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 3hn3_1_D DATA FIRST_RESID 23 DATA SEQUENCE LQGGMLYPQE SPSRECKELD GLWSFRADFS DNRRRGFEEQ WYRRPLWESG DATA SEQUENCE PTVDMPVPSS FNDISQDWRL RHFVGWVWYE REVILPERWT QDLRTRVVLR DATA SEQUENCE IGSAHSYAIV WVNGVDTLEH EGGYLPFEAD ISNLVQVXXX XSRLRITIAI DATA SEQUENCE NNTLTPTTLP PGTIQYLTDT SKYPKGYFVQ NTYFDFFNYA GLQRSVLLYT DATA SEQUENCE TPTTYIDDIT VTTSVEQDSG LVNYQISVKG SNLFKLEVRL LDAENKVVAN DATA SEQUENCE GTGTQGQLKV PGVSLWWPYL MHERPAYLYS LEVQLTAQTS LGPVSDFYTL DATA SEQUENCE PVGIRTVAVT KSQFLINGKP FYFHGVNKHE DADIRGKGFD WPLLVKDFNL DATA SEQUENCE LRWLGANAFR TSHYPYAEEV MQMCDRYGIV VIDECPGVGL ALPQFFNNVS DATA SEQUENCE LHHHMQVMEE VVRRDKNHPA VVMWSVANEP ASHLESAGYY LKMVIAHTKS DATA SEQUENCE LDPSRPVTFV SNSNYAADKG APYVDVICLN SYYSWYHDYG HLELIQLQLA DATA SEQUENCE TQFENWYKKY QKPIIQSEYG AETIAGFHQD PPLMFTEEYQ KSLLEQYHLG DATA SEQUENCE LDQKRRKYVV GELIWNFADF MTEQSPTRVL GNKKGIFTRQ RQPKSAAFLL DATA SEQUENCE RERYWKIANE T 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.872 176.870 0.003 0.000 1.165 23 L CA 0.000 54.840 54.840 0.000 0.000 0.813 23 L CB 0.000 42.060 42.059 0.002 0.000 0.961 24 Q N 0.604 120.411 119.800 0.011 0.000 2.293 24 Q HA 0.611 4.951 4.340 0.000 0.000 0.261 24 Q C 0.018 176.029 176.000 0.019 0.000 0.960 24 Q CA -0.242 55.568 55.803 0.012 0.000 0.882 24 Q CB 1.653 30.399 28.738 0.014 0.000 1.275 24 Q HN 0.957 nan 8.270 nan 0.000 0.445 25 G N 1.437 110.244 108.800 0.011 0.000 2.855 25 G HA2 -0.143 3.818 3.960 0.000 0.000 0.352 25 G HA3 -0.143 3.818 3.960 0.000 0.000 0.352 25 G C -0.018 174.891 174.900 0.014 0.000 1.415 25 G CA -0.656 44.454 45.100 0.016 0.000 0.871 25 G HN 0.836 nan 8.290 nan 0.000 0.543 26 G N -1.970 106.839 108.800 0.015 0.000 2.535 26 G HA2 0.715 4.675 3.960 0.000 0.000 0.303 26 G HA3 0.715 4.675 3.960 0.000 0.000 0.303 26 G C 0.051 174.962 174.900 0.018 0.000 1.237 26 G CA 0.178 45.278 45.100 -0.000 0.000 0.986 26 G HN 1.537 nan 8.290 nan 0.000 0.494 27 M N 0.551 120.152 119.600 0.002 0.000 4.012 27 M HA 0.376 4.856 4.480 0.000 0.000 0.458 27 M C -1.000 175.305 176.300 0.008 0.000 2.038 27 M CA -0.245 55.068 55.300 0.022 0.000 0.479 27 M CB 0.223 32.849 32.600 0.043 0.000 1.517 27 M HN 0.265 nan 8.290 nan 0.000 0.525 28 L N 1.722 122.914 121.223 -0.052 0.000 2.380 28 L HA 0.274 4.614 4.340 0.000 0.000 0.273 28 L C -0.220 176.671 176.870 0.036 0.000 1.138 28 L CA -0.656 54.136 54.840 -0.081 0.000 0.832 28 L CB 0.431 42.243 42.059 -0.410 0.000 1.124 28 L HN 0.403 nan 8.230 nan 0.000 0.454 29 Y N 5.460 125.786 120.300 0.043 0.000 2.544 29 Y HA 0.119 4.669 4.550 0.000 0.000 0.330 29 Y C -1.949 173.958 175.900 0.013 0.000 1.136 29 Y CA -2.144 55.971 58.100 0.025 0.000 1.417 29 Y CB 0.260 38.759 38.460 0.066 0.000 1.229 29 Y HN 0.344 nan 8.280 nan 0.000 0.532 30 P HA 0.119 nan 4.420 nan 0.000 0.271 30 P C -1.556 175.467 177.300 -0.462 0.000 1.216 30 P CA -0.082 62.616 63.100 -0.669 0.000 0.776 30 P CB 0.592 31.737 31.700 -0.924 0.000 0.881 31 Q N -0.207 119.433 119.800 -0.268 0.000 2.462 31 Q HA 0.564 4.904 4.340 0.000 0.000 0.285 31 Q C -1.177 174.749 176.000 -0.122 0.000 1.035 31 Q CA -1.092 54.599 55.803 -0.186 0.000 0.799 31 Q CB 1.385 29.979 28.738 -0.241 0.000 1.452 31 Q HN 0.149 nan 8.270 nan 0.000 0.404 32 E N 0.992 121.145 120.200 -0.078 0.000 2.366 32 E HA 0.505 4.855 4.350 0.000 0.000 0.266 32 E C -0.740 175.828 176.600 -0.052 0.000 1.051 32 E CA 0.218 56.597 56.400 -0.035 0.000 0.884 32 E CB 1.380 31.071 29.700 -0.015 0.000 1.006 32 E HN 0.668 nan 8.360 nan 0.000 0.417 33 S N 0.795 116.484 115.700 -0.019 0.000 2.643 33 S HA 0.427 4.897 4.470 0.000 0.000 0.270 33 S C -2.309 172.274 174.600 -0.028 0.000 1.166 33 S CA -1.250 56.931 58.200 -0.032 0.000 0.815 33 S CB 1.005 64.224 63.200 0.031 0.000 1.139 33 S HN 0.164 nan 8.310 nan 0.000 0.472 34 P HA -0.070 nan 4.420 nan 0.000 0.218 34 P C 1.101 178.434 177.300 0.055 0.000 1.146 34 P CA 1.837 64.866 63.100 -0.119 0.000 0.820 34 P CB -0.081 31.353 31.700 -0.443 0.000 0.778 35 S N -3.233 112.567 115.700 0.167 0.000 2.559 35 S HA 0.252 4.722 4.470 0.000 0.000 0.226 35 S C 0.623 175.287 174.600 0.106 0.000 1.000 35 S CA -0.481 57.825 58.200 0.177 0.000 0.948 35 S CB 0.126 63.484 63.200 0.264 0.000 0.870 35 S HN -0.003 nan 8.310 nan 0.000 0.497 36 R N 0.825 121.378 120.500 0.088 0.000 2.621 36 R HA 0.539 4.879 4.340 0.000 0.000 0.284 36 R C -1.302 175.036 176.300 0.063 0.000 0.998 36 R CA -0.428 55.712 56.100 0.067 0.000 0.895 36 R CB 1.892 32.246 30.300 0.089 0.000 1.195 36 R HN 0.330 nan 8.270 nan 0.000 0.450 37 E N 1.237 121.479 120.200 0.072 0.000 2.235 37 E HA 0.542 4.892 4.350 0.000 0.000 0.265 37 E C -0.875 175.822 176.600 0.161 0.000 0.940 37 E CA -0.875 55.611 56.400 0.145 0.000 0.819 37 E CB 2.149 32.025 29.700 0.294 0.000 1.206 37 E HN 0.410 nan 8.360 nan 0.000 0.409 38 C N 1.175 120.589 119.300 0.189 0.000 2.547 38 C HA 0.451 4.911 4.460 0.000 0.000 0.313 38 C C -0.538 174.596 174.990 0.241 0.000 1.191 38 C CA -0.825 58.308 59.018 0.191 0.000 1.474 38 C CB 0.902 28.686 27.740 0.073 0.000 2.081 38 C HN 0.695 nan 8.230 nan 0.000 0.476 39 K N 2.322 122.900 120.400 0.298 0.000 2.507 39 K HA 0.435 4.755 4.320 0.000 0.000 0.253 39 K C -0.566 176.141 176.600 0.179 0.000 0.969 39 K CA -0.112 56.313 56.287 0.230 0.000 0.908 39 K CB 0.626 33.282 32.500 0.259 0.000 1.127 39 K HN 0.698 nan 8.250 nan 0.000 0.437 40 E N 3.117 123.401 120.200 0.140 0.000 2.384 40 E HA 0.047 4.397 4.350 0.000 0.000 0.266 40 E C -0.120 176.573 176.600 0.155 0.000 1.012 40 E CA 0.169 56.656 56.400 0.146 0.000 0.901 40 E CB 0.679 30.467 29.700 0.147 0.000 0.967 40 E HN 0.501 nan 8.360 nan 0.000 0.435 41 L N 2.722 124.067 121.223 0.203 0.000 3.094 41 L HA 0.254 4.594 4.340 0.000 0.000 0.254 41 L C -0.382 176.717 176.870 0.383 0.000 1.298 41 L CA -0.498 54.492 54.840 0.251 0.000 1.050 41 L CB -0.083 42.160 42.059 0.307 0.000 1.420 41 L HN 0.389 nan 8.230 nan 0.000 0.548 42 D N 0.900 121.469 120.400 0.282 0.000 2.357 42 D HA 0.547 5.187 4.640 0.000 0.000 0.242 42 D C 0.875 177.348 176.300 0.288 0.000 1.153 42 D CA 1.103 55.275 54.000 0.287 0.000 0.918 42 D CB 1.327 42.260 40.800 0.223 0.000 1.181 42 D HN 0.325 nan 8.370 nan 0.000 0.435 43 G N -0.508 108.470 108.800 0.297 0.000 2.384 43 G HA2 -0.131 3.829 3.960 0.000 0.000 0.200 43 G HA3 -0.131 3.829 3.960 0.000 0.000 0.200 43 G C -1.049 174.067 174.900 0.360 0.000 1.205 43 G CA -0.781 44.473 45.100 0.256 0.000 1.116 43 G HN 0.462 nan 8.290 nan 0.000 0.547 44 L N 0.017 121.405 121.223 0.276 0.000 2.319 44 L HA 0.577 4.917 4.340 0.000 0.000 0.280 44 L C -0.282 176.822 176.870 0.389 0.000 1.099 44 L CA -0.309 54.711 54.840 0.300 0.000 0.828 44 L CB 0.644 42.803 42.059 0.166 0.000 1.150 44 L HN 0.510 nan 8.230 nan 0.000 0.442 45 W N 1.184 122.602 121.300 0.197 0.000 2.719 45 W HA 0.447 5.107 4.660 0.000 0.000 0.352 45 W C 0.073 176.730 176.519 0.230 0.000 1.085 45 W CA -0.498 56.996 57.345 0.249 0.000 1.187 45 W CB 1.611 31.312 29.460 0.402 0.000 1.417 45 W HN 0.271 nan 8.180 nan 0.000 0.557 46 S N 1.730 117.687 115.700 0.427 0.000 2.584 46 S HA 0.579 5.049 4.470 0.000 0.000 0.273 46 S C -1.241 173.575 174.600 0.360 0.000 1.311 46 S CA -0.213 58.176 58.200 0.315 0.000 1.034 46 S CB 0.319 63.656 63.200 0.228 0.000 0.939 46 S HN 0.280 nan 8.310 nan 0.000 0.513 47 F N 2.209 122.183 119.950 0.041 0.000 2.596 47 F HA 0.623 5.150 4.527 0.000 0.000 0.311 47 F C -0.618 175.116 175.800 -0.111 0.000 1.116 47 F CA -0.691 57.239 58.000 -0.117 0.000 0.957 47 F CB 1.301 40.139 39.000 -0.270 0.000 1.250 47 F HN 0.501 nan 8.300 nan 0.000 0.444 48 R N 4.370 124.458 120.500 -0.686 0.000 2.522 48 R HA 0.760 5.100 4.340 0.000 0.000 0.283 48 R C -1.682 174.142 176.300 -0.794 0.000 1.074 48 R CA -0.728 55.039 56.100 -0.556 0.000 0.925 48 R CB 1.753 31.820 30.300 -0.388 0.000 1.205 48 R HN 0.881 nan 8.270 nan 0.000 0.436 49 A N 2.642 124.973 122.820 -0.816 0.000 2.363 49 A HA 0.171 4.491 4.320 0.000 0.000 0.270 49 A C -0.480 176.640 177.584 -0.774 0.000 1.121 49 A CA -0.322 51.077 52.037 -1.063 0.000 0.800 49 A CB 0.756 18.683 19.000 -1.788 0.000 1.052 49 A HN 0.688 nan 8.150 nan 0.000 0.493 50 D N 2.263 122.497 120.400 -0.276 0.000 2.441 50 D HA 0.304 4.944 4.640 0.000 0.000 0.221 50 D C -0.413 175.965 176.300 0.130 0.000 1.156 50 D CA -0.275 53.782 54.000 0.096 0.000 0.896 50 D CB -0.243 40.731 40.800 0.291 0.000 1.028 50 D HN 0.310 nan 8.370 nan 0.000 0.509 51 F N 1.257 121.378 119.950 0.286 0.000 2.731 51 F HA 0.056 4.583 4.527 0.000 0.000 0.304 51 F C 1.475 177.451 175.800 0.294 0.000 1.133 51 F CA -0.385 57.819 58.000 0.340 0.000 1.380 51 F CB -0.687 38.440 39.000 0.212 0.000 1.079 51 F HN 0.154 nan 8.300 nan 0.000 0.550 52 S N -0.530 115.400 115.700 0.384 0.000 2.558 52 S HA -0.050 4.420 4.470 0.000 0.000 0.288 52 S C 1.107 175.880 174.600 0.289 0.000 1.318 52 S CA -0.625 57.745 58.200 0.283 0.000 1.056 52 S CB 0.822 64.140 63.200 0.196 0.000 0.853 52 S HN 0.196 nan 8.310 nan 0.000 0.505 53 D N 2.307 122.849 120.400 0.238 0.000 2.116 53 D HA -0.172 4.468 4.640 0.000 0.000 0.193 53 D C 1.629 178.061 176.300 0.221 0.000 0.998 53 D CA 1.980 56.123 54.000 0.237 0.000 0.836 53 D CB -0.487 40.424 40.800 0.186 0.000 0.951 53 D HN 0.893 nan 8.370 nan 0.000 0.449 54 N N 0.106 118.909 118.700 0.170 0.000 2.398 54 N HA -0.083 4.657 4.740 0.000 0.000 0.188 54 N C 0.144 175.761 175.510 0.179 0.000 1.122 54 N CA 0.106 53.239 53.050 0.138 0.000 0.866 54 N CB 0.140 38.680 38.487 0.089 0.000 0.970 54 N HN -0.126 nan 8.380 nan 0.000 0.462 55 R N -0.658 119.988 120.500 0.243 0.000 4.000 55 R HA -0.181 4.159 4.340 0.000 0.000 0.362 55 R C -0.039 176.500 176.300 0.397 0.000 1.183 55 R CA 0.879 57.182 56.100 0.339 0.000 1.011 55 R CB -2.239 28.244 30.300 0.305 0.000 1.501 55 R HN 0.565 nan 8.270 nan 0.000 0.553 56 R N -0.343 120.305 120.500 0.247 0.000 2.535 56 R HA 0.217 4.557 4.340 0.000 0.000 0.323 56 R C 1.701 178.019 176.300 0.031 0.000 0.979 56 R CA -0.011 56.228 56.100 0.231 0.000 1.120 56 R CB 0.407 30.805 30.300 0.164 0.000 1.306 56 R HN 0.099 nan 8.270 nan 0.000 0.540 57 R N 0.953 121.399 120.500 -0.089 0.000 2.117 57 R HA -0.120 4.220 4.340 0.000 0.000 0.243 57 R C 1.934 177.758 176.300 -0.793 0.000 1.143 57 R CA 1.938 57.883 56.100 -0.258 0.000 0.968 57 R CB -0.386 29.858 30.300 -0.093 0.000 0.863 57 R HN 0.268 nan 8.270 nan 0.000 0.444 58 G N -0.439 107.474 108.800 -1.478 0.000 2.450 58 G HA2 -0.240 3.720 3.960 0.000 0.000 0.220 58 G HA3 -0.240 3.720 3.960 0.000 0.000 0.220 58 G C 1.022 175.005 174.900 -1.529 0.000 1.130 58 G CA 0.663 44.084 45.100 -2.798 0.000 0.760 58 G HN 0.319 nan 8.290 nan 0.000 0.557 59 F N 0.683 120.322 119.950 -0.518 0.000 2.335 59 F HA 0.196 4.723 4.527 0.000 0.000 0.296 59 F C 2.645 178.316 175.800 -0.215 0.000 1.091 59 F CA 0.917 58.809 58.000 -0.181 0.000 1.399 59 F CB -0.043 38.914 39.000 -0.071 0.000 1.067 59 F HN 0.170 nan 8.300 nan 0.000 0.520 60 E N 0.364 120.500 120.200 -0.107 0.000 2.072 60 E HA -0.175 4.175 4.350 0.000 0.000 0.191 60 E C 1.638 178.137 176.600 -0.169 0.000 0.985 60 E CA 1.368 57.709 56.400 -0.098 0.000 0.801 60 E CB -0.223 29.431 29.700 -0.077 0.000 0.750 60 E HN 0.492 nan 8.360 nan 0.000 0.452 61 E N 0.494 120.514 120.200 -0.299 0.000 2.478 61 E HA -0.025 4.325 4.350 0.000 0.000 0.194 61 E C -0.441 175.945 176.600 -0.357 0.000 1.045 61 E CA -0.063 56.190 56.400 -0.245 0.000 0.868 61 E CB 0.200 29.844 29.700 -0.094 0.000 0.885 61 E HN 0.180 nan 8.360 nan 0.000 0.505 62 Q N -0.648 118.818 119.800 -0.557 0.000 2.453 62 Q HA -0.204 4.136 4.340 0.000 0.000 0.330 62 Q C -0.245 175.173 176.000 -0.970 0.000 1.417 62 Q CA 0.074 55.308 55.803 -0.949 0.000 0.902 62 Q CB -1.410 26.868 28.738 -0.767 0.000 1.154 62 Q HN 0.487 nan 8.270 nan 0.000 0.395 63 W N -0.333 120.363 121.300 -1.006 0.000 2.331 63 W HA -0.229 4.431 4.660 0.000 0.000 0.291 63 W C 2.032 178.128 176.519 -0.706 0.000 1.214 63 W CA 1.795 58.621 57.345 -0.865 0.000 1.228 63 W CB -1.284 27.510 29.460 -1.110 0.000 1.135 63 W HN 0.760 nan 8.180 nan 0.000 0.537 64 Y N -0.045 120.023 120.300 -0.387 0.000 2.483 64 Y HA -0.003 4.547 4.550 0.000 0.000 0.291 64 Y C 2.094 177.826 175.900 -0.281 0.000 1.143 64 Y CA 0.899 58.723 58.100 -0.461 0.000 1.289 64 Y CB -1.332 36.340 38.460 -1.313 0.000 0.983 64 Y HN -0.146 nan 8.280 nan 0.000 0.556 65 R N 0.661 120.931 120.500 -0.382 0.000 2.189 65 R HA 0.088 4.428 4.340 0.000 0.000 0.223 65 R C 0.198 176.429 176.300 -0.115 0.000 1.092 65 R CA 0.633 56.640 56.100 -0.156 0.000 0.989 65 R CB -0.074 30.092 30.300 -0.224 0.000 0.876 65 R HN 0.286 nan 8.270 nan 0.000 0.457 66 R N -0.156 120.238 120.500 -0.176 0.000 2.836 66 R HA 0.394 4.734 4.340 0.000 0.000 0.269 66 R C -2.757 173.422 176.300 -0.203 0.000 1.010 66 R CA -2.854 53.131 56.100 -0.191 0.000 0.930 66 R CB 0.476 30.608 30.300 -0.280 0.000 1.218 66 R HN -0.211 nan 8.270 nan 0.000 0.473 67 P HA -0.062 nan 4.420 nan 0.000 0.264 67 P C 0.922 178.011 177.300 -0.351 0.000 1.179 67 P CA -0.032 62.956 63.100 -0.186 0.000 0.763 67 P CB 0.481 32.111 31.700 -0.117 0.000 0.806 68 L N 5.243 126.376 121.223 -0.150 0.000 2.079 68 L HA -0.118 4.223 4.340 0.000 0.000 0.210 68 L C 1.893 178.576 176.870 -0.312 0.000 1.081 68 L CA 1.546 56.258 54.840 -0.215 0.000 0.752 68 L CB -1.289 40.745 42.059 -0.041 0.000 0.896 68 L HN 0.591 nan 8.230 nan 0.000 0.433 69 W N -0.404 120.793 121.300 -0.172 0.000 2.421 69 W HA -0.152 4.508 4.660 0.000 0.000 0.270 69 W C 1.447 177.845 176.519 -0.202 0.000 1.233 69 W CA 0.901 58.141 57.345 -0.176 0.000 1.226 69 W CB -0.975 28.422 29.460 -0.105 0.000 1.121 69 W HN 0.310 nan 8.180 nan 0.000 0.579 70 E N 1.177 120.671 120.200 -1.177 0.000 2.268 70 E HA -0.137 4.213 4.350 0.000 0.000 0.195 70 E C 2.130 178.379 176.600 -0.585 0.000 0.995 70 E CA 1.763 57.495 56.400 -1.113 0.000 0.836 70 E CB -0.101 28.913 29.700 -1.142 0.000 0.763 70 E HN 0.312 nan 8.360 nan 0.000 0.491 71 S N -0.635 114.708 115.700 -0.596 0.000 2.540 71 S HA 0.368 4.838 4.470 0.000 0.000 0.218 71 S C 0.640 174.882 174.600 -0.596 0.000 0.977 71 S CA -0.058 57.770 58.200 -0.620 0.000 0.918 71 S CB 1.243 63.872 63.200 -0.952 0.000 0.806 71 S HN 0.277 nan 8.310 nan 0.000 0.496 72 G N 1.049 109.582 108.800 -0.446 0.000 2.341 72 G HA2 0.379 4.339 3.960 0.000 0.000 0.293 72 G HA3 0.379 4.339 3.960 0.000 0.000 0.293 72 G C -3.562 171.218 174.900 -0.201 0.000 1.298 72 G CA -1.058 43.858 45.100 -0.307 0.000 0.868 72 G HN 0.008 nan 8.290 nan 0.000 0.540 73 P HA 0.311 nan 4.420 nan 0.000 0.262 73 P C 0.247 177.503 177.300 -0.074 0.000 1.182 73 P CA 0.489 63.556 63.100 -0.055 0.000 0.761 73 P CB 0.683 32.369 31.700 -0.024 0.000 0.795 74 T N -0.466 114.081 114.554 -0.012 0.000 2.916 74 T HA 0.757 5.107 4.350 0.000 0.000 0.292 74 T C -0.135 174.608 174.700 0.071 0.000 1.064 74 T CA -0.804 61.306 62.100 0.018 0.000 1.011 74 T CB 1.373 70.268 68.868 0.045 0.000 1.152 74 T HN 0.260 nan 8.240 nan 0.000 0.510 75 V N -1.886 118.105 119.914 0.128 0.000 3.141 75 V HA 0.687 4.807 4.120 0.000 0.000 0.312 75 V C -1.126 175.053 176.094 0.142 0.000 1.157 75 V CA -1.234 61.139 62.300 0.121 0.000 1.041 75 V CB 1.778 33.673 31.823 0.119 0.000 1.071 75 V HN 0.890 nan 8.190 nan 0.000 0.441 76 D N 1.920 122.381 120.400 0.103 0.000 2.345 76 D HA 0.564 5.204 4.640 0.000 0.000 0.247 76 D C -0.501 175.846 176.300 0.079 0.000 1.108 76 D CA 0.335 54.407 54.000 0.119 0.000 0.894 76 D CB 1.497 42.353 40.800 0.093 0.000 1.203 76 D HN 0.632 nan 8.370 nan 0.000 0.430 77 M N 3.470 123.151 119.600 0.135 0.000 2.267 77 M HA 0.331 4.812 4.480 0.000 0.000 0.289 77 M C -2.786 173.642 176.300 0.214 0.000 1.043 77 M CA -2.274 53.058 55.300 0.053 0.000 0.928 77 M CB 2.637 35.137 32.600 -0.167 0.000 1.613 77 M HN -0.011 nan 8.290 nan 0.000 0.450 78 P HA 0.346 nan 4.420 nan 0.000 0.275 78 P C -1.325 176.072 177.300 0.162 0.000 1.228 78 P CA -0.307 62.898 63.100 0.175 0.000 0.786 78 P CB 0.961 32.726 31.700 0.108 0.000 0.927 79 V N 4.134 124.140 119.914 0.154 0.000 2.623 79 V HA 0.355 4.475 4.120 0.000 0.000 0.304 79 V C -2.275 173.872 176.094 0.089 0.000 1.054 79 V CA -2.032 60.276 62.300 0.014 0.000 0.882 79 V CB 2.197 33.853 31.823 -0.279 0.000 1.002 79 V HN 0.552 nan 8.190 nan 0.000 0.424 80 P HA 0.444 nan 4.420 nan 0.000 0.279 80 P C -0.593 176.715 177.300 0.013 0.000 1.239 80 P CA -0.006 63.095 63.100 0.002 0.000 0.789 80 P CB 1.721 33.445 31.700 0.041 0.000 0.933 81 S N 1.193 116.891 115.700 -0.003 0.000 2.597 81 S HA 0.346 4.816 4.470 0.000 0.000 0.274 81 S C -0.904 173.704 174.600 0.013 0.000 1.132 81 S CA -0.538 57.660 58.200 -0.003 0.000 0.835 81 S CB 0.515 63.732 63.200 0.029 0.000 1.092 81 S HN 0.337 nan 8.310 nan 0.000 0.457 82 S N 1.984 117.657 115.700 -0.046 0.000 2.592 82 S HA 0.350 4.821 4.470 0.000 0.000 0.271 82 S C 0.835 175.465 174.600 0.050 0.000 1.326 82 S CA -0.235 57.946 58.200 -0.031 0.000 1.024 82 S CB 0.161 63.284 63.200 -0.128 0.000 0.921 82 S HN 0.693 nan 8.310 nan 0.000 0.527 83 F N 0.800 120.847 119.950 0.162 0.000 2.743 83 F HA 0.288 4.815 4.527 0.000 0.000 0.297 83 F C 1.039 176.889 175.800 0.084 0.000 1.131 83 F CA -0.070 57.944 58.000 0.024 0.000 1.426 83 F CB -1.002 37.937 39.000 -0.100 0.000 1.116 83 F HN 0.366 nan 8.300 nan 0.000 0.583 84 N N 0.611 119.337 118.700 0.043 0.000 2.270 84 N HA -0.106 4.634 4.740 0.000 0.000 0.181 84 N C 0.639 176.252 175.510 0.171 0.000 1.016 84 N CA 1.395 54.542 53.050 0.163 0.000 0.870 84 N CB -0.216 38.384 38.487 0.188 0.000 0.979 84 N HN 0.252 nan 8.380 nan 0.000 0.431 85 D N -0.558 119.939 120.400 0.162 0.000 2.402 85 D HA 0.154 4.794 4.640 0.000 0.000 0.216 85 D C 1.033 177.370 176.300 0.061 0.000 1.128 85 D CA -0.040 54.015 54.000 0.091 0.000 0.833 85 D CB 0.477 41.337 40.800 0.100 0.000 0.971 85 D HN 0.164 nan 8.370 nan 0.000 0.503 86 I N 0.477 121.089 120.570 0.071 0.000 2.716 86 I HA -0.035 4.135 4.170 0.000 0.000 0.259 86 I C 1.377 177.520 176.117 0.042 0.000 1.172 86 I CA 0.701 62.025 61.300 0.041 0.000 1.478 86 I CB -0.354 37.657 38.000 0.019 0.000 1.104 86 I HN -0.087 nan 8.210 nan 0.000 0.439 87 S N 0.376 116.115 115.700 0.064 0.000 2.766 87 S HA 0.364 4.834 4.470 0.000 0.000 0.307 87 S C 0.386 175.039 174.600 0.089 0.000 1.121 87 S CA -0.565 57.680 58.200 0.076 0.000 0.980 87 S CB 2.065 65.321 63.200 0.094 0.000 1.159 87 S HN 0.112 nan 8.310 nan 0.000 0.546 88 Q N 0.579 120.446 119.800 0.112 0.000 2.198 88 Q HA 0.294 4.634 4.340 0.000 0.000 0.209 88 Q C -0.744 175.407 176.000 0.251 0.000 0.848 88 Q CA -0.132 55.760 55.803 0.149 0.000 0.974 88 Q CB -0.335 28.493 28.738 0.149 0.000 1.115 88 Q HN 0.728 nan 8.270 nan 0.000 0.494 89 D N -0.334 120.199 120.400 0.221 0.000 2.358 89 D HA -0.045 4.595 4.640 0.000 0.000 0.258 89 D C 0.185 176.689 176.300 0.339 0.000 1.223 89 D CA -0.248 53.909 54.000 0.261 0.000 0.886 89 D CB 0.371 41.294 40.800 0.205 0.000 1.120 89 D HN 0.030 nan 8.370 nan 0.000 0.482 90 W N 3.611 124.949 121.300 0.064 0.000 2.392 90 W HA -0.058 4.602 4.660 0.000 0.000 0.279 90 W C 2.076 178.676 176.519 0.134 0.000 1.225 90 W CA 0.282 57.681 57.345 0.090 0.000 1.233 90 W CB -0.271 29.228 29.460 0.065 0.000 1.122 90 W HN 0.487 nan 8.180 nan 0.000 0.561 91 R N -0.859 119.822 120.500 0.301 0.000 2.246 91 R HA 0.019 4.359 4.340 0.000 0.000 0.199 91 R C 1.935 178.495 176.300 0.433 0.000 0.984 91 R CA 0.465 56.716 56.100 0.252 0.000 1.015 91 R CB -0.608 29.640 30.300 -0.085 0.000 0.930 91 R HN 0.074 nan 8.270 nan 0.000 0.475 92 L N 0.723 122.198 121.223 0.420 0.000 2.162 92 L HA 0.053 4.393 4.340 0.000 0.000 0.205 92 L C 2.237 179.417 176.870 0.515 0.000 1.086 92 L CA 1.546 56.695 54.840 0.514 0.000 0.778 92 L CB -0.283 42.028 42.059 0.420 0.000 0.928 92 L HN -0.027 nan 8.230 nan 0.000 0.446 93 R N -1.249 119.413 120.500 0.270 0.000 2.081 93 R HA -0.179 4.161 4.340 0.000 0.000 0.235 93 R C 1.148 177.462 176.300 0.023 0.000 1.131 93 R CA 1.961 58.085 56.100 0.040 0.000 0.960 93 R CB -0.243 29.858 30.300 -0.333 0.000 0.856 93 R HN 0.549 nan 8.270 nan 0.000 0.436 94 H N -1.638 117.645 119.070 0.354 0.000 2.505 94 H HA 0.111 4.667 4.556 0.000 0.000 0.289 94 H C -0.631 174.857 175.328 0.268 0.000 1.052 94 H CA -0.647 55.565 56.048 0.274 0.000 1.156 94 H CB 0.087 29.946 29.762 0.162 0.000 1.507 94 H HN 0.068 nan 8.280 nan 0.000 0.548 95 F N 2.129 122.283 119.950 0.341 0.000 2.607 95 F HA 0.143 4.670 4.527 0.000 0.000 0.374 95 F C -0.191 175.751 175.800 0.237 0.000 1.104 95 F CA -0.201 57.998 58.000 0.332 0.000 1.296 95 F CB 0.472 39.718 39.000 0.410 0.000 1.085 95 F HN -0.180 nan 8.300 nan 0.000 0.584 96 V N 6.334 125.851 119.914 -0.660 0.000 2.483 96 V HA 0.847 4.967 4.120 0.000 0.000 0.297 96 V C 0.192 175.748 176.094 -0.896 0.000 1.027 96 V CA 0.222 62.206 62.300 -0.527 0.000 0.855 96 V CB 0.624 32.394 31.823 -0.089 0.000 0.995 96 V HN 1.239 nan 8.190 nan 0.000 0.424 97 G N 3.856 112.205 108.800 -0.751 0.000 2.398 97 G HA2 0.135 4.095 3.960 0.000 0.000 0.251 97 G HA3 0.135 4.095 3.960 0.000 0.000 0.251 97 G C -2.183 172.663 174.900 -0.091 0.000 1.277 97 G CA -0.800 44.040 45.100 -0.434 0.000 0.927 97 G HN 0.468 nan 8.290 nan 0.000 0.477 98 W N 1.073 122.579 121.300 0.344 0.000 2.433 98 W HA 0.580 5.240 4.660 0.000 0.000 0.315 98 W C 0.569 177.306 176.519 0.364 0.000 1.087 98 W CA -0.507 57.040 57.345 0.336 0.000 1.205 98 W CB 1.802 31.482 29.460 0.366 0.000 1.288 98 W HN 0.518 nan 8.180 nan 0.000 0.504 99 V N 0.739 120.879 119.914 0.377 0.000 2.630 99 V HA 0.646 4.766 4.120 0.000 0.000 0.305 99 V C -1.364 174.729 176.094 -0.002 0.000 1.046 99 V CA -1.338 60.952 62.300 -0.017 0.000 0.934 99 V CB 1.167 32.777 31.823 -0.356 0.000 1.003 99 V HN 0.552 nan 8.190 nan 0.000 0.451 100 W N 2.661 123.787 121.300 -0.290 0.000 2.471 100 W HA 0.741 5.401 4.660 0.000 0.000 0.318 100 W C -0.908 175.556 176.519 -0.091 0.000 1.034 100 W CA -0.500 56.840 57.345 -0.010 0.000 1.224 100 W CB 1.386 30.878 29.460 0.054 0.000 1.335 100 W HN 0.604 nan 8.180 nan 0.000 0.452 101 Y N 1.598 122.089 120.300 0.319 0.000 2.446 101 Y HA 0.517 5.067 4.550 0.000 0.000 0.338 101 Y C 0.129 176.369 175.900 0.567 0.000 1.055 101 Y CA -1.060 57.306 58.100 0.443 0.000 1.101 101 Y CB 2.287 40.963 38.460 0.362 0.000 1.221 101 Y HN 0.374 nan 8.280 nan 0.000 0.460 102 E N 2.011 122.684 120.200 0.788 0.000 2.352 102 E HA 0.587 4.937 4.350 0.000 0.000 0.280 102 E C -1.794 174.958 176.600 0.252 0.000 0.930 102 E CA -1.011 55.717 56.400 0.546 0.000 0.765 102 E CB 2.007 31.909 29.700 0.337 0.000 1.219 102 E HN 0.624 nan 8.360 nan 0.000 0.434 103 R N 2.043 122.444 120.500 -0.166 0.000 2.651 103 R HA 0.355 4.695 4.340 0.000 0.000 0.278 103 R C -1.525 174.608 176.300 -0.278 0.000 1.010 103 R CA -0.394 55.354 56.100 -0.587 0.000 0.896 103 R CB 1.621 30.889 30.300 -1.719 0.000 1.211 103 R HN 0.472 nan 8.270 nan 0.000 0.456 104 E N 2.729 122.812 120.200 -0.194 0.000 2.179 104 E HA 0.485 4.835 4.350 0.000 0.000 0.275 104 E C -0.923 175.607 176.600 -0.116 0.000 0.945 104 E CA -1.144 55.198 56.400 -0.098 0.000 0.792 104 E CB 2.361 32.042 29.700 -0.032 0.000 1.125 104 E HN 0.306 nan 8.360 nan 0.000 0.397 105 V N 3.098 122.967 119.914 -0.075 0.000 2.656 105 V HA 0.424 4.544 4.120 0.000 0.000 0.307 105 V C -0.178 175.886 176.094 -0.050 0.000 1.051 105 V CA -0.844 61.415 62.300 -0.068 0.000 0.893 105 V CB 1.731 33.527 31.823 -0.045 0.000 0.999 105 V HN 0.615 nan 8.190 nan 0.000 0.426 106 I N 4.722 125.251 120.570 -0.068 0.000 2.304 106 I HA 0.297 4.467 4.170 0.000 0.000 0.291 106 I C -0.674 175.364 176.117 -0.131 0.000 1.018 106 I CA -0.421 60.833 61.300 -0.077 0.000 1.260 106 I CB 1.295 39.251 38.000 -0.074 0.000 1.390 106 I HN 0.363 nan 8.210 nan 0.000 0.475 107 L N 9.126 130.273 121.223 -0.126 0.000 2.375 107 L HA 0.419 4.760 4.340 0.000 0.000 0.271 107 L C -1.953 174.718 176.870 -0.331 0.000 1.107 107 L CA -1.693 53.001 54.840 -0.243 0.000 0.806 107 L CB -0.405 41.625 42.059 -0.048 0.000 1.146 107 L HN 0.335 nan 8.230 nan 0.000 0.447 108 P HA 0.008 nan 4.420 nan 0.000 0.265 108 P C 0.387 177.545 177.300 -0.237 0.000 1.193 108 P CA -0.097 62.699 63.100 -0.508 0.000 0.765 108 P CB 0.378 31.553 31.700 -0.876 0.000 0.823 109 E N 3.520 123.653 120.200 -0.111 0.000 2.153 109 E HA -0.293 4.057 4.350 0.000 0.000 0.194 109 E C 1.730 178.359 176.600 0.049 0.000 0.988 109 E CA 0.818 57.206 56.400 -0.018 0.000 0.811 109 E CB -0.263 29.428 29.700 -0.015 0.000 0.746 109 E HN 0.086 nan 8.360 nan 0.000 0.466 110 R N 0.519 121.057 120.500 0.063 0.000 2.105 110 R HA -0.165 4.175 4.340 0.000 0.000 0.239 110 R C 1.484 177.953 176.300 0.281 0.000 1.135 110 R CA 2.022 58.214 56.100 0.152 0.000 0.967 110 R CB -0.927 29.473 30.300 0.166 0.000 0.861 110 R HN 0.398 nan 8.270 nan 0.000 0.442 111 W N 0.128 121.427 121.300 -0.001 0.000 2.358 111 W HA -0.026 4.634 4.660 0.000 0.000 0.303 111 W C 2.333 178.847 176.519 -0.008 0.000 1.208 111 W CA 2.094 59.435 57.345 -0.007 0.000 1.274 111 W CB -1.282 28.172 29.460 -0.011 0.000 1.138 111 W HN 0.387 nan 8.180 nan 0.000 0.515 112 T N -3.274 111.418 114.554 0.229 0.000 3.051 112 T HA -0.013 4.337 4.350 0.000 0.000 0.255 112 T C 1.482 176.233 174.700 0.086 0.000 1.085 112 T CA 0.784 62.962 62.100 0.131 0.000 1.109 112 T CB 0.055 68.981 68.868 0.096 0.000 0.921 112 T HN -0.036 nan 8.240 nan 0.000 0.488 113 Q N 0.788 120.639 119.800 0.084 0.000 2.390 113 Q HA 0.207 4.547 4.340 0.000 0.000 0.216 113 Q C 0.308 176.341 176.000 0.055 0.000 0.916 113 Q CA 0.470 56.308 55.803 0.058 0.000 0.911 113 Q CB -0.094 28.673 28.738 0.049 0.000 1.035 113 Q HN 0.486 nan 8.270 nan 0.000 0.541 114 D N 1.323 121.764 120.400 0.068 0.000 2.365 114 D HA 0.101 4.741 4.640 0.000 0.000 0.237 114 D C 0.698 177.022 176.300 0.040 0.000 1.190 114 D CA -0.046 53.987 54.000 0.055 0.000 0.867 114 D CB 0.590 41.431 40.800 0.067 0.000 1.050 114 D HN 0.056 nan 8.370 nan 0.000 0.491 115 L N 3.452 124.692 121.223 0.029 0.000 2.622 115 L HA 0.058 4.398 4.340 0.000 0.000 0.233 115 L C 2.014 178.889 176.870 0.008 0.000 1.156 115 L CA 0.248 55.098 54.840 0.017 0.000 0.866 115 L CB -0.073 41.997 42.059 0.018 0.000 0.980 115 L HN 0.183 nan 8.230 nan 0.000 0.448 116 R N -0.744 119.763 120.500 0.011 0.000 2.299 116 R HA 0.038 4.378 4.340 0.000 0.000 0.197 116 R C 0.334 176.623 176.300 -0.019 0.000 0.971 116 R CA 0.252 56.356 56.100 0.006 0.000 1.030 116 R CB -0.165 30.146 30.300 0.018 0.000 0.932 116 R HN 0.174 nan 8.270 nan 0.000 0.477 117 T N 1.552 116.084 114.554 -0.037 0.000 2.780 117 T HA 0.169 4.519 4.350 0.000 0.000 0.294 117 T C -0.109 174.503 174.700 -0.146 0.000 0.949 117 T CA -0.401 61.635 62.100 -0.108 0.000 1.074 117 T CB 1.366 70.162 68.868 -0.120 0.000 0.910 117 T HN 0.144 nan 8.240 nan 0.000 0.501 118 R N 2.844 123.220 120.500 -0.206 0.000 2.265 118 R HA 0.532 4.872 4.340 0.000 0.000 0.319 118 R C -1.339 174.726 176.300 -0.391 0.000 1.006 118 R CA -0.493 55.454 56.100 -0.256 0.000 0.880 118 R CB 0.586 30.721 30.300 -0.276 0.000 1.077 118 R HN 0.432 nan 8.270 nan 0.000 0.454 119 V N 5.664 125.361 119.914 -0.362 0.000 2.417 119 V HA 0.391 4.512 4.120 0.000 0.000 0.291 119 V C -0.454 175.389 176.094 -0.418 0.000 1.024 119 V CA -0.706 61.330 62.300 -0.441 0.000 0.861 119 V CB 1.705 33.364 31.823 -0.273 0.000 0.985 119 V HN 0.539 nan 8.190 nan 0.000 0.436 120 V N 5.782 125.341 119.914 -0.592 0.000 2.604 120 V HA 0.499 4.619 4.120 0.000 0.000 0.305 120 V C -0.555 175.302 176.094 -0.395 0.000 1.043 120 V CA -0.727 61.206 62.300 -0.610 0.000 0.888 120 V CB 1.936 33.039 31.823 -1.200 0.000 0.995 120 V HN 0.673 nan 8.190 nan 0.000 0.429 121 L N 5.105 126.208 121.223 -0.200 0.000 2.265 121 L HA 0.739 5.079 4.340 0.000 0.000 0.289 121 L C -0.317 176.512 176.870 -0.069 0.000 1.033 121 L CA -0.293 54.504 54.840 -0.071 0.000 0.814 121 L CB 1.087 43.140 42.059 -0.010 0.000 1.203 121 L HN 0.740 nan 8.230 nan 0.000 0.423 122 R N 5.801 126.289 120.500 -0.020 0.000 2.387 122 R HA 0.633 4.973 4.340 0.000 0.000 0.314 122 R C -1.549 174.640 176.300 -0.185 0.000 0.958 122 R CA -0.495 55.569 56.100 -0.062 0.000 0.846 122 R CB 0.771 31.121 30.300 0.083 0.000 1.147 122 R HN 0.588 nan 8.270 nan 0.000 0.447 123 I N 5.096 125.396 120.570 -0.449 0.000 2.330 123 I HA 0.290 4.460 4.170 0.000 0.000 0.289 123 I C 1.328 177.117 176.117 -0.548 0.000 1.001 123 I CA -0.481 60.461 61.300 -0.597 0.000 1.193 123 I CB 1.020 38.370 38.000 -1.084 0.000 1.345 123 I HN 0.967 nan 8.210 nan 0.000 0.461 124 G N 5.153 113.772 108.800 -0.302 0.000 2.422 124 G HA2 -0.046 3.914 3.960 0.000 0.000 0.218 124 G HA3 -0.046 3.914 3.960 0.000 0.000 0.218 124 G C 0.499 175.307 174.900 -0.153 0.000 1.146 124 G CA 1.044 46.035 45.100 -0.183 0.000 0.769 124 G HN 0.698 nan 8.290 nan 0.000 0.547 125 S N -3.141 112.459 115.700 -0.168 0.000 2.611 125 S HA 0.745 5.215 4.470 0.000 0.000 0.270 125 S C -0.453 174.149 174.600 0.003 0.000 1.131 125 S CA 0.135 58.305 58.200 -0.049 0.000 0.826 125 S CB 1.325 64.489 63.200 -0.059 0.000 1.095 125 S HN 1.130 nan 8.310 nan 0.000 0.461 126 A N 0.688 123.566 122.820 0.098 0.000 2.597 126 A HA 0.876 5.196 4.320 0.000 0.000 0.191 126 A C 0.011 177.620 177.584 0.041 0.000 1.336 126 A CA 0.068 52.172 52.037 0.111 0.000 1.516 126 A CB -0.189 18.976 19.000 0.274 0.000 1.849 126 A HN 1.121 nan 8.150 nan 0.000 0.640 127 H N -2.230 116.816 119.070 -0.041 0.000 3.997 127 H HA 0.348 4.904 4.556 0.000 0.000 0.371 127 H C 1.394 176.673 175.328 -0.082 0.000 1.530 127 H CA 0.401 56.387 56.048 -0.104 0.000 1.082 127 H CB 0.545 30.281 29.762 -0.044 0.000 1.466 127 H HN 0.379 nan 8.280 nan 0.000 0.793 128 S N -0.558 115.306 115.700 0.272 0.000 2.365 128 S HA -0.118 4.352 4.470 0.000 0.000 0.225 128 S C 0.028 174.663 174.600 0.058 0.000 1.039 128 S CA 1.607 59.871 58.200 0.106 0.000 1.033 128 S CB -0.108 63.155 63.200 0.105 0.000 0.887 128 S HN 0.345 nan 8.310 nan 0.000 0.447 129 Y N -0.678 119.562 120.300 -0.099 0.000 2.524 129 Y HA 0.600 5.150 4.550 0.000 0.000 0.347 129 Y C -0.817 175.082 175.900 -0.001 0.000 1.005 129 Y CA -0.977 57.062 58.100 -0.101 0.000 1.025 129 Y CB 1.559 39.942 38.460 -0.129 0.000 1.275 129 Y HN 0.054 nan 8.280 nan 0.000 0.460 130 A N 5.220 127.909 122.820 -0.218 0.000 2.455 130 A HA 0.814 5.134 4.320 0.000 0.000 0.300 130 A C -1.843 175.713 177.584 -0.046 0.000 1.040 130 A CA -0.556 51.501 52.037 0.033 0.000 0.697 130 A CB 0.955 19.974 19.000 0.031 0.000 1.265 130 A HN 0.640 nan 8.150 nan 0.000 0.407 131 I N 1.751 122.360 120.570 0.065 0.000 2.509 131 I HA 0.526 4.697 4.170 0.000 0.000 0.293 131 I C -0.805 175.088 176.117 -0.374 0.000 1.020 131 I CA -1.029 60.111 61.300 -0.266 0.000 1.088 131 I CB 2.250 39.939 38.000 -0.518 0.000 1.267 131 I HN 0.330 nan 8.210 nan 0.000 0.430 132 V N 4.780 124.468 119.914 -0.377 0.000 2.448 132 V HA 0.409 4.529 4.120 0.000 0.000 0.295 132 V C -0.801 175.132 176.094 -0.269 0.000 1.025 132 V CA -0.563 61.660 62.300 -0.129 0.000 0.859 132 V CB 1.724 33.584 31.823 0.061 0.000 0.988 132 V HN 0.590 nan 8.190 nan 0.000 0.431 133 W N 3.039 124.391 121.300 0.086 0.000 2.606 133 W HA 0.690 5.350 4.660 0.000 0.000 0.332 133 W C -0.955 175.629 176.519 0.108 0.000 1.052 133 W CA -0.715 56.671 57.345 0.068 0.000 1.223 133 W CB 2.160 31.661 29.460 0.069 0.000 1.383 133 W HN 0.263 nan 8.180 nan 0.000 0.524 134 V N 4.063 124.149 119.914 0.287 0.000 2.378 134 V HA 0.096 4.216 4.120 0.000 0.000 0.288 134 V C 0.147 176.356 176.094 0.192 0.000 1.016 134 V CA -0.866 61.557 62.300 0.205 0.000 0.840 134 V CB 1.113 33.016 31.823 0.132 0.000 0.994 134 V HN 0.646 nan 8.190 nan 0.000 0.431 135 N N 4.391 123.196 118.700 0.174 0.000 2.714 135 N HA -0.227 4.513 4.740 0.000 0.000 0.252 135 N C 1.244 176.857 175.510 0.172 0.000 1.014 135 N CA 1.535 54.672 53.050 0.144 0.000 0.735 135 N CB -0.994 37.557 38.487 0.106 0.000 0.924 135 N HN 1.474 nan 8.380 nan 0.000 0.540 136 G N -3.037 105.906 108.800 0.238 0.000 2.184 136 G HA2 -0.333 3.627 3.960 0.000 0.000 0.264 136 G HA3 -0.333 3.627 3.960 0.000 0.000 0.264 136 G C 0.037 175.156 174.900 0.365 0.000 0.975 136 G CA 0.387 45.655 45.100 0.280 0.000 0.642 136 G HN 0.509 nan 8.290 nan 0.000 0.536 137 V N 2.290 122.396 119.914 0.320 0.000 2.370 137 V HA 0.449 4.569 4.120 0.000 0.000 0.279 137 V C 0.370 176.604 176.094 0.233 0.000 1.029 137 V CA -0.301 62.154 62.300 0.259 0.000 0.870 137 V CB 1.279 33.193 31.823 0.151 0.000 0.984 137 V HN 0.554 nan 8.190 nan 0.000 0.451 138 D N 2.921 123.407 120.400 0.144 0.000 2.458 138 D HA 0.195 4.835 4.640 0.000 0.000 0.243 138 D C 0.606 176.823 176.300 -0.138 0.000 1.146 138 D CA 0.014 53.853 54.000 -0.268 0.000 0.877 138 D CB 1.100 41.647 40.800 -0.421 0.000 1.176 138 D HN 0.492 nan 8.370 nan 0.000 0.461 139 T N 1.395 115.850 114.554 -0.165 0.000 2.993 139 T HA 0.170 4.520 4.350 0.000 0.000 0.260 139 T C -0.421 174.242 174.700 -0.062 0.000 0.939 139 T CA -0.290 61.770 62.100 -0.067 0.000 0.886 139 T CB 0.209 69.072 68.868 -0.008 0.000 1.209 139 T HN 0.362 nan 8.240 nan 0.000 0.518 140 L N 1.528 122.690 121.223 -0.101 0.000 2.611 140 L HA 0.572 4.912 4.340 0.000 0.000 0.260 140 L C -2.061 174.751 176.870 -0.097 0.000 0.924 140 L CA -0.397 54.422 54.840 -0.034 0.000 0.901 140 L CB 2.092 44.195 42.059 0.073 0.000 1.369 140 L HN -0.025 nan 8.230 nan 0.000 0.415 141 E N 3.124 123.251 120.200 -0.122 0.000 2.369 141 E HA 0.554 4.904 4.350 0.000 0.000 0.270 141 E C -1.700 174.640 176.600 -0.434 0.000 0.909 141 E CA -0.913 55.327 56.400 -0.267 0.000 0.775 141 E CB 2.536 32.145 29.700 -0.152 0.000 1.270 141 E HN 0.599 nan 8.360 nan 0.000 0.445 142 H N 1.184 119.681 119.070 -0.955 0.000 3.029 142 H HA 0.158 4.714 4.556 0.000 0.000 0.358 142 H C -1.586 173.137 175.328 -1.007 0.000 1.129 142 H CA -0.456 54.984 56.048 -1.013 0.000 1.230 142 H CB 2.044 30.783 29.762 -1.704 0.000 1.827 142 H HN 0.454 nan 8.280 nan 0.000 0.530 143 E N 2.495 122.030 120.200 -1.108 0.000 2.175 143 E HA 0.472 4.822 4.350 0.000 0.000 0.278 143 E C -0.320 175.924 176.600 -0.593 0.000 0.969 143 E CA 0.192 56.202 56.400 -0.650 0.000 0.796 143 E CB 1.186 30.734 29.700 -0.252 0.000 1.104 143 E HN 0.990 nan 8.360 nan 0.000 0.395 144 G N 2.278 110.950 108.800 -0.213 0.000 2.784 144 G HA2 0.037 3.998 3.960 0.000 0.000 0.686 144 G HA3 0.037 3.998 3.960 0.000 0.000 0.686 144 G C -0.003 174.910 174.900 0.022 0.000 1.156 144 G CA -0.536 44.534 45.100 -0.050 0.000 0.757 144 G HN 0.674 nan 8.290 nan 0.000 0.642 145 G N -0.528 108.204 108.800 -0.113 0.000 2.535 145 G HA2 0.698 4.658 3.960 0.000 0.000 0.303 145 G HA3 0.698 4.658 3.960 0.000 0.000 0.303 145 G C 0.464 175.273 174.900 -0.151 0.000 1.237 145 G CA 0.408 45.292 45.100 -0.360 0.000 0.986 145 G HN 1.872 nan 8.290 nan 0.000 0.494 146 Y N -3.114 117.176 120.300 -0.017 0.000 4.881 146 Y HA -0.178 4.372 4.550 0.000 0.000 0.241 146 Y C 0.401 176.340 175.900 0.066 0.000 0.985 146 Y CA 0.450 58.562 58.100 0.019 0.000 1.976 146 Y CB -2.283 36.206 38.460 0.049 0.000 1.528 146 Y HN 0.312 nan 8.280 nan 0.000 0.581 147 L N 1.437 122.750 121.223 0.150 0.000 2.422 147 L HA 0.587 4.927 4.340 0.000 0.000 0.264 147 L C -2.362 174.522 176.870 0.023 0.000 0.984 147 L CA -2.005 52.908 54.840 0.121 0.000 0.819 147 L CB 2.942 45.108 42.059 0.178 0.000 1.330 147 L HN -0.360 nan 8.230 nan 0.000 0.410 148 P HA 0.343 nan 4.420 nan 0.000 0.277 148 P C -1.404 175.875 177.300 -0.035 0.000 1.240 148 P CA -0.139 62.922 63.100 -0.065 0.000 0.798 148 P CB 0.882 32.568 31.700 -0.023 0.000 0.979 149 F N -1.548 118.249 119.950 -0.255 0.000 2.631 149 F HA 0.770 5.297 4.527 0.000 0.000 0.308 149 F C -0.739 175.005 175.800 -0.093 0.000 1.097 149 F CA -1.247 56.631 58.000 -0.204 0.000 0.952 149 F CB 1.685 40.482 39.000 -0.338 0.000 1.307 149 F HN 0.471 nan 8.300 nan 0.000 0.450 150 E N 1.698 121.941 120.200 0.072 0.000 2.449 150 E HA 0.887 5.237 4.350 0.000 0.000 0.278 150 E C -2.070 174.548 176.600 0.030 0.000 0.992 150 E CA -1.597 54.802 56.400 -0.003 0.000 0.807 150 E CB 2.268 31.972 29.700 0.006 0.000 1.350 150 E HN 1.307 nan 8.360 nan 0.000 0.462 151 A N 1.343 124.147 122.820 -0.028 0.000 2.488 151 A HA 0.366 4.686 4.320 0.000 0.000 0.298 151 A C -1.570 175.952 177.584 -0.102 0.000 1.044 151 A CA -0.780 51.237 52.037 -0.034 0.000 0.693 151 A CB 1.742 20.740 19.000 -0.003 0.000 1.272 151 A HN 0.643 nan 8.150 nan 0.000 0.402 152 D N 2.584 122.919 120.400 -0.108 0.000 2.346 152 D HA 0.191 4.831 4.640 0.000 0.000 0.260 152 D C 0.789 177.031 176.300 -0.096 0.000 1.252 152 D CA 0.012 53.923 54.000 -0.149 0.000 0.895 152 D CB 0.402 41.124 40.800 -0.129 0.000 1.097 152 D HN 0.548 nan 8.370 nan 0.000 0.489 153 I N 0.795 121.303 120.570 -0.103 0.000 3.889 153 I HA 0.132 4.302 4.170 0.000 0.000 0.332 153 I C 1.083 177.176 176.117 -0.040 0.000 1.493 153 I CA -0.592 60.679 61.300 -0.048 0.000 1.158 153 I CB 0.237 38.226 38.000 -0.018 0.000 1.117 153 I HN -0.004 nan 8.210 nan 0.000 0.411 154 S N 2.965 118.624 115.700 -0.069 0.000 2.370 154 S HA -0.228 4.242 4.470 0.000 0.000 0.226 154 S C 2.003 176.595 174.600 -0.014 0.000 1.033 154 S CA 2.204 60.372 58.200 -0.053 0.000 1.011 154 S CB -0.630 62.526 63.200 -0.073 0.000 0.852 154 S HN 0.819 nan 8.310 nan 0.000 0.457 155 N N 2.183 120.877 118.700 -0.009 0.000 2.104 155 N HA -0.144 4.596 4.740 0.000 0.000 0.190 155 N C 1.556 177.079 175.510 0.020 0.000 1.024 155 N CA 1.361 54.416 53.050 0.007 0.000 0.853 155 N CB -0.727 37.765 38.487 0.008 0.000 1.008 155 N HN 0.420 nan 8.380 nan 0.000 0.424 156 L N 0.073 121.310 121.223 0.024 0.000 2.341 156 L HA 0.080 4.420 4.340 0.000 0.000 0.214 156 L C 2.269 179.167 176.870 0.047 0.000 1.115 156 L CA 0.151 55.015 54.840 0.040 0.000 0.820 156 L CB 0.116 42.205 42.059 0.049 0.000 0.944 156 L HN -0.015 nan 8.230 nan 0.000 0.452 157 V N -1.055 118.885 119.914 0.044 0.000 2.878 157 V HA -0.095 4.026 4.120 0.000 0.000 0.250 157 V C 1.489 177.618 176.094 0.058 0.000 1.075 157 V CA 1.052 63.388 62.300 0.061 0.000 1.096 157 V CB 0.025 31.894 31.823 0.076 0.000 0.724 157 V HN 0.451 nan 8.190 nan 0.000 0.467 158 Q N -0.668 119.158 119.800 0.043 0.000 2.189 158 Q HA 0.451 4.791 4.340 0.000 0.000 0.221 158 Q C -0.370 175.650 176.000 0.034 0.000 0.848 158 Q CA 0.090 55.917 55.803 0.041 0.000 1.007 158 Q CB 1.573 30.331 28.738 0.032 0.000 1.116 158 Q HN 0.388 nan 8.270 nan 0.000 0.481 165 R N 0.963 121.473 120.500 0.016 0.000 2.637 165 R HA 0.556 4.896 4.340 0.000 0.000 0.291 165 R C -0.987 175.330 176.300 0.028 0.000 0.963 165 R CA -0.980 55.127 56.100 0.013 0.000 0.901 165 R CB 1.677 31.984 30.300 0.011 0.000 1.160 165 R HN 0.265 nan 8.270 nan 0.000 0.457 166 L N 2.881 124.120 121.223 0.026 0.000 2.313 166 L HA 0.295 4.635 4.340 0.000 0.000 0.282 166 L C -0.200 176.693 176.870 0.039 0.000 1.092 166 L CA 0.235 55.103 54.840 0.046 0.000 0.831 166 L CB 0.513 42.606 42.059 0.056 0.000 1.159 166 L HN 0.483 nan 8.230 nan 0.000 0.442 167 R N 6.003 126.542 120.500 0.066 0.000 2.265 167 R HA 0.556 4.896 4.340 0.000 0.000 0.328 167 R C -1.253 175.124 176.300 0.128 0.000 0.969 167 R CA -0.473 55.673 56.100 0.077 0.000 0.832 167 R CB 0.556 30.910 30.300 0.089 0.000 1.139 167 R HN 0.772 nan 8.270 nan 0.000 0.457 168 I N 4.194 124.837 120.570 0.122 0.000 2.339 168 I HA 0.256 4.427 4.170 0.000 0.000 0.290 168 I C -0.385 175.946 176.117 0.356 0.000 0.994 168 I CA -0.506 60.930 61.300 0.227 0.000 1.191 168 I CB 2.105 40.235 38.000 0.216 0.000 1.343 168 I HN 0.568 nan 8.210 nan 0.000 0.458 169 T N 7.196 122.018 114.554 0.448 0.000 2.807 169 T HA 0.641 4.991 4.350 0.000 0.000 0.279 169 T C -0.221 174.859 174.700 0.633 0.000 0.993 169 T CA -0.398 62.035 62.100 0.556 0.000 0.970 169 T CB 1.426 70.615 68.868 0.534 0.000 0.950 169 T HN 0.279 nan 8.240 nan 0.000 0.441 170 I N 2.374 123.286 120.570 0.570 0.000 2.439 170 I HA 0.596 4.766 4.170 0.000 0.000 0.285 170 I C -0.045 176.261 176.117 0.315 0.000 1.021 170 I CA -1.121 60.425 61.300 0.411 0.000 1.091 170 I CB 1.626 39.795 38.000 0.281 0.000 1.242 170 I HN 0.671 nan 8.210 nan 0.000 0.439 171 A N 7.920 130.843 122.820 0.172 0.000 2.292 171 A HA 0.861 5.181 4.320 0.000 0.000 0.319 171 A C -0.601 177.191 177.584 0.346 0.000 1.206 171 A CA -0.367 51.589 52.037 -0.134 0.000 0.835 171 A CB 0.591 19.098 19.000 -0.821 0.000 1.164 171 A HN 0.701 nan 8.150 nan 0.000 0.505 172 I N 2.822 123.640 120.570 0.414 0.000 2.466 172 I HA 0.265 4.435 4.170 0.000 0.000 0.289 172 I C -0.344 175.883 176.117 0.184 0.000 1.026 172 I CA -0.618 60.891 61.300 0.348 0.000 1.078 172 I CB 1.904 40.096 38.000 0.320 0.000 1.249 172 I HN 0.650 nan 8.210 nan 0.000 0.429 173 N N 5.243 123.813 118.700 -0.216 0.000 2.421 173 N HA 0.193 4.933 4.740 0.000 0.000 0.285 173 N C -0.180 175.154 175.510 -0.294 0.000 1.027 173 N CA -0.262 52.413 53.050 -0.626 0.000 0.918 173 N CB 1.299 38.985 38.487 -1.335 0.000 1.152 173 N HN 0.653 nan 8.380 nan 0.000 0.485 174 N N 1.225 119.731 118.700 -0.324 0.000 2.214 174 N HA 0.024 4.764 4.740 0.000 0.000 0.214 174 N C -0.682 174.668 175.510 -0.266 0.000 1.132 174 N CA -0.279 52.460 53.050 -0.518 0.000 0.856 174 N CB -0.037 38.087 38.487 -0.605 0.000 1.020 174 N HN 0.192 nan 8.380 nan 0.000 0.509 175 T N 1.817 116.247 114.554 -0.207 0.000 2.814 175 T HA 0.309 4.659 4.350 0.000 0.000 0.297 175 T C 0.287 174.954 174.700 -0.056 0.000 0.956 175 T CA -0.277 61.740 62.100 -0.138 0.000 1.123 175 T CB 0.934 69.691 68.868 -0.184 0.000 0.902 175 T HN 0.115 nan 8.240 nan 0.000 0.528 176 L N 3.767 124.983 121.223 -0.012 0.000 2.325 176 L HA 0.670 5.010 4.340 0.000 0.000 0.279 176 L C 0.928 177.784 176.870 -0.023 0.000 1.054 176 L CA -0.734 54.111 54.840 0.008 0.000 0.804 176 L CB 1.460 43.567 42.059 0.079 0.000 1.200 176 L HN 0.773 nan 8.230 nan 0.000 0.436 177 T N -1.547 112.973 114.554 -0.058 0.000 2.838 177 T HA 0.424 4.774 4.350 0.000 0.000 0.292 177 T C -2.471 172.178 174.700 -0.086 0.000 1.113 177 T CA -1.839 60.235 62.100 -0.045 0.000 1.008 177 T CB 1.938 70.769 68.868 -0.061 0.000 1.259 177 T HN 0.193 nan 8.240 nan 0.000 0.520 178 P HA 0.022 nan 4.420 nan 0.000 0.226 178 P C 0.987 178.256 177.300 -0.051 0.000 1.146 178 P CA 1.118 64.274 63.100 0.093 0.000 0.773 178 P CB -0.196 31.658 31.700 0.258 0.000 0.772 179 T N -6.716 107.768 114.554 -0.118 0.000 3.145 179 T HA 0.154 4.504 4.350 0.000 0.000 0.281 179 T C 0.542 175.046 174.700 -0.327 0.000 1.003 179 T CA -0.323 61.672 62.100 -0.175 0.000 0.901 179 T CB -0.784 67.990 68.868 -0.156 0.000 1.112 179 T HN 0.056 nan 8.240 nan 0.000 0.535 180 T N 0.678 115.080 114.554 -0.254 0.000 2.902 180 T HA 0.707 5.057 4.350 0.000 0.000 0.280 180 T C -0.282 174.351 174.700 -0.112 0.000 0.992 180 T CA -0.951 61.026 62.100 -0.204 0.000 1.015 180 T CB 1.214 70.012 68.868 -0.117 0.000 1.044 180 T HN 0.236 nan 8.240 nan 0.000 0.520 181 L N 2.441 123.676 121.223 0.020 0.000 2.377 181 L HA 0.410 4.750 4.340 0.000 0.000 0.270 181 L C -2.376 174.485 176.870 -0.015 0.000 0.991 181 L CA -2.340 52.483 54.840 -0.028 0.000 0.851 181 L CB 2.213 44.243 42.059 -0.049 0.000 1.218 181 L HN 0.556 nan 8.230 nan 0.000 0.420 182 P HA 0.269 nan 4.420 nan 0.000 0.274 182 P C -2.641 174.581 177.300 -0.130 0.000 1.231 182 P CA -1.541 61.464 63.100 -0.160 0.000 0.790 182 P CB 0.015 31.435 31.700 -0.466 0.000 0.951 183 P HA 0.362 nan 4.420 nan 0.000 0.276 183 P C -0.087 177.099 177.300 -0.190 0.000 1.261 183 P CA 0.175 63.002 63.100 -0.455 0.000 0.800 183 P CB 0.808 31.719 31.700 -1.315 0.000 1.066 184 G N -0.849 107.865 108.800 -0.143 0.000 2.606 184 G HA2 0.646 4.606 3.960 0.000 0.000 0.300 184 G HA3 0.646 4.606 3.960 0.000 0.000 0.300 184 G C -1.405 173.606 174.900 0.185 0.000 1.360 184 G CA -0.525 44.634 45.100 0.099 0.000 0.783 184 G HN 0.705 nan 8.290 nan 0.000 0.484 185 T N -2.011 112.667 114.554 0.207 0.000 2.906 185 T HA 0.725 5.075 4.350 0.000 0.000 0.295 185 T C -0.897 173.847 174.700 0.074 0.000 1.075 185 T CA -0.778 61.425 62.100 0.171 0.000 1.005 185 T CB 1.944 70.955 68.868 0.238 0.000 1.136 185 T HN 0.436 nan 8.240 nan 0.000 0.498 186 I N 1.971 122.571 120.570 0.050 0.000 2.378 186 I HA 0.394 4.564 4.170 0.000 0.000 0.291 186 I C -0.088 176.044 176.117 0.026 0.000 0.992 186 I CA -0.464 60.842 61.300 0.009 0.000 1.154 186 I CB 1.565 39.528 38.000 -0.062 0.000 1.315 186 I HN 0.811 nan 8.210 nan 0.000 0.448 187 Q N 5.774 125.577 119.800 0.004 0.000 2.341 187 Q HA 0.356 4.696 4.340 0.000 0.000 0.268 187 Q C -1.598 174.400 176.000 -0.005 0.000 1.013 187 Q CA -0.713 55.111 55.803 0.035 0.000 0.798 187 Q CB 1.777 30.531 28.738 0.027 0.000 1.253 187 Q HN 0.422 nan 8.270 nan 0.000 0.457 188 Y N 2.848 123.183 120.300 0.058 0.000 2.335 188 Y HA 0.242 4.792 4.550 0.000 0.000 0.331 188 Y C -0.069 175.863 175.900 0.053 0.000 1.094 188 Y CA -0.016 58.137 58.100 0.089 0.000 1.253 188 Y CB 0.741 39.236 38.460 0.058 0.000 1.203 188 Y HN 0.448 nan 8.280 nan 0.000 0.508 189 L N 3.560 124.883 121.223 0.167 0.000 2.294 189 L HA 0.319 4.659 4.340 0.000 0.000 0.283 189 L C 0.530 177.483 176.870 0.137 0.000 1.015 189 L CA -0.363 54.487 54.840 0.018 0.000 0.831 189 L CB 1.386 43.168 42.059 -0.462 0.000 1.217 189 L HN 0.754 nan 8.230 nan 0.000 0.420 190 T N -3.359 111.289 114.554 0.156 0.000 3.176 190 T HA 0.075 4.425 4.350 0.000 0.000 0.263 190 T C 0.277 175.070 174.700 0.155 0.000 1.021 190 T CA -0.489 61.709 62.100 0.164 0.000 0.905 190 T CB -0.145 68.798 68.868 0.125 0.000 1.057 190 T HN 0.324 nan 8.240 nan 0.000 0.558 191 D N 3.091 123.609 120.400 0.198 0.000 2.359 191 D HA 0.086 4.726 4.640 0.000 0.000 0.250 191 D C 1.480 177.877 176.300 0.162 0.000 1.264 191 D CA 0.100 54.202 54.000 0.169 0.000 0.911 191 D CB 1.389 42.298 40.800 0.182 0.000 1.056 191 D HN 0.400 nan 8.370 nan 0.000 0.499 192 T N -0.362 114.255 114.554 0.104 0.000 3.118 192 T HA -0.110 4.240 4.350 0.000 0.000 0.260 192 T C 1.647 176.363 174.700 0.027 0.000 1.139 192 T CA 0.757 62.905 62.100 0.081 0.000 1.085 192 T CB -0.120 68.790 68.868 0.071 0.000 0.934 192 T HN 0.254 nan 8.240 nan 0.000 0.518 193 S N 0.736 116.439 115.700 0.005 0.000 2.501 193 S HA 0.201 4.671 4.470 0.000 0.000 0.220 193 S C 1.736 176.268 174.600 -0.113 0.000 0.997 193 S CA -0.178 57.999 58.200 -0.038 0.000 0.919 193 S CB -0.122 63.061 63.200 -0.027 0.000 0.778 193 S HN 0.527 nan 8.310 nan 0.000 0.523 194 K N -0.759 119.533 120.400 -0.180 0.000 2.425 194 K HA 0.303 4.623 4.320 0.000 0.000 0.201 194 K C -0.977 175.157 176.600 -0.778 0.000 1.128 194 K CA 0.152 56.153 56.287 -0.477 0.000 1.000 194 K CB 0.768 32.916 32.500 -0.587 0.000 0.961 194 K HN 0.395 nan 8.250 nan 0.000 0.555 195 Y N 1.139 121.354 120.300 -0.141 0.000 2.492 195 Y HA 0.290 4.840 4.550 0.000 0.000 0.346 195 Y C -2.438 173.421 175.900 -0.068 0.000 0.997 195 Y CA -2.641 55.317 58.100 -0.237 0.000 1.025 195 Y CB 1.537 39.798 38.460 -0.331 0.000 1.263 195 Y HN -0.089 nan 8.280 nan 0.000 0.454 196 P HA 0.051 nan 4.420 nan 0.000 0.274 196 P C -0.884 176.545 177.300 0.215 0.000 1.237 196 P CA -0.601 62.591 63.100 0.154 0.000 0.793 196 P CB 1.087 32.881 31.700 0.157 0.000 0.977 197 K N 0.652 121.155 120.400 0.171 0.000 2.453 197 K HA 0.178 4.498 4.320 0.000 0.000 0.280 197 K C 1.089 177.829 176.600 0.233 0.000 1.045 197 K CA 1.136 57.532 56.287 0.180 0.000 1.059 197 K CB -0.912 31.668 32.500 0.133 0.000 0.901 197 K HN 0.813 nan 8.250 nan 0.000 0.475 198 G N 3.239 112.211 108.800 0.286 0.000 2.175 198 G HA2 -0.316 3.644 3.960 0.000 0.000 0.244 198 G HA3 -0.316 3.644 3.960 0.000 0.000 0.244 198 G C -0.237 174.925 174.900 0.437 0.000 0.982 198 G CA 0.114 45.437 45.100 0.373 0.000 0.641 198 G HN 0.733 nan 8.290 nan 0.000 0.527 199 Y N 1.157 121.589 120.300 0.219 0.000 2.717 199 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 199 Y C 0.587 176.509 175.900 0.036 0.000 1.217 199 Y CA 0.762 58.909 58.100 0.078 0.000 1.506 199 Y CB -0.017 38.476 38.460 0.056 0.000 1.268 199 Y HN 0.578 nan 8.280 nan 0.000 0.561 200 F N 4.886 124.414 119.950 -0.704 0.000 2.662 200 F HA 0.739 5.266 4.527 0.000 0.000 0.312 200 F C -1.776 173.545 175.800 -0.799 0.000 1.113 200 F CA -1.301 56.219 58.000 -0.800 0.000 0.951 200 F CB 0.621 38.858 39.000 -1.273 0.000 1.344 200 F HN 0.343 nan 8.300 nan 0.000 0.462 201 V N -0.337 119.332 119.914 -0.407 0.000 3.040 201 V HA 0.693 4.813 4.120 0.000 0.000 0.312 201 V C -1.262 174.770 176.094 -0.104 0.000 1.115 201 V CA -0.925 61.163 62.300 -0.353 0.000 0.998 201 V CB 1.628 33.291 31.823 -0.266 0.000 1.042 201 V HN 1.107 nan 8.190 nan 0.000 0.433 202 Q N 2.741 122.472 119.800 -0.116 0.000 2.331 202 Q HA 0.443 4.783 4.340 0.000 0.000 0.257 202 Q C -0.724 175.202 176.000 -0.124 0.000 0.957 202 Q CA 0.076 55.835 55.803 -0.073 0.000 0.923 202 Q CB 0.807 29.497 28.738 -0.079 0.000 1.212 202 Q HN 0.849 nan 8.270 nan 0.000 0.443 203 N N 2.703 121.338 118.700 -0.109 0.000 2.479 203 N HA 0.418 5.158 4.740 0.000 0.000 0.285 203 N C -0.831 174.498 175.510 -0.302 0.000 1.075 203 N CA -0.078 52.843 53.050 -0.215 0.000 0.967 203 N CB 1.635 40.040 38.487 -0.137 0.000 1.137 203 N HN 0.773 nan 8.380 nan 0.000 0.472 204 T N -1.706 112.505 114.554 -0.571 0.000 2.883 204 T HA 0.524 4.874 4.350 0.000 0.000 0.296 204 T C -0.647 173.503 174.700 -0.916 0.000 1.117 204 T CA -0.573 61.144 62.100 -0.639 0.000 1.006 204 T CB 0.973 69.254 68.868 -0.977 0.000 1.191 204 T HN 0.393 nan 8.240 nan 0.000 0.508 205 Y N 0.767 120.964 120.300 -0.172 0.000 2.698 205 Y HA 0.467 5.017 4.550 0.000 0.000 0.261 205 Y C -0.418 175.508 175.900 0.043 0.000 1.104 205 Y CA -1.370 56.720 58.100 -0.016 0.000 1.145 205 Y CB 0.191 38.741 38.460 0.150 0.000 1.191 205 Y HN 0.717 nan 8.280 nan 0.000 0.564 206 F N -2.473 117.474 119.950 -0.005 0.000 2.563 206 F HA 0.619 5.147 4.527 0.000 0.000 0.316 206 F C -0.311 175.451 175.800 -0.063 0.000 1.076 206 F CA -1.775 56.197 58.000 -0.047 0.000 0.921 206 F CB 1.320 40.215 39.000 -0.175 0.000 1.209 206 F HN -0.202 nan 8.300 nan 0.000 0.462 207 D N 2.866 123.478 120.400 0.352 0.000 3.110 207 D HA 0.282 4.922 4.640 0.000 0.000 0.254 207 D C -1.274 175.488 176.300 0.770 0.000 1.283 207 D CA -0.068 54.171 54.000 0.398 0.000 0.944 207 D CB -0.430 40.601 40.800 0.385 0.000 1.066 207 D HN 0.480 nan 8.370 nan 0.000 0.496 208 F N -1.452 118.859 119.950 0.602 0.000 2.678 208 F HA 0.458 4.985 4.527 0.000 0.000 0.308 208 F C -1.431 174.668 175.800 0.497 0.000 1.118 208 F CA -1.839 56.508 58.000 0.580 0.000 0.959 208 F CB 0.545 39.773 39.000 0.381 0.000 1.305 208 F HN -0.189 nan 8.300 nan 0.000 0.443 209 F N 2.904 123.098 119.950 0.408 0.000 2.456 209 F HA 0.315 4.842 4.527 0.000 0.000 0.358 209 F C 0.857 176.787 175.800 0.216 0.000 1.095 209 F CA -0.367 57.695 58.000 0.104 0.000 1.216 209 F CB 0.698 39.578 39.000 -0.200 0.000 1.125 209 F HN 0.697 nan 8.300 nan 0.000 0.549 210 N N 5.464 123.793 118.700 -0.618 0.000 3.210 210 N HA -0.022 4.718 4.740 0.000 0.000 0.314 210 N C -0.995 174.286 175.510 -0.382 0.000 1.291 210 N CA 0.034 52.937 53.050 -0.244 0.000 1.202 210 N CB -0.889 37.519 38.487 -0.131 0.000 1.475 210 N HN 0.420 nan 8.380 nan 0.000 0.554 211 Y N 0.517 120.743 120.300 -0.123 0.000 2.757 211 Y HA 0.192 4.742 4.550 0.000 0.000 0.344 211 Y C 1.060 176.935 175.900 -0.042 0.000 1.263 211 Y CA 0.478 58.560 58.100 -0.030 0.000 1.493 211 Y CB 0.456 38.991 38.460 0.124 0.000 1.342 211 Y HN 0.351 nan 8.280 nan 0.000 0.627 212 A N 0.685 123.453 122.820 -0.087 0.000 2.569 212 A HA 0.921 5.241 4.320 0.000 0.000 0.290 212 A C -0.059 177.513 177.584 -0.020 0.000 1.136 212 A CA -0.041 51.987 52.037 -0.014 0.000 0.710 212 A CB 1.621 20.588 19.000 -0.055 0.000 1.303 212 A HN 1.375 nan 8.150 nan 0.000 0.413 213 G N -1.375 107.634 108.800 0.348 0.000 2.325 213 G HA2 0.371 4.331 3.960 0.000 0.000 0.285 213 G HA3 0.371 4.331 3.960 0.000 0.000 0.285 213 G C -1.451 173.507 174.900 0.096 0.000 1.303 213 G CA -0.596 44.814 45.100 0.517 0.000 0.970 213 G HN 1.125 nan 8.290 nan 0.000 0.490 214 L N 1.391 122.491 121.223 -0.206 0.000 2.358 214 L HA 0.329 4.669 4.340 0.000 0.000 0.274 214 L C 1.472 178.229 176.870 -0.188 0.000 1.136 214 L CA -0.148 54.475 54.840 -0.361 0.000 0.970 214 L CB 0.888 42.478 42.059 -0.781 0.000 1.314 214 L HN 0.650 nan 8.230 nan 0.000 0.427 215 Q N 1.610 121.347 119.800 -0.104 0.000 2.425 215 Q HA 0.166 4.506 4.340 0.000 0.000 0.204 215 Q C 0.113 176.087 176.000 -0.042 0.000 0.933 215 Q CA 0.469 56.237 55.803 -0.058 0.000 0.939 215 Q CB 0.540 29.250 28.738 -0.045 0.000 1.044 215 Q HN 0.535 nan 8.270 nan 0.000 0.513 216 R N -0.412 120.037 120.500 -0.084 0.000 2.867 216 R HA 0.426 4.766 4.340 0.000 0.000 0.268 216 R C -0.684 175.546 176.300 -0.117 0.000 1.014 216 R CA -0.662 55.381 56.100 -0.094 0.000 0.946 216 R CB 1.812 32.047 30.300 -0.109 0.000 1.208 216 R HN -0.071 nan 8.270 nan 0.000 0.477 217 S N 0.801 116.426 115.700 -0.124 0.000 2.552 217 S HA 0.080 4.551 4.470 0.000 0.000 0.289 217 S C -0.066 174.495 174.600 -0.065 0.000 1.304 217 S CA -0.304 57.859 58.200 -0.061 0.000 1.063 217 S CB 0.537 63.701 63.200 -0.059 0.000 0.848 217 S HN 0.211 nan 8.310 nan 0.000 0.499 218 V N 5.166 125.078 119.914 -0.003 0.000 2.459 218 V HA 0.669 4.789 4.120 0.000 0.000 0.295 218 V C -0.031 176.134 176.094 0.118 0.000 1.029 218 V CA -0.639 61.678 62.300 0.029 0.000 0.874 218 V CB 0.847 32.717 31.823 0.078 0.000 0.985 218 V HN 0.787 nan 8.190 nan 0.000 0.438 219 L N 3.238 124.517 121.223 0.093 0.000 2.479 219 L HA 0.810 5.150 4.340 0.000 0.000 0.255 219 L C -1.535 175.426 176.870 0.151 0.000 1.026 219 L CA -1.003 53.918 54.840 0.135 0.000 0.842 219 L CB 2.289 44.411 42.059 0.104 0.000 1.444 219 L HN 0.370 nan 8.230 nan 0.000 0.409 220 L N 1.836 123.174 121.223 0.192 0.000 2.325 220 L HA 0.664 5.004 4.340 0.000 0.000 0.278 220 L C -0.907 176.083 176.870 0.201 0.000 1.023 220 L CA -0.658 54.284 54.840 0.170 0.000 0.811 220 L CB 1.624 43.864 42.059 0.302 0.000 1.249 220 L HN 0.755 nan 8.230 nan 0.000 0.431 221 Y N 0.051 120.280 120.300 -0.118 0.000 2.615 221 Y HA 0.827 5.377 4.550 0.000 0.000 0.341 221 Y C -0.583 175.078 175.900 -0.398 0.000 1.089 221 Y CA -1.088 56.892 58.100 -0.201 0.000 1.049 221 Y CB 1.673 40.051 38.460 -0.136 0.000 1.296 221 Y HN 0.537 nan 8.280 nan 0.000 0.470 222 T N -0.542 113.844 114.554 -0.280 0.000 2.908 222 T HA 0.803 5.153 4.350 0.000 0.000 0.290 222 T C -0.461 174.141 174.700 -0.164 0.000 1.034 222 T CA -0.135 61.696 62.100 -0.448 0.000 1.010 222 T CB 1.652 70.121 68.868 -0.666 0.000 1.068 222 T HN 1.273 nan 8.240 nan 0.000 0.481 223 T N -1.039 113.380 114.554 -0.225 0.000 2.838 223 T HA 0.786 5.136 4.350 0.000 0.000 0.292 223 T C -3.147 171.492 174.700 -0.101 0.000 1.113 223 T CA -2.073 59.965 62.100 -0.104 0.000 1.008 223 T CB 1.175 69.965 68.868 -0.130 0.000 1.259 223 T HN 0.459 nan 8.240 nan 0.000 0.520 224 P HA 0.187 nan 4.420 nan 0.000 0.273 224 P C 1.278 178.614 177.300 0.060 0.000 1.250 224 P CA -0.200 62.912 63.100 0.021 0.000 0.793 224 P CB 0.202 31.933 31.700 0.053 0.000 1.011 225 T N -3.846 110.744 114.554 0.061 0.000 3.035 225 T HA -0.005 4.345 4.350 0.000 0.000 0.268 225 T C 0.520 175.349 174.700 0.214 0.000 1.109 225 T CA 0.977 63.142 62.100 0.108 0.000 1.119 225 T CB -0.844 68.054 68.868 0.051 0.000 0.900 225 T HN 0.297 nan 8.240 nan 0.000 0.503 226 T N 2.628 117.268 114.554 0.142 0.000 2.770 226 T HA 0.607 4.957 4.350 0.000 0.000 0.283 226 T C -1.262 173.455 174.700 0.029 0.000 0.988 226 T CA -0.751 61.356 62.100 0.012 0.000 0.957 226 T CB 0.772 69.609 68.868 -0.051 0.000 0.930 226 T HN 0.540 nan 8.240 nan 0.000 0.443 227 Y N 0.243 120.460 120.300 -0.138 0.000 2.625 227 Y HA 0.696 5.246 4.550 0.000 0.000 0.338 227 Y C -1.002 174.798 175.900 -0.167 0.000 1.123 227 Y CA -1.929 56.096 58.100 -0.125 0.000 1.046 227 Y CB 0.602 39.020 38.460 -0.070 0.000 1.299 227 Y HN 0.450 nan 8.280 nan 0.000 0.464 228 I N 2.382 122.947 120.570 -0.008 0.000 2.494 228 I HA 0.047 4.217 4.170 0.000 0.000 0.289 228 I C 0.132 176.246 176.117 -0.005 0.000 1.106 228 I CA 0.663 61.904 61.300 -0.098 0.000 1.369 228 I CB 0.536 38.490 38.000 -0.075 0.000 1.410 228 I HN 0.824 nan 8.210 nan 0.000 0.523 229 D N 3.709 124.051 120.400 -0.097 0.000 2.277 229 D HA -0.014 4.626 4.640 0.000 0.000 0.209 229 D C 0.040 176.304 176.300 -0.059 0.000 0.970 229 D CA 0.791 54.799 54.000 0.014 0.000 0.874 229 D CB 0.536 41.300 40.800 -0.059 0.000 0.982 229 D HN 0.500 nan 8.370 nan 0.000 0.504 230 D N -0.835 119.497 120.400 -0.115 0.000 2.717 230 D HA 0.365 5.005 4.640 0.000 0.000 0.223 230 D C -1.423 174.808 176.300 -0.116 0.000 1.240 230 D CA -0.514 53.419 54.000 -0.112 0.000 0.801 230 D CB 1.543 42.302 40.800 -0.068 0.000 1.556 230 D HN -0.000 nan 8.370 nan 0.000 0.462 231 I N 1.248 121.750 120.570 -0.113 0.000 2.619 231 I HA 0.395 4.565 4.170 0.000 0.000 0.292 231 I C -0.534 175.562 176.117 -0.034 0.000 1.100 231 I CA -0.529 60.733 61.300 -0.063 0.000 1.043 231 I CB 2.597 40.554 38.000 -0.072 0.000 1.239 231 I HN 0.130 nan 8.210 nan 0.000 0.420 232 T N 4.844 119.398 114.554 0.000 0.000 2.881 232 T HA 0.559 4.909 4.350 0.000 0.000 0.291 232 T C -0.681 174.033 174.700 0.024 0.000 0.990 232 T CA -0.472 61.627 62.100 -0.000 0.000 0.976 232 T CB 1.970 70.832 68.868 -0.010 0.000 0.970 232 T HN 0.174 nan 8.240 nan 0.000 0.438 233 V N 3.774 123.695 119.914 0.011 0.000 2.604 233 V HA 0.797 4.917 4.120 0.000 0.000 0.305 233 V C 0.176 176.262 176.094 -0.013 0.000 1.043 233 V CA -0.766 61.544 62.300 0.018 0.000 0.888 233 V CB 2.142 33.974 31.823 0.016 0.000 0.995 233 V HN 1.089 nan 8.190 nan 0.000 0.429 234 T N 0.098 114.641 114.554 -0.019 0.000 2.907 234 T HA 0.803 5.153 4.350 0.000 0.000 0.292 234 T C -0.421 174.251 174.700 -0.048 0.000 1.043 234 T CA -0.620 61.456 62.100 -0.040 0.000 1.003 234 T CB 1.980 70.825 68.868 -0.038 0.000 1.084 234 T HN 0.810 nan 8.240 nan 0.000 0.483 235 T N -0.836 113.678 114.554 -0.067 0.000 2.876 235 T HA 0.809 5.159 4.350 0.000 0.000 0.289 235 T C -0.179 174.474 174.700 -0.079 0.000 1.014 235 T CA -0.568 61.488 62.100 -0.073 0.000 0.986 235 T CB 1.503 70.320 68.868 -0.084 0.000 1.021 235 T HN 1.260 nan 8.240 nan 0.000 0.458 236 S N 1.003 116.660 115.700 -0.073 0.000 2.720 236 S HA 0.843 5.313 4.470 0.000 0.000 0.287 236 S C -1.238 173.321 174.600 -0.069 0.000 1.168 236 S CA -0.842 57.316 58.200 -0.071 0.000 0.832 236 S CB 1.703 64.868 63.200 -0.058 0.000 1.166 236 S HN 1.241 nan 8.310 nan 0.000 0.493 237 V N 0.637 120.515 119.914 -0.060 0.000 2.656 237 V HA 0.673 4.793 4.120 0.000 0.000 0.307 237 V C -1.585 174.488 176.094 -0.035 0.000 1.051 237 V CA -0.411 61.858 62.300 -0.051 0.000 0.893 237 V CB 1.810 33.602 31.823 -0.052 0.000 0.999 237 V HN 0.970 nan 8.190 nan 0.000 0.426 238 E N 4.768 124.951 120.200 -0.029 0.000 2.182 238 E HA 0.461 4.811 4.350 0.000 0.000 0.258 238 E C -0.008 176.585 176.600 -0.010 0.000 0.879 238 E CA -0.307 56.081 56.400 -0.019 0.000 0.754 238 E CB 1.897 31.584 29.700 -0.021 0.000 1.162 238 E HN 0.813 nan 8.360 nan 0.000 0.419 239 Q N 1.226 121.025 119.800 -0.003 0.000 2.224 239 Q HA -0.282 4.058 4.340 0.000 0.000 0.415 239 Q C 0.542 176.548 176.000 0.009 0.000 0.619 239 Q CA 2.501 58.308 55.803 0.006 0.000 0.957 239 Q CB -0.849 27.892 28.738 0.006 0.000 2.552 239 Q HN 0.765 nan 8.270 nan 0.000 0.903 240 D N -0.561 119.845 120.400 0.010 0.000 2.424 240 D HA 0.255 4.895 4.640 0.000 0.000 0.220 240 D C -0.325 175.975 176.300 -0.001 0.000 1.150 240 D CA 0.446 54.454 54.000 0.013 0.000 0.831 240 D CB 0.243 41.056 40.800 0.022 0.000 0.981 240 D HN 0.177 nan 8.370 nan 0.000 0.500 241 S N -0.417 115.276 115.700 -0.012 0.000 2.541 241 S HA 0.620 5.090 4.470 0.000 0.000 0.283 241 S C 0.239 174.814 174.600 -0.043 0.000 1.196 241 S CA -0.535 57.650 58.200 -0.025 0.000 1.062 241 S CB 1.191 64.376 63.200 -0.023 0.000 1.009 241 S HN 0.291 nan 8.310 nan 0.000 0.502 242 G N 3.223 111.984 108.800 -0.066 0.000 2.348 242 G HA2 0.602 4.562 3.960 0.000 0.000 0.312 242 G HA3 0.602 4.562 3.960 0.000 0.000 0.312 242 G C -1.165 173.681 174.900 -0.091 0.000 1.126 242 G CA -0.606 44.438 45.100 -0.094 0.000 0.865 242 G HN 0.714 nan 8.290 nan 0.000 0.474 243 L N 2.380 123.556 121.223 -0.079 0.000 2.319 243 L HA 0.389 4.729 4.340 0.000 0.000 0.281 243 L C -0.621 176.213 176.870 -0.061 0.000 1.005 243 L CA -0.987 53.816 54.840 -0.063 0.000 0.828 243 L CB 2.226 44.253 42.059 -0.052 0.000 1.227 243 L HN 0.170 nan 8.230 nan 0.000 0.415 244 V N 2.490 122.379 119.914 -0.041 0.000 2.293 244 V HA 0.267 4.387 4.120 0.000 0.000 0.275 244 V C -0.185 175.933 176.094 0.041 0.000 1.021 244 V CA -0.739 61.555 62.300 -0.009 0.000 0.815 244 V CB 1.101 32.917 31.823 -0.012 0.000 1.025 244 V HN 0.639 nan 8.190 nan 0.000 0.448 245 N N 4.363 123.061 118.700 -0.004 0.000 2.458 245 N HA 0.473 5.213 4.740 0.000 0.000 0.270 245 N C -0.703 174.815 175.510 0.013 0.000 1.102 245 N CA -0.174 52.843 53.050 -0.054 0.000 0.967 245 N CB 0.680 39.119 38.487 -0.080 0.000 1.078 245 N HN 0.738 nan 8.380 nan 0.000 0.471 246 Y N -0.727 119.555 120.300 -0.030 0.000 2.524 246 Y HA 0.642 5.193 4.550 0.000 0.000 0.344 246 Y C -0.539 175.347 175.900 -0.023 0.000 1.012 246 Y CA -1.186 56.898 58.100 -0.026 0.000 1.068 246 Y CB 1.374 39.823 38.460 -0.018 0.000 1.249 246 Y HN 0.386 nan 8.280 nan 0.000 0.468 247 Q N 3.335 123.212 119.800 0.128 0.000 2.271 247 Q HA 0.646 4.986 4.340 0.000 0.000 0.268 247 Q C -2.155 173.901 176.000 0.093 0.000 1.021 247 Q CA -0.613 55.230 55.803 0.066 0.000 0.802 247 Q CB 2.034 30.767 28.738 -0.008 0.000 1.282 247 Q HN 0.934 nan 8.270 nan 0.000 0.431 248 I N 1.869 122.499 120.570 0.100 0.000 2.509 248 I HA 0.426 4.596 4.170 0.000 0.000 0.293 248 I C -0.551 175.561 176.117 -0.007 0.000 1.020 248 I CA -0.751 60.574 61.300 0.040 0.000 1.088 248 I CB 2.298 40.331 38.000 0.056 0.000 1.267 248 I HN 0.485 nan 8.210 nan 0.000 0.430 249 S N 5.166 120.826 115.700 -0.067 0.000 2.473 249 S HA 0.737 5.207 4.470 0.000 0.000 0.307 249 S C -0.975 173.501 174.600 -0.208 0.000 1.094 249 S CA -0.471 57.670 58.200 -0.099 0.000 1.070 249 S CB 1.312 64.463 63.200 -0.082 0.000 1.019 249 S HN 0.325 nan 8.310 nan 0.000 0.480 250 V N 5.496 125.236 119.914 -0.290 0.000 2.555 250 V HA 0.572 4.692 4.120 0.000 0.000 0.302 250 V C -0.150 175.670 176.094 -0.457 0.000 1.038 250 V CA -0.766 61.227 62.300 -0.511 0.000 0.887 250 V CB 1.885 33.127 31.823 -0.968 0.000 0.991 250 V HN 0.849 nan 8.190 nan 0.000 0.434 251 K N 1.921 121.916 120.400 -0.676 0.000 2.267 251 K HA 0.809 5.129 4.320 0.000 0.000 0.246 251 K C 0.526 176.795 176.600 -0.552 0.000 0.954 251 K CA 0.197 56.123 56.287 -0.600 0.000 0.824 251 K CB 2.109 34.184 32.500 -0.707 0.000 1.167 251 K HN 1.012 nan 8.250 nan 0.000 0.431 252 G N 0.889 109.545 108.800 -0.240 0.000 2.709 252 G HA2 -0.260 3.700 3.960 0.000 0.000 0.228 252 G HA3 -0.260 3.700 3.960 0.000 0.000 0.228 252 G C -0.399 174.477 174.900 -0.041 0.000 1.215 252 G CA -0.126 44.916 45.100 -0.098 0.000 1.003 252 G HN 0.574 nan 8.290 nan 0.000 0.584 253 S N 1.391 117.087 115.700 -0.006 0.000 2.549 253 S HA 0.381 4.851 4.470 0.000 0.000 0.279 253 S C 1.386 176.090 174.600 0.173 0.000 1.321 253 S CA 0.760 58.999 58.200 0.065 0.000 1.054 253 S CB 0.474 63.720 63.200 0.076 0.000 0.899 253 S HN 1.336 nan 8.310 nan 0.000 0.497 254 N N 3.892 122.685 118.700 0.154 0.000 2.313 254 N HA 0.101 4.842 4.740 0.000 0.000 0.207 254 N C -0.540 174.981 175.510 0.018 0.000 1.141 254 N CA -0.209 52.955 53.050 0.191 0.000 0.830 254 N CB -0.146 38.387 38.487 0.077 0.000 1.008 254 N HN 0.384 nan 8.380 nan 0.000 0.481 255 L N 1.370 122.641 121.223 0.079 0.000 2.313 255 L HA 0.595 4.935 4.340 0.000 0.000 0.273 255 L C -1.368 175.547 176.870 0.074 0.000 1.028 255 L CA -1.119 53.699 54.840 -0.038 0.000 0.871 255 L CB -0.455 41.599 42.059 -0.009 0.000 1.242 255 L HN 0.220 nan 8.230 nan 0.000 0.434 256 F N 2.248 122.176 119.950 -0.036 0.000 2.741 256 F HA 0.773 5.300 4.527 0.000 0.000 0.313 256 F C -1.364 174.414 175.800 -0.037 0.000 1.153 256 F CA -1.235 56.740 58.000 -0.041 0.000 0.931 256 F CB 1.157 40.124 39.000 -0.054 0.000 1.335 256 F HN 0.325 nan 8.300 nan 0.000 0.460 257 K N 1.279 121.821 120.400 0.236 0.000 2.435 257 K HA 0.841 5.162 4.320 0.000 0.000 0.251 257 K C -2.182 174.539 176.600 0.203 0.000 0.954 257 K CA -0.867 55.511 56.287 0.152 0.000 0.820 257 K CB 2.850 35.376 32.500 0.044 0.000 1.292 257 K HN 0.841 nan 8.250 nan 0.000 0.436 258 L N 1.989 123.307 121.223 0.159 0.000 2.341 258 L HA 0.420 4.760 4.340 0.000 0.000 0.278 258 L C -0.847 176.041 176.870 0.030 0.000 1.005 258 L CA -0.662 54.226 54.840 0.081 0.000 0.818 258 L CB 2.095 44.220 42.059 0.110 0.000 1.259 258 L HN 0.736 nan 8.230 nan 0.000 0.418 259 E N 2.682 122.870 120.200 -0.020 0.000 2.187 259 E HA 0.592 4.942 4.350 0.000 0.000 0.268 259 E C -1.342 175.214 176.600 -0.074 0.000 0.896 259 E CA -0.688 55.695 56.400 -0.028 0.000 0.766 259 E CB 2.947 32.638 29.700 -0.015 0.000 1.142 259 E HN 0.164 nan 8.360 nan 0.000 0.408 260 V N 3.386 123.231 119.914 -0.115 0.000 2.588 260 V HA 0.468 4.588 4.120 0.000 0.000 0.304 260 V C -0.261 175.755 176.094 -0.129 0.000 1.042 260 V CA -0.844 61.334 62.300 -0.202 0.000 0.877 260 V CB 1.645 33.150 31.823 -0.530 0.000 0.996 260 V HN 0.599 nan 8.190 nan 0.000 0.425 261 R N 3.308 123.762 120.500 -0.077 0.000 2.740 261 R HA 0.693 5.033 4.340 0.000 0.000 0.282 261 R C -1.534 174.756 176.300 -0.016 0.000 0.969 261 R CA -0.983 55.100 56.100 -0.027 0.000 0.918 261 R CB 2.621 32.930 30.300 0.015 0.000 1.175 261 R HN 0.501 nan 8.270 nan 0.000 0.464 262 L N 3.678 124.905 121.223 0.008 0.000 2.298 262 L HA 0.434 4.774 4.340 0.000 0.000 0.284 262 L C -1.271 175.668 176.870 0.115 0.000 1.013 262 L CA -0.312 54.554 54.840 0.045 0.000 0.824 262 L CB 1.198 43.252 42.059 -0.009 0.000 1.221 262 L HN 0.465 nan 8.230 nan 0.000 0.418 263 L N 4.051 125.369 121.223 0.158 0.000 2.322 263 L HA 0.503 4.843 4.340 0.000 0.000 0.279 263 L C -0.071 176.968 176.870 0.281 0.000 1.036 263 L CA -0.996 53.944 54.840 0.168 0.000 0.807 263 L CB 1.345 43.458 42.059 0.090 0.000 1.226 263 L HN 0.630 nan 8.230 nan 0.000 0.433 264 D N 2.047 122.594 120.400 0.245 0.000 2.414 264 D HA 0.140 4.780 4.640 0.000 0.000 0.259 264 D C 1.076 177.339 176.300 -0.062 0.000 1.269 264 D CA -0.041 54.040 54.000 0.135 0.000 1.028 264 D CB 0.753 41.669 40.800 0.192 0.000 1.093 264 D HN 0.511 nan 8.370 nan 0.000 0.545 265 A N -0.456 122.242 122.820 -0.204 0.000 1.978 265 A HA -0.203 4.117 4.320 0.000 0.000 0.220 265 A C 1.704 179.204 177.584 -0.140 0.000 1.170 265 A CA 1.429 53.270 52.037 -0.327 0.000 0.636 265 A CB -0.733 17.956 19.000 -0.518 0.000 0.810 265 A HN 0.676 nan 8.150 nan 0.000 0.448 266 E N -0.260 119.909 120.200 -0.053 0.000 2.368 266 E HA 0.050 4.400 4.350 0.000 0.000 0.188 266 E C -0.507 176.088 176.600 -0.008 0.000 1.061 266 E CA -0.284 56.100 56.400 -0.025 0.000 0.933 266 E CB -0.006 29.694 29.700 -0.001 0.000 1.091 266 E HN 0.504 nan 8.360 nan 0.000 0.458 267 N N 1.810 120.507 118.700 -0.005 0.000 2.747 267 N HA -0.193 4.547 4.740 0.000 0.000 0.249 267 N C -0.378 175.152 175.510 0.034 0.000 1.107 267 N CA 0.992 54.050 53.050 0.014 0.000 0.707 267 N CB -1.088 37.397 38.487 -0.004 0.000 1.054 267 N HN 0.300 nan 8.380 nan 0.000 0.555 268 K N 0.645 121.077 120.400 0.053 0.000 2.172 268 K HA 0.359 4.679 4.320 0.000 0.000 0.276 268 K C -0.027 176.624 176.600 0.085 0.000 1.013 268 K CA -0.450 55.873 56.287 0.061 0.000 0.913 268 K CB 1.039 33.578 32.500 0.064 0.000 1.055 268 K HN -0.096 nan 8.250 nan 0.000 0.461 269 V N 5.713 125.668 119.914 0.068 0.000 2.446 269 V HA -0.030 4.090 4.120 0.000 0.000 0.276 269 V C 1.126 177.266 176.094 0.077 0.000 1.030 269 V CA -0.027 62.315 62.300 0.070 0.000 1.033 269 V CB 0.773 32.626 31.823 0.049 0.000 0.993 269 V HN 0.759 nan 8.190 nan 0.000 0.477 270 V N 1.879 121.850 119.914 0.094 0.000 3.643 270 V HA 0.818 4.938 4.120 0.000 0.000 0.280 270 V C 0.518 176.635 176.094 0.039 0.000 1.351 270 V CA 0.605 62.955 62.300 0.083 0.000 1.073 270 V CB -0.033 31.872 31.823 0.138 0.000 0.863 270 V HN 1.033 nan 8.190 nan 0.000 0.436 271 A N 1.405 124.243 122.820 0.030 0.000 2.590 271 A HA 0.695 5.015 4.320 0.000 0.000 0.294 271 A C -1.288 176.305 177.584 0.014 0.000 1.046 271 A CA -0.082 51.963 52.037 0.014 0.000 0.684 271 A CB 1.043 20.037 19.000 -0.010 0.000 1.279 271 A HN 0.718 nan 8.150 nan 0.000 0.415 272 N N 0.225 118.937 118.700 0.019 0.000 2.710 272 N HA 0.747 5.487 4.740 0.000 0.000 0.257 272 N C -0.341 175.190 175.510 0.036 0.000 1.327 272 N CA 0.045 53.102 53.050 0.011 0.000 0.861 272 N CB 1.554 40.048 38.487 0.012 0.000 1.532 272 N HN 1.656 nan 8.380 nan 0.000 0.499 273 G N -0.848 107.969 108.800 0.029 0.000 2.706 273 G HA2 0.742 4.702 3.960 0.000 0.000 0.307 273 G HA3 0.742 4.702 3.960 0.000 0.000 0.307 273 G C -1.359 173.585 174.900 0.074 0.000 1.307 273 G CA -0.057 45.102 45.100 0.098 0.000 0.790 273 G HN 1.060 nan 8.290 nan 0.000 0.503 274 T N -4.025 110.619 114.554 0.151 0.000 2.754 274 T HA 0.829 5.179 4.350 0.000 0.000 0.296 274 T C 0.469 175.282 174.700 0.188 0.000 1.205 274 T CA 0.507 62.677 62.100 0.115 0.000 1.009 274 T CB 1.366 70.275 68.868 0.068 0.000 1.368 274 T HN 2.722 nan 8.240 nan 0.000 0.509 275 G N 0.286 109.173 108.800 0.144 0.000 2.795 275 G HA2 -0.032 3.928 3.960 0.000 0.000 0.664 275 G HA3 -0.032 3.928 3.960 0.000 0.000 0.664 275 G C 0.680 175.712 174.900 0.220 0.000 1.381 275 G CA 0.626 45.814 45.100 0.147 0.000 0.853 275 G HN 2.078 nan 8.290 nan 0.000 0.545 276 T N -2.287 112.374 114.554 0.178 0.000 3.072 276 T HA 0.282 4.632 4.350 0.000 0.000 0.266 276 T C 0.871 175.658 174.700 0.145 0.000 1.127 276 T CA 2.155 64.361 62.100 0.177 0.000 1.107 276 T CB -0.157 68.798 68.868 0.144 0.000 0.910 276 T HN 1.687 nan 8.240 nan 0.000 0.513 277 Q N -1.040 118.798 119.800 0.063 0.000 2.522 277 Q HA 0.642 4.982 4.340 0.000 0.000 0.285 277 Q C -0.811 174.893 176.000 -0.493 0.000 0.982 277 Q CA -1.078 54.599 55.803 -0.209 0.000 0.805 277 Q CB 1.568 30.210 28.738 -0.158 0.000 1.457 277 Q HN 0.257 nan 8.270 nan 0.000 0.394 278 G N 0.479 108.618 108.800 -1.102 0.000 2.428 278 G HA2 0.386 4.346 3.960 0.000 0.000 0.304 278 G HA3 0.386 4.346 3.960 0.000 0.000 0.304 278 G C -2.138 172.324 174.900 -0.730 0.000 1.303 278 G CA -0.591 44.008 45.100 -0.834 0.000 0.825 278 G HN 0.645 nan 8.290 nan 0.000 0.484 279 Q N -0.004 119.621 119.800 -0.291 0.000 2.275 279 Q HA 0.602 4.942 4.340 0.000 0.000 0.266 279 Q C -1.198 174.817 176.000 0.025 0.000 1.002 279 Q CA -0.628 55.106 55.803 -0.115 0.000 0.761 279 Q CB 1.632 30.311 28.738 -0.098 0.000 1.255 279 Q HN 0.523 nan 8.270 nan 0.000 0.446 280 L N 3.063 124.346 121.223 0.099 0.000 2.334 280 L HA 0.538 4.878 4.340 0.000 0.000 0.277 280 L C -0.146 176.726 176.870 0.003 0.000 1.075 280 L CA -0.585 54.301 54.840 0.078 0.000 0.804 280 L CB 1.300 43.413 42.059 0.090 0.000 1.174 280 L HN 0.492 nan 8.230 nan 0.000 0.438 281 K N 2.072 122.466 120.400 -0.009 0.000 2.235 281 K HA 0.526 4.846 4.320 0.000 0.000 0.266 281 K C -1.377 175.194 176.600 -0.049 0.000 0.980 281 K CA -0.566 55.702 56.287 -0.032 0.000 0.849 281 K CB 1.694 34.183 32.500 -0.019 0.000 1.098 281 K HN 0.354 nan 8.250 nan 0.000 0.445 282 V N 6.745 126.611 119.914 -0.081 0.000 2.293 282 V HA 0.283 4.403 4.120 0.000 0.000 0.275 282 V C -2.314 173.746 176.094 -0.056 0.000 1.021 282 V CA -2.153 60.085 62.300 -0.103 0.000 0.815 282 V CB 0.889 32.567 31.823 -0.241 0.000 1.025 282 V HN 0.781 nan 8.190 nan 0.000 0.448 283 P HA 0.218 nan 4.420 nan 0.000 0.271 283 P C 0.886 178.190 177.300 0.006 0.000 1.216 283 P CA 0.699 63.796 63.100 -0.005 0.000 0.776 283 P CB 0.747 32.450 31.700 0.006 0.000 0.881 284 G N 1.995 110.799 108.800 0.006 0.000 2.371 284 G HA2 -0.219 3.741 3.960 0.000 0.000 0.299 284 G HA3 -0.219 3.741 3.960 0.000 0.000 0.299 284 G C 0.220 175.127 174.900 0.013 0.000 1.014 284 G CA -0.026 45.082 45.100 0.013 0.000 1.097 284 G HN 0.624 nan 8.290 nan 0.000 0.512 285 V N 0.169 120.084 119.914 0.001 0.000 2.872 285 V HA 0.455 4.575 4.120 0.000 0.000 0.307 285 V C 0.958 177.046 176.094 -0.010 0.000 1.072 285 V CA 0.669 62.974 62.300 0.007 0.000 1.148 285 V CB 1.275 33.071 31.823 -0.046 0.000 0.954 285 V HN 0.575 nan 8.190 nan 0.000 0.490 286 S N 7.371 123.044 115.700 -0.044 0.000 2.399 286 S HA 0.431 4.901 4.470 0.000 0.000 0.301 286 S C -0.378 174.148 174.600 -0.123 0.000 1.093 286 S CA -0.523 57.505 58.200 -0.288 0.000 1.077 286 S CB 0.568 63.110 63.200 -1.097 0.000 0.980 286 S HN 0.513 nan 8.310 nan 0.000 0.494 287 L N 2.624 123.775 121.223 -0.120 0.000 2.452 287 L HA 0.299 4.639 4.340 0.000 0.000 0.267 287 L C 0.068 176.790 176.870 -0.247 0.000 1.188 287 L CA -0.246 54.449 54.840 -0.241 0.000 0.821 287 L CB -0.017 41.699 42.059 -0.571 0.000 1.102 287 L HN 0.742 nan 8.230 nan 0.000 0.470 288 W N 2.749 123.843 121.300 -0.343 0.000 2.388 288 W HA 0.330 4.990 4.660 0.000 0.000 0.308 288 W C -1.079 175.207 176.519 -0.388 0.000 1.263 288 W CA -0.389 56.832 57.345 -0.206 0.000 1.286 288 W CB 0.404 29.801 29.460 -0.105 0.000 1.294 288 W HN 0.325 nan 8.180 nan 0.000 0.493 289 W N 8.523 129.589 121.300 -0.391 0.000 2.632 289 W HA 0.376 5.036 4.660 0.000 0.000 0.328 289 W C -1.791 174.335 176.519 -0.655 0.000 1.044 289 W CA -2.461 54.690 57.345 -0.324 0.000 1.225 289 W CB 1.088 30.429 29.460 -0.198 0.000 1.396 289 W HN 0.193 nan 8.180 nan 0.000 0.499 290 P HA -0.144 nan 4.420 nan 0.000 0.268 290 P C -0.639 176.665 177.300 0.008 0.000 1.208 290 P CA -0.021 62.997 63.100 -0.136 0.000 0.777 290 P CB 0.294 32.013 31.700 0.033 0.000 0.875 291 Y N 3.906 124.155 120.300 -0.085 0.000 2.810 291 Y HA -0.050 4.500 4.550 0.000 0.000 0.332 291 Y C 1.293 177.188 175.900 -0.009 0.000 1.243 291 Y CA 0.556 58.644 58.100 -0.020 0.000 1.537 291 Y CB -0.521 37.962 38.460 0.039 0.000 1.265 291 Y HN 0.370 nan 8.280 nan 0.000 0.572 292 L N 3.616 124.570 121.223 -0.448 0.000 5.081 292 L HA -0.366 3.975 4.340 0.000 0.000 0.423 292 L C 1.348 178.109 176.870 -0.182 0.000 1.019 292 L CA 1.122 55.701 54.840 -0.435 0.000 1.223 292 L CB -1.439 40.227 42.059 -0.656 0.000 1.940 292 L HN 0.771 nan 8.230 nan 0.000 0.675 293 M N -0.948 118.610 119.600 -0.071 0.000 2.382 293 M HA 0.158 4.638 4.480 0.000 0.000 0.247 293 M C 0.408 176.595 176.300 -0.189 0.000 1.104 293 M CA 0.684 55.959 55.300 -0.042 0.000 1.030 293 M CB 0.480 33.177 32.600 0.161 0.000 1.424 293 M HN 0.318 nan 8.290 nan 0.000 0.486 294 H N -0.380 118.533 119.070 -0.262 0.000 3.112 294 H HA 0.152 4.708 4.556 0.000 0.000 0.347 294 H C -0.542 174.692 175.328 -0.157 0.000 1.188 294 H CA -0.224 55.617 56.048 -0.345 0.000 1.240 294 H CB 1.349 30.787 29.762 -0.541 0.000 1.920 294 H HN 0.097 nan 8.280 nan 0.000 0.535 295 E N 2.013 122.075 120.200 -0.230 0.000 2.265 295 E HA -0.076 4.274 4.350 0.000 0.000 0.196 295 E C 0.042 176.716 176.600 0.123 0.000 0.996 295 E CA 0.775 57.145 56.400 -0.050 0.000 0.832 295 E CB 0.351 29.979 29.700 -0.120 0.000 0.756 295 E HN 0.239 nan 8.360 nan 0.000 0.491 296 R N 1.212 121.923 120.500 0.353 0.000 2.587 296 R HA 0.219 4.559 4.340 0.000 0.000 0.283 296 R C -2.453 173.958 176.300 0.185 0.000 1.472 296 R CA -1.448 54.802 56.100 0.250 0.000 1.578 296 R CB 1.256 31.699 30.300 0.238 0.000 1.130 296 R HN 0.059 nan 8.270 nan 0.000 0.602 297 P HA 0.105 nan 4.420 nan 0.000 0.276 297 P C -0.009 177.169 177.300 -0.202 0.000 1.261 297 P CA -0.066 63.020 63.100 -0.023 0.000 0.800 297 P CB 1.042 32.749 31.700 0.012 0.000 1.066 298 A N -1.168 121.276 122.820 -0.626 0.000 2.872 298 A HA -0.257 4.063 4.320 0.000 0.000 0.273 298 A C 0.048 177.465 177.584 -0.278 0.000 1.442 298 A CA 0.434 51.951 52.037 -0.867 0.000 0.801 298 A CB -3.027 15.765 19.000 -0.347 0.000 1.031 298 A HN 0.566 nan 8.150 nan 0.000 0.582 299 Y N -0.532 119.622 120.300 -0.243 0.000 2.650 299 Y HA 0.448 4.998 4.550 0.000 0.000 0.331 299 Y C 0.374 176.339 175.900 0.108 0.000 1.165 299 Y CA 0.573 58.632 58.100 -0.068 0.000 1.473 299 Y CB 0.216 38.623 38.460 -0.089 0.000 1.224 299 Y HN 0.388 nan 8.280 nan 0.000 0.533 300 L N 7.969 129.035 121.223 -0.260 0.000 2.305 300 L HA 0.346 4.686 4.340 0.000 0.000 0.284 300 L C -0.765 175.961 176.870 -0.239 0.000 1.013 300 L CA -0.785 54.035 54.840 -0.033 0.000 0.819 300 L CB 0.858 42.925 42.059 0.014 0.000 1.227 300 L HN 0.616 nan 8.230 nan 0.000 0.417 301 Y N 0.890 121.250 120.300 0.100 0.000 2.340 301 Y HA 0.392 4.942 4.550 0.000 0.000 0.327 301 Y C 0.819 176.739 175.900 0.033 0.000 1.321 301 Y CA -0.247 57.908 58.100 0.092 0.000 1.433 301 Y CB 1.465 40.013 38.460 0.146 0.000 1.373 301 Y HN 0.541 nan 8.280 nan 0.000 0.538 302 S N 0.971 116.793 115.700 0.204 0.000 2.557 302 S HA 0.499 4.969 4.470 0.000 0.000 0.291 302 S C -1.527 173.128 174.600 0.092 0.000 1.116 302 S CA -0.891 57.373 58.200 0.106 0.000 0.992 302 S CB 1.361 64.589 63.200 0.046 0.000 1.028 302 S HN 0.533 nan 8.310 nan 0.000 0.484 303 L N 2.711 123.972 121.223 0.063 0.000 2.268 303 L HA 0.463 4.803 4.340 0.000 0.000 0.289 303 L C 0.192 177.081 176.870 0.031 0.000 1.064 303 L CA 0.029 54.886 54.840 0.027 0.000 0.824 303 L CB 0.525 42.590 42.059 0.010 0.000 1.202 303 L HN 0.931 nan 8.230 nan 0.000 0.433 304 E N 4.217 124.431 120.200 0.023 0.000 2.152 304 E HA 0.353 4.703 4.350 0.000 0.000 0.285 304 E C -1.370 175.246 176.600 0.026 0.000 1.043 304 E CA -0.536 55.894 56.400 0.050 0.000 0.839 304 E CB 0.904 30.644 29.700 0.066 0.000 1.069 304 E HN 0.471 nan 8.360 nan 0.000 0.399 305 V N 5.245 125.191 119.914 0.054 0.000 2.398 305 V HA 0.250 4.370 4.120 0.000 0.000 0.286 305 V C -0.208 175.865 176.094 -0.035 0.000 1.026 305 V CA -0.611 61.684 62.300 -0.009 0.000 0.868 305 V CB 1.394 33.219 31.823 0.002 0.000 0.982 305 V HN 0.709 nan 8.190 nan 0.000 0.443 306 Q N 3.906 123.629 119.800 -0.128 0.000 2.309 306 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 306 Q C -1.709 174.124 176.000 -0.278 0.000 1.023 306 Q CA -0.787 54.807 55.803 -0.347 0.000 0.758 306 Q CB 2.052 30.602 28.738 -0.313 0.000 1.247 306 Q HN 0.705 nan 8.270 nan 0.000 0.455 307 L N 3.602 124.629 121.223 -0.326 0.000 2.282 307 L HA 0.539 4.879 4.340 0.000 0.000 0.288 307 L C -1.083 175.679 176.870 -0.181 0.000 1.033 307 L CA 0.350 55.069 54.840 -0.202 0.000 0.807 307 L CB 1.887 43.814 42.059 -0.219 0.000 1.209 307 L HN 0.555 nan 8.230 nan 0.000 0.423 308 T N 5.213 119.729 114.554 -0.064 0.000 2.772 308 T HA 0.841 5.191 4.350 0.000 0.000 0.288 308 T C -0.349 174.388 174.700 0.061 0.000 0.994 308 T CA -0.298 61.790 62.100 -0.020 0.000 0.951 308 T CB 1.211 70.076 68.868 -0.004 0.000 0.933 308 T HN 0.823 nan 8.240 nan 0.000 0.447 309 A N 3.148 125.998 122.820 0.050 0.000 2.413 309 A HA 0.778 5.098 4.320 0.000 0.000 0.307 309 A C -0.814 176.809 177.584 0.065 0.000 1.087 309 A CA -0.882 51.216 52.037 0.101 0.000 0.750 309 A CB 1.373 20.415 19.000 0.070 0.000 1.296 309 A HN 0.538 nan 8.150 nan 0.000 0.423 310 Q N 1.335 121.178 119.800 0.071 0.000 2.314 310 Q HA 0.511 4.851 4.340 0.000 0.000 0.259 310 Q C -0.067 175.959 176.000 0.043 0.000 0.951 310 Q CA -0.060 55.770 55.803 0.045 0.000 0.909 310 Q CB 1.682 30.439 28.738 0.032 0.000 1.236 310 Q HN 0.961 nan 8.270 nan 0.000 0.444 311 T N -2.295 112.279 114.554 0.034 0.000 2.910 311 T HA 0.366 4.716 4.350 0.000 0.000 0.287 311 T C 1.032 175.747 174.700 0.024 0.000 1.050 311 T CA -0.411 61.707 62.100 0.030 0.000 1.011 311 T CB 0.994 69.880 68.868 0.030 0.000 1.195 311 T HN 0.356 nan 8.240 nan 0.000 0.540 312 S N 0.256 115.969 115.700 0.023 0.000 2.440 312 S HA 0.004 4.474 4.470 0.000 0.000 0.238 312 S C 1.318 175.929 174.600 0.019 0.000 1.010 312 S CA 0.824 59.036 58.200 0.019 0.000 0.972 312 S CB -0.645 62.566 63.200 0.018 0.000 0.774 312 S HN 0.625 nan 8.310 nan 0.000 0.501 313 L N 0.931 122.166 121.223 0.021 0.000 3.066 313 L HA 0.485 4.825 4.340 0.000 0.000 0.265 313 L C 0.954 177.837 176.870 0.022 0.000 1.232 313 L CA -0.180 54.673 54.840 0.021 0.000 1.031 313 L CB 0.047 42.118 42.059 0.021 0.000 1.379 313 L HN 0.447 nan 8.230 nan 0.000 0.563 314 G N 0.389 109.203 108.800 0.022 0.000 2.483 314 G HA2 -0.113 3.847 3.960 0.000 0.000 0.521 314 G HA3 -0.113 3.847 3.960 0.000 0.000 0.521 314 G C -3.183 171.733 174.900 0.027 0.000 1.278 314 G CA -1.172 43.942 45.100 0.023 0.000 0.965 314 G HN -0.090 nan 8.290 nan 0.000 0.504 315 P HA 0.501 nan 4.420 nan 0.000 0.275 315 P C 0.097 177.416 177.300 0.032 0.000 1.227 315 P CA -0.132 62.986 63.100 0.030 0.000 0.781 315 P CB 1.471 33.188 31.700 0.029 0.000 0.906 316 V N 0.018 119.949 119.914 0.029 0.000 2.914 316 V HA 0.789 4.909 4.120 0.000 0.000 0.314 316 V C -0.613 175.487 176.094 0.010 0.000 1.084 316 V CA -0.696 61.622 62.300 0.029 0.000 0.963 316 V CB 2.245 34.084 31.823 0.028 0.000 1.025 316 V HN 0.373 nan 8.190 nan 0.000 0.432 317 S N 1.981 117.693 115.700 0.020 0.000 2.503 317 S HA 0.717 5.187 4.470 0.000 0.000 0.301 317 S C -1.154 173.413 174.600 -0.055 0.000 1.087 317 S CA -0.378 57.793 58.200 -0.050 0.000 1.042 317 S CB 1.501 64.730 63.200 0.047 0.000 1.043 317 S HN 1.057 nan 8.310 nan 0.000 0.489 318 D N 0.757 121.016 120.400 -0.235 0.000 2.879 318 D HA 0.589 5.229 4.640 0.000 0.000 0.236 318 D C -1.703 174.391 176.300 -0.344 0.000 1.171 318 D CA -0.390 53.539 54.000 -0.117 0.000 0.868 318 D CB 0.815 41.593 40.800 -0.036 0.000 1.598 318 D HN 0.242 nan 8.370 nan 0.000 0.497 319 F N 2.683 122.667 119.950 0.056 0.000 2.520 319 F HA 0.506 5.033 4.527 0.000 0.000 0.322 319 F C -0.813 175.053 175.800 0.110 0.000 1.103 319 F CA -0.895 57.139 58.000 0.056 0.000 0.926 319 F CB 1.663 40.675 39.000 0.019 0.000 1.154 319 F HN 0.214 nan 8.300 nan 0.000 0.453 320 Y N 0.849 121.225 120.300 0.127 0.000 2.470 320 Y HA 0.602 5.152 4.550 0.000 0.000 0.341 320 Y C -0.941 174.994 175.900 0.059 0.000 1.021 320 Y CA -0.709 57.434 58.100 0.072 0.000 1.025 320 Y CB 2.174 40.650 38.460 0.026 0.000 1.266 320 Y HN 0.555 nan 8.280 nan 0.000 0.448 321 T N 7.070 121.449 114.554 -0.291 0.000 2.809 321 T HA 0.442 4.792 4.350 0.000 0.000 0.284 321 T C -1.620 173.005 174.700 -0.125 0.000 0.992 321 T CA -0.447 61.588 62.100 -0.109 0.000 0.957 321 T CB 0.949 69.756 68.868 -0.101 0.000 0.942 321 T HN 0.503 nan 8.240 nan 0.000 0.439 322 L N 6.379 127.656 121.223 0.090 0.000 2.305 322 L HA 0.559 4.899 4.340 0.000 0.000 0.284 322 L C -2.590 174.318 176.870 0.063 0.000 1.013 322 L CA -2.218 52.703 54.840 0.135 0.000 0.819 322 L CB 1.073 43.247 42.059 0.192 0.000 1.227 322 L HN 0.295 nan 8.230 nan 0.000 0.417 323 P HA 0.155 nan 4.420 nan 0.000 0.268 323 P C -1.284 176.041 177.300 0.042 0.000 1.205 323 P CA -0.012 63.116 63.100 0.047 0.000 0.771 323 P CB 0.831 32.559 31.700 0.047 0.000 0.858 324 V N 2.935 122.899 119.914 0.084 0.000 2.577 324 V HA 0.644 4.764 4.120 0.000 0.000 0.303 324 V C 0.405 176.584 176.094 0.142 0.000 1.042 324 V CA -0.504 61.840 62.300 0.073 0.000 0.872 324 V CB 2.187 34.062 31.823 0.087 0.000 0.998 324 V HN 0.698 nan 8.190 nan 0.000 0.423 325 G N 4.603 113.407 108.800 0.007 0.000 2.437 325 G HA2 0.672 4.632 3.960 0.000 0.000 0.315 325 G HA3 0.672 4.632 3.960 0.000 0.000 0.315 325 G C -0.667 174.233 174.900 0.001 0.000 1.210 325 G CA -0.507 44.620 45.100 0.046 0.000 0.943 325 G HN 0.657 nan 8.290 nan 0.000 0.471 326 I N 2.723 123.371 120.570 0.131 0.000 2.363 326 I HA 0.416 4.586 4.170 0.000 0.000 0.292 326 I C 0.409 176.496 176.117 -0.050 0.000 1.075 326 I CA -0.333 60.969 61.300 0.004 0.000 1.333 326 I CB 0.459 38.449 38.000 -0.016 0.000 1.415 326 I HN 0.673 nan 8.210 nan 0.000 0.502 327 R N 3.414 123.844 120.500 -0.117 0.000 2.690 327 R HA 0.669 5.009 4.340 0.000 0.000 0.269 327 R C -1.141 175.060 176.300 -0.165 0.000 1.037 327 R CA -0.879 55.121 56.100 -0.166 0.000 0.877 327 R CB 1.011 31.241 30.300 -0.117 0.000 1.255 327 R HN 0.412 nan 8.270 nan 0.000 0.467 328 T N -1.163 113.291 114.554 -0.167 0.000 2.908 328 T HA 0.777 5.127 4.350 0.000 0.000 0.290 328 T C -0.765 173.844 174.700 -0.151 0.000 1.034 328 T CA -0.835 61.180 62.100 -0.143 0.000 1.010 328 T CB 1.825 70.624 68.868 -0.115 0.000 1.068 328 T HN 0.432 nan 8.240 nan 0.000 0.481 329 V N 1.196 121.013 119.914 -0.161 0.000 2.531 329 V HA 0.880 5.000 4.120 0.000 0.000 0.301 329 V C 0.067 176.011 176.094 -0.250 0.000 1.034 329 V CA -0.738 61.427 62.300 -0.224 0.000 0.865 329 V CB 0.941 32.636 31.823 -0.213 0.000 0.995 329 V HN 1.429 nan 8.190 nan 0.000 0.424 330 A N 3.905 126.532 122.820 -0.321 0.000 2.556 330 A HA 0.980 5.300 4.320 0.000 0.000 0.294 330 A C -1.423 175.953 177.584 -0.347 0.000 1.091 330 A CA -0.672 51.210 52.037 -0.257 0.000 0.704 330 A CB 2.306 21.226 19.000 -0.133 0.000 1.300 330 A HN 0.706 nan 8.150 nan 0.000 0.406 331 V N 1.225 121.015 119.914 -0.206 0.000 2.638 331 V HA 0.684 4.804 4.120 0.000 0.000 0.306 331 V C 0.514 176.602 176.094 -0.009 0.000 1.052 331 V CA 0.136 62.362 62.300 -0.122 0.000 0.885 331 V CB 1.753 33.527 31.823 -0.080 0.000 0.999 331 V HN 1.317 nan 8.190 nan 0.000 0.424 332 T N 1.178 115.762 114.554 0.049 0.000 2.864 332 T HA 0.431 4.781 4.350 0.000 0.000 0.276 332 T C 0.859 175.629 174.700 0.118 0.000 1.006 332 T CA -0.546 61.599 62.100 0.075 0.000 0.970 332 T CB 1.229 70.145 68.868 0.080 0.000 1.420 332 T HN 0.443 nan 8.240 nan 0.000 0.601 333 K N 0.323 120.800 120.400 0.129 0.000 2.288 333 K HA 0.038 4.359 4.320 0.000 0.000 0.201 333 K C 1.760 178.534 176.600 0.291 0.000 1.048 333 K CA 1.235 57.624 56.287 0.169 0.000 0.956 333 K CB -0.004 32.578 32.500 0.136 0.000 0.746 333 K HN 0.669 nan 8.250 nan 0.000 0.461 334 S N -1.279 114.576 115.700 0.257 0.000 2.817 334 S HA 0.159 4.630 4.470 0.000 0.000 0.262 334 S C 0.127 174.862 174.600 0.227 0.000 1.051 334 S CA -0.699 57.667 58.200 0.277 0.000 1.185 334 S CB 0.588 63.927 63.200 0.232 0.000 1.152 334 S HN 0.017 nan 8.310 nan 0.000 0.653 335 Q N 0.217 120.143 119.800 0.210 0.000 2.423 335 Q HA 0.579 4.919 4.340 0.000 0.000 0.278 335 Q C -2.162 174.000 176.000 0.270 0.000 1.097 335 Q CA -0.746 55.191 55.803 0.223 0.000 0.809 335 Q CB 2.353 31.191 28.738 0.166 0.000 1.391 335 Q HN 0.384 nan 8.270 nan 0.000 0.428 336 F N 2.529 122.591 119.950 0.187 0.000 2.403 336 F HA 0.443 4.970 4.527 0.000 0.000 0.355 336 F C -1.435 174.478 175.800 0.188 0.000 1.119 336 F CA -0.609 57.516 58.000 0.207 0.000 1.007 336 F CB 0.583 39.776 39.000 0.321 0.000 1.194 336 F HN 0.312 nan 8.300 nan 0.000 0.443 337 L N 7.542 128.756 121.223 -0.014 0.000 2.272 337 L HA 0.499 4.839 4.340 0.000 0.000 0.289 337 L C -0.480 176.386 176.870 -0.007 0.000 1.032 337 L CA -0.567 54.308 54.840 0.057 0.000 0.810 337 L CB 1.455 43.519 42.059 0.009 0.000 1.205 337 L HN 0.502 nan 8.230 nan 0.000 0.422 338 I N 4.332 124.965 120.570 0.105 0.000 2.362 338 I HA 0.256 4.426 4.170 0.000 0.000 0.289 338 I C -0.137 175.999 176.117 0.031 0.000 0.994 338 I CA -0.539 60.766 61.300 0.009 0.000 1.158 338 I CB 1.356 39.316 38.000 -0.067 0.000 1.315 338 I HN 0.691 nan 8.210 nan 0.000 0.451 339 N N 4.928 123.569 118.700 -0.099 0.000 2.708 339 N HA -0.199 4.541 4.740 0.000 0.000 0.249 339 N C 0.915 176.451 175.510 0.044 0.000 1.097 339 N CA 1.309 54.278 53.050 -0.135 0.000 0.710 339 N CB -1.221 36.956 38.487 -0.517 0.000 1.032 339 N HN 1.144 nan 8.380 nan 0.000 0.551 340 G N -1.423 107.404 108.800 0.045 0.000 2.155 340 G HA2 -0.364 3.596 3.960 0.000 0.000 0.257 340 G HA3 -0.364 3.596 3.960 0.000 0.000 0.257 340 G C -0.051 174.926 174.900 0.129 0.000 0.983 340 G CA 0.985 46.129 45.100 0.072 0.000 0.676 340 G HN 0.556 nan 8.290 nan 0.000 0.528 341 K N 0.526 121.042 120.400 0.194 0.000 2.270 341 K HA 0.490 4.810 4.320 0.000 0.000 0.255 341 K C -2.755 173.981 176.600 0.227 0.000 0.936 341 K CA -2.276 54.141 56.287 0.216 0.000 0.809 341 K CB 2.365 35.042 32.500 0.296 0.000 1.131 341 K HN -0.085 nan 8.250 nan 0.000 0.427 342 P HA -0.021 nan 4.420 nan 0.000 0.265 342 P C -1.178 176.293 177.300 0.286 0.000 1.193 342 P CA 0.084 63.313 63.100 0.215 0.000 0.765 342 P CB 0.277 32.061 31.700 0.140 0.000 0.823 343 F N 4.179 124.226 119.950 0.161 0.000 2.532 343 F HA 0.566 5.093 4.527 0.000 0.000 0.321 343 F C -1.466 174.384 175.800 0.083 0.000 1.089 343 F CA -1.106 56.943 58.000 0.082 0.000 0.926 343 F CB 1.319 40.349 39.000 0.049 0.000 1.168 343 F HN 0.226 nan 8.300 nan 0.000 0.459 344 Y N 5.797 125.526 120.300 -0.950 0.000 2.338 344 Y HA 0.495 5.045 4.550 0.000 0.000 0.333 344 Y C -1.417 173.759 175.900 -1.207 0.000 0.968 344 Y CA -1.103 56.567 58.100 -0.717 0.000 1.123 344 Y CB 0.875 39.133 38.460 -0.336 0.000 1.165 344 Y HN 0.497 nan 8.280 nan 0.000 0.452 345 F N 5.539 124.747 119.950 -1.236 0.000 2.506 345 F HA 0.172 4.699 4.527 0.000 0.000 0.371 345 F C -0.004 175.273 175.800 -0.872 0.000 1.078 345 F CA 0.171 57.611 58.000 -0.932 0.000 1.195 345 F CB 0.248 38.894 39.000 -0.589 0.000 1.099 345 F HN 0.547 nan 8.300 nan 0.000 0.548 346 H N 1.098 119.859 119.070 -0.515 0.000 2.791 346 H HA 0.753 5.309 4.556 0.000 0.000 0.272 346 H C -0.213 174.615 175.328 -0.834 0.000 1.188 346 H CA -0.959 54.642 56.048 -0.745 0.000 1.436 346 H CB 0.681 29.922 29.762 -0.869 0.000 1.467 346 H HN 0.644 nan 8.280 nan 0.000 0.500 347 G N 0.781 109.435 108.800 -0.244 0.000 2.947 347 G HA2 0.625 4.585 3.960 0.000 0.000 0.293 347 G HA3 0.625 4.585 3.960 0.000 0.000 0.293 347 G C -1.085 173.969 174.900 0.257 0.000 1.243 347 G CA -0.381 44.753 45.100 0.058 0.000 0.802 347 G HN 0.925 nan 8.290 nan 0.000 0.560 348 V N -2.572 117.467 119.914 0.209 0.000 3.160 348 V HA 0.715 4.835 4.120 0.000 0.000 0.310 348 V C -1.146 174.983 176.094 0.058 0.000 1.181 348 V CA -1.370 61.023 62.300 0.156 0.000 1.047 348 V CB 1.917 33.868 31.823 0.214 0.000 1.068 348 V HN 0.639 nan 8.190 nan 0.000 0.441 349 N N 1.325 119.986 118.700 -0.065 0.000 2.456 349 N HA 0.568 5.308 4.740 0.000 0.000 0.296 349 N C -0.786 174.471 175.510 -0.421 0.000 1.102 349 N CA -0.602 52.310 53.050 -0.229 0.000 0.924 349 N CB 2.314 40.656 38.487 -0.241 0.000 1.186 349 N HN 0.686 nan 8.380 nan 0.000 0.492 350 K N 0.228 120.333 120.400 -0.491 0.000 2.208 350 K HA 0.532 4.852 4.320 0.000 0.000 0.241 350 K C -0.913 175.314 176.600 -0.622 0.000 1.087 350 K CA -0.687 55.298 56.287 -0.503 0.000 0.883 350 K CB 1.634 33.776 32.500 -0.598 0.000 1.360 350 K HN 0.441 nan 8.250 nan 0.000 0.496 351 H N 0.588 119.365 119.070 -0.488 0.000 3.042 351 H HA 0.145 4.701 4.556 0.000 0.000 0.346 351 H C -1.257 173.754 175.328 -0.528 0.000 1.294 351 H CA -0.544 55.197 56.048 -0.513 0.000 1.141 351 H CB 1.998 31.408 29.762 -0.588 0.000 1.872 351 H HN 0.516 nan 8.280 nan 0.000 0.541 352 E N 2.097 122.134 120.200 -0.271 0.000 1.941 352 E HA 0.175 4.525 4.350 0.000 0.000 0.275 352 E C -0.701 175.832 176.600 -0.111 0.000 1.113 352 E CA 0.004 56.238 56.400 -0.277 0.000 0.878 352 E CB 0.689 30.252 29.700 -0.230 0.000 1.070 352 E HN 0.314 nan 8.360 nan 0.000 0.399 353 D N 2.267 122.597 120.400 -0.117 0.000 2.812 353 D HA 0.432 5.072 4.640 0.000 0.000 0.210 353 D C -1.831 174.438 176.300 -0.051 0.000 1.260 353 D CA -0.333 53.639 54.000 -0.046 0.000 0.817 353 D CB 1.621 42.483 40.800 0.103 0.000 1.694 353 D HN 0.411 nan 8.370 nan 0.000 0.530 354 A N 2.833 125.604 122.820 -0.082 0.000 2.586 354 A HA 0.487 4.807 4.320 0.000 0.000 0.290 354 A C -1.259 176.287 177.584 -0.063 0.000 1.086 354 A CA -0.760 51.239 52.037 -0.063 0.000 0.665 354 A CB 1.207 20.149 19.000 -0.097 0.000 1.279 354 A HN 0.426 nan 8.150 nan 0.000 0.423 355 D N 0.980 121.357 120.400 -0.038 0.000 2.488 355 D HA 0.294 4.934 4.640 0.000 0.000 0.238 355 D C 1.328 177.601 176.300 -0.045 0.000 1.138 355 D CA 0.767 54.751 54.000 -0.027 0.000 0.873 355 D CB 0.473 41.261 40.800 -0.020 0.000 1.183 355 D HN 0.520 nan 8.370 nan 0.000 0.458 356 I N 0.886 121.438 120.570 -0.030 0.000 4.300 356 I HA -0.434 3.736 4.170 0.000 0.000 0.079 356 I C 1.941 178.024 176.117 -0.057 0.000 0.562 356 I CA 1.912 63.196 61.300 -0.027 0.000 1.126 356 I CB -1.437 36.553 38.000 -0.018 0.000 1.002 356 I HN 0.654 nan 8.210 nan 0.000 0.174 357 R N 2.393 122.834 120.500 -0.098 0.000 2.297 357 R HA 0.320 4.660 4.340 0.000 0.000 0.197 357 R C 1.504 177.647 176.300 -0.261 0.000 0.943 357 R CA 1.300 57.323 56.100 -0.127 0.000 1.038 357 R CB 0.017 30.252 30.300 -0.109 0.000 0.957 357 R HN 0.699 nan 8.270 nan 0.000 0.484 358 G N 2.353 110.900 108.800 -0.421 0.000 2.602 358 G HA2 -0.413 3.547 3.960 0.000 0.000 0.310 358 G HA3 -0.413 3.547 3.960 0.000 0.000 0.310 358 G C 0.324 174.854 174.900 -0.616 0.000 1.183 358 G CA 0.658 45.151 45.100 -1.011 0.000 0.979 358 G HN 0.386 nan 8.290 nan 0.000 0.545 359 K N 1.847 121.945 120.400 -0.503 0.000 2.387 359 K HA 0.362 4.682 4.320 0.000 0.000 0.198 359 K C 1.335 177.852 176.600 -0.139 0.000 1.022 359 K CA 0.354 56.513 56.287 -0.214 0.000 1.128 359 K CB 0.550 33.005 32.500 -0.076 0.000 0.853 359 K HN 0.676 nan 8.250 nan 0.000 0.523 360 G N 1.533 110.240 108.800 -0.155 0.000 2.380 360 G HA2 -0.009 3.951 3.960 0.000 0.000 0.242 360 G HA3 -0.009 3.951 3.960 0.000 0.000 0.242 360 G C -0.577 174.284 174.900 -0.066 0.000 1.298 360 G CA -0.359 44.694 45.100 -0.079 0.000 0.878 360 G HN 0.168 nan 8.290 nan 0.000 0.542 361 F N 1.454 121.304 119.950 -0.167 0.000 2.518 361 F HA 0.392 4.919 4.527 0.000 0.000 0.359 361 F C 0.196 175.857 175.800 -0.231 0.000 1.118 361 F CA -0.157 57.707 58.000 -0.227 0.000 1.287 361 F CB 1.269 40.111 39.000 -0.263 0.000 1.132 361 F HN 0.462 nan 8.300 nan 0.000 0.587 362 D N 4.330 123.987 120.400 -1.237 0.000 2.966 362 D HA 0.165 4.805 4.640 0.000 0.000 0.222 362 D C -0.286 175.451 176.300 -0.939 0.000 1.292 362 D CA -0.515 52.999 54.000 -0.811 0.000 0.907 362 D CB 0.574 41.149 40.800 -0.376 0.000 1.621 362 D HN 0.549 nan 8.370 nan 0.000 0.557 363 W N 2.810 123.807 121.300 -0.505 0.000 2.379 363 W HA 0.052 4.712 4.660 0.000 0.000 0.307 363 W C -0.881 175.523 176.519 -0.193 0.000 1.200 363 W CA 0.831 58.000 57.345 -0.294 0.000 1.297 363 W CB -1.010 28.405 29.460 -0.074 0.000 1.140 363 W HN 0.500 nan 8.180 nan 0.000 0.507 364 P HA -0.198 nan 4.420 nan 0.000 0.215 364 P C 1.531 178.811 177.300 -0.034 0.000 1.157 364 P CA 1.648 64.766 63.100 0.029 0.000 0.868 364 P CB -0.247 31.459 31.700 0.010 0.000 0.788 365 L N -1.657 119.502 121.223 -0.107 0.000 2.079 365 L HA -0.187 4.153 4.340 0.000 0.000 0.210 365 L C 2.381 179.171 176.870 -0.134 0.000 1.081 365 L CA 1.021 55.781 54.840 -0.134 0.000 0.752 365 L CB -1.001 40.950 42.059 -0.180 0.000 0.896 365 L HN -0.009 nan 8.230 nan 0.000 0.433 366 L N -0.712 120.414 121.223 -0.162 0.000 1.994 366 L HA -0.176 4.164 4.340 0.000 0.000 0.208 366 L C 2.382 179.301 176.870 0.081 0.000 1.071 366 L CA 1.760 56.560 54.840 -0.066 0.000 0.745 366 L CB -0.421 41.572 42.059 -0.110 0.000 0.892 366 L HN -0.060 nan 8.230 nan 0.000 0.431 367 V N -0.244 119.720 119.914 0.083 0.000 2.343 367 V HA -0.263 3.858 4.120 0.000 0.000 0.247 367 V C 2.649 178.786 176.094 0.071 0.000 1.051 367 V CA 1.887 64.245 62.300 0.097 0.000 1.036 367 V CB -0.780 31.108 31.823 0.108 0.000 0.654 367 V HN 0.463 nan 8.190 nan 0.000 0.451 368 K N 0.888 121.297 120.400 0.014 0.000 2.032 368 K HA -0.206 4.114 4.320 0.000 0.000 0.209 368 K C 1.695 178.260 176.600 -0.058 0.000 1.048 368 K CA 1.973 58.242 56.287 -0.030 0.000 0.927 368 K CB -0.699 31.761 32.500 -0.067 0.000 0.712 368 K HN 0.447 nan 8.250 nan 0.000 0.441 369 D N -0.560 119.784 120.400 -0.095 0.000 2.117 369 D HA -0.127 4.513 4.640 0.000 0.000 0.197 369 D C 1.743 177.859 176.300 -0.307 0.000 0.987 369 D CA 1.134 54.998 54.000 -0.227 0.000 0.829 369 D CB -0.282 40.232 40.800 -0.477 0.000 0.961 369 D HN 0.199 nan 8.370 nan 0.000 0.460 370 F N 1.100 120.911 119.950 -0.232 0.000 2.171 370 F HA -0.113 4.414 4.527 0.000 0.000 0.300 370 F C 2.206 177.974 175.800 -0.053 0.000 1.090 370 F CA 0.743 58.598 58.000 -0.243 0.000 1.293 370 F CB -0.281 38.372 39.000 -0.579 0.000 1.013 370 F HN -0.072 nan 8.300 nan 0.000 0.486 371 N N 0.464 119.255 118.700 0.150 0.000 2.104 371 N HA -0.158 4.582 4.740 0.000 0.000 0.190 371 N C 2.012 177.633 175.510 0.185 0.000 1.024 371 N CA 1.200 54.355 53.050 0.175 0.000 0.853 371 N CB -0.657 37.902 38.487 0.120 0.000 1.008 371 N HN 0.285 nan 8.380 nan 0.000 0.424 372 L N 0.575 121.846 121.223 0.081 0.000 2.056 372 L HA -0.089 4.251 4.340 0.000 0.000 0.207 372 L C 2.260 179.367 176.870 0.396 0.000 1.078 372 L CA 0.677 55.601 54.840 0.139 0.000 0.749 372 L CB -0.427 41.474 42.059 -0.264 0.000 0.901 372 L HN 0.116 nan 8.230 nan 0.000 0.433 373 L N -0.639 120.719 121.223 0.224 0.000 2.042 373 L HA -0.226 4.114 4.340 0.000 0.000 0.210 373 L C 2.881 179.944 176.870 0.322 0.000 1.076 373 L CA 1.383 56.362 54.840 0.232 0.000 0.749 373 L CB -0.490 41.529 42.059 -0.067 0.000 0.893 373 L HN 0.225 nan 8.230 nan 0.000 0.432 374 R N -1.253 119.403 120.500 0.260 0.000 2.090 374 R HA -0.201 4.139 4.340 0.000 0.000 0.228 374 R C 2.081 178.762 176.300 0.634 0.000 1.110 374 R CA 1.657 57.916 56.100 0.264 0.000 0.973 374 R CB -0.483 29.853 30.300 0.060 0.000 0.869 374 R HN 0.431 nan 8.270 nan 0.000 0.440 375 W N 1.494 123.035 121.300 0.401 0.000 2.358 375 W HA -0.202 4.458 4.660 0.000 0.000 0.303 375 W C 1.754 178.626 176.519 0.589 0.000 1.208 375 W CA 1.020 58.628 57.345 0.438 0.000 1.274 375 W CB -0.319 29.301 29.460 0.266 0.000 1.138 375 W HN 0.007 nan 8.180 nan 0.000 0.515 376 L N 1.450 123.019 121.223 0.577 0.000 2.275 376 L HA 0.156 4.496 4.340 0.000 0.000 0.215 376 L C 2.017 179.078 176.870 0.319 0.000 1.119 376 L CA 2.183 57.224 54.840 0.336 0.000 0.790 376 L CB -0.916 41.457 42.059 0.522 0.000 0.919 376 L HN 0.365 nan 8.230 nan 0.000 0.443 377 G N -1.625 107.343 108.800 0.280 0.000 2.136 377 G HA2 -0.228 3.732 3.960 0.000 0.000 0.242 377 G HA3 -0.228 3.732 3.960 0.000 0.000 0.242 377 G C 0.471 175.440 174.900 0.116 0.000 0.989 377 G CA 0.225 45.119 45.100 -0.344 0.000 0.682 377 G HN 0.883 nan 8.290 nan 0.000 0.522 378 A N 0.315 123.355 122.820 0.366 0.000 2.409 378 A HA 0.587 4.907 4.320 0.000 0.000 0.262 378 A C 1.111 178.832 177.584 0.229 0.000 1.113 378 A CA 0.609 52.819 52.037 0.289 0.000 0.790 378 A CB 0.245 19.461 19.000 0.361 0.000 1.046 378 A HN 1.050 nan 8.150 nan 0.000 0.496 379 N N 0.888 119.569 118.700 -0.032 0.000 2.203 379 N HA 0.437 5.177 4.740 0.000 0.000 0.207 379 N C -0.310 175.225 175.510 0.042 0.000 1.130 379 N CA 0.540 53.597 53.050 0.011 0.000 0.861 379 N CB 0.556 38.880 38.487 -0.272 0.000 1.005 379 N HN 0.833 nan 8.380 nan 0.000 0.507 380 A N -0.149 122.700 122.820 0.048 0.000 2.594 380 A HA 0.656 4.976 4.320 0.000 0.000 0.296 380 A C -1.828 175.832 177.584 0.125 0.000 1.061 380 A CA -0.987 51.086 52.037 0.060 0.000 0.689 380 A CB 0.693 19.809 19.000 0.193 0.000 1.280 380 A HN 0.303 nan 8.150 nan 0.000 0.406 381 F N -0.623 119.310 119.950 -0.028 0.000 2.645 381 F HA 0.859 5.386 4.527 0.000 0.000 0.310 381 F C -0.563 175.143 175.800 -0.157 0.000 1.102 381 F CA -0.944 56.992 58.000 -0.106 0.000 0.952 381 F CB 1.470 40.358 39.000 -0.186 0.000 1.326 381 F HN 0.738 nan 8.300 nan 0.000 0.456 382 R N 0.640 121.167 120.500 0.044 0.000 2.404 382 R HA 0.446 4.786 4.340 0.000 0.000 0.291 382 R C -0.235 175.973 176.300 -0.153 0.000 1.025 382 R CA -0.135 55.901 56.100 -0.107 0.000 0.991 382 R CB 1.435 31.670 30.300 -0.108 0.000 1.053 382 R HN 0.962 nan 8.270 nan 0.000 0.479 383 T N 0.896 115.205 114.554 -0.407 0.000 4.313 383 T HA 0.091 4.441 4.350 0.000 0.000 0.272 383 T C -0.055 174.184 174.700 -0.769 0.000 1.298 383 T CA -0.663 60.854 62.100 -0.971 0.000 1.124 383 T CB -0.555 67.566 68.868 -1.245 0.000 1.352 383 T HN 0.518 nan 8.240 nan 0.000 1.013 384 S N 2.446 117.750 115.700 -0.660 0.000 2.515 384 S HA 0.077 4.547 4.470 0.000 0.000 0.285 384 S C -0.066 173.691 174.600 -1.406 0.000 1.265 384 S CA -0.631 56.975 58.200 -0.990 0.000 1.079 384 S CB -0.099 62.507 63.200 -0.990 0.000 0.877 384 S HN 0.704 nan 8.310 nan 0.000 0.493 385 H N 3.354 121.723 119.070 -1.169 0.000 2.471 385 H HA 0.330 4.886 4.556 0.000 0.000 0.234 385 H C -1.060 174.011 175.328 -0.428 0.000 1.388 385 H CA -0.347 55.398 56.048 -0.505 0.000 1.198 385 H CB -0.247 29.494 29.762 -0.036 0.000 1.714 385 H HN 0.892 nan 8.280 nan 0.000 0.536 386 Y N -2.991 117.197 120.300 -0.187 0.000 2.717 386 Y HA 0.371 4.921 4.550 0.000 0.000 0.345 386 Y C -3.344 172.458 175.900 -0.163 0.000 1.187 386 Y CA -3.003 54.927 58.100 -0.283 0.000 1.128 386 Y CB 0.101 38.020 38.460 -0.902 0.000 1.360 386 Y HN -0.114 nan 8.280 nan 0.000 0.467 387 P HA 0.108 nan 4.420 nan 0.000 0.268 387 P C -0.779 176.747 177.300 0.378 0.000 1.204 387 P CA 0.479 63.664 63.100 0.142 0.000 0.768 387 P CB 0.324 32.127 31.700 0.172 0.000 0.842 388 Y N 1.043 121.402 120.300 0.099 0.000 2.340 388 Y HA 0.441 4.992 4.550 0.000 0.000 0.327 388 Y C 1.317 177.259 175.900 0.070 0.000 1.321 388 Y CA -2.217 55.950 58.100 0.112 0.000 1.433 388 Y CB -0.378 38.120 38.460 0.063 0.000 1.373 388 Y HN 0.381 nan 8.280 nan 0.000 0.538 389 A N 0.779 123.720 122.820 0.201 0.000 2.561 389 A HA -0.024 4.296 4.320 0.000 0.000 0.234 389 A C 1.257 178.814 177.584 -0.046 0.000 1.055 389 A CA 0.036 52.082 52.037 0.016 0.000 0.756 389 A CB -0.186 18.750 19.000 -0.107 0.000 0.986 389 A HN 0.883 nan 8.150 nan 0.000 0.505 390 E N 1.232 121.343 120.200 -0.147 0.000 2.118 390 E HA -0.239 4.111 4.350 0.000 0.000 0.195 390 E C 1.503 177.890 176.600 -0.355 0.000 0.992 390 E CA 1.894 58.140 56.400 -0.258 0.000 0.804 390 E CB -0.100 29.364 29.700 -0.392 0.000 0.741 390 E HN 0.857 nan 8.360 nan 0.000 0.458 391 E N 0.272 120.237 120.200 -0.391 0.000 2.160 391 E HA -0.168 4.182 4.350 0.000 0.000 0.195 391 E C 2.042 178.599 176.600 -0.073 0.000 0.991 391 E CA 0.957 57.212 56.400 -0.242 0.000 0.810 391 E CB -0.109 29.393 29.700 -0.330 0.000 0.742 391 E HN 0.082 nan 8.360 nan 0.000 0.466 392 V N 0.607 120.522 119.914 0.002 0.000 2.358 392 V HA -0.260 3.860 4.120 0.000 0.000 0.246 392 V C 2.089 178.218 176.094 0.057 0.000 1.047 392 V CA 1.465 63.850 62.300 0.143 0.000 1.035 392 V CB -0.383 31.619 31.823 0.298 0.000 0.658 392 V HN 0.339 nan 8.190 nan 0.000 0.452 393 M N -0.508 119.018 119.600 -0.124 0.000 2.175 393 M HA -0.142 4.338 4.480 0.000 0.000 0.264 393 M C 2.257 178.347 176.300 -0.350 0.000 1.063 393 M CA 1.527 56.595 55.300 -0.386 0.000 1.119 393 M CB -1.170 30.915 32.600 -0.860 0.000 1.377 393 M HN 0.442 nan 8.290 nan 0.000 0.415 394 Q N -0.490 119.188 119.800 -0.204 0.000 2.096 394 Q HA -0.134 4.206 4.340 0.000 0.000 0.204 394 Q C 2.149 178.131 176.000 -0.030 0.000 0.982 394 Q CA 1.145 56.929 55.803 -0.032 0.000 0.850 394 Q CB -0.167 28.558 28.738 -0.023 0.000 0.901 394 Q HN 0.467 nan 8.270 nan 0.000 0.422 395 M N -0.024 119.485 119.600 -0.151 0.000 2.117 395 M HA -0.181 4.299 4.480 0.000 0.000 0.262 395 M C 2.425 178.568 176.300 -0.262 0.000 1.065 395 M CA 1.028 56.094 55.300 -0.390 0.000 1.114 395 M CB -1.056 30.911 32.600 -1.055 0.000 1.361 395 M HN 0.374 nan 8.290 nan 0.000 0.408 396 C N 0.976 120.227 119.300 -0.082 0.000 2.401 396 C HA -0.191 4.269 4.460 0.000 0.000 0.276 396 C C 2.324 177.474 174.990 0.268 0.000 1.233 396 C CA 0.988 60.110 59.018 0.173 0.000 1.753 396 C CB -1.158 26.624 27.740 0.069 0.000 2.029 396 C HN 0.536 nan 8.230 nan 0.000 0.478 397 D N 0.134 120.654 120.400 0.200 0.000 2.144 397 D HA -0.100 4.540 4.640 0.000 0.000 0.199 397 D C 2.375 178.950 176.300 0.459 0.000 0.984 397 D CA 1.147 55.352 54.000 0.342 0.000 0.834 397 D CB -0.407 40.512 40.800 0.199 0.000 0.955 397 D HN 0.549 nan 8.370 nan 0.000 0.465 398 R N -0.814 119.855 120.500 0.282 0.000 2.119 398 R HA -0.033 4.307 4.340 0.000 0.000 0.222 398 R C 1.680 178.062 176.300 0.137 0.000 1.088 398 R CA 0.644 56.860 56.100 0.194 0.000 0.984 398 R CB -0.061 30.329 30.300 0.150 0.000 0.884 398 R HN 0.256 nan 8.270 nan 0.000 0.447 399 Y N -0.587 119.729 120.300 0.027 0.000 2.500 399 Y HA 0.246 4.796 4.550 0.000 0.000 0.270 399 Y C 1.421 177.340 175.900 0.030 0.000 1.134 399 Y CA 0.419 58.525 58.100 0.011 0.000 1.293 399 Y CB 0.604 39.090 38.460 0.043 0.000 1.063 399 Y HN 0.250 nan 8.280 nan 0.000 0.534 400 G N 0.749 109.678 108.800 0.214 0.000 2.160 400 G HA2 -0.228 3.732 3.960 0.000 0.000 0.244 400 G HA3 -0.228 3.732 3.960 0.000 0.000 0.244 400 G C -0.263 174.764 174.900 0.213 0.000 1.022 400 G CA -0.103 45.004 45.100 0.011 0.000 0.741 400 G HN 0.113 nan 8.290 nan 0.000 0.508 401 I N 1.942 122.698 120.570 0.310 0.000 2.291 401 I HA 0.328 4.498 4.170 0.000 0.000 0.290 401 I C 1.354 177.528 176.117 0.095 0.000 1.050 401 I CA -1.077 60.357 61.300 0.224 0.000 1.245 401 I CB 0.500 38.679 38.000 0.298 0.000 1.405 401 I HN 0.238 nan 8.210 nan 0.000 0.478 402 V N 6.255 126.202 119.914 0.056 0.000 3.051 402 V HA 0.549 4.669 4.120 0.000 0.000 0.306 402 V C 0.103 176.056 176.094 -0.235 0.000 1.083 402 V CA -0.324 61.948 62.300 -0.046 0.000 1.104 402 V CB 1.606 33.361 31.823 -0.113 0.000 1.027 402 V HN 0.385 nan 8.190 nan 0.000 0.483 403 V N 4.405 124.154 119.914 -0.276 0.000 2.638 403 V HA 0.460 4.580 4.120 0.000 0.000 0.306 403 V C -0.176 175.751 176.094 -0.278 0.000 1.052 403 V CA -0.397 61.649 62.300 -0.423 0.000 0.885 403 V CB 1.730 33.250 31.823 -0.504 0.000 0.999 403 V HN 0.832 nan 8.190 nan 0.000 0.424 404 I N 3.660 124.078 120.570 -0.253 0.000 2.287 404 I HA 0.279 4.449 4.170 0.000 0.000 0.290 404 I C -0.269 175.723 176.117 -0.208 0.000 1.069 404 I CA -0.124 61.050 61.300 -0.210 0.000 1.237 404 I CB 0.816 38.690 38.000 -0.209 0.000 1.418 404 I HN 0.531 nan 8.210 nan 0.000 0.481 405 D N 6.899 127.188 120.400 -0.186 0.000 2.316 405 D HA 0.134 4.774 4.640 0.000 0.000 0.245 405 D C -0.378 175.973 176.300 0.084 0.000 1.171 405 D CA 0.025 53.970 54.000 -0.092 0.000 0.856 405 D CB 0.912 41.679 40.800 -0.056 0.000 1.090 405 D HN 0.505 nan 8.370 nan 0.000 0.476 406 E N 3.154 123.347 120.200 -0.012 0.000 2.187 406 E HA 0.279 4.629 4.350 0.000 0.000 0.268 406 E C -0.615 176.018 176.600 0.054 0.000 0.896 406 E CA -0.868 55.559 56.400 0.044 0.000 0.766 406 E CB 1.300 30.991 29.700 -0.014 0.000 1.142 406 E HN 0.451 nan 8.360 nan 0.000 0.408 407 C N 4.822 124.191 119.300 0.116 0.000 2.741 407 C HA 0.102 4.562 4.460 0.000 0.000 0.403 407 C C -1.633 173.400 174.990 0.073 0.000 1.282 407 C CA -1.170 57.903 59.018 0.092 0.000 2.053 407 C CB -0.012 27.806 27.740 0.131 0.000 2.731 407 C HN 0.659 nan 8.230 nan 0.000 0.680 408 P HA 0.158 nan 4.420 nan 0.000 0.271 408 P C 0.203 177.503 177.300 0.000 0.000 1.535 408 P CA 0.577 63.719 63.100 0.071 0.000 0.820 408 P CB -0.567 31.209 31.700 0.127 0.000 1.606 409 G N 0.042 108.844 108.800 0.002 0.000 3.458 409 G HA2 0.280 4.240 3.960 0.000 0.000 0.256 409 G HA3 0.280 4.240 3.960 0.000 0.000 0.256 409 G C -0.407 174.555 174.900 0.104 0.000 0.938 409 G CA -0.041 45.067 45.100 0.013 0.000 1.890 409 G HN 0.318 nan 8.290 nan 0.000 0.639 410 V N 0.242 120.192 119.914 0.060 0.000 2.769 410 V HA 0.786 4.906 4.120 0.000 0.000 0.312 410 V C 0.943 177.109 176.094 0.121 0.000 1.061 410 V CA 0.625 62.975 62.300 0.083 0.000 0.931 410 V CB 1.541 33.423 31.823 0.099 0.000 1.010 410 V HN 1.279 nan 8.190 nan 0.000 0.433 411 G N 4.991 113.924 108.800 0.221 0.000 2.147 411 G HA2 -0.180 3.780 3.960 0.000 0.000 0.244 411 G HA3 -0.180 3.780 3.960 0.000 0.000 0.244 411 G C -0.280 174.792 174.900 0.286 0.000 1.005 411 G CA 0.280 45.590 45.100 0.349 0.000 0.713 411 G HN 0.932 nan 8.290 nan 0.000 0.515 412 L N 0.771 122.110 121.223 0.193 0.000 2.391 412 L HA 0.629 4.969 4.340 0.000 0.000 0.249 412 L C 1.692 178.762 176.870 0.333 0.000 1.308 412 L CA 0.923 55.862 54.840 0.165 0.000 1.209 412 L CB 0.251 42.246 42.059 -0.105 0.000 1.401 412 L HN 0.384 nan 8.230 nan 0.000 0.416 413 A N 1.543 124.553 122.820 0.317 0.000 2.115 413 A HA 0.369 4.689 4.320 0.000 0.000 0.211 413 A C 0.791 178.322 177.584 -0.089 0.000 1.169 413 A CA 0.302 52.394 52.037 0.091 0.000 0.787 413 A CB 0.237 19.206 19.000 -0.051 0.000 0.858 413 A HN 0.377 nan 8.150 nan 0.000 0.474 414 L N -0.716 120.298 121.223 -0.349 0.000 2.331 414 L HA 0.346 4.686 4.340 0.000 0.000 0.275 414 L C -1.871 174.829 176.870 -0.283 0.000 1.022 414 L CA -2.233 52.293 54.840 -0.522 0.000 0.812 414 L CB 1.480 42.936 42.059 -1.005 0.000 1.257 414 L HN -0.062 nan 8.230 nan 0.000 0.435 415 P HA -0.207 nan 4.420 nan 0.000 0.218 415 P C 1.231 178.537 177.300 0.010 0.000 1.148 415 P CA 1.046 64.141 63.100 -0.009 0.000 0.822 415 P CB 0.088 31.748 31.700 -0.066 0.000 0.784 416 Q N -1.657 118.037 119.800 -0.176 0.000 2.364 416 Q HA -0.120 4.220 4.340 0.000 0.000 0.209 416 Q C 1.011 177.020 176.000 0.014 0.000 0.977 416 Q CA 1.138 56.875 55.803 -0.110 0.000 0.885 416 Q CB -0.837 27.807 28.738 -0.157 0.000 0.941 416 Q HN 0.165 nan 8.270 nan 0.000 0.464 417 F N 0.050 119.942 119.950 -0.097 0.000 2.780 417 F HA 0.242 4.769 4.527 0.000 0.000 0.299 417 F C 0.016 175.506 175.800 -0.517 0.000 1.146 417 F CA -0.651 57.162 58.000 -0.311 0.000 1.428 417 F CB -0.054 38.660 39.000 -0.477 0.000 1.115 417 F HN -0.070 nan 8.300 nan 0.000 0.583 418 F N 1.679 121.630 119.950 0.002 0.000 2.308 418 F HA 0.357 4.884 4.527 0.000 0.000 0.370 418 F C 0.069 175.909 175.800 0.066 0.000 1.100 418 F CA -0.898 57.054 58.000 -0.080 0.000 1.108 418 F CB 0.245 39.122 39.000 -0.205 0.000 1.293 418 F HN -0.042 nan 8.300 nan 0.000 0.478 419 N N -0.470 118.398 118.700 0.279 0.000 3.106 419 N HA 0.234 4.974 4.740 0.000 0.000 0.253 419 N C -0.027 175.593 175.510 0.183 0.000 1.506 419 N CA -0.937 52.230 53.050 0.197 0.000 0.876 419 N CB 0.484 39.047 38.487 0.127 0.000 1.452 419 N HN 0.072 nan 8.380 nan 0.000 0.542 420 N N -0.954 117.813 118.700 0.113 0.000 2.188 420 N HA -0.048 4.692 4.740 0.000 0.000 0.184 420 N C 0.952 176.514 175.510 0.087 0.000 1.018 420 N CA 1.281 54.370 53.050 0.066 0.000 0.858 420 N CB -0.049 38.501 38.487 0.105 0.000 0.989 420 N HN 0.389 nan 8.380 nan 0.000 0.426 421 V N 0.092 120.078 119.914 0.120 0.000 2.323 421 V HA -0.171 3.949 4.120 0.000 0.000 0.244 421 V C 2.384 178.558 176.094 0.133 0.000 1.041 421 V CA 1.856 64.233 62.300 0.128 0.000 1.025 421 V CB -0.805 31.066 31.823 0.080 0.000 0.656 421 V HN 0.543 nan 8.190 nan 0.000 0.451 422 S N 0.564 116.350 115.700 0.142 0.000 2.382 422 S HA -0.202 4.268 4.470 0.000 0.000 0.228 422 S C 1.981 176.717 174.600 0.227 0.000 1.027 422 S CA 1.656 59.979 58.200 0.205 0.000 0.991 422 S CB -0.657 62.668 63.200 0.207 0.000 0.823 422 S HN 0.386 nan 8.310 nan 0.000 0.469 423 L N 2.375 123.654 121.223 0.094 0.000 1.989 423 L HA -0.114 4.226 4.340 0.000 0.000 0.211 423 L C 2.511 179.183 176.870 -0.329 0.000 1.071 423 L CA 2.075 56.703 54.840 -0.353 0.000 0.749 423 L CB -1.192 40.604 42.059 -0.438 0.000 0.890 423 L HN 0.335 nan 8.230 nan 0.000 0.431 424 H N -1.407 117.623 119.070 -0.067 0.000 2.423 424 H HA -0.146 4.410 4.556 0.000 0.000 0.297 424 H C 2.200 177.496 175.328 -0.054 0.000 1.075 424 H CA 1.578 57.567 56.048 -0.097 0.000 1.342 424 H CB -0.470 29.256 29.762 -0.059 0.000 1.395 424 H HN 0.614 nan 8.280 nan 0.000 0.530 425 H N 0.301 119.395 119.070 0.040 0.000 2.353 425 H HA -0.147 4.409 4.556 0.000 0.000 0.300 425 H C 2.095 177.426 175.328 0.005 0.000 1.090 425 H CA 1.605 57.657 56.048 0.007 0.000 1.327 425 H CB -0.072 29.690 29.762 -0.001 0.000 1.383 425 H HN 0.490 nan 8.280 nan 0.000 0.508 426 H N -0.141 118.824 119.070 -0.176 0.000 2.387 426 H HA -0.085 4.471 4.556 0.000 0.000 0.299 426 H C 2.572 177.752 175.328 -0.246 0.000 1.090 426 H CA 1.522 57.439 56.048 -0.217 0.000 1.332 426 H CB 0.147 29.816 29.762 -0.155 0.000 1.386 426 H HN 0.311 nan 8.280 nan 0.000 0.516 427 M N -0.065 119.466 119.600 -0.116 0.000 2.159 427 M HA -0.197 4.283 4.480 0.000 0.000 0.263 427 M C 2.267 178.496 176.300 -0.119 0.000 1.063 427 M CA 1.293 56.459 55.300 -0.224 0.000 1.110 427 M CB 0.027 32.294 32.600 -0.555 0.000 1.374 427 M HN 0.368 nan 8.290 nan 0.000 0.411 428 Q N -0.264 119.454 119.800 -0.136 0.000 2.079 428 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 428 Q C 2.320 178.250 176.000 -0.117 0.000 0.974 428 Q CA 1.391 57.134 55.803 -0.100 0.000 0.840 428 Q CB -0.472 28.200 28.738 -0.109 0.000 0.898 428 Q HN 0.408 nan 8.270 nan 0.000 0.430 429 V N 1.080 120.865 119.914 -0.215 0.000 2.295 429 V HA -0.266 3.854 4.120 0.000 0.000 0.246 429 V C 2.407 178.453 176.094 -0.080 0.000 1.049 429 V CA 1.386 63.580 62.300 -0.177 0.000 1.024 429 V CB -0.478 31.174 31.823 -0.284 0.000 0.648 429 V HN 0.334 nan 8.190 nan 0.000 0.447 430 M N -0.537 119.039 119.600 -0.040 0.000 2.108 430 M HA -0.183 4.297 4.480 0.000 0.000 0.261 430 M C 2.180 178.401 176.300 -0.132 0.000 1.066 430 M CA 1.609 56.873 55.300 -0.060 0.000 1.107 430 M CB -1.202 31.392 32.600 -0.010 0.000 1.356 430 M HN 0.458 nan 8.290 nan 0.000 0.406 431 E N -0.262 119.906 120.200 -0.052 0.000 2.085 431 E HA -0.227 4.123 4.350 0.000 0.000 0.194 431 E C 1.962 178.513 176.600 -0.081 0.000 0.994 431 E CA 1.252 57.609 56.400 -0.071 0.000 0.801 431 E CB -0.114 29.600 29.700 0.023 0.000 0.743 431 E HN 0.588 nan 8.360 nan 0.000 0.453 432 E N 0.149 120.322 120.200 -0.044 0.000 2.077 432 E HA -0.164 4.186 4.350 0.000 0.000 0.193 432 E C 2.219 178.810 176.600 -0.014 0.000 0.989 432 E CA 1.023 57.419 56.400 -0.006 0.000 0.800 432 E CB 0.117 29.840 29.700 0.040 0.000 0.746 432 E HN 0.069 nan 8.360 nan 0.000 0.452 433 V N 0.726 120.610 119.914 -0.049 0.000 2.295 433 V HA -0.237 3.883 4.120 0.000 0.000 0.246 433 V C 2.342 178.363 176.094 -0.121 0.000 1.049 433 V CA 1.360 63.636 62.300 -0.040 0.000 1.024 433 V CB -0.369 31.424 31.823 -0.051 0.000 0.648 433 V HN 0.137 nan 8.190 nan 0.000 0.447 434 V N 0.097 119.801 119.914 -0.350 0.000 2.343 434 V HA -0.269 3.851 4.120 0.000 0.000 0.247 434 V C 2.561 178.591 176.094 -0.106 0.000 1.051 434 V CA 2.370 64.411 62.300 -0.432 0.000 1.036 434 V CB -0.842 30.636 31.823 -0.576 0.000 0.654 434 V HN 0.520 nan 8.190 nan 0.000 0.451 435 R N 0.200 120.651 120.500 -0.081 0.000 2.096 435 R HA -0.230 4.110 4.340 0.000 0.000 0.240 435 R C 2.533 178.847 176.300 0.023 0.000 1.139 435 R CA 2.142 58.228 56.100 -0.023 0.000 0.952 435 R CB -0.317 29.975 30.300 -0.013 0.000 0.854 435 R HN 0.393 nan 8.270 nan 0.000 0.436 436 R N -0.482 120.050 120.500 0.053 0.000 2.090 436 R HA -0.092 4.248 4.340 0.000 0.000 0.228 436 R C 0.492 176.879 176.300 0.145 0.000 1.110 436 R CA 1.846 58.004 56.100 0.097 0.000 0.973 436 R CB 0.174 30.543 30.300 0.114 0.000 0.869 436 R HN 0.265 nan 8.270 nan 0.000 0.440 437 D N -0.564 119.968 120.400 0.221 0.000 2.433 437 D HA -0.020 4.621 4.640 0.000 0.000 0.211 437 D C 1.087 177.592 176.300 0.341 0.000 1.114 437 D CA 0.169 54.397 54.000 0.380 0.000 0.837 437 D CB 0.434 41.509 40.800 0.459 0.000 0.984 437 D HN 0.335 nan 8.370 nan 0.000 0.505 438 K N 0.582 121.142 120.400 0.268 0.000 2.286 438 K HA -0.112 4.208 4.320 0.000 0.000 0.203 438 K C 0.846 177.480 176.600 0.058 0.000 1.045 438 K CA 0.993 57.420 56.287 0.233 0.000 0.935 438 K CB -0.064 32.510 32.500 0.124 0.000 0.737 438 K HN -0.061 nan 8.250 nan 0.000 0.460 439 N N 0.557 119.214 118.700 -0.071 0.000 2.280 439 N HA 0.003 4.743 4.740 0.000 0.000 0.192 439 N C -0.512 174.849 175.510 -0.249 0.000 1.109 439 N CA 0.135 53.089 53.050 -0.159 0.000 0.855 439 N CB 0.184 38.573 38.487 -0.164 0.000 0.974 439 N HN 0.290 nan 8.380 nan 0.000 0.482 440 H N 1.578 120.586 119.070 -0.103 0.000 2.723 440 H HA 0.118 4.674 4.556 0.000 0.000 0.294 440 H C -1.210 173.909 175.328 -0.348 0.000 1.079 440 H CA -1.306 54.629 56.048 -0.190 0.000 1.411 440 H CB 1.461 31.126 29.762 -0.162 0.000 1.439 440 H HN 0.053 nan 8.280 nan 0.000 0.474 441 P HA -0.146 nan 4.420 nan 0.000 0.218 441 P C 1.299 177.993 177.300 -1.009 0.000 1.148 441 P CA 1.091 63.709 63.100 -0.803 0.000 0.822 441 P CB 0.242 31.171 31.700 -1.284 0.000 0.784 442 A N 0.048 122.408 122.820 -0.767 0.000 2.019 442 A HA -0.040 4.280 4.320 0.000 0.000 0.219 442 A C 1.342 178.717 177.584 -0.348 0.000 1.164 442 A CA 0.795 52.555 52.037 -0.461 0.000 0.644 442 A CB -1.252 17.690 19.000 -0.097 0.000 0.805 442 A HN 0.103 nan 8.150 nan 0.000 0.449 443 V N 1.562 121.265 119.914 -0.352 0.000 2.421 443 V HA 0.129 4.249 4.120 0.000 0.000 0.271 443 V C 1.362 177.207 176.094 -0.414 0.000 1.031 443 V CA 0.645 62.701 62.300 -0.406 0.000 1.032 443 V CB 0.883 32.413 31.823 -0.488 0.000 1.009 443 V HN 0.468 nan 8.190 nan 0.000 0.477 444 V N 2.288 122.019 119.914 -0.305 0.000 3.643 444 V HA 0.506 4.626 4.120 0.000 0.000 0.280 444 V C 0.219 176.259 176.094 -0.090 0.000 1.351 444 V CA 0.236 62.445 62.300 -0.152 0.000 1.073 444 V CB 0.085 31.925 31.823 0.030 0.000 0.863 444 V HN 0.725 nan 8.190 nan 0.000 0.436 445 M N -0.035 119.410 119.600 -0.260 0.000 2.471 445 M HA 0.522 5.002 4.480 0.000 0.000 0.284 445 M C -2.519 173.574 176.300 -0.345 0.000 1.203 445 M CA -0.445 54.732 55.300 -0.205 0.000 0.915 445 M CB 2.223 34.864 32.600 0.069 0.000 1.734 445 M HN 0.213 nan 8.290 nan 0.000 0.485 446 W N 1.988 123.310 121.300 0.036 0.000 2.417 446 W HA 0.648 5.308 4.660 0.000 0.000 0.317 446 W C -0.058 176.485 176.519 0.039 0.000 1.121 446 W CA -0.626 56.733 57.345 0.023 0.000 1.208 446 W CB 1.681 31.159 29.460 0.028 0.000 1.253 446 W HN 0.571 nan 8.180 nan 0.000 0.533 447 S N 2.320 118.189 115.700 0.282 0.000 2.449 447 S HA 0.323 4.793 4.470 0.000 0.000 0.310 447 S C 0.362 175.113 174.600 0.252 0.000 1.096 447 S CA -0.814 57.519 58.200 0.222 0.000 1.095 447 S CB 1.045 64.327 63.200 0.136 0.000 1.007 447 S HN 0.571 nan 8.310 nan 0.000 0.474 448 V N 2.537 122.616 119.914 0.275 0.000 3.506 448 V HA 0.740 4.860 4.120 0.000 0.000 0.263 448 V C 0.518 176.825 176.094 0.354 0.000 1.203 448 V CA 0.767 63.232 62.300 0.275 0.000 1.133 448 V CB -0.850 31.067 31.823 0.157 0.000 0.802 448 V HN 1.016 nan 8.190 nan 0.000 0.459 449 A N 0.501 123.524 122.820 0.338 0.000 2.586 449 A HA 0.713 5.033 4.320 0.000 0.000 0.291 449 A C -1.447 176.328 177.584 0.318 0.000 1.062 449 A CA -0.355 51.876 52.037 0.324 0.000 0.666 449 A CB 1.178 20.359 19.000 0.302 0.000 1.281 449 A HN 0.340 nan 8.150 nan 0.000 0.421 450 N N 0.457 119.295 118.700 0.231 0.000 2.399 450 N HA 0.468 5.208 4.740 0.000 0.000 0.284 450 N C -0.711 174.897 175.510 0.163 0.000 1.025 450 N CA -0.088 53.063 53.050 0.168 0.000 0.885 450 N CB 0.882 39.347 38.487 -0.037 0.000 1.339 450 N HN 0.683 nan 8.380 nan 0.000 0.487 451 E N 0.576 120.917 120.200 0.235 0.000 2.269 451 E HA -0.183 4.167 4.350 0.000 0.000 0.223 451 E C -2.155 174.593 176.600 0.248 0.000 1.244 451 E CA 0.122 56.663 56.400 0.236 0.000 0.713 451 E CB -1.242 28.552 29.700 0.157 0.000 1.178 451 E HN 0.562 nan 8.360 nan 0.000 0.370 452 P HA 0.060 nan 4.420 nan 0.000 0.273 452 P C -0.189 177.252 177.300 0.234 0.000 1.250 452 P CA -0.062 63.202 63.100 0.273 0.000 0.793 452 P CB 0.683 32.513 31.700 0.216 0.000 1.011 453 A N 1.138 124.085 122.820 0.212 0.000 3.051 453 A HA 0.150 4.470 4.320 0.000 0.000 0.257 453 A C 1.383 178.722 177.584 -0.407 0.000 1.785 453 A CA 0.071 52.082 52.037 -0.044 0.000 1.420 453 A CB -1.555 17.387 19.000 -0.098 0.000 1.063 453 A HN 0.488 nan 8.150 nan 0.000 0.630 454 S N 0.387 116.024 115.700 -0.105 0.000 2.603 454 S HA -0.107 4.363 4.470 0.000 0.000 0.220 454 S C 1.548 176.113 174.600 -0.058 0.000 0.967 454 S CA 0.608 58.736 58.200 -0.121 0.000 0.920 454 S CB -0.702 62.556 63.200 0.096 0.000 0.773 454 S HN 0.897 nan 8.310 nan 0.000 0.529 455 H N 1.214 120.286 119.070 0.002 0.000 2.521 455 H HA 0.213 4.769 4.556 0.000 0.000 0.286 455 H C 0.511 175.799 175.328 -0.067 0.000 1.034 455 H CA 0.060 56.103 56.048 -0.009 0.000 1.278 455 H CB -0.556 29.205 29.762 -0.001 0.000 1.386 455 H HN 0.385 nan 8.280 nan 0.000 0.567 456 L N 2.071 122.929 121.223 -0.609 0.000 2.380 456 L HA 0.028 4.368 4.340 0.000 0.000 0.273 456 L C 1.466 178.170 176.870 -0.276 0.000 1.138 456 L CA -0.395 54.177 54.840 -0.447 0.000 0.832 456 L CB 1.188 42.858 42.059 -0.649 0.000 1.124 456 L HN 0.080 nan 8.230 nan 0.000 0.454 457 E N 1.180 121.289 120.200 -0.152 0.000 2.106 457 E HA -0.150 4.200 4.350 0.000 0.000 0.192 457 E C 2.106 178.660 176.600 -0.076 0.000 0.984 457 E CA 1.482 57.839 56.400 -0.072 0.000 0.806 457 E CB 0.015 29.695 29.700 -0.033 0.000 0.750 457 E HN 0.842 nan 8.360 nan 0.000 0.458 458 S N 1.378 116.997 115.700 -0.135 0.000 2.370 458 S HA -0.127 4.343 4.470 0.000 0.000 0.226 458 S C 2.293 176.827 174.600 -0.111 0.000 1.033 458 S CA 1.249 59.399 58.200 -0.082 0.000 1.011 458 S CB -0.325 62.827 63.200 -0.081 0.000 0.852 458 S HN 0.263 nan 8.310 nan 0.000 0.457 459 A N 1.923 124.445 122.820 -0.497 0.000 1.933 459 A HA 0.239 4.559 4.320 0.000 0.000 0.218 459 A C 2.391 179.863 177.584 -0.187 0.000 1.175 459 A CA 1.511 53.136 52.037 -0.688 0.000 0.628 459 A CB -1.733 16.517 19.000 -1.251 0.000 0.814 459 A HN 0.661 nan 8.150 nan 0.000 0.444 460 G N -1.457 107.282 108.800 -0.102 0.000 2.421 460 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 460 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 460 G C 1.557 176.477 174.900 0.034 0.000 1.171 460 G CA 1.288 46.412 45.100 0.039 0.000 0.775 460 G HN 0.593 nan 8.290 nan 0.000 0.543 461 Y N 0.130 120.403 120.300 -0.045 0.000 2.114 461 Y HA -0.189 4.361 4.550 0.000 0.000 0.284 461 Y C 2.514 178.370 175.900 -0.074 0.000 1.143 461 Y CA 1.773 59.824 58.100 -0.081 0.000 1.135 461 Y CB -0.626 37.810 38.460 -0.039 0.000 0.980 461 Y HN 0.247 nan 8.280 nan 0.000 0.499 462 Y N 0.494 120.771 120.300 -0.038 0.000 2.069 462 Y HA -0.354 4.196 4.550 0.000 0.000 0.278 462 Y C 2.133 177.873 175.900 -0.267 0.000 1.175 462 Y CA 2.473 60.516 58.100 -0.096 0.000 1.134 462 Y CB -0.710 37.850 38.460 0.167 0.000 0.965 462 Y HN 0.202 nan 8.280 nan 0.000 0.498 463 L N 0.075 121.314 121.223 0.026 0.000 2.093 463 L HA -0.191 4.149 4.340 0.000 0.000 0.208 463 L C 2.592 179.304 176.870 -0.264 0.000 1.085 463 L CA 1.653 56.411 54.840 -0.138 0.000 0.755 463 L CB -0.613 41.302 42.059 -0.240 0.000 0.904 463 L HN 0.149 nan 8.230 nan 0.000 0.435 464 K N -0.046 120.091 120.400 -0.438 0.000 2.044 464 K HA -0.237 4.083 4.320 0.000 0.000 0.210 464 K C 2.175 178.457 176.600 -0.530 0.000 1.049 464 K CA 1.624 57.450 56.287 -0.769 0.000 0.927 464 K CB 0.047 31.837 32.500 -1.183 0.000 0.713 464 K HN 0.152 nan 8.250 nan 0.000 0.443 465 M N 0.183 119.435 119.600 -0.579 0.000 2.236 465 M HA -0.075 4.405 4.480 0.000 0.000 0.266 465 M C 2.237 178.325 176.300 -0.354 0.000 1.070 465 M CA 0.876 55.877 55.300 -0.497 0.000 1.137 465 M CB -0.444 31.760 32.600 -0.661 0.000 1.378 465 M HN 0.005 nan 8.290 nan 0.000 0.426 466 V N 0.732 120.396 119.914 -0.416 0.000 2.343 466 V HA -0.245 3.875 4.120 0.000 0.000 0.247 466 V C 2.423 178.422 176.094 -0.157 0.000 1.051 466 V CA 1.513 63.607 62.300 -0.343 0.000 1.036 466 V CB -0.585 30.896 31.823 -0.570 0.000 0.654 466 V HN 0.340 nan 8.190 nan 0.000 0.451 467 I N 0.443 120.933 120.570 -0.133 0.000 2.179 467 I HA -0.234 3.936 4.170 0.000 0.000 0.242 467 I C 2.678 178.781 176.117 -0.024 0.000 1.088 467 I CA 1.515 62.801 61.300 -0.023 0.000 1.357 467 I CB -0.580 37.451 38.000 0.052 0.000 1.051 467 I HN 0.289 nan 8.210 nan 0.000 0.409 468 A N -0.026 122.753 122.820 -0.068 0.000 1.902 468 A HA -0.307 4.013 4.320 0.000 0.000 0.217 468 A C 2.169 179.739 177.584 -0.024 0.000 1.181 468 A CA 2.058 54.068 52.037 -0.046 0.000 0.623 468 A CB -0.973 17.977 19.000 -0.084 0.000 0.818 468 A HN 0.497 nan 8.150 nan 0.000 0.443 469 H N 0.031 119.020 119.070 -0.134 0.000 2.319 469 H HA -0.102 4.454 4.556 0.000 0.000 0.299 469 H C 2.196 177.450 175.328 -0.123 0.000 1.092 469 H CA 2.447 58.420 56.048 -0.124 0.000 1.302 469 H CB -0.422 29.252 29.762 -0.146 0.000 1.373 469 H HN 0.404 nan 8.280 nan 0.000 0.497 470 T N 0.654 115.142 114.554 -0.110 0.000 2.684 470 T HA -0.144 4.206 4.350 0.000 0.000 0.267 470 T C 1.909 176.508 174.700 -0.167 0.000 1.036 470 T CA 1.708 63.682 62.100 -0.209 0.000 1.148 470 T CB -0.127 68.649 68.868 -0.154 0.000 0.863 470 T HN 0.371 nan 8.240 nan 0.000 0.436 471 K N 1.403 121.765 120.400 -0.064 0.000 2.103 471 K HA -0.111 4.209 4.320 0.000 0.000 0.207 471 K C 2.737 179.302 176.600 -0.059 0.000 1.048 471 K CA 1.659 57.936 56.287 -0.016 0.000 0.930 471 K CB -0.266 32.244 32.500 0.017 0.000 0.716 471 K HN 0.457 nan 8.250 nan 0.000 0.444 472 S N 0.770 116.403 115.700 -0.112 0.000 2.453 472 S HA -0.039 4.431 4.470 0.000 0.000 0.231 472 S C 1.879 176.379 174.600 -0.167 0.000 1.005 472 S CA 0.648 58.772 58.200 -0.126 0.000 0.949 472 S CB -0.255 62.864 63.200 -0.134 0.000 0.774 472 S HN 0.198 nan 8.310 nan 0.000 0.510 473 L N 0.491 121.573 121.223 -0.235 0.000 2.307 473 L HA 0.306 4.646 4.340 0.000 0.000 0.211 473 L C 0.320 177.113 176.870 -0.129 0.000 1.099 473 L CA 0.602 55.305 54.840 -0.229 0.000 0.816 473 L CB -0.087 41.772 42.059 -0.333 0.000 0.952 473 L HN 0.299 nan 8.230 nan 0.000 0.455 474 D N -0.469 119.887 120.400 -0.073 0.000 2.479 474 D HA 0.178 4.818 4.640 0.000 0.000 0.246 474 D C -1.993 174.343 176.300 0.061 0.000 1.336 474 D CA -1.770 52.252 54.000 0.036 0.000 0.967 474 D CB 1.754 42.661 40.800 0.179 0.000 1.275 474 D HN -0.206 nan 8.370 nan 0.000 0.577 475 P HA -0.009 nan 4.420 nan 0.000 0.241 475 P C 0.711 178.024 177.300 0.022 0.000 1.191 475 P CA 0.358 63.468 63.100 0.016 0.000 0.771 475 P CB 0.288 31.983 31.700 -0.007 0.000 0.929 476 S N -1.713 114.010 115.700 0.038 0.000 2.517 476 S HA 0.203 4.673 4.470 0.000 0.000 0.214 476 S C 0.934 175.523 174.600 -0.017 0.000 0.991 476 S CA -0.430 57.769 58.200 -0.001 0.000 0.906 476 S CB -0.020 63.171 63.200 -0.015 0.000 0.789 476 S HN 0.042 nan 8.310 nan 0.000 0.513 477 R N 1.579 122.103 120.500 0.040 0.000 2.750 477 R HA 0.570 4.910 4.340 0.000 0.000 0.281 477 R C -3.011 173.325 176.300 0.060 0.000 0.972 477 R CA -2.303 53.788 56.100 -0.014 0.000 0.912 477 R CB 1.361 31.564 30.300 -0.161 0.000 1.187 477 R HN 0.181 nan 8.270 nan 0.000 0.464 478 P HA 0.155 nan 4.420 nan 0.000 0.272 478 P C -0.765 176.636 177.300 0.169 0.000 1.240 478 P CA -0.305 62.846 63.100 0.085 0.000 0.791 478 P CB 0.812 32.554 31.700 0.069 0.000 0.978 479 V N -0.182 119.844 119.914 0.187 0.000 2.789 479 V HA 0.671 4.791 4.120 0.000 0.000 0.311 479 V C 0.248 176.454 176.094 0.186 0.000 1.073 479 V CA -0.315 62.125 62.300 0.234 0.000 0.921 479 V CB 1.863 33.827 31.823 0.235 0.000 1.009 479 V HN 0.813 nan 8.190 nan 0.000 0.426 480 T N 2.655 117.325 114.554 0.192 0.000 2.754 480 T HA 0.842 5.192 4.350 0.000 0.000 0.296 480 T C -1.921 172.931 174.700 0.254 0.000 1.205 480 T CA -0.400 61.789 62.100 0.147 0.000 1.009 480 T CB 1.688 70.572 68.868 0.027 0.000 1.368 480 T HN 0.849 nan 8.240 nan 0.000 0.509 481 F N 0.127 120.126 119.950 0.081 0.000 2.613 481 F HA 0.844 5.371 4.527 0.000 0.000 0.310 481 F C -1.553 174.284 175.800 0.062 0.000 1.085 481 F CA -1.183 56.873 58.000 0.093 0.000 0.945 481 F CB 0.883 39.956 39.000 0.122 0.000 1.298 481 F HN 0.317 nan 8.300 nan 0.000 0.455 482 V N 2.386 122.338 119.914 0.063 0.000 2.432 482 V HA 0.539 4.659 4.120 0.000 0.000 0.275 482 V C -0.152 175.968 176.094 0.044 0.000 1.043 482 V CA -0.265 62.003 62.300 -0.052 0.000 0.925 482 V CB 0.934 32.792 31.823 0.058 0.000 0.985 482 V HN 0.903 nan 8.190 nan 0.000 0.466 483 S N 3.104 118.745 115.700 -0.099 0.000 2.513 483 S HA 0.470 4.940 4.470 0.000 0.000 0.299 483 S C 0.360 175.034 174.600 0.124 0.000 1.087 483 S CA -0.762 57.491 58.200 0.088 0.000 1.012 483 S CB 1.098 64.290 63.200 -0.014 0.000 1.044 483 S HN 0.912 nan 8.310 nan 0.000 0.485 484 N N 1.960 120.797 118.700 0.229 0.000 2.275 484 N HA 0.182 4.922 4.740 0.000 0.000 0.236 484 N C -0.391 175.306 175.510 0.310 0.000 1.154 484 N CA -0.403 52.794 53.050 0.245 0.000 0.866 484 N CB 0.234 38.852 38.487 0.219 0.000 1.093 484 N HN 0.242 nan 8.380 nan 0.000 0.515 485 S N 0.772 116.704 115.700 0.387 0.000 2.614 485 S HA 0.110 4.580 4.470 0.000 0.000 0.265 485 S C 0.141 175.012 174.600 0.451 0.000 1.303 485 S CA -0.756 57.681 58.200 0.394 0.000 1.000 485 S CB 0.751 64.207 63.200 0.426 0.000 0.935 485 S HN 0.444 nan 8.310 nan 0.000 0.551 486 N N 0.953 119.811 118.700 0.263 0.000 2.513 486 N HA -0.035 4.705 4.740 0.000 0.000 0.268 486 N C 1.126 176.606 175.510 -0.050 0.000 1.180 486 N CA -0.122 53.024 53.050 0.160 0.000 0.948 486 N CB 0.358 38.857 38.487 0.020 0.000 1.083 486 N HN 0.773 nan 8.380 nan 0.000 0.455 487 Y N 3.269 123.297 120.300 -0.453 0.000 2.193 487 Y HA -0.120 4.430 4.550 0.000 0.000 0.285 487 Y C 1.891 177.455 175.900 -0.560 0.000 1.166 487 Y CA 1.589 58.921 58.100 -1.280 0.000 1.181 487 Y CB -0.727 36.753 38.460 -1.633 0.000 0.976 487 Y HN 0.521 nan 8.280 nan 0.000 0.520 488 A N 0.535 122.605 122.820 -1.250 0.000 2.067 488 A HA 0.323 4.643 4.320 0.000 0.000 0.217 488 A C 2.254 179.622 177.584 -0.360 0.000 1.156 488 A CA 1.085 52.594 52.037 -0.879 0.000 0.683 488 A CB -0.948 17.484 19.000 -0.946 0.000 0.808 488 A HN 0.692 nan 8.150 nan 0.000 0.455 489 A N -1.067 121.616 122.820 -0.228 0.000 2.197 489 A HA 0.178 4.498 4.320 0.000 0.000 0.210 489 A C 0.685 178.310 177.584 0.068 0.000 1.180 489 A CA 0.231 52.237 52.037 -0.051 0.000 0.846 489 A CB -0.048 18.946 19.000 -0.010 0.000 0.884 489 A HN 0.292 nan 8.150 nan 0.000 0.487 490 D N 1.012 121.478 120.400 0.110 0.000 2.349 490 D HA 0.069 4.709 4.640 0.000 0.000 0.266 490 D C 0.539 176.981 176.300 0.236 0.000 1.293 490 D CA 0.131 54.284 54.000 0.255 0.000 0.926 490 D CB 0.656 41.717 40.800 0.435 0.000 1.090 490 D HN 0.024 nan 8.370 nan 0.000 0.502 491 K N 2.340 122.853 120.400 0.188 0.000 2.418 491 K HA 0.054 4.374 4.320 0.000 0.000 0.195 491 K C 1.607 178.366 176.600 0.265 0.000 1.035 491 K CA 0.246 56.639 56.287 0.176 0.000 1.003 491 K CB 0.372 32.929 32.500 0.095 0.000 0.793 491 K HN 0.456 nan 8.250 nan 0.000 0.494 492 G N 0.602 109.588 108.800 0.310 0.000 2.744 492 G HA2 0.012 3.972 3.960 0.000 0.000 0.211 492 G HA3 0.012 3.972 3.960 0.000 0.000 0.211 492 G C 1.595 176.823 174.900 0.547 0.000 1.146 492 G CA 0.531 45.892 45.100 0.435 0.000 0.787 492 G HN 0.262 nan 8.290 nan 0.000 0.534 493 A N 1.965 124.989 122.820 0.340 0.000 1.948 493 A HA 0.006 4.326 4.320 0.000 0.000 0.220 493 A C 0.589 177.963 177.584 -0.350 0.000 1.177 493 A CA 1.808 53.817 52.037 -0.046 0.000 0.636 493 A CB -1.131 17.753 19.000 -0.195 0.000 0.815 493 A HN 0.347 nan 8.150 nan 0.000 0.449 494 P HA -0.138 nan 4.420 nan 0.000 0.219 494 P C 0.418 177.460 177.300 -0.429 0.000 1.146 494 P CA 1.077 63.953 63.100 -0.373 0.000 0.808 494 P CB -0.156 31.209 31.700 -0.557 0.000 0.779 495 Y N -1.576 118.776 120.300 0.086 0.000 2.482 495 Y HA 0.088 4.638 4.550 0.000 0.000 0.270 495 Y C 1.358 177.314 175.900 0.095 0.000 1.152 495 Y CA -0.561 57.592 58.100 0.088 0.000 1.292 495 Y CB -0.853 37.657 38.460 0.084 0.000 1.070 495 Y HN -0.199 nan 8.280 nan 0.000 0.528 496 V N -2.028 117.986 119.914 0.168 0.000 2.732 496 V HA 0.229 4.349 4.120 0.000 0.000 0.297 496 V C 0.594 176.732 176.094 0.074 0.000 1.060 496 V CA -0.636 61.738 62.300 0.123 0.000 1.038 496 V CB 1.400 33.235 31.823 0.020 0.000 1.003 496 V HN 0.040 nan 8.190 nan 0.000 0.481 497 D N 2.015 122.471 120.400 0.093 0.000 2.249 497 D HA 0.129 4.769 4.640 0.000 0.000 0.205 497 D C 0.383 176.743 176.300 0.100 0.000 0.962 497 D CA 1.056 55.110 54.000 0.090 0.000 0.860 497 D CB 0.567 41.425 40.800 0.096 0.000 0.955 497 D HN 0.467 nan 8.370 nan 0.000 0.505 498 V N 1.417 121.383 119.914 0.087 0.000 2.686 498 V HA 0.298 4.418 4.120 0.000 0.000 0.306 498 V C -0.145 175.931 176.094 -0.029 0.000 1.065 498 V CA -0.812 61.539 62.300 0.085 0.000 0.894 498 V CB 2.753 34.666 31.823 0.150 0.000 1.004 498 V HN -0.119 nan 8.190 nan 0.000 0.424 499 I N 3.664 124.207 120.570 -0.045 0.000 2.396 499 I HA 0.252 4.422 4.170 0.000 0.000 0.289 499 I C -0.251 175.731 176.117 -0.226 0.000 1.056 499 I CA 0.177 61.365 61.300 -0.186 0.000 1.365 499 I CB 0.621 38.532 38.000 -0.148 0.000 1.407 499 I HN 0.535 nan 8.210 nan 0.000 0.509 500 C N 7.757 126.865 119.300 -0.321 0.000 2.281 500 C HA 0.559 5.019 4.460 0.000 0.000 0.323 500 C C 0.070 174.876 174.990 -0.307 0.000 1.270 500 C CA -0.725 58.133 59.018 -0.267 0.000 1.559 500 C CB -0.071 27.534 27.740 -0.224 0.000 2.239 500 C HN 0.559 nan 8.230 nan 0.000 0.488 501 L N 4.454 125.536 121.223 -0.235 0.000 2.333 501 L HA 0.472 4.812 4.340 0.000 0.000 0.280 501 L C -0.634 176.195 176.870 -0.069 0.000 1.004 501 L CA -0.332 54.370 54.840 -0.230 0.000 0.820 501 L CB 1.219 43.089 42.059 -0.314 0.000 1.247 501 L HN 0.609 nan 8.230 nan 0.000 0.416 502 N N 2.178 120.871 118.700 -0.012 0.000 2.426 502 N HA 0.511 5.251 4.740 0.000 0.000 0.275 502 N C -0.710 174.828 175.510 0.046 0.000 1.019 502 N CA -0.316 52.752 53.050 0.030 0.000 0.941 502 N CB 1.947 40.511 38.487 0.128 0.000 1.123 502 N HN 0.662 nan 8.380 nan 0.000 0.486 503 S N 0.892 116.531 115.700 -0.102 0.000 2.541 503 S HA 0.566 5.036 4.470 0.000 0.000 0.271 503 S C -1.465 172.958 174.600 -0.295 0.000 1.133 503 S CA -0.748 57.365 58.200 -0.145 0.000 0.876 503 S CB 1.039 63.997 63.200 -0.402 0.000 1.105 503 S HN 0.434 nan 8.310 nan 0.000 0.470 504 Y N 0.619 120.891 120.300 -0.047 0.000 2.501 504 Y HA 0.373 4.923 4.550 0.000 0.000 0.331 504 Y C -0.898 175.119 175.900 0.195 0.000 0.950 504 Y CA -0.996 57.152 58.100 0.079 0.000 1.120 504 Y CB 0.037 38.517 38.460 0.034 0.000 1.154 504 Y HN 0.667 nan 8.280 nan 0.000 0.630 505 Y N 0.707 121.390 120.300 0.638 0.000 2.712 505 Y HA 0.092 4.642 4.550 0.000 0.000 0.333 505 Y C 1.606 177.780 175.900 0.458 0.000 1.225 505 Y CA 0.747 59.158 58.100 0.518 0.000 1.499 505 Y CB 0.616 39.265 38.460 0.315 0.000 1.288 505 Y HN 0.563 nan 8.280 nan 0.000 0.575 506 S N 0.223 116.261 115.700 0.564 0.000 2.608 506 S HA -0.267 4.203 4.470 0.000 0.000 0.256 506 S C 1.028 175.889 174.600 0.435 0.000 1.270 506 S CA 1.225 59.709 58.200 0.473 0.000 1.465 506 S CB -2.081 61.413 63.200 0.490 0.000 1.833 506 S HN 0.925 nan 8.310 nan 0.000 0.641 507 W N 0.824 122.264 121.300 0.233 0.000 2.846 507 W HA 0.275 4.935 4.660 0.000 0.000 0.273 507 W C 1.439 177.967 176.519 0.016 0.000 1.081 507 W CA 1.196 58.567 57.345 0.043 0.000 1.692 507 W CB -0.038 29.350 29.460 -0.120 0.000 1.106 507 W HN 0.400 nan 8.180 nan 0.000 0.577 508 Y N 0.597 120.900 120.300 0.006 0.000 2.511 508 Y HA 0.059 4.609 4.550 0.000 0.000 0.279 508 Y C -0.153 175.604 175.900 -0.239 0.000 1.157 508 Y CA 0.839 58.857 58.100 -0.136 0.000 1.300 508 Y CB -0.584 37.773 38.460 -0.172 0.000 1.052 508 Y HN 0.038 nan 8.280 nan 0.000 0.529 509 H N -4.541 114.694 119.070 0.275 0.000 3.037 509 H HA 0.329 4.885 4.556 0.000 0.000 0.355 509 H C -0.806 174.451 175.328 -0.119 0.000 1.263 509 H CA -1.964 54.038 56.048 -0.077 0.000 1.129 509 H CB 0.423 30.230 29.762 0.075 0.000 1.861 509 H HN -0.209 nan 8.280 nan 0.000 0.546 510 D N 0.271 120.565 120.400 -0.177 0.000 2.737 510 D HA -0.205 4.435 4.640 0.000 0.000 0.238 510 D C -0.894 175.493 176.300 0.146 0.000 1.157 510 D CA 0.627 54.595 54.000 -0.054 0.000 0.694 510 D CB -1.264 39.569 40.800 0.055 0.000 1.021 510 D HN 0.407 nan 8.370 nan 0.000 0.420 511 Y N 0.480 120.879 120.300 0.164 0.000 2.802 511 Y HA 0.242 4.792 4.550 0.000 0.000 0.333 511 Y C 2.089 178.049 175.900 0.100 0.000 1.244 511 Y CA 0.838 58.954 58.100 0.027 0.000 1.558 511 Y CB -0.046 38.356 38.460 -0.096 0.000 1.233 511 Y HN 0.397 nan 8.280 nan 0.000 0.547 512 G N 1.589 110.526 108.800 0.227 0.000 2.199 512 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 512 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 512 G C 0.166 175.214 174.900 0.247 0.000 0.982 512 G CA -0.100 45.126 45.100 0.209 0.000 0.632 512 G HN 0.769 nan 8.290 nan 0.000 0.529 513 H N 1.125 120.352 119.070 0.262 0.000 2.998 513 H HA 0.354 4.910 4.556 0.000 0.000 0.241 513 H C 1.962 177.396 175.328 0.178 0.000 1.852 513 H CA 0.178 56.337 56.048 0.186 0.000 1.419 513 H CB -0.065 29.773 29.762 0.126 0.000 1.793 513 H HN 0.303 nan 8.280 nan 0.000 0.553 514 L N 1.124 122.463 121.223 0.194 0.000 2.187 514 L HA -0.194 4.146 4.340 0.000 0.000 0.213 514 L C 2.633 179.552 176.870 0.082 0.000 1.100 514 L CA 1.104 55.997 54.840 0.088 0.000 0.765 514 L CB -0.128 41.900 42.059 -0.052 0.000 0.904 514 L HN 0.505 nan 8.230 nan 0.000 0.437 515 E N 0.942 121.203 120.200 0.102 0.000 2.409 515 E HA -0.177 4.173 4.350 0.000 0.000 0.198 515 E C 1.738 178.375 176.600 0.061 0.000 1.024 515 E CA 1.050 57.495 56.400 0.074 0.000 0.861 515 E CB -0.148 29.605 29.700 0.087 0.000 0.788 515 E HN 0.572 nan 8.360 nan 0.000 0.521 516 L N 0.230 121.505 121.223 0.086 0.000 2.585 516 L HA 0.212 4.552 4.340 0.000 0.000 0.226 516 L C 2.338 179.187 176.870 -0.034 0.000 1.113 516 L CA -0.105 54.752 54.840 0.029 0.000 0.876 516 L CB -0.097 41.993 42.059 0.052 0.000 1.072 516 L HN 0.001 nan 8.230 nan 0.000 0.468 517 I N -0.195 120.370 120.570 -0.007 0.000 2.202 517 I HA -0.277 3.893 4.170 0.000 0.000 0.242 517 I C 2.527 178.531 176.117 -0.188 0.000 1.091 517 I CA 1.415 62.673 61.300 -0.070 0.000 1.368 517 I CB -0.130 37.842 38.000 -0.047 0.000 1.058 517 I HN 0.348 nan 8.210 nan 0.000 0.410 518 Q N 0.114 119.836 119.800 -0.129 0.000 2.084 518 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 518 Q C 2.295 178.223 176.000 -0.121 0.000 0.978 518 Q CA 1.386 57.119 55.803 -0.116 0.000 0.844 518 Q CB -0.187 28.515 28.738 -0.061 0.000 0.898 518 Q HN 0.365 nan 8.270 nan 0.000 0.426 519 L N 1.027 122.180 121.223 -0.117 0.000 2.017 519 L HA -0.233 4.108 4.340 0.000 0.000 0.208 519 L C 2.104 178.856 176.870 -0.197 0.000 1.073 519 L CA 1.869 56.638 54.840 -0.119 0.000 0.745 519 L CB -0.342 41.659 42.059 -0.096 0.000 0.894 519 L HN 0.169 nan 8.230 nan 0.000 0.432 520 Q N -1.318 118.284 119.800 -0.330 0.000 2.167 520 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 520 Q C 2.151 177.797 176.000 -0.589 0.000 0.970 520 Q CA 1.288 56.743 55.803 -0.580 0.000 0.855 520 Q CB -0.219 27.922 28.738 -0.995 0.000 0.911 520 Q HN 0.393 nan 8.270 nan 0.000 0.438 521 L N 0.535 121.491 121.223 -0.446 0.000 2.072 521 L HA -0.060 4.281 4.340 0.000 0.000 0.205 521 L C 2.156 178.886 176.870 -0.234 0.000 1.079 521 L CA 1.758 56.414 54.840 -0.307 0.000 0.752 521 L CB -0.843 41.048 42.059 -0.280 0.000 0.906 521 L HN 0.113 nan 8.230 nan 0.000 0.436 522 A N -1.651 121.122 122.820 -0.078 0.000 1.883 522 A HA -0.226 4.094 4.320 0.000 0.000 0.217 522 A C 2.283 179.895 177.584 0.048 0.000 1.186 522 A CA 2.405 54.479 52.037 0.062 0.000 0.624 522 A CB -1.184 17.834 19.000 0.029 0.000 0.822 522 A HN 0.459 nan 8.150 nan 0.000 0.444 523 T N -0.422 114.104 114.554 -0.047 0.000 2.684 523 T HA -0.220 4.130 4.350 0.000 0.000 0.267 523 T C 2.071 176.754 174.700 -0.028 0.000 1.036 523 T CA 1.641 63.710 62.100 -0.051 0.000 1.148 523 T CB -0.319 68.491 68.868 -0.097 0.000 0.863 523 T HN 0.651 nan 8.240 nan 0.000 0.436 524 Q N -0.175 119.602 119.800 -0.038 0.000 1.998 524 Q HA -0.198 4.142 4.340 0.000 0.000 0.209 524 Q C 2.019 178.166 176.000 0.245 0.000 1.002 524 Q CA 1.976 57.834 55.803 0.090 0.000 0.858 524 Q CB -0.304 28.419 28.738 -0.025 0.000 0.932 524 Q HN 0.472 nan 8.270 nan 0.000 0.416 525 F N 1.308 121.428 119.950 0.282 0.000 2.102 525 F HA -0.182 4.345 4.527 0.000 0.000 0.298 525 F C 2.510 178.520 175.800 0.350 0.000 1.105 525 F CA 1.353 59.568 58.000 0.358 0.000 1.239 525 F CB -0.719 38.463 39.000 0.302 0.000 0.991 525 F HN 0.196 nan 8.300 nan 0.000 0.474 526 E N 0.296 120.739 120.200 0.405 0.000 2.058 526 E HA -0.194 4.156 4.350 0.000 0.000 0.194 526 E C 1.883 178.534 176.600 0.085 0.000 0.997 526 E CA 1.264 57.810 56.400 0.242 0.000 0.801 526 E CB -0.956 28.825 29.700 0.133 0.000 0.746 526 E HN 0.393 nan 8.360 nan 0.000 0.450 527 N N 0.257 118.902 118.700 -0.091 0.000 2.084 527 N HA -0.149 4.591 4.740 0.000 0.000 0.190 527 N C 1.730 177.010 175.510 -0.384 0.000 1.030 527 N CA 1.025 53.750 53.050 -0.541 0.000 0.849 527 N CB -0.605 37.147 38.487 -1.225 0.000 1.012 527 N HN 0.279 nan 8.380 nan 0.000 0.423 528 W N 0.217 121.477 121.300 -0.068 0.000 2.379 528 W HA -0.093 4.567 4.660 0.000 0.000 0.307 528 W C 2.228 178.854 176.519 0.178 0.000 1.200 528 W CA 0.616 58.069 57.345 0.181 0.000 1.297 528 W CB -0.744 28.888 29.460 0.286 0.000 1.140 528 W HN 0.108 nan 8.180 nan 0.000 0.507 529 Y N 1.229 121.652 120.300 0.205 0.000 2.263 529 Y HA -0.163 4.387 4.550 0.000 0.000 0.292 529 Y C 2.504 178.349 175.900 -0.092 0.000 1.130 529 Y CA 1.934 59.982 58.100 -0.087 0.000 1.179 529 Y CB -0.504 37.531 38.460 -0.710 0.000 0.998 529 Y HN -0.152 nan 8.280 nan 0.000 0.532 530 K N 0.432 120.827 120.400 -0.008 0.000 2.063 530 K HA -0.272 4.048 4.320 0.000 0.000 0.208 530 K C 2.235 178.737 176.600 -0.163 0.000 1.048 530 K CA 1.925 58.164 56.287 -0.080 0.000 0.928 530 K CB -0.154 32.319 32.500 -0.044 0.000 0.713 530 K HN 0.238 nan 8.250 nan 0.000 0.442 531 K N -1.068 119.228 120.400 -0.173 0.000 2.062 531 K HA -0.122 4.198 4.320 0.000 0.000 0.205 531 K C 1.371 177.634 176.600 -0.561 0.000 1.051 531 K CA 1.362 57.427 56.287 -0.370 0.000 0.941 531 K CB 0.074 32.310 32.500 -0.440 0.000 0.719 531 K HN 0.159 nan 8.250 nan 0.000 0.440 532 Y N 0.173 120.426 120.300 -0.078 0.000 2.535 532 Y HA 0.197 4.747 4.550 0.000 0.000 0.264 532 Y C -0.030 175.723 175.900 -0.246 0.000 1.087 532 Y CA -0.172 57.877 58.100 -0.086 0.000 1.285 532 Y CB 0.535 39.039 38.460 0.073 0.000 1.200 532 Y HN 0.030 nan 8.280 nan 0.000 0.514 533 Q N 0.762 120.268 119.800 -0.490 0.000 2.439 533 Q HA -0.258 4.083 4.340 0.000 0.000 0.325 533 Q C -0.640 175.167 176.000 -0.320 0.000 1.372 533 Q CA 0.780 56.059 55.803 -0.872 0.000 0.909 533 Q CB -1.506 26.958 28.738 -0.456 0.000 1.167 533 Q HN 0.377 nan 8.270 nan 0.000 0.418 534 K N -0.006 120.336 120.400 -0.096 0.000 2.426 534 K HA 0.514 4.834 4.320 0.000 0.000 0.251 534 K C -2.653 174.165 176.600 0.364 0.000 0.941 534 K CA -2.356 54.032 56.287 0.168 0.000 0.808 534 K CB 1.949 34.528 32.500 0.132 0.000 1.265 534 K HN -0.211 nan 8.250 nan 0.000 0.432 535 P HA 0.085 nan 4.420 nan 0.000 0.267 535 P C -0.846 176.614 177.300 0.266 0.000 1.200 535 P CA 0.178 63.482 63.100 0.340 0.000 0.772 535 P CB 0.439 32.324 31.700 0.308 0.000 0.855 536 I N 3.104 123.829 120.570 0.259 0.000 2.474 536 I HA 0.410 4.580 4.170 0.000 0.000 0.294 536 I C 0.120 176.278 176.117 0.070 0.000 1.005 536 I CA -0.722 60.681 61.300 0.172 0.000 1.113 536 I CB 1.473 39.653 38.000 0.299 0.000 1.289 536 I HN 0.116 nan 8.210 nan 0.000 0.436 537 I N 4.657 125.216 120.570 -0.019 0.000 2.404 537 I HA 0.206 4.376 4.170 0.000 0.000 0.293 537 I C -0.238 175.878 176.117 -0.001 0.000 0.992 537 I CA -0.758 60.490 61.300 -0.086 0.000 1.149 537 I CB 1.896 39.731 38.000 -0.275 0.000 1.315 537 I HN 0.503 nan 8.210 nan 0.000 0.446 538 Q N 3.887 123.742 119.800 0.091 0.000 2.402 538 Q HA 0.132 4.472 4.340 0.000 0.000 0.238 538 Q C 0.620 176.682 176.000 0.103 0.000 1.126 538 Q CA -0.100 55.801 55.803 0.162 0.000 0.904 538 Q CB 0.728 29.641 28.738 0.291 0.000 1.357 538 Q HN 0.731 nan 8.270 nan 0.000 0.491 539 S N 2.110 117.830 115.700 0.034 0.000 2.501 539 S HA 0.170 4.640 4.470 0.000 0.000 0.220 539 S C -0.014 174.648 174.600 0.103 0.000 0.997 539 S CA 0.062 58.274 58.200 0.019 0.000 0.919 539 S CB 0.231 63.408 63.200 -0.038 0.000 0.778 539 S HN 0.624 nan 8.310 nan 0.000 0.523 540 E N 0.000 120.249 120.200 0.081 0.000 2.343 540 E HA 0.576 4.926 4.350 0.000 0.000 0.278 540 E C -1.768 174.705 176.600 -0.212 0.000 0.910 540 E CA -0.969 55.445 56.400 0.024 0.000 0.757 540 E CB 2.280 32.001 29.700 0.036 0.000 1.218 540 E HN 0.468 nan 8.360 nan 0.000 0.435 541 Y N -0.597 119.405 120.300 -0.497 0.000 2.641 541 Y HA 0.779 5.329 4.550 0.000 0.000 0.333 541 Y C -0.423 175.188 175.900 -0.482 0.000 1.174 541 Y CA -0.533 57.003 58.100 -0.941 0.000 1.057 541 Y CB 1.370 39.105 38.460 -1.207 0.000 1.322 541 Y HN 0.731 nan 8.280 nan 0.000 0.457 542 G N 0.192 108.740 108.800 -0.420 0.000 2.327 542 G HA2 0.675 4.635 3.960 0.000 0.000 0.291 542 G HA3 0.675 4.635 3.960 0.000 0.000 0.291 542 G C -2.181 172.599 174.900 -0.201 0.000 1.290 542 G CA -0.275 44.691 45.100 -0.223 0.000 0.857 542 G HN 1.713 nan 8.290 nan 0.000 0.520 543 A N -0.377 122.201 122.820 -0.403 0.000 2.488 543 A HA 0.743 5.063 4.320 0.000 0.000 0.298 543 A C -0.523 176.481 177.584 -0.967 0.000 1.044 543 A CA -0.555 50.931 52.037 -0.918 0.000 0.693 543 A CB 1.470 20.282 19.000 -0.314 0.000 1.272 543 A HN 0.550 nan 8.150 nan 0.000 0.402 544 E N 1.322 120.561 120.200 -1.602 0.000 2.415 544 E HA 0.325 4.675 4.350 0.000 0.000 0.263 544 E C -0.628 175.727 176.600 -0.408 0.000 0.995 544 E CA 0.658 56.623 56.400 -0.725 0.000 0.915 544 E CB 0.648 30.114 29.700 -0.389 0.000 0.951 544 E HN 0.491 nan 8.360 nan 0.000 0.449 545 T N 3.556 118.019 114.554 -0.151 0.000 3.170 545 T HA 0.254 4.604 4.350 0.000 0.000 0.315 545 T C -0.097 174.566 174.700 -0.061 0.000 0.967 545 T CA -0.683 61.379 62.100 -0.062 0.000 1.024 545 T CB 0.529 69.344 68.868 -0.087 0.000 1.018 545 T HN 0.197 nan 8.240 nan 0.000 0.449 546 I N 2.917 123.424 120.570 -0.106 0.000 2.322 546 I HA 0.365 4.535 4.170 0.000 0.000 0.292 546 I C 1.170 177.213 176.117 -0.123 0.000 1.060 546 I CA -0.983 60.157 61.300 -0.267 0.000 1.309 546 I CB -0.280 37.207 38.000 -0.856 0.000 1.415 546 I HN 0.755 nan 8.210 nan 0.000 0.492 547 A N 4.976 127.763 122.820 -0.055 0.000 2.580 547 A HA 0.378 4.698 4.320 0.000 0.000 0.244 547 A C 1.418 179.056 177.584 0.090 0.000 1.045 547 A CA 0.873 52.915 52.037 0.008 0.000 0.761 547 A CB -0.428 18.582 19.000 0.016 0.000 0.962 547 A HN 1.377 nan 8.150 nan 0.000 0.512 548 G N 1.386 110.225 108.800 0.065 0.000 2.213 548 G HA2 -0.207 3.753 3.960 0.000 0.000 0.236 548 G HA3 -0.207 3.753 3.960 0.000 0.000 0.236 548 G C 0.006 174.990 174.900 0.140 0.000 0.991 548 G CA 0.133 45.313 45.100 0.134 0.000 0.629 548 G HN 0.718 nan 8.290 nan 0.000 0.517 549 F N 3.394 123.248 119.950 -0.161 0.000 2.472 549 F HA 0.531 5.058 4.527 0.000 0.000 0.364 549 F C 0.937 176.582 175.800 -0.258 0.000 1.090 549 F CA -0.514 57.425 58.000 -0.103 0.000 1.188 549 F CB 0.464 39.458 39.000 -0.011 0.000 1.105 549 F HN 0.100 nan 8.300 nan 0.000 0.536 550 H N 2.869 122.013 119.070 0.124 0.000 2.600 550 H HA 0.495 5.051 4.556 0.000 0.000 0.357 550 H C -0.937 174.436 175.328 0.075 0.000 1.106 550 H CA -0.725 55.384 56.048 0.102 0.000 1.193 550 H CB 2.342 32.140 29.762 0.059 0.000 1.594 550 H HN 0.519 nan 8.280 nan 0.000 0.526 551 Q N 1.601 121.532 119.800 0.218 0.000 2.386 551 Q HA 0.267 4.607 4.340 0.000 0.000 0.274 551 Q C -2.021 174.062 176.000 0.139 0.000 1.011 551 Q CA -0.617 55.276 55.803 0.150 0.000 0.867 551 Q CB 2.883 31.700 28.738 0.131 0.000 1.409 551 Q HN 0.689 nan 8.270 nan 0.000 0.395 552 D N 2.501 122.961 120.400 0.099 0.000 2.649 552 D HA 0.559 5.199 4.640 0.000 0.000 0.249 552 D C -2.246 174.092 176.300 0.064 0.000 1.112 552 D CA -1.454 52.595 54.000 0.082 0.000 0.850 552 D CB 1.433 42.271 40.800 0.063 0.000 1.399 552 D HN 0.331 nan 8.370 nan 0.000 0.503 553 P HA 0.235 nan 4.420 nan 0.000 0.270 553 P C -2.569 174.799 177.300 0.113 0.000 1.227 553 P CA -0.987 62.160 63.100 0.077 0.000 0.788 553 P CB -0.066 31.673 31.700 0.064 0.000 0.926 554 P HA 0.183 nan 4.420 nan 0.000 0.275 554 P C -0.921 176.558 177.300 0.299 0.000 1.227 554 P CA 0.271 63.507 63.100 0.227 0.000 0.781 554 P CB 0.750 32.583 31.700 0.222 0.000 0.906 555 L N 2.376 123.764 121.223 0.275 0.000 2.341 555 L HA 0.479 4.819 4.340 0.000 0.000 0.267 555 L C 0.962 177.823 176.870 -0.016 0.000 1.009 555 L CA -1.405 53.522 54.840 0.145 0.000 0.819 555 L CB 1.567 43.691 42.059 0.108 0.000 1.323 555 L HN 0.280 nan 8.230 nan 0.000 0.425 556 M N 1.931 121.265 119.600 -0.444 0.000 2.235 556 M HA -0.031 4.449 4.480 0.000 0.000 0.336 556 M C -0.029 176.316 176.300 0.074 0.000 1.146 556 M CA 1.252 56.206 55.300 -0.576 0.000 1.018 556 M CB -0.170 31.972 32.600 -0.763 0.000 1.694 556 M HN 0.599 nan 8.290 nan 0.000 0.451 557 F N -2.200 117.852 119.950 0.169 0.000 2.398 557 F HA -0.247 4.280 4.527 0.000 0.000 0.484 557 F C 1.048 176.908 175.800 0.100 0.000 0.537 557 F CA 0.922 58.992 58.000 0.116 0.000 1.491 557 F CB -2.053 36.969 39.000 0.037 0.000 2.162 557 F HN 0.657 nan 8.300 nan 0.000 0.263 558 T N -1.480 113.256 114.554 0.304 0.000 2.899 558 T HA 0.353 4.703 4.350 0.000 0.000 0.284 558 T C 1.098 175.892 174.700 0.156 0.000 1.004 558 T CA -0.095 62.150 62.100 0.241 0.000 1.043 558 T CB 1.730 70.740 68.868 0.237 0.000 1.013 558 T HN 0.282 nan 8.240 nan 0.000 0.518 559 E N 0.640 120.863 120.200 0.038 0.000 2.153 559 E HA -0.159 4.191 4.350 0.000 0.000 0.194 559 E C 1.786 178.447 176.600 0.100 0.000 0.988 559 E CA 1.194 57.611 56.400 0.028 0.000 0.811 559 E CB -0.004 29.665 29.700 -0.052 0.000 0.746 559 E HN 0.716 nan 8.360 nan 0.000 0.466 560 E N 0.136 120.424 120.200 0.147 0.000 2.107 560 E HA -0.150 4.200 4.350 0.000 0.000 0.191 560 E C 1.634 178.321 176.600 0.145 0.000 0.982 560 E CA 0.644 57.135 56.400 0.152 0.000 0.809 560 E CB -0.296 29.508 29.700 0.173 0.000 0.756 560 E HN 0.307 nan 8.360 nan 0.000 0.459 561 Y N 1.274 121.631 120.300 0.094 0.000 2.181 561 Y HA -0.244 4.306 4.550 0.000 0.000 0.288 561 Y C 2.444 178.391 175.900 0.079 0.000 1.146 561 Y CA 1.957 60.120 58.100 0.105 0.000 1.164 561 Y CB 0.049 38.595 38.460 0.143 0.000 0.982 561 Y HN 0.054 nan 8.280 nan 0.000 0.515 562 Q N 0.321 120.231 119.800 0.184 0.000 2.030 562 Q HA -0.252 4.089 4.340 0.000 0.000 0.204 562 Q C 2.141 178.143 176.000 0.004 0.000 0.986 562 Q CA 2.137 57.977 55.803 0.062 0.000 0.843 562 Q CB -0.085 28.660 28.738 0.012 0.000 0.904 562 Q HN 0.431 nan 8.270 nan 0.000 0.420 563 K N -0.304 120.108 120.400 0.020 0.000 2.044 563 K HA -0.161 4.159 4.320 0.000 0.000 0.210 563 K C 2.356 178.937 176.600 -0.031 0.000 1.049 563 K CA 1.519 57.812 56.287 0.010 0.000 0.927 563 K CB -0.312 32.213 32.500 0.042 0.000 0.713 563 K HN 0.071 nan 8.250 nan 0.000 0.443 564 S N 1.093 116.752 115.700 -0.069 0.000 2.368 564 S HA -0.070 4.400 4.470 0.000 0.000 0.224 564 S C 1.903 176.426 174.600 -0.129 0.000 1.029 564 S CA 0.757 58.892 58.200 -0.109 0.000 0.988 564 S CB -0.166 62.938 63.200 -0.159 0.000 0.838 564 S HN 0.297 nan 8.310 nan 0.000 0.462 565 L N 0.755 121.874 121.223 -0.173 0.000 2.046 565 L HA -0.076 4.264 4.340 0.000 0.000 0.208 565 L C 2.017 178.929 176.870 0.070 0.000 1.077 565 L CA 1.290 56.114 54.840 -0.026 0.000 0.747 565 L CB -0.314 41.764 42.059 0.032 0.000 0.896 565 L HN 0.289 nan 8.230 nan 0.000 0.432 566 L N 0.028 121.230 121.223 -0.034 0.000 2.046 566 L HA -0.235 4.105 4.340 0.000 0.000 0.208 566 L C 2.470 178.995 176.870 -0.576 0.000 1.077 566 L CA 1.785 56.483 54.840 -0.238 0.000 0.747 566 L CB -0.858 41.097 42.059 -0.172 0.000 0.896 566 L HN 0.311 nan 8.230 nan 0.000 0.432 567 E N -1.178 118.885 120.200 -0.228 0.000 2.077 567 E HA -0.235 4.115 4.350 0.000 0.000 0.193 567 E C 2.204 178.777 176.600 -0.044 0.000 0.989 567 E CA 0.957 57.305 56.400 -0.086 0.000 0.800 567 E CB -0.025 29.670 29.700 -0.008 0.000 0.746 567 E HN 0.475 nan 8.360 nan 0.000 0.452 568 Q N -0.314 119.463 119.800 -0.040 0.000 2.083 568 Q HA -0.135 4.205 4.340 0.000 0.000 0.198 568 Q C 1.960 177.926 176.000 -0.057 0.000 0.969 568 Q CA 1.233 57.018 55.803 -0.029 0.000 0.838 568 Q CB -0.502 28.220 28.738 -0.027 0.000 0.900 568 Q HN 0.436 nan 8.270 nan 0.000 0.436 569 Y N 0.746 120.975 120.300 -0.118 0.000 2.128 569 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 569 Y C 2.328 178.194 175.900 -0.057 0.000 1.154 569 Y CA 1.860 59.862 58.100 -0.164 0.000 1.149 569 Y CB -0.407 37.780 38.460 -0.456 0.000 0.976 569 Y HN 0.414 nan 8.280 nan 0.000 0.505 570 H N -1.156 117.958 119.070 0.073 0.000 2.387 570 H HA -0.149 4.407 4.556 0.000 0.000 0.299 570 H C 2.169 177.514 175.328 0.028 0.000 1.090 570 H CA 1.091 57.171 56.048 0.052 0.000 1.332 570 H CB -0.222 29.578 29.762 0.063 0.000 1.386 570 H HN 0.273 nan 8.280 nan 0.000 0.516 571 L N -0.028 121.270 121.223 0.126 0.000 2.093 571 L HA -0.099 4.241 4.340 0.000 0.000 0.208 571 L C 2.840 179.733 176.870 0.039 0.000 1.085 571 L CA 0.973 55.847 54.840 0.058 0.000 0.755 571 L CB -0.469 41.606 42.059 0.027 0.000 0.904 571 L HN 0.367 nan 8.230 nan 0.000 0.435 572 G N 0.071 108.894 108.800 0.038 0.000 2.421 572 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 572 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 572 G C 1.615 176.601 174.900 0.143 0.000 1.171 572 G CA 0.504 45.649 45.100 0.075 0.000 0.775 572 G HN 0.213 nan 8.290 nan 0.000 0.543 573 L N 0.571 121.891 121.223 0.162 0.000 2.079 573 L HA -0.091 4.249 4.340 0.000 0.000 0.210 573 L C 2.459 179.310 176.870 -0.031 0.000 1.081 573 L CA 1.135 56.042 54.840 0.111 0.000 0.752 573 L CB -0.354 41.811 42.059 0.178 0.000 0.896 573 L HN 0.095 nan 8.230 nan 0.000 0.433 574 D N -0.519 119.871 120.400 -0.017 0.000 2.182 574 D HA -0.181 4.459 4.640 0.000 0.000 0.201 574 D C 2.269 178.500 176.300 -0.115 0.000 0.986 574 D CA 0.911 54.863 54.000 -0.079 0.000 0.847 574 D CB -0.104 40.670 40.800 -0.043 0.000 0.942 574 D HN 0.302 nan 8.370 nan 0.000 0.467 575 Q N -0.228 119.519 119.800 -0.088 0.000 2.369 575 Q HA -0.016 4.324 4.340 0.000 0.000 0.206 575 Q C 1.238 177.114 176.000 -0.207 0.000 0.963 575 Q CA 0.797 56.537 55.803 -0.105 0.000 0.894 575 Q CB 0.388 29.101 28.738 -0.042 0.000 0.965 575 Q HN 0.218 nan 8.270 nan 0.000 0.475 576 K N -0.306 119.899 120.400 -0.324 0.000 2.481 576 K HA 0.113 4.433 4.320 0.000 0.000 0.210 576 K C 1.473 177.745 176.600 -0.547 0.000 1.161 576 K CA 0.056 55.995 56.287 -0.580 0.000 1.023 576 K CB 0.849 32.795 32.500 -0.923 0.000 0.971 576 K HN 0.217 nan 8.250 nan 0.000 0.577 577 R N 0.472 120.749 120.500 -0.372 0.000 2.316 577 R HA 0.106 4.446 4.340 0.000 0.000 0.202 577 R C 0.777 176.886 176.300 -0.319 0.000 1.029 577 R CA 0.619 56.529 56.100 -0.317 0.000 1.018 577 R CB 0.056 30.104 30.300 -0.421 0.000 0.888 577 R HN -0.190 nan 8.270 nan 0.000 0.471 578 R N 0.771 121.104 120.500 -0.280 0.000 2.468 578 R HA 0.264 4.604 4.340 0.000 0.000 0.280 578 R C 0.400 176.602 176.300 -0.164 0.000 0.963 578 R CA 0.110 56.089 56.100 -0.201 0.000 1.083 578 R CB 0.410 30.606 30.300 -0.173 0.000 1.200 578 R HN 0.319 nan 8.270 nan 0.000 0.541 579 K N -0.437 119.822 120.400 -0.236 0.000 2.506 579 K HA 0.158 4.478 4.320 0.000 0.000 0.237 579 K C 0.801 177.311 176.600 -0.150 0.000 1.276 579 K CA 0.452 56.611 56.287 -0.213 0.000 0.753 579 K CB 0.283 32.580 32.500 -0.339 0.000 1.627 579 K HN 0.105 nan 8.250 nan 0.000 0.397 580 Y N -0.953 119.197 120.300 -0.249 0.000 2.540 580 Y HA 0.417 4.967 4.550 0.000 0.000 0.257 580 Y C 0.046 175.859 175.900 -0.145 0.000 1.090 580 Y CA -0.750 57.200 58.100 -0.249 0.000 1.242 580 Y CB 0.121 38.152 38.460 -0.714 0.000 1.325 580 Y HN -0.311 nan 8.280 nan 0.000 0.544 581 V N 3.605 123.338 119.914 -0.303 0.000 2.427 581 V HA 0.153 4.273 4.120 0.000 0.000 0.268 581 V C 1.056 177.216 176.094 0.110 0.000 1.046 581 V CA 0.010 62.218 62.300 -0.153 0.000 0.970 581 V CB 1.151 32.701 31.823 -0.455 0.000 1.001 581 V HN 0.393 nan 8.190 nan 0.000 0.476 582 V N 2.227 122.223 119.914 0.137 0.000 3.483 582 V HA 0.769 4.889 4.120 0.000 0.000 0.301 582 V C 0.601 176.590 176.094 -0.174 0.000 1.389 582 V CA 0.551 62.965 62.300 0.190 0.000 1.101 582 V CB -0.019 31.968 31.823 0.272 0.000 0.971 582 V HN 0.874 nan 8.190 nan 0.000 0.434 583 G N 0.614 109.186 108.800 -0.379 0.000 2.547 583 G HA2 0.610 4.570 3.960 0.000 0.000 0.291 583 G HA3 0.610 4.570 3.960 0.000 0.000 0.291 583 G C -1.736 172.950 174.900 -0.357 0.000 1.471 583 G CA -0.237 44.464 45.100 -0.665 0.000 0.798 583 G HN 0.597 nan 8.290 nan 0.000 0.504 584 E N -0.063 119.974 120.200 -0.273 0.000 2.304 584 E HA 0.621 4.971 4.350 0.000 0.000 0.277 584 E C -1.668 175.012 176.600 0.134 0.000 0.898 584 E CA -1.000 55.439 56.400 0.064 0.000 0.764 584 E CB 2.354 32.199 29.700 0.242 0.000 1.216 584 E HN 0.394 nan 8.360 nan 0.000 0.419 585 L N 4.241 125.586 121.223 0.203 0.000 2.372 585 L HA 0.495 4.835 4.340 0.000 0.000 0.274 585 L C -0.175 176.795 176.870 0.167 0.000 0.988 585 L CA -1.019 53.926 54.840 0.176 0.000 0.833 585 L CB 1.750 43.850 42.059 0.067 0.000 1.236 585 L HN 0.680 nan 8.230 nan 0.000 0.410 586 I N 3.071 123.692 120.570 0.084 0.000 2.634 586 I HA 0.060 4.230 4.170 0.000 0.000 0.284 586 I C -0.524 175.503 176.117 -0.150 0.000 1.124 586 I CA 0.094 61.199 61.300 -0.325 0.000 1.417 586 I CB 0.915 38.759 38.000 -0.260 0.000 1.396 586 I HN 0.665 nan 8.210 nan 0.000 0.571 587 W N 9.211 130.304 121.300 -0.345 0.000 2.316 587 W HA 0.320 4.980 4.660 0.000 0.000 0.308 587 W C -1.043 175.419 176.519 -0.094 0.000 1.106 587 W CA -0.497 56.794 57.345 -0.091 0.000 1.262 587 W CB 1.023 30.525 29.460 0.070 0.000 1.233 587 W HN 0.585 nan 8.180 nan 0.000 0.447 588 N N 4.044 122.541 118.700 -0.338 0.000 2.455 588 N HA 0.139 4.879 4.740 0.000 0.000 0.278 588 N C 0.405 175.789 175.510 -0.210 0.000 1.291 588 N CA -0.558 52.127 53.050 -0.608 0.000 0.780 588 N CB 1.183 39.062 38.487 -1.014 0.000 1.520 588 N HN 0.344 nan 8.380 nan 0.000 0.486 589 F N 1.746 121.532 119.950 -0.273 0.000 2.063 589 F HA -0.004 4.523 4.527 0.000 0.000 0.298 589 F C 0.649 176.497 175.800 0.080 0.000 1.109 589 F CA 1.885 59.854 58.000 -0.053 0.000 1.212 589 F CB 0.024 38.934 39.000 -0.152 0.000 0.973 589 F HN 0.539 nan 8.300 nan 0.000 0.480 590 A N -0.409 122.447 122.820 0.061 0.000 2.572 590 A HA 0.402 4.722 4.320 0.000 0.000 0.295 590 A C -1.337 176.337 177.584 0.149 0.000 1.072 590 A CA -0.845 51.209 52.037 0.028 0.000 0.691 590 A CB 0.452 19.474 19.000 0.038 0.000 1.291 590 A HN 0.104 nan 8.150 nan 0.000 0.404 591 D N 1.104 121.546 120.400 0.070 0.000 2.571 591 D HA 0.394 5.034 4.640 0.000 0.000 0.231 591 D C -0.285 176.114 176.300 0.165 0.000 1.133 591 D CA 1.577 55.602 54.000 0.041 0.000 0.862 591 D CB -0.129 40.656 40.800 -0.025 0.000 1.179 591 D HN 0.484 nan 8.370 nan 0.000 0.474 592 F N -0.524 119.472 119.950 0.075 0.000 2.685 592 F HA 0.556 5.083 4.527 0.000 0.000 0.315 592 F C -0.757 175.121 175.800 0.129 0.000 1.126 592 F CA -1.688 56.371 58.000 0.098 0.000 0.950 592 F CB 0.949 40.012 39.000 0.104 0.000 1.360 592 F HN 0.063 nan 8.300 nan 0.000 0.469 593 M N 2.603 122.419 119.600 0.360 0.000 2.249 593 M HA 0.599 5.079 4.480 0.000 0.000 0.351 593 M C -0.266 176.238 176.300 0.340 0.000 1.180 593 M CA 0.073 55.507 55.300 0.223 0.000 1.127 593 M CB 0.960 33.700 32.600 0.233 0.000 1.546 593 M HN 0.965 nan 8.290 nan 0.000 0.461 594 T N 0.651 115.303 114.554 0.162 0.000 2.838 594 T HA 0.586 4.936 4.350 0.000 0.000 0.292 594 T C -0.409 174.392 174.700 0.169 0.000 1.113 594 T CA -1.135 61.115 62.100 0.250 0.000 1.008 594 T CB 0.916 69.885 68.868 0.170 0.000 1.259 594 T HN 0.566 nan 8.240 nan 0.000 0.520 595 E N 1.143 121.480 120.200 0.229 0.000 2.418 595 E HA 0.074 4.424 4.350 0.000 0.000 0.261 595 E C 0.094 176.722 176.600 0.046 0.000 1.070 595 E CA 0.055 56.563 56.400 0.179 0.000 0.931 595 E CB 0.430 30.185 29.700 0.091 0.000 0.954 595 E HN 0.561 nan 8.360 nan 0.000 0.439 596 Q N 0.839 120.649 119.800 0.017 0.000 2.300 596 Q HA 0.142 4.482 4.340 0.000 0.000 0.280 596 Q C -0.110 175.879 176.000 -0.019 0.000 1.033 596 Q CA 0.431 56.221 55.803 -0.021 0.000 0.903 596 Q CB 0.604 29.315 28.738 -0.046 0.000 1.195 596 Q HN 0.526 nan 8.270 nan 0.000 0.386 597 S N 0.814 116.504 115.700 -0.016 0.000 2.595 597 S HA 0.344 4.814 4.470 0.000 0.000 0.270 597 S C -2.624 171.972 174.600 -0.006 0.000 1.145 597 S CA -1.213 56.981 58.200 -0.010 0.000 0.825 597 S CB 1.103 64.301 63.200 -0.003 0.000 1.107 597 S HN 0.299 nan 8.310 nan 0.000 0.461 598 P HA 0.048 nan 4.420 nan 0.000 0.228 598 P C 1.112 178.417 177.300 0.007 0.000 1.151 598 P CA 1.418 64.513 63.100 -0.008 0.000 0.770 598 P CB -0.205 31.491 31.700 -0.008 0.000 0.786 599 T N -5.094 109.484 114.554 0.040 0.000 3.054 599 T HA 0.221 4.571 4.350 0.000 0.000 0.255 599 T C 0.746 175.521 174.700 0.125 0.000 1.035 599 T CA -0.319 61.842 62.100 0.100 0.000 0.941 599 T CB 0.015 68.960 68.868 0.127 0.000 1.026 599 T HN -0.182 nan 8.240 nan 0.000 0.533 600 R N 1.696 122.232 120.500 0.059 0.000 2.371 600 R HA 0.454 4.795 4.340 0.000 0.000 0.312 600 R C -1.230 175.064 176.300 -0.010 0.000 0.980 600 R CA -0.553 55.571 56.100 0.039 0.000 0.867 600 R CB 1.764 32.079 30.300 0.025 0.000 1.163 600 R HN 0.143 nan 8.270 nan 0.000 0.492 601 V N 5.310 125.213 119.914 -0.019 0.000 2.276 601 V HA 0.115 4.236 4.120 0.000 0.000 0.249 601 V C 1.388 177.435 176.094 -0.078 0.000 1.160 601 V CA -0.422 61.834 62.300 -0.073 0.000 1.042 601 V CB -0.265 31.482 31.823 -0.127 0.000 1.224 601 V HN 0.775 nan 8.190 nan 0.000 0.496 602 L N 4.353 125.531 121.223 -0.075 0.000 3.762 602 L HA -0.260 4.080 4.340 0.000 0.000 0.460 602 L C 0.944 177.762 176.870 -0.085 0.000 1.255 602 L CA 0.699 55.491 54.840 -0.080 0.000 0.783 602 L CB -1.328 40.685 42.059 -0.077 0.000 1.600 602 L HN 1.071 nan 8.230 nan 0.000 0.862 603 G N -0.448 108.301 108.800 -0.084 0.000 2.582 603 G HA2 -0.233 3.727 3.960 0.000 0.000 0.222 603 G HA3 -0.233 3.727 3.960 0.000 0.000 0.222 603 G C -0.603 174.189 174.900 -0.180 0.000 1.311 603 G CA 0.006 45.033 45.100 -0.121 0.000 0.915 603 G HN 0.432 nan 8.290 nan 0.000 0.528 604 N N 0.691 119.140 118.700 -0.417 0.000 2.422 604 N HA 0.354 5.094 4.740 0.000 0.000 0.266 604 N C 0.338 175.642 175.510 -0.344 0.000 1.007 604 N CA -0.378 52.411 53.050 -0.435 0.000 0.941 604 N CB 0.972 38.929 38.487 -0.883 0.000 1.115 604 N HN 0.474 nan 8.380 nan 0.000 0.492 605 K N 3.102 123.409 120.400 -0.155 0.000 2.576 605 K HA 0.154 4.474 4.320 0.000 0.000 0.209 605 K C 0.378 176.906 176.600 -0.119 0.000 1.049 605 K CA -0.095 56.123 56.287 -0.114 0.000 1.140 605 K CB 0.484 32.945 32.500 -0.064 0.000 0.871 605 K HN 0.530 nan 8.250 nan 0.000 0.479 606 K N 0.672 121.018 120.400 -0.089 0.000 2.487 606 K HA 0.038 4.358 4.320 0.000 0.000 0.192 606 K C 0.935 177.483 176.600 -0.087 0.000 1.027 606 K CA -0.104 56.129 56.287 -0.090 0.000 1.054 606 K CB 0.312 32.873 32.500 0.102 0.000 0.824 606 K HN 0.135 nan 8.250 nan 0.000 0.510 607 G N 1.840 110.593 108.800 -0.078 0.000 2.391 607 G HA2 -0.007 3.953 3.960 0.000 0.000 0.234 607 G HA3 -0.007 3.953 3.960 0.000 0.000 0.234 607 G C 0.970 175.767 174.900 -0.172 0.000 1.284 607 G CA -0.279 44.758 45.100 -0.105 0.000 0.873 607 G HN 0.320 nan 8.290 nan 0.000 0.549 608 I N -0.923 119.492 120.570 -0.257 0.000 2.876 608 I HA 0.342 4.513 4.170 0.000 0.000 0.264 608 I C 0.020 175.775 176.117 -0.604 0.000 1.204 608 I CA -0.026 61.031 61.300 -0.406 0.000 1.485 608 I CB -0.041 37.667 38.000 -0.487 0.000 1.103 608 I HN 0.154 nan 8.210 nan 0.000 0.446 609 F N 2.086 121.840 119.950 -0.326 0.000 2.492 609 F HA 0.435 4.963 4.527 0.000 0.000 0.327 609 F C 1.190 176.854 175.800 -0.226 0.000 1.079 609 F CA -0.989 56.812 58.000 -0.332 0.000 0.967 609 F CB 1.415 40.072 39.000 -0.571 0.000 1.169 609 F HN -0.096 nan 8.300 nan 0.000 0.472 610 T N -1.554 113.018 114.554 0.030 0.000 2.748 610 T HA 0.119 4.469 4.350 0.000 0.000 0.304 610 T C 1.276 175.976 174.700 0.001 0.000 1.041 610 T CA -0.526 61.575 62.100 0.002 0.000 1.033 610 T CB 0.746 69.616 68.868 0.004 0.000 0.995 610 T HN 0.761 nan 8.240 nan 0.000 0.536 611 R N 0.014 120.516 120.500 0.003 0.000 2.193 611 R HA -0.085 4.255 4.340 0.000 0.000 0.229 611 R C 1.480 177.774 176.300 -0.010 0.000 1.110 611 R CA 1.231 57.339 56.100 0.013 0.000 0.988 611 R CB -0.177 30.136 30.300 0.021 0.000 0.871 611 R HN 0.656 nan 8.270 nan 0.000 0.458 612 Q N -0.206 119.583 119.800 -0.019 0.000 2.247 612 Q HA 0.139 4.479 4.340 0.000 0.000 0.205 612 Q C -0.497 175.469 176.000 -0.057 0.000 0.896 612 Q CA 0.013 55.797 55.803 -0.033 0.000 0.950 612 Q CB 0.673 29.398 28.738 -0.022 0.000 1.054 612 Q HN 0.047 nan 8.270 nan 0.000 0.482 613 R N 0.216 120.668 120.500 -0.080 0.000 3.531 613 R HA -0.137 4.203 4.340 0.000 0.000 0.280 613 R C -0.990 175.228 176.300 -0.136 0.000 1.130 613 R CA 0.468 56.458 56.100 -0.184 0.000 0.757 613 R CB -1.873 28.303 30.300 -0.207 0.000 1.218 613 R HN 0.201 nan 8.270 nan 0.000 0.454 614 Q N 0.097 119.896 119.800 -0.003 0.000 2.306 614 Q HA 0.511 4.851 4.340 0.000 0.000 0.265 614 Q C -2.321 173.773 176.000 0.158 0.000 1.022 614 Q CA -2.181 53.654 55.803 0.055 0.000 0.853 614 Q CB 1.839 30.590 28.738 0.023 0.000 1.327 614 Q HN -0.036 nan 8.270 nan 0.000 0.449 615 P HA 0.193 nan 4.420 nan 0.000 0.281 615 P C -0.551 176.759 177.300 0.016 0.000 1.252 615 P CA -0.248 62.800 63.100 -0.088 0.000 0.778 615 P CB 1.201 32.723 31.700 -0.297 0.000 0.895 616 K N 1.345 121.699 120.400 -0.077 0.000 2.118 616 K HA 0.198 4.518 4.320 0.000 0.000 0.240 616 K C 1.721 178.404 176.600 0.139 0.000 1.035 616 K CA -0.484 55.817 56.287 0.023 0.000 0.899 616 K CB 0.037 32.510 32.500 -0.045 0.000 1.085 616 K HN 0.282 nan 8.250 nan 0.000 0.498 617 S N 0.736 116.544 115.700 0.180 0.000 2.383 617 S HA -0.199 4.271 4.470 0.000 0.000 0.229 617 S C 1.947 176.689 174.600 0.238 0.000 1.030 617 S CA 1.488 59.848 58.200 0.268 0.000 1.002 617 S CB -0.328 62.977 63.200 0.176 0.000 0.829 617 S HN 0.706 nan 8.310 nan 0.000 0.467 618 A N 1.512 124.384 122.820 0.087 0.000 2.024 618 A HA 0.036 4.357 4.320 0.000 0.000 0.220 618 A C 2.322 179.877 177.584 -0.048 0.000 1.164 618 A CA 1.666 53.715 52.037 0.021 0.000 0.643 618 A CB -0.982 17.995 19.000 -0.038 0.000 0.806 618 A HN 0.522 nan 8.150 nan 0.000 0.451 619 A N -0.800 121.925 122.820 -0.158 0.000 1.908 619 A HA -0.084 4.236 4.320 0.000 0.000 0.218 619 A C 1.928 179.354 177.584 -0.263 0.000 1.181 619 A CA 1.663 53.477 52.037 -0.371 0.000 0.627 619 A CB -0.791 17.796 19.000 -0.689 0.000 0.818 619 A HN 0.517 nan 8.150 nan 0.000 0.445 620 F N -0.605 119.341 119.950 -0.006 0.000 2.186 620 F HA -0.052 4.475 4.527 0.000 0.000 0.299 620 F C 2.083 177.846 175.800 -0.063 0.000 1.090 620 F CA 1.175 59.166 58.000 -0.014 0.000 1.307 620 F CB -0.430 38.605 39.000 0.059 0.000 1.019 620 F HN 0.240 nan 8.300 nan 0.000 0.489 621 L N -0.356 120.949 121.223 0.138 0.000 1.989 621 L HA -0.223 4.117 4.340 0.000 0.000 0.211 621 L C 2.350 179.218 176.870 -0.003 0.000 1.071 621 L CA 1.293 56.180 54.840 0.078 0.000 0.749 621 L CB -0.383 41.734 42.059 0.096 0.000 0.890 621 L HN 0.152 nan 8.230 nan 0.000 0.431 622 L N 0.147 121.319 121.223 -0.085 0.000 2.046 622 L HA -0.221 4.120 4.340 0.000 0.000 0.208 622 L C 2.765 179.371 176.870 -0.440 0.000 1.077 622 L CA 1.817 56.472 54.840 -0.308 0.000 0.747 622 L CB -0.617 41.212 42.059 -0.383 0.000 0.896 622 L HN 0.261 nan 8.230 nan 0.000 0.432 623 R N -0.663 119.669 120.500 -0.280 0.000 2.096 623 R HA -0.196 4.144 4.340 0.000 0.000 0.240 623 R C 2.143 178.463 176.300 0.034 0.000 1.139 623 R CA 1.715 57.716 56.100 -0.165 0.000 0.952 623 R CB -0.233 29.826 30.300 -0.403 0.000 0.854 623 R HN 0.368 nan 8.270 nan 0.000 0.436 624 E N 0.377 120.571 120.200 -0.011 0.000 2.085 624 E HA -0.259 4.091 4.350 0.000 0.000 0.194 624 E C 2.014 178.634 176.600 0.032 0.000 0.994 624 E CA 1.334 57.756 56.400 0.036 0.000 0.801 624 E CB -0.256 29.456 29.700 0.019 0.000 0.743 624 E HN 0.389 nan 8.360 nan 0.000 0.453 625 R N -0.302 120.166 120.500 -0.053 0.000 2.073 625 R HA -0.169 4.171 4.340 0.000 0.000 0.234 625 R C 2.313 178.616 176.300 0.006 0.000 1.134 625 R CA 1.273 57.324 56.100 -0.081 0.000 0.952 625 R CB -0.215 29.932 30.300 -0.255 0.000 0.850 625 R HN 0.136 nan 8.270 nan 0.000 0.433 626 Y N -0.712 119.472 120.300 -0.193 0.000 2.200 626 Y HA -0.198 4.352 4.550 0.000 0.000 0.290 626 Y C 1.974 177.568 175.900 -0.510 0.000 1.137 626 Y CA 0.507 58.360 58.100 -0.411 0.000 1.163 626 Y CB -1.029 37.257 38.460 -0.290 0.000 0.988 626 Y HN 0.180 nan 8.280 nan 0.000 0.518 627 W N 0.668 121.926 121.300 -0.070 0.000 2.388 627 W HA -0.114 4.546 4.660 0.000 0.000 0.294 627 W C 2.599 179.041 176.519 -0.128 0.000 1.212 627 W CA 1.673 58.953 57.345 -0.108 0.000 1.271 627 W CB -0.351 29.055 29.460 -0.089 0.000 1.126 627 W HN -0.071 nan 8.180 nan 0.000 0.535 628 K N 0.775 121.220 120.400 0.075 0.000 2.026 628 K HA -0.182 4.138 4.320 0.000 0.000 0.208 628 K C 1.759 178.307 176.600 -0.087 0.000 1.048 628 K CA 1.696 57.981 56.287 -0.003 0.000 0.929 628 K CB -0.501 31.990 32.500 -0.016 0.000 0.713 628 K HN 0.140 nan 8.250 nan 0.000 0.439 629 I N 1.151 121.621 120.570 -0.168 0.000 2.179 629 I HA -0.243 3.927 4.170 0.000 0.000 0.242 629 I C 2.529 178.499 176.117 -0.246 0.000 1.088 629 I CA 1.159 62.315 61.300 -0.240 0.000 1.357 629 I CB -0.384 37.427 38.000 -0.314 0.000 1.051 629 I HN 0.280 nan 8.210 nan 0.000 0.409 630 A N 0.965 123.583 122.820 -0.335 0.000 1.940 630 A HA -0.212 4.108 4.320 0.000 0.000 0.219 630 A C 1.904 179.413 177.584 -0.125 0.000 1.176 630 A CA 1.949 53.847 52.037 -0.232 0.000 0.631 630 A CB -0.621 18.166 19.000 -0.355 0.000 0.814 630 A HN 0.428 nan 8.150 nan 0.000 0.446 631 N N 0.073 118.727 118.700 -0.076 0.000 2.494 631 N HA -0.035 4.705 4.740 0.000 0.000 0.182 631 N C 1.240 176.715 175.510 -0.058 0.000 1.076 631 N CA 0.854 53.884 53.050 -0.034 0.000 0.908 631 N CB -0.298 38.198 38.487 0.015 0.000 0.967 631 N HN 0.655 nan 8.380 nan 0.000 0.449 632 E N -0.021 120.129 120.200 -0.083 0.000 2.333 632 E HA -0.059 4.291 4.350 0.000 0.000 0.198 632 E C -0.252 176.299 176.600 -0.081 0.000 1.007 632 E CA 0.720 57.069 56.400 -0.086 0.000 0.845 632 E CB 0.067 29.699 29.700 -0.113 0.000 0.766 632 E HN 0.175 nan 8.360 nan 0.000 0.507 633 T N 0.000 114.504 114.554 -0.084 0.000 3.816 633 T HA 0.000 4.350 4.350 0.000 0.000 0.228 633 T CA 0.000 62.049 62.100 -0.085 0.000 1.349 633 T CB 0.000 68.821 68.868 -0.079 0.000 0.612 633 T HN 0.000 nan 8.240 nan 0.000 0.658