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 2ioa_1_A DATA FIRST_RESID 10 DATA SEQUENCE APFGTLLGYA PGGVAIYSSD YXXXXXXXXX XXXVFRSYID DEYMGHKWQC DATA SEQUENCE VEFARRFLFL NYGVVFTDVG MAWEIFSLRF LREVVNDNIL PLQAFPNGSP DATA SEQUENCE RAPVAGALLI WDKGGEFKDT GHVAIITQLH GNKVRIAEQN VIHSPLPQGQ DATA SEQUENCE QWTRELEMVV ENGCYTLKDT FDDTTILGWM IQTEDTEYSL PQPEIAGELL DATA SEQUENCE KISGARLENK GQFDGKWLDE KDPLQNAYVQ ANGQVINQDP YHYYTITESA DATA SEQUENCE EQELIKATNE LHLMYLHATD KVLKDDNLLA LFDIPKILWP RLRLSWQRRR DATA SEQUENCE HHMITGRMDF CMDERGLKVY EYNADSASCH TEAGLILERW AEQGYKGNGF DATA SEQUENCE NPAEGLINEL AGAWKHSRAR PFVHIMQDKD IEENYHAQFM EQALHQAGFE DATA SEQUENCE TRILRGLDEL GWXXXXQLID GEGRLVNCVW KTWAWETAFD QIREVXXXXF DATA SEQUENCE AAVPIRTGHP QNEVRLIDVL LRPEVLVFEP LWTVIPGNKA ILPILWSLFP DATA SEQUENCE HHRYLLDTDF TVNDELVKTG YAVKPIAGRC GSNIDLVSHH EEVLDKTSGK DATA SEQUENCE FAEQKNIYQQ LWCLPKVDGK YIQVCTFTVG GNYGGTCLRG DESLVIKKES DATA SEQUENCE DIEPLIVVK 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.633 177.584 0.082 0.000 1.274 10 A CA 0.000 52.068 52.037 0.051 0.000 0.836 10 A CB 0.000 19.005 19.000 0.009 0.000 0.831 11 P HA 0.227 nan 4.420 nan 0.000 0.271 11 P C -0.162 177.226 177.300 0.147 0.000 1.228 11 P CA 0.064 63.237 63.100 0.121 0.000 0.797 11 P CB 0.187 31.948 31.700 0.101 0.000 0.914 12 F N 1.017 121.006 119.950 0.065 0.000 2.578 12 F HA 0.343 4.888 4.527 0.029 0.000 0.381 12 F C 1.404 177.257 175.800 0.087 0.000 1.069 12 F CA 1.661 59.705 58.000 0.072 0.000 1.231 12 F CB -0.432 38.597 39.000 0.048 0.000 1.086 12 F HN 0.601 nan 8.300 nan 0.000 0.564 13 G N 2.948 111.382 108.800 -0.610 0.000 2.254 13 G HA2 -0.251 3.727 3.960 0.030 0.000 0.225 13 G HA3 -0.251 3.727 3.960 0.030 0.000 0.225 13 G C 0.415 175.133 174.900 -0.302 0.000 1.003 13 G CA -0.065 44.706 45.100 -0.549 0.000 0.622 13 G HN 0.862 nan 8.290 nan 0.000 0.507 14 T N 2.007 116.467 114.554 -0.158 0.000 2.928 14 T HA 0.391 4.759 4.350 0.030 0.000 0.305 14 T C 0.310 174.950 174.700 -0.099 0.000 1.035 14 T CA 0.264 62.311 62.100 -0.087 0.000 1.145 14 T CB 1.636 70.468 68.868 -0.059 0.000 0.963 14 T HN 0.634 nan 8.240 nan 0.000 0.545 15 L N 4.680 125.836 121.223 -0.111 0.000 2.313 15 L HA 0.282 4.640 4.340 0.030 0.000 0.282 15 L C 0.549 177.227 176.870 -0.320 0.000 1.092 15 L CA 0.238 54.879 54.840 -0.332 0.000 0.831 15 L CB 0.062 41.923 42.059 -0.331 0.000 1.159 15 L HN 0.664 nan 8.230 nan 0.000 0.442 16 L N 4.936 125.918 121.223 -0.402 0.000 2.616 16 L HA 0.564 4.923 4.340 0.030 0.000 0.229 16 L C 0.939 177.625 176.870 -0.306 0.000 1.110 16 L CA 0.264 54.928 54.840 -0.293 0.000 0.884 16 L CB -0.476 41.423 42.059 -0.268 0.000 1.115 16 L HN 0.841 nan 8.230 nan 0.000 0.481 17 G N -1.154 107.378 108.800 -0.447 0.000 2.352 17 G HA2 0.214 4.192 3.960 0.030 0.000 0.283 17 G HA3 0.214 4.192 3.960 0.030 0.000 0.283 17 G C -2.155 172.392 174.900 -0.589 0.000 1.308 17 G CA -0.723 44.164 45.100 -0.357 0.000 0.892 17 G HN -0.181 nan 8.290 nan 0.000 0.504 18 Y N -0.371 119.842 120.300 -0.144 0.000 2.576 18 Y HA 0.798 5.367 4.550 0.030 0.000 0.346 18 Y C 0.721 176.637 175.900 0.026 0.000 1.018 18 Y CA -0.061 57.997 58.100 -0.071 0.000 1.050 18 Y CB 2.146 40.566 38.460 -0.067 0.000 1.280 18 Y HN 0.997 nan 8.280 nan 0.000 0.474 19 A N 1.642 124.654 122.820 0.320 0.000 2.261 19 A HA 0.805 5.143 4.320 0.030 0.000 0.323 19 A C -2.816 174.995 177.584 0.380 0.000 1.107 19 A CA -2.278 50.005 52.037 0.409 0.000 0.883 19 A CB 0.301 19.741 19.000 0.734 0.000 1.251 19 A HN 0.494 nan 8.150 nan 0.000 0.502 20 P HA 0.179 nan 4.420 nan 0.000 0.264 20 P C 0.920 178.293 177.300 0.121 0.000 1.179 20 P CA 2.465 65.740 63.100 0.292 0.000 0.763 20 P CB 0.386 32.314 31.700 0.380 0.000 0.806 21 G N 2.205 111.013 108.800 0.013 0.000 2.179 21 G HA2 -0.128 3.850 3.960 0.030 0.000 0.260 21 G HA3 -0.128 3.850 3.960 0.030 0.000 0.260 21 G C 0.809 175.650 174.900 -0.099 0.000 0.977 21 G CA 0.289 45.325 45.100 -0.106 0.000 0.641 21 G HN 1.097 nan 8.290 nan 0.000 0.533 22 G N -2.084 106.706 108.800 -0.018 0.000 2.132 22 G HA2 0.033 4.011 3.960 0.030 0.000 0.234 22 G HA3 0.033 4.011 3.960 0.030 0.000 0.234 22 G C 0.319 175.321 174.900 0.170 0.000 0.989 22 G CA 0.434 45.532 45.100 -0.004 0.000 0.676 22 G HN 1.720 nan 8.290 nan 0.000 0.522 23 V N 1.357 121.355 119.914 0.139 0.000 2.397 23 V HA 0.583 4.721 4.120 0.030 0.000 0.262 23 V C 1.363 177.573 176.094 0.192 0.000 1.047 23 V CA -0.330 62.051 62.300 0.135 0.000 1.003 23 V CB 0.105 31.949 31.823 0.035 0.000 1.037 23 V HN 1.270 nan 8.190 nan 0.000 0.480 24 A N 6.645 129.467 122.820 0.004 0.000 2.577 24 A HA 0.417 4.755 4.320 0.030 0.000 0.233 24 A C -0.068 177.242 177.584 -0.456 0.000 1.076 24 A CA 0.457 52.167 52.037 -0.546 0.000 0.767 24 A CB -0.042 18.502 19.000 -0.760 0.000 1.017 24 A HN 0.809 nan 8.150 nan 0.000 0.511 25 I N 0.847 120.923 120.570 -0.824 0.000 2.548 25 I HA 0.324 4.512 4.170 0.030 0.000 0.287 25 I C -1.313 174.268 176.117 -0.893 0.000 1.103 25 I CA -0.241 60.676 61.300 -0.639 0.000 1.049 25 I CB 1.571 39.272 38.000 -0.498 0.000 1.232 25 I HN 0.676 nan 8.210 nan 0.000 0.429 26 Y N 2.698 122.623 120.300 -0.625 0.000 2.534 26 Y HA 0.466 5.034 4.550 0.030 0.000 0.329 26 Y C 0.801 176.367 175.900 -0.557 0.000 1.154 26 Y CA -0.806 56.834 58.100 -0.767 0.000 1.192 26 Y CB 1.580 39.142 38.460 -1.496 0.000 1.275 26 Y HN 0.468 nan 8.280 nan 0.000 0.491 27 S N 0.641 116.177 115.700 -0.272 0.000 2.523 27 S HA 0.264 4.752 4.470 0.030 0.000 0.275 27 S C 0.082 174.667 174.600 -0.024 0.000 1.281 27 S CA -0.454 57.630 58.200 -0.193 0.000 1.050 27 S CB 0.053 63.227 63.200 -0.042 0.000 0.937 27 S HN 0.697 nan 8.310 nan 0.000 0.492 28 S N 2.686 118.425 115.700 0.065 0.000 2.525 28 S HA 0.206 4.694 4.470 0.030 0.000 0.242 28 S C -0.540 174.210 174.600 0.250 0.000 1.164 28 S CA -0.773 57.587 58.200 0.267 0.000 1.154 28 S CB -0.177 63.170 63.200 0.246 0.000 0.875 28 S HN 0.764 nan 8.310 nan 0.000 0.482 29 D N 1.806 122.456 120.400 0.416 0.000 2.402 29 D HA 0.226 4.884 4.640 0.030 0.000 0.235 29 D C -0.143 176.248 176.300 0.151 0.000 1.226 29 D CA -0.228 53.891 54.000 0.198 0.000 0.918 29 D CB -0.023 40.866 40.800 0.149 0.000 1.043 29 D HN 0.347 nan 8.370 nan 0.000 0.506 44 F N 0.743 120.701 119.950 0.012 0.000 2.710 44 F HA 0.301 4.845 4.527 0.028 0.000 0.298 44 F C 1.625 177.315 175.800 -0.182 0.000 1.137 44 F CA 0.280 58.178 58.000 -0.169 0.000 1.444 44 F CB 0.056 38.929 39.000 -0.210 0.000 1.111 44 F HN 0.108 nan 8.300 nan 0.000 0.580 45 R N -0.068 120.543 120.500 0.186 0.000 2.582 45 R HA 0.340 4.698 4.340 0.030 0.000 0.271 45 R C 0.053 176.381 176.300 0.047 0.000 1.078 45 R CA -0.108 56.112 56.100 0.199 0.000 1.127 45 R CB 1.008 31.506 30.300 0.330 0.000 1.038 45 R HN -0.086 nan 8.270 nan 0.000 0.500 46 S N 1.785 117.419 115.700 -0.110 0.000 2.659 46 S HA 0.462 4.950 4.470 0.030 0.000 0.312 46 S C -1.601 172.892 174.600 -0.179 0.000 1.114 46 S CA -0.589 57.536 58.200 -0.125 0.000 1.063 46 S CB 0.376 63.450 63.200 -0.210 0.000 0.996 46 S HN 0.398 nan 8.310 nan 0.000 0.478 47 Y N 3.093 123.374 120.300 -0.031 0.000 2.524 47 Y HA 0.613 5.179 4.550 0.028 0.000 0.344 47 Y C 0.160 176.061 175.900 0.002 0.000 1.012 47 Y CA -0.997 57.083 58.100 -0.033 0.000 1.068 47 Y CB 1.662 40.129 38.460 0.012 0.000 1.249 47 Y HN 0.508 nan 8.280 nan 0.000 0.468 48 I N 3.410 124.066 120.570 0.142 0.000 2.595 48 I HA 0.194 4.382 4.170 0.030 0.000 0.275 48 I C -1.051 175.161 176.117 0.159 0.000 1.092 48 I CA -0.151 61.253 61.300 0.173 0.000 1.145 48 I CB 0.253 38.415 38.000 0.269 0.000 1.276 48 I HN 0.768 nan 8.210 nan 0.000 0.497 49 D N 2.317 122.808 120.400 0.152 0.000 3.766 49 D HA -0.223 4.436 4.640 0.030 0.000 0.191 49 D C 0.374 176.723 176.300 0.082 0.000 1.256 49 D CA 1.014 55.079 54.000 0.108 0.000 1.091 49 D CB -0.269 40.606 40.800 0.124 0.000 0.619 49 D HN 0.434 nan 8.370 nan 0.000 0.729 50 D N 0.715 121.119 120.400 0.007 0.000 2.371 50 D HA 0.101 4.759 4.640 0.030 0.000 0.234 50 D C 0.302 176.462 176.300 -0.234 0.000 1.049 50 D CA 0.675 54.585 54.000 -0.150 0.000 0.907 50 D CB -0.077 40.558 40.800 -0.274 0.000 0.891 50 D HN 0.151 nan 8.370 nan 0.000 0.531 51 E N 0.064 120.214 120.200 -0.084 0.000 2.151 51 E HA 0.145 4.513 4.350 0.030 0.000 0.275 51 E C -1.188 175.284 176.600 -0.213 0.000 0.936 51 E CA -0.882 55.392 56.400 -0.210 0.000 0.777 51 E CB 0.651 30.037 29.700 -0.523 0.000 1.108 51 E HN -0.025 nan 8.360 nan 0.000 0.401 52 Y N 5.328 125.362 120.300 -0.443 0.000 2.402 52 Y HA 0.074 4.649 4.550 0.042 0.000 0.333 52 Y C 0.466 176.068 175.900 -0.497 0.000 1.076 52 Y CA 0.201 57.845 58.100 -0.759 0.000 1.299 52 Y CB 0.607 38.711 38.460 -0.593 0.000 1.197 52 Y HN 0.621 nan 8.280 nan 0.000 0.517 53 M N 3.951 122.888 119.600 -1.106 0.000 2.730 53 M HA 0.361 4.859 4.480 0.030 0.000 0.258 53 M C 0.814 176.592 176.300 -0.869 0.000 1.279 53 M CA 1.081 55.920 55.300 -0.768 0.000 1.183 53 M CB -0.151 32.220 32.600 -0.381 0.000 1.291 53 M HN 0.840 nan 8.290 nan 0.000 0.518 54 G N -0.897 107.207 108.800 -1.160 0.000 2.359 54 G HA2 0.112 4.090 3.960 0.030 0.000 0.293 54 G HA3 0.112 4.090 3.960 0.030 0.000 0.293 54 G C -1.708 173.080 174.900 -0.187 0.000 1.300 54 G CA -0.902 43.839 45.100 -0.597 0.000 0.888 54 G HN 0.335 nan 8.290 nan 0.000 0.541 55 H N 0.545 119.607 119.070 -0.013 0.000 2.551 55 H HA 0.649 5.223 4.556 0.030 0.000 0.358 55 H C 0.382 175.700 175.328 -0.015 0.000 1.151 55 H CA 0.149 56.238 56.048 0.069 0.000 1.374 55 H CB 0.842 30.703 29.762 0.165 0.000 1.473 55 H HN 0.401 nan 8.280 nan 0.000 0.574 56 K N 3.780 123.837 120.400 -0.572 0.000 2.211 56 K HA 0.122 4.460 4.320 0.030 0.000 0.275 56 K C -1.004 175.562 176.600 -0.057 0.000 1.024 56 K CA -0.134 55.634 56.287 -0.865 0.000 0.887 56 K CB 1.034 32.383 32.500 -1.919 0.000 1.084 56 K HN 0.578 nan 8.250 nan 0.000 0.463 57 W N 3.661 125.158 121.300 0.329 0.000 2.165 57 W HA 0.165 4.845 4.660 0.034 0.000 0.288 57 W C -0.112 176.539 176.519 0.220 0.000 0.900 57 W CA -0.783 56.658 57.345 0.161 0.000 1.914 57 W CB 0.894 30.363 29.460 0.015 0.000 2.091 57 W HN 0.337 nan 8.180 nan 0.000 0.399 58 Q N 0.230 120.288 119.800 0.430 0.000 2.524 58 Q HA -0.029 4.329 4.340 0.030 0.000 0.246 58 Q C 1.693 177.885 176.000 0.321 0.000 1.063 58 Q CA 0.239 56.267 55.803 0.375 0.000 0.945 58 Q CB 0.702 29.642 28.738 0.336 0.000 1.292 58 Q HN 0.682 nan 8.270 nan 0.000 0.518 59 C N -1.336 118.115 119.300 0.252 0.000 2.419 59 C HA -0.034 4.445 4.460 0.030 0.000 0.281 59 C C 2.241 177.363 174.990 0.220 0.000 1.336 59 C CA 0.069 59.190 59.018 0.173 0.000 1.770 59 C CB -0.997 26.749 27.740 0.010 0.000 1.929 59 C HN 0.586 nan 8.230 nan 0.000 0.509 60 V N 1.316 121.370 119.914 0.234 0.000 2.488 60 V HA -0.126 4.013 4.120 0.030 0.000 0.246 60 V C 3.085 179.337 176.094 0.263 0.000 1.046 60 V CA 2.144 64.619 62.300 0.291 0.000 1.053 60 V CB -0.768 31.217 31.823 0.270 0.000 0.679 60 V HN 0.589 nan 8.190 nan 0.000 0.458 61 E N 0.292 120.626 120.200 0.222 0.000 2.077 61 E HA -0.252 4.116 4.350 0.030 0.000 0.193 61 E C 2.140 178.880 176.600 0.234 0.000 0.989 61 E CA 1.681 58.173 56.400 0.154 0.000 0.800 61 E CB -0.233 29.588 29.700 0.202 0.000 0.746 61 E HN 0.550 nan 8.360 nan 0.000 0.452 62 F N 1.383 121.453 119.950 0.201 0.000 2.051 62 F HA -0.119 4.427 4.527 0.030 0.000 0.296 62 F C 2.323 178.251 175.800 0.214 0.000 1.122 62 F CA 2.108 60.223 58.000 0.192 0.000 1.201 62 F CB -0.807 38.278 39.000 0.141 0.000 0.978 62 F HN 0.061 nan 8.300 nan 0.000 0.472 63 A N 0.830 123.780 122.820 0.216 0.000 1.903 63 A HA -0.295 4.043 4.320 0.030 0.000 0.219 63 A C 2.438 180.145 177.584 0.205 0.000 1.191 63 A CA 2.212 54.355 52.037 0.175 0.000 0.638 63 A CB -1.047 18.166 19.000 0.355 0.000 0.823 63 A HN 0.560 nan 8.150 nan 0.000 0.451 64 R N -0.729 119.859 120.500 0.145 0.000 2.073 64 R HA -0.095 4.263 4.340 0.030 0.000 0.229 64 R C 2.448 178.720 176.300 -0.046 0.000 1.120 64 R CA 1.458 57.483 56.100 -0.126 0.000 0.967 64 R CB -0.268 29.716 30.300 -0.528 0.000 0.862 64 R HN 0.556 nan 8.270 nan 0.000 0.436 65 R N -0.456 120.022 120.500 -0.036 0.000 2.075 65 R HA -0.158 4.201 4.340 0.030 0.000 0.232 65 R C 2.060 178.335 176.300 -0.042 0.000 1.126 65 R CA 1.679 57.790 56.100 0.019 0.000 0.963 65 R CB -0.474 29.853 30.300 0.045 0.000 0.858 65 R HN 0.274 nan 8.270 nan 0.000 0.435 66 F N 1.084 120.824 119.950 -0.350 0.000 2.126 66 F HA -0.177 4.367 4.527 0.028 0.000 0.299 66 F C 1.699 177.319 175.800 -0.300 0.000 1.096 66 F CA 1.549 59.295 58.000 -0.423 0.000 1.255 66 F CB -0.007 38.587 39.000 -0.676 0.000 0.997 66 F HN -0.001 nan 8.300 nan 0.000 0.479 67 L N -1.241 120.057 121.223 0.125 0.000 2.109 67 L HA -0.176 4.182 4.340 0.030 0.000 0.207 67 L C 2.347 179.236 176.870 0.032 0.000 1.086 67 L CA 1.003 55.922 54.840 0.131 0.000 0.760 67 L CB -0.963 41.303 42.059 0.345 0.000 0.910 67 L HN 0.222 nan 8.230 nan 0.000 0.437 68 F N 1.221 121.111 119.950 -0.101 0.000 2.113 68 F HA -0.145 4.405 4.527 0.038 0.000 0.297 68 F C 2.187 177.899 175.800 -0.147 0.000 1.103 68 F CA 1.405 59.349 58.000 -0.093 0.000 1.248 68 F CB -0.273 38.672 39.000 -0.092 0.000 0.999 68 F HN -0.146 nan 8.300 nan 0.000 0.475 69 L N -0.130 120.867 121.223 -0.376 0.000 2.201 69 L HA -0.175 4.183 4.340 0.030 0.000 0.212 69 L C 1.549 178.107 176.870 -0.520 0.000 1.105 69 L CA 1.673 56.214 54.840 -0.498 0.000 0.775 69 L CB -0.692 41.166 42.059 -0.335 0.000 0.913 69 L HN 0.261 nan 8.230 nan 0.000 0.440 70 N N -2.065 116.243 118.700 -0.653 0.000 2.414 70 N HA 0.009 4.767 4.740 0.030 0.000 0.177 70 N C 1.012 176.247 175.510 -0.458 0.000 1.062 70 N CA 0.303 52.926 53.050 -0.711 0.000 0.890 70 N CB 0.388 38.164 38.487 -1.185 0.000 1.070 70 N HN 0.274 nan 8.380 nan 0.000 0.454 71 Y N -0.822 119.411 120.300 -0.113 0.000 2.471 71 Y HA 0.340 4.907 4.550 0.028 0.000 0.249 71 Y C 1.190 177.072 175.900 -0.031 0.000 1.116 71 Y CA -0.470 57.608 58.100 -0.036 0.000 1.240 71 Y CB 1.167 39.650 38.460 0.038 0.000 1.251 71 Y HN -0.081 nan 8.280 nan 0.000 0.527 72 G N 2.225 111.021 108.800 -0.006 0.000 2.338 72 G HA2 -0.184 3.794 3.960 0.030 0.000 0.296 72 G HA3 -0.184 3.794 3.960 0.030 0.000 0.296 72 G C -0.291 174.731 174.900 0.202 0.000 1.040 72 G CA 0.544 45.648 45.100 0.008 0.000 1.004 72 G HN 0.488 nan 8.290 nan 0.000 0.509 73 V N -4.036 116.037 119.914 0.265 0.000 3.159 73 V HA 0.953 5.091 4.120 0.030 0.000 0.308 73 V C -0.188 176.046 176.094 0.234 0.000 1.190 73 V CA -0.622 61.827 62.300 0.248 0.000 1.037 73 V CB 2.158 34.121 31.823 0.233 0.000 1.060 73 V HN 1.587 nan 8.190 nan 0.000 0.437 74 V N 2.521 122.521 119.914 0.144 0.000 3.204 74 V HA 0.796 4.934 4.120 0.030 0.000 0.298 74 V C -1.465 174.621 176.094 -0.014 0.000 1.328 74 V CA -0.663 61.637 62.300 -0.001 0.000 1.035 74 V CB 2.312 34.068 31.823 -0.111 0.000 1.095 74 V HN 1.464 nan 8.190 nan 0.000 0.442 75 F N 2.007 121.945 119.950 -0.020 0.000 2.458 75 F HA 0.801 5.344 4.527 0.026 0.000 0.330 75 F C 0.530 176.295 175.800 -0.058 0.000 1.082 75 F CA -0.471 57.463 58.000 -0.111 0.000 0.995 75 F CB 0.968 39.905 39.000 -0.105 0.000 1.170 75 F HN 0.649 nan 8.300 nan 0.000 0.478 76 T N 0.635 115.242 114.554 0.088 0.000 2.623 76 T HA -0.077 4.291 4.350 0.030 0.000 0.359 76 T C -0.399 174.406 174.700 0.176 0.000 1.077 76 T CA 0.249 62.440 62.100 0.151 0.000 1.075 76 T CB -0.007 69.003 68.868 0.237 0.000 0.999 76 T HN 0.859 nan 8.240 nan 0.000 0.548 77 D N 0.306 120.802 120.400 0.161 0.000 2.308 77 D HA 0.412 5.070 4.640 0.030 0.000 0.251 77 D C -0.334 176.053 176.300 0.145 0.000 1.127 77 D CA -0.321 53.774 54.000 0.159 0.000 0.876 77 D CB 0.666 41.552 40.800 0.143 0.000 1.176 77 D HN 0.463 nan 8.370 nan 0.000 0.446 78 V N 1.255 121.254 119.914 0.141 0.000 3.001 78 V HA 0.789 4.928 4.120 0.030 0.000 0.314 78 V C 1.213 177.310 176.094 0.005 0.000 1.099 78 V CA -0.197 62.130 62.300 0.044 0.000 0.989 78 V CB 1.358 33.182 31.823 0.002 0.000 1.040 78 V HN 0.530 nan 8.190 nan 0.000 0.434 79 G N 2.202 110.957 108.800 -0.074 0.000 2.414 79 G HA2 0.106 4.084 3.960 0.030 0.000 0.215 79 G HA3 0.106 4.084 3.960 0.030 0.000 0.215 79 G C 0.563 175.426 174.900 -0.063 0.000 1.188 79 G CA 0.823 45.886 45.100 -0.061 0.000 0.783 79 G HN 0.552 nan 8.290 nan 0.000 0.537 80 M N -1.249 118.237 119.600 -0.190 0.000 2.619 80 M HA 0.584 5.083 4.480 0.030 0.000 0.297 80 M C 1.333 177.476 176.300 -0.262 0.000 1.229 80 M CA -1.070 54.132 55.300 -0.164 0.000 0.860 80 M CB 1.500 34.049 32.600 -0.085 0.000 1.741 80 M HN 0.114 nan 8.290 nan 0.000 0.462 81 A N 2.235 125.018 122.820 -0.060 0.000 1.892 81 A HA -0.143 4.196 4.320 0.030 0.000 0.218 81 A C 1.650 179.205 177.584 -0.047 0.000 1.188 81 A CA 2.196 54.217 52.037 -0.027 0.000 0.631 81 A CB -0.929 18.106 19.000 0.058 0.000 0.822 81 A HN 0.946 nan 8.150 nan 0.000 0.447 82 W N 0.538 121.891 121.300 0.089 0.000 2.480 82 W HA -0.111 4.574 4.660 0.042 0.000 0.257 82 W C 0.782 177.366 176.519 0.109 0.000 1.235 82 W CA 1.047 58.454 57.345 0.105 0.000 1.218 82 W CB -0.782 28.749 29.460 0.118 0.000 1.131 82 W HN 0.538 nan 8.180 nan 0.000 0.606 83 E N 0.982 120.790 120.200 -0.654 0.000 2.435 83 E HA -0.036 4.332 4.350 0.030 0.000 0.195 83 E C 2.109 178.587 176.600 -0.203 0.000 1.029 83 E CA 0.551 56.593 56.400 -0.596 0.000 0.865 83 E CB -0.186 29.038 29.700 -0.792 0.000 0.833 83 E HN 0.347 nan 8.360 nan 0.000 0.510 84 I N 0.479 120.957 120.570 -0.155 0.000 2.614 84 I HA -0.196 3.992 4.170 0.030 0.000 0.258 84 I C 1.868 177.968 176.117 -0.028 0.000 1.189 84 I CA 0.693 61.887 61.300 -0.176 0.000 1.462 84 I CB -0.138 37.650 38.000 -0.354 0.000 1.092 84 I HN 0.072 nan 8.210 nan 0.000 0.442 85 F N 1.270 121.173 119.950 -0.078 0.000 2.699 85 F HA -0.045 4.500 4.527 0.030 0.000 0.298 85 F C 2.255 178.036 175.800 -0.032 0.000 1.154 85 F CA 0.708 58.684 58.000 -0.039 0.000 1.457 85 F CB -0.177 38.838 39.000 0.026 0.000 1.106 85 F HN -0.086 nan 8.300 nan 0.000 0.585 86 S N -0.197 115.485 115.700 -0.029 0.000 2.503 86 S HA 0.216 4.704 4.470 0.030 0.000 0.217 86 S C 0.774 175.332 174.600 -0.070 0.000 0.999 86 S CA -0.232 57.927 58.200 -0.068 0.000 0.914 86 S CB -0.031 63.179 63.200 0.016 0.000 0.782 86 S HN 0.048 nan 8.310 nan 0.000 0.520 87 L N 2.127 123.313 121.223 -0.062 0.000 2.461 87 L HA 0.263 4.621 4.340 0.030 0.000 0.272 87 L C 1.144 178.001 176.870 -0.022 0.000 1.197 87 L CA -0.036 54.801 54.840 -0.006 0.000 0.836 87 L CB 0.273 42.278 42.059 -0.090 0.000 1.105 87 L HN 0.008 nan 8.230 nan 0.000 0.477 88 R N 3.562 124.143 120.500 0.133 0.000 2.659 88 R HA 0.282 4.641 4.340 0.030 0.000 0.418 88 R C -1.189 175.269 176.300 0.263 0.000 1.076 88 R CA -0.141 56.018 56.100 0.098 0.000 1.093 88 R CB 0.355 30.677 30.300 0.036 0.000 1.400 88 R HN 0.574 nan 8.270 nan 0.000 0.583 89 F N -2.099 117.873 119.950 0.037 0.000 2.725 89 F HA 0.573 5.110 4.527 0.016 0.000 0.309 89 F C -1.992 173.878 175.800 0.117 0.000 1.132 89 F CA -1.326 56.718 58.000 0.074 0.000 0.957 89 F CB 0.979 40.033 39.000 0.091 0.000 1.286 89 F HN -0.222 nan 8.300 nan 0.000 0.440 90 L N 2.512 123.693 121.223 -0.071 0.000 2.333 90 L HA 0.646 5.005 4.340 0.030 0.000 0.263 90 L C -0.591 176.355 176.870 0.127 0.000 1.014 90 L CA -1.153 53.634 54.840 -0.089 0.000 0.820 90 L CB 2.381 44.475 42.059 0.057 0.000 1.352 90 L HN 0.861 nan 8.230 nan 0.000 0.421 91 R N 1.706 122.285 120.500 0.132 0.000 2.255 91 R HA 0.242 4.600 4.340 0.030 0.000 0.326 91 R C -0.591 175.826 176.300 0.195 0.000 0.986 91 R CA -0.481 55.756 56.100 0.228 0.000 0.847 91 R CB 1.214 31.656 30.300 0.237 0.000 1.111 91 R HN 0.593 nan 8.270 nan 0.000 0.452 92 E N 3.958 124.278 120.200 0.200 0.000 2.129 92 E HA 0.041 4.409 4.350 0.030 0.000 0.283 92 E C 0.701 177.405 176.600 0.175 0.000 1.080 92 E CA -0.296 56.209 56.400 0.176 0.000 0.867 92 E CB 1.236 31.027 29.700 0.152 0.000 1.056 92 E HN 0.547 nan 8.360 nan 0.000 0.404 93 V N 4.609 124.641 119.914 0.196 0.000 2.490 93 V HA -0.208 3.931 4.120 0.030 0.000 0.250 93 V C 1.948 178.136 176.094 0.156 0.000 1.061 93 V CA 1.760 64.182 62.300 0.203 0.000 1.064 93 V CB -0.256 31.774 31.823 0.345 0.000 0.670 93 V HN 0.760 nan 8.190 nan 0.000 0.461 94 V N 0.007 119.997 119.914 0.127 0.000 3.592 94 V HA 0.071 4.209 4.120 0.030 0.000 0.272 94 V C 0.869 176.990 176.094 0.044 0.000 1.228 94 V CA 1.630 63.976 62.300 0.078 0.000 1.173 94 V CB -1.542 30.315 31.823 0.056 0.000 0.873 94 V HN 0.937 nan 8.190 nan 0.000 0.476 95 N N -2.350 116.385 118.700 0.059 0.000 2.093 95 N HA 0.049 4.807 4.740 0.030 0.000 0.226 95 N C -0.500 175.055 175.510 0.076 0.000 1.388 95 N CA -0.009 53.067 53.050 0.044 0.000 0.752 95 N CB 0.049 38.567 38.487 0.051 0.000 1.240 95 N HN 0.148 nan 8.380 nan 0.000 0.529 96 D N 1.188 121.647 120.400 0.098 0.000 2.692 96 D HA -0.206 4.452 4.640 0.030 0.000 0.233 96 D C -0.669 175.796 176.300 0.275 0.000 1.172 96 D CA 1.183 55.282 54.000 0.164 0.000 0.636 96 D CB -1.059 39.824 40.800 0.138 0.000 1.028 96 D HN 0.635 nan 8.370 nan 0.000 0.419 97 N N -0.091 118.771 118.700 0.272 0.000 2.466 97 N HA 0.497 5.256 4.740 0.030 0.000 0.294 97 N C -0.833 174.865 175.510 0.313 0.000 1.129 97 N CA -0.590 52.678 53.050 0.362 0.000 0.931 97 N CB 0.758 39.384 38.487 0.231 0.000 1.193 97 N HN -0.068 nan 8.380 nan 0.000 0.500 98 I N 2.303 123.029 120.570 0.261 0.000 2.353 98 I HA 0.350 4.538 4.170 0.030 0.000 0.293 98 I C -0.298 175.939 176.117 0.201 0.000 0.992 98 I CA -0.239 61.209 61.300 0.248 0.000 1.268 98 I CB 0.972 39.080 38.000 0.180 0.000 1.387 98 I HN 0.430 nan 8.210 nan 0.000 0.478 99 L N 7.987 129.351 121.223 0.235 0.000 2.334 99 L HA 0.587 4.945 4.340 0.030 0.000 0.276 99 L C -2.248 174.729 176.870 0.179 0.000 1.014 99 L CA -1.834 53.104 54.840 0.164 0.000 0.815 99 L CB 2.138 44.275 42.059 0.131 0.000 1.268 99 L HN 0.370 nan 8.230 nan 0.000 0.428 100 P HA 0.166 nan 4.420 nan 0.000 0.276 100 P C -1.207 176.140 177.300 0.078 0.000 1.230 100 P CA -0.357 62.806 63.100 0.105 0.000 0.776 100 P CB 1.781 33.516 31.700 0.057 0.000 0.888 101 L N 3.629 124.889 121.223 0.062 0.000 2.406 101 L HA 0.365 4.723 4.340 0.030 0.000 0.272 101 L C -0.465 176.375 176.870 -0.050 0.000 0.980 101 L CA -0.430 54.423 54.840 0.022 0.000 0.831 101 L CB 1.734 43.798 42.059 0.009 0.000 1.253 101 L HN 0.198 nan 8.230 nan 0.000 0.406 102 Q N 3.133 122.892 119.800 -0.068 0.000 2.227 102 Q HA 0.763 5.121 4.340 0.030 0.000 0.245 102 Q C -0.525 175.213 176.000 -0.436 0.000 0.926 102 Q CA -0.313 55.318 55.803 -0.285 0.000 0.895 102 Q CB 1.837 30.383 28.738 -0.319 0.000 1.230 102 Q HN 0.778 nan 8.270 nan 0.000 0.450 103 A N 1.593 123.972 122.820 -0.735 0.000 2.337 103 A HA 0.857 5.195 4.320 0.030 0.000 0.331 103 A C -1.228 175.771 177.584 -0.975 0.000 1.137 103 A CA -0.484 51.124 52.037 -0.714 0.000 0.807 103 A CB 0.810 19.227 19.000 -0.972 0.000 1.250 103 A HN 0.536 nan 8.150 nan 0.000 0.468 104 F N 1.476 121.313 119.950 -0.190 0.000 2.569 104 F HA 0.502 5.048 4.527 0.032 0.000 0.312 104 F C -2.328 173.224 175.800 -0.414 0.000 1.109 104 F CA -1.976 55.809 58.000 -0.359 0.000 0.919 104 F CB 2.768 41.392 39.000 -0.626 0.000 1.211 104 F HN 0.339 nan 8.300 nan 0.000 0.446 105 P HA 0.009 nan 4.420 nan 0.000 0.275 105 P C -0.578 176.501 177.300 -0.368 0.000 1.227 105 P CA -0.274 62.739 63.100 -0.145 0.000 0.781 105 P CB 0.944 32.627 31.700 -0.027 0.000 0.906 106 N N 2.238 120.759 118.700 -0.298 0.000 2.411 106 N HA 0.061 4.819 4.740 0.030 0.000 0.261 106 N C 1.226 176.768 175.510 0.052 0.000 1.248 106 N CA 1.893 54.898 53.050 -0.076 0.000 0.885 106 N CB -0.708 37.782 38.487 0.004 0.000 1.062 106 N HN 0.768 nan 8.380 nan 0.000 0.471 107 G N 1.403 110.352 108.800 0.249 0.000 2.135 107 G HA2 -0.198 3.780 3.960 0.030 0.000 0.183 107 G HA3 -0.198 3.780 3.960 0.030 0.000 0.183 107 G C -0.011 174.990 174.900 0.168 0.000 1.004 107 G CA 0.206 45.419 45.100 0.189 0.000 0.677 107 G HN 0.812 nan 8.290 nan 0.000 0.512 108 S N -0.226 115.624 115.700 0.250 0.000 2.616 108 S HA 0.655 5.143 4.470 0.030 0.000 0.277 108 S C -0.645 174.092 174.600 0.228 0.000 1.234 108 S CA -0.958 57.348 58.200 0.176 0.000 1.028 108 S CB 1.500 64.784 63.200 0.139 0.000 0.988 108 S HN -0.032 nan 8.310 nan 0.000 0.522 109 P HA 0.037 nan 4.420 nan 0.000 0.230 109 P C -0.177 177.208 177.300 0.140 0.000 1.158 109 P CA 0.531 63.567 63.100 -0.107 0.000 0.769 109 P CB 0.124 31.303 31.700 -0.868 0.000 0.807 110 R N 0.965 121.568 120.500 0.172 0.000 2.202 110 R HA 0.524 4.882 4.340 0.030 0.000 0.334 110 R C -0.493 175.758 176.300 -0.082 0.000 1.036 110 R CA -0.648 55.488 56.100 0.061 0.000 0.878 110 R CB -0.360 29.763 30.300 -0.294 0.000 1.067 110 R HN -0.113 nan 8.270 nan 0.000 0.457 111 A N 6.622 129.132 122.820 -0.517 0.000 2.425 111 A HA 0.338 4.676 4.320 0.030 0.000 0.249 111 A C -1.920 175.208 177.584 -0.760 0.000 1.084 111 A CA -1.286 50.119 52.037 -1.054 0.000 0.781 111 A CB -0.060 18.157 19.000 -1.306 0.000 1.019 111 A HN 0.765 nan 8.150 nan 0.000 0.490 112 P HA 0.101 nan 4.420 nan 0.000 0.241 112 P C 0.266 177.209 177.300 -0.594 0.000 1.760 112 P CA 0.110 62.424 63.100 -1.310 0.000 1.081 112 P CB -0.087 30.553 31.700 -1.766 0.000 1.975 113 V N 3.184 122.870 119.914 -0.380 0.000 3.209 113 V HA 0.152 4.290 4.120 0.030 0.000 0.305 113 V C 0.619 176.636 176.094 -0.129 0.000 1.127 113 V CA 0.031 62.203 62.300 -0.213 0.000 1.235 113 V CB 0.277 32.016 31.823 -0.140 0.000 0.987 113 V HN 0.575 nan 8.190 nan 0.000 0.499 114 A N 4.130 126.907 122.820 -0.072 0.000 2.462 114 A HA 0.555 4.893 4.320 0.030 0.000 0.243 114 A C 1.508 179.134 177.584 0.070 0.000 1.076 114 A CA 0.516 52.554 52.037 0.002 0.000 0.773 114 A CB -0.092 18.923 19.000 0.026 0.000 1.010 114 A HN 2.610 nan 8.150 nan 0.000 0.493 115 G N 0.510 109.395 108.800 0.141 0.000 2.317 115 G HA2 0.123 4.101 3.960 0.030 0.000 0.227 115 G HA3 0.123 4.101 3.960 0.030 0.000 0.227 115 G C 0.821 175.842 174.900 0.203 0.000 1.042 115 G CA 0.485 45.751 45.100 0.277 0.000 0.623 115 G HN 2.271 nan 8.290 nan 0.000 0.509 116 A N 0.613 123.501 122.820 0.114 0.000 2.507 116 A HA 0.582 4.920 4.320 0.030 0.000 0.235 116 A C 0.617 178.298 177.584 0.161 0.000 1.070 116 A CA 0.509 52.635 52.037 0.149 0.000 0.768 116 A CB 0.162 19.257 19.000 0.157 0.000 1.011 116 A HN 1.040 nan 8.150 nan 0.000 0.502 117 L N 0.848 122.187 121.223 0.195 0.000 2.326 117 L HA 0.404 4.762 4.340 0.030 0.000 0.278 117 L C -0.285 176.707 176.870 0.204 0.000 1.092 117 L CA -0.434 54.503 54.840 0.162 0.000 0.810 117 L CB 1.160 43.284 42.059 0.109 0.000 1.153 117 L HN 0.650 nan 8.230 nan 0.000 0.439 118 L N 4.711 126.034 121.223 0.167 0.000 2.319 118 L HA 0.580 4.938 4.340 0.030 0.000 0.281 118 L C -0.829 176.097 176.870 0.093 0.000 1.005 118 L CA -0.065 54.857 54.840 0.137 0.000 0.828 118 L CB 1.280 43.408 42.059 0.115 0.000 1.227 118 L HN 0.314 nan 8.230 nan 0.000 0.415 119 I N 4.619 125.163 120.570 -0.043 0.000 2.441 119 I HA 0.371 4.559 4.170 0.030 0.000 0.295 119 I C -0.735 175.317 176.117 -0.107 0.000 0.994 119 I CA -0.278 61.018 61.300 -0.006 0.000 1.144 119 I CB 1.481 39.479 38.000 -0.004 0.000 1.314 119 I HN 0.458 nan 8.210 nan 0.000 0.445 120 W N 4.112 125.427 121.300 0.025 0.000 2.469 120 W HA 0.259 4.935 4.660 0.028 0.000 0.320 120 W C 0.296 176.906 176.519 0.152 0.000 1.086 120 W CA -0.124 57.291 57.345 0.117 0.000 1.211 120 W CB 1.839 31.419 29.460 0.200 0.000 1.298 120 W HN 0.494 nan 8.180 nan 0.000 0.525 121 D N 1.893 122.480 120.400 0.313 0.000 2.398 121 D HA 0.100 4.758 4.640 0.030 0.000 0.264 121 D C -0.268 176.183 176.300 0.252 0.000 1.263 121 D CA 0.089 54.231 54.000 0.236 0.000 1.037 121 D CB 0.888 41.730 40.800 0.070 0.000 1.101 121 D HN 0.232 nan 8.370 nan 0.000 0.551 122 K N -0.631 119.763 120.400 -0.010 0.000 2.156 122 K HA 0.638 4.976 4.320 0.030 0.000 0.271 122 K C -0.154 176.449 176.600 0.006 0.000 0.995 122 K CA -0.893 55.395 56.287 0.002 0.000 0.890 122 K CB 1.379 33.735 32.500 -0.240 0.000 1.073 122 K HN 0.457 nan 8.250 nan 0.000 0.454 123 G N 0.827 109.666 108.800 0.064 0.000 2.312 123 G HA2 0.379 4.357 3.960 0.030 0.000 0.322 123 G HA3 0.379 4.357 3.960 0.030 0.000 0.322 123 G C 0.061 174.959 174.900 -0.004 0.000 1.645 123 G CA -0.061 45.050 45.100 0.018 0.000 0.919 123 G HN 1.097 nan 8.290 nan 0.000 0.699 124 G N 1.363 110.127 108.800 -0.059 0.000 2.509 124 G HA2 -0.030 3.948 3.960 0.030 0.000 0.256 124 G HA3 -0.030 3.948 3.960 0.030 0.000 0.256 124 G C 1.085 175.824 174.900 -0.269 0.000 1.152 124 G CA 1.085 46.101 45.100 -0.139 0.000 0.951 124 G HN 1.789 nan 8.290 nan 0.000 0.559 125 E N 0.427 120.291 120.200 -0.560 0.000 2.085 125 E HA 0.018 4.387 4.350 0.030 0.000 0.194 125 E C 1.724 177.950 176.600 -0.623 0.000 0.994 125 E CA 1.872 57.759 56.400 -0.856 0.000 0.801 125 E CB -0.335 28.261 29.700 -1.840 0.000 0.743 125 E HN 0.462 nan 8.360 nan 0.000 0.453 126 F N 0.900 120.701 119.950 -0.248 0.000 2.871 126 F HA 0.227 4.773 4.527 0.032 0.000 0.317 126 F C 1.313 177.103 175.800 -0.017 0.000 1.193 126 F CA -0.819 57.108 58.000 -0.120 0.000 1.311 126 F CB 0.024 38.980 39.000 -0.073 0.000 1.380 126 F HN -0.143 nan 8.300 nan 0.000 0.557 127 K N 0.918 121.362 120.400 0.074 0.000 2.463 127 K HA -0.310 4.029 4.320 0.030 0.000 0.221 127 K C 1.144 177.793 176.600 0.082 0.000 0.697 127 K CA 2.453 58.771 56.287 0.052 0.000 0.893 127 K CB -0.299 32.224 32.500 0.038 0.000 0.389 127 K HN 0.439 nan 8.250 nan 0.000 0.976 128 D N -1.151 119.317 120.400 0.113 0.000 2.324 128 D HA -0.040 4.618 4.640 0.030 0.000 0.212 128 D C 2.041 178.518 176.300 0.294 0.000 0.984 128 D CA 1.448 55.531 54.000 0.139 0.000 0.885 128 D CB -0.266 40.610 40.800 0.127 0.000 0.996 128 D HN 0.506 nan 8.370 nan 0.000 0.505 129 T N -0.566 114.163 114.554 0.292 0.000 2.643 129 T HA 0.181 4.549 4.350 0.030 0.000 0.264 129 T C 1.507 176.509 174.700 0.503 0.000 1.045 129 T CA 1.344 63.653 62.100 0.350 0.000 1.155 129 T CB -0.510 68.502 68.868 0.240 0.000 0.863 129 T HN 0.409 nan 8.240 nan 0.000 0.420 130 G N 0.875 109.918 108.800 0.404 0.000 2.451 130 G HA2 0.073 4.051 3.960 0.030 0.000 0.208 130 G HA3 0.073 4.051 3.960 0.030 0.000 0.208 130 G C -0.602 174.408 174.900 0.184 0.000 1.248 130 G CA -0.087 45.266 45.100 0.421 0.000 0.989 130 G HN 1.065 nan 8.290 nan 0.000 0.559 131 H N -1.876 117.185 119.070 -0.015 0.000 3.068 131 H HA 0.568 5.143 4.556 0.031 0.000 0.342 131 H C -1.782 173.588 175.328 0.069 0.000 1.284 131 H CA 0.092 55.953 56.048 -0.310 0.000 1.181 131 H CB 2.002 30.876 29.762 -1.480 0.000 1.898 131 H HN 1.254 nan 8.280 nan 0.000 0.540 132 V N 2.279 121.860 119.914 -0.554 0.000 2.841 132 V HA 0.870 5.009 4.120 0.030 0.000 0.310 132 V C -1.454 174.484 176.094 -0.259 0.000 1.090 132 V CA 0.350 62.538 62.300 -0.187 0.000 0.930 132 V CB 1.340 33.111 31.823 -0.086 0.000 1.014 132 V HN 0.983 nan 8.190 nan 0.000 0.425 133 A N 6.230 129.101 122.820 0.085 0.000 2.609 133 A HA 0.882 5.220 4.320 0.030 0.000 0.291 133 A C -1.668 176.018 177.584 0.170 0.000 1.096 133 A CA -0.676 51.458 52.037 0.162 0.000 0.684 133 A CB 1.744 20.922 19.000 0.296 0.000 1.282 133 A HN 0.708 nan 8.150 nan 0.000 0.412 134 I N 1.709 122.358 120.570 0.132 0.000 2.359 134 I HA 0.293 4.482 4.170 0.030 0.000 0.294 134 I C -0.356 175.766 176.117 0.009 0.000 0.987 134 I CA -0.541 60.744 61.300 -0.025 0.000 1.225 134 I CB 1.361 39.092 38.000 -0.448 0.000 1.366 134 I HN 0.391 nan 8.210 nan 0.000 0.466 135 I N 6.299 126.879 120.570 0.016 0.000 2.347 135 I HA 0.011 4.199 4.170 0.030 0.000 0.294 135 I C 1.691 177.816 176.117 0.014 0.000 1.090 135 I CA 0.274 61.581 61.300 0.011 0.000 1.314 135 I CB 0.567 38.542 38.000 -0.041 0.000 1.423 135 I HN 0.698 nan 8.210 nan 0.000 0.503 136 T N 3.417 117.999 114.554 0.046 0.000 2.852 136 T HA -0.000 4.368 4.350 0.030 0.000 0.256 136 T C 0.586 175.332 174.700 0.077 0.000 1.038 136 T CA 0.281 62.440 62.100 0.098 0.000 1.141 136 T CB 0.231 69.208 68.868 0.182 0.000 0.869 136 T HN 0.651 nan 8.240 nan 0.000 0.439 137 Q N 0.474 120.294 119.800 0.033 0.000 2.271 137 Q HA 0.644 5.002 4.340 0.030 0.000 0.268 137 Q C -1.733 174.226 176.000 -0.068 0.000 1.021 137 Q CA -1.172 54.609 55.803 -0.037 0.000 0.802 137 Q CB 1.878 30.598 28.738 -0.030 0.000 1.282 137 Q HN 0.350 nan 8.270 nan 0.000 0.431 138 L N 2.551 123.687 121.223 -0.144 0.000 2.295 138 L HA 0.538 4.896 4.340 0.030 0.000 0.285 138 L C -1.027 175.726 176.870 -0.195 0.000 1.035 138 L CA 0.193 54.967 54.840 -0.110 0.000 0.806 138 L CB 1.007 42.978 42.059 -0.148 0.000 1.214 138 L HN 0.830 nan 8.230 nan 0.000 0.426 139 H N 2.106 121.130 119.070 -0.077 0.000 3.766 139 H HA 0.614 5.188 4.556 0.030 0.000 0.238 139 H C 0.881 176.192 175.328 -0.029 0.000 1.565 139 H CA 0.293 56.308 56.048 -0.055 0.000 1.479 139 H CB 0.177 29.897 29.762 -0.071 0.000 0.719 139 H HN 0.617 nan 8.280 nan 0.000 0.717 140 G N -1.263 107.626 108.800 0.148 0.000 2.728 140 G HA2 -0.043 3.936 3.960 0.030 0.000 0.203 140 G HA3 -0.043 3.936 3.960 0.030 0.000 0.203 140 G C 0.466 175.383 174.900 0.029 0.000 1.073 140 G CA 0.435 45.574 45.100 0.064 0.000 0.778 140 G HN 0.679 nan 8.290 nan 0.000 0.553 141 N N -1.009 117.699 118.700 0.014 0.000 2.143 141 N HA 0.234 4.992 4.740 0.030 0.000 0.229 141 N C 0.018 175.502 175.510 -0.043 0.000 1.294 141 N CA -0.422 52.614 53.050 -0.023 0.000 0.883 141 N CB 0.546 39.010 38.487 -0.039 0.000 1.148 141 N HN 0.376 nan 8.380 nan 0.000 0.511 142 K N -0.737 119.640 120.400 -0.037 0.000 2.735 142 K HA 0.450 4.788 4.320 0.030 0.000 0.295 142 K C -1.627 174.955 176.600 -0.030 0.000 1.052 142 K CA -0.961 55.283 56.287 -0.070 0.000 0.853 142 K CB 1.398 33.809 32.500 -0.149 0.000 1.535 142 K HN -0.044 nan 8.250 nan 0.000 0.383 143 V N -2.020 117.861 119.914 -0.055 0.000 3.078 143 V HA 0.709 4.847 4.120 0.030 0.000 0.311 143 V C -1.197 174.848 176.094 -0.083 0.000 1.138 143 V CA -1.116 61.173 62.300 -0.018 0.000 1.007 143 V CB 1.979 33.764 31.823 -0.063 0.000 1.045 143 V HN 0.830 nan 8.190 nan 0.000 0.432 144 R N 2.231 122.688 120.500 -0.072 0.000 2.514 144 R HA 0.837 5.195 4.340 0.030 0.000 0.301 144 R C -0.638 175.674 176.300 0.019 0.000 0.962 144 R CA -0.523 55.494 56.100 -0.138 0.000 0.882 144 R CB 1.961 32.057 30.300 -0.339 0.000 1.143 144 R HN 0.951 nan 8.270 nan 0.000 0.452 145 I N -1.428 119.199 120.570 0.096 0.000 2.892 145 I HA 0.875 5.063 4.170 0.030 0.000 0.306 145 I C -0.911 175.318 176.117 0.186 0.000 1.078 145 I CA -1.103 60.286 61.300 0.149 0.000 1.032 145 I CB 2.476 40.602 38.000 0.211 0.000 1.229 145 I HN 0.562 nan 8.210 nan 0.000 0.435 146 A N 3.507 126.408 122.820 0.135 0.000 2.386 146 A HA 0.870 5.208 4.320 0.030 0.000 0.311 146 A C -0.710 176.802 177.584 -0.120 0.000 1.068 146 A CA -0.392 51.674 52.037 0.047 0.000 0.743 146 A CB 1.251 20.343 19.000 0.153 0.000 1.258 146 A HN 0.951 nan 8.150 nan 0.000 0.429 147 E N 0.637 120.574 120.200 -0.438 0.000 2.447 147 E HA 0.364 4.732 4.350 0.030 0.000 0.279 147 E C -0.491 175.702 176.600 -0.677 0.000 1.053 147 E CA -0.691 55.399 56.400 -0.516 0.000 0.840 147 E CB 1.124 30.791 29.700 -0.055 0.000 1.409 147 E HN 0.487 nan 8.360 nan 0.000 0.461 148 Q N -0.062 119.505 119.800 -0.388 0.000 2.322 148 Q HA 0.202 4.561 4.340 0.030 0.000 0.250 148 Q C -0.077 175.869 176.000 -0.090 0.000 0.853 148 Q CA 0.164 55.816 55.803 -0.253 0.000 0.951 148 Q CB 0.543 29.248 28.738 -0.055 0.000 1.114 148 Q HN 0.576 nan 8.270 nan 0.000 0.523 149 N N 0.007 118.745 118.700 0.062 0.000 2.806 149 N HA 0.235 4.994 4.740 0.030 0.000 0.315 149 N C -0.497 175.122 175.510 0.181 0.000 1.738 149 N CA -0.114 53.016 53.050 0.134 0.000 0.993 149 N CB 1.053 39.695 38.487 0.258 0.000 1.324 149 N HN -0.012 nan 8.380 nan 0.000 0.493 150 V N 0.188 120.162 119.914 0.100 0.000 3.273 150 V HA 0.264 4.403 4.120 0.030 0.000 0.208 150 V C 0.106 176.314 176.094 0.191 0.000 1.464 150 V CA 0.240 62.636 62.300 0.159 0.000 1.270 150 V CB 0.713 32.599 31.823 0.104 0.000 1.161 150 V HN 0.243 nan 8.190 nan 0.000 0.512 151 I N 0.878 121.473 120.570 0.043 0.000 2.354 151 I HA 0.414 4.602 4.170 0.030 0.000 0.292 151 I C 0.171 176.229 176.117 -0.099 0.000 0.989 151 I CA -0.215 61.105 61.300 0.032 0.000 1.188 151 I CB 1.326 39.302 38.000 -0.039 0.000 1.342 151 I HN 0.288 nan 8.210 nan 0.000 0.457 152 H N 2.675 121.744 119.070 -0.003 0.000 2.581 152 H HA 0.201 4.775 4.556 0.030 0.000 0.275 152 H C -0.043 175.269 175.328 -0.026 0.000 1.126 152 H CA -0.250 55.793 56.048 -0.009 0.000 1.097 152 H CB 0.476 30.253 29.762 0.025 0.000 1.626 152 H HN 0.533 nan 8.280 nan 0.000 0.565 153 S N -0.512 115.207 115.700 0.032 0.000 2.513 153 S HA 0.538 5.026 4.470 0.030 0.000 0.299 153 S C -2.973 171.590 174.600 -0.062 0.000 1.087 153 S CA -1.975 56.223 58.200 -0.004 0.000 1.012 153 S CB 2.605 65.812 63.200 0.011 0.000 1.044 153 S HN -0.165 nan 8.310 nan 0.000 0.485 154 P HA 0.071 nan 4.420 nan 0.000 0.263 154 P C -0.798 176.436 177.300 -0.111 0.000 1.168 154 P CA 0.224 63.265 63.100 -0.099 0.000 0.759 154 P CB 0.200 31.856 31.700 -0.074 0.000 0.782 155 L N 5.856 126.991 121.223 -0.147 0.000 2.379 155 L HA 0.363 4.722 4.340 0.030 0.000 0.269 155 L C -1.825 174.944 176.870 -0.169 0.000 1.084 155 L CA -2.345 52.389 54.840 -0.178 0.000 0.802 155 L CB 0.252 42.172 42.059 -0.232 0.000 1.175 155 L HN 0.212 nan 8.230 nan 0.000 0.448 156 P HA -0.042 nan 4.420 nan 0.000 0.258 156 P C -1.100 176.106 177.300 -0.157 0.000 1.172 156 P CA -0.152 62.848 63.100 -0.166 0.000 0.762 156 P CB 0.195 31.771 31.700 -0.206 0.000 0.764 157 Q N 2.843 122.583 119.800 -0.100 0.000 2.687 157 Q HA 0.206 4.564 4.340 0.030 0.000 0.341 157 Q C 1.634 177.586 176.000 -0.081 0.000 1.074 157 Q CA 1.797 57.556 55.803 -0.075 0.000 1.115 157 Q CB -0.967 27.741 28.738 -0.050 0.000 0.996 157 Q HN 0.798 nan 8.270 nan 0.000 0.397 158 G N 1.817 110.573 108.800 -0.074 0.000 2.176 158 G HA2 -0.340 3.638 3.960 0.030 0.000 0.253 158 G HA3 -0.340 3.638 3.960 0.030 0.000 0.253 158 G C -0.004 174.830 174.900 -0.110 0.000 0.979 158 G CA 0.041 45.100 45.100 -0.067 0.000 0.641 158 G HN 0.558 nan 8.290 nan 0.000 0.530 159 Q N 0.271 119.940 119.800 -0.219 0.000 2.294 159 Q HA 0.474 4.832 4.340 0.030 0.000 0.257 159 Q C 0.465 176.250 176.000 -0.359 0.000 0.955 159 Q CA -0.165 55.367 55.803 -0.453 0.000 0.936 159 Q CB 0.355 28.642 28.738 -0.753 0.000 1.188 159 Q HN 0.546 nan 8.270 nan 0.000 0.420 160 Q N 5.368 125.030 119.800 -0.231 0.000 2.404 160 Q HA 0.204 4.562 4.340 0.030 0.000 0.368 160 Q C -1.257 174.851 176.000 0.180 0.000 0.939 160 Q CA -0.220 55.591 55.803 0.014 0.000 1.099 160 Q CB 0.496 29.317 28.738 0.137 0.000 1.284 160 Q HN 0.512 nan 8.270 nan 0.000 0.421 161 W N -1.317 120.010 121.300 0.045 0.000 3.363 161 W HA 0.269 4.947 4.660 0.029 0.000 0.306 161 W C -0.001 176.514 176.519 -0.006 0.000 1.253 161 W CA -0.798 56.566 57.345 0.031 0.000 1.195 161 W CB 0.518 30.009 29.460 0.051 0.000 1.366 161 W HN -0.011 nan 8.180 nan 0.000 0.551 162 T N -1.173 113.577 114.554 0.327 0.000 3.039 162 T HA 0.330 4.699 4.350 0.030 0.000 0.250 162 T C 0.530 175.423 174.700 0.322 0.000 1.052 162 T CA 0.368 62.578 62.100 0.184 0.000 1.125 162 T CB 0.665 69.551 68.868 0.030 0.000 0.908 162 T HN 0.448 nan 8.240 nan 0.000 0.473 163 R N 0.062 120.790 120.500 0.380 0.000 2.734 163 R HA 0.541 4.899 4.340 0.030 0.000 0.271 163 R C -1.564 174.782 176.300 0.077 0.000 1.021 163 R CA -0.755 55.495 56.100 0.250 0.000 0.893 163 R CB 1.956 32.346 30.300 0.149 0.000 1.244 163 R HN 0.250 nan 8.270 nan 0.000 0.464 164 E N 1.867 122.039 120.200 -0.048 0.000 2.195 164 E HA 0.487 4.855 4.350 0.030 0.000 0.271 164 E C -0.896 175.668 176.600 -0.061 0.000 0.923 164 E CA -0.729 55.565 56.400 -0.177 0.000 0.790 164 E CB 2.188 31.704 29.700 -0.306 0.000 1.155 164 E HN 0.216 nan 8.360 nan 0.000 0.402 165 L N 2.106 123.301 121.223 -0.047 0.000 2.376 165 L HA 0.318 4.677 4.340 0.030 0.000 0.275 165 L C 0.075 176.931 176.870 -0.023 0.000 0.987 165 L CA -0.706 54.139 54.840 0.009 0.000 0.828 165 L CB 1.814 43.924 42.059 0.085 0.000 1.249 165 L HN 0.572 nan 8.230 nan 0.000 0.409 166 E N 4.227 124.415 120.200 -0.021 0.000 2.558 166 E HA 0.034 4.402 4.350 0.030 0.000 0.255 166 E C -0.849 175.743 176.600 -0.012 0.000 0.968 166 E CA 0.247 56.630 56.400 -0.027 0.000 0.939 166 E CB 0.824 30.512 29.700 -0.019 0.000 0.921 166 E HN 0.470 nan 8.360 nan 0.000 0.477 167 M N 6.109 125.697 119.600 -0.019 0.000 2.253 167 M HA 0.284 4.782 4.480 0.030 0.000 0.314 167 M C -1.184 175.109 176.300 -0.012 0.000 1.019 167 M CA -0.870 54.428 55.300 -0.005 0.000 0.932 167 M CB 1.396 33.995 32.600 -0.002 0.000 1.606 167 M HN 0.341 nan 8.290 nan 0.000 0.430 168 V N 3.081 122.987 119.914 -0.012 0.000 2.713 168 V HA 0.824 4.962 4.120 0.030 0.000 0.307 168 V C -0.896 175.140 176.094 -0.096 0.000 1.052 168 V CA -0.582 61.693 62.300 -0.042 0.000 0.967 168 V CB 1.621 33.427 31.823 -0.028 0.000 1.019 168 V HN 0.665 nan 8.190 nan 0.000 0.459 169 V N 3.560 123.383 119.914 -0.151 0.000 2.419 169 V HA 0.509 4.647 4.120 0.030 0.000 0.287 169 V C -0.373 175.594 176.094 -0.211 0.000 1.017 169 V CA -0.239 61.884 62.300 -0.295 0.000 0.844 169 V CB 0.989 32.574 31.823 -0.397 0.000 1.011 169 V HN 1.048 nan 8.190 nan 0.000 0.429 170 E N 3.589 123.680 120.200 -0.181 0.000 2.182 170 E HA 0.436 4.805 4.350 0.030 0.000 0.258 170 E C -0.518 176.016 176.600 -0.109 0.000 0.879 170 E CA -0.657 55.673 56.400 -0.116 0.000 0.754 170 E CB 1.101 30.757 29.700 -0.072 0.000 1.162 170 E HN 0.750 nan 8.360 nan 0.000 0.419 171 N N 2.129 120.771 118.700 -0.097 0.000 2.746 171 N HA -0.193 4.565 4.740 0.030 0.000 0.250 171 N C 0.396 175.857 175.510 -0.081 0.000 1.055 171 N CA 0.943 53.950 53.050 -0.072 0.000 0.699 171 N CB -0.984 37.474 38.487 -0.049 0.000 0.919 171 N HN 0.935 nan 8.380 nan 0.000 0.548 172 G N -1.403 107.326 108.800 -0.119 0.000 2.249 172 G HA2 -0.308 3.670 3.960 0.030 0.000 0.273 172 G HA3 -0.308 3.670 3.960 0.030 0.000 0.273 172 G C 0.062 174.922 174.900 -0.067 0.000 1.036 172 G CA 0.384 45.431 45.100 -0.088 0.000 0.824 172 G HN 0.680 nan 8.290 nan 0.000 0.504 173 C N -0.315 118.880 119.300 -0.175 0.000 2.431 173 C HA 0.660 5.138 4.460 0.030 0.000 0.321 173 C C -0.363 174.551 174.990 -0.127 0.000 1.202 173 C CA -1.474 57.527 59.018 -0.030 0.000 1.398 173 C CB 0.719 28.448 27.740 -0.019 0.000 2.047 173 C HN 0.357 nan 8.230 nan 0.000 0.465 174 Y N 1.189 121.533 120.300 0.073 0.000 2.342 174 Y HA 0.607 5.176 4.550 0.031 0.000 0.334 174 Y C 0.770 176.762 175.900 0.152 0.000 1.067 174 Y CA -0.399 57.739 58.100 0.063 0.000 1.128 174 Y CB 1.391 39.841 38.460 -0.016 0.000 1.200 174 Y HN 0.537 nan 8.280 nan 0.000 0.464 175 T N 4.745 119.418 114.554 0.199 0.000 2.928 175 T HA 0.536 4.904 4.350 0.030 0.000 0.296 175 T C -0.566 174.204 174.700 0.118 0.000 1.000 175 T CA -0.711 61.497 62.100 0.181 0.000 0.989 175 T CB 0.757 69.684 68.868 0.098 0.000 1.005 175 T HN 0.378 nan 8.240 nan 0.000 0.442 176 L N 2.921 124.223 121.223 0.131 0.000 2.360 176 L HA 0.585 4.943 4.340 0.030 0.000 0.271 176 L C 0.300 177.207 176.870 0.062 0.000 1.057 176 L CA -0.822 54.057 54.840 0.065 0.000 0.803 176 L CB 1.081 43.164 42.059 0.040 0.000 1.207 176 L HN 0.389 nan 8.230 nan 0.000 0.445 177 K N 1.622 122.058 120.400 0.060 0.000 2.572 177 K HA 0.234 4.573 4.320 0.030 0.000 0.244 177 K C -1.123 175.547 176.600 0.117 0.000 0.965 177 K CA -0.782 55.550 56.287 0.075 0.000 0.943 177 K CB 1.575 34.103 32.500 0.047 0.000 1.154 177 K HN 0.442 nan 8.250 nan 0.000 0.447 178 D N 1.168 121.688 120.400 0.199 0.000 2.390 178 D HA -0.084 4.574 4.640 0.030 0.000 0.236 178 D C 1.185 177.589 176.300 0.174 0.000 1.189 178 D CA 0.478 54.681 54.000 0.338 0.000 0.887 178 D CB 1.018 42.207 40.800 0.648 0.000 1.198 178 D HN 0.572 nan 8.370 nan 0.000 0.444 179 T N -0.522 114.070 114.554 0.063 0.000 3.148 179 T HA 0.120 4.488 4.350 0.030 0.000 0.253 179 T C 0.490 174.972 174.700 -0.363 0.000 1.134 179 T CA 0.010 61.995 62.100 -0.192 0.000 1.051 179 T CB -0.577 68.094 68.868 -0.327 0.000 0.959 179 T HN 0.217 nan 8.240 nan 0.000 0.525 180 F N 2.485 122.464 119.950 0.050 0.000 2.469 180 F HA 0.352 4.898 4.527 0.031 0.000 0.332 180 F C 1.213 177.015 175.800 0.004 0.000 1.103 180 F CA -1.421 56.563 58.000 -0.028 0.000 0.979 180 F CB 1.624 40.532 39.000 -0.153 0.000 1.137 180 F HN 0.021 nan 8.300 nan 0.000 0.463 181 D N 0.352 120.852 120.400 0.167 0.000 2.347 181 D HA -0.133 4.525 4.640 0.030 0.000 0.215 181 D C 0.472 176.821 176.300 0.082 0.000 0.976 181 D CA 0.748 54.806 54.000 0.098 0.000 0.884 181 D CB -0.225 40.611 40.800 0.060 0.000 0.915 181 D HN 0.601 nan 8.370 nan 0.000 0.526 182 D N 0.196 120.642 120.400 0.077 0.000 2.623 182 D HA 0.040 4.699 4.640 0.030 0.000 0.252 182 D C -0.108 176.205 176.300 0.021 0.000 1.294 182 D CA -0.431 53.586 54.000 0.028 0.000 0.824 182 D CB -0.307 40.483 40.800 -0.018 0.000 1.070 182 D HN 0.093 nan 8.370 nan 0.000 0.487 183 T N -2.715 111.898 114.554 0.099 0.000 2.932 183 T HA 0.702 5.070 4.350 0.030 0.000 0.289 183 T C -0.147 174.701 174.700 0.246 0.000 1.039 183 T CA -0.590 61.617 62.100 0.177 0.000 1.024 183 T CB 1.900 70.920 68.868 0.253 0.000 1.090 183 T HN -0.050 nan 8.240 nan 0.000 0.496 184 T N 2.011 116.727 114.554 0.271 0.000 2.792 184 T HA 0.538 4.906 4.350 0.030 0.000 0.280 184 T C -0.152 174.596 174.700 0.081 0.000 0.990 184 T CA -0.600 61.586 62.100 0.144 0.000 0.960 184 T CB 0.676 69.590 68.868 0.076 0.000 0.939 184 T HN 0.619 nan 8.240 nan 0.000 0.439 185 I N 4.166 124.666 120.570 -0.116 0.000 2.306 185 I HA 0.191 4.379 4.170 0.030 0.000 0.288 185 I C 1.303 177.211 176.117 -0.349 0.000 1.036 185 I CA -0.517 60.532 61.300 -0.418 0.000 1.221 185 I CB 1.006 38.702 38.000 -0.507 0.000 1.385 185 I HN 0.627 nan 8.210 nan 0.000 0.472 186 L N 6.138 127.087 121.223 -0.456 0.000 2.042 186 L HA 0.015 4.373 4.340 0.030 0.000 0.210 186 L C 1.247 177.598 176.870 -0.864 0.000 1.076 186 L CA 0.994 55.418 54.840 -0.692 0.000 0.749 186 L CB -0.663 40.736 42.059 -1.100 0.000 0.893 186 L HN 0.844 nan 8.230 nan 0.000 0.432 187 G N -1.985 106.318 108.800 -0.827 0.000 2.339 187 G HA2 0.129 4.108 3.960 0.030 0.000 0.275 187 G HA3 0.129 4.108 3.960 0.030 0.000 0.275 187 G C -2.301 172.507 174.900 -0.152 0.000 1.323 187 G CA -0.443 44.328 45.100 -0.549 0.000 0.927 187 G HN 0.190 nan 8.290 nan 0.000 0.486 188 W N -1.127 120.274 121.300 0.168 0.000 2.882 188 W HA 0.873 5.552 4.660 0.030 0.000 0.345 188 W C -0.482 176.280 176.519 0.406 0.000 1.125 188 W CA -1.417 56.051 57.345 0.204 0.000 1.167 188 W CB 1.261 30.777 29.460 0.094 0.000 1.431 188 W HN 0.530 nan 8.180 nan 0.000 0.543 189 M N 2.721 122.614 119.600 0.489 0.000 2.393 189 M HA 0.576 5.074 4.480 0.030 0.000 0.316 189 M C -1.039 175.482 176.300 0.368 0.000 1.087 189 M CA -0.702 54.816 55.300 0.362 0.000 0.937 189 M CB 2.281 34.987 32.600 0.177 0.000 1.668 189 M HN 0.407 nan 8.290 nan 0.000 0.438 190 I N 1.694 122.503 120.570 0.397 0.000 2.545 190 I HA 0.255 4.444 4.170 0.030 0.000 0.292 190 I C -0.372 175.860 176.117 0.191 0.000 1.040 190 I CA -0.801 60.674 61.300 0.291 0.000 1.068 190 I CB 2.159 40.357 38.000 0.330 0.000 1.251 190 I HN 0.585 nan 8.210 nan 0.000 0.424 191 Q N 5.381 125.243 119.800 0.102 0.000 2.423 191 Q HA 0.294 4.652 4.340 0.030 0.000 0.235 191 Q C -0.943 175.089 176.000 0.054 0.000 1.100 191 Q CA 0.364 56.206 55.803 0.066 0.000 0.908 191 Q CB 0.841 29.600 28.738 0.036 0.000 1.312 191 Q HN 0.800 nan 8.270 nan 0.000 0.497 192 T N 1.599 116.195 114.554 0.071 0.000 2.821 192 T HA 0.310 4.679 4.350 0.030 0.000 0.306 192 T C 0.103 174.830 174.700 0.045 0.000 1.313 192 T CA -0.388 61.745 62.100 0.055 0.000 1.012 192 T CB 1.192 70.104 68.868 0.073 0.000 1.298 192 T HN 0.576 nan 8.240 nan 0.000 0.502 193 E N 0.378 120.594 120.200 0.027 0.000 2.400 193 E HA 0.082 4.450 4.350 0.030 0.000 0.195 193 E C -0.342 176.262 176.600 0.008 0.000 1.012 193 E CA -0.037 56.371 56.400 0.013 0.000 0.875 193 E CB 0.220 29.921 29.700 0.003 0.000 0.859 193 E HN 0.541 nan 8.360 nan 0.000 0.498 194 D N 1.536 121.946 120.400 0.017 0.000 2.349 194 D HA -0.037 4.621 4.640 0.030 0.000 0.266 194 D C 0.990 177.311 176.300 0.034 0.000 1.293 194 D CA 0.275 54.279 54.000 0.006 0.000 0.926 194 D CB 0.872 41.667 40.800 -0.008 0.000 1.090 194 D HN 0.022 nan 8.370 nan 0.000 0.502 195 T N 0.599 115.155 114.554 0.003 0.000 3.129 195 T HA -0.007 4.361 4.350 0.030 0.000 0.251 195 T C 0.826 175.541 174.700 0.025 0.000 1.117 195 T CA -0.410 61.690 62.100 0.000 0.000 1.034 195 T CB -0.146 68.701 68.868 -0.034 0.000 0.968 195 T HN 0.445 nan 8.240 nan 0.000 0.526 196 E N 0.940 121.126 120.200 -0.023 0.000 2.529 196 E HA -0.103 4.266 4.350 0.030 0.000 0.259 196 E C -0.409 176.223 176.600 0.055 0.000 0.966 196 E CA 0.309 56.650 56.400 -0.098 0.000 0.937 196 E CB -0.055 29.435 29.700 -0.351 0.000 0.923 196 E HN 0.677 nan 8.360 nan 0.000 0.468 197 Y N 0.007 120.399 120.300 0.153 0.000 4.766 197 Y HA -0.357 4.210 4.550 0.030 0.000 0.289 197 Y C 0.872 176.910 175.900 0.231 0.000 0.965 197 Y CA 0.225 58.454 58.100 0.214 0.000 1.738 197 Y CB -1.870 36.754 38.460 0.273 0.000 1.062 197 Y HN 0.608 nan 8.280 nan 0.000 0.440 198 S N 1.520 117.348 115.700 0.213 0.000 2.614 198 S HA 0.597 5.086 4.470 0.030 0.000 0.265 198 S C -0.158 174.323 174.600 -0.198 0.000 1.303 198 S CA -0.908 57.142 58.200 -0.250 0.000 1.000 198 S CB 1.564 64.486 63.200 -0.464 0.000 0.935 198 S HN 0.282 nan 8.310 nan 0.000 0.551 199 L N 2.589 123.614 121.223 -0.330 0.000 2.305 199 L HA 0.403 4.762 4.340 0.030 0.000 0.281 199 L C -1.740 174.998 176.870 -0.220 0.000 1.085 199 L CA -1.986 52.713 54.840 -0.236 0.000 0.813 199 L CB 0.489 42.374 42.059 -0.290 0.000 1.157 199 L HN 0.584 nan 8.230 nan 0.000 0.436 200 P HA -0.021 nan 4.420 nan 0.000 0.271 200 P C -0.917 176.295 177.300 -0.147 0.000 1.218 200 P CA -0.496 62.527 63.100 -0.129 0.000 0.780 200 P CB 0.749 32.396 31.700 -0.088 0.000 0.901 201 Q N 3.351 123.065 119.800 -0.143 0.000 2.300 201 Q HA 0.096 4.454 4.340 0.030 0.000 0.280 201 Q C -1.585 174.349 176.000 -0.110 0.000 1.033 201 Q CA -1.239 54.479 55.803 -0.141 0.000 0.903 201 Q CB 0.099 28.755 28.738 -0.137 0.000 1.195 201 Q HN 0.354 nan 8.270 nan 0.000 0.386 202 P HA -0.073 nan 4.420 nan 0.000 0.273 202 P C -1.429 175.845 177.300 -0.042 0.000 1.258 202 P CA 0.308 63.380 63.100 -0.046 0.000 0.802 202 P CB 0.356 32.050 31.700 -0.009 0.000 1.040 203 E N -0.480 119.711 120.200 -0.014 0.000 2.522 203 E HA 0.346 4.714 4.350 0.030 0.000 0.315 203 E C -0.645 175.967 176.600 0.019 0.000 0.917 203 E CA -0.763 55.631 56.400 -0.009 0.000 0.796 203 E CB 0.454 30.137 29.700 -0.028 0.000 1.323 203 E HN 0.368 nan 8.360 nan 0.000 0.397 204 I N 2.070 122.662 120.570 0.038 0.000 2.752 204 I HA 0.185 4.373 4.170 0.030 0.000 0.287 204 I C 0.316 176.457 176.117 0.040 0.000 1.188 204 I CA -0.035 61.292 61.300 0.046 0.000 1.427 204 I CB 0.583 38.616 38.000 0.056 0.000 1.365 204 I HN 0.819 nan 8.210 nan 0.000 0.585 205 A N 6.162 129.004 122.820 0.037 0.000 2.476 205 A HA 0.243 4.581 4.320 0.030 0.000 0.275 205 A C 1.450 179.056 177.584 0.036 0.000 1.133 205 A CA 0.369 52.426 52.037 0.033 0.000 0.797 205 A CB -0.182 18.835 19.000 0.028 0.000 1.081 205 A HN 1.123 nan 8.150 nan 0.000 0.510 206 G N 2.056 110.880 108.800 0.040 0.000 2.606 206 G HA2 -0.378 3.600 3.960 0.030 0.000 0.223 206 G HA3 -0.378 3.600 3.960 0.030 0.000 0.223 206 G C 1.276 176.198 174.900 0.036 0.000 1.106 206 G CA 1.515 46.643 45.100 0.045 0.000 0.745 206 G HN 0.851 nan 8.290 nan 0.000 0.597 207 E N 0.642 120.861 120.200 0.030 0.000 2.130 207 E HA -0.133 4.235 4.350 0.030 0.000 0.196 207 E C 2.351 178.967 176.600 0.027 0.000 0.998 207 E CA 1.016 57.431 56.400 0.026 0.000 0.806 207 E CB -0.528 29.186 29.700 0.023 0.000 0.738 207 E HN 0.498 nan 8.360 nan 0.000 0.459 208 L N -0.150 121.091 121.223 0.029 0.000 2.478 208 L HA 0.040 4.399 4.340 0.030 0.000 0.223 208 L C 1.683 178.568 176.870 0.024 0.000 1.140 208 L CA 0.278 55.136 54.840 0.029 0.000 0.842 208 L CB -0.087 41.993 42.059 0.035 0.000 0.953 208 L HN 0.134 nan 8.230 nan 0.000 0.452 209 L N -0.615 120.623 121.223 0.025 0.000 2.628 209 L HA 0.113 4.471 4.340 0.030 0.000 0.229 209 L C 0.375 177.256 176.870 0.017 0.000 1.137 209 L CA -0.130 54.721 54.840 0.018 0.000 0.909 209 L CB -0.200 41.876 42.059 0.028 0.000 1.137 209 L HN 0.059 nan 8.230 nan 0.000 0.470 210 K N 1.641 122.053 120.400 0.020 0.000 2.322 210 K HA 0.355 4.693 4.320 0.030 0.000 0.283 210 K C -0.160 176.451 176.600 0.018 0.000 1.042 210 K CA -0.100 56.199 56.287 0.020 0.000 0.958 210 K CB 1.653 34.166 32.500 0.022 0.000 0.984 210 K HN 0.064 nan 8.250 nan 0.000 0.473 211 I N 2.243 122.822 120.570 0.015 0.000 2.352 211 I HA 0.042 4.231 4.170 0.030 0.000 0.290 211 I C 0.114 176.273 176.117 0.070 0.000 1.036 211 I CA -0.020 61.293 61.300 0.021 0.000 1.336 211 I CB 0.902 38.878 38.000 -0.040 0.000 1.407 211 I HN 0.357 nan 8.210 nan 0.000 0.497 212 S N 4.042 119.796 115.700 0.091 0.000 2.501 212 S HA 0.581 5.069 4.470 0.030 0.000 0.301 212 S C 0.280 174.921 174.600 0.068 0.000 1.096 212 S CA -0.769 57.477 58.200 0.076 0.000 1.063 212 S CB 1.859 65.068 63.200 0.016 0.000 1.042 212 S HN 0.780 nan 8.310 nan 0.000 0.494 213 G N 0.831 109.640 108.800 0.015 0.000 2.503 213 G HA2 0.608 4.586 3.960 0.030 0.000 0.257 213 G HA3 0.608 4.586 3.960 0.030 0.000 0.257 213 G C -0.550 174.111 174.900 -0.398 0.000 1.214 213 G CA -0.330 44.638 45.100 -0.220 0.000 0.839 213 G HN 0.997 nan 8.290 nan 0.000 0.559 214 A N 1.142 123.488 122.820 -0.789 0.000 2.606 214 A HA 0.854 5.192 4.320 0.030 0.000 0.293 214 A C -0.538 176.639 177.584 -0.677 0.000 1.082 214 A CA -0.771 50.814 52.037 -0.753 0.000 0.685 214 A CB 1.801 20.072 19.000 -1.215 0.000 1.284 214 A HN 0.924 nan 8.150 nan 0.000 0.408 215 R N 0.970 121.344 120.500 -0.211 0.000 2.744 215 R HA 0.773 5.131 4.340 0.030 0.000 0.279 215 R C -1.526 174.948 176.300 0.290 0.000 0.977 215 R CA -0.639 55.515 56.100 0.090 0.000 0.906 215 R CB 1.331 31.694 30.300 0.105 0.000 1.197 215 R HN 0.723 nan 8.270 nan 0.000 0.463 216 L N 1.572 123.033 121.223 0.397 0.000 2.387 216 L HA 0.425 4.783 4.340 0.030 0.000 0.266 216 L C 0.199 177.200 176.870 0.217 0.000 1.059 216 L CA -0.699 54.332 54.840 0.318 0.000 0.801 216 L CB 1.509 43.753 42.059 0.307 0.000 1.223 216 L HN 0.667 nan 8.230 nan 0.000 0.456 217 E N 1.821 122.089 120.200 0.114 0.000 2.259 217 E HA 0.013 4.381 4.350 0.030 0.000 0.281 217 E C -0.561 176.048 176.600 0.016 0.000 1.037 217 E CA -0.569 55.855 56.400 0.040 0.000 0.854 217 E CB 0.783 30.481 29.700 -0.003 0.000 1.051 217 E HN 0.379 nan 8.360 nan 0.000 0.409 218 N N 4.545 123.173 118.700 -0.120 0.000 2.475 218 N HA -0.037 4.721 4.740 0.030 0.000 0.267 218 N C -0.430 174.964 175.510 -0.193 0.000 1.169 218 N CA 0.616 53.440 53.050 -0.375 0.000 0.947 218 N CB 0.755 38.870 38.487 -0.620 0.000 1.061 218 N HN 0.563 nan 8.380 nan 0.000 0.466 219 K N 2.263 122.590 120.400 -0.121 0.000 2.788 219 K HA 0.128 4.466 4.320 0.030 0.000 0.190 219 K C 0.188 176.761 176.600 -0.045 0.000 1.143 219 K CA -0.001 56.239 56.287 -0.078 0.000 1.099 219 K CB -0.336 32.125 32.500 -0.066 0.000 0.767 219 K HN 0.701 nan 8.250 nan 0.000 0.466 220 G N 2.599 111.388 108.800 -0.018 0.000 2.356 220 G HA2 -0.313 3.665 3.960 0.030 0.000 0.296 220 G HA3 -0.313 3.665 3.960 0.030 0.000 0.296 220 G C 0.352 175.274 174.900 0.036 0.000 1.022 220 G CA 0.897 46.052 45.100 0.091 0.000 0.961 220 G HN 0.517 nan 8.290 nan 0.000 0.510 221 Q N -1.160 118.585 119.800 -0.092 0.000 2.297 221 Q HA 0.191 4.549 4.340 0.030 0.000 0.204 221 Q C 1.724 177.340 176.000 -0.640 0.000 0.962 221 Q CA 1.304 56.829 55.803 -0.464 0.000 0.879 221 Q CB -0.004 28.254 28.738 -0.800 0.000 0.947 221 Q HN 0.749 nan 8.270 nan 0.000 0.462 222 F N -0.585 119.322 119.950 -0.072 0.000 2.639 222 F HA 0.190 4.735 4.527 0.031 0.000 0.302 222 F C 0.835 176.723 175.800 0.146 0.000 1.097 222 F CA -0.521 57.366 58.000 -0.189 0.000 1.294 222 F CB 0.532 39.177 39.000 -0.592 0.000 1.027 222 F HN -0.067 nan 8.300 nan 0.000 0.550 223 D N 0.808 121.366 120.400 0.264 0.000 2.228 223 D HA -0.085 4.573 4.640 0.030 0.000 0.203 223 D C 1.649 178.092 176.300 0.238 0.000 0.988 223 D CA 1.436 55.577 54.000 0.235 0.000 0.864 223 D CB 0.005 40.892 40.800 0.145 0.000 0.928 223 D HN 0.405 nan 8.370 nan 0.000 0.469 224 G N -1.029 107.937 108.800 0.276 0.000 3.377 224 G HA2 0.234 4.212 3.960 0.030 0.000 0.182 224 G HA3 0.234 4.212 3.960 0.030 0.000 0.182 224 G C -0.750 174.316 174.900 0.277 0.000 1.166 224 G CA -0.636 44.604 45.100 0.233 0.000 0.771 224 G HN -0.116 nan 8.290 nan 0.000 0.701 225 K N 2.515 123.011 120.400 0.160 0.000 2.142 225 K HA 0.118 4.456 4.320 0.030 0.000 0.250 225 K C 0.789 177.459 176.600 0.118 0.000 1.148 225 K CA -0.404 55.921 56.287 0.063 0.000 1.040 225 K CB 0.122 32.634 32.500 0.020 0.000 1.569 225 K HN 0.659 nan 8.250 nan 0.000 0.361 226 W N 3.080 124.449 121.300 0.115 0.000 3.003 226 W HA 0.117 4.794 4.660 0.028 0.000 0.257 226 W C -0.398 176.190 176.519 0.115 0.000 1.308 226 W CA -0.296 57.122 57.345 0.121 0.000 1.529 226 W CB -0.162 29.434 29.460 0.227 0.000 1.115 226 W HN 0.114 nan 8.180 nan 0.000 0.659 227 L N 3.040 124.010 121.223 -0.421 0.000 2.272 227 L HA 0.181 4.539 4.340 0.030 0.000 0.289 227 L C 0.338 177.113 176.870 -0.158 0.000 1.032 227 L CA -0.563 54.053 54.840 -0.374 0.000 0.810 227 L CB 0.902 42.566 42.059 -0.658 0.000 1.205 227 L HN -0.280 nan 8.230 nan 0.000 0.422 228 D N 3.337 123.703 120.400 -0.057 0.000 2.434 228 D HA -0.055 4.603 4.640 0.030 0.000 0.252 228 D C 0.713 176.990 176.300 -0.037 0.000 1.185 228 D CA 0.482 54.467 54.000 -0.025 0.000 0.886 228 D CB 1.043 41.845 40.800 0.005 0.000 1.148 228 D HN 0.549 nan 8.370 nan 0.000 0.483 229 E N 2.805 122.985 120.200 -0.033 0.000 2.447 229 E HA -0.071 4.297 4.350 0.030 0.000 0.195 229 E C 1.126 177.720 176.600 -0.011 0.000 1.028 229 E CA 0.101 56.484 56.400 -0.029 0.000 0.876 229 E CB 0.393 30.074 29.700 -0.032 0.000 0.885 229 E HN 0.228 nan 8.360 nan 0.000 0.500 230 K N 1.341 121.738 120.400 -0.005 0.000 2.288 230 K HA -0.058 4.281 4.320 0.030 0.000 0.201 230 K C 0.334 176.937 176.600 0.004 0.000 1.048 230 K CA 0.402 56.689 56.287 0.000 0.000 0.956 230 K CB -0.029 32.472 32.500 0.002 0.000 0.746 230 K HN -0.027 nan 8.250 nan 0.000 0.461 231 D N -0.220 120.183 120.400 0.006 0.000 2.317 231 D HA 0.059 4.717 4.640 0.030 0.000 0.252 231 D C -1.973 174.338 176.300 0.018 0.000 1.174 231 D CA -2.315 51.693 54.000 0.013 0.000 0.866 231 D CB 1.454 42.264 40.800 0.016 0.000 1.127 231 D HN -0.125 nan 8.370 nan 0.000 0.467 232 P HA -0.142 nan 4.420 nan 0.000 0.216 232 P C 1.386 178.716 177.300 0.049 0.000 1.150 232 P CA 0.417 63.535 63.100 0.030 0.000 0.837 232 P CB 0.203 31.919 31.700 0.028 0.000 0.786 233 L N -0.465 120.794 121.223 0.060 0.000 2.072 233 L HA -0.118 4.240 4.340 0.030 0.000 0.205 233 L C 2.187 179.118 176.870 0.101 0.000 1.079 233 L CA 1.871 56.770 54.840 0.099 0.000 0.752 233 L CB -1.397 40.732 42.059 0.116 0.000 0.906 233 L HN -0.061 nan 8.230 nan 0.000 0.436 234 Q N -0.762 119.073 119.800 0.058 0.000 2.046 234 Q HA -0.203 4.155 4.340 0.030 0.000 0.200 234 Q C 2.082 178.108 176.000 0.043 0.000 0.975 234 Q CA 1.475 57.299 55.803 0.034 0.000 0.836 234 Q CB -0.448 28.282 28.738 -0.013 0.000 0.896 234 Q HN 0.597 nan 8.270 nan 0.000 0.428 235 N N 0.777 119.488 118.700 0.017 0.000 2.137 235 N HA -0.198 4.560 4.740 0.030 0.000 0.190 235 N C 1.688 177.202 175.510 0.007 0.000 1.017 235 N CA 1.486 54.535 53.050 -0.002 0.000 0.859 235 N CB -0.008 38.479 38.487 -0.000 0.000 1.002 235 N HN 0.221 nan 8.380 nan 0.000 0.428 236 A N 0.074 122.924 122.820 0.050 0.000 1.902 236 A HA -0.196 4.143 4.320 0.030 0.000 0.217 236 A C 2.158 179.782 177.584 0.067 0.000 1.181 236 A CA 1.274 53.362 52.037 0.084 0.000 0.623 236 A CB -1.125 17.962 19.000 0.144 0.000 0.818 236 A HN 0.584 nan 8.150 nan 0.000 0.443 237 Y N 0.448 120.681 120.300 -0.112 0.000 2.163 237 Y HA -0.145 4.424 4.550 0.032 0.000 0.288 237 Y C 2.344 178.076 175.900 -0.279 0.000 1.136 237 Y CA 1.783 59.641 58.100 -0.404 0.000 1.147 237 Y CB -0.452 37.717 38.460 -0.485 0.000 0.987 237 Y HN 0.051 nan 8.280 nan 0.000 0.509 238 V N 0.829 120.596 119.914 -0.246 0.000 2.287 238 V HA -0.344 3.794 4.120 0.030 0.000 0.248 238 V C 2.300 178.258 176.094 -0.226 0.000 1.053 238 V CA 2.247 64.393 62.300 -0.257 0.000 1.027 238 V CB -0.720 31.023 31.823 -0.133 0.000 0.646 238 V HN 0.438 nan 8.190 nan 0.000 0.447 239 Q N -0.472 119.247 119.800 -0.134 0.000 2.443 239 Q HA -0.107 4.251 4.340 0.030 0.000 0.213 239 Q C 2.045 177.991 176.000 -0.090 0.000 0.982 239 Q CA 1.609 57.362 55.803 -0.084 0.000 0.894 239 Q CB -0.471 28.247 28.738 -0.033 0.000 0.947 239 Q HN 0.717 nan 8.270 nan 0.000 0.480 240 A N -0.299 122.431 122.820 -0.151 0.000 2.085 240 A HA 0.079 4.417 4.320 0.030 0.000 0.208 240 A C 1.284 178.752 177.584 -0.194 0.000 1.191 240 A CA 0.558 52.535 52.037 -0.100 0.000 0.799 240 A CB 0.296 19.343 19.000 0.077 0.000 0.877 240 A HN 0.337 nan 8.150 nan 0.000 0.473 241 N N -1.689 116.772 118.700 -0.398 0.000 2.168 241 N HA 0.404 5.162 4.740 0.030 0.000 0.216 241 N C 0.573 175.936 175.510 -0.245 0.000 1.259 241 N CA 0.729 53.569 53.050 -0.349 0.000 0.902 241 N CB 1.337 39.490 38.487 -0.556 0.000 1.079 241 N HN 0.642 nan 8.380 nan 0.000 0.507 242 G N 0.744 109.393 108.800 -0.252 0.000 2.796 242 G HA2 -0.237 3.741 3.960 0.030 0.000 0.571 242 G HA3 -0.237 3.741 3.960 0.030 0.000 0.571 242 G C -0.783 174.029 174.900 -0.147 0.000 1.370 242 G CA -0.755 44.256 45.100 -0.149 0.000 0.856 242 G HN 0.051 nan 8.290 nan 0.000 0.538 243 Q N -0.137 119.600 119.800 -0.104 0.000 3.034 243 Q HA 0.348 4.706 4.340 0.030 0.000 0.249 243 Q C 0.231 176.284 176.000 0.088 0.000 1.282 243 Q CA 0.545 56.254 55.803 -0.157 0.000 0.918 243 Q CB -0.166 28.488 28.738 -0.140 0.000 1.772 243 Q HN 0.650 nan 8.270 nan 0.000 0.498 244 V N 1.238 121.219 119.914 0.113 0.000 2.932 244 V HA 0.343 4.482 4.120 0.030 0.000 0.307 244 V C 0.635 176.888 176.094 0.265 0.000 1.147 244 V CA -0.513 61.924 62.300 0.228 0.000 0.951 244 V CB 2.226 34.116 31.823 0.112 0.000 1.031 244 V HN 0.372 nan 8.190 nan 0.000 0.426 245 I N 1.019 121.735 120.570 0.243 0.000 3.570 245 I HA 0.365 4.553 4.170 0.030 0.000 0.270 245 I C 0.640 176.798 176.117 0.070 0.000 1.162 245 I CA 0.135 61.531 61.300 0.159 0.000 1.413 245 I CB 0.249 38.279 38.000 0.050 0.000 1.437 245 I HN 0.740 nan 8.210 nan 0.000 0.457 246 N N -0.111 118.607 118.700 0.030 0.000 3.278 246 N HA 0.204 4.962 4.740 0.030 0.000 0.307 246 N C 0.304 175.834 175.510 0.033 0.000 1.551 246 N CA -0.611 52.451 53.050 0.021 0.000 0.794 246 N CB 0.821 39.305 38.487 -0.006 0.000 1.770 246 N HN -0.087 nan 8.380 nan 0.000 0.612 247 Q N -0.331 119.490 119.800 0.035 0.000 2.045 247 Q HA -0.142 4.217 4.340 0.030 0.000 0.206 247 Q C -0.505 175.527 176.000 0.054 0.000 0.991 247 Q CA 1.931 57.759 55.803 0.041 0.000 0.851 247 Q CB -0.411 28.344 28.738 0.029 0.000 0.911 247 Q HN 0.750 nan 8.270 nan 0.000 0.418 248 D N -0.454 119.977 120.400 0.052 0.000 2.473 248 D HA 0.134 4.792 4.640 0.030 0.000 0.253 248 D C -2.173 174.161 176.300 0.057 0.000 1.233 248 D CA -2.233 51.825 54.000 0.097 0.000 0.908 248 D CB 1.489 42.364 40.800 0.125 0.000 1.170 248 D HN -0.128 nan 8.370 nan 0.000 0.558 249 P HA -0.047 nan 4.420 nan 0.000 0.244 249 P C 0.156 177.312 177.300 -0.240 0.000 1.211 249 P CA 0.386 63.262 63.100 -0.375 0.000 0.760 249 P CB -0.143 30.979 31.700 -0.964 0.000 0.961 250 Y N -1.688 118.760 120.300 0.247 0.000 2.507 250 Y HA 0.179 4.748 4.550 0.032 0.000 0.254 250 Y C 1.177 177.290 175.900 0.356 0.000 1.171 250 Y CA -0.266 58.035 58.100 0.335 0.000 1.238 250 Y CB 0.067 38.669 38.460 0.237 0.000 1.148 250 Y HN 0.072 nan 8.280 nan 0.000 0.525 251 H N 0.643 119.873 119.070 0.267 0.000 2.646 251 H HA 0.237 4.811 4.556 0.030 0.000 0.328 251 H C -1.336 174.026 175.328 0.056 0.000 0.998 251 H CA -0.712 55.407 56.048 0.119 0.000 1.225 251 H CB 0.850 30.593 29.762 -0.031 0.000 1.457 251 H HN 0.184 nan 8.280 nan 0.000 0.505 252 Y N 3.405 123.391 120.300 -0.525 0.000 2.753 252 Y HA 0.594 5.161 4.550 0.028 0.000 0.324 252 Y C -1.657 173.829 175.900 -0.691 0.000 1.147 252 Y CA -1.461 56.369 58.100 -0.450 0.000 1.173 252 Y CB 0.791 39.177 38.460 -0.122 0.000 1.361 252 Y HN 0.343 nan 8.280 nan 0.000 0.545 253 Y N -0.285 119.912 120.300 -0.172 0.000 2.524 253 Y HA 0.633 5.203 4.550 0.032 0.000 0.344 253 Y C -0.232 175.614 175.900 -0.090 0.000 1.012 253 Y CA -0.775 57.205 58.100 -0.200 0.000 1.068 253 Y CB 2.640 41.042 38.460 -0.097 0.000 1.249 253 Y HN 0.778 nan 8.280 nan 0.000 0.468 254 T N 1.161 115.756 114.554 0.068 0.000 2.876 254 T HA 0.835 5.203 4.350 0.030 0.000 0.289 254 T C -0.834 173.884 174.700 0.030 0.000 1.014 254 T CA -0.748 61.382 62.100 0.050 0.000 0.986 254 T CB 1.297 70.190 68.868 0.042 0.000 1.021 254 T HN 0.631 nan 8.240 nan 0.000 0.458 255 I N -0.806 119.763 120.570 -0.001 0.000 2.892 255 I HA 0.757 4.945 4.170 0.030 0.000 0.306 255 I C 0.025 176.138 176.117 -0.007 0.000 1.078 255 I CA -1.265 60.029 61.300 -0.009 0.000 1.032 255 I CB 2.411 40.393 38.000 -0.030 0.000 1.229 255 I HN 0.797 nan 8.210 nan 0.000 0.435 256 T N -1.274 113.286 114.554 0.010 0.000 2.897 256 T HA 0.184 4.552 4.350 0.030 0.000 0.294 256 T C 0.782 175.506 174.700 0.040 0.000 1.004 256 T CA -0.272 61.847 62.100 0.032 0.000 1.106 256 T CB 1.656 70.547 68.868 0.039 0.000 0.949 256 T HN 0.915 nan 8.240 nan 0.000 0.520 257 E N 1.522 121.771 120.200 0.081 0.000 2.219 257 E HA -0.183 4.185 4.350 0.030 0.000 0.198 257 E C 1.781 178.442 176.600 0.103 0.000 0.998 257 E CA 1.343 57.821 56.400 0.130 0.000 0.818 257 E CB -0.205 29.607 29.700 0.187 0.000 0.741 257 E HN 0.778 nan 8.360 nan 0.000 0.477 258 S N 0.164 115.915 115.700 0.085 0.000 2.387 258 S HA -0.080 4.409 4.470 0.030 0.000 0.226 258 S C 2.003 176.632 174.600 0.048 0.000 1.026 258 S CA 0.827 59.077 58.200 0.083 0.000 0.972 258 S CB -0.026 63.219 63.200 0.075 0.000 0.814 258 S HN 0.461 nan 8.310 nan 0.000 0.477 259 A N 1.599 124.433 122.820 0.022 0.000 1.929 259 A HA -0.072 4.266 4.320 0.030 0.000 0.216 259 A C 2.045 179.599 177.584 -0.050 0.000 1.176 259 A CA 1.416 53.444 52.037 -0.014 0.000 0.628 259 A CB -0.564 18.424 19.000 -0.019 0.000 0.816 259 A HN 0.563 nan 8.150 nan 0.000 0.444 260 E N -0.161 120.020 120.200 -0.032 0.000 2.058 260 E HA -0.298 4.070 4.350 0.030 0.000 0.194 260 E C 2.125 178.644 176.600 -0.135 0.000 0.997 260 E CA 1.594 57.954 56.400 -0.067 0.000 0.801 260 E CB -0.211 29.494 29.700 0.009 0.000 0.746 260 E HN 0.736 nan 8.360 nan 0.000 0.450 261 Q N -0.036 119.729 119.800 -0.057 0.000 2.112 261 Q HA -0.240 4.118 4.340 0.030 0.000 0.206 261 Q C 2.096 178.038 176.000 -0.097 0.000 0.987 261 Q CA 1.763 57.527 55.803 -0.066 0.000 0.858 261 Q CB -0.070 28.698 28.738 0.050 0.000 0.905 261 Q HN 0.155 nan 8.270 nan 0.000 0.420 262 E N 0.490 120.651 120.200 -0.066 0.000 2.153 262 E HA -0.127 4.241 4.350 0.030 0.000 0.194 262 E C 1.673 178.156 176.600 -0.194 0.000 0.988 262 E CA 0.928 57.286 56.400 -0.070 0.000 0.811 262 E CB -0.107 29.573 29.700 -0.033 0.000 0.746 262 E HN 0.326 nan 8.360 nan 0.000 0.466 263 L N -0.311 120.756 121.223 -0.260 0.000 2.109 263 L HA -0.059 4.299 4.340 0.030 0.000 0.207 263 L C 2.344 179.021 176.870 -0.322 0.000 1.086 263 L CA 0.725 55.346 54.840 -0.366 0.000 0.760 263 L CB -0.287 41.611 42.059 -0.269 0.000 0.910 263 L HN 0.163 nan 8.230 nan 0.000 0.437 264 I N -0.345 119.972 120.570 -0.422 0.000 2.315 264 I HA -0.283 3.905 4.170 0.030 0.000 0.248 264 I C 2.687 178.709 176.117 -0.158 0.000 1.117 264 I CA 1.211 62.240 61.300 -0.451 0.000 1.404 264 I CB -0.275 37.396 38.000 -0.548 0.000 1.071 264 I HN 0.236 nan 8.210 nan 0.000 0.419 265 K N 1.106 121.429 120.400 -0.129 0.000 2.057 265 K HA -0.151 4.187 4.320 0.030 0.000 0.206 265 K C 2.216 178.818 176.600 0.003 0.000 1.050 265 K CA 1.508 57.788 56.287 -0.013 0.000 0.935 265 K CB -0.055 32.467 32.500 0.037 0.000 0.715 265 K HN 0.287 nan 8.250 nan 0.000 0.439 266 A N 0.448 123.144 122.820 -0.206 0.000 1.930 266 A HA -0.106 4.233 4.320 0.030 0.000 0.217 266 A C 2.168 179.657 177.584 -0.159 0.000 1.175 266 A CA 1.922 53.663 52.037 -0.494 0.000 0.627 266 A CB -0.787 17.516 19.000 -1.162 0.000 0.815 266 A HN 0.325 nan 8.150 nan 0.000 0.443 267 T N 0.589 115.114 114.554 -0.048 0.000 2.643 267 T HA -0.163 4.205 4.350 0.030 0.000 0.264 267 T C 1.777 176.548 174.700 0.118 0.000 1.045 267 T CA 1.830 63.995 62.100 0.109 0.000 1.155 267 T CB -0.556 68.437 68.868 0.208 0.000 0.863 267 T HN 0.693 nan 8.240 nan 0.000 0.420 268 N N 0.350 119.128 118.700 0.130 0.000 2.166 268 N HA -0.109 4.649 4.740 0.030 0.000 0.186 268 N C 2.051 177.699 175.510 0.229 0.000 1.019 268 N CA 0.943 54.100 53.050 0.179 0.000 0.856 268 N CB -0.021 38.568 38.487 0.169 0.000 0.993 268 N HN 0.507 nan 8.380 nan 0.000 0.426 269 E N 1.316 121.631 120.200 0.192 0.000 2.015 269 E HA -0.121 4.247 4.350 0.030 0.000 0.191 269 E C 2.021 178.619 176.600 -0.003 0.000 0.991 269 E CA 0.653 57.137 56.400 0.140 0.000 0.802 269 E CB 0.013 29.802 29.700 0.148 0.000 0.759 269 E HN 0.267 nan 8.360 nan 0.000 0.447 270 L N 0.246 121.471 121.223 0.003 0.000 2.081 270 L HA -0.249 4.109 4.340 0.030 0.000 0.212 270 L C 2.650 179.604 176.870 0.139 0.000 1.080 270 L CA 1.698 56.523 54.840 -0.025 0.000 0.754 270 L CB -0.548 41.528 42.059 0.028 0.000 0.893 270 L HN 0.351 nan 8.230 nan 0.000 0.433 271 H N 0.118 119.245 119.070 0.095 0.000 2.319 271 H HA -0.189 4.461 4.556 0.156 0.000 0.299 271 H C 2.152 177.651 175.328 0.285 0.000 1.092 271 H CA 1.881 58.057 56.048 0.214 0.000 1.302 271 H CB -0.031 29.850 29.762 0.197 0.000 1.373 271 H HN 0.179 nan 8.280 nan 0.000 0.497 272 L N -0.607 120.776 121.223 0.267 0.000 2.093 272 L HA -0.169 4.189 4.340 0.030 0.000 0.208 272 L C 2.593 179.533 176.870 0.116 0.000 1.085 272 L CA 1.299 56.275 54.840 0.226 0.000 0.755 272 L CB -0.358 41.877 42.059 0.292 0.000 0.904 272 L HN 0.385 nan 8.230 nan 0.000 0.435 273 M N -1.832 117.714 119.600 -0.090 0.000 2.159 273 M HA -0.212 4.286 4.480 0.030 0.000 0.263 273 M C 2.259 178.515 176.300 -0.074 0.000 1.063 273 M CA 1.910 57.019 55.300 -0.318 0.000 1.110 273 M CB -0.480 31.569 32.600 -0.918 0.000 1.374 273 M HN 0.104 nan 8.290 nan 0.000 0.411 274 Y N 0.684 120.972 120.300 -0.021 0.000 2.163 274 Y HA -0.164 4.408 4.550 0.037 0.000 0.288 274 Y C 2.180 178.123 175.900 0.072 0.000 1.136 274 Y CA 1.333 59.472 58.100 0.066 0.000 1.147 274 Y CB -0.216 38.332 38.460 0.146 0.000 0.987 274 Y HN 0.111 nan 8.280 nan 0.000 0.509 275 L N -1.060 120.284 121.223 0.202 0.000 2.093 275 L HA -0.262 4.096 4.340 0.030 0.000 0.208 275 L C 2.537 179.524 176.870 0.195 0.000 1.085 275 L CA 1.426 56.378 54.840 0.188 0.000 0.755 275 L CB -0.713 41.475 42.059 0.215 0.000 0.904 275 L HN 0.406 nan 8.230 nan 0.000 0.435 276 H N 0.666 119.826 119.070 0.151 0.000 2.357 276 H HA -0.116 4.455 4.556 0.026 0.000 0.301 276 H C 2.084 177.474 175.328 0.104 0.000 1.082 276 H CA 1.647 57.795 56.048 0.166 0.000 1.342 276 H CB 0.350 30.253 29.762 0.235 0.000 1.389 276 H HN 0.298 nan 8.280 nan 0.000 0.511 277 A N 0.081 123.033 122.820 0.221 0.000 1.930 277 A HA -0.113 4.225 4.320 0.030 0.000 0.217 277 A C 2.658 180.204 177.584 -0.064 0.000 1.175 277 A CA 1.767 53.879 52.037 0.125 0.000 0.627 277 A CB -0.983 18.103 19.000 0.144 0.000 0.815 277 A HN 0.502 nan 8.150 nan 0.000 0.443 278 T N -0.239 114.233 114.554 -0.136 0.000 2.684 278 T HA -0.176 4.192 4.350 0.030 0.000 0.267 278 T C 1.659 175.967 174.700 -0.653 0.000 1.036 278 T CA 1.885 63.734 62.100 -0.418 0.000 1.148 278 T CB -0.424 68.096 68.868 -0.580 0.000 0.863 278 T HN 0.699 nan 8.240 nan 0.000 0.436 279 D N 0.429 120.537 120.400 -0.488 0.000 2.092 279 D HA -0.130 4.528 4.640 0.030 0.000 0.193 279 D C 2.136 178.289 176.300 -0.243 0.000 0.994 279 D CA 1.063 54.917 54.000 -0.244 0.000 0.828 279 D CB 0.095 40.915 40.800 0.034 0.000 0.963 279 D HN 0.042 nan 8.370 nan 0.000 0.450 280 K N 0.107 120.357 120.400 -0.250 0.000 2.097 280 K HA -0.050 4.288 4.320 0.030 0.000 0.206 280 K C 2.211 178.705 176.600 -0.177 0.000 1.049 280 K CA 0.394 56.570 56.287 -0.184 0.000 0.933 280 K CB -0.866 31.549 32.500 -0.141 0.000 0.717 280 K HN 0.195 nan 8.250 nan 0.000 0.442 281 V N 1.590 121.370 119.914 -0.223 0.000 2.307 281 V HA -0.162 3.976 4.120 0.030 0.000 0.245 281 V C 2.301 178.183 176.094 -0.353 0.000 1.045 281 V CA 1.307 63.448 62.300 -0.264 0.000 1.024 281 V CB -0.430 31.182 31.823 -0.351 0.000 0.651 281 V HN 0.187 nan 8.190 nan 0.000 0.449 282 L N -0.424 120.551 121.223 -0.413 0.000 2.353 282 L HA -0.137 4.221 4.340 0.030 0.000 0.220 282 L C 2.150 178.882 176.870 -0.230 0.000 1.133 282 L CA 1.352 55.964 54.840 -0.381 0.000 0.798 282 L CB -0.460 41.316 42.059 -0.471 0.000 0.922 282 L HN 0.356 nan 8.230 nan 0.000 0.445 283 K N -1.130 119.163 120.400 -0.179 0.000 2.367 283 K HA 0.049 4.388 4.320 0.030 0.000 0.194 283 K C -0.069 176.470 176.600 -0.101 0.000 1.027 283 K CA 0.023 56.247 56.287 -0.104 0.000 1.075 283 K CB 0.378 32.837 32.500 -0.069 0.000 0.845 283 K HN -0.007 nan 8.250 nan 0.000 0.529 284 D N 0.756 121.073 120.400 -0.138 0.000 2.473 284 D HA 0.076 4.734 4.640 0.030 0.000 0.253 284 D C 0.013 176.220 176.300 -0.154 0.000 1.233 284 D CA -0.332 53.602 54.000 -0.110 0.000 0.908 284 D CB 1.174 41.925 40.800 -0.081 0.000 1.170 284 D HN -0.176 nan 8.370 nan 0.000 0.558 285 D N 2.304 122.631 120.400 -0.123 0.000 2.149 285 D HA -0.193 4.465 4.640 0.030 0.000 0.194 285 D C 1.322 177.553 176.300 -0.116 0.000 1.001 285 D CA 0.908 54.822 54.000 -0.143 0.000 0.849 285 D CB 0.282 41.104 40.800 0.037 0.000 0.939 285 D HN 0.464 nan 8.370 nan 0.000 0.449 286 N N 0.277 118.945 118.700 -0.052 0.000 2.137 286 N HA -0.127 4.631 4.740 0.030 0.000 0.190 286 N C 2.074 177.555 175.510 -0.048 0.000 1.017 286 N CA 0.576 53.608 53.050 -0.030 0.000 0.859 286 N CB -0.326 38.150 38.487 -0.019 0.000 1.002 286 N HN 0.323 nan 8.380 nan 0.000 0.428 287 L N -0.050 121.133 121.223 -0.067 0.000 2.068 287 L HA -0.041 4.317 4.340 0.030 0.000 0.204 287 L C 2.211 179.067 176.870 -0.024 0.000 1.076 287 L CA 0.370 55.201 54.840 -0.015 0.000 0.753 287 L CB -0.497 41.556 42.059 -0.011 0.000 0.910 287 L HN 0.089 nan 8.230 nan 0.000 0.439 288 L N 0.851 121.910 121.223 -0.273 0.000 2.129 288 L HA -0.180 4.178 4.340 0.030 0.000 0.212 288 L C 2.534 179.191 176.870 -0.354 0.000 1.087 288 L CA 1.908 56.416 54.840 -0.552 0.000 0.757 288 L CB -0.754 40.709 42.059 -0.992 0.000 0.896 288 L HN 0.178 nan 8.230 nan 0.000 0.434 289 A N -1.074 121.641 122.820 -0.175 0.000 2.067 289 A HA -0.077 4.261 4.320 0.030 0.000 0.219 289 A C 2.065 179.735 177.584 0.143 0.000 1.158 289 A CA 1.375 53.484 52.037 0.120 0.000 0.661 289 A CB -0.721 18.376 19.000 0.162 0.000 0.801 289 A HN 0.499 nan 8.150 nan 0.000 0.452 290 L N -1.925 119.366 121.223 0.113 0.000 2.610 290 L HA 0.067 4.426 4.340 0.030 0.000 0.232 290 L C 1.221 178.128 176.870 0.062 0.000 1.149 290 L CA 0.226 55.061 54.840 -0.008 0.000 0.872 290 L CB -0.226 41.691 42.059 -0.237 0.000 0.992 290 L HN 0.305 nan 8.230 nan 0.000 0.447 291 F N -0.792 119.167 119.950 0.016 0.000 2.776 291 F HA 0.093 4.635 4.527 0.025 0.000 0.300 291 F C 0.512 176.375 175.800 0.105 0.000 1.116 291 F CA -0.589 57.451 58.000 0.066 0.000 1.375 291 F CB -0.270 38.750 39.000 0.032 0.000 1.109 291 F HN -0.007 nan 8.300 nan 0.000 0.585 292 D N 1.391 121.951 120.400 0.266 0.000 2.737 292 D HA -0.203 4.455 4.640 0.030 0.000 0.238 292 D C -0.299 176.144 176.300 0.237 0.000 1.157 292 D CA 0.645 54.774 54.000 0.215 0.000 0.694 292 D CB -1.134 39.758 40.800 0.153 0.000 1.021 292 D HN 0.201 nan 8.370 nan 0.000 0.420 293 I N 0.295 121.036 120.570 0.285 0.000 2.474 293 I HA 0.299 4.488 4.170 0.030 0.000 0.294 293 I C -1.958 174.254 176.117 0.160 0.000 1.005 293 I CA -2.226 59.183 61.300 0.181 0.000 1.113 293 I CB 1.877 39.981 38.000 0.174 0.000 1.289 293 I HN -0.249 nan 8.210 nan 0.000 0.436 294 P HA 0.055 nan 4.420 nan 0.000 0.263 294 P C 0.160 177.260 177.300 -0.333 0.000 1.195 294 P CA -0.045 62.978 63.100 -0.129 0.000 0.762 294 P CB 0.437 32.071 31.700 -0.109 0.000 0.799 295 K N 2.629 122.654 120.400 -0.624 0.000 2.127 295 K HA -0.211 4.127 4.320 0.030 0.000 0.208 295 K C 1.692 177.862 176.600 -0.716 0.000 1.047 295 K CA 1.264 56.768 56.287 -1.306 0.000 0.927 295 K CB -0.570 31.295 32.500 -1.059 0.000 0.716 295 K HN 0.367 nan 8.250 nan 0.000 0.450 296 I N 1.512 121.878 120.570 -0.339 0.000 2.502 296 I HA -0.246 3.942 4.170 0.030 0.000 0.258 296 I C 1.654 177.650 176.117 -0.200 0.000 1.172 296 I CA 1.372 62.537 61.300 -0.225 0.000 1.430 296 I CB -0.022 37.819 38.000 -0.265 0.000 1.086 296 I HN 0.130 nan 8.210 nan 0.000 0.440 297 L N -1.783 119.326 121.223 -0.191 0.000 2.375 297 L HA -0.092 4.266 4.340 0.030 0.000 0.215 297 L C 2.069 178.995 176.870 0.094 0.000 1.108 297 L CA 0.065 54.849 54.840 -0.092 0.000 0.830 297 L CB -0.554 41.371 42.059 -0.222 0.000 0.959 297 L HN 0.307 nan 8.230 nan 0.000 0.457 298 W N 0.917 122.129 121.300 -0.146 0.000 2.290 298 W HA -0.175 4.505 4.660 0.033 0.000 0.323 298 W C -0.266 176.200 176.519 -0.089 0.000 1.260 298 W CA 1.069 58.342 57.345 -0.120 0.000 1.266 298 W CB -2.511 26.891 29.460 -0.095 0.000 1.149 298 W HN 0.142 nan 8.180 nan 0.000 0.482 299 P HA -0.143 nan 4.420 nan 0.000 0.219 299 P C 1.701 179.032 177.300 0.052 0.000 1.146 299 P CA 1.902 65.053 63.100 0.085 0.000 0.808 299 P CB -0.033 31.699 31.700 0.052 0.000 0.779 300 R N -1.075 119.446 120.500 0.035 0.000 2.153 300 R HA 0.102 4.460 4.340 0.030 0.000 0.218 300 R C 2.254 178.562 176.300 0.012 0.000 1.072 300 R CA 0.681 56.789 56.100 0.013 0.000 0.990 300 R CB -1.289 29.002 30.300 -0.015 0.000 0.889 300 R HN 0.321 nan 8.270 nan 0.000 0.452 301 L N 0.268 121.494 121.223 0.006 0.000 2.005 301 L HA -0.148 4.210 4.340 0.030 0.000 0.207 301 L C 2.624 179.523 176.870 0.049 0.000 1.072 301 L CA 1.458 56.290 54.840 -0.013 0.000 0.744 301 L CB -0.304 41.701 42.059 -0.090 0.000 0.895 301 L HN 0.097 nan 8.230 nan 0.000 0.433 302 R N -0.220 120.299 120.500 0.032 0.000 2.083 302 R HA -0.190 4.168 4.340 0.030 0.000 0.237 302 R C 2.263 178.638 176.300 0.124 0.000 1.137 302 R CA 1.401 57.547 56.100 0.078 0.000 0.951 302 R CB -0.478 29.848 30.300 0.042 0.000 0.851 302 R HN 0.275 nan 8.270 nan 0.000 0.434 303 L N -0.240 121.032 121.223 0.082 0.000 2.012 303 L HA -0.231 4.127 4.340 0.030 0.000 0.210 303 L C 2.634 179.559 176.870 0.091 0.000 1.073 303 L CA 1.400 56.280 54.840 0.066 0.000 0.748 303 L CB -0.539 41.550 42.059 0.050 0.000 0.891 303 L HN 0.257 nan 8.230 nan 0.000 0.431 304 S N -0.680 115.101 115.700 0.136 0.000 2.370 304 S HA -0.274 4.214 4.470 0.030 0.000 0.226 304 S C 1.801 176.591 174.600 0.316 0.000 1.033 304 S CA 1.451 59.786 58.200 0.225 0.000 1.011 304 S CB -0.435 62.903 63.200 0.230 0.000 0.852 304 S HN 0.559 nan 8.310 nan 0.000 0.457 305 W N 1.547 122.836 121.300 -0.019 0.000 2.329 305 W HA -0.248 4.421 4.660 0.015 0.000 0.324 305 W C 2.471 178.792 176.519 -0.331 0.000 1.222 305 W CA 1.667 58.821 57.345 -0.318 0.000 1.270 305 W CB -0.705 28.599 29.460 -0.260 0.000 1.167 305 W HN 0.457 nan 8.180 nan 0.000 0.467 306 Q N 0.339 120.020 119.800 -0.198 0.000 2.135 306 Q HA -0.239 4.119 4.340 0.030 0.000 0.204 306 Q C 2.325 178.160 176.000 -0.275 0.000 0.981 306 Q CA 1.836 57.438 55.803 -0.335 0.000 0.856 306 Q CB -0.199 28.450 28.738 -0.149 0.000 0.902 306 Q HN 0.330 nan 8.270 nan 0.000 0.425 307 R N -0.844 119.568 120.500 -0.147 0.000 2.090 307 R HA 0.110 4.468 4.340 0.030 0.000 0.219 307 R C 1.342 177.519 176.300 -0.205 0.000 1.100 307 R CA 0.507 56.542 56.100 -0.110 0.000 0.991 307 R CB 0.325 30.619 30.300 -0.010 0.000 0.893 307 R HN 0.062 nan 8.270 nan 0.000 0.443 308 R N 0.779 121.179 120.500 -0.166 0.000 2.552 308 R HA 0.120 4.478 4.340 0.030 0.000 0.314 308 R C 1.285 177.509 176.300 -0.126 0.000 1.041 308 R CA -0.100 55.833 56.100 -0.278 0.000 1.076 308 R CB 0.301 30.701 30.300 0.168 0.000 1.290 308 R HN 0.009 nan 8.270 nan 0.000 0.563 309 R N 1.030 121.262 120.500 -0.448 0.000 2.133 309 R HA -0.155 4.203 4.340 0.030 0.000 0.247 309 R C 0.841 176.869 176.300 -0.453 0.000 1.151 309 R CA 1.763 57.391 56.100 -0.787 0.000 0.971 309 R CB -0.306 29.307 30.300 -1.145 0.000 0.866 309 R HN 0.300 nan 8.270 nan 0.000 0.447 310 H N -1.288 117.723 119.070 -0.099 0.000 2.505 310 H HA 0.161 4.731 4.556 0.023 0.000 0.289 310 H C 0.462 176.033 175.328 0.405 0.000 1.052 310 H CA 0.227 56.366 56.048 0.152 0.000 1.156 310 H CB 0.177 30.027 29.762 0.147 0.000 1.507 310 H HN 0.566 nan 8.280 nan 0.000 0.548 311 H N -0.517 118.789 119.070 0.393 0.000 2.592 311 H HA 0.101 4.672 4.556 0.026 0.000 0.265 311 H C 1.175 176.696 175.328 0.323 0.000 0.955 311 H CA -0.378 55.873 56.048 0.337 0.000 1.175 311 H CB 0.972 30.861 29.762 0.212 0.000 1.433 311 H HN 0.142 nan 8.280 nan 0.000 0.537 312 M N 1.669 121.563 119.600 0.490 0.000 2.327 312 M HA -0.066 4.432 4.480 0.030 0.000 0.353 312 M C -0.140 176.280 176.300 0.200 0.000 1.539 312 M CA 0.196 55.676 55.300 0.299 0.000 1.039 312 M CB 0.478 33.280 32.600 0.336 0.000 1.967 312 M HN 0.112 nan 8.290 nan 0.000 0.459 313 I N 3.227 123.837 120.570 0.066 0.000 2.556 313 I HA 0.102 4.290 4.170 0.030 0.000 0.251 313 I C 1.061 177.129 176.117 -0.080 0.000 1.105 313 I CA 1.046 62.245 61.300 -0.169 0.000 1.436 313 I CB 0.311 37.915 38.000 -0.660 0.000 1.139 313 I HN 0.813 nan 8.210 nan 0.000 0.438 314 T N -0.868 113.709 114.554 0.038 0.000 2.982 314 T HA 0.708 5.077 4.350 0.030 0.000 0.321 314 T C -0.722 174.123 174.700 0.242 0.000 1.229 314 T CA -0.341 61.851 62.100 0.153 0.000 1.044 314 T CB 1.181 70.157 68.868 0.179 0.000 1.184 314 T HN 0.239 nan 8.240 nan 0.000 0.477 315 G N 2.019 111.010 108.800 0.318 0.000 2.694 315 G HA2 0.755 4.733 3.960 0.030 0.000 0.290 315 G HA3 0.755 4.733 3.960 0.030 0.000 0.290 315 G C -1.754 173.392 174.900 0.410 0.000 1.386 315 G CA -0.711 44.580 45.100 0.319 0.000 0.872 315 G HN 0.734 nan 8.290 nan 0.000 0.475 316 R N 0.262 120.955 120.500 0.323 0.000 2.574 316 R HA 0.522 4.880 4.340 0.030 0.000 0.288 316 R C -0.744 175.582 176.300 0.043 0.000 1.004 316 R CA -0.659 55.496 56.100 0.091 0.000 0.895 316 R CB 1.722 31.981 30.300 -0.067 0.000 1.191 316 R HN 0.519 nan 8.270 nan 0.000 0.444 317 M N 2.353 121.861 119.600 -0.153 0.000 2.423 317 M HA 0.315 4.813 4.480 0.030 0.000 0.335 317 M C -0.973 175.063 176.300 -0.441 0.000 1.177 317 M CA -0.731 54.343 55.300 -0.377 0.000 1.038 317 M CB 1.768 33.968 32.600 -0.667 0.000 1.641 317 M HN 0.341 nan 8.290 nan 0.000 0.455 318 D N 2.527 122.641 120.400 -0.475 0.000 2.303 318 D HA 0.529 5.187 4.640 0.030 0.000 0.236 318 D C -1.323 174.674 176.300 -0.505 0.000 1.068 318 D CA 0.237 54.071 54.000 -0.277 0.000 0.830 318 D CB 0.852 41.656 40.800 0.005 0.000 1.109 318 D HN 0.248 nan 8.370 nan 0.000 0.496 319 F N 0.581 120.426 119.950 -0.175 0.000 2.563 319 F HA 0.331 4.847 4.527 -0.018 0.000 0.316 319 F C 0.157 175.750 175.800 -0.346 0.000 1.076 319 F CA -1.183 56.618 58.000 -0.331 0.000 0.921 319 F CB 1.641 40.502 39.000 -0.232 0.000 1.209 319 F HN 0.205 nan 8.300 nan 0.000 0.462 320 C N 6.002 125.149 119.300 -0.255 0.000 2.255 320 C HA 0.727 5.205 4.460 0.030 0.000 0.326 320 C C -0.424 174.615 174.990 0.082 0.000 1.258 320 C CA -0.602 58.384 59.018 -0.054 0.000 1.676 320 C CB -0.638 27.125 27.740 0.038 0.000 2.314 320 C HN 0.870 nan 8.230 nan 0.000 0.509 321 M N 7.597 127.249 119.600 0.088 0.000 2.142 321 M HA 0.521 5.020 4.480 0.030 0.000 0.299 321 M C -1.553 174.793 176.300 0.076 0.000 0.960 321 M CA 0.088 55.425 55.300 0.062 0.000 0.920 321 M CB 1.069 33.652 32.600 -0.028 0.000 1.541 321 M HN 0.957 nan 8.290 nan 0.000 0.429 322 D N 2.085 122.550 120.400 0.108 0.000 2.713 322 D HA 0.094 4.752 4.640 0.030 0.000 0.306 322 D C 0.202 176.554 176.300 0.086 0.000 1.299 322 D CA -0.466 53.581 54.000 0.078 0.000 0.823 322 D CB 0.221 41.062 40.800 0.069 0.000 1.353 322 D HN 0.686 nan 8.370 nan 0.000 0.447 323 E N -0.016 120.217 120.200 0.056 0.000 2.301 323 E HA -0.301 4.067 4.350 0.030 0.000 0.202 323 E C 1.172 177.818 176.600 0.078 0.000 1.017 323 E CA 1.092 57.524 56.400 0.053 0.000 0.831 323 E CB -0.434 29.284 29.700 0.030 0.000 0.742 323 E HN 0.370 nan 8.360 nan 0.000 0.491 324 R N 0.965 121.524 120.500 0.099 0.000 2.316 324 R HA 0.137 4.495 4.340 0.030 0.000 0.202 324 R C 0.990 177.477 176.300 0.311 0.000 1.029 324 R CA 0.460 56.651 56.100 0.151 0.000 1.018 324 R CB 0.206 30.529 30.300 0.039 0.000 0.888 324 R HN 0.351 nan 8.270 nan 0.000 0.471 325 G N 0.465 109.418 108.800 0.255 0.000 2.306 325 G HA2 -0.069 3.909 3.960 0.030 0.000 0.262 325 G HA3 -0.069 3.909 3.960 0.030 0.000 0.262 325 G C -2.090 172.924 174.900 0.190 0.000 1.263 325 G CA -0.853 44.379 45.100 0.220 0.000 1.088 325 G HN 0.046 nan 8.290 nan 0.000 0.489 326 L N 0.345 121.646 121.223 0.131 0.000 2.376 326 L HA 0.885 5.243 4.340 0.030 0.000 0.275 326 L C -0.724 176.148 176.870 0.003 0.000 0.987 326 L CA -0.924 53.941 54.840 0.042 0.000 0.828 326 L CB 1.571 43.607 42.059 -0.038 0.000 1.249 326 L HN 0.620 nan 8.230 nan 0.000 0.409 327 K N 3.565 123.891 120.400 -0.124 0.000 2.385 327 K HA 0.630 4.969 4.320 0.030 0.000 0.248 327 K C -1.488 175.029 176.600 -0.138 0.000 0.955 327 K CA -0.721 55.398 56.287 -0.279 0.000 0.816 327 K CB 2.687 34.666 32.500 -0.869 0.000 1.250 327 K HN 0.367 nan 8.250 nan 0.000 0.434 328 V N 3.408 123.218 119.914 -0.173 0.000 2.459 328 V HA 0.259 4.398 4.120 0.030 0.000 0.295 328 V C -0.167 175.778 176.094 -0.248 0.000 1.029 328 V CA -0.199 61.905 62.300 -0.327 0.000 0.874 328 V CB 0.937 32.605 31.823 -0.258 0.000 0.985 328 V HN 0.653 nan 8.190 nan 0.000 0.438 329 Y N 4.084 124.259 120.300 -0.208 0.000 2.230 329 Y HA 0.278 4.846 4.550 0.031 0.000 0.294 329 Y C 1.182 177.017 175.900 -0.108 0.000 1.120 329 Y CA 0.677 58.698 58.100 -0.132 0.000 1.129 329 Y CB 0.173 38.568 38.460 -0.109 0.000 1.040 329 Y HN 0.778 nan 8.280 nan 0.000 0.519 330 E N -2.490 117.734 120.200 0.040 0.000 2.454 330 E HA 0.291 4.659 4.350 0.030 0.000 0.279 330 E C -2.042 174.542 176.600 -0.026 0.000 1.029 330 E CA -1.050 55.368 56.400 0.031 0.000 0.831 330 E CB 1.694 31.399 29.700 0.009 0.000 1.405 330 E HN -0.110 nan 8.360 nan 0.000 0.463 331 Y N 1.725 121.898 120.300 -0.211 0.000 2.332 331 Y HA 0.397 4.966 4.550 0.032 0.000 0.326 331 Y C -1.247 174.521 175.900 -0.220 0.000 0.978 331 Y CA -2.080 55.808 58.100 -0.352 0.000 1.205 331 Y CB 1.313 39.267 38.460 -0.843 0.000 1.131 331 Y HN 0.555 nan 8.280 nan 0.000 0.462 332 N N 5.528 124.264 118.700 0.059 0.000 2.807 332 N HA 0.230 4.988 4.740 0.030 0.000 0.259 332 N C 0.687 176.069 175.510 -0.213 0.000 1.149 332 N CA 0.364 53.370 53.050 -0.073 0.000 1.042 332 N CB 1.330 39.813 38.487 -0.006 0.000 1.367 332 N HN 0.757 nan 8.380 nan 0.000 0.516 333 A N 0.984 123.524 122.820 -0.466 0.000 1.903 333 A HA -0.100 4.239 4.320 0.030 0.000 0.213 333 A C 1.810 179.251 177.584 -0.239 0.000 1.185 333 A CA 0.754 52.455 52.037 -0.559 0.000 0.628 333 A CB -0.063 18.503 19.000 -0.724 0.000 0.830 333 A HN 0.403 nan 8.150 nan 0.000 0.446 334 D N 0.731 121.037 120.400 -0.156 0.000 2.174 334 D HA -0.087 4.572 4.640 0.030 0.000 0.215 334 D C 0.839 177.125 176.300 -0.023 0.000 1.021 334 D CA 1.914 55.888 54.000 -0.044 0.000 0.910 334 D CB -0.153 40.644 40.800 -0.005 0.000 1.142 334 D HN 0.446 nan 8.370 nan 0.000 0.473 335 S N -1.135 114.549 115.700 -0.027 0.000 2.526 335 S HA 0.768 5.256 4.470 0.030 0.000 0.293 335 S C -0.822 173.810 174.600 0.054 0.000 1.092 335 S CA -0.548 57.659 58.200 0.012 0.000 0.980 335 S CB 2.509 65.668 63.200 -0.069 0.000 1.048 335 S HN 0.466 nan 8.310 nan 0.000 0.483 336 A N 1.873 124.798 122.820 0.175 0.000 2.488 336 A HA 0.854 5.192 4.320 0.030 0.000 0.298 336 A C -0.055 177.685 177.584 0.260 0.000 1.044 336 A CA -0.568 51.579 52.037 0.184 0.000 0.693 336 A CB 1.346 20.484 19.000 0.230 0.000 1.272 336 A HN 1.499 nan 8.150 nan 0.000 0.402 337 S N -0.588 115.127 115.700 0.025 0.000 2.721 337 S HA 0.722 5.210 4.470 0.030 0.000 0.296 337 S C 0.689 175.370 174.600 0.136 0.000 1.093 337 S CA 0.060 58.176 58.200 -0.140 0.000 0.959 337 S CB 0.916 63.821 63.200 -0.492 0.000 1.301 337 S HN 1.989 nan 8.310 nan 0.000 0.550 338 C N -0.403 118.958 119.300 0.102 0.000 5.978 338 C HA -0.131 4.347 4.460 0.030 0.000 0.219 338 C C 1.833 176.896 174.990 0.121 0.000 1.316 338 C CA 0.629 59.739 59.018 0.154 0.000 1.155 338 C CB -2.796 25.053 27.740 0.182 0.000 2.323 338 C HN 1.005 nan 8.230 nan 0.000 0.645 339 H N 0.558 119.632 119.070 0.006 0.000 2.319 339 H HA -0.176 4.393 4.556 0.022 0.000 0.297 339 H C 1.920 176.760 175.328 -0.814 0.000 1.097 339 H CA 2.201 58.008 56.048 -0.403 0.000 1.285 339 H CB -0.486 29.227 29.762 -0.082 0.000 1.368 339 H HN 0.678 nan 8.280 nan 0.000 0.495 340 T N 0.863 115.007 114.554 -0.683 0.000 2.708 340 T HA -0.123 4.245 4.350 0.030 0.000 0.266 340 T C 1.914 176.309 174.700 -0.509 0.000 1.037 340 T CA 1.446 63.018 62.100 -0.880 0.000 1.146 340 T CB -0.131 68.624 68.868 -0.188 0.000 0.865 340 T HN 0.323 nan 8.240 nan 0.000 0.435 341 E N 1.452 121.493 120.200 -0.265 0.000 2.000 341 E HA -0.005 4.363 4.350 0.030 0.000 0.199 341 E C 2.540 179.043 176.600 -0.162 0.000 1.011 341 E CA 1.336 57.606 56.400 -0.217 0.000 0.836 341 E CB -0.678 28.989 29.700 -0.054 0.000 0.778 341 E HN 0.428 nan 8.360 nan 0.000 0.462 342 A N 0.159 122.943 122.820 -0.059 0.000 1.940 342 A HA -0.121 4.217 4.320 0.030 0.000 0.219 342 A C 2.310 179.876 177.584 -0.031 0.000 1.176 342 A CA 2.006 54.049 52.037 0.010 0.000 0.631 342 A CB -1.044 18.094 19.000 0.231 0.000 0.814 342 A HN 0.360 nan 8.150 nan 0.000 0.446 343 G N -2.184 106.541 108.800 -0.125 0.000 2.838 343 G HA2 0.299 4.278 3.960 0.030 0.000 0.210 343 G HA3 0.299 4.278 3.960 0.030 0.000 0.210 343 G C 1.129 176.042 174.900 0.022 0.000 1.153 343 G CA 1.015 46.092 45.100 -0.038 0.000 0.778 343 G HN 0.454 nan 8.290 nan 0.000 0.539 344 L N -1.019 120.151 121.223 -0.089 0.000 2.691 344 L HA 0.482 4.841 4.340 0.030 0.000 0.185 344 L C 2.127 178.965 176.870 -0.053 0.000 1.081 344 L CA 0.491 55.319 54.840 -0.020 0.000 0.865 344 L CB -0.359 41.693 42.059 -0.012 0.000 1.370 344 L HN -0.026 nan 8.230 nan 0.000 0.488 345 I N 0.551 121.003 120.570 -0.197 0.000 2.179 345 I HA -0.224 3.964 4.170 0.030 0.000 0.242 345 I C 2.349 178.527 176.117 0.103 0.000 1.088 345 I CA 1.621 62.838 61.300 -0.138 0.000 1.357 345 I CB -0.707 37.018 38.000 -0.458 0.000 1.051 345 I HN 0.176 nan 8.210 nan 0.000 0.409 346 L N -0.089 121.150 121.223 0.027 0.000 2.353 346 L HA -0.177 4.181 4.340 0.030 0.000 0.220 346 L C 2.397 179.401 176.870 0.223 0.000 1.133 346 L CA 0.856 55.753 54.840 0.095 0.000 0.798 346 L CB -0.473 41.564 42.059 -0.037 0.000 0.922 346 L HN 0.272 nan 8.230 nan 0.000 0.445 347 E N 0.016 120.312 120.200 0.162 0.000 2.076 347 E HA -0.179 4.189 4.350 0.030 0.000 0.190 347 E C 2.192 178.915 176.600 0.207 0.000 0.979 347 E CA 0.775 57.275 56.400 0.167 0.000 0.807 347 E CB 0.026 29.796 29.700 0.118 0.000 0.761 347 E HN 0.178 nan 8.360 nan 0.000 0.454 348 R N -0.158 120.486 120.500 0.240 0.000 2.115 348 R HA -0.111 4.248 4.340 0.030 0.000 0.226 348 R C 1.971 178.517 176.300 0.410 0.000 1.100 348 R CA 1.310 57.587 56.100 0.295 0.000 0.980 348 R CB -0.909 29.571 30.300 0.300 0.000 0.875 348 R HN 0.249 nan 8.270 nan 0.000 0.445 349 W N 0.555 122.020 121.300 0.275 0.000 2.333 349 W HA -0.152 4.527 4.660 0.032 0.000 0.316 349 W C 1.894 178.474 176.519 0.101 0.000 1.215 349 W CA 2.493 59.904 57.345 0.110 0.000 1.278 349 W CB -0.676 28.736 29.460 -0.080 0.000 1.154 349 W HN 0.147 nan 8.180 nan 0.000 0.486 350 A N 0.383 123.349 122.820 0.242 0.000 1.865 350 A HA -0.316 4.023 4.320 0.030 0.000 0.217 350 A C 2.031 179.568 177.584 -0.080 0.000 1.191 350 A CA 2.077 54.105 52.037 -0.016 0.000 0.623 350 A CB -1.460 17.657 19.000 0.195 0.000 0.826 350 A HN 0.558 nan 8.150 nan 0.000 0.444 351 E N -1.089 119.130 120.200 0.032 0.000 2.267 351 E HA -0.292 4.076 4.350 0.030 0.000 0.197 351 E C 1.975 178.540 176.600 -0.059 0.000 0.998 351 E CA 1.556 57.963 56.400 0.012 0.000 0.830 351 E CB -0.039 29.698 29.700 0.061 0.000 0.751 351 E HN 0.657 nan 8.360 nan 0.000 0.491 352 Q N -1.094 118.640 119.800 -0.109 0.000 2.259 352 Q HA 0.092 4.450 4.340 0.030 0.000 0.201 352 Q C 1.591 177.295 176.000 -0.494 0.000 0.938 352 Q CA 1.392 57.059 55.803 -0.227 0.000 0.872 352 Q CB 0.475 29.148 28.738 -0.108 0.000 0.971 352 Q HN 0.256 nan 8.270 nan 0.000 0.494 353 G N -1.834 106.602 108.800 -0.606 0.000 2.815 353 G HA2 0.019 3.997 3.960 0.030 0.000 0.215 353 G HA3 0.019 3.997 3.960 0.030 0.000 0.215 353 G C -0.690 173.918 174.900 -0.486 0.000 1.054 353 G CA -0.266 44.441 45.100 -0.656 0.000 0.832 353 G HN 0.245 nan 8.290 nan 0.000 0.557 354 Y N 2.370 122.295 120.300 -0.624 0.000 2.327 354 Y HA 0.430 5.001 4.550 0.034 0.000 0.336 354 Y C 1.083 176.837 175.900 -0.244 0.000 1.035 354 Y CA -0.538 57.289 58.100 -0.455 0.000 1.165 354 Y CB 1.092 39.270 38.460 -0.470 0.000 1.181 354 Y HN 0.074 nan 8.280 nan 0.000 0.494 355 K N 3.464 123.441 120.400 -0.705 0.000 2.592 355 K HA 0.395 4.733 4.320 0.030 0.000 0.203 355 K C 0.458 176.721 176.600 -0.562 0.000 1.070 355 K CA -0.233 55.779 56.287 -0.459 0.000 1.062 355 K CB 0.767 33.091 32.500 -0.293 0.000 0.814 355 K HN 0.697 nan 8.250 nan 0.000 0.502 356 G N 1.078 109.167 108.800 -1.185 0.000 2.510 356 G HA2 0.079 4.057 3.960 0.030 0.000 0.280 356 G HA3 0.079 4.057 3.960 0.030 0.000 0.280 356 G C 0.182 175.059 174.900 -0.039 0.000 1.386 356 G CA -0.606 44.112 45.100 -0.637 0.000 1.047 356 G HN 0.112 nan 8.290 nan 0.000 0.527 357 N N -0.242 118.556 118.700 0.164 0.000 2.322 357 N HA 0.064 4.822 4.740 0.030 0.000 0.181 357 N C 1.328 177.040 175.510 0.337 0.000 1.088 357 N CA 0.343 53.519 53.050 0.209 0.000 0.885 357 N CB 0.420 38.991 38.487 0.141 0.000 1.013 357 N HN 0.492 nan 8.380 nan 0.000 0.472 358 G N 0.873 109.944 108.800 0.452 0.000 2.683 358 G HA2 0.363 4.341 3.960 0.030 0.000 0.260 358 G HA3 0.363 4.341 3.960 0.030 0.000 0.260 358 G C -0.426 174.659 174.900 0.309 0.000 1.238 358 G CA -0.157 45.136 45.100 0.322 0.000 0.934 358 G HN 0.201 nan 8.290 nan 0.000 0.534 359 F N -2.329 117.629 119.950 0.013 0.000 2.662 359 F HA 0.567 5.107 4.527 0.022 0.000 0.312 359 F C -0.809 174.978 175.800 -0.021 0.000 1.113 359 F CA -1.980 56.019 58.000 -0.001 0.000 0.951 359 F CB 1.433 40.462 39.000 0.049 0.000 1.344 359 F HN 0.394 nan 8.300 nan 0.000 0.462 360 N N 3.470 122.245 118.700 0.125 0.000 2.401 360 N HA 0.324 5.082 4.740 0.030 0.000 0.255 360 N C -1.832 173.803 175.510 0.209 0.000 1.110 360 N CA -2.715 50.367 53.050 0.054 0.000 0.949 360 N CB 0.961 39.510 38.487 0.104 0.000 1.110 360 N HN 0.470 nan 8.380 nan 0.000 0.490 361 P HA -0.009 nan 4.420 nan 0.000 0.239 361 P C -0.112 177.336 177.300 0.247 0.000 1.184 361 P CA 0.576 63.831 63.100 0.257 0.000 0.760 361 P CB 0.196 31.968 31.700 0.120 0.000 0.884 362 A N -0.104 122.820 122.820 0.172 0.000 2.603 362 A HA 0.110 4.448 4.320 0.030 0.000 0.277 362 A C 1.724 179.368 177.584 0.100 0.000 1.158 362 A CA -0.258 51.853 52.037 0.122 0.000 0.962 362 A CB -0.298 18.778 19.000 0.127 0.000 1.189 362 A HN 0.195 nan 8.150 nan 0.000 0.552 363 E N -0.298 119.984 120.200 0.136 0.000 2.409 363 E HA -0.050 4.318 4.350 0.030 0.000 0.198 363 E C 1.073 177.723 176.600 0.084 0.000 1.024 363 E CA 1.015 57.483 56.400 0.114 0.000 0.861 363 E CB -0.168 29.615 29.700 0.138 0.000 0.788 363 E HN 0.356 nan 8.360 nan 0.000 0.521 364 G N 0.982 109.827 108.800 0.075 0.000 3.707 364 G HA2 0.172 4.150 3.960 0.030 0.000 0.286 364 G HA3 0.172 4.150 3.960 0.030 0.000 0.286 364 G C 0.848 175.760 174.900 0.021 0.000 1.112 364 G CA -0.383 44.742 45.100 0.043 0.000 0.861 364 G HN 0.107 nan 8.290 nan 0.000 0.534 365 L N 0.400 121.638 121.223 0.026 0.000 2.072 365 L HA 0.203 4.562 4.340 0.030 0.000 0.205 365 L C 2.408 179.289 176.870 0.019 0.000 1.079 365 L CA 1.168 56.008 54.840 -0.001 0.000 0.752 365 L CB -0.344 41.691 42.059 -0.041 0.000 0.906 365 L HN 0.245 nan 8.230 nan 0.000 0.436 366 I N -0.052 120.545 120.570 0.045 0.000 2.142 366 I HA -0.285 3.903 4.170 0.030 0.000 0.240 366 I C 2.050 178.112 176.117 -0.091 0.000 1.078 366 I CA 1.542 62.789 61.300 -0.088 0.000 1.343 366 I CB -0.573 37.361 38.000 -0.110 0.000 1.046 366 I HN 0.318 nan 8.210 nan 0.000 0.405 367 N N 0.525 119.199 118.700 -0.042 0.000 2.166 367 N HA -0.218 4.540 4.740 0.030 0.000 0.186 367 N C 1.835 177.330 175.510 -0.026 0.000 1.019 367 N CA 1.284 54.316 53.050 -0.030 0.000 0.856 367 N CB -0.327 38.151 38.487 -0.016 0.000 0.993 367 N HN 0.403 nan 8.380 nan 0.000 0.426 368 E N 0.289 120.470 120.200 -0.031 0.000 2.153 368 E HA -0.004 4.364 4.350 0.030 0.000 0.194 368 E C 1.700 178.259 176.600 -0.067 0.000 0.988 368 E CA 0.680 57.057 56.400 -0.039 0.000 0.811 368 E CB -0.109 29.568 29.700 -0.039 0.000 0.746 368 E HN 0.345 nan 8.360 nan 0.000 0.466 369 L N -0.832 120.337 121.223 -0.090 0.000 2.127 369 L HA 0.035 4.393 4.340 0.030 0.000 0.203 369 L C 2.350 179.174 176.870 -0.077 0.000 1.080 369 L CA 0.790 55.538 54.840 -0.153 0.000 0.768 369 L CB -0.418 41.529 42.059 -0.187 0.000 0.924 369 L HN 0.183 nan 8.230 nan 0.000 0.444 370 A N 0.389 123.202 122.820 -0.011 0.000 1.908 370 A HA -0.164 4.174 4.320 0.030 0.000 0.218 370 A C 2.349 180.000 177.584 0.111 0.000 1.181 370 A CA 1.830 53.911 52.037 0.074 0.000 0.627 370 A CB -1.289 17.722 19.000 0.018 0.000 0.818 370 A HN 0.446 nan 8.150 nan 0.000 0.445 371 G N -0.459 108.381 108.800 0.067 0.000 2.446 371 G HA2 -0.055 3.924 3.960 0.030 0.000 0.217 371 G HA3 -0.055 3.924 3.960 0.030 0.000 0.217 371 G C 1.761 176.753 174.900 0.154 0.000 1.168 371 G CA 1.610 46.785 45.100 0.126 0.000 0.771 371 G HN 0.876 nan 8.290 nan 0.000 0.551 372 A N -0.243 122.577 122.820 0.001 0.000 1.972 372 A HA -0.018 4.320 4.320 0.030 0.000 0.219 372 A C 2.202 179.737 177.584 -0.081 0.000 1.169 372 A CA 1.335 53.328 52.037 -0.074 0.000 0.635 372 A CB -0.608 18.240 19.000 -0.252 0.000 0.810 372 A HN 0.585 nan 8.150 nan 0.000 0.446 373 W N 0.086 121.332 121.300 -0.090 0.000 2.407 373 W HA -0.077 4.618 4.660 0.058 0.000 0.305 373 W C 2.351 178.880 176.519 0.016 0.000 1.196 373 W CA 1.150 58.360 57.345 -0.224 0.000 1.311 373 W CB -0.004 29.196 29.460 -0.433 0.000 1.135 373 W HN 0.215 nan 8.180 nan 0.000 0.514 374 K N -0.381 120.226 120.400 0.346 0.000 2.034 374 K HA -0.242 4.096 4.320 0.030 0.000 0.214 374 K C 1.287 177.916 176.600 0.047 0.000 1.051 374 K CA 1.947 58.361 56.287 0.212 0.000 0.931 374 K CB -0.667 31.861 32.500 0.046 0.000 0.715 374 K HN 0.270 nan 8.250 nan 0.000 0.446 375 H N 0.195 119.347 119.070 0.137 0.000 2.547 375 H HA 0.057 4.632 4.556 0.033 0.000 0.266 375 H C 0.413 175.792 175.328 0.084 0.000 0.988 375 H CA 0.136 56.223 56.048 0.064 0.000 1.147 375 H CB 0.098 29.875 29.762 0.025 0.000 1.365 375 H HN 0.145 nan 8.280 nan 0.000 0.589 376 S N -0.044 115.786 115.700 0.217 0.000 2.632 376 S HA 0.216 4.704 4.470 0.030 0.000 0.271 376 S C 1.051 175.772 174.600 0.202 0.000 1.260 376 S CA -0.961 57.358 58.200 0.198 0.000 1.010 376 S CB 1.567 64.897 63.200 0.216 0.000 0.965 376 S HN 0.210 nan 8.310 nan 0.000 0.534 377 R N 0.794 121.354 120.500 0.099 0.000 2.547 377 R HA 0.281 4.639 4.340 0.030 0.000 0.258 377 R C 0.553 177.017 176.300 0.274 0.000 1.115 377 R CA 0.045 56.218 56.100 0.123 0.000 1.152 377 R CB -1.128 29.182 30.300 0.016 0.000 1.221 377 R HN 0.787 nan 8.270 nan 0.000 0.539 378 A N 1.847 124.914 122.820 0.412 0.000 2.498 378 A HA 0.161 4.500 4.320 0.030 0.000 0.239 378 A C 0.573 178.407 177.584 0.417 0.000 1.068 378 A CA -0.207 52.098 52.037 0.446 0.000 0.766 378 A CB 0.503 19.500 19.000 -0.005 0.000 1.003 378 A HN 0.141 nan 8.150 nan 0.000 0.497 379 R N 2.082 122.792 120.500 0.350 0.000 2.893 379 R HA 0.111 4.469 4.340 0.030 0.000 0.279 379 R C -1.776 174.716 176.300 0.320 0.000 1.076 379 R CA -1.546 54.724 56.100 0.283 0.000 1.203 379 R CB -0.955 29.494 30.300 0.249 0.000 1.137 379 R HN 0.454 nan 8.270 nan 0.000 0.541 380 P HA -0.090 nan 4.420 nan 0.000 0.215 380 P C 0.120 177.551 177.300 0.219 0.000 1.157 380 P CA 1.169 64.337 63.100 0.113 0.000 0.863 380 P CB 0.117 31.860 31.700 0.071 0.000 0.787 381 F N 0.018 120.038 119.950 0.116 0.000 2.404 381 F HA 0.387 4.933 4.527 0.033 0.000 0.354 381 F C -0.643 175.231 175.800 0.124 0.000 1.122 381 F CA -0.927 57.132 58.000 0.099 0.000 1.080 381 F CB 0.893 39.944 39.000 0.085 0.000 1.131 381 F HN -0.402 nan 8.300 nan 0.000 0.471 382 V N 5.484 125.252 119.914 -0.242 0.000 2.459 382 V HA 0.252 4.390 4.120 0.030 0.000 0.295 382 V C -0.774 175.233 176.094 -0.145 0.000 1.029 382 V CA -0.806 61.431 62.300 -0.106 0.000 0.874 382 V CB 1.331 32.934 31.823 -0.367 0.000 0.985 382 V HN 0.598 nan 8.190 nan 0.000 0.438 383 H N 3.997 123.110 119.070 0.071 0.000 2.604 383 H HA 0.517 5.091 4.556 0.030 0.000 0.306 383 H C -0.162 175.203 175.328 0.062 0.000 1.075 383 H CA -0.231 55.882 56.048 0.108 0.000 1.357 383 H CB 0.987 30.850 29.762 0.168 0.000 1.426 383 H HN 0.522 nan 8.280 nan 0.000 0.470 384 I N 4.922 125.544 120.570 0.087 0.000 2.291 384 I HA 0.150 4.339 4.170 0.030 0.000 0.290 384 I C -0.154 176.024 176.117 0.102 0.000 1.050 384 I CA -0.025 61.352 61.300 0.130 0.000 1.245 384 I CB 0.309 38.364 38.000 0.091 0.000 1.405 384 I HN 0.456 nan 8.210 nan 0.000 0.478 385 M N 7.406 127.054 119.600 0.080 0.000 2.113 385 M HA 0.336 4.834 4.480 0.030 0.000 0.352 385 M C -0.424 175.870 176.300 -0.011 0.000 1.170 385 M CA -0.386 54.988 55.300 0.124 0.000 1.053 385 M CB 1.214 33.943 32.600 0.215 0.000 1.601 385 M HN 0.521 nan 8.290 nan 0.000 0.459 386 Q N 0.970 120.716 119.800 -0.090 0.000 2.423 386 Q HA 0.539 4.898 4.340 0.030 0.000 0.278 386 Q C -1.314 174.324 176.000 -0.604 0.000 1.097 386 Q CA -1.121 54.427 55.803 -0.425 0.000 0.809 386 Q CB 2.155 30.742 28.738 -0.252 0.000 1.391 386 Q HN 0.470 nan 8.270 nan 0.000 0.428 387 D N 0.966 120.688 120.400 -1.131 0.000 2.398 387 D HA 0.098 4.756 4.640 0.030 0.000 0.247 387 D C -0.707 175.330 176.300 -0.439 0.000 1.227 387 D CA -0.289 53.075 54.000 -1.060 0.000 0.980 387 D CB 0.934 40.987 40.800 -1.244 0.000 1.106 387 D HN 0.499 nan 8.370 nan 0.000 0.493 388 K N 1.740 121.987 120.400 -0.255 0.000 2.187 388 K HA 0.203 4.541 4.320 0.030 0.000 0.242 388 K C -0.814 175.701 176.600 -0.142 0.000 1.179 388 K CA -0.272 55.929 56.287 -0.142 0.000 1.097 388 K CB 0.303 32.764 32.500 -0.064 0.000 1.634 388 K HN 0.264 nan 8.250 nan 0.000 0.335 389 D N 1.607 121.906 120.400 -0.168 0.000 2.619 389 D HA 0.113 4.771 4.640 0.030 0.000 0.241 389 D C 1.009 177.235 176.300 -0.122 0.000 1.087 389 D CA -0.535 53.378 54.000 -0.144 0.000 0.851 389 D CB 1.697 42.387 40.800 -0.183 0.000 1.474 389 D HN 0.089 nan 8.370 nan 0.000 0.478 390 I N 0.171 120.691 120.570 -0.084 0.000 2.614 390 I HA -0.088 4.100 4.170 0.030 0.000 0.258 390 I C 1.964 178.034 176.117 -0.079 0.000 1.189 390 I CA 1.020 62.292 61.300 -0.047 0.000 1.462 390 I CB -0.563 37.431 38.000 -0.010 0.000 1.092 390 I HN 0.473 nan 8.210 nan 0.000 0.442 391 E N 1.492 121.582 120.200 -0.184 0.000 2.086 391 E HA -0.151 4.217 4.350 0.030 0.000 0.190 391 E C 1.936 178.142 176.600 -0.656 0.000 0.975 391 E CA 0.616 56.728 56.400 -0.480 0.000 0.813 391 E CB 0.031 29.557 29.700 -0.291 0.000 0.768 391 E HN 0.575 nan 8.360 nan 0.000 0.457 392 E N 0.382 120.382 120.200 -0.333 0.000 2.267 392 E HA -0.189 4.179 4.350 0.030 0.000 0.197 392 E C 1.735 178.245 176.600 -0.151 0.000 0.998 392 E CA 0.798 57.069 56.400 -0.215 0.000 0.830 392 E CB -0.133 29.430 29.700 -0.230 0.000 0.751 392 E HN 0.255 nan 8.360 nan 0.000 0.491 393 N N 0.186 118.792 118.700 -0.156 0.000 2.084 393 N HA -0.188 4.570 4.740 0.030 0.000 0.190 393 N C 1.726 177.277 175.510 0.070 0.000 1.030 393 N CA 1.596 54.626 53.050 -0.033 0.000 0.849 393 N CB -0.137 38.356 38.487 0.010 0.000 1.012 393 N HN 0.362 nan 8.380 nan 0.000 0.423 394 Y N -2.261 118.104 120.300 0.108 0.000 2.490 394 Y HA 0.181 4.748 4.550 0.028 0.000 0.285 394 Y C 2.195 178.237 175.900 0.235 0.000 1.117 394 Y CA 0.540 58.734 58.100 0.157 0.000 1.262 394 Y CB -0.938 37.636 38.460 0.190 0.000 1.043 394 Y HN 0.234 nan 8.280 nan 0.000 0.553 395 H N 0.871 119.889 119.070 -0.086 0.000 2.293 395 H HA -0.119 4.452 4.556 0.025 0.000 0.300 395 H C 2.272 177.730 175.328 0.217 0.000 1.082 395 H CA 1.182 57.280 56.048 0.083 0.000 1.308 395 H CB 0.032 29.770 29.762 -0.040 0.000 1.375 395 H HN 0.468 nan 8.280 nan 0.000 0.495 396 A N 0.831 123.733 122.820 0.136 0.000 1.892 396 A HA -0.264 4.074 4.320 0.030 0.000 0.218 396 A C 2.304 179.907 177.584 0.032 0.000 1.188 396 A CA 2.048 54.166 52.037 0.135 0.000 0.631 396 A CB -0.776 18.273 19.000 0.081 0.000 0.822 396 A HN 0.584 nan 8.150 nan 0.000 0.447 397 Q N -2.405 117.436 119.800 0.068 0.000 2.224 397 Q HA -0.072 4.287 4.340 0.030 0.000 0.203 397 Q C 1.710 177.715 176.000 0.010 0.000 0.970 397 Q CA 1.284 57.103 55.803 0.026 0.000 0.865 397 Q CB -0.182 28.612 28.738 0.093 0.000 0.922 397 Q HN 0.767 nan 8.270 nan 0.000 0.445 398 F N -0.260 119.657 119.950 -0.056 0.000 2.234 398 F HA -0.089 4.451 4.527 0.021 0.000 0.296 398 F C 1.922 177.578 175.800 -0.240 0.000 1.089 398 F CA 0.874 58.826 58.000 -0.080 0.000 1.343 398 F CB 0.112 39.136 39.000 0.040 0.000 1.040 398 F HN 0.071 nan 8.300 nan 0.000 0.498 399 M N 0.576 119.948 119.600 -0.379 0.000 2.288 399 M HA -0.069 4.429 4.480 0.030 0.000 0.266 399 M C 2.113 177.988 176.300 -0.708 0.000 1.072 399 M CA 1.474 56.340 55.300 -0.723 0.000 1.132 399 M CB -0.757 31.056 32.600 -1.312 0.000 1.386 399 M HN 0.294 nan 8.290 nan 0.000 0.432 400 E N -0.769 119.097 120.200 -0.557 0.000 2.150 400 E HA -0.256 4.112 4.350 0.030 0.000 0.193 400 E C 1.947 178.092 176.600 -0.759 0.000 0.985 400 E CA 1.086 57.088 56.400 -0.662 0.000 0.814 400 E CB -0.073 29.323 29.700 -0.506 0.000 0.752 400 E HN 0.693 nan 8.360 nan 0.000 0.466 401 Q N -0.683 118.800 119.800 -0.528 0.000 2.311 401 Q HA -0.026 4.332 4.340 0.030 0.000 0.203 401 Q C 1.792 177.570 176.000 -0.370 0.000 0.954 401 Q CA 0.763 56.336 55.803 -0.382 0.000 0.885 401 Q CB 0.107 28.680 28.738 -0.275 0.000 0.963 401 Q HN 0.316 nan 8.270 nan 0.000 0.471 402 A N 0.153 122.684 122.820 -0.482 0.000 1.930 402 A HA -0.062 4.276 4.320 0.030 0.000 0.215 402 A C 1.853 179.269 177.584 -0.280 0.000 1.176 402 A CA 0.641 52.468 52.037 -0.349 0.000 0.632 402 A CB -0.292 18.503 19.000 -0.342 0.000 0.819 402 A HN 0.371 nan 8.150 nan 0.000 0.445 403 L N -1.548 119.350 121.223 -0.541 0.000 2.109 403 L HA -0.111 4.247 4.340 0.030 0.000 0.207 403 L C 2.378 179.158 176.870 -0.151 0.000 1.086 403 L CA 1.263 55.725 54.840 -0.630 0.000 0.760 403 L CB -0.618 40.821 42.059 -1.035 0.000 0.910 403 L HN 0.504 nan 8.230 nan 0.000 0.437 404 H N -1.240 117.690 119.070 -0.233 0.000 2.457 404 H HA -0.186 4.389 4.556 0.032 0.000 0.294 404 H C 2.196 177.463 175.328 -0.101 0.000 1.064 404 H CA 0.911 56.868 56.048 -0.152 0.000 1.330 404 H CB 0.334 29.999 29.762 -0.161 0.000 1.395 404 H HN 0.396 nan 8.280 nan 0.000 0.541 405 Q N 0.741 120.552 119.800 0.018 0.000 2.137 405 Q HA -0.000 4.358 4.340 0.030 0.000 0.198 405 Q C 2.035 178.051 176.000 0.028 0.000 0.960 405 Q CA 0.834 56.636 55.803 -0.001 0.000 0.847 405 Q CB 0.133 28.848 28.738 -0.038 0.000 0.915 405 Q HN 0.389 nan 8.270 nan 0.000 0.448 406 A N 0.054 122.924 122.820 0.083 0.000 2.252 406 A HA 0.298 4.636 4.320 0.030 0.000 0.207 406 A C 1.125 178.789 177.584 0.133 0.000 1.194 406 A CA 0.612 52.760 52.037 0.186 0.000 0.809 406 A CB -0.759 18.452 19.000 0.351 0.000 0.814 406 A HN 0.592 nan 8.150 nan 0.000 0.482 407 G N -1.333 107.489 108.800 0.037 0.000 2.298 407 G HA2 -0.239 3.739 3.960 0.030 0.000 0.287 407 G HA3 -0.239 3.739 3.960 0.030 0.000 0.287 407 G C -0.243 174.480 174.900 -0.295 0.000 1.075 407 G CA 0.328 45.355 45.100 -0.123 0.000 0.960 407 G HN 0.306 nan 8.290 nan 0.000 0.502 408 F N -0.467 119.393 119.950 -0.150 0.000 2.613 408 F HA 0.712 5.260 4.527 0.034 0.000 0.342 408 F C 0.711 176.411 175.800 -0.168 0.000 1.066 408 F CA -0.993 56.887 58.000 -0.200 0.000 1.002 408 F CB 1.334 40.116 39.000 -0.363 0.000 1.319 408 F HN 0.120 nan 8.300 nan 0.000 0.495 409 E N 0.026 120.182 120.200 -0.074 0.000 2.238 409 E HA 0.581 4.949 4.350 0.030 0.000 0.267 409 E C -1.203 174.922 176.600 -0.792 0.000 0.887 409 E CA -0.803 55.426 56.400 -0.285 0.000 0.769 409 E CB 2.345 31.956 29.700 -0.150 0.000 1.187 409 E HN 0.637 nan 8.360 nan 0.000 0.416 410 T N -0.035 114.133 114.554 -0.644 0.000 2.883 410 T HA 0.617 4.986 4.350 0.030 0.000 0.301 410 T C -0.723 173.702 174.700 -0.459 0.000 1.158 410 T CA -1.089 60.556 62.100 -0.760 0.000 1.007 410 T CB 2.136 70.702 68.868 -0.502 0.000 1.186 410 T HN 0.436 nan 8.240 nan 0.000 0.499 411 R N 1.292 121.571 120.500 -0.368 0.000 2.574 411 R HA 0.638 4.996 4.340 0.030 0.000 0.288 411 R C -1.266 174.979 176.300 -0.092 0.000 1.004 411 R CA -0.870 55.159 56.100 -0.118 0.000 0.895 411 R CB 1.423 31.720 30.300 -0.005 0.000 1.191 411 R HN 0.772 nan 8.270 nan 0.000 0.444 412 I N 5.397 125.946 120.570 -0.035 0.000 2.440 412 I HA 0.282 4.470 4.170 0.030 0.000 0.294 412 I C -0.254 175.884 176.117 0.036 0.000 0.995 412 I CA -0.774 60.525 61.300 -0.002 0.000 1.306 412 I CB 1.381 39.376 38.000 -0.007 0.000 1.407 412 I HN 0.404 nan 8.210 nan 0.000 0.501 413 L N 6.710 127.970 121.223 0.062 0.000 2.345 413 L HA 0.480 4.839 4.340 0.030 0.000 0.274 413 L C -0.332 176.583 176.870 0.075 0.000 0.999 413 L CA -0.615 54.275 54.840 0.082 0.000 0.849 413 L CB 1.108 43.241 42.059 0.124 0.000 1.220 413 L HN 0.536 nan 8.230 nan 0.000 0.422 414 R N 2.838 123.366 120.500 0.048 0.000 2.205 414 R HA 0.594 4.952 4.340 0.030 0.000 0.342 414 R C 0.580 176.925 176.300 0.074 0.000 1.058 414 R CA 0.014 56.130 56.100 0.027 0.000 0.904 414 R CB 1.240 31.538 30.300 -0.003 0.000 1.089 414 R HN 0.895 nan 8.270 nan 0.000 0.471 415 G N 1.496 110.395 108.800 0.165 0.000 2.660 415 G HA2 -0.262 3.716 3.960 0.030 0.000 0.215 415 G HA3 -0.262 3.716 3.960 0.030 0.000 0.215 415 G C 0.212 175.224 174.900 0.187 0.000 1.345 415 G CA -0.705 44.543 45.100 0.245 0.000 0.877 415 G HN 0.502 nan 8.290 nan 0.000 0.549 416 L N -0.160 121.111 121.223 0.080 0.000 2.672 416 L HA 0.207 4.566 4.340 0.030 0.000 0.236 416 L C 2.107 178.943 176.870 -0.057 0.000 1.092 416 L CA 0.504 55.324 54.840 -0.033 0.000 0.887 416 L CB -0.171 41.812 42.059 -0.127 0.000 1.168 416 L HN 0.503 nan 8.230 nan 0.000 0.502 417 D N 1.315 121.701 120.400 -0.023 0.000 2.191 417 D HA -0.295 4.363 4.640 0.030 0.000 0.195 417 D C 1.811 178.089 176.300 -0.037 0.000 1.003 417 D CA 1.532 55.514 54.000 -0.030 0.000 0.867 417 D CB 0.003 40.800 40.800 -0.004 0.000 0.926 417 D HN 0.395 nan 8.370 nan 0.000 0.450 418 E N -0.370 119.818 120.200 -0.021 0.000 2.516 418 E HA -0.031 4.338 4.350 0.030 0.000 0.199 418 E C 0.238 176.810 176.600 -0.048 0.000 1.069 418 E CA -0.071 56.320 56.400 -0.016 0.000 0.876 418 E CB 0.097 29.807 29.700 0.016 0.000 0.843 418 E HN 0.246 nan 8.360 nan 0.000 0.530 419 L N 0.011 121.173 121.223 -0.102 0.000 2.379 419 L HA 0.547 4.905 4.340 0.030 0.000 0.269 419 L C 0.503 177.213 176.870 -0.267 0.000 1.084 419 L CA -0.287 54.438 54.840 -0.191 0.000 0.802 419 L CB 1.774 43.681 42.059 -0.255 0.000 1.175 419 L HN 0.048 nan 8.230 nan 0.000 0.448 420 G N 0.543 109.142 108.800 -0.336 0.000 2.576 420 G HA2 0.332 4.310 3.960 0.030 0.000 0.290 420 G HA3 0.332 4.310 3.960 0.030 0.000 0.290 420 G C -1.935 172.763 174.900 -0.337 0.000 1.442 420 G CA -0.586 44.314 45.100 -0.334 0.000 0.792 420 G HN 0.364 nan 8.290 nan 0.000 0.491 427 L N 4.652 125.960 121.223 0.141 0.000 2.319 427 L HA 0.516 4.874 4.340 0.030 0.000 0.280 427 L C -0.169 176.640 176.870 -0.102 0.000 1.099 427 L CA 0.197 55.003 54.840 -0.056 0.000 0.828 427 L CB 0.516 42.518 42.059 -0.095 0.000 1.150 427 L HN 0.570 nan 8.230 nan 0.000 0.442 428 I N 0.057 120.541 120.570 -0.143 0.000 3.042 428 I HA 0.685 4.873 4.170 0.030 0.000 0.310 428 I C -0.768 175.273 176.117 -0.126 0.000 1.117 428 I CA -0.975 60.255 61.300 -0.116 0.000 1.003 428 I CB 2.149 40.118 38.000 -0.051 0.000 1.228 428 I HN 0.503 nan 8.210 nan 0.000 0.443 429 D N 2.336 122.700 120.400 -0.060 0.000 2.530 429 D HA 0.380 5.038 4.640 0.030 0.000 0.282 429 D C 1.202 177.506 176.300 0.007 0.000 1.204 429 D CA -0.019 53.985 54.000 0.007 0.000 1.093 429 D CB -0.018 40.890 40.800 0.180 0.000 1.154 429 D HN 0.690 nan 8.370 nan 0.000 0.593 430 G N -0.530 108.288 108.800 0.030 0.000 2.604 430 G HA2 -0.260 3.718 3.960 0.030 0.000 0.216 430 G HA3 -0.260 3.718 3.960 0.030 0.000 0.216 430 G C 0.860 175.768 174.900 0.013 0.000 1.265 430 G CA 0.498 45.608 45.100 0.017 0.000 0.804 430 G HN 0.649 nan 8.290 nan 0.000 0.579 431 E N 1.146 121.357 120.200 0.019 0.000 2.453 431 E HA 0.183 4.551 4.350 0.030 0.000 0.207 431 E C 1.710 178.305 176.600 -0.009 0.000 1.212 431 E CA 0.167 56.569 56.400 0.004 0.000 0.959 431 E CB -0.626 29.074 29.700 0.000 0.000 0.957 431 E HN 0.556 nan 8.360 nan 0.000 0.540 432 G N 2.122 110.918 108.800 -0.006 0.000 2.189 432 G HA2 -0.396 3.582 3.960 0.030 0.000 0.267 432 G HA3 -0.396 3.582 3.960 0.030 0.000 0.267 432 G C 0.433 175.315 174.900 -0.029 0.000 0.975 432 G CA 0.509 45.600 45.100 -0.014 0.000 0.644 432 G HN 0.387 nan 8.290 nan 0.000 0.537 433 R N -0.086 120.392 120.500 -0.038 0.000 2.582 433 R HA 0.553 4.911 4.340 0.030 0.000 0.271 433 R C 0.538 176.795 176.300 -0.073 0.000 1.078 433 R CA -0.683 55.372 56.100 -0.075 0.000 1.127 433 R CB 0.152 30.366 30.300 -0.144 0.000 1.038 433 R HN 0.226 nan 8.270 nan 0.000 0.500 434 L N 3.184 124.353 121.223 -0.089 0.000 2.380 434 L HA 0.181 4.539 4.340 0.030 0.000 0.273 434 L C -0.317 176.449 176.870 -0.172 0.000 1.138 434 L CA -0.482 54.303 54.840 -0.091 0.000 0.832 434 L CB 1.549 43.582 42.059 -0.043 0.000 1.124 434 L HN 0.381 nan 8.230 nan 0.000 0.454 435 V N 4.406 124.171 119.914 -0.248 0.000 2.288 435 V HA 0.140 4.278 4.120 0.030 0.000 0.266 435 V C 0.732 176.758 176.094 -0.113 0.000 1.048 435 V CA -0.247 61.820 62.300 -0.390 0.000 0.842 435 V CB 0.511 32.073 31.823 -0.435 0.000 1.064 435 V HN 0.957 nan 8.190 nan 0.000 0.472 436 N N 2.134 120.837 118.700 0.004 0.000 2.166 436 N HA 0.112 4.870 4.740 0.030 0.000 0.213 436 N C 0.099 175.702 175.510 0.155 0.000 1.222 436 N CA -0.313 52.786 53.050 0.082 0.000 0.900 436 N CB 1.111 39.654 38.487 0.093 0.000 1.055 436 N HN 0.506 nan 8.380 nan 0.000 0.515 437 C N 1.647 121.071 119.300 0.207 0.000 2.505 437 C HA 0.598 5.077 4.460 0.030 0.000 0.342 437 C C -1.081 174.082 174.990 0.289 0.000 1.121 437 C CA -0.224 58.964 59.018 0.283 0.000 1.306 437 C CB 0.652 28.575 27.740 0.305 0.000 1.897 437 C HN 0.113 nan 8.230 nan 0.000 0.446 438 V N 5.506 125.606 119.914 0.310 0.000 2.588 438 V HA 0.547 4.685 4.120 0.030 0.000 0.304 438 V C -0.851 175.461 176.094 0.364 0.000 1.042 438 V CA -0.450 62.013 62.300 0.271 0.000 0.877 438 V CB 1.896 33.807 31.823 0.146 0.000 0.996 438 V HN 0.872 nan 8.190 nan 0.000 0.425 439 W N 6.591 127.955 121.300 0.106 0.000 2.376 439 W HA 0.646 5.319 4.660 0.021 0.000 0.312 439 W C -0.042 176.510 176.519 0.056 0.000 1.060 439 W CA -1.091 56.317 57.345 0.106 0.000 1.221 439 W CB 1.214 30.648 29.460 -0.043 0.000 1.281 439 W HN 0.606 nan 8.180 nan 0.000 0.456 440 K N 2.539 122.495 120.400 -0.740 0.000 2.207 440 K HA 0.569 4.907 4.320 0.030 0.000 0.255 440 K C 0.416 176.422 176.600 -0.990 0.000 0.941 440 K CA -0.420 55.477 56.287 -0.650 0.000 0.825 440 K CB 1.967 34.238 32.500 -0.382 0.000 1.119 440 K HN 0.394 nan 8.250 nan 0.000 0.430 441 T N -1.696 112.415 114.554 -0.738 0.000 3.069 441 T HA 0.147 4.515 4.350 0.030 0.000 0.252 441 T C -0.309 174.139 174.700 -0.420 0.000 1.053 441 T CA -0.641 61.099 62.100 -0.600 0.000 0.964 441 T CB -0.228 68.368 68.868 -0.453 0.000 1.005 441 T HN 0.566 nan 8.240 nan 0.000 0.532 442 W N 2.111 123.171 121.300 -0.401 0.000 2.170 442 W HA 0.608 5.285 4.660 0.028 0.000 0.336 442 W C 0.575 176.867 176.519 -0.378 0.000 1.283 442 W CA -0.702 56.442 57.345 -0.335 0.000 1.224 442 W CB 0.509 29.756 29.460 -0.355 0.000 1.132 442 W HN 0.230 nan 8.180 nan 0.000 0.571 443 A N 3.146 125.957 122.820 -0.015 0.000 2.309 443 A HA 0.244 4.582 4.320 0.030 0.000 0.298 443 A C 0.116 177.609 177.584 -0.151 0.000 1.165 443 A CA -0.658 51.320 52.037 -0.098 0.000 0.821 443 A CB 0.183 19.159 19.000 -0.039 0.000 1.102 443 A HN 0.960 nan 8.150 nan 0.000 0.500 444 W N 0.560 121.703 121.300 -0.261 0.000 2.341 444 W HA -0.170 4.503 4.660 0.023 0.000 0.283 444 W C 1.872 177.878 176.519 -0.855 0.000 1.215 444 W CA 1.245 58.272 57.345 -0.529 0.000 1.211 444 W CB 0.261 29.358 29.460 -0.606 0.000 1.131 444 W HN 0.775 nan 8.180 nan 0.000 0.552 445 E N -0.511 119.497 120.200 -0.321 0.000 2.110 445 E HA -0.166 4.202 4.350 0.030 0.000 0.193 445 E C 2.025 178.624 176.600 -0.000 0.000 0.988 445 E CA 1.690 57.978 56.400 -0.187 0.000 0.804 445 E CB -0.696 29.003 29.700 -0.003 0.000 0.745 445 E HN 0.189 nan 8.360 nan 0.000 0.458 446 T N 0.814 115.379 114.554 0.019 0.000 2.746 446 T HA -0.132 4.236 4.350 0.030 0.000 0.267 446 T C 1.810 176.547 174.700 0.061 0.000 1.039 446 T CA 1.454 63.605 62.100 0.084 0.000 1.142 446 T CB -0.136 68.822 68.868 0.150 0.000 0.866 446 T HN 0.273 nan 8.240 nan 0.000 0.444 447 A N 0.376 123.205 122.820 0.014 0.000 1.969 447 A HA 0.082 4.420 4.320 0.030 0.000 0.218 447 A C 1.983 179.768 177.584 0.335 0.000 1.169 447 A CA 0.960 53.057 52.037 0.100 0.000 0.635 447 A CB -0.872 18.206 19.000 0.130 0.000 0.810 447 A HN 0.634 nan 8.150 nan 0.000 0.445 448 F N -0.312 119.731 119.950 0.155 0.000 2.407 448 F HA -0.125 4.421 4.527 0.031 0.000 0.299 448 F C 1.900 177.767 175.800 0.113 0.000 1.097 448 F CA 0.262 58.345 58.000 0.138 0.000 1.422 448 F CB 0.008 39.099 39.000 0.152 0.000 1.067 448 F HN 0.255 nan 8.300 nan 0.000 0.539 449 D N 0.288 120.861 120.400 0.288 0.000 2.123 449 D HA -0.139 4.519 4.640 0.030 0.000 0.200 449 D C 1.984 178.373 176.300 0.148 0.000 0.976 449 D CA 0.946 55.060 54.000 0.191 0.000 0.831 449 D CB -0.362 40.529 40.800 0.150 0.000 0.974 449 D HN 0.362 nan 8.370 nan 0.000 0.469 450 Q N 0.028 119.906 119.800 0.131 0.000 2.443 450 Q HA -0.059 4.299 4.340 0.030 0.000 0.213 450 Q C 2.013 178.084 176.000 0.118 0.000 0.982 450 Q CA 0.570 56.431 55.803 0.097 0.000 0.894 450 Q CB 0.264 29.037 28.738 0.059 0.000 0.947 450 Q HN 0.410 nan 8.270 nan 0.000 0.480 451 I N -0.767 119.893 120.570 0.149 0.000 2.810 451 I HA -0.095 4.093 4.170 0.030 0.000 0.262 451 I C 2.041 178.252 176.117 0.157 0.000 1.131 451 I CA 0.199 61.588 61.300 0.149 0.000 1.453 451 I CB -0.034 38.034 38.000 0.113 0.000 1.161 451 I HN 0.044 nan 8.210 nan 0.000 0.444 452 R N 1.295 121.881 120.500 0.142 0.000 2.091 452 R HA -0.190 4.168 4.340 0.030 0.000 0.238 452 R C 2.027 178.383 176.300 0.094 0.000 1.136 452 R CA 1.584 57.754 56.100 0.116 0.000 0.959 452 R CB -0.327 30.047 30.300 0.123 0.000 0.856 452 R HN 0.438 nan 8.270 nan 0.000 0.437 453 E N 0.214 120.471 120.200 0.095 0.000 2.110 453 E HA -0.092 4.276 4.350 0.030 0.000 0.193 453 E C 0.698 177.337 176.600 0.065 0.000 0.988 453 E CA 0.790 57.233 56.400 0.072 0.000 0.804 453 E CB 0.118 29.860 29.700 0.069 0.000 0.745 453 E HN 0.041 nan 8.360 nan 0.000 0.458 460 A N 0.067 123.026 122.820 0.231 0.000 2.308 460 A HA 0.877 5.215 4.320 0.030 0.000 0.217 460 A C 0.550 178.120 177.584 -0.023 0.000 1.216 460 A CA 0.735 52.825 52.037 0.087 0.000 0.864 460 A CB -0.568 18.460 19.000 0.046 0.000 0.902 460 A HN 1.981 nan 8.150 nan 0.000 0.499 461 A N -1.923 120.806 122.820 -0.152 0.000 2.467 461 A HA 0.533 4.871 4.320 0.030 0.000 0.301 461 A C -0.907 176.371 177.584 -0.511 0.000 1.126 461 A CA -0.383 51.504 52.037 -0.251 0.000 0.632 461 A CB -0.133 18.790 19.000 -0.129 0.000 1.331 461 A HN 0.429 nan 8.150 nan 0.000 0.482 462 V N 2.711 122.404 119.914 -0.369 0.000 2.540 462 V HA 0.226 4.364 4.120 0.030 0.000 0.297 462 V C -1.606 174.321 176.094 -0.279 0.000 1.024 462 V CA -0.045 62.029 62.300 -0.375 0.000 1.105 462 V CB 0.685 32.406 31.823 -0.169 0.000 0.938 462 V HN 0.650 nan 8.190 nan 0.000 0.482 463 P HA 0.160 nan 4.420 nan 0.000 0.235 463 P C -0.293 177.006 177.300 -0.002 0.000 1.765 463 P CA 0.107 63.163 63.100 -0.072 0.000 1.034 463 P CB -0.310 31.432 31.700 0.071 0.000 1.984 464 I N -1.448 119.119 120.570 -0.004 0.000 2.498 464 I HA 0.580 4.768 4.170 0.030 0.000 0.301 464 I C -0.067 176.075 176.117 0.043 0.000 0.984 464 I CA -1.626 59.700 61.300 0.045 0.000 1.204 464 I CB 1.837 39.873 38.000 0.060 0.000 1.362 464 I HN -0.168 nan 8.210 nan 0.000 0.471 465 R N 2.091 122.643 120.500 0.086 0.000 2.457 465 R HA 0.435 4.793 4.340 0.030 0.000 0.284 465 R C 0.586 176.820 176.300 -0.108 0.000 1.024 465 R CA 0.148 56.234 56.100 -0.024 0.000 1.025 465 R CB 1.418 31.725 30.300 0.011 0.000 1.063 465 R HN 0.871 nan 8.270 nan 0.000 0.493 466 T N -1.954 112.357 114.554 -0.404 0.000 3.111 466 T HA 0.378 4.746 4.350 0.030 0.000 0.284 466 T C 0.326 174.355 174.700 -1.119 0.000 0.983 466 T CA -0.178 61.597 62.100 -0.541 0.000 0.900 466 T CB 0.695 69.439 68.868 -0.206 0.000 1.132 466 T HN 0.616 nan 8.240 nan 0.000 0.531 467 G N 0.029 108.078 108.800 -1.252 0.000 2.702 467 G HA2 0.526 4.505 3.960 0.030 0.000 0.296 467 G HA3 0.526 4.505 3.960 0.030 0.000 0.296 467 G C -2.335 172.168 174.900 -0.661 0.000 1.463 467 G CA -0.595 43.925 45.100 -0.966 0.000 0.890 467 G HN 0.413 nan 8.290 nan 0.000 0.534 468 H N 2.646 121.455 119.070 -0.435 0.000 3.129 468 H HA 0.289 4.864 4.556 0.031 0.000 0.342 468 H C -1.974 173.366 175.328 0.019 0.000 1.092 468 H CA -0.965 55.012 56.048 -0.119 0.000 1.310 468 H CB 3.238 33.052 29.762 0.087 0.000 1.932 468 H HN 0.374 nan 8.280 nan 0.000 0.507 469 P HA -0.189 nan 4.420 nan 0.000 0.216 469 P C 0.300 177.640 177.300 0.067 0.000 1.157 469 P CA 1.351 64.381 63.100 -0.117 0.000 0.880 469 P CB 0.483 32.051 31.700 -0.220 0.000 0.791 470 Q N -0.760 119.178 119.800 0.230 0.000 2.286 470 Q HA 0.217 4.576 4.340 0.030 0.000 0.281 470 Q C -0.144 176.066 176.000 0.351 0.000 0.897 470 Q CA -0.233 55.738 55.803 0.280 0.000 1.023 470 Q CB -1.109 27.777 28.738 0.247 0.000 1.151 470 Q HN 0.240 nan 8.270 nan 0.000 0.445 471 N N 1.657 120.608 118.700 0.417 0.000 2.700 471 N HA -0.251 4.508 4.740 0.030 0.000 0.265 471 N C -0.895 174.749 175.510 0.222 0.000 0.975 471 N CA 0.187 53.480 53.050 0.404 0.000 0.800 471 N CB -0.012 38.616 38.487 0.235 0.000 0.908 471 N HN 0.423 nan 8.380 nan 0.000 0.551 472 E N 1.435 121.715 120.200 0.133 0.000 2.063 472 E HA 0.213 4.581 4.350 0.030 0.000 0.265 472 E C -0.576 175.932 176.600 -0.154 0.000 0.919 472 E CA -0.604 55.691 56.400 -0.176 0.000 0.756 472 E CB 0.967 30.419 29.700 -0.412 0.000 1.120 472 E HN 0.077 nan 8.360 nan 0.000 0.414 473 V N 4.976 124.682 119.914 -0.347 0.000 2.546 473 V HA 0.314 4.452 4.120 0.030 0.000 0.284 473 V C 0.669 176.627 176.094 -0.228 0.000 1.050 473 V CA -0.205 61.819 62.300 -0.459 0.000 0.981 473 V CB 1.317 32.685 31.823 -0.759 0.000 0.990 473 V HN 0.672 nan 8.190 nan 0.000 0.474 474 R N 2.133 122.556 120.500 -0.129 0.000 2.867 474 R HA 0.454 4.812 4.340 0.030 0.000 0.227 474 R C 0.876 177.042 176.300 -0.224 0.000 1.372 474 R CA -0.921 55.092 56.100 -0.145 0.000 1.083 474 R CB 0.438 30.699 30.300 -0.065 0.000 1.596 474 R HN 0.537 nan 8.270 nan 0.000 0.522 475 L N 1.345 122.387 121.223 -0.302 0.000 2.023 475 L HA -0.032 4.327 4.340 0.030 0.000 0.205 475 L C 2.065 178.788 176.870 -0.245 0.000 1.073 475 L CA 1.585 56.160 54.840 -0.442 0.000 0.745 475 L CB -0.424 41.248 42.059 -0.643 0.000 0.900 475 L HN 0.733 nan 8.230 nan 0.000 0.435 476 I N -2.996 117.506 120.570 -0.113 0.000 2.530 476 I HA -0.204 3.984 4.170 0.030 0.000 0.257 476 I C 1.250 177.383 176.117 0.027 0.000 1.179 476 I CA 1.337 62.642 61.300 0.007 0.000 1.440 476 I CB -0.948 37.088 38.000 0.060 0.000 1.087 476 I HN 0.187 nan 8.210 nan 0.000 0.440 477 D N 1.167 121.574 120.400 0.011 0.000 2.348 477 D HA -0.019 4.639 4.640 0.030 0.000 0.216 477 D C 2.109 178.436 176.300 0.045 0.000 0.970 477 D CA 0.871 54.926 54.000 0.092 0.000 0.889 477 D CB 0.353 41.256 40.800 0.171 0.000 0.912 477 D HN 0.407 nan 8.370 nan 0.000 0.524 478 V N -0.252 119.634 119.914 -0.047 0.000 2.911 478 V HA 0.042 4.180 4.120 0.030 0.000 0.237 478 V C 2.293 178.376 176.094 -0.018 0.000 1.156 478 V CA 0.153 62.415 62.300 -0.064 0.000 1.180 478 V CB 0.069 31.801 31.823 -0.151 0.000 0.932 478 V HN 0.081 nan 8.190 nan 0.000 0.483 479 L N -0.092 121.108 121.223 -0.039 0.000 2.217 479 L HA 0.049 4.407 4.340 0.030 0.000 0.211 479 L C 1.871 178.887 176.870 0.243 0.000 1.107 479 L CA 1.303 56.166 54.840 0.039 0.000 0.783 479 L CB -0.259 41.696 42.059 -0.174 0.000 0.919 479 L HN 0.303 nan 8.230 nan 0.000 0.442 480 L N -0.518 120.820 121.223 0.192 0.000 2.667 480 L HA 0.163 4.521 4.340 0.030 0.000 0.232 480 L C 1.051 177.992 176.870 0.118 0.000 1.138 480 L CA -0.164 54.787 54.840 0.184 0.000 0.921 480 L CB 0.031 42.189 42.059 0.165 0.000 1.180 480 L HN 0.137 nan 8.230 nan 0.000 0.487 481 R N 1.674 122.239 120.500 0.108 0.000 2.347 481 R HA 0.119 4.477 4.340 0.030 0.000 0.304 481 R C -1.490 174.865 176.300 0.091 0.000 1.072 481 R CA -1.340 54.817 56.100 0.095 0.000 0.980 481 R CB 1.006 31.368 30.300 0.102 0.000 0.986 481 R HN -0.143 nan 8.270 nan 0.000 0.448 482 P HA -0.239 nan 4.420 nan 0.000 0.218 482 P C 0.252 177.598 177.300 0.077 0.000 1.150 482 P CA 1.383 64.525 63.100 0.071 0.000 0.841 482 P CB 0.169 31.901 31.700 0.053 0.000 0.784 483 E N -1.070 119.176 120.200 0.077 0.000 2.479 483 E HA 0.030 4.398 4.350 0.030 0.000 0.193 483 E C 0.078 176.732 176.600 0.091 0.000 1.049 483 E CA 0.287 56.734 56.400 0.079 0.000 0.870 483 E CB -0.243 29.498 29.700 0.070 0.000 0.944 483 E HN 0.060 nan 8.360 nan 0.000 0.492 484 V N 2.632 122.604 119.914 0.096 0.000 2.432 484 V HA 0.113 4.251 4.120 0.030 0.000 0.271 484 V C 0.073 176.248 176.094 0.135 0.000 1.046 484 V CA -0.773 61.591 62.300 0.107 0.000 0.945 484 V CB 0.995 32.871 31.823 0.088 0.000 0.992 484 V HN 0.158 nan 8.190 nan 0.000 0.471 485 L N 7.492 128.813 121.223 0.163 0.000 2.325 485 L HA 0.426 4.784 4.340 0.030 0.000 0.284 485 L C -0.178 176.815 176.870 0.204 0.000 1.089 485 L CA 0.679 55.618 54.840 0.167 0.000 0.836 485 L CB 0.898 43.099 42.059 0.236 0.000 1.184 485 L HN 0.478 nan 8.230 nan 0.000 0.444 486 V N 6.011 125.983 119.914 0.097 0.000 2.555 486 V HA 0.515 4.653 4.120 0.030 0.000 0.302 486 V C -0.618 175.501 176.094 0.042 0.000 1.038 486 V CA -0.481 61.926 62.300 0.179 0.000 0.887 486 V CB 1.542 33.501 31.823 0.227 0.000 0.991 486 V HN 0.473 nan 8.190 nan 0.000 0.434 487 F N 1.825 121.936 119.950 0.269 0.000 2.518 487 F HA 0.538 5.079 4.527 0.022 0.000 0.323 487 F C 0.400 176.294 175.800 0.156 0.000 1.129 487 F CA -0.950 57.240 58.000 0.316 0.000 0.920 487 F CB 1.502 40.828 39.000 0.544 0.000 1.160 487 F HN 0.353 nan 8.300 nan 0.000 0.440 488 E N 3.338 123.685 120.200 0.245 0.000 2.354 488 E HA 0.253 4.621 4.350 0.030 0.000 0.269 488 E C -2.368 174.389 176.600 0.261 0.000 1.036 488 E CA -1.953 54.590 56.400 0.237 0.000 0.876 488 E CB 0.514 30.273 29.700 0.098 0.000 1.009 488 E HN 0.218 nan 8.360 nan 0.000 0.416 489 P HA -0.089 nan 4.420 nan 0.000 0.269 489 P C 0.948 178.145 177.300 -0.171 0.000 1.211 489 P CA -0.103 62.982 63.100 -0.025 0.000 0.781 489 P CB 0.489 32.119 31.700 -0.118 0.000 0.877 490 L N 2.563 123.614 121.223 -0.287 0.000 2.191 490 L HA -0.101 4.257 4.340 0.030 0.000 0.212 490 L C 1.784 178.351 176.870 -0.505 0.000 1.103 490 L CA 1.435 55.767 54.840 -0.847 0.000 0.769 490 L CB -1.084 40.550 42.059 -0.707 0.000 0.908 490 L HN 0.563 nan 8.230 nan 0.000 0.438 491 W N -1.265 119.934 121.300 -0.167 0.000 2.467 491 W HA -0.094 4.569 4.660 0.006 0.000 0.275 491 W C 1.942 178.384 176.519 -0.129 0.000 1.239 491 W CA 1.052 58.319 57.345 -0.132 0.000 1.266 491 W CB -1.843 27.636 29.460 0.033 0.000 1.112 491 W HN 0.406 nan 8.180 nan 0.000 0.576 492 T N 0.749 114.764 114.554 -0.899 0.000 2.897 492 T HA -0.242 4.126 4.350 0.030 0.000 0.271 492 T C 1.851 176.391 174.700 -0.266 0.000 1.084 492 T CA 1.904 63.557 62.100 -0.744 0.000 1.123 492 T CB -1.113 67.298 68.868 -0.761 0.000 0.865 492 T HN 0.205 nan 8.240 nan 0.000 0.496 493 V N -1.061 118.731 119.914 -0.204 0.000 3.383 493 V HA 0.121 4.259 4.120 0.030 0.000 0.272 493 V C 1.994 178.115 176.094 0.044 0.000 1.181 493 V CA 0.580 62.848 62.300 -0.053 0.000 1.171 493 V CB -1.078 30.724 31.823 -0.035 0.000 0.800 493 V HN 0.425 nan 8.190 nan 0.000 0.515 494 I N 1.127 121.696 120.570 -0.002 0.000 2.429 494 I HA 0.116 4.304 4.170 0.030 0.000 0.247 494 I C 0.084 176.328 176.117 0.211 0.000 1.099 494 I CA 0.909 62.216 61.300 0.012 0.000 1.422 494 I CB -1.981 35.859 38.000 -0.265 0.000 1.112 494 I HN 0.338 nan 8.210 nan 0.000 0.430 495 P HA -0.012 nan 4.420 nan 0.000 0.237 495 P C 1.304 178.654 177.300 0.084 0.000 1.178 495 P CA 1.090 64.335 63.100 0.241 0.000 0.766 495 P CB -0.020 31.812 31.700 0.220 0.000 0.876 496 G N -0.483 108.321 108.800 0.007 0.000 2.939 496 G HA2 -0.065 3.913 3.960 0.030 0.000 0.210 496 G HA3 -0.065 3.913 3.960 0.030 0.000 0.210 496 G C 0.682 175.600 174.900 0.029 0.000 1.160 496 G CA -0.068 44.997 45.100 -0.059 0.000 0.770 496 G HN 0.264 nan 8.290 nan 0.000 0.543 497 N N 0.538 119.322 118.700 0.140 0.000 2.438 497 N HA 0.177 4.935 4.740 0.030 0.000 0.282 497 N C 0.801 176.331 175.510 0.033 0.000 1.037 497 N CA -0.364 52.751 53.050 0.107 0.000 0.942 497 N CB 1.385 40.032 38.487 0.267 0.000 1.136 497 N HN -0.058 nan 8.380 nan 0.000 0.481 498 K N 2.106 122.473 120.400 -0.054 0.000 2.360 498 K HA -0.044 4.294 4.320 0.030 0.000 0.201 498 K C 1.399 177.893 176.600 -0.176 0.000 1.046 498 K CA 0.917 57.154 56.287 -0.083 0.000 0.945 498 K CB 0.039 32.473 32.500 -0.110 0.000 0.750 498 K HN 0.611 nan 8.250 nan 0.000 0.464 499 A N 0.869 123.496 122.820 -0.321 0.000 2.248 499 A HA -0.099 4.239 4.320 0.030 0.000 0.210 499 A C 1.839 179.223 177.584 -0.334 0.000 1.174 499 A CA 0.752 52.554 52.037 -0.391 0.000 0.750 499 A CB -0.315 18.234 19.000 -0.752 0.000 0.780 499 A HN 0.228 nan 8.150 nan 0.000 0.478 500 I N -0.864 119.622 120.570 -0.140 0.000 2.716 500 I HA -0.026 4.162 4.170 0.030 0.000 0.259 500 I C 1.960 178.119 176.117 0.070 0.000 1.172 500 I CA 0.673 62.073 61.300 0.168 0.000 1.478 500 I CB -0.187 38.019 38.000 0.344 0.000 1.104 500 I HN 0.328 nan 8.210 nan 0.000 0.439 501 L N 1.042 122.252 121.223 -0.023 0.000 2.012 501 L HA -0.139 4.219 4.340 0.030 0.000 0.210 501 L C -0.344 176.491 176.870 -0.059 0.000 1.073 501 L CA 1.524 56.332 54.840 -0.053 0.000 0.748 501 L CB -1.944 40.059 42.059 -0.094 0.000 0.891 501 L HN 0.195 nan 8.230 nan 0.000 0.431 502 P HA -0.145 nan 4.420 nan 0.000 0.220 502 P C 1.641 179.010 177.300 0.114 0.000 1.148 502 P CA 1.085 64.109 63.100 -0.127 0.000 0.803 502 P CB 0.066 31.443 31.700 -0.539 0.000 0.782 503 I N -1.439 119.210 120.570 0.131 0.000 2.353 503 I HA -0.118 4.070 4.170 0.030 0.000 0.248 503 I C 2.265 178.475 176.117 0.155 0.000 1.119 503 I CA 1.117 62.517 61.300 0.167 0.000 1.417 503 I CB -1.468 36.650 38.000 0.197 0.000 1.078 503 I HN -0.002 nan 8.210 nan 0.000 0.421 504 L N -0.653 120.652 121.223 0.136 0.000 1.994 504 L HA -0.247 4.111 4.340 0.030 0.000 0.208 504 L C 2.663 179.696 176.870 0.272 0.000 1.071 504 L CA 1.659 56.595 54.840 0.161 0.000 0.745 504 L CB -0.581 41.449 42.059 -0.048 0.000 0.892 504 L HN 0.403 nan 8.230 nan 0.000 0.431 505 W N 0.294 121.599 121.300 0.009 0.000 2.318 505 W HA -0.329 4.346 4.660 0.024 0.000 0.313 505 W C 2.800 179.327 176.519 0.013 0.000 1.221 505 W CA 1.894 59.235 57.345 -0.005 0.000 1.266 505 W CB -0.153 29.270 29.460 -0.063 0.000 1.150 505 W HN 0.201 nan 8.180 nan 0.000 0.496 506 S N 0.611 116.385 115.700 0.123 0.000 2.365 506 S HA -0.230 4.258 4.470 0.030 0.000 0.225 506 S C 1.874 176.388 174.600 -0.144 0.000 1.039 506 S CA 1.916 60.110 58.200 -0.011 0.000 1.033 506 S CB -0.550 62.691 63.200 0.069 0.000 0.887 506 S HN 0.311 nan 8.310 nan 0.000 0.447 507 L N -0.887 120.237 121.223 -0.165 0.000 2.240 507 L HA 0.174 4.532 4.340 0.030 0.000 0.211 507 L C 0.076 176.381 176.870 -0.941 0.000 1.106 507 L CA 0.631 55.145 54.840 -0.543 0.000 0.793 507 L CB -0.100 41.590 42.059 -0.615 0.000 0.927 507 L HN 0.278 nan 8.230 nan 0.000 0.446 508 F N -1.109 118.723 119.950 -0.197 0.000 2.593 508 F HA 0.368 4.923 4.527 0.047 0.000 0.336 508 F C -2.374 173.204 175.800 -0.371 0.000 1.491 508 F CA -2.224 55.651 58.000 -0.209 0.000 1.114 508 F CB -0.121 38.776 39.000 -0.171 0.000 1.468 508 F HN -0.261 nan 8.300 nan 0.000 0.579 509 P HA -0.061 nan 4.420 nan 0.000 0.264 509 P C -0.127 176.764 177.300 -0.681 0.000 1.179 509 P CA 0.861 63.399 63.100 -0.936 0.000 0.763 509 P CB 0.160 31.576 31.700 -0.474 0.000 0.806 510 H N -1.894 116.467 119.070 -1.182 0.000 2.845 510 H HA -0.265 4.309 4.556 0.031 0.000 0.296 510 H C 0.752 175.989 175.328 -0.151 0.000 1.116 510 H CA 0.762 56.597 56.048 -0.355 0.000 1.162 510 H CB -2.331 27.338 29.762 -0.155 0.000 1.338 510 H HN 0.560 nan 8.280 nan 0.000 0.370 511 H N 1.795 120.776 119.070 -0.149 0.000 3.001 511 H HA 0.006 4.582 4.556 0.034 0.000 0.334 511 H C 1.670 176.963 175.328 -0.059 0.000 1.034 511 H CA 0.983 56.983 56.048 -0.081 0.000 1.420 511 H CB 0.614 30.335 29.762 -0.068 0.000 1.405 511 H HN 0.680 nan 8.280 nan 0.000 0.593 512 R N 3.518 123.673 120.500 -0.575 0.000 2.139 512 R HA -0.199 4.159 4.340 0.030 0.000 0.243 512 R C 0.447 176.659 176.300 -0.147 0.000 1.145 512 R CA 1.849 57.720 56.100 -0.382 0.000 0.976 512 R CB -0.366 29.574 30.300 -0.600 0.000 0.866 512 R HN 0.480 nan 8.270 nan 0.000 0.449 513 Y N 0.752 121.167 120.300 0.191 0.000 2.462 513 Y HA 0.371 4.951 4.550 0.051 0.000 0.261 513 Y C 0.952 176.882 175.900 0.051 0.000 1.146 513 Y CA -0.555 57.615 58.100 0.117 0.000 1.283 513 Y CB 0.264 38.822 38.460 0.163 0.000 1.090 513 Y HN -0.070 nan 8.280 nan 0.000 0.526 514 L N 0.362 121.750 121.223 0.276 0.000 2.400 514 L HA 0.462 4.820 4.340 0.030 0.000 0.264 514 L C -0.485 176.436 176.870 0.085 0.000 1.061 514 L CA -0.805 54.158 54.840 0.205 0.000 0.799 514 L CB 1.382 43.678 42.059 0.394 0.000 1.240 514 L HN -0.101 nan 8.230 nan 0.000 0.461 515 L N 0.369 121.538 121.223 -0.090 0.000 2.362 515 L HA 0.339 4.697 4.340 0.030 0.000 0.271 515 L C -0.409 175.985 176.870 -0.794 0.000 1.002 515 L CA -0.806 53.835 54.840 -0.331 0.000 0.818 515 L CB 1.991 43.921 42.059 -0.215 0.000 1.298 515 L HN 0.488 nan 8.230 nan 0.000 0.420 516 D N 1.752 121.424 120.400 -1.213 0.000 2.472 516 D HA 0.079 4.737 4.640 0.030 0.000 0.248 516 D C -0.792 174.984 176.300 -0.873 0.000 1.174 516 D CA 0.589 53.531 54.000 -1.762 0.000 0.883 516 D CB 0.825 40.987 40.800 -1.065 0.000 1.149 516 D HN 0.427 nan 8.370 nan 0.000 0.488 517 T N 3.903 117.986 114.554 -0.786 0.000 2.876 517 T HA 0.409 4.778 4.350 0.030 0.000 0.289 517 T C -0.748 173.749 174.700 -0.338 0.000 1.014 517 T CA -0.842 61.016 62.100 -0.402 0.000 0.986 517 T CB 2.078 70.767 68.868 -0.299 0.000 1.021 517 T HN 0.348 nan 8.240 nan 0.000 0.458 518 D N -0.080 120.159 120.400 -0.268 0.000 2.596 518 D HA 0.366 5.024 4.640 0.030 0.000 0.262 518 D C -0.543 175.641 176.300 -0.193 0.000 1.210 518 D CA -0.752 53.121 54.000 -0.212 0.000 0.873 518 D CB 1.587 42.330 40.800 -0.094 0.000 1.408 518 D HN 0.406 nan 8.370 nan 0.000 0.441 519 F N 0.263 120.258 119.950 0.075 0.000 2.732 519 F HA 0.150 4.695 4.527 0.031 0.000 0.303 519 F C 1.219 177.113 175.800 0.157 0.000 1.110 519 F CA 0.156 58.233 58.000 0.129 0.000 1.355 519 F CB 0.424 39.455 39.000 0.053 0.000 1.081 519 F HN 0.190 nan 8.300 nan 0.000 0.565 520 T N -3.739 110.880 114.554 0.109 0.000 2.787 520 T HA 0.607 4.976 4.350 0.030 0.000 0.297 520 T C -0.939 173.410 174.700 -0.585 0.000 1.221 520 T CA -0.883 61.059 62.100 -0.264 0.000 1.006 520 T CB 1.739 70.532 68.868 -0.125 0.000 1.328 520 T HN -0.348 nan 8.240 nan 0.000 0.509 521 V N 3.375 122.836 119.914 -0.755 0.000 2.318 521 V HA 0.413 4.551 4.120 0.030 0.000 0.271 521 V C 0.162 176.040 176.094 -0.361 0.000 1.030 521 V CA -0.812 61.063 62.300 -0.708 0.000 0.844 521 V CB -0.187 31.114 31.823 -0.869 0.000 1.015 521 V HN 1.003 nan 8.190 nan 0.000 0.460 522 N N 2.349 120.902 118.700 -0.245 0.000 2.448 522 N HA 0.225 4.983 4.740 0.030 0.000 0.274 522 N C 0.632 176.086 175.510 -0.093 0.000 1.239 522 N CA -0.719 52.254 53.050 -0.128 0.000 0.982 522 N CB 0.638 39.082 38.487 -0.071 0.000 1.199 522 N HN 0.340 nan 8.380 nan 0.000 0.576 523 D N -1.018 119.356 120.400 -0.042 0.000 2.123 523 D HA -0.149 4.510 4.640 0.030 0.000 0.196 523 D C 1.277 177.579 176.300 0.002 0.000 0.992 523 D CA 1.084 55.075 54.000 -0.014 0.000 0.833 523 D CB 0.066 40.868 40.800 0.003 0.000 0.954 523 D HN 0.539 nan 8.370 nan 0.000 0.455 524 E N -0.199 120.005 120.200 0.008 0.000 2.265 524 E HA -0.093 4.275 4.350 0.030 0.000 0.196 524 E C 2.042 178.651 176.600 0.016 0.000 0.996 524 E CA 0.388 56.803 56.400 0.026 0.000 0.832 524 E CB -0.007 29.722 29.700 0.048 0.000 0.756 524 E HN 0.403 nan 8.360 nan 0.000 0.491 525 L N -0.467 120.746 121.223 -0.018 0.000 2.270 525 L HA -0.057 4.302 4.340 0.030 0.000 0.210 525 L C 2.267 179.209 176.870 0.119 0.000 1.104 525 L CA 0.150 54.997 54.840 0.011 0.000 0.804 525 L CB 0.067 42.057 42.059 -0.114 0.000 0.937 525 L HN -0.040 nan 8.230 nan 0.000 0.450 526 V N -0.432 119.524 119.914 0.069 0.000 2.427 526 V HA -0.200 3.938 4.120 0.030 0.000 0.248 526 V C 2.491 178.658 176.094 0.121 0.000 1.051 526 V CA 1.337 63.714 62.300 0.128 0.000 1.048 526 V CB -0.505 31.356 31.823 0.064 0.000 0.666 526 V HN 0.354 nan 8.190 nan 0.000 0.456 527 K N 0.889 121.337 120.400 0.081 0.000 2.031 527 K HA -0.105 4.233 4.320 0.030 0.000 0.205 527 K C 2.392 179.031 176.600 0.066 0.000 1.049 527 K CA 1.998 58.323 56.287 0.062 0.000 0.939 527 K CB -0.994 31.527 32.500 0.035 0.000 0.717 527 K HN 0.690 nan 8.250 nan 0.000 0.438 528 T N -1.935 112.664 114.554 0.074 0.000 2.904 528 T HA 0.149 4.517 4.350 0.030 0.000 0.267 528 T C 1.035 175.815 174.700 0.134 0.000 1.059 528 T CA 0.724 62.868 62.100 0.074 0.000 1.137 528 T CB -0.174 68.745 68.868 0.085 0.000 0.879 528 T HN 0.389 nan 8.240 nan 0.000 0.467 529 G N 0.826 109.733 108.800 0.179 0.000 2.619 529 G HA2 0.282 4.260 3.960 0.030 0.000 0.686 529 G HA3 0.282 4.260 3.960 0.030 0.000 0.686 529 G C -0.905 174.125 174.900 0.217 0.000 1.256 529 G CA -0.562 44.624 45.100 0.143 0.000 0.826 529 G HN 1.337 nan 8.290 nan 0.000 0.619 530 Y N -2.628 117.701 120.300 0.050 0.000 2.624 530 Y HA 0.852 5.419 4.550 0.029 0.000 0.334 530 Y C -0.109 175.814 175.900 0.037 0.000 1.155 530 Y CA -1.084 57.047 58.100 0.051 0.000 1.046 530 Y CB 0.909 39.414 38.460 0.075 0.000 1.316 530 Y HN 1.900 nan 8.280 nan 0.000 0.457 531 A N 1.771 124.684 122.820 0.155 0.000 2.292 531 A HA 0.719 5.058 4.320 0.030 0.000 0.319 531 A C -1.210 176.427 177.584 0.088 0.000 1.206 531 A CA -0.821 51.235 52.037 0.031 0.000 0.835 531 A CB 0.832 19.806 19.000 -0.043 0.000 1.164 531 A HN 0.679 nan 8.150 nan 0.000 0.505 532 V N 3.355 123.286 119.914 0.027 0.000 2.465 532 V HA 0.408 4.546 4.120 0.030 0.000 0.279 532 V C 0.048 176.042 176.094 -0.166 0.000 1.045 532 V CA -0.151 62.079 62.300 -0.117 0.000 0.938 532 V CB 1.063 32.872 31.823 -0.023 0.000 0.986 532 V HN 0.886 nan 8.190 nan 0.000 0.467 533 K N 6.132 126.383 120.400 -0.248 0.000 2.513 533 K HA 0.439 4.777 4.320 0.030 0.000 0.251 533 K C -2.940 173.552 176.600 -0.180 0.000 0.939 533 K CA -1.722 54.457 56.287 -0.181 0.000 0.793 533 K CB 2.953 35.353 32.500 -0.167 0.000 1.241 533 K HN 0.336 nan 8.250 nan 0.000 0.431 534 P HA 0.055 nan 4.420 nan 0.000 0.271 534 P C 0.833 178.059 177.300 -0.123 0.000 1.216 534 P CA -0.212 62.834 63.100 -0.090 0.000 0.776 534 P CB 0.533 32.215 31.700 -0.030 0.000 0.881 535 I N 0.540 121.055 120.570 -0.091 0.000 2.756 535 I HA -0.015 4.173 4.170 0.030 0.000 0.262 535 I C 1.154 177.212 176.117 -0.098 0.000 1.225 535 I CA 1.290 62.530 61.300 -0.100 0.000 1.472 535 I CB -0.336 37.615 38.000 -0.082 0.000 1.094 535 I HN 0.173 nan 8.210 nan 0.000 0.454 536 A N 0.966 123.715 122.820 -0.118 0.000 2.616 536 A HA 0.666 5.004 4.320 0.030 0.000 0.294 536 A C 0.856 178.178 177.584 -0.436 0.000 1.091 536 A CA 0.015 51.958 52.037 -0.156 0.000 0.971 536 A CB -0.538 18.447 19.000 -0.025 0.000 1.222 536 A HN 0.453 nan 8.150 nan 0.000 0.521 537 G N 0.605 109.066 108.800 -0.565 0.000 2.509 537 G HA2 0.660 4.638 3.960 0.030 0.000 0.269 537 G HA3 0.660 4.638 3.960 0.030 0.000 0.269 537 G C -0.009 174.476 174.900 -0.692 0.000 1.416 537 G CA -0.240 44.184 45.100 -1.127 0.000 1.052 537 G HN 0.960 nan 8.290 nan 0.000 0.542 538 R N -4.606 115.594 120.500 -0.499 0.000 3.012 538 R HA 0.283 4.641 4.340 0.030 0.000 0.287 538 R C -0.501 175.773 176.300 -0.043 0.000 0.990 538 R CA -0.394 55.584 56.100 -0.203 0.000 0.839 538 R CB -0.327 29.870 30.300 -0.172 0.000 1.317 538 R HN 1.071 nan 8.270 nan 0.000 0.518 539 C N 0.307 119.587 119.300 -0.033 0.000 4.331 539 C HA -0.066 4.413 4.460 0.030 0.000 0.293 539 C C 1.436 176.428 174.990 0.003 0.000 1.436 539 C CA 1.499 60.516 59.018 -0.001 0.000 1.993 539 C CB -2.288 25.475 27.740 0.038 0.000 1.266 539 C HN 1.837 nan 8.230 nan 0.000 0.795 540 G N 0.688 109.471 108.800 -0.029 0.000 2.338 540 G HA2 -0.151 3.827 3.960 0.030 0.000 0.296 540 G HA3 -0.151 3.827 3.960 0.030 0.000 0.296 540 G C -0.073 174.832 174.900 0.008 0.000 1.040 540 G CA 0.550 45.626 45.100 -0.040 0.000 1.004 540 G HN 1.081 nan 8.290 nan 0.000 0.509 541 S N 0.008 115.756 115.700 0.081 0.000 2.525 541 S HA 0.515 5.004 4.470 0.030 0.000 0.278 541 S C 0.719 175.401 174.600 0.137 0.000 1.234 541 S CA -0.078 58.221 58.200 0.164 0.000 1.058 541 S CB 0.935 64.394 63.200 0.433 0.000 0.983 541 S HN 0.766 nan 8.310 nan 0.000 0.495 542 N N 0.660 119.408 118.700 0.080 0.000 2.727 542 N HA -0.167 4.591 4.740 0.030 0.000 0.251 542 N C -1.207 174.307 175.510 0.007 0.000 1.040 542 N CA 0.480 53.560 53.050 0.051 0.000 0.712 542 N CB -1.443 37.103 38.487 0.100 0.000 0.912 542 N HN 0.569 nan 8.380 nan 0.000 0.545 543 I N 0.040 120.597 120.570 -0.022 0.000 2.441 543 I HA 0.329 4.517 4.170 0.030 0.000 0.295 543 I C -0.394 175.687 176.117 -0.061 0.000 0.994 543 I CA -0.641 60.623 61.300 -0.059 0.000 1.144 543 I CB 1.413 39.359 38.000 -0.089 0.000 1.314 543 I HN 0.007 nan 8.210 nan 0.000 0.445 544 D N 7.103 127.465 120.400 -0.064 0.000 2.492 544 D HA 0.498 5.156 4.640 0.030 0.000 0.248 544 D C -0.765 175.471 176.300 -0.107 0.000 1.101 544 D CA -0.175 53.785 54.000 -0.066 0.000 0.840 544 D CB 1.943 42.729 40.800 -0.023 0.000 1.209 544 D HN 0.217 nan 8.370 nan 0.000 0.524 545 L N 1.975 123.118 121.223 -0.134 0.000 2.287 545 L HA 0.612 4.970 4.340 0.030 0.000 0.287 545 L C -0.600 176.139 176.870 -0.217 0.000 1.022 545 L CA -0.951 53.788 54.840 -0.167 0.000 0.814 545 L CB 1.423 43.398 42.059 -0.140 0.000 1.217 545 L HN 0.023 nan 8.230 nan 0.000 0.420 546 V N 1.652 121.357 119.914 -0.347 0.000 2.604 546 V HA 0.442 4.580 4.120 0.030 0.000 0.305 546 V C 0.225 176.151 176.094 -0.279 0.000 1.043 546 V CA -0.613 61.462 62.300 -0.374 0.000 0.888 546 V CB 2.022 33.450 31.823 -0.659 0.000 0.995 546 V HN 0.899 nan 8.190 nan 0.000 0.429 547 S N 2.765 118.354 115.700 -0.184 0.000 2.681 547 S HA 0.282 4.770 4.470 0.030 0.000 0.270 547 S C 1.242 175.743 174.600 -0.164 0.000 1.209 547 S CA -0.212 57.889 58.200 -0.167 0.000 0.988 547 S CB 0.496 63.558 63.200 -0.231 0.000 1.006 547 S HN 0.881 nan 8.310 nan 0.000 0.558 548 H N -0.108 118.871 119.070 -0.153 0.000 2.456 548 H HA -0.068 4.506 4.556 0.030 0.000 0.296 548 H C 0.871 176.099 175.328 -0.166 0.000 1.079 548 H CA 1.477 57.423 56.048 -0.170 0.000 1.322 548 H CB -0.961 28.652 29.762 -0.247 0.000 1.388 548 H HN 0.719 nan 8.280 nan 0.000 0.538 549 H N 1.526 120.409 119.070 -0.311 0.000 2.556 549 H HA 0.043 4.618 4.556 0.031 0.000 0.273 549 H C 0.306 175.575 175.328 -0.097 0.000 1.030 549 H CA 0.497 56.440 56.048 -0.176 0.000 1.156 549 H CB -0.135 29.481 29.762 -0.243 0.000 1.326 549 H HN 0.518 nan 8.280 nan 0.000 0.609 550 E N 0.211 120.408 120.200 -0.005 0.000 2.883 550 E HA -0.204 4.164 4.350 0.030 0.000 0.271 550 E C -0.469 176.115 176.600 -0.026 0.000 1.049 550 E CA 0.515 56.916 56.400 0.000 0.000 0.817 550 E CB -0.990 28.733 29.700 0.039 0.000 1.407 550 E HN 0.663 nan 8.360 nan 0.000 0.434 551 E N 0.451 120.624 120.200 -0.046 0.000 2.175 551 E HA 0.288 4.656 4.350 0.030 0.000 0.278 551 E C -0.123 176.425 176.600 -0.086 0.000 0.969 551 E CA -0.506 55.862 56.400 -0.052 0.000 0.796 551 E CB 1.899 31.575 29.700 -0.040 0.000 1.104 551 E HN -0.118 nan 8.360 nan 0.000 0.395 552 V N 5.843 125.712 119.914 -0.076 0.000 2.400 552 V HA -0.079 4.060 4.120 0.030 0.000 0.263 552 V C 1.410 177.455 176.094 -0.081 0.000 1.026 552 V CA 0.590 62.837 62.300 -0.088 0.000 1.077 552 V CB -0.341 31.445 31.823 -0.062 0.000 1.054 552 V HN 0.728 nan 8.190 nan 0.000 0.477 553 L N 2.601 123.765 121.223 -0.098 0.000 2.156 553 L HA 0.151 4.509 4.340 0.030 0.000 0.208 553 L C 0.710 177.527 176.870 -0.088 0.000 1.095 553 L CA 1.125 55.913 54.840 -0.087 0.000 0.770 553 L CB 0.053 42.056 42.059 -0.095 0.000 0.914 553 L HN 0.637 nan 8.230 nan 0.000 0.439 554 D N -1.518 118.825 120.400 -0.095 0.000 2.685 554 D HA 0.371 5.030 4.640 0.030 0.000 0.236 554 D C -1.251 175.001 176.300 -0.080 0.000 1.233 554 D CA -0.510 53.436 54.000 -0.089 0.000 0.760 554 D CB 1.824 42.555 40.800 -0.114 0.000 1.410 554 D HN -0.211 nan 8.370 nan 0.000 0.439 555 K N 0.219 120.581 120.400 -0.063 0.000 2.508 555 K HA 0.763 5.102 4.320 0.030 0.000 0.260 555 K C -1.050 175.524 176.600 -0.043 0.000 0.949 555 K CA -0.741 55.517 56.287 -0.049 0.000 0.834 555 K CB 2.339 34.818 32.500 -0.035 0.000 1.365 555 K HN 0.544 nan 8.250 nan 0.000 0.437 556 T N -2.123 112.411 114.554 -0.033 0.000 2.864 556 T HA 0.566 4.935 4.350 0.030 0.000 0.299 556 T C -0.338 174.355 174.700 -0.012 0.000 1.166 556 T CA -0.827 61.258 62.100 -0.025 0.000 1.007 556 T CB 1.498 70.351 68.868 -0.025 0.000 1.219 556 T HN 0.533 nan 8.240 nan 0.000 0.506 557 S N -0.406 115.287 115.700 -0.012 0.000 2.786 557 S HA 1.040 5.529 4.470 0.030 0.000 0.307 557 S C 0.283 174.875 174.600 -0.014 0.000 1.121 557 S CA -0.428 57.764 58.200 -0.014 0.000 0.975 557 S CB 1.349 64.534 63.200 -0.024 0.000 1.220 557 S HN 1.949 nan 8.310 nan 0.000 0.550 558 G N -0.257 108.514 108.800 -0.049 0.000 2.313 558 G HA2 0.309 4.287 3.960 0.030 0.000 0.296 558 G HA3 0.309 4.287 3.960 0.030 0.000 0.296 558 G C -0.429 174.323 174.900 -0.246 0.000 1.356 558 G CA -0.371 44.654 45.100 -0.125 0.000 0.833 558 G HN 0.729 nan 8.290 nan 0.000 0.552 559 K N -0.832 119.238 120.400 -0.550 0.000 2.459 559 K HA 0.178 4.516 4.320 0.030 0.000 0.193 559 K C 0.592 176.897 176.600 -0.492 0.000 1.030 559 K CA 0.713 56.679 56.287 -0.534 0.000 1.026 559 K CB -0.037 32.108 32.500 -0.591 0.000 0.809 559 K HN 0.320 nan 8.250 nan 0.000 0.504 560 F N 1.264 121.214 119.950 0.001 0.000 2.663 560 F HA 0.350 4.897 4.527 0.035 0.000 0.299 560 F C 1.966 177.768 175.800 0.002 0.000 1.143 560 F CA -0.456 57.547 58.000 0.005 0.000 1.387 560 F CB 0.075 39.075 39.000 -0.001 0.000 1.019 560 F HN 0.009 nan 8.300 nan 0.000 0.523 561 A N 0.312 123.178 122.820 0.077 0.000 1.978 561 A HA -0.160 4.179 4.320 0.030 0.000 0.220 561 A C 2.130 179.754 177.584 0.068 0.000 1.170 561 A CA 1.542 53.616 52.037 0.061 0.000 0.636 561 A CB -0.250 18.762 19.000 0.020 0.000 0.810 561 A HN 0.282 nan 8.150 nan 0.000 0.448 562 E N 0.439 120.682 120.200 0.071 0.000 2.478 562 E HA 0.010 4.378 4.350 0.030 0.000 0.194 562 E C 0.468 177.117 176.600 0.082 0.000 1.045 562 E CA 0.056 56.497 56.400 0.068 0.000 0.868 562 E CB -0.154 29.579 29.700 0.056 0.000 0.885 562 E HN 0.772 nan 8.360 nan 0.000 0.505 563 Q N 1.137 121.000 119.800 0.105 0.000 2.535 563 Q HA 0.114 4.472 4.340 0.030 0.000 0.228 563 Q C 0.469 176.510 176.000 0.068 0.000 1.062 563 Q CA 0.043 55.905 55.803 0.097 0.000 0.967 563 Q CB 0.910 29.714 28.738 0.110 0.000 1.273 563 Q HN -0.065 nan 8.270 nan 0.000 0.554 564 K N 1.198 121.635 120.400 0.063 0.000 2.319 564 K HA 0.047 4.385 4.320 0.030 0.000 0.265 564 K C -0.537 176.077 176.600 0.023 0.000 1.000 564 K CA -0.140 56.183 56.287 0.061 0.000 0.943 564 K CB 0.544 33.088 32.500 0.074 0.000 0.950 564 K HN 0.473 nan 8.250 nan 0.000 0.485 565 N N 1.921 120.625 118.700 0.007 0.000 2.432 565 N HA 0.454 5.212 4.740 0.030 0.000 0.292 565 N C -0.567 174.819 175.510 -0.206 0.000 1.193 565 N CA -0.563 52.393 53.050 -0.156 0.000 0.878 565 N CB 1.352 39.647 38.487 -0.320 0.000 1.252 565 N HN 0.603 nan 8.380 nan 0.000 0.520 566 I N -1.984 118.351 120.570 -0.392 0.000 2.740 566 I HA 0.547 4.736 4.170 0.030 0.000 0.303 566 I C -1.416 174.363 176.117 -0.564 0.000 1.044 566 I CA -0.849 60.227 61.300 -0.373 0.000 1.064 566 I CB 1.643 39.443 38.000 -0.334 0.000 1.249 566 I HN 0.275 nan 8.210 nan 0.000 0.433 567 Y N 3.028 123.219 120.300 -0.181 0.000 2.328 567 Y HA 0.480 5.049 4.550 0.031 0.000 0.333 567 Y C -0.164 175.643 175.900 -0.155 0.000 0.958 567 Y CA -0.466 57.552 58.100 -0.136 0.000 1.167 567 Y CB 1.593 39.896 38.460 -0.261 0.000 1.151 567 Y HN 0.608 nan 8.280 nan 0.000 0.470 568 Q N 3.450 123.266 119.800 0.026 0.000 2.333 568 Q HA 0.307 4.665 4.340 0.030 0.000 0.267 568 Q C -0.644 175.387 176.000 0.051 0.000 1.012 568 Q CA -1.014 54.767 55.803 -0.037 0.000 0.824 568 Q CB 1.658 30.356 28.738 -0.067 0.000 1.290 568 Q HN 0.729 nan 8.270 nan 0.000 0.449 569 Q N 2.970 122.756 119.800 -0.023 0.000 2.485 569 Q HA -0.100 4.259 4.340 0.030 0.000 0.348 569 Q C -0.861 175.235 176.000 0.160 0.000 1.097 569 Q CA 0.025 55.861 55.803 0.056 0.000 1.079 569 Q CB 0.431 29.149 28.738 -0.034 0.000 1.108 569 Q HN 0.694 nan 8.270 nan 0.000 0.400 570 L N 6.396 127.732 121.223 0.187 0.000 2.456 570 L HA 0.206 4.564 4.340 0.030 0.000 0.272 570 L C -1.191 175.875 176.870 0.327 0.000 1.189 570 L CA 0.702 55.656 54.840 0.191 0.000 0.846 570 L CB 0.643 42.762 42.059 0.100 0.000 1.111 570 L HN 0.753 nan 8.230 nan 0.000 0.475 571 W N 6.866 128.227 121.300 0.101 0.000 2.272 571 W HA 0.216 4.899 4.660 0.038 0.000 0.286 571 W C -1.552 175.074 176.519 0.178 0.000 1.052 571 W CA -1.060 56.361 57.345 0.128 0.000 1.017 571 W CB 0.863 30.404 29.460 0.134 0.000 0.874 571 W HN 0.476 nan 8.180 nan 0.000 0.264 572 C N 4.576 123.961 119.300 0.142 0.000 2.637 572 C HA 0.286 4.764 4.460 0.030 0.000 0.418 572 C C 1.483 176.589 174.990 0.193 0.000 1.319 572 C CA -0.193 58.907 59.018 0.136 0.000 1.949 572 C CB -0.236 27.526 27.740 0.037 0.000 2.639 572 C HN 0.438 nan 8.230 nan 0.000 0.594 573 L N 5.826 127.202 121.223 0.254 0.000 2.529 573 L HA 0.116 4.474 4.340 0.030 0.000 0.287 573 L C -1.445 175.604 176.870 0.300 0.000 1.241 573 L CA -0.492 54.527 54.840 0.298 0.000 0.857 573 L CB 0.226 42.455 42.059 0.282 0.000 1.113 573 L HN 0.502 nan 8.230 nan 0.000 0.504 574 P HA 0.153 nan 4.420 nan 0.000 0.281 574 P C -1.356 175.965 177.300 0.035 0.000 1.249 574 P CA -0.603 62.561 63.100 0.106 0.000 0.810 574 P CB 1.195 32.926 31.700 0.051 0.000 1.008 575 K N 1.471 121.797 120.400 -0.123 0.000 2.235 575 K HA 0.488 4.826 4.320 0.030 0.000 0.266 575 K C -1.374 175.122 176.600 -0.173 0.000 0.980 575 K CA -0.682 55.378 56.287 -0.378 0.000 0.849 575 K CB 0.795 32.905 32.500 -0.650 0.000 1.098 575 K HN 0.199 nan 8.250 nan 0.000 0.445 576 V N 4.024 123.871 119.914 -0.112 0.000 2.567 576 V HA 0.151 4.289 4.120 0.030 0.000 0.298 576 V C -1.097 175.081 176.094 0.139 0.000 1.047 576 V CA -0.844 61.480 62.300 0.039 0.000 0.880 576 V CB 1.507 33.396 31.823 0.110 0.000 1.009 576 V HN 1.008 nan 8.190 nan 0.000 0.429 577 D N 3.841 124.286 120.400 0.074 0.000 2.705 577 D HA -0.097 4.561 4.640 0.030 0.000 0.240 577 D C 1.256 177.532 176.300 -0.041 0.000 1.137 577 D CA 1.835 55.846 54.000 0.018 0.000 0.677 577 D CB -1.045 39.767 40.800 0.021 0.000 1.049 577 D HN 1.543 nan 8.370 nan 0.000 0.427 578 G N -0.708 108.049 108.800 -0.071 0.000 2.168 578 G HA2 -0.386 3.593 3.960 0.030 0.000 0.263 578 G HA3 -0.386 3.593 3.960 0.030 0.000 0.263 578 G C 0.215 175.065 174.900 -0.084 0.000 0.977 578 G CA 0.855 45.903 45.100 -0.087 0.000 0.659 578 G HN 0.555 nan 8.290 nan 0.000 0.533 579 K N -0.875 119.477 120.400 -0.081 0.000 2.469 579 K HA 0.507 4.846 4.320 0.030 0.000 0.254 579 K C -1.246 175.280 176.600 -0.123 0.000 0.939 579 K CA -0.996 55.270 56.287 -0.034 0.000 0.812 579 K CB 1.722 34.263 32.500 0.067 0.000 1.301 579 K HN 0.061 nan 8.250 nan 0.000 0.433 580 Y N 2.234 122.533 120.300 -0.002 0.000 2.404 580 Y HA 0.182 4.749 4.550 0.029 0.000 0.344 580 Y C 0.462 176.336 175.900 -0.042 0.000 0.995 580 Y CA -0.650 57.442 58.100 -0.012 0.000 1.201 580 Y CB 0.455 38.916 38.460 0.003 0.000 1.151 580 Y HN 0.226 nan 8.280 nan 0.000 0.517 581 I N 3.934 124.514 120.570 0.017 0.000 2.440 581 I HA 0.237 4.425 4.170 0.030 0.000 0.294 581 I C -0.081 176.039 176.117 0.005 0.000 0.995 581 I CA -0.613 60.632 61.300 -0.093 0.000 1.306 581 I CB 1.406 39.210 38.000 -0.327 0.000 1.407 581 I HN 0.626 nan 8.210 nan 0.000 0.501 582 Q N 4.437 124.238 119.800 0.001 0.000 2.375 582 Q HA 0.565 4.923 4.340 0.030 0.000 0.271 582 Q C -1.824 174.182 176.000 0.011 0.000 1.074 582 Q CA -0.621 55.219 55.803 0.061 0.000 0.808 582 Q CB 2.800 31.604 28.738 0.110 0.000 1.327 582 Q HN 0.454 nan 8.270 nan 0.000 0.441 583 V N 2.672 122.611 119.914 0.042 0.000 2.427 583 V HA 0.463 4.601 4.120 0.030 0.000 0.286 583 V C -0.549 175.595 176.094 0.084 0.000 1.034 583 V CA -0.519 61.800 62.300 0.031 0.000 0.893 583 V CB 1.348 33.181 31.823 0.018 0.000 0.982 583 V HN 0.854 nan 8.190 nan 0.000 0.452 584 C N 3.524 122.814 119.300 -0.016 0.000 2.498 584 C HA 0.785 5.264 4.460 0.030 0.000 0.316 584 C C 0.408 175.283 174.990 -0.192 0.000 1.209 584 C CA -0.661 58.291 59.018 -0.110 0.000 1.518 584 C CB 1.580 29.153 27.740 -0.278 0.000 2.147 584 C HN 0.974 nan 8.230 nan 0.000 0.483 585 T N -0.163 114.324 114.554 -0.111 0.000 2.856 585 T HA 0.754 5.122 4.350 0.030 0.000 0.283 585 T C -0.834 173.699 174.700 -0.279 0.000 1.008 585 T CA -0.386 61.643 62.100 -0.118 0.000 0.997 585 T CB 0.882 69.880 68.868 0.218 0.000 0.992 585 T HN 0.304 nan 8.240 nan 0.000 0.454 586 F N 1.999 121.870 119.950 -0.131 0.000 2.404 586 F HA 0.520 5.041 4.527 -0.009 0.000 0.339 586 F C 1.345 177.104 175.800 -0.068 0.000 1.105 586 F CA -0.660 57.277 58.000 -0.106 0.000 1.087 586 F CB 1.620 40.517 39.000 -0.171 0.000 1.143 586 F HN 0.791 nan 8.300 nan 0.000 0.491 587 T N 0.062 114.763 114.554 0.246 0.000 2.794 587 T HA 0.706 5.074 4.350 0.030 0.000 0.280 587 T C -0.841 173.940 174.700 0.136 0.000 0.987 587 T CA -0.745 61.449 62.100 0.156 0.000 0.993 587 T CB 1.170 70.170 68.868 0.220 0.000 0.939 587 T HN 0.323 nan 8.240 nan 0.000 0.449 588 V N 3.325 123.263 119.914 0.041 0.000 2.357 588 V HA 0.650 4.788 4.120 0.030 0.000 0.281 588 V C 1.141 177.210 176.094 -0.042 0.000 1.015 588 V CA -0.138 62.161 62.300 -0.001 0.000 0.827 588 V CB 0.498 32.302 31.823 -0.032 0.000 1.018 588 V HN 1.429 nan 8.190 nan 0.000 0.432 589 G N 3.534 112.321 108.800 -0.022 0.000 2.221 589 G HA2 0.060 4.039 3.960 0.030 0.000 0.265 589 G HA3 0.060 4.039 3.960 0.030 0.000 0.265 589 G C 1.120 176.010 174.900 -0.016 0.000 1.041 589 G CA 0.675 45.779 45.100 0.005 0.000 0.807 589 G HN 2.215 nan 8.290 nan 0.000 0.502 590 G N -1.799 106.919 108.800 -0.136 0.000 2.195 590 G HA2 -0.221 3.757 3.960 0.030 0.000 0.246 590 G HA3 -0.221 3.757 3.960 0.030 0.000 0.246 590 G C 0.033 174.734 174.900 -0.331 0.000 0.984 590 G CA 0.593 45.396 45.100 -0.495 0.000 0.633 590 G HN 1.290 nan 8.290 nan 0.000 0.525 591 N N -0.818 117.808 118.700 -0.125 0.000 2.265 591 N HA 0.456 5.214 4.740 0.030 0.000 0.300 591 N C -0.460 175.093 175.510 0.070 0.000 1.148 591 N CA -0.750 52.297 53.050 -0.004 0.000 0.772 591 N CB 1.091 39.583 38.487 0.009 0.000 1.434 591 N HN 0.213 nan 8.380 nan 0.000 0.481 592 Y N 0.512 120.822 120.300 0.016 0.000 2.969 592 Y HA 0.072 4.612 4.550 -0.018 0.000 0.339 592 Y C 1.299 177.240 175.900 0.069 0.000 1.272 592 Y CA 1.044 59.175 58.100 0.051 0.000 1.577 592 Y CB 0.246 38.730 38.460 0.040 0.000 1.234 592 Y HN 0.701 nan 8.280 nan 0.000 0.590 593 G N 2.777 111.314 108.800 -0.438 0.000 3.146 593 G HA2 0.495 4.473 3.960 0.030 0.000 0.238 593 G HA3 0.495 4.473 3.960 0.030 0.000 0.238 593 G C 0.112 174.778 174.900 -0.391 0.000 1.022 593 G CA 0.251 45.192 45.100 -0.266 0.000 0.880 593 G HN 1.271 nan 8.290 nan 0.000 0.533 594 G N -1.243 107.007 108.800 -0.917 0.000 2.320 594 G HA2 0.463 4.441 3.960 0.030 0.000 0.297 594 G HA3 0.463 4.441 3.960 0.030 0.000 0.297 594 G C -1.484 173.240 174.900 -0.293 0.000 1.344 594 G CA -0.156 44.682 45.100 -0.436 0.000 0.851 594 G HN 0.430 nan 8.290 nan 0.000 0.567 595 T N -0.730 113.857 114.554 0.055 0.000 2.916 595 T HA 0.751 5.119 4.350 0.030 0.000 0.305 595 T C -0.340 174.368 174.700 0.013 0.000 1.119 595 T CA 0.150 62.277 62.100 0.046 0.000 1.008 595 T CB 1.175 70.138 68.868 0.159 0.000 1.129 595 T HN 2.028 nan 8.240 nan 0.000 0.480 596 C N 1.594 120.844 119.300 -0.083 0.000 3.320 596 C HA 0.890 5.368 4.460 0.030 0.000 0.335 596 C C -2.004 172.932 174.990 -0.090 0.000 1.430 596 C CA -1.094 57.884 59.018 -0.066 0.000 1.271 596 C CB -0.121 27.600 27.740 -0.031 0.000 1.609 596 C HN 0.919 nan 8.230 nan 0.000 0.457 597 L N 1.495 122.671 121.223 -0.077 0.000 2.341 597 L HA 0.793 5.151 4.340 0.030 0.000 0.267 597 L C -0.250 176.584 176.870 -0.061 0.000 1.009 597 L CA -0.700 54.091 54.840 -0.080 0.000 0.819 597 L CB 1.655 43.652 42.059 -0.103 0.000 1.323 597 L HN 0.686 nan 8.230 nan 0.000 0.425 598 R N 1.111 121.581 120.500 -0.049 0.000 2.686 598 R HA 0.763 5.121 4.340 0.030 0.000 0.286 598 R C -0.621 175.670 176.300 -0.015 0.000 0.969 598 R CA -0.868 55.219 56.100 -0.022 0.000 0.898 598 R CB 2.104 32.395 30.300 -0.015 0.000 1.183 598 R HN 0.823 nan 8.270 nan 0.000 0.456 599 G N 1.115 109.920 108.800 0.009 0.000 2.732 599 G HA2 0.396 4.375 3.960 0.030 0.000 0.295 599 G HA3 0.396 4.375 3.960 0.030 0.000 0.295 599 G C -1.501 173.435 174.900 0.059 0.000 1.456 599 G CA -0.237 44.880 45.100 0.028 0.000 1.050 599 G HN 0.442 nan 8.290 nan 0.000 0.525 600 D N 1.079 121.537 120.400 0.096 0.000 2.645 600 D HA 0.189 4.847 4.640 0.030 0.000 0.228 600 D C 0.431 176.838 176.300 0.179 0.000 1.148 600 D CA -0.524 53.534 54.000 0.098 0.000 0.860 600 D CB 2.376 43.208 40.800 0.052 0.000 1.548 600 D HN 0.277 nan 8.370 nan 0.000 0.460 601 E N 0.244 120.525 120.200 0.135 0.000 2.401 601 E HA -0.050 4.318 4.350 0.030 0.000 0.199 601 E C 0.919 177.652 176.600 0.221 0.000 1.023 601 E CA 0.463 56.965 56.400 0.169 0.000 0.859 601 E CB 0.005 29.758 29.700 0.089 0.000 0.780 601 E HN 0.406 nan 8.360 nan 0.000 0.523 602 S N -0.891 114.869 115.700 0.100 0.000 2.726 602 S HA 0.395 4.883 4.470 0.030 0.000 0.308 602 S C 0.896 175.268 174.600 -0.379 0.000 1.115 602 S CA -0.829 57.317 58.200 -0.090 0.000 0.965 602 S CB 1.264 64.415 63.200 -0.081 0.000 1.145 602 S HN 0.040 nan 8.310 nan 0.000 0.532 603 L N 0.468 121.357 121.223 -0.557 0.000 2.376 603 L HA 0.189 4.547 4.340 0.030 0.000 0.219 603 L C -0.225 176.455 176.870 -0.317 0.000 1.133 603 L CA 0.400 54.861 54.840 -0.632 0.000 0.816 603 L CB 0.068 41.837 42.059 -0.482 0.000 0.933 603 L HN 0.460 nan 8.230 nan 0.000 0.449 604 V N 1.243 121.025 119.914 -0.220 0.000 2.384 604 V HA 0.266 4.404 4.120 0.030 0.000 0.287 604 V C 0.321 176.353 176.094 -0.104 0.000 1.020 604 V CA -0.829 61.374 62.300 -0.163 0.000 0.850 604 V CB 1.984 33.721 31.823 -0.142 0.000 0.987 604 V HN -0.080 nan 8.190 nan 0.000 0.436 605 I N 4.916 125.431 120.570 -0.091 0.000 2.638 605 I HA 0.404 4.592 4.170 0.030 0.000 0.286 605 I C 0.398 176.487 176.117 -0.046 0.000 1.088 605 I CA -0.016 61.255 61.300 -0.048 0.000 1.397 605 I CB 0.414 38.394 38.000 -0.033 0.000 1.414 605 I HN 0.648 nan 8.210 nan 0.000 0.566 606 K N 3.231 123.616 120.400 -0.026 0.000 2.466 606 K HA 0.308 4.646 4.320 0.030 0.000 0.260 606 K C 0.610 177.204 176.600 -0.009 0.000 1.011 606 K CA -0.936 55.340 56.287 -0.018 0.000 0.871 606 K CB 2.048 34.540 32.500 -0.013 0.000 1.404 606 K HN 0.307 nan 8.250 nan 0.000 0.450 607 K N 1.424 121.820 120.400 -0.005 0.000 2.127 607 K HA -0.231 4.107 4.320 0.030 0.000 0.208 607 K C 1.400 178.002 176.600 0.003 0.000 1.047 607 K CA 2.196 58.480 56.287 -0.006 0.000 0.927 607 K CB 0.195 32.691 32.500 -0.007 0.000 0.716 607 K HN 0.547 nan 8.250 nan 0.000 0.450 608 E N 0.423 120.626 120.200 0.005 0.000 2.112 608 E HA -0.038 4.330 4.350 0.030 0.000 0.190 608 E C 0.336 176.947 176.600 0.019 0.000 0.979 608 E CA 0.337 56.744 56.400 0.012 0.000 0.814 608 E CB -0.517 29.188 29.700 0.008 0.000 0.762 608 E HN 0.053 nan 8.360 nan 0.000 0.460 609 S N 2.696 118.404 115.700 0.014 0.000 2.810 609 S HA -0.057 4.431 4.470 0.030 0.000 0.329 609 S C 0.216 174.831 174.600 0.025 0.000 1.231 609 S CA 0.323 58.534 58.200 0.019 0.000 1.042 609 S CB 0.149 63.355 63.200 0.010 0.000 0.756 609 S HN 0.183 nan 8.310 nan 0.000 0.504 610 D N 1.383 121.802 120.400 0.031 0.000 2.377 610 D HA 0.227 4.885 4.640 0.030 0.000 0.245 610 D C 0.219 176.532 176.300 0.022 0.000 1.196 610 D CA -0.085 53.936 54.000 0.035 0.000 0.962 610 D CB 0.479 41.301 40.800 0.038 0.000 1.127 610 D HN 0.238 nan 8.370 nan 0.000 0.471 611 I N 1.504 122.083 120.570 0.015 0.000 2.330 611 I HA 0.134 4.322 4.170 0.030 0.000 0.289 611 I C 0.462 176.549 176.117 -0.049 0.000 1.001 611 I CA -0.494 60.796 61.300 -0.016 0.000 1.193 611 I CB 0.955 38.944 38.000 -0.018 0.000 1.345 611 I HN 0.062 nan 8.210 nan 0.000 0.461 612 E N 7.208 127.384 120.200 -0.039 0.000 2.266 612 E HA 0.398 4.766 4.350 0.030 0.000 0.277 612 E C -2.340 174.158 176.600 -0.170 0.000 1.018 612 E CA -1.912 54.469 56.400 -0.032 0.000 0.840 612 E CB 0.971 30.778 29.700 0.179 0.000 1.082 612 E HN 0.250 nan 8.360 nan 0.000 0.395 613 P HA 0.069 nan 4.420 nan 0.000 0.268 613 P C -0.707 176.406 177.300 -0.313 0.000 1.205 613 P CA -0.158 62.498 63.100 -0.739 0.000 0.771 613 P CB 0.393 30.988 31.700 -1.842 0.000 0.858 614 L N 4.780 125.858 121.223 -0.241 0.000 2.381 614 L HA 0.607 4.966 4.340 0.030 0.000 0.274 614 L C -1.400 175.401 176.870 -0.115 0.000 0.988 614 L CA -0.455 54.336 54.840 -0.081 0.000 0.824 614 L CB 1.401 43.421 42.059 -0.067 0.000 1.263 614 L HN 0.125 nan 8.230 nan 0.000 0.410 615 I N 4.937 125.470 120.570 -0.061 0.000 2.509 615 I HA 0.514 4.702 4.170 0.030 0.000 0.293 615 I C -0.605 175.378 176.117 -0.224 0.000 1.020 615 I CA -0.457 60.718 61.300 -0.207 0.000 1.088 615 I CB 2.286 40.119 38.000 -0.278 0.000 1.267 615 I HN 0.290 nan 8.210 nan 0.000 0.430 616 V N 6.630 126.235 119.914 -0.514 0.000 2.481 616 V HA 0.665 4.803 4.120 0.030 0.000 0.286 616 V C -0.320 175.627 176.094 -0.244 0.000 1.042 616 V CA -0.588 61.421 62.300 -0.484 0.000 0.928 616 V CB 1.672 32.954 31.823 -0.902 0.000 0.986 616 V HN 0.541 nan 8.190 nan 0.000 0.462 617 V N 2.687 122.585 119.914 -0.027 0.000 2.962 617 V HA 0.775 4.913 4.120 0.030 0.000 0.313 617 V C -0.574 175.592 176.094 0.120 0.000 1.099 617 V CA -1.037 61.322 62.300 0.098 0.000 0.971 617 V CB 1.799 33.691 31.823 0.116 0.000 1.028 617 V HN 0.908 nan 8.190 nan 0.000 0.430 618 K N 0.000 120.488 120.400 0.147 0.000 2.780 618 K HA 0.000 4.338 4.320 0.030 0.000 0.191 618 K CA 0.000 56.360 56.287 0.122 0.000 0.838 618 K CB 0.000 32.582 32.500 0.137 0.000 1.064 618 K HN 0.000 nan 8.250 nan 0.000 0.543