0.000 0.305 514 D C -0.668 175.865 176.300 0.388 0.000 1.373 514 D CA 0.355 54.523 54.000 0.281 0.000 0.889 514 D CB 0.170 41.098 40.800 0.212 0.000 1.070 514 D HN 0.363 nan 8.370 nan 0.000 0.494 515 T N 1.102 115.811 114.554 0.258 0.000 2.875 515 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 515 T C -0.138 174.543 174.700 -0.033 0.000 0.995 515 T CA -0.504 61.724 62.100 0.214 0.000 1.060 515 T CB 1.239 70.218 68.868 0.185 0.000 0.967 515 T HN -0.104 nan 8.240 nan 0.000 0.476 516 K N 3.659 123.994 120.400 -0.110 0.000 2.371 516 K HA 0.465 4.785 4.320 -0.000 0.000 0.251 516 K C -2.705 173.714 176.600 -0.302 0.000 0.934 516 K CA -2.337 53.624 56.287 -0.544 0.000 0.798 516 K CB 2.130 33.855 32.500 -1.292 0.000 1.204 516 K HN 0.312 nan 8.250 nan 0.000 0.427 517 P HA 0.029 nan 4.420 nan 0.000 0.272 517 P C 0.690 177.874 177.300 -0.192 0.000 1.223 517 P CA -0.050 62.902 63.100 -0.246 0.000 0.784 517 P CB 0.594 32.069 31.700 -0.375 0.000 0.923 518 G N 1.545 110.400 108.800 0.091 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 1.349 176.262 174.900 0.021 0.000 1.140 518 G CA 0.042 45.310 45.100 0.280 0.000 0.775 518 G HN 0.725 nan 8.290 nan 0.000 0.545 519 W N -0.386 120.810 121.300 -0.172 0.000 2.358 519 W HA -0.057 4.603 4.660 -0.000 0.000 0.303 519 W C 2.031 178.323 176.519 -0.378 0.000 1.208 519 W CA 0.597 57.504 57.345 -0.731 0.000 1.274 519 W CB -0.978 28.174 29.460 -0.514 0.000 1.138 519 W HN 0.260 nan 8.180 nan 0.000 0.515 520 W N 2.011 122.634 121.300 -1.128 0.000 2.381 520 W HA -0.075 4.585 4.660 -0.000 0.000 0.301 520 W C 2.426 178.589 176.519 -0.593 0.000 1.205 520 W CA 2.375 59.041 57.345 -1.131 0.000 1.285 520 W CB -0.632 27.869 29.460 -1.597 0.000 1.133 520 W HN -0.254 nan 8.180 nan 0.000 0.521 521 I N 0.532 121.028 120.570 -0.123 0.000 2.226 521 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 521 I C 2.604 178.651 176.117 -0.117 0.000 1.100 521 I CA 1.397 62.703 61.300 0.011 0.000 1.374 521 I CB -0.967 37.239 38.000 0.343 0.000 1.057 521 I HN 0.079 nan 8.210 nan 0.000 0.413 522 A N 0.796 123.487 122.820 -0.215 0.000 1.858 522 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 522 A C 2.426 179.472 177.584 -0.896 0.000 1.190 522 A CA 1.851 53.579 52.037 -0.514 0.000 0.617 522 A CB -0.703 17.938 19.000 -0.599 0.000 0.827 522 A HN 0.323 nan 8.150 nan 0.000 0.443 523 R N -0.486 119.392 120.500 -1.036 0.000 2.103 523 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 523 R C 1.918 177.631 176.300 -0.978 0.000 1.142 523 R CA 1.776 57.053 56.100 -1.371 0.000 0.960 523 R CB -0.231 29.594 30.300 -0.792 0.000 0.858 523 R HN 0.476 nan 8.270 nan 0.000 0.439 524 E N 0.413 120.094 120.200 -0.864 0.000 2.204 524 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 524 E C 1.996 178.339 176.600 -0.429 0.000 0.990 524 E CA 1.001 56.960 56.400 -0.734 0.000 0.821 524 E CB -0.025 29.050 29.700 -1.041 0.000 0.750 524 E HN 0.452 nan 8.360 nan 0.000 0.477 525 L N -0.473 120.527 121.223 -0.371 0.000 2.202 525 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 525 L C 2.424 179.166 176.870 -0.213 0.000 1.083 525 L CA 0.811 55.542 54.840 -0.181 0.000 0.790 525 L CB -0.396 41.631 42.059 -0.053 0.000 0.942 525 L HN 0.128 nan 8.230 nan 0.000 0.452 526 G N 0.181 108.716 108.800 -0.443 0.000 2.422 526 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 526 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 526 G C 1.577 176.401 174.900 -0.127 0.000 1.146 526 G CA 0.489 45.387 45.100 -0.337 0.000 0.769 526 G HN 0.195 nan 8.290 nan 0.000 0.547 527 L N -0.617 120.465 121.223 -0.235 0.000 2.072 527 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 527 L C 3.002 179.838 176.870 -0.056 0.000 1.079 527 L CA 0.709 55.477 54.840 -0.120 0.000 0.752 527 L CB -0.340 41.609 42.059 -0.184 0.000 0.906 527 L HN 0.126 nan 8.230 nan 0.000 0.436 528 R N 0.232 120.691 120.500 -0.068 0.000 2.285 528 R HA -0.033 4.307 4.340 -0.000 0.000 0.213 528 R C 1.084 177.420 176.300 0.059 0.000 1.068 528 R CA 0.760 56.856 56.100 -0.007 0.000 1.004 528 R CB -0.008 30.286 30.300 -0.010 0.000 0.873 528 R HN 0.358 nan 8.270 nan 0.000 0.467 529 L N -1.651 119.630 121.223 0.098 0.000 3.066 529 L HA 0.435 4.775 4.340 -0.000 0.000 0.265 529 L C 0.678 177.655 176.870 0.179 0.000 1.232 529 L CA -0.155 54.808 54.840 0.205 0.000 1.031 529 L CB 0.986 43.266 42.059 0.369 0.000 1.379 529 L HN 0.152 nan 8.230 nan 0.000 0.563 530 G N 1.353 110.222 108.800 0.115 0.000 2.160 530 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.244 530 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.244 530 G C 0.242 175.220 174.900 0.130 0.000 1.022 530 G CA 0.320 45.476 45.100 0.093 0.000 0.741 530 G HN 0.383 nan 8.290 nan 0.000 0.508 531 L N 0.158 121.493 121.223 0.188 0.000 3.062 531 L HA 0.289 4.629 4.340 -0.000 0.000 0.255 531 L C 1.989 179.049 176.870 0.317 0.000 1.274 531 L CA -0.103 54.928 54.840 0.318 0.000 1.047 531 L CB -0.022 42.302 42.059 0.441 0.000 1.402 531 L HN 0.232 nan 8.230 nan 0.000 0.550 532 E N 1.205 121.496 120.200 0.151 0.000 2.130 532 E HA -0.304 4.046 4.350 -0.000 0.000 0.196 532 E C 1.760 178.379 176.600 0.033 0.000 0.998 532 E CA 1.456 57.908 56.400 0.087 0.000 0.806 532 E CB -0.249 29.465 29.700 0.024 0.000 0.738 532 E HN 0.739 nan 8.360 nan 0.000 0.459 533 Q N 0.940 120.699 119.800 -0.068 0.000 2.170 533 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 533 Q C 0.191 176.061 176.000 -0.215 0.000 0.976 533 Q CA 0.965 56.649 55.803 -0.198 0.000 0.858 533 Q CB -0.621 27.891 28.738 -0.376 0.000 0.907 533 Q HN 0.387 nan 8.270 nan 0.000 0.433 534 Y N -0.316 120.005 120.300 0.035 0.000 2.313 534 Y HA 0.332 4.882 4.550 -0.000 0.000 0.332 534 Y C -0.282 175.516 175.900 -0.170 0.000 1.071 534 Y CA -0.774 57.284 58.100 -0.071 0.000 1.169 534 Y CB 0.679 39.019 38.460 -0.199 0.000 1.192 534 Y HN 0.046 nan 8.280 nan 0.000 0.487 535 F N 0.231 120.259 119.950 0.131 0.000 2.482 535 F HA -0.237 4.290 4.527 -0.000 0.000 0.321 535 F C -1.526 173.837 175.800 -0.729 0.000 0.626 535 F CA -0.128 57.554 58.000 -0.531 0.000 1.642 535 F CB -1.526 37.236 39.000 -0.396 0.000 2.098 535 F HN 0.387 nan 8.300 nan 0.000 0.295 536 P HA -0.213 nan 4.420 nan 0.000 0.214 536 P C 0.911 178.147 177.300 -0.106 0.000 1.163 536 P CA 2.220 65.269 63.100 -0.085 0.000 0.889 536 P CB -0.338 31.427 31.700 0.109 0.000 0.790 537 W N 0.757 122.127 121.300 0.117 0.000 2.480 537 W HA 0.009 4.669 4.660 -0.000 0.000 0.337 537 W C 0.600 177.157 176.519 0.064 0.000 1.201 537 W CA -0.468 56.933 57.345 0.094 0.000 1.309 537 W CB -0.459 29.006 29.460 0.008 0.000 1.168 537 W HN -0.017 nan 8.180 nan 0.000 0.566 538 K N 0.850 121.400 120.400 0.249 0.000 2.444 538 K HA 0.095 4.415 4.320 -0.000 0.000 0.193 538 K C 0.161 176.913 176.600 0.254 0.000 1.024 538 K CA 0.674 57.058 56.287 0.161 0.000 1.077 538 K CB 0.275 32.852 32.500 0.129 0.000 0.833 538 K HN 0.457 nan 8.250 nan 0.000 0.517 539 T N -1.315 113.453 114.554 0.357 0.000 2.886 539 T HA 0.156 4.506 4.350 -0.000 0.000 0.330 539 T C 0.315 174.919 174.700 -0.160 0.000 1.488 539 T CA -0.719 61.465 62.100 0.139 0.000 1.054 539 T CB 0.760 69.684 68.868 0.092 0.000 1.348 539 T HN -0.022 nan 8.240 nan 0.000 0.489 540 I N 1.403 121.439 120.570 -0.891 0.000 2.361 540 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 540 I C 2.230 177.934 176.117 -0.688 0.000 1.133 540 I CA 1.235 61.849 61.300 -1.144 0.000 1.413 540 I CB -0.596 36.355 38.000 -1.749 0.000 1.073 540 I HN 0.698 nan 8.210 nan 0.000 0.424 541 E N 1.502 121.373 120.200 -0.549 0.000 2.274 541 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 541 E C 1.754 178.240 176.600 -0.191 0.000 0.996 541 E CA 0.971 57.120 56.400 -0.419 0.000 0.840 541 E CB -0.537 28.966 29.700 -0.327 0.000 0.772 541 E HN 0.717 nan 8.360 nan 0.000 0.491 542 E N 0.412 120.545 120.200 -0.112 0.000 2.047 542 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 542 E C 1.890 178.519 176.600 0.048 0.000 0.987 542 E CA 0.822 57.237 56.400 0.026 0.000 0.799 542 E CB -0.182 29.601 29.700 0.138 0.000 0.752 542 E HN 0.323 nan 8.360 nan 0.000 0.449 543 Y N 1.223 121.371 120.300 -0.254 0.000 2.145 543 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 543 Y C 2.040 177.848 175.900 -0.153 0.000 1.145 543 Y CA 1.559 59.404 58.100 -0.423 0.000 1.148 543 Y CB -0.113 37.592 38.460 -1.259 0.000 0.981 543 Y HN -0.018 nan 8.280 nan 0.000 0.507 544 L N -0.154 121.045 121.223 -0.040 0.000 2.217 544 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 544 L C 2.290 179.209 176.870 0.081 0.000 1.107 544 L CA 1.024 55.915 54.840 0.086 0.000 0.783 544 L CB -0.517 41.464 42.059 -0.130 0.000 0.919 544 L HN 0.221 nan 8.230 nan 0.000 0.442 545 E N -0.186 120.011 120.200 -0.005 0.000 2.150 545 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 545 E C 2.167 178.741 176.600 -0.043 0.000 0.985 545 E CA 1.426 57.821 56.400 -0.007 0.000 0.814 545 E CB -0.189 29.505 29.700 -0.009 0.000 0.752 545 E HN 0.427 nan 8.360 nan 0.000 0.466 546 T N 1.418 115.930 114.554 -0.070 0.000 2.708 546 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 546 T C 1.867 176.448 174.700 -0.198 0.000 1.037 546 T CA 1.099 63.106 62.100 -0.154 0.000 1.146 546 T CB -0.062 68.655 68.868 -0.252 0.000 0.865 546 T HN 0.185 nan 8.240 nan 0.000 0.435 547 R N 0.718 121.086 120.500 -0.219 0.000 2.148 547 R HA 0.142 4.482 4.340 -0.000 0.000 0.223 547 R C 2.301 178.420 176.300 -0.301 0.000 1.088 547 R CA 0.778 56.695 56.100 -0.304 0.000 0.985 547 R CB -0.414 29.657 30.300 -0.381 0.000 0.880 547 R HN 0.366 nan 8.270 nan 0.000 0.451 548 L N 0.537 121.643 121.223 -0.194 0.000 2.240 548 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 548 L C 2.404 179.212 176.870 -0.104 0.000 1.106 548 L CA 0.886 55.639 54.840 -0.146 0.000 0.793 548 L CB -0.291 41.751 42.059 -0.030 0.000 0.927 548 L HN 0.215 nan 8.230 nan 0.000 0.446 549 Q N -0.153 119.589 119.800 -0.097 0.000 2.002 549 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 549 Q C 2.484 178.439 176.000 -0.075 0.000 0.988 549 Q CA 2.349 58.107 55.803 -0.074 0.000 0.843 549 Q CB -0.160 28.529 28.738 -0.081 0.000 0.908 549 Q HN 0.444 nan 8.270 nan 0.000 0.420 550 S N 0.224 115.862 115.700 -0.104 0.000 2.372 550 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 550 S C 1.785 176.364 174.600 -0.034 0.000 1.044 550 S CA 1.438 59.593 58.200 -0.075 0.000 1.050 550 S CB -0.371 62.740 63.200 -0.149 0.000 0.901 550 S HN 0.419 nan 8.310 nan 0.000 0.447 551 L N 0.328 121.497 121.223 -0.091 0.000 2.418 551 L HA 0.271 4.611 4.340 -0.000 0.000 0.218 551 L C 1.831 178.687 176.870 -0.024 0.000 1.125 551 L CA 0.512 55.324 54.840 -0.046 0.000 0.835 551 L CB -0.347 41.642 42.059 -0.116 0.000 0.953 551 L HN 0.703 nan 8.230 nan 0.000 0.454 552 G N 0.174 108.955 108.800 -0.033 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 -0.263 174.626 174.900 -0.019 0.000 1.017 552 G CA -0.093 44.995 45.100 -0.020 0.000 0.682 552 G HN 0.211 nan 8.290 nan 0.000 0.504 553 L N -1.417 119.790 121.223 -0.027 0.000 2.510 553 L HA 0.933 5.273 4.340 -0.000 0.000 0.252 553 L C -0.742 176.123 176.870 -0.009 0.000 1.091 553 L CA -1.312 53.521 54.840 -0.012 0.000 0.888 553 L CB 1.270 43.327 42.059 -0.004 0.000 1.507 553 L HN 0.090 nan 8.230 nan 0.000 0.407 554 D N -0.839 119.569 120.400 0.013 0.000 2.585 554 D HA 0.333 4.973 4.640 -0.000 0.000 0.254 554 D C 0.602 176.933 176.300 0.053 0.000 1.067 554 D CA -0.762 53.252 54.000 0.023 0.000 1.090 554 D CB 1.725 42.537 40.800 0.020 0.000 1.408 554 D HN 0.535 nan 8.370 nan 0.000 0.554 555 L N -0.151 121.105 121.223 0.055 0.000 2.012 555 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 555 L C 2.157 179.082 176.870 0.091 0.000 1.073 555 L CA 1.559 56.444 54.840 0.074 0.000 0.748 555 L CB -0.185 41.895 42.059 0.034 0.000 0.891 555 L HN 0.414 nan 8.230 nan 0.000 0.431 556 E N -0.572 119.672 120.200 0.073 0.000 2.118 556 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 556 E C 2.005 178.654 176.600 0.081 0.000 0.992 556 E CA 1.830 58.277 56.400 0.077 0.000 0.804 556 E CB -0.323 29.413 29.700 0.059 0.000 0.741 556 E HN 0.532 nan 8.360 nan 0.000 0.458 557 T N 1.079 115.675 114.554 0.071 0.000 2.942 557 T HA -0.062 4.288 4.350 -0.000 0.000 0.265 557 T C 1.758 176.508 174.700 0.083 0.000 1.062 557 T CA 0.647 62.787 62.100 0.067 0.000 1.139 557 T CB -0.035 68.861 68.868 0.046 0.000 0.883 557 T HN -0.005 nan 8.240 nan 0.000 0.468 558 M N 1.775 121.435 119.600 0.102 0.000 2.159 558 M HA 0.022 4.501 4.480 -0.000 0.000 0.263 558 M C 1.870 178.257 176.300 0.144 0.000 1.063 558 M CA 1.442 56.821 55.300 0.131 0.000 1.110 558 M CB -0.692 32.032 32.600 0.205 0.000 1.374 558 M HN 0.138 nan 8.290 nan 0.000 0.411 559 K N -1.123 119.372 120.400 0.158 0.000 2.209 559 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 559 K C 1.941 178.693 176.600 0.253 0.000 1.048 559 K CA 1.272 57.676 56.287 0.195 0.000 0.940 559 K CB -0.558 32.036 32.500 0.156 0.000 0.729 559 K HN 0.489 nan 8.250 nan 0.000 0.451 560 G N 2.029 110.936 108.800 0.178 0.000 2.421 560 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 560 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 560 G C 1.048 176.076 174.900 0.213 0.000 1.171 560 G CA 0.794 46.005 45.100 0.185 0.000 0.775 560 G HN 0.315 nan 8.290 nan 0.000 0.543 561 M N 0.374 120.006 119.600 0.054 0.000 3.109 561 M HA 0.582 5.062 4.480 -0.000 0.000 0.274 561 M C 1.467 177.603 176.300 -0.275 0.000 1.171 561 M CA -0.257 54.976 55.300 -0.111 0.000 0.856 561 M CB 0.922 33.509 32.600 -0.023 0.000 1.335 561 M HN 0.008 nan 8.290 nan 0.000 0.531 562 G N 1.118 109.529 108.800 -0.648 0.000 3.404 562 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 562 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 562 G C 0.491 175.376 174.900 -0.025 0.000 1.060 562 G CA 1.884 46.725 45.100 -0.431 0.000 0.752 562 G HN 0.558 nan 8.290 nan 0.000 0.717 563 T N -0.527 114.019 114.554 -0.014 0.000 2.887 563 T HA 0.614 4.964 4.350 -0.000 0.000 0.288 563 T C -0.790 173.927 174.700 0.028 0.000 1.021 563 T CA -0.545 61.587 62.100 0.053 0.000 1.000 563 T CB 2.628 71.470 68.868 -0.043 0.000 1.034 563 T HN 0.333 nan 8.240 nan 0.000 0.467 564 L N 2.757 124.023 121.223 0.073 0.000 2.372 564 L HA 0.691 5.031 4.340 -0.000 0.000 0.274 564 L C -1.289 175.625 176.870 0.075 0.000 0.988 564 L CA -0.710 54.154 54.840 0.040 0.000 0.833 564 L CB 1.194 43.261 42.059 0.014 0.000 1.236 564 L HN 0.451 nan 8.230 nan 0.000 0.410 565 V N 4.696 124.629 119.914 0.031 0.000 2.427 565 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 565 V C -0.089 176.019 176.094 0.022 0.000 1.034 565 V CA -0.491 61.834 62.300 0.041 0.000 0.893 565 V CB 1.382 33.184 31.823 -0.035 0.000 0.982 565 V HN 0.792 nan 8.190 nan 0.000 0.452 566 Q N 2.492 122.312 119.800 0.032 0.000 2.378 566 Q HA 0.581 4.921 4.340 -0.000 0.000 0.276 566 Q C -0.577 175.425 176.000 0.002 0.000 1.083 566 Q CA -1.021 54.791 55.803 0.015 0.000 0.856 566 Q CB 2.584 31.335 28.738 0.020 0.000 1.383 566 Q HN 0.594 nan 8.270 nan 0.000 0.458 567 R N -0.312 120.181 120.500 -0.012 0.000 2.349 567 R HA 0.573 4.913 4.340 -0.000 0.000 0.299 567 R C -0.488 175.785 176.300 -0.045 0.000 1.027 567 R CA 0.094 56.176 56.100 -0.031 0.000 0.958 567 R CB 0.719 30.996 30.300 -0.038 0.000 1.047 567 R HN 0.786 nan 8.270 nan 0.000 0.468 568 G N 2.260 111.023 108.800 -0.061 0.000 3.085 568 G HA2 0.449 4.409 3.960 -0.000 0.000 0.264 568 G HA3 0.449 4.409 3.960 -0.000 0.000 0.264 568 G C -1.455 173.374 174.900 -0.119 0.000 1.206 568 G CA -0.595 44.456 45.100 -0.080 0.000 0.809 568 G HN 0.452 nan 8.290 nan 0.000 0.592 569 K N -0.029 120.306 120.400 -0.110 0.000 2.502 569 K HA 0.523 4.843 4.320 -0.000 0.000 0.257 569 K C -2.494 174.038 176.600 -0.112 0.000 0.938 569 K CA -1.592 54.622 56.287 -0.122 0.000 0.819 569 K CB 3.626 36.017 32.500 -0.180 0.000 1.333 569 K HN 0.190 nan 8.250 nan 0.000 0.434 570 P HA 0.184 nan 4.420 nan 0.000 0.322 570 P C -0.843 176.114 177.300 -0.573 0.000 1.268 570 P CA 0.032 62.717 63.100 -0.690 0.000 1.064 570 P CB 0.640 31.450 31.700 -1.483 0.000 1.565 571 W N -0.776 120.632 121.300 0.180 0.000 2.750 571 W HA 0.492 5.152 4.660 -0.000 0.000 0.547 571 W C 1.527 178.151 176.519 0.175 0.000 1.555 571 W CA -0.808 56.616 57.345 0.132 0.000 1.449 571 W CB 0.128 29.656 29.460 0.114 0.000 2.736 571 W HN -0.419 nan 8.180 nan 0.000 0.723 572 L N 0.051 121.509 121.223 0.391 0.000 2.425 572 L HA 0.056 4.396 4.340 -0.000 0.000 0.215 572 L C 2.155 179.224 176.870 0.331 0.000 1.065 572 L CA 0.476 55.465 54.840 0.249 0.000 0.842 572 L CB -0.473 41.597 42.059 0.017 0.000 1.033 572 L HN 0.457 nan 8.230 nan 0.000 0.474 573 E N 0.925 121.303 120.200 0.298 0.000 2.070 573 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 573 E C 1.433 178.166 176.600 0.222 0.000 1.004 573 E CA 1.791 58.332 56.400 0.235 0.000 0.805 573 E CB -0.195 29.614 29.700 0.182 0.000 0.744 573 E HN 0.483 nan 8.360 nan 0.000 0.451 574 D N -0.181 120.362 120.400 0.239 0.000 2.182 574 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 574 D C 1.580 177.870 176.300 -0.016 0.000 0.986 574 D CA 0.946 54.999 54.000 0.090 0.000 0.847 574 D CB -0.443 40.375 40.800 0.029 0.000 0.942 574 D HN 0.323 nan 8.370 nan 0.000 0.467 575 W N 1.118 122.464 121.300 0.076 0.000 2.441 575 W HA 0.073 4.733 4.660 -0.000 0.000 0.302 575 W C 2.588 179.155 176.519 0.081 0.000 1.191 575 W CA 0.394 57.778 57.345 0.066 0.000 1.327 575 W CB -0.362 29.132 29.460 0.056 0.000 1.128 575 W HN -0.050 nan 8.180 nan 0.000 0.522 576 E N 0.483 120.897 120.200 0.357 0.000 2.085 576 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 576 E C 2.005 178.706 176.600 0.169 0.000 0.994 576 E CA 1.481 58.035 56.400 0.256 0.000 0.801 576 E CB -0.059 29.790 29.700 0.248 0.000 0.743 576 E HN 0.170 nan 8.360 nan 0.000 0.453 577 K N 0.284 120.764 120.400 0.132 0.000 2.147 577 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 577 K C 1.821 178.458 176.600 0.062 0.000 1.049 577 K CA 0.933 57.271 56.287 0.085 0.000 0.936 577 K CB -0.038 32.502 32.500 0.066 0.000 0.722 577 K HN 0.126 nan 8.250 nan 0.000 0.446 578 E N -0.137 120.096 120.200 0.054 0.000 2.516 578 E HA -0.047 4.303 4.350 -0.000 0.000 0.199 578 E C 0.583 177.221 176.600 0.064 0.000 1.069 578 E CA 0.302 56.719 56.400 0.028 0.000 0.876 578 E CB 0.100 29.786 29.700 -0.023 0.000 0.843 578 E HN 0.483 nan 8.360 nan 0.000 0.530 579 G N 1.613 110.472 108.800 0.099 0.000 2.147 579 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 579 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 579 G C 0.096 175.083 174.900 0.146 0.000 1.005 579 G CA 0.618 45.783 45.100 0.108 0.000 0.713 579 G HN 0.290 nan 8.290 nan 0.000 0.515 580 R N -1.722 118.904 120.500 0.210 0.000 2.950 580 R HA 0.953 5.293 4.340 -0.000 0.000 0.253 580 R C -1.304 175.222 176.300 0.377 0.000 1.168 580 R CA -1.083 55.190 56.100 0.289 0.000 1.014 580 R CB 1.453 31.953 30.300 0.333 0.000 1.228 580 R HN 0.334 nan 8.270 nan 0.000 0.487 581 L N 0.181 121.628 121.223 0.373 0.000 2.415 581 L HA 0.474 4.814 4.340 -0.000 0.000 0.256 581 L C -1.993 174.910 176.870 0.055 0.000 1.010 581 L CA -1.948 53.049 54.840 0.261 0.000 0.826 581 L CB 2.525 44.851 42.059 0.445 0.000 1.405 581 L HN 0.610 nan 8.230 nan 0.000 0.410 582 P HA 0.092 nan 4.420 nan 0.000 0.209 582 P C 0.742 178.019 177.300 -0.038 0.000 1.196 582 P CA 0.647 63.432 63.100 -0.526 0.000 0.906 582 P CB 0.349 31.409 31.700 -1.066 0.000 0.754 583 F N -0.761 119.134 119.950 -0.092 0.000 2.976 583 F HA -0.324 4.203 4.527 -0.000 0.000 0.231 583 F C 2.021 177.846 175.800 0.042 0.000 1.102 583 F CA 1.876 59.883 58.000 0.012 0.000 1.448 583 F CB -2.085 36.932 39.000 0.028 0.000 0.701 583 F HN 0.272 nan 8.300 nan 0.000 0.507 584 G N -3.156 105.890 108.800 0.410 0.000 2.645 584 G HA2 0.316 4.276 3.960 -0.000 0.000 0.208 584 G HA3 0.316 4.276 3.960 -0.000 0.000 0.208 584 G C 0.476 175.451 174.900 0.124 0.000 1.264 584 G CA 0.523 45.761 45.100 0.229 0.000 0.586 584 G HN 0.615 nan 8.290 nan 0.000 0.952 585 T N 0.378 114.943 114.554 0.018 0.000 3.275 585 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 585 T C 0.721 175.267 174.700 -0.255 0.000 0.988 585 T CA 0.738 62.789 62.100 -0.082 0.000 0.936 585 T CB 1.059 69.894 68.868 -0.054 0.000 1.159 585 T HN 1.557 nan 8.240 nan 0.000 0.519 586 A N 0.291 122.801 122.820 -0.517 0.000 4.143 586 A HA 0.110 4.430 4.320 -0.000 0.000 0.183 586 A C 0.418 177.468 177.584 -0.891 0.000 1.288 586 A CA 0.240 51.938 52.037 -0.564 0.000 1.225 586 A CB -1.735 17.132 19.000 -0.221 0.000 0.987 586 A HN 0.644 nan 8.150 nan 0.000 0.744 587 S N -1.787 112.779 115.700 -1.890 0.000 2.815 587 S HA 0.447 4.917 4.470 -0.000 0.000 0.307 587 S C 0.053 174.256 174.600 -0.661 0.000 0.710 587 S CA 0.042 57.632 58.200 -1.016 0.000 0.706 587 S CB -0.076 62.927 63.200 -0.329 0.000 0.933 587 S HN 2.088 nan 8.310 nan 0.000 0.561 588 G N 3.747 112.839 108.800 0.486 0.000 2.272 588 G HA2 0.283 4.243 3.960 -0.000 0.000 0.247 588 G HA3 0.283 4.243 3.960 -0.000 0.000 0.247 588 G C -0.053 174.902 174.900 0.092 0.000 1.272 588 G CA -0.202 45.168 45.100 0.451 0.000 0.921 588 G HN 0.551 nan 8.290 nan 0.000 0.495 589 K N 4.451 124.863 120.400 0.020 0.000 2.250 589 K HA 0.147 4.467 4.320 -0.000 0.000 0.280 589 K C 1.048 177.616 176.600 -0.052 0.000 1.098 589 K CA -0.673 55.602 56.287 -0.020 0.000 0.916 589 K CB 1.714 34.205 32.500 -0.014 0.000 1.209 589 K HN 0.523 nan 8.250 nan 0.000 0.461 590 I N 1.885 122.394 120.570 -0.101 0.000 2.118 590 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 590 I C 1.984 177.753 176.117 -0.579 0.000 1.070 590 I CA 1.687 62.822 61.300 -0.276 0.000 1.327 590 I CB 0.235 38.129 38.000 -0.176 0.000 1.034 590 I HN 0.599 nan 8.210 nan 0.000 0.405 591 E N 0.652 120.613 120.200 -0.398 0.000 2.110 591 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 591 E C 1.420 177.986 176.600 -0.056 0.000 0.988 591 E CA 1.702 57.875 56.400 -0.378 0.000 0.804 591 E CB -0.020 29.497 29.700 -0.305 0.000 0.745 591 E HN 0.651 nan 8.360 nan 0.000 0.458 592 L N -3.769 117.450 121.223 -0.006 0.000 4.173 592 L HA -0.143 4.197 4.340 -0.000 0.000 0.388 592 L C -1.187 175.829 176.870 0.243 0.000 1.050 592 L CA 0.724 55.657 54.840 0.155 0.000 1.175 592 L CB -2.755 39.486 42.059 0.303 0.000 2.047 592 L HN 0.220 nan 8.230 nan 0.000 0.561 593 Y N -1.440 118.779 120.300 -0.134 0.000 1.881 593 Y HA 0.242 4.792 4.550 -0.000 0.000 0.309 593 Y C 1.172 176.920 175.900 -0.253 0.000 1.164 593 Y CA -0.312 57.600 58.100 -0.313 0.000 1.811 593 Y CB -0.423 37.558 38.460 -0.799 0.000 1.252 593 Y HN 0.226 nan 8.280 nan 0.000 0.376 594 C N 2.139 121.168 119.300 -0.451 0.000 2.403 594 C HA -0.182 4.278 4.460 -0.000 0.000 0.279 594 C C 2.501 177.294 174.990 -0.328 0.000 1.269 594 C CA 2.220 61.084 59.018 -0.256 0.000 1.774 594 C CB -0.814 26.812 27.740 -0.190 0.000 1.993 594 C HN 0.873 nan 8.230 nan 0.000 0.496 595 Q N -0.089 119.269 119.800 -0.736 0.000 2.403 595 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 595 Q C 2.002 177.940 176.000 -0.104 0.000 0.932 595 Q CA 0.551 56.112 55.803 -0.402 0.000 0.945 595 Q CB -0.080 28.438 28.738 -0.366 0.000 1.045 595 Q HN 0.748 nan 8.270 nan 0.000 0.511 596 R N -0.791 119.579 120.500 -0.216 0.000 2.103 596 R HA 0.006 4.346 4.340 -0.000 0.000 0.212 596 R C 1.767 178.073 176.300 0.010 0.000 1.107 596 R CA 0.511 56.452 56.100 -0.265 0.000 1.025 596 R CB -0.662 29.250 30.300 -0.647 0.000 0.929 596 R HN 0.172 nan 8.270 nan 0.000 0.456 597 F N 2.663 122.526 119.950 -0.145 0.000 2.041 597 F HA -0.328 4.199 4.527 -0.000 0.000 0.296 597 F C 1.477 177.263 175.800 -0.024 0.000 1.147 597 F CA 2.341 60.309 58.000 -0.053 0.000 1.214 597 F CB -0.877 38.066 39.000 -0.094 0.000 0.947 597 F HN 0.044 nan 8.300 nan 0.000 0.511 598 K N -0.584 119.842 120.400 0.044 0.000 1.998 598 K HA -0.293 4.027 4.320 -0.000 0.000 0.228 598 K C 1.958 178.560 176.600 0.004 0.000 1.053 598 K CA 2.479 58.710 56.287 -0.092 0.000 0.988 598 K CB -0.542 31.907 32.500 -0.085 0.000 0.735 598 K HN 0.189 nan 8.250 nan 0.000 0.448 599 E N -1.111 119.136 120.200 0.078 0.000 2.452 599 E HA 0.133 4.483 4.350 -0.000 0.000 0.197 599 E C 1.179 177.880 176.600 0.169 0.000 1.022 599 E CA 0.428 56.896 56.400 0.114 0.000 0.890 599 E CB 0.628 30.398 29.700 0.117 0.000 0.918 599 E HN 0.378 nan 8.360 nan 0.000 0.496 600 A N -1.041 121.895 122.820 0.192 0.000 2.063 600 A HA 0.536 4.856 4.320 -0.000 0.000 0.211 600 A C 1.656 179.343 177.584 0.172 0.000 1.177 600 A CA 1.151 53.306 52.037 0.196 0.000 0.759 600 A CB 0.203 19.290 19.000 0.145 0.000 0.857 600 A HN 0.326 nan 8.150 nan 0.000 0.468 601 G N -1.732 107.181 108.800 0.188 0.000 2.793 601 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.197 601 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.197 601 G C 0.103 175.178 174.900 0.291 0.000 2.112 601 G CA 0.130 45.353 45.100 0.206 0.000 1.556 601 G HN 0.775 nan 8.290 nan 0.000 0.534 602 H N 0.523 119.701 119.070 0.180 0.000 2.621 602 H HA 0.669 5.224 4.556 -0.000 0.000 0.360 602 H C 0.855 176.248 175.328 0.109 0.000 1.163 602 H CA -0.434 55.707 56.048 0.155 0.000 1.194 602 H CB 2.088 31.946 29.762 0.159 0.000 1.649 602 H HN 0.294 nan 8.280 nan 0.000 0.532 603 Q N 2.384 122.195 119.800 0.018 0.000 2.252 603 Q HA 0.175 4.515 4.340 -0.000 0.000 0.195 603 Q C -1.861 173.942 176.000 -0.328 0.000 0.974 603 Q CA -0.367 55.294 55.803 -0.237 0.000 0.846 603 Q CB -0.113 28.218 28.738 -0.677 0.000 0.943 603 Q HN 0.485 nan 8.270 nan 0.000 0.516 604 P HA 0.034 nan 4.420 nan 0.000 0.274 604 P C -0.699 175.964 177.300 -1.063 0.000 1.237 604 P CA 0.316 62.891 63.100 -0.876 0.000 0.793 604 P CB 0.297 31.161 31.700 -1.393 0.000 0.977 605 L N 0.345 121.102 121.223 -0.776 0.000 2.930 605 L HA 0.224 4.564 4.340 -0.000 0.000 0.250 605 L C -1.442 175.099 176.870 -0.549 0.000 1.320 605 L CA -0.813 53.426 54.840 -1.002 0.000 1.163 605 L CB -1.235 40.630 42.059 -0.323 0.000 1.542 605 L HN 0.223 nan 8.230 nan 0.000 0.428 606 P HA -0.100 nan 4.420 nan 0.000 0.223 606 P C 1.069 178.311 177.300 -0.097 0.000 1.151 606 P CA 0.570 63.649 63.100 -0.034 0.000 0.787 606 P CB 0.194 32.080 31.700 0.310 0.000 0.788 607 V N 2.837 122.622 119.914 -0.214 0.000 2.032 607 V HA -0.123 3.997 4.120 -0.000 0.000 0.233 607 V C 1.549 177.667 176.094 0.040 0.000 1.578 607 V CA 0.389 62.696 62.300 0.012 0.000 1.560 607 V CB -2.252 29.750 31.823 0.300 0.000 1.556 607 V HN 0.030 nan 8.190 nan 0.000 0.496 608 F N 2.530 122.439 119.950 -0.068 0.000 2.407 608 F HA 0.003 4.530 4.527 -0.000 0.000 0.299 608 F C 1.442 177.191 175.800 -0.085 0.000 1.097 608 F CA 0.264 58.212 58.000 -0.086 0.000 1.422 608 F CB -0.967 37.982 39.000 -0.085 0.000 1.067 608 F HN 0.394 nan 8.300 nan 0.000 0.539 609 T N 4.168 118.329 114.554 -0.656 0.000 2.265 609 T HA -0.162 4.188 4.350 -0.000 0.000 0.553 609 T C -2.338 171.825 174.700 -0.894 0.000 0.873 609 T CA 0.120 61.851 62.100 -0.615 0.000 3.443 609 T CB -1.630 67.109 68.868 -0.214 0.000 1.306 609 T HN 0.221 nan 8.240 nan 0.000 0.297 610 P HA -0.003 nan 4.420 nan 0.000 0.263 610 P C -1.955 175.130 177.300 -0.357 0.000 1.145 610 P CA -0.657 62.000 63.100 -0.738 0.000 0.755 610 P CB -0.073 31.427 31.700 -0.335 0.000 0.746 611 P HA 0.136 nan 4.420 nan 0.000 0.282 611 P C -0.182 177.116 177.300 -0.005 0.000 1.249 611 P CA -0.310 62.727 63.100 -0.105 0.000 0.806 611 P CB 0.807 32.412 31.700 -0.159 0.000 0.984 612 E N 2.094 122.335 120.200 0.068 0.000 2.414 612 E HA -0.002 4.348 4.350 -0.000 0.000 0.263 612 E C -0.240 176.460 176.600 0.167 0.000 1.000 612 E CA 0.180 56.647 56.400 0.112 0.000 0.914 612 E CB 0.474 30.282 29.700 0.179 0.000 0.948 612 E HN 0.369 nan 8.360 nan 0.000 0.444 613 E N 4.169 124.366 120.200 -0.004 0.000 2.250 613 E HA 0.312 4.662 4.350 -0.000 0.000 0.269 613 E C -2.241 173.986 176.600 -0.622 0.000 1.018 613 E CA -2.081 54.235 56.400 -0.140 0.000 0.873 613 E CB 0.993 30.627 29.700 -0.110 0.000 1.134 613 E HN 0.402 nan 8.360 nan 0.000 0.403 614 P HA 0.130 nan 4.420 nan 0.000 0.271 614 P C -2.477 174.429 177.300 -0.656 0.000 1.216 614 P CA -1.065 61.299 63.100 -1.227 0.000 0.776 614 P CB -0.331 31.090 31.700 -0.464 0.000 0.881 615 P HA 0.113 nan 4.420 nan 0.000 0.274 615 P C -0.238 177.013 177.300 -0.081 0.000 1.237 615 P CA -0.406 62.513 63.100 -0.302 0.000 0.793 615 P CB 0.289 31.782 31.700 -0.344 0.000 0.977 616 E N 0.850 121.023 120.200 -0.046 0.000 2.415 616 E HA 0.236 4.586 4.350 -0.000 0.000 0.263 616 E C 0.706 177.343 176.600 0.063 0.000 0.995 616 E CA 0.244 56.627 56.400 -0.029 0.000 0.915 616 E CB -0.660 29.018 29.700 -0.037 0.000 0.951 616 E HN 0.752 nan 8.360 nan 0.000 0.449 617 G N 2.896 111.664 108.800 -0.055 0.000 2.194 617 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 617 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 617 G C -0.259 174.448 174.900 -0.321 0.000 0.987 617 G CA 0.075 45.094 45.100 -0.135 0.000 0.635 617 G HN 0.461 nan 8.290 nan 0.000 0.520 618 F N -0.618 119.158 119.950 -0.291 0.000 2.594 618 F HA 0.868 5.395 4.527 -0.000 0.000 0.335 618 F C 0.159 175.652 175.800 -0.510 0.000 1.058 618 F CA -1.194 56.671 58.000 -0.224 0.000 0.981 618 F CB 1.382 40.338 39.000 -0.074 0.000 1.289 618 F HN -0.001 nan 8.300 nan 0.000 0.490 619 Y N -0.444 120.065 120.300 0.348 0.000 2.553 619 Y HA 0.464 5.014 4.550 -0.000 0.000 0.347 619 Y C -0.215 175.921 175.900 0.394 0.000 1.019 619 Y CA -1.310 56.958 58.100 0.280 0.000 1.032 619 Y CB 1.621 40.203 38.460 0.202 0.000 1.284 619 Y HN 0.362 nan 8.280 nan 0.000 0.466 620 R N 2.357 123.176 120.500 0.530 0.000 2.491 620 R HA 0.299 4.639 4.340 -0.000 0.000 0.283 620 R C -0.969 175.531 176.300 0.333 0.000 1.072 620 R CA -0.358 56.036 56.100 0.491 0.000 1.048 620 R CB 0.387 30.939 30.300 0.420 0.000 0.983 620 R HN 0.765 nan 8.270 nan 0.000 0.450 621 L N 7.309 128.675 121.223 0.238 0.000 2.268 621 L HA 0.258 4.598 4.340 -0.000 0.000 0.289 621 L C -0.851 176.110 176.870 0.152 0.000 1.064 621 L CA -0.270 54.678 54.840 0.181 0.000 0.824 621 L CB 0.401 42.547 42.059 0.145 0.000 1.202 621 L HN 0.638 nan 8.230 nan 0.000 0.433 622 L N 5.356 126.641 121.223 0.103 0.000 2.358 622 L HA 0.571 4.911 4.340 -0.000 0.000 0.268 622 L C -0.823 175.986 176.870 -0.102 0.000 1.032 622 L CA -0.855 53.966 54.840 -0.032 0.000 0.805 622 L CB 1.652 43.724 42.059 0.021 0.000 1.253 622 L HN 0.505 nan 8.230 nan 0.000 0.452 623 Y N -1.081 119.095 120.300 -0.206 0.000 2.689 623 Y HA 0.893 5.443 4.550 -0.000 0.000 0.333 623 Y C -0.322 175.436 175.900 -0.236 0.000 1.208 623 Y CA -0.710 57.128 58.100 -0.436 0.000 1.055 623 Y CB 1.420 39.730 38.460 -0.249 0.000 1.304 623 Y HN 0.676 nan 8.280 nan 0.000 0.455 624 G N 0.513 109.279 108.800 -0.058 0.000 2.450 624 G HA2 0.525 4.485 3.960 -0.000 0.000 0.273 624 G HA3 0.525 4.485 3.960 -0.000 0.000 0.273 624 G C -1.806 173.263 174.900 0.281 0.000 1.221 624 G CA -1.439 43.768 45.100 0.179 0.000 0.900 624 G HN 0.527 nan 8.290 nan 0.000 0.483 625 R N 0.054 120.794 120.500 0.401 0.000 2.540 625 R HA 0.724 5.064 4.340 -0.000 0.000 0.287 625 R C -0.413 175.935 176.300 0.081 0.000 0.980 625 R CA -0.623 55.555 56.100 0.131 0.000 0.966 625 R CB 1.392 31.647 30.300 -0.076 0.000 1.106 625 R HN 0.510 nan 8.270 nan 0.000 0.480 626 S N 2.539 118.290 115.700 0.086 0.000 2.462 626 S HA 0.282 4.751 4.470 -0.000 0.000 0.294 626 S C -1.402 173.196 174.600 -0.004 0.000 1.144 626 S CA -1.744 56.527 58.200 0.120 0.000 1.088 626 S CB 0.999 64.373 63.200 0.290 0.000 1.009 626 S HN 0.359 nan 8.310 nan 0.000 0.484 627 P HA -0.080 nan 4.420 nan 0.000 0.222 627 P C 0.876 178.096 177.300 -0.135 0.000 1.142 627 P CA 0.903 63.933 63.100 -0.116 0.000 0.788 627 P CB 0.144 31.785 31.700 -0.097 0.000 0.767 628 V N -2.039 117.802 119.914 -0.121 0.000 3.605 628 V HA 0.143 4.263 4.120 -0.000 0.000 0.284 628 V C 0.746 176.626 176.094 -0.357 0.000 1.386 628 V CA 0.255 62.422 62.300 -0.223 0.000 1.053 628 V CB -0.444 31.246 31.823 -0.222 0.000 0.857 628 V HN 0.176 nan 8.190 nan 0.000 0.436 629 H N -0.004 119.008 119.070 -0.096 0.000 2.572 629 H HA 0.475 5.031 4.556 -0.000 0.000 0.359 629 H C -0.459 174.730 175.328 -0.232 0.000 1.134 629 H CA -0.158 55.805 56.048 -0.141 0.000 1.187 629 H CB 2.099 31.795 29.762 -0.110 0.000 1.597 629 H HN 0.048 nan 8.280 nan 0.000 0.524 630 T N 4.041 118.502 114.554 -0.156 0.000 2.799 630 T HA 0.185 4.535 4.350 -0.000 0.000 0.286 630 T C 1.022 175.551 174.700 -0.285 0.000 0.973 630 T CA -0.383 61.482 62.100 -0.393 0.000 1.035 630 T CB 0.465 69.096 68.868 -0.395 0.000 0.932 630 T HN 0.515 nan 8.240 nan 0.000 0.469 631 F N 1.492 121.414 119.950 -0.046 0.000 2.703 631 F HA -0.447 4.080 4.527 -0.000 0.000 0.237 631 F C 2.197 177.854 175.800 -0.238 0.000 1.387 631 F CA 1.856 59.854 58.000 -0.004 0.000 1.850 631 F CB -1.288 37.756 39.000 0.073 0.000 0.553 631 F HN 0.616 nan 8.300 nan 0.000 0.364 632 A N -0.847 122.007 122.820 0.057 0.000 2.009 632 A HA 0.164 4.483 4.320 -0.000 0.000 0.197 632 A C 1.678 179.231 177.584 -0.052 0.000 1.471 632 A CA 0.308 52.240 52.037 -0.175 0.000 0.973 632 A CB -0.256 18.536 19.000 -0.347 0.000 1.020 632 A HN 0.474 nan 8.150 nan 0.000 0.476 633 R N 0.374 120.885 120.500 0.017 0.000 2.421 633 R HA -0.038 4.301 4.340 -0.000 0.000 0.208 633 R C 0.601 176.872 176.300 -0.047 0.000 1.103 633 R CA 1.652 57.752 56.100 -0.000 0.000 1.065 633 R CB -0.832 29.492 30.300 0.039 0.000 0.839 633 R HN 0.254 nan 8.270 nan 0.000 0.480 634 T N 0.004 114.520 114.554 -0.062 0.000 3.043 634 T HA 0.109 4.459 4.350 -0.000 0.000 0.272 634 T C 0.981 175.700 174.700 0.031 0.000 0.990 634 T CA -0.290 61.805 62.100 -0.008 0.000 0.897 634 T CB 0.244 69.130 68.868 0.031 0.000 1.111 634 T HN 0.250 nan 8.240 nan 0.000 0.529 635 Q N 0.665 120.369 119.800 -0.161 0.000 2.488 635 Q HA 0.123 4.463 4.340 -0.000 0.000 0.211 635 Q C 1.176 177.072 176.000 -0.174 0.000 0.967 635 Q CA 0.738 56.362 55.803 -0.298 0.000 0.926 635 Q CB -0.208 28.229 28.738 -0.501 0.000 0.992 635 Q HN 0.418 nan 8.270 nan 0.000 0.506 636 N N 0.728 119.354 118.700 -0.123 0.000 2.184 636 N HA -0.030 4.710 4.740 -0.000 0.000 0.206 636 N C -0.374 175.151 175.510 0.025 0.000 1.151 636 N CA -0.116 52.901 53.050 -0.054 0.000 0.878 636 N CB 0.387 38.824 38.487 -0.083 0.000 1.014 636 N HN 0.007 nan 8.380 nan 0.000 0.512 637 N N 1.377 120.085 118.700 0.012 0.000 2.405 637 N HA -0.061 4.679 4.740 -0.000 0.000 0.260 637 N C 1.228 176.771 175.510 0.055 0.000 1.152 637 N CA -0.230 52.809 53.050 -0.018 0.000 0.948 637 N CB 0.221 38.661 38.487 -0.079 0.000 1.111 637 N HN 0.395 nan 8.380 nan 0.000 0.485 638 W N 4.489 125.803 121.300 0.023 0.000 2.374 638 W HA -0.087 4.573 4.660 -0.000 0.000 0.288 638 W C 0.452 176.990 176.519 0.032 0.000 1.218 638 W CA 0.232 57.598 57.345 0.036 0.000 1.245 638 W CB -0.649 28.834 29.460 0.038 0.000 1.126 638 W HN 0.214 nan 8.180 nan 0.000 0.545 639 V N 2.358 121.949 119.914 -0.539 0.000 2.515 639 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 639 V C 2.524 178.520 176.094 -0.164 0.000 1.058 639 V CA 1.684 63.672 62.300 -0.520 0.000 1.064 639 V CB -0.644 30.736 31.823 -0.740 0.000 0.675 639 V HN 0.190 nan 8.190 nan 0.000 0.461 640 L N -1.707 119.422 121.223 -0.156 0.000 2.298 640 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 640 L C 2.392 179.223 176.870 -0.065 0.000 1.084 640 L CA 0.533 55.262 54.840 -0.185 0.000 0.816 640 L CB -0.352 41.532 42.059 -0.292 0.000 0.967 640 L HN 0.245 nan 8.230 nan 0.000 0.460 641 M N -0.210 119.480 119.600 0.151 0.000 2.319 641 M HA -0.166 4.314 4.480 -0.000 0.000 0.265 641 M C 2.001 178.444 176.300 0.238 0.000 1.068 641 M CA 1.373 56.857 55.300 0.307 0.000 1.118 641 M CB -0.648 32.113 32.600 0.268 0.000 1.395 641 M HN 0.269 nan 8.290 nan 0.000 0.435 642 E N -0.404 119.918 120.200 0.203 0.000 2.347 642 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 642 E C 1.760 178.440 176.600 0.132 0.000 1.008 642 E CA 0.628 57.143 56.400 0.191 0.000 0.852 642 E CB 0.330 30.192 29.700 0.272 0.000 0.783 642 E HN 0.295 nan 8.360 nan 0.000 0.505 643 M N 0.059 119.714 119.600 0.092 0.000 2.394 643 M HA 0.082 4.562 4.480 -0.000 0.000 0.266 643 M C 0.126 176.480 176.300 0.090 0.000 1.098 643 M CA 0.750 56.082 55.300 0.053 0.000 1.149 643 M CB 0.092 32.680 32.600 -0.019 0.000 1.369 643 M HN -0.088 nan 8.290 nan 0.000 0.450 644 D N 0.136 120.641 120.400 0.175 0.000 2.445 644 D HA 0.227 4.867 4.640 -0.000 0.000 0.236 644 D C -2.261 174.325 176.300 0.477 0.000 1.315 644 D CA -1.150 53.025 54.000 0.293 0.000 0.924 644 D CB 1.419 42.417 40.800 0.329 0.000 1.447 644 D HN -0.084 nan 8.370 nan 0.000 0.532 645 P HA 0.072 nan 4.420 nan 0.000 0.241 645 P C -0.554 176.862 177.300 0.193 0.000 1.191 645 P CA 0.590 63.846 63.100 0.260 0.000 0.771 645 P CB 0.176 31.976 31.700 0.167 0.000 0.929 646 E N -1.389 118.785 120.200 -0.045 0.000 2.409 646 E HA 0.270 4.620 4.350 -0.000 0.000 0.280 646 E C -1.220 174.903 176.600 -0.795 0.000 1.079 646 E CA -1.151 54.970 56.400 -0.464 0.000 0.840 646 E CB 0.414 30.028 29.700 -0.143 0.000 1.309 646 E HN 0.003 nan 8.360 nan 0.000 0.447 647 N N 0.281 118.349 118.700 -1.053 0.000 2.447 647 N HA 0.512 5.252 4.740 -0.000 0.000 0.271 647 N C -0.980 174.375 175.510 -0.259 0.000 1.226 647 N CA -0.903 51.775 53.050 -0.619 0.000 0.980 647 N CB 1.150 39.325 38.487 -0.520 0.000 1.206 647 N HN 0.503 nan 8.380 nan 0.000 0.558 648 E N -0.033 120.118 120.200 -0.080 0.000 2.278 648 E HA 0.250 4.600 4.350 -0.000 0.000 0.272 648 E C -1.366 175.332 176.600 0.163 0.000 0.890 648 E CA -0.833 55.559 56.400 -0.012 0.000 0.770 648 E CB 2.374 32.073 29.700 -0.001 0.000 1.212 648 E HN 0.342 nan 8.360 nan 0.000 0.415 649 V N 1.893 121.858 119.914 0.086 0.000 2.455 649 V HA 0.220 4.340 4.120 -0.000 0.000 0.273 649 V C -0.602 175.655 176.094 0.271 0.000 1.045 649 V CA -0.646 61.750 62.300 0.161 0.000 0.976 649 V CB -0.208 31.637 31.823 0.037 0.000 0.993 649 V HN 0.606 nan 8.190 nan 0.000 0.475 650 W N 6.170 127.489 121.300 0.032 0.000 2.332 650 W HA 0.714 5.374 4.660 -0.000 0.000 0.306 650 W C -0.341 176.164 176.519 -0.025 0.000 1.149 650 W CA -1.014 56.348 57.345 0.029 0.000 1.271 650 W CB 0.158 29.688 29.460 0.116 0.000 1.243 650 W HN 0.422 nan 8.180 nan 0.000 0.459 651 I N 1.184 121.804 120.570 0.083 0.000 2.689 651 I HA 0.285 4.455 4.170 -0.000 0.000 0.299 651 I C 0.255 176.376 176.117 0.006 0.000 1.059 651 I CA -1.479 59.808 61.300 -0.021 0.000 1.055 651 I CB 1.271 39.185 38.000 -0.143 0.000 1.243 651 I HN 0.291 nan 8.210 nan 0.000 0.425 652 H N 3.968 123.039 119.070 0.002 0.000 2.897 652 H HA 0.127 4.683 4.556 -0.000 0.000 0.347 652 H C 0.660 175.988 175.328 -0.000 0.000 1.068 652 H CA 0.838 56.905 56.048 0.031 0.000 1.426 652 H CB 1.157 30.960 29.762 0.068 0.000 1.410 652 H HN 0.641 nan 8.280 nan 0.000 0.597 653 K N 3.039 123.195 120.400 -0.406 0.000 2.089 653 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 653 K C 1.853 178.513 176.600 0.100 0.000 1.048 653 K CA 2.241 58.443 56.287 -0.142 0.000 0.926 653 K CB 0.110 32.476 32.500 -0.223 0.000 0.714 653 K HN 0.668 nan 8.250 nan 0.000 0.448 654 E N -0.165 120.268 120.200 0.388 0.000 2.285 654 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 654 E C 1.752 178.448 176.600 0.160 0.000 0.997 654 E CA 0.604 57.145 56.400 0.235 0.000 0.845 654 E CB 0.285 30.094 29.700 0.181 0.000 0.782 654 E HN 0.234 nan 8.360 nan 0.000 0.491 655 E N 0.299 120.616 120.200 0.195 0.000 2.051 655 E HA -0.059 4.291 4.350 -0.000 0.000 0.189 655 E C 2.110 178.762 176.600 0.088 0.000 0.979 655 E CA 0.880 57.369 56.400 0.148 0.000 0.803 655 E CB -0.268 29.543 29.700 0.185 0.000 0.761 655 E HN 0.209 nan 8.360 nan 0.000 0.451 656 A N 1.815 124.663 122.820 0.046 0.000 2.024 656 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 656 A C 2.113 179.708 177.584 0.017 0.000 1.164 656 A CA 1.593 53.634 52.037 0.007 0.000 0.643 656 A CB -0.382 18.599 19.000 -0.032 0.000 0.806 656 A HN 0.081 nan 8.150 nan 0.000 0.451 657 K N -0.662 119.757 120.400 0.033 0.000 2.076 657 K HA -0.071 4.248 4.320 -0.000 0.000 0.204 657 K C 2.364 178.982 176.600 0.030 0.000 1.051 657 K CA 0.961 57.264 56.287 0.026 0.000 0.949 657 K CB -0.172 32.346 32.500 0.031 0.000 0.726 657 K HN 0.455 nan 8.250 nan 0.000 0.443 658 R N 0.755 121.281 120.500 0.044 0.000 2.066 658 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 658 R C 1.029 177.351 176.300 0.037 0.000 1.131 658 R CA 0.524 56.649 56.100 0.040 0.000 0.955 658 R CB -0.212 30.118 30.300 0.050 0.000 0.851 658 R HN 0.088 nan 8.270 nan 0.000 0.432 659 L N -0.822 120.428 121.223 0.046 0.000 2.456 659 L HA 0.100 4.440 4.340 -0.000 0.000 0.246 659 L C 1.044 177.927 176.870 0.022 0.000 1.238 659 L CA 0.309 55.171 54.840 0.037 0.000 0.826 659 L CB 0.170 42.255 42.059 0.044 0.000 1.150 659 L HN 0.280 nan 8.230 nan 0.000 0.514 660 G N 1.243 110.052 108.800 0.015 0.000 4.699 660 G HA2 0.516 4.476 3.960 -0.000 0.000 0.308 660 G HA3 0.516 4.476 3.960 -0.000 0.000 0.308 660 G C -0.477 174.425 174.900 0.003 0.000 1.399 660 G CA -0.323 44.783 45.100 0.009 0.000 1.221 660 G HN 0.213 nan 8.290 nan 0.000 0.596 661 L N 1.203 122.425 121.223 -0.002 0.000 2.307 661 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 661 L C 0.313 177.167 176.870 -0.027 0.000 1.023 661 L CA -0.924 53.907 54.840 -0.015 0.000 0.810 661 L CB 1.908 43.953 42.059 -0.024 0.000 1.231 661 L HN 0.265 nan 8.230 nan 0.000 0.423 662 K N 1.008 121.389 120.400 -0.032 0.000 2.208 662 K HA 0.456 4.776 4.320 -0.000 0.000 0.241 662 K C 0.273 176.835 176.600 -0.063 0.000 1.087 662 K CA -0.852 55.410 56.287 -0.042 0.000 0.883 662 K CB 1.342 33.825 32.500 -0.029 0.000 1.360 662 K HN 0.319 nan 8.250 nan 0.000 0.496 663 E N 0.284 120.444 120.200 -0.067 0.000 2.086 663 E HA -0.208 4.142 4.350 -0.000 0.000 0.205 663 E C 1.487 178.032 176.600 -0.092 0.000 1.027 663 E CA 2.552 58.901 56.400 -0.085 0.000 0.830 663 E CB -0.514 29.142 29.700 -0.073 0.000 0.751 663 E HN 0.790 nan 8.360 nan 0.000 0.456 664 G N -0.312 108.457 108.800 -0.053 0.000 3.284 664 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.236 664 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.236 664 G C -0.390 174.505 174.900 -0.008 0.000 1.158 664 G CA -0.265 44.817 45.100 -0.031 0.000 0.774 664 G HN 0.081 nan 8.290 nan 0.000 0.545 665 D N -0.123 120.248 120.400 -0.049 0.000 2.360 665 D HA 0.346 4.986 4.640 -0.000 0.000 0.242 665 D C -0.446 175.769 176.300 -0.142 0.000 1.184 665 D CA 0.310 54.312 54.000 0.003 0.000 0.930 665 D CB 0.819 41.614 40.800 -0.008 0.000 1.161 665 D HN 0.124 nan 8.370 nan 0.000 0.447 666 Y N -0.770 119.519 120.300 -0.019 0.000 2.587 666 Y HA 0.621 5.171 4.550 -0.000 0.000 0.337 666 Y C 0.134 176.025 175.900 -0.014 0.000 1.065 666 Y CA -0.742 57.347 58.100 -0.018 0.000 1.126 666 Y CB 1.786 40.235 38.460 -0.018 0.000 1.279 666 Y HN 0.015 nan 8.280 nan 0.000 0.489 667 V N 2.603 122.585 119.914 0.114 0.000 3.204 667 V HA 0.389 4.509 4.120 -0.000 0.000 0.298 667 V C -1.177 174.956 176.094 0.064 0.000 1.328 667 V CA -1.097 61.239 62.300 0.060 0.000 1.035 667 V CB 2.525 34.351 31.823 0.004 0.000 1.095 667 V HN 0.601 nan 8.190 nan 0.000 0.442 668 M N 3.868 123.496 119.600 0.048 0.000 2.363 668 M HA 0.579 5.059 4.480 -0.000 0.000 0.343 668 M C -0.821 175.503 176.300 0.039 0.000 1.165 668 M CA -0.378 54.947 55.300 0.043 0.000 1.046 668 M CB 1.319 33.940 32.600 0.036 0.000 1.648 668 M HN 0.359 nan 8.290 nan 0.000 0.452 669 L N 2.867 124.118 121.223 0.046 0.000 2.282 669 L HA 0.590 4.930 4.340 -0.000 0.000 0.288 669 L C -0.635 176.279 176.870 0.075 0.000 1.033 669 L CA -0.835 54.042 54.840 0.062 0.000 0.807 669 L CB 1.328 43.429 42.059 0.071 0.000 1.209 669 L HN 0.344 nan 8.230 nan 0.000 0.423 670 V N 2.858 122.822 119.914 0.083 0.000 2.448 670 V HA 0.313 4.433 4.120 -0.000 0.000 0.295 670 V C -0.007 176.213 176.094 0.210 0.000 1.025 670 V CA -0.839 61.528 62.300 0.111 0.000 0.859 670 V CB 1.542 33.410 31.823 0.075 0.000 0.988 670 V HN 0.906 nan 8.190 nan 0.000 0.431 671 N N 3.561 122.394 118.700 0.222 0.000 2.447 671 N HA 0.179 4.919 4.740 -0.000 0.000 0.271 671 N C 1.014 176.735 175.510 0.352 0.000 1.226 671 N CA -0.708 52.519 53.050 0.295 0.000 0.980 671 N CB 0.770 39.357 38.487 0.167 0.000 1.206 671 N HN 0.635 nan 8.380 nan 0.000 0.558 672 Q N 0.056 120.004 119.800 0.247 0.000 2.308 672 Q HA -0.198 4.142 4.340 -0.000 0.000 0.209 672 Q C -0.289 175.754 176.000 0.071 0.000 0.985 672 Q CA 1.682 57.504 55.803 0.033 0.000 0.881 672 Q CB -0.420 28.255 28.738 -0.105 0.000 0.917 672 Q HN 0.648 nan 8.270 nan 0.000 0.443 673 D N 0.071 120.522 120.400 0.085 0.000 2.388 673 D HA 0.225 4.865 4.640 -0.000 0.000 0.221 673 D C 0.770 177.116 176.300 0.078 0.000 1.133 673 D CA 0.636 54.673 54.000 0.061 0.000 0.831 673 D CB 0.552 41.370 40.800 0.031 0.000 0.962 673 D HN 0.494 nan 8.370 nan 0.000 0.502 674 G N 0.493 109.363 108.800 0.116 0.000 2.205 674 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.261 674 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.261 674 G C 0.575 175.528 174.900 0.088 0.000 0.980 674 G CA 0.243 45.404 45.100 0.103 0.000 0.632 674 G HN 0.319 nan 8.290 nan 0.000 0.533 675 V N 1.164 121.129 119.914 0.086 0.000 2.585 675 V HA 0.354 4.474 4.120 -0.000 0.000 0.296 675 V C 0.808 176.952 176.094 0.084 0.000 1.035 675 V CA 0.439 62.787 62.300 0.080 0.000 1.084 675 V CB 1.276 33.148 31.823 0.081 0.000 0.953 675 V HN 0.358 nan 8.190 nan 0.000 0.483 676 K N 3.480 123.919 120.400 0.065 0.000 2.159 676 K HA 0.473 4.793 4.320 -0.000 0.000 0.266 676 K C -0.391 176.231 176.600 0.036 0.000 0.975 676 K CA -0.586 55.733 56.287 0.052 0.000 0.865 676 K CB 1.212 33.734 32.500 0.037 0.000 1.087 676 K HN 0.524 nan 8.250 nan 0.000 0.446 677 E N 1.593 121.814 120.200 0.034 0.000 2.182 677 E HA 0.193 4.543 4.350 -0.000 0.000 0.258 677 E C -0.228 176.376 176.600 0.007 0.000 0.879 677 E CA -0.463 55.942 56.400 0.009 0.000 0.754 677 E CB 1.509 31.227 29.700 0.031 0.000 1.162 677 E HN 0.839 nan 8.360 nan 0.000 0.419 678 G N 5.525 114.313 108.800 -0.021 0.000 3.227 678 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 678 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 678 G C -2.062 172.855 174.900 0.030 0.000 0.739 678 G CA -0.689 44.404 45.100 -0.011 0.000 1.073 678 G HN 0.322 nan 8.290 nan 0.000 0.352 679 P HA 0.225 nan 4.420 nan 0.000 0.263 679 P C -0.019 177.418 177.300 0.227 0.000 1.195 679 P CA 0.048 63.228 63.100 0.133 0.000 0.762 679 P CB 0.743 32.503 31.700 0.101 0.000 0.799 680 V N 3.098 123.125 119.914 0.188 0.000 2.715 680 V HA 0.511 4.631 4.120 -0.000 0.000 0.310 680 V C 0.700 176.662 176.094 -0.221 0.000 1.054 680 V CA -1.322 61.010 62.300 0.054 0.000 0.928 680 V CB 1.795 33.605 31.823 -0.021 0.000 1.007 680 V HN 0.411 nan 8.190 nan 0.000 0.437 681 R N 1.302 121.519 120.500 -0.471 0.000 2.543 681 R HA 0.519 4.859 4.340 -0.000 0.000 0.277 681 R C -0.802 175.262 176.300 -0.394 0.000 1.074 681 R CA -0.266 55.337 56.100 -0.829 0.000 1.076 681 R CB 1.271 31.174 30.300 -0.661 0.000 0.993 681 R HN 0.675 nan 8.270 nan 0.000 0.459 682 V N 4.574 124.270 119.914 -0.364 0.000 2.546 682 V HA 0.159 4.279 4.120 -0.000 0.000 0.284 682 V C 0.473 176.454 176.094 -0.189 0.000 1.050 682 V CA -0.036 62.143 62.300 -0.202 0.000 0.981 682 V CB 1.450 33.179 31.823 -0.157 0.000 0.990 682 V HN 0.624 nan 8.190 nan 0.000 0.474 683 K N 6.495 126.800 120.400 -0.158 0.000 2.753 683 K HA 0.317 4.637 4.320 -0.000 0.000 0.185 683 K C -2.202 174.263 176.600 -0.226 0.000 1.071 683 K CA -1.641 54.509 56.287 -0.229 0.000 0.999 683 K CB 1.652 33.950 32.500 -0.337 0.000 1.244 683 K HN 0.397 nan 8.250 nan 0.000 0.594 684 P HA -0.048 nan 4.420 nan 0.000 0.261 684 P C -0.305 176.871 177.300 -0.208 0.000 1.297 684 P CA 0.280 63.283 63.100 -0.161 0.000 0.757 684 P CB -0.487 31.140 31.700 -0.122 0.000 1.149 685 T N -1.751 112.639 114.554 -0.272 0.000 2.767 685 T HA 0.611 4.961 4.350 -0.000 0.000 0.284 685 T C 0.389 174.910 174.700 -0.297 0.000 0.973 685 T CA -0.877 61.052 62.100 -0.285 0.000 0.996 685 T CB 1.652 70.339 68.868 -0.301 0.000 0.927 685 T HN 0.114 nan 8.240 nan 0.000 0.456 686 A N 3.701 126.335 122.820 -0.310 0.000 2.492 686 A HA 0.493 4.813 4.320 -0.000 0.000 0.254 686 A C 0.974 178.470 177.584 -0.146 0.000 1.091 686 A CA -0.461 51.391 52.037 -0.309 0.000 0.768 686 A CB -0.111 18.625 19.000 -0.440 0.000 1.028 686 A HN 0.928 nan 8.150 nan 0.000 0.498 687 R N 1.310 121.816 120.500 0.010 0.000 2.483 687 R HA 0.170 4.510 4.340 -0.000 0.000 0.170 687 R C -1.158 175.321 176.300 0.298 0.000 0.555 687 R CA -0.010 56.153 56.100 0.105 0.000 0.781 687 R CB -0.301 30.095 30.300 0.159 0.000 1.238 687 R HN 0.713 nan 8.270 nan 0.000 0.549 688 I N 0.627 121.399 120.570 0.338 0.000 2.827 688 I HA 0.391 4.561 4.170 -0.000 0.000 0.298 688 I C -0.540 175.819 176.117 0.403 0.000 1.235 688 I CA -0.875 60.653 61.300 0.381 0.000 1.021 688 I CB 1.931 40.127 38.000 0.326 0.000 1.259 688 I HN -0.030 nan 8.210 nan 0.000 0.427 689 R N 4.345 125.042 120.500 0.329 0.000 2.801 689 R HA 0.203 4.543 4.340 -0.000 0.000 0.273 689 R C 0.387 176.830 176.300 0.238 0.000 1.080 689 R CA -0.264 55.977 56.100 0.235 0.000 1.197 689 R CB 0.303 30.696 30.300 0.155 0.000 1.109 689 R HN 0.535 nan 8.270 nan 0.000 0.535 690 K N 0.671 121.164 120.400 0.155 0.000 2.418 690 K HA -0.042 4.278 4.320 -0.000 0.000 0.195 690 K C 0.580 177.376 176.600 0.326 0.000 1.035 690 K CA 0.558 56.962 56.287 0.195 0.000 1.003 690 K CB 0.259 32.789 32.500 0.050 0.000 0.793 690 K HN 0.478 nan 8.250 nan 0.000 0.494 691 D N 0.303 120.852 120.400 0.249 0.000 2.269 691 D HA -0.046 4.594 4.640 -0.000 0.000 0.208 691 D C 0.680 177.206 176.300 0.377 0.000 0.963 691 D CA 0.688 54.830 54.000 0.236 0.000 0.864 691 D CB 0.174 41.077 40.800 0.171 0.000 0.936 691 D HN 0.135 nan 8.370 nan 0.000 0.505 692 C N -0.514 119.022 119.300 0.394 0.000 2.973 692 C HA 0.753 5.213 4.460 -0.000 0.000 0.329 692 C C -0.018 175.119 174.990 0.246 0.000 1.327 692 C CA -0.779 58.447 59.018 0.347 0.000 1.632 692 C CB 2.674 30.558 27.740 0.242 0.000 2.098 692 C HN -0.087 nan 8.230 nan 0.000 0.469 693 V N 0.290 120.333 119.914 0.215 0.000 3.048 693 V HA 0.595 4.715 4.120 -0.000 0.000 0.303 693 V C -1.919 174.290 176.094 0.192 0.000 1.214 693 V CA -0.448 61.934 62.300 0.137 0.000 0.984 693 V CB 2.248 34.100 31.823 0.048 0.000 1.054 693 V HN 0.840 nan 8.190 nan 0.000 0.430 694 Y N 5.740 126.052 120.300 0.021 0.000 2.457 694 Y HA 0.845 5.395 4.550 -0.000 0.000 0.343 694 Y C -0.780 175.055 175.900 -0.108 0.000 0.994 694 Y CA -0.813 57.214 58.100 -0.121 0.000 1.031 694 Y CB 1.830 40.068 38.460 -0.370 0.000 1.246 694 Y HN 0.669 nan 8.280 nan 0.000 0.449 695 I N 3.038 123.153 120.570 -0.758 0.000 2.802 695 I HA 0.664 4.833 4.170 -0.000 0.000 0.298 695 I C -1.609 174.107 176.117 -0.668 0.000 1.176 695 I CA -1.352 59.643 61.300 -0.508 0.000 1.025 695 I CB 2.009 39.917 38.000 -0.155 0.000 1.243 695 I HN 0.355 nan 8.210 nan 0.000 0.424 696 V N 3.612 123.323 119.914 -0.340 0.000 2.555 696 V HA 0.079 4.199 4.120 -0.000 0.000 0.286 696 V C 0.200 176.347 176.094 0.088 0.000 1.044 696 V CA 0.109 62.349 62.300 -0.099 0.000 1.026 696 V CB 0.466 32.356 31.823 0.112 0.000 0.981 696 V HN 0.833 nan 8.190 nan 0.000 0.480 697 H N 3.382 122.491 119.070 0.065 0.000 2.815 697 H HA 0.467 5.023 4.556 -0.000 0.000 0.350 697 H C 0.953 176.355 175.328 0.124 0.000 1.080 697 H CA 0.642 56.742 56.048 0.087 0.000 1.433 697 H CB 0.865 30.668 29.762 0.068 0.000 1.432 697 H HN 0.883 nan 8.280 nan 0.000 0.592 698 G N 2.556 110.895 108.800 -0.769 0.000 2.184 698 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.206 698 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.206 698 G C -0.285 174.330 174.900 -0.475 0.000 0.995 698 G CA 0.028 44.706 45.100 -0.704 0.000 0.651 698 G HN 0.490 nan 8.290 nan 0.000 0.511 699 F N -0.310 119.546 119.950 -0.157 0.000 2.544 699 F HA 0.615 5.142 4.527 -0.000 0.000 0.378 699 F C 1.639 177.442 175.800 0.005 0.000 1.112 699 F CA 0.376 58.346 58.000 -0.049 0.000 1.115 699 F CB 1.156 40.129 39.000 -0.044 0.000 1.436 699 F HN 0.787 nan 8.300 nan 0.000 0.496 700 G N 0.443 109.400 108.800 0.262 0.000 2.160 700 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 700 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 700 G C -0.206 174.740 174.900 0.076 0.000 1.022 700 G CA -0.470 44.692 45.100 0.104 0.000 0.741 700 G HN 0.694 nan 8.290 nan 0.000 0.508 701 H N 0.728 119.874 119.070 0.127 0.000 2.848 701 H HA 0.199 4.755 4.556 -0.000 0.000 0.341 701 H C 0.433 175.828 175.328 0.113 0.000 1.060 701 H CA 0.625 56.783 56.048 0.183 0.000 1.444 701 H CB 0.718 30.551 29.762 0.119 0.000 1.446 701 H HN 0.266 nan 8.280 nan 0.000 0.583 702 K N 1.797 122.373 120.400 0.294 0.000 2.499 702 K HA 0.533 4.853 4.320 -0.000 0.000 0.215 702 K C -0.781 176.079 176.600 0.433 0.000 1.041 702 K CA -0.702 55.780 56.287 0.325 0.000 1.031 702 K CB 1.195 33.799 32.500 0.174 0.000 1.479 702 K HN 0.533 nan 8.250 nan 0.000 0.518 703 A N 3.373 126.514 122.820 0.536 0.000 3.005 703 A HA 0.402 4.722 4.320 -0.000 0.000 0.308 703 A C -2.289 175.330 177.584 0.058 0.000 1.173 703 A CA -1.026 51.173 52.037 0.271 0.000 0.796 703 A CB 0.878 20.044 19.000 0.277 0.000 1.325 703 A HN 0.161 nan 8.150 nan 0.000 0.467 704 P HA -0.182 nan 4.420 nan 0.000 0.218 704 P C 1.296 178.489 177.300 -0.180 0.000 1.146 704 P CA 1.013 63.803 63.100 -0.517 0.000 0.813 704 P CB 0.169 31.618 31.700 -0.419 0.000 0.778 705 L N -2.669 118.502 121.223 -0.086 0.000 2.313 705 L HA 0.039 4.379 4.340 -0.000 0.000 0.214 705 L C 1.422 178.271 176.870 -0.034 0.000 1.119 705 L CA 0.541 55.348 54.840 -0.054 0.000 0.809 705 L CB -0.547 41.481 42.059 -0.051 0.000 0.933 705 L HN -0.003 nan 8.230 nan 0.000 0.449 706 M N 0.109 119.698 119.600 -0.019 0.000 2.497 706 M HA 0.123 4.603 4.480 -0.000 0.000 0.336 706 M C 0.995 177.303 176.300 0.013 0.000 1.378 706 M CA 0.067 55.353 55.300 -0.024 0.000 1.375 706 M CB 0.706 33.262 32.600 -0.074 0.000 1.337 706 M HN 0.071 nan 8.290 nan 0.000 0.461 707 R N 1.574 122.086 120.500 0.020 0.000 2.127 707 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 707 R C 1.338 177.682 176.300 0.072 0.000 1.134 707 R CA 1.272 57.400 56.100 0.046 0.000 0.975 707 R CB -0.306 30.012 30.300 0.030 0.000 0.865 707 R HN 0.648 nan 8.270 nan 0.000 0.447 708 L N -2.968 118.291 121.223 0.059 0.000 2.607 708 L HA 0.425 4.765 4.340 -0.000 0.000 0.228 708 L C 1.703 178.602 176.870 0.048 0.000 1.123 708 L CA 0.060 54.944 54.840 0.072 0.000 0.890 708 L CB 0.264 42.382 42.059 0.099 0.000 1.103 708 L HN -0.075 nan 8.230 nan 0.000 0.468 709 A N -1.046 121.769 122.820 -0.008 0.000 2.167 709 A HA 0.056 4.376 4.320 -0.000 0.000 0.208 709 A C 0.652 178.245 177.584 0.015 0.000 1.198 709 A CA -0.086 51.890 52.037 -0.101 0.000 0.863 709 A CB -0.373 18.349 19.000 -0.463 0.000 0.904 709 A HN 0.463 nan 8.150 nan 0.000 0.484 710 H N 0.138 119.208 119.070 -0.001 0.000 3.091 710 H HA 0.376 4.932 4.556 -0.000 0.000 0.289 710 H C 1.339 176.712 175.328 0.075 0.000 0.995 710 H CA 0.951 57.036 56.048 0.062 0.000 1.461 710 H CB 0.014 29.805 29.762 0.048 0.000 1.510 710 H HN 0.567 nan 8.280 nan 0.000 0.546 711 G N 4.498 112.992 108.800 -0.510 0.000 2.141 711 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.242 711 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.242 711 G C -0.050 174.797 174.900 -0.089 0.000 0.982 711 G CA 0.094 44.977 45.100 -0.361 0.000 0.662 711 G HN 0.735 nan 8.290 nan 0.000 0.527 712 R N 0.056 120.573 120.500 0.029 0.000 2.338 712 R HA 0.609 4.949 4.340 -0.000 0.000 0.317 712 R C 0.888 177.304 176.300 0.193 0.000 0.968 712 R CA -0.089 56.083 56.100 0.120 0.000 0.849 712 R CB 1.562 31.972 30.300 0.183 0.000 1.128 712 R HN 1.437 nan 8.270 nan 0.000 0.448 713 G N 1.568 110.423 108.800 0.091 0.000 2.750 713 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.228 713 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.228 713 G C -0.898 174.043 174.900 0.068 0.000 1.367 713 G CA -0.377 44.741 45.100 0.030 0.000 0.871 713 G HN 0.832 nan 8.290 nan 0.000 0.560 714 A N -0.672 122.178 122.820 0.050 0.000 2.337 714 A HA 0.857 5.177 4.320 -0.000 0.000 0.329 714 A C 0.469 178.105 177.584 0.087 0.000 1.146 714 A CA 0.905 52.972 52.037 0.049 0.000 0.800 714 A CB 1.649 20.669 19.000 0.032 0.000 1.220 714 A HN 2.275 nan 8.150 nan 0.000 0.472 715 S N 0.938 116.679 115.700 0.069 0.000 2.452 715 S HA 0.217 4.687 4.470 -0.000 0.000 0.284 715 S C 0.949 175.613 174.600 0.107 0.000 1.171 715 S CA -0.049 58.218 58.200 0.111 0.000 1.064 715 S CB 0.443 63.703 63.200 0.100 0.000 0.967 715 S HN 0.741 nan 8.310 nan 0.000 0.484 716 D N 4.525 124.987 120.400 0.104 0.000 2.117 716 D HA -0.215 4.425 4.640 -0.000 0.000 0.198 716 D C 1.407 177.694 176.300 -0.020 0.000 0.982 716 D CA 1.003 55.022 54.000 0.031 0.000 0.828 716 D CB -0.713 40.075 40.800 -0.021 0.000 0.967 716 D HN 0.705 nan 8.370 nan 0.000 0.464 717 N N -0.440 118.259 118.700 -0.001 0.000 2.166 717 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 717 N C 1.536 176.971 175.510 -0.125 0.000 1.019 717 N CA 0.694 53.682 53.050 -0.103 0.000 0.856 717 N CB -0.172 38.252 38.487 -0.105 0.000 0.993 717 N HN 0.168 nan 8.380 nan 0.000 0.426 718 Y N 0.664 120.879 120.300 -0.143 0.000 2.574 718 Y HA 0.032 4.582 4.550 -0.000 0.000 0.294 718 Y C 1.811 177.666 175.900 -0.074 0.000 1.142 718 Y CA 0.632 58.656 58.100 -0.127 0.000 1.314 718 Y CB 0.184 38.569 38.460 -0.125 0.000 0.991 718 Y HN 0.100 nan 8.280 nan 0.000 0.555 719 L N -1.007 120.258 121.223 0.070 0.000 2.554 719 L HA 0.043 4.383 4.340 -0.000 0.000 0.225 719 L C 0.377 177.248 176.870 0.002 0.000 1.104 719 L CA 0.282 55.153 54.840 0.051 0.000 0.866 719 L CB 0.103 42.201 42.059 0.065 0.000 1.047 719 L HN -0.046 nan 8.230 nan 0.000 0.468 720 Q N -0.306 119.465 119.800 -0.050 0.000 2.844 720 Q HA 0.069 4.409 4.340 -0.000 0.000 0.235 720 Q C 1.009 176.974 176.000 -0.058 0.000 1.336 720 Q CA -0.111 55.648 55.803 -0.072 0.000 1.026 720 Q CB 0.765 29.424 28.738 -0.133 0.000 1.513 720 Q HN 0.049 nan 8.270 nan 0.000 0.577 721 T N 0.776 115.309 114.554 -0.037 0.000 2.896 721 T HA 0.027 4.377 4.350 -0.000 0.000 0.263 721 T C 0.479 175.171 174.700 -0.013 0.000 1.050 721 T CA 1.075 63.156 62.100 -0.031 0.000 1.140 721 T CB 0.313 69.169 68.868 -0.021 0.000 0.877 721 T HN 0.348 nan 8.240 nan 0.000 0.457 722 R N 0.019 120.505 120.500 -0.024 0.000 2.856 722 R HA 0.623 4.963 4.340 -0.000 0.000 0.258 722 R C -1.434 174.881 176.300 0.025 0.000 1.066 722 R CA -0.948 55.113 56.100 -0.066 0.000 1.045 722 R CB 1.355 31.590 30.300 -0.109 0.000 1.178 722 R HN 0.337 nan 8.270 nan 0.000 0.499 723 Y N -2.299 117.954 120.300 -0.079 0.000 2.558 723 Y HA 0.437 4.987 4.550 -0.000 0.000 0.333 723 Y C -1.421 174.448 175.900 -0.052 0.000 1.125 723 Y CA -1.367 56.687 58.100 -0.078 0.000 1.039 723 Y CB 1.376 39.782 38.460 -0.091 0.000 1.331 723 Y HN 0.372 nan 8.280 nan 0.000 0.456 724 K N 3.847 124.309 120.400 0.104 0.000 2.264 724 K HA 0.414 4.734 4.320 -0.000 0.000 0.277 724 K C -0.878 175.801 176.600 0.131 0.000 1.067 724 K CA -0.575 55.743 56.287 0.052 0.000 0.900 724 K CB 0.659 33.195 32.500 0.059 0.000 1.124 724 K HN 0.910 nan 8.250 nan 0.000 0.469 725 L N 3.908 125.208 121.223 0.128 0.000 2.559 725 L HA -0.016 4.324 4.340 -0.000 0.000 0.274 725 L C 0.055 176.949 176.870 0.039 0.000 1.205 725 L CA 0.206 55.127 54.840 0.136 0.000 0.907 725 L CB 0.319 42.466 42.059 0.147 0.000 1.153 725 L HN 0.756 nan 8.230 nan 0.000 0.490 726 D N 7.511 127.885 120.400 -0.043 0.000 2.343 726 D HA 0.090 4.730 4.640 -0.000 0.000 0.255 726 D C -1.535 174.737 176.300 -0.046 0.000 1.187 726 D CA -1.892 52.055 54.000 -0.088 0.000 0.875 726 D CB 1.354 42.044 40.800 -0.184 0.000 1.136 726 D HN 0.287 nan 8.370 nan 0.000 0.469 727 P HA -0.002 nan 4.420 nan 0.000 0.237 727 P C 1.275 178.685 177.300 0.183 0.000 1.178 727 P CA 0.539 63.715 63.100 0.127 0.000 0.766 727 P CB 0.569 32.332 31.700 0.105 0.000 0.876 728 I N -0.480 120.111 120.570 0.036 0.000 2.947 728 I HA 0.005 4.175 4.170 -0.000 0.000 0.263 728 I C 1.137 177.280 176.117 0.043 0.000 1.130 728 I CA 0.923 62.248 61.300 0.042 0.000 1.448 728 I CB 0.007 37.847 38.000 -0.267 0.000 1.222 728 I HN -0.024 nan 8.210 nan 0.000 0.453 729 S N 0.611 116.210 115.700 -0.168 0.000 2.257 729 S HA 0.326 4.796 4.470 -0.000 0.000 0.191 729 S C 1.234 175.533 174.600 -0.503 0.000 1.386 729 S CA 0.033 58.071 58.200 -0.270 0.000 1.233 729 S CB 0.221 63.227 63.200 -0.323 0.000 1.138 729 S HN 0.564 nan 8.310 nan 0.000 0.483 730 G N 1.688 109.838 108.800 -1.084 0.000 2.376 730 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.298 730 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.298 730 G C 0.777 175.220 174.900 -0.762 0.000 1.062 730 G CA 0.521 44.575 45.100 -1.742 0.000 0.682 730 G HN 1.284 nan 8.290 nan 0.000 0.567 731 G N -0.351 108.162 108.800 -0.478 0.000 2.380 731 G HA2 0.568 4.528 3.960 -0.000 0.000 0.242 731 G HA3 0.568 4.528 3.960 -0.000 0.000 0.242 731 G C 0.273 175.028 174.900 -0.242 0.000 1.298 731 G CA 0.489 45.388 45.100 -0.336 0.000 0.878 731 G HN 1.292 nan 8.290 nan 0.000 0.542 732 A N 2.424 125.084 122.820 -0.266 0.000 2.478 732 A HA 0.641 4.961 4.320 -0.000 0.000 0.327 732 A C 1.018 178.548 177.584 -0.091 0.000 1.431 732 A CA 0.057 51.964 52.037 -0.217 0.000 1.014 732 A CB 0.096 18.660 19.000 -0.727 0.000 1.143 732 A HN 1.340 nan 8.150 nan 0.000 0.532 733 G N 1.770 110.584 108.800 0.023 0.000 2.195 733 G HA2 0.266 4.226 3.960 -0.000 0.000 0.264 733 G HA3 0.266 4.226 3.960 -0.000 0.000 0.264 733 G C 0.669 175.590 174.900 0.035 0.000 1.148 733 G CA -0.231 44.883 45.100 0.024 0.000 1.023 733 G HN 0.753 nan 8.290 nan 0.000 0.429 734 L N 2.444 123.678 121.223 0.020 0.000 2.307 734 L HA 0.094 4.434 4.340 -0.000 0.000 0.211 734 L C 2.396 179.269 176.870 0.005 0.000 1.099 734 L CA 0.368 55.221 54.840 0.021 0.000 0.816 734 L CB -0.045 42.029 42.059 0.025 0.000 0.952 734 L HN 0.469 nan 8.230 nan 0.000 0.455 735 R N -0.123 120.323 120.500 -0.090 0.000 2.849 735 R HA 0.044 4.384 4.340 -0.000 0.000 0.238 735 R C 0.947 177.177 176.300 -0.116 0.000 1.403 735 R CA -0.012 55.975 56.100 -0.189 0.000 1.303 735 R CB 0.057 29.980 30.300 -0.629 0.000 1.191 735 R HN 0.131 nan 8.270 nan 0.000 0.533 736 V N 0.353 120.182 119.914 -0.141 0.000 3.578 736 V HA 0.054 4.174 4.120 -0.000 0.000 0.290 736 V C 0.078 175.784 176.094 -0.646 0.000 1.376 736 V CA 0.177 62.342 62.300 -0.225 0.000 1.083 736 V CB -0.005 31.786 31.823 -0.053 0.000 0.911 736 V HN 0.341 nan 8.190 nan 0.000 0.433 737 N N 0.335 118.741 118.700 -0.490 0.000 2.473 737 N HA 0.456 5.196 4.740 -0.000 0.000 0.291 737 N C -1.152 174.053 175.510 -0.508 0.000 1.083 737 N CA -0.040 52.725 53.050 -0.475 0.000 0.951 737 N CB 1.537 39.929 38.487 -0.158 0.000 1.164 737 N HN 0.155 nan 8.380 nan 0.000 0.480 738 F N 0.214 120.226 119.950 0.104 0.000 2.522 738 F HA 0.566 5.093 4.527 -0.000 0.000 0.324 738 F C 0.319 176.315 175.800 0.327 0.000 1.077 738 F CA -1.028 57.080 58.000 0.179 0.000 0.944 738 F CB 1.872 40.894 39.000 0.037 0.000 1.175 738 F HN -0.028 nan 8.300 nan 0.000 0.468 739 V N 3.044 123.335 119.914 0.629 0.000 2.925 739 V HA 0.657 4.777 4.120 -0.000 0.000 0.311 739 V C -1.168 175.158 176.094 0.388 0.000 1.104 739 V CA -0.682 61.913 62.300 0.492 0.000 0.954 739 V CB 2.473 34.472 31.823 0.293 0.000 1.022 739 V HN 0.875 nan 8.190 nan 0.000 0.427 740 R N 5.390 125.929 120.500 0.065 0.000 2.854 740 R HA 0.784 5.124 4.340 -0.000 0.000 0.271 740 R C -1.828 174.460 176.300 -0.021 0.000 0.994 740 R CA -0.917 55.093 56.100 -0.151 0.000 0.945 740 R CB 1.841 31.663 30.300 -0.798 0.000 1.194 740 R HN 0.579 nan 8.270 nan 0.000 0.476 741 L N 0.661 121.895 121.223 0.020 0.000 2.307 741 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 741 L C -0.287 176.582 176.870 -0.002 0.000 1.023 741 L CA -0.789 54.061 54.840 0.017 0.000 0.810 741 L CB 1.493 43.563 42.059 0.017 0.000 1.231 741 L HN 0.777 nan 8.230 nan 0.000 0.423 742 E N 2.945 123.147 120.200 0.003 0.000 2.191 742 E HA 0.206 4.556 4.350 -0.000 0.000 0.263 742 E C -0.813 175.798 176.600 0.018 0.000 0.881 742 E CA -0.931 55.471 56.400 0.005 0.000 0.757 742 E CB 1.576 31.278 29.700 0.004 0.000 1.147 742 E HN 0.324 nan 8.360 nan 0.000 0.414 743 K N 2.142 122.553 120.400 0.018 0.000 2.511 743 K HA 0.132 4.452 4.320 -0.000 0.000 0.280 743 K C -0.866 175.757 176.600 0.037 0.000 1.008 743 K CA 0.425 56.728 56.287 0.028 0.000 1.050 743 K CB 0.764 33.277 32.500 0.023 0.000 0.889 743 K HN 0.586 nan 8.250 nan 0.000 0.484 744 A N 3.805 126.660 122.820 0.059 0.000 2.532 744 A HA 0.521 4.841 4.320 -0.000 0.000 0.290 744 A C -0.803 176.821 177.584 0.067 0.000 1.143 744 A CA -0.719 51.353 52.037 0.059 0.000 0.728 744 A CB 0.872 19.916 19.000 0.073 0.000 1.317 744 A HN 0.613 nan 8.150 nan 0.000 0.414 745 E N 0.855 121.071 120.200 0.027 0.000 2.349 745 E HA 0.229 4.579 4.350 -0.000 0.000 0.265 745 E C 0.180 176.730 176.600 -0.084 0.000 1.064 745 E CA -0.473 55.922 56.400 -0.009 0.000 0.886 745 E CB 0.976 30.656 29.700 -0.033 0.000 1.036 745 E HN 0.653 nan 8.360 nan 0.000 0.413 746 R N 2.809 123.220 120.500 -0.148 0.000 2.640 746 R HA 0.080 4.420 4.340 -0.000 0.000 0.270 746 R C -2.093 173.958 176.300 -0.414 0.000 1.024 746 R CA -0.721 55.092 56.100 -0.478 0.000 1.085 746 R CB 0.041 30.169 30.300 -0.287 0.000 0.963 746 R HN 0.177 nan 8.270 nan 0.000 0.426 747 P HA 0.201 nan 4.420 nan 0.000 0.281 747 P C -1.253 175.931 177.300 -0.193 0.000 1.249 747 P CA -0.479 62.449 63.100 -0.286 0.000 0.810 747 P CB 0.967 32.514 31.700 -0.255 0.000 1.008 748 R N 1.855 122.287 120.500 -0.113 0.000 2.246 748 R HA 0.605 4.945 4.340 -0.000 0.000 0.332 748 R C -0.275 175.997 176.300 -0.046 0.000 0.974 748 R CA -0.470 55.587 56.100 -0.072 0.000 0.837 748 R CB 0.680 30.949 30.300 -0.052 0.000 1.145 748 R HN 0.464 nan 8.270 nan 0.000 0.467 749 L N 2.708 123.910 121.223 -0.035 0.000 2.309 749 L HA 0.651 4.991 4.340 -0.000 0.000 0.261 749 L C -1.915 174.959 176.870 0.006 0.000 1.021 749 L CA -2.224 52.611 54.840 -0.008 0.000 0.823 749 L CB 1.572 43.626 42.059 -0.008 0.000 1.366 749 L HN 0.412 nan 8.230 nan 0.000 0.423 750 P HA 0.147 nan 4.420 nan 0.000 0.273 750 P C -0.865 176.447 177.300 0.021 0.000 1.250 750 P CA -0.550 62.563 63.100 0.022 0.000 0.793 750 P CB 0.585 32.304 31.700 0.033 0.000 1.011 751 S N 0.142 115.851 115.700 0.014 0.000 2.505 751 S HA 0.127 4.597 4.470 -0.000 0.000 0.276 751 S C 1.201 175.812 174.600 0.019 0.000 1.274 751 S CA -0.570 57.638 58.200 0.013 0.000 1.053 751 S CB -0.442 62.760 63.200 0.002 0.000 0.919 751 S HN 0.408 nan 8.310 nan 0.000 0.490 752 L N 4.279 125.521 121.223 0.033 0.000 2.093 752 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 752 L C 2.593 179.471 176.870 0.013 0.000 1.085 752 L CA 1.372 56.240 54.840 0.047 0.000 0.755 752 L CB -0.700 41.409 42.059 0.082 0.000 0.904 752 L HN 0.717 nan 8.230 nan 0.000 0.435 753 T N -0.754 113.794 114.554 -0.009 0.000 2.777 753 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 753 T C 1.757 176.401 174.700 -0.094 0.000 1.040 753 T CA 1.191 63.251 62.100 -0.065 0.000 1.141 753 T CB -0.486 68.353 68.868 -0.047 0.000 0.868 753 T HN 0.556 nan 8.240 nan 0.000 0.444 754 G N 1.646 110.414 108.800 -0.053 0.000 2.514 754 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 754 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 754 G C 1.486 176.352 174.900 -0.057 0.000 1.198 754 G CA 0.721 45.791 45.100 -0.050 0.000 0.780 754 G HN 0.435 nan 8.290 nan 0.000 0.565 755 L N 0.803 122.006 121.223 -0.033 0.000 2.012 755 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 755 L C 3.437 180.270 176.870 -0.061 0.000 1.073 755 L CA 1.169 55.998 54.840 -0.017 0.000 0.748 755 L CB -0.511 41.562 42.059 0.023 0.000 0.891 755 L HN 0.308 nan 8.230 nan 0.000 0.431 756 A N -0.203 122.544 122.820 -0.120 0.000 2.024 756 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 756 A C 2.206 179.455 177.584 -0.559 0.000 1.164 756 A CA 1.663 53.478 52.037 -0.370 0.000 0.643 756 A CB -0.399 18.321 19.000 -0.467 0.000 0.806 756 A HN 0.370 nan 8.150 nan 0.000 0.451 757 K N -0.610 119.594 120.400 -0.327 0.000 2.459 757 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 757 K C 0.119 176.643 176.600 -0.127 0.000 1.030 757 K CA -0.160 55.973 56.287 -0.258 0.000 1.026 757 K CB 0.095 32.489 32.500 -0.176 0.000 0.809 757 K HN 0.366 nan 8.250 nan 0.000 0.504 758 R N 2.070 122.526 120.500 -0.074 0.000 2.502 758 R HA 0.005 4.345 4.340 -0.000 0.000 0.292 758 R C -2.398 173.931 176.300 0.049 0.000 0.998 758 R CA -1.001 55.099 56.100 0.000 0.000 1.056 758 R CB -0.222 30.098 30.300 0.032 0.000 0.939 758 R HN -0.023 nan 8.270 nan 0.000 0.411 759 P HA -0.041 nan 4.420 nan 0.000 0.271 759 P C -1.020 176.397 177.300 0.194 0.000 1.218 759 P CA -0.228 62.936 63.100 0.107 0.000 0.780 759 P CB 0.426 32.162 31.700 0.060 0.000 0.901 760 F N 2.424 122.433 119.950 0.099 0.000 2.411 760 F HA 0.329 4.856 4.527 -0.000 0.000 0.355 760 F C -0.175 175.696 175.800 0.118 0.000 1.117 760 F CA -0.591 57.493 58.000 0.140 0.000 1.139 760 F CB 0.490 39.607 39.000 0.196 0.000 1.120 760 F HN 0.155 nan 8.300 nan 0.000 0.493 761 D N 4.729 124.832 120.400 -0.495 0.000 2.440 761 D HA 0.184 4.824 4.640 -0.000 0.000 0.239 761 D C 0.007 175.979 176.300 -0.547 0.000 1.084 761 D CA -0.365 53.397 54.000 -0.398 0.000 0.843 761 D CB 1.001 41.709 40.800 -0.154 0.000 1.097 761 D HN 0.689 nan 8.370 nan 0.000 0.531 762 E N 3.296 123.179 120.200 -0.529 0.000 2.438 762 E HA 0.082 4.432 4.350 -0.000 0.000 0.192 762 E C 0.663 177.116 176.600 -0.245 0.000 1.110 762 E CA -0.254 55.827 56.400 -0.532 0.000 0.893 762 E CB -0.069 29.383 29.700 -0.414 0.000 0.990 762 E HN 0.390 nan 8.360 nan 0.000 0.490 763 R N -0.532 119.921 120.500 -0.078 0.000 3.853 763 R HA -0.310 4.030 4.340 -0.000 0.000 0.440 763 R C 0.630 176.909 176.300 -0.035 0.000 0.241 763 R CA 2.256 58.352 56.100 -0.006 0.000 1.395 763 R CB -1.204 29.159 30.300 0.105 0.000 0.984 763 R HN 0.455 nan 8.270 nan 0.000 0.570 764 R N 0.000 120.493 120.500 -0.011 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