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 3my9_1_A DATA FIRST_RESID 2 DATA SEQUENCE SWDSVVERIR IFLVESPIKM XXXXXXXXXX GSVKRVLLEV TSADGIVGWG DATA SEQUENCE EAAPWXXXXX TPEAAFSALD IYLRPLILGA PIKRVRELMA RMDKMLVGHG DATA SEQUENCE EAKAAVEMAL LDILGKATGL SVADLLGGRV RDRIPLSFSI ADPDFDADLE DATA SEQUENCE RMRAMVPAGH TVFKMKTGVK PHAEELRILE TMRGEFGERI DLRLDFNQAL DATA SEQUENCE TPFGAMKILR DVDAFRPTFI EQPVPRRHLD AMAGFAAALD TPILADESCF DATA SEQUENCE DAVDLMEVVR RQAADAISVK IMKCGGLMKA QSLMAIADTA GLPGYGGTLW DATA SEQUENCE EGGIALAAGT QLIAATPGIS LGCEFYMPHH VLTEDVLEER IANSAGHVIV DATA SEQUENCE PDGPGLGISI SEASLRGNAK IL 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.687 174.600 0.144 0.000 1.055 2 S CA 0.000 58.262 58.200 0.103 0.000 1.107 2 S CB 0.000 63.231 63.200 0.053 0.000 0.593 3 W N 4.762 126.063 121.300 0.002 0.000 2.361 3 W HA 0.689 5.348 4.660 -0.002 0.000 0.309 3 W C -0.485 176.034 176.519 0.000 0.000 1.122 3 W CA -0.022 57.324 57.345 0.002 0.000 1.208 3 W CB 0.762 30.224 29.460 0.003 0.000 1.246 3 W HN 0.571 nan 8.180 nan 0.000 0.490 4 D N 4.192 124.180 120.400 -0.686 0.000 2.947 4 D HA 0.419 5.058 4.640 -0.002 0.000 0.224 4 D C -1.604 174.064 176.300 -1.053 0.000 1.230 4 D CA -0.123 53.463 54.000 -0.690 0.000 0.871 4 D CB 2.447 43.063 40.800 -0.308 0.000 1.671 4 D HN 0.280 nan 8.370 nan 0.000 0.507 5 S N 1.292 116.381 115.700 -1.017 0.000 2.587 5 S HA 0.604 5.073 4.470 -0.002 0.000 0.269 5 S C -1.432 172.972 174.600 -0.325 0.000 1.154 5 S CA -0.554 57.239 58.200 -0.678 0.000 0.824 5 S CB 1.134 63.868 63.200 -0.778 0.000 1.118 5 S HN 0.367 nan 8.310 nan 0.000 0.462 6 V N 0.625 120.434 119.914 -0.176 0.000 2.881 6 V HA 0.829 4.948 4.120 -0.002 0.000 0.316 6 V C -0.040 176.035 176.094 -0.033 0.000 1.070 6 V CA -0.832 61.418 62.300 -0.084 0.000 0.976 6 V CB 1.340 33.117 31.823 -0.077 0.000 1.038 6 V HN 0.657 nan 8.190 nan 0.000 0.446 7 V N 2.204 122.110 119.914 -0.013 0.000 2.585 7 V HA 0.119 4.238 4.120 -0.002 0.000 0.296 7 V C 1.198 177.279 176.094 -0.022 0.000 1.035 7 V CA 0.821 63.116 62.300 -0.008 0.000 1.084 7 V CB 0.642 32.457 31.823 -0.013 0.000 0.953 7 V HN 1.169 nan 8.190 nan 0.000 0.483 8 E N 4.018 124.206 120.200 -0.021 0.000 2.332 8 E HA 0.190 4.539 4.350 -0.002 0.000 0.202 8 E C 0.625 177.206 176.600 -0.032 0.000 0.877 8 E CA -0.043 56.342 56.400 -0.025 0.000 0.979 8 E CB 0.625 30.315 29.700 -0.017 0.000 0.969 8 E HN 0.816 nan 8.360 nan 0.000 0.495 9 R N 0.298 120.775 120.500 -0.039 0.000 2.692 9 R HA 0.454 4.793 4.340 -0.002 0.000 0.269 9 R C -0.911 175.345 176.300 -0.073 0.000 1.030 9 R CA -0.860 55.208 56.100 -0.052 0.000 0.882 9 R CB 0.717 30.990 30.300 -0.046 0.000 1.250 9 R HN 0.067 nan 8.270 nan 0.000 0.465 10 I N -1.782 118.735 120.570 -0.090 0.000 2.892 10 I HA 0.669 4.838 4.170 -0.002 0.000 0.306 10 I C -0.971 175.063 176.117 -0.139 0.000 1.078 10 I CA -1.516 59.713 61.300 -0.118 0.000 1.032 10 I CB 2.625 40.554 38.000 -0.119 0.000 1.229 10 I HN 0.524 nan 8.210 nan 0.000 0.435 11 R N 4.370 124.771 120.500 -0.165 0.000 2.513 11 R HA 0.661 5.000 4.340 -0.002 0.000 0.301 11 R C -1.392 174.737 176.300 -0.285 0.000 0.968 11 R CA -0.750 55.187 56.100 -0.271 0.000 0.872 11 R CB 2.567 32.717 30.300 -0.250 0.000 1.177 11 R HN 0.621 nan 8.270 nan 0.000 0.444 12 I N 3.273 123.628 120.570 -0.358 0.000 2.354 12 I HA 0.374 4.543 4.170 -0.002 0.000 0.292 12 I C -0.725 175.295 176.117 -0.162 0.000 0.989 12 I CA -0.551 60.641 61.300 -0.179 0.000 1.188 12 I CB 0.954 38.771 38.000 -0.304 0.000 1.342 12 I HN 0.358 nan 8.210 nan 0.000 0.457 13 F N 6.242 126.347 119.950 0.259 0.000 2.467 13 F HA 0.458 4.984 4.527 -0.002 0.000 0.336 13 F C -0.157 175.806 175.800 0.273 0.000 1.123 13 F CA -0.601 57.562 58.000 0.273 0.000 0.964 13 F CB 1.608 40.749 39.000 0.236 0.000 1.136 13 F HN 0.269 nan 8.300 nan 0.000 0.447 14 L N 6.033 127.437 121.223 0.302 0.000 2.260 14 L HA 0.704 5.043 4.340 -0.002 0.000 0.289 14 L C -0.757 176.177 176.870 0.108 0.000 1.057 14 L CA -0.720 54.167 54.840 0.077 0.000 0.811 14 L CB 0.587 42.452 42.059 -0.323 0.000 1.184 14 L HN 0.544 nan 8.230 nan 0.000 0.429 15 V N 1.434 121.419 119.914 0.117 0.000 2.864 15 V HA 0.585 4.704 4.120 -0.002 0.000 0.314 15 V C -0.564 175.564 176.094 0.057 0.000 1.073 15 V CA -0.865 61.490 62.300 0.091 0.000 0.956 15 V CB 1.899 33.778 31.823 0.093 0.000 1.023 15 V HN 0.792 nan 8.190 nan 0.000 0.435 16 E N 1.367 121.592 120.200 0.041 0.000 2.191 16 E HA 0.668 5.017 4.350 -0.002 0.000 0.278 16 E C -0.922 175.703 176.600 0.042 0.000 0.972 16 E CA -0.417 56.005 56.400 0.037 0.000 0.804 16 E CB 1.896 31.608 29.700 0.021 0.000 1.110 16 E HN 0.892 nan 8.360 nan 0.000 0.394 17 S N 3.755 119.490 115.700 0.059 0.000 2.536 17 S HA 0.521 4.990 4.470 -0.002 0.000 0.287 17 S C -2.617 172.012 174.600 0.048 0.000 1.101 17 S CA -1.263 56.967 58.200 0.050 0.000 0.950 17 S CB 1.912 65.156 63.200 0.073 0.000 1.056 17 S HN 0.423 nan 8.310 nan 0.000 0.481 18 P HA 0.546 nan 4.420 nan 0.000 0.282 18 P C -0.864 176.447 177.300 0.019 0.000 1.249 18 P CA -0.557 62.554 63.100 0.019 0.000 0.806 18 P CB 0.494 32.195 31.700 0.002 0.000 0.984 19 I N -2.458 118.130 120.570 0.030 0.000 3.206 19 I HA 0.969 5.138 4.170 -0.002 0.000 0.313 19 I C -0.566 175.561 176.117 0.017 0.000 1.103 19 I CA -1.504 59.811 61.300 0.026 0.000 0.985 19 I CB 1.858 39.896 38.000 0.064 0.000 1.240 19 I HN 0.211 nan 8.210 nan 0.000 0.464 20 K N 1.451 121.859 120.400 0.013 0.000 2.482 20 K HA 0.881 5.200 4.320 -0.002 0.000 0.251 20 K C -0.958 175.650 176.600 0.014 0.000 0.936 20 K CA 0.040 56.334 56.287 0.011 0.000 0.791 20 K CB 1.458 33.960 32.500 0.003 0.000 1.213 20 K HN 1.203 nan 8.250 nan 0.000 0.428 33 S N -1.473 114.251 115.700 0.040 0.000 2.565 33 S HA 0.828 5.297 4.470 -0.002 0.000 0.269 33 S C -0.899 173.738 174.600 0.061 0.000 1.153 33 S CA 0.066 58.293 58.200 0.045 0.000 0.835 33 S CB 1.766 64.983 63.200 0.029 0.000 1.122 33 S HN 2.057 nan 8.310 nan 0.000 0.462 34 V N -1.182 118.780 119.914 0.079 0.000 2.971 34 V HA 1.041 5.160 4.120 -0.002 0.000 0.309 34 V C -0.607 175.526 176.094 0.064 0.000 1.130 34 V CA -0.702 61.646 62.300 0.080 0.000 0.964 34 V CB 0.939 32.859 31.823 0.163 0.000 1.029 34 V HN 1.108 nan 8.190 nan 0.000 0.427 35 K N 2.122 122.534 120.400 0.019 0.000 2.164 35 K HA 0.951 5.270 4.320 -0.002 0.000 0.258 35 K C -0.335 176.270 176.600 0.008 0.000 0.951 35 K CA -0.874 55.422 56.287 0.015 0.000 0.844 35 K CB 1.710 34.200 32.500 -0.016 0.000 1.099 35 K HN 0.967 nan 8.250 nan 0.000 0.435 36 R N 0.155 120.690 120.500 0.058 0.000 2.673 36 R HA 0.567 4.905 4.340 -0.002 0.000 0.281 36 R C -1.214 175.163 176.300 0.129 0.000 0.991 36 R CA -1.078 55.074 56.100 0.087 0.000 0.896 36 R CB 2.289 32.703 30.300 0.191 0.000 1.201 36 R HN 0.379 nan 8.270 nan 0.000 0.457 37 V N 4.325 124.321 119.914 0.136 0.000 2.350 37 V HA 0.403 4.522 4.120 -0.002 0.000 0.276 37 V C -0.206 176.030 176.094 0.238 0.000 1.028 37 V CA -0.663 61.764 62.300 0.212 0.000 0.860 37 V CB 0.747 32.681 31.823 0.185 0.000 0.990 37 V HN 0.496 nan 8.190 nan 0.000 0.453 38 L N 5.709 127.129 121.223 0.328 0.000 2.334 38 L HA 0.716 5.055 4.340 -0.002 0.000 0.276 38 L C -0.681 176.445 176.870 0.427 0.000 1.014 38 L CA -0.729 54.349 54.840 0.397 0.000 0.815 38 L CB 1.911 44.243 42.059 0.456 0.000 1.268 38 L HN 0.489 nan 8.230 nan 0.000 0.428 39 L N 2.471 123.886 121.223 0.320 0.000 2.356 39 L HA 0.493 4.832 4.340 -0.002 0.000 0.277 39 L C -0.607 176.207 176.870 -0.093 0.000 0.996 39 L CA 0.038 54.952 54.840 0.123 0.000 0.822 39 L CB 1.843 43.931 42.059 0.048 0.000 1.256 39 L HN 0.647 nan 8.230 nan 0.000 0.413 40 E N 4.389 124.388 120.200 -0.334 0.000 2.145 40 E HA 0.535 4.884 4.350 -0.002 0.000 0.270 40 E C -1.718 174.635 176.600 -0.412 0.000 0.906 40 E CA -0.677 55.226 56.400 -0.829 0.000 0.761 40 E CB 1.695 30.718 29.700 -1.128 0.000 1.116 40 E HN 0.553 nan 8.360 nan 0.000 0.408 41 V N 3.425 123.129 119.914 -0.349 0.000 2.581 41 V HA 0.453 4.572 4.120 -0.002 0.000 0.303 41 V C -0.196 175.810 176.094 -0.147 0.000 1.041 41 V CA -0.600 61.591 62.300 -0.181 0.000 0.907 41 V CB 1.986 33.748 31.823 -0.103 0.000 0.994 41 V HN 0.727 nan 8.190 nan 0.000 0.442 42 T N 2.459 116.962 114.554 -0.085 0.000 2.841 42 T HA 0.437 4.786 4.350 -0.002 0.000 0.285 42 T C -0.001 174.699 174.700 0.000 0.000 0.991 42 T CA -0.516 61.560 62.100 -0.040 0.000 0.966 42 T CB 1.533 70.377 68.868 -0.039 0.000 0.962 42 T HN 0.899 nan 8.240 nan 0.000 0.438 43 S N 1.959 117.686 115.700 0.044 0.000 2.645 43 S HA 0.565 5.034 4.470 -0.002 0.000 0.266 43 S C 1.760 176.384 174.600 0.041 0.000 1.258 43 S CA -0.285 57.956 58.200 0.068 0.000 0.990 43 S CB 0.800 64.103 63.200 0.172 0.000 0.967 43 S HN 0.812 nan 8.310 nan 0.000 0.556 44 A N 0.688 123.516 122.820 0.013 0.000 2.070 44 A HA -0.031 4.288 4.320 -0.002 0.000 0.220 44 A C 1.421 179.011 177.584 0.011 0.000 1.159 44 A CA 1.383 53.416 52.037 -0.007 0.000 0.656 44 A CB -0.795 18.179 19.000 -0.042 0.000 0.800 44 A HN 0.933 nan 8.150 nan 0.000 0.453 45 D N -2.521 117.908 120.400 0.047 0.000 2.463 45 D HA 0.320 4.959 4.640 -0.002 0.000 0.224 45 D C 1.004 177.370 176.300 0.110 0.000 1.174 45 D CA 0.548 54.597 54.000 0.083 0.000 0.829 45 D CB -0.486 40.391 40.800 0.127 0.000 0.993 45 D HN 0.635 nan 8.370 nan 0.000 0.497 46 G N 0.599 109.449 108.800 0.083 0.000 2.176 46 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.253 46 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.253 46 G C 0.186 175.129 174.900 0.071 0.000 0.979 46 G CA 0.113 45.253 45.100 0.067 0.000 0.641 46 G HN 0.447 nan 8.290 nan 0.000 0.530 47 I N 1.379 122.008 120.570 0.098 0.000 2.441 47 I HA 0.444 4.613 4.170 -0.002 0.000 0.287 47 I C 0.622 176.771 176.117 0.052 0.000 1.049 47 I CA -0.837 60.510 61.300 0.078 0.000 1.381 47 I CB 1.509 39.560 38.000 0.085 0.000 1.409 47 I HN -0.104 nan 8.210 nan 0.000 0.523 48 V N 4.987 124.926 119.914 0.040 0.000 2.547 48 V HA 0.780 4.899 4.120 -0.002 0.000 0.299 48 V C 0.495 176.598 176.094 0.016 0.000 1.040 48 V CA -0.413 61.889 62.300 0.004 0.000 0.913 48 V CB 1.541 33.389 31.823 0.042 0.000 0.992 48 V HN 0.944 nan 8.190 nan 0.000 0.449 49 G N 2.266 111.020 108.800 -0.077 0.000 2.612 49 G HA2 0.640 4.599 3.960 -0.002 0.000 0.298 49 G HA3 0.640 4.599 3.960 -0.002 0.000 0.298 49 G C -2.211 172.613 174.900 -0.128 0.000 1.336 49 G CA -0.558 44.541 45.100 -0.002 0.000 0.953 49 G HN 0.549 nan 8.290 nan 0.000 0.482 50 W N -0.019 121.300 121.300 0.032 0.000 2.689 50 W HA 0.701 5.359 4.660 -0.002 0.000 0.340 50 W C 0.367 176.912 176.519 0.043 0.000 1.060 50 W CA -0.342 57.028 57.345 0.042 0.000 1.218 50 W CB 2.909 32.386 29.460 0.027 0.000 1.410 50 W HN 0.819 nan 8.180 nan 0.000 0.528 51 G N 0.902 109.872 108.800 0.284 0.000 2.642 51 G HA2 0.629 4.588 3.960 -0.002 0.000 0.293 51 G HA3 0.629 4.588 3.960 -0.002 0.000 0.293 51 G C -1.975 173.065 174.900 0.233 0.000 1.341 51 G CA -0.739 44.483 45.100 0.203 0.000 0.916 51 G HN 0.387 nan 8.290 nan 0.000 0.474 52 E N -0.350 119.961 120.200 0.185 0.000 2.275 52 E HA 0.601 4.950 4.350 -0.002 0.000 0.270 52 E C -0.692 175.990 176.600 0.137 0.000 0.882 52 E CA -0.980 55.534 56.400 0.189 0.000 0.758 52 E CB 1.934 31.765 29.700 0.218 0.000 1.195 52 E HN 0.719 nan 8.360 nan 0.000 0.419 53 A N 3.294 126.177 122.820 0.105 0.000 2.294 53 A HA 0.690 5.009 4.320 -0.002 0.000 0.316 53 A C -0.396 177.177 177.584 -0.019 0.000 1.359 53 A CA -0.106 51.960 52.037 0.048 0.000 0.956 53 A CB 0.646 19.668 19.000 0.037 0.000 1.155 53 A HN 0.569 nan 8.150 nan 0.000 0.544 54 A N 5.388 128.170 122.820 -0.063 0.000 2.256 54 A HA 0.720 5.039 4.320 -0.002 0.000 0.317 54 A C -2.515 174.946 177.584 -0.205 0.000 1.318 54 A CA -1.530 50.335 52.037 -0.287 0.000 0.894 54 A CB 0.110 18.919 19.000 -0.318 0.000 1.165 54 A HN 0.583 nan 8.150 nan 0.000 0.525 55 P HA 0.132 nan 4.420 nan 0.000 0.272 55 P C -0.115 177.170 177.300 -0.026 0.000 1.254 55 P CA -0.222 62.827 63.100 -0.086 0.000 0.795 55 P CB 0.515 32.154 31.700 -0.102 0.000 1.022 63 P HA 0.187 nan 4.420 nan 0.000 0.229 63 P C 1.586 178.906 177.300 0.034 0.000 1.160 63 P CA 1.353 64.448 63.100 -0.008 0.000 0.777 63 P CB 0.242 31.927 31.700 -0.025 0.000 0.814 64 E N 0.520 120.728 120.200 0.014 0.000 2.077 64 E HA -0.143 4.206 4.350 -0.002 0.000 0.193 64 E C 2.075 178.717 176.600 0.071 0.000 0.989 64 E CA 1.458 57.886 56.400 0.045 0.000 0.800 64 E CB -1.452 28.252 29.700 0.007 0.000 0.746 64 E HN 0.263 nan 8.360 nan 0.000 0.452 65 A N 1.259 124.088 122.820 0.015 0.000 1.852 65 A HA 0.080 4.399 4.320 -0.002 0.000 0.217 65 A C 2.904 180.396 177.584 -0.153 0.000 1.215 65 A CA 3.311 55.318 52.037 -0.051 0.000 0.641 65 A CB -1.225 17.762 19.000 -0.021 0.000 0.838 65 A HN 1.209 nan 8.150 nan 0.000 0.450 66 A N -1.553 121.199 122.820 -0.113 0.000 1.892 66 A HA -0.156 4.163 4.320 -0.002 0.000 0.218 66 A C 2.116 179.666 177.584 -0.057 0.000 1.188 66 A CA 1.965 53.929 52.037 -0.121 0.000 0.631 66 A CB -0.875 18.105 19.000 -0.033 0.000 0.822 66 A HN 0.799 nan 8.150 nan 0.000 0.447 67 F N 1.981 121.876 119.950 -0.092 0.000 2.126 67 F HA -0.250 4.276 4.527 -0.002 0.000 0.299 67 F C 2.758 178.514 175.800 -0.074 0.000 1.096 67 F CA 2.200 60.163 58.000 -0.062 0.000 1.255 67 F CB -0.230 38.746 39.000 -0.039 0.000 0.997 67 F HN 0.339 nan 8.300 nan 0.000 0.479 68 S N 0.333 116.032 115.700 -0.001 0.000 2.387 68 S HA -0.032 4.437 4.470 -0.002 0.000 0.226 68 S C 2.308 176.812 174.600 -0.160 0.000 1.026 68 S CA 0.552 58.705 58.200 -0.079 0.000 0.972 68 S CB -1.191 62.017 63.200 0.014 0.000 0.814 68 S HN 0.435 nan 8.310 nan 0.000 0.477 69 A N 2.532 125.236 122.820 -0.194 0.000 1.873 69 A HA -0.025 4.294 4.320 -0.002 0.000 0.218 69 A C 2.332 179.825 177.584 -0.152 0.000 1.193 69 A CA 1.817 53.738 52.037 -0.193 0.000 0.629 69 A CB -1.104 17.692 19.000 -0.340 0.000 0.826 69 A HN 0.527 nan 8.150 nan 0.000 0.447 70 L N -0.942 120.166 121.223 -0.193 0.000 2.017 70 L HA -0.189 4.150 4.340 -0.002 0.000 0.208 70 L C 2.460 179.197 176.870 -0.222 0.000 1.073 70 L CA 1.787 56.515 54.840 -0.188 0.000 0.745 70 L CB -0.531 41.406 42.059 -0.205 0.000 0.894 70 L HN 0.453 nan 8.230 nan 0.000 0.432 71 D N -0.068 120.136 120.400 -0.327 0.000 2.144 71 D HA -0.167 4.472 4.640 -0.002 0.000 0.200 71 D C 1.816 178.008 176.300 -0.181 0.000 0.978 71 D CA 1.514 55.323 54.000 -0.318 0.000 0.833 71 D CB 0.261 40.778 40.800 -0.471 0.000 0.961 71 D HN 0.426 nan 8.370 nan 0.000 0.470 72 I N -2.920 117.566 120.570 -0.139 0.000 3.366 72 I HA 0.198 4.367 4.170 -0.002 0.000 0.267 72 I C 2.606 178.687 176.117 -0.061 0.000 1.149 72 I CA 1.021 62.272 61.300 -0.083 0.000 1.436 72 I CB -1.019 36.947 38.000 -0.057 0.000 1.379 72 I HN -0.046 nan 8.210 nan 0.000 0.460 73 Y N 1.717 121.985 120.300 -0.052 0.000 2.153 73 Y HA 0.198 4.747 4.550 -0.002 0.000 0.289 73 Y C 2.272 178.154 175.900 -0.030 0.000 1.127 73 Y CA 2.229 60.315 58.100 -0.025 0.000 1.131 73 Y CB -0.979 37.485 38.460 0.007 0.000 0.995 73 Y HN 0.318 nan 8.280 nan 0.000 0.505 74 L N -0.607 120.589 121.223 -0.044 0.000 2.375 74 L HA -0.006 4.333 4.340 -0.002 0.000 0.215 74 L C 2.577 179.417 176.870 -0.051 0.000 1.108 74 L CA 0.913 55.729 54.840 -0.040 0.000 0.830 74 L CB -0.422 41.614 42.059 -0.039 0.000 0.959 74 L HN 0.447 nan 8.230 nan 0.000 0.457 75 R N 1.342 121.799 120.500 -0.070 0.000 2.113 75 R HA -0.185 4.154 4.340 -0.002 0.000 0.244 75 R C -0.632 175.635 176.300 -0.055 0.000 1.142 75 R CA 1.997 58.053 56.100 -0.074 0.000 0.953 75 R CB -1.074 29.171 30.300 -0.092 0.000 0.860 75 R HN 0.251 nan 8.270 nan 0.000 0.438 76 P HA -0.049 nan 4.420 nan 0.000 0.233 76 P C 0.941 178.223 177.300 -0.030 0.000 1.167 76 P CA 0.961 64.039 63.100 -0.036 0.000 0.770 76 P CB 0.013 31.694 31.700 -0.031 0.000 0.837 77 L N -1.322 119.884 121.223 -0.029 0.000 2.127 77 L HA -0.038 4.301 4.340 -0.002 0.000 0.203 77 L C 2.176 179.032 176.870 -0.023 0.000 1.080 77 L CA 0.858 55.685 54.840 -0.023 0.000 0.768 77 L CB -0.830 41.218 42.059 -0.018 0.000 0.924 77 L HN -0.109 nan 8.230 nan 0.000 0.444 78 I N 0.571 121.124 120.570 -0.029 0.000 2.179 78 I HA -0.181 3.988 4.170 -0.002 0.000 0.242 78 I C 1.471 177.570 176.117 -0.030 0.000 1.088 78 I CA 0.962 62.245 61.300 -0.029 0.000 1.357 78 I CB -0.968 37.008 38.000 -0.040 0.000 1.051 78 I HN 0.103 nan 8.210 nan 0.000 0.409 79 L N 1.194 122.395 121.223 -0.036 0.000 2.462 79 L HA 0.244 4.583 4.340 -0.002 0.000 0.272 79 L C 1.428 178.279 176.870 -0.031 0.000 1.166 79 L CA 0.761 55.580 54.840 -0.036 0.000 0.880 79 L CB 0.263 42.298 42.059 -0.040 0.000 1.142 79 L HN 0.588 nan 8.230 nan 0.000 0.473 80 G N 2.397 111.178 108.800 -0.031 0.000 2.299 80 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.237 80 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.237 80 G C 0.531 175.413 174.900 -0.031 0.000 1.027 80 G CA -0.017 45.064 45.100 -0.032 0.000 0.619 80 G HN 0.950 nan 8.290 nan 0.000 0.513 81 A N 1.776 124.581 122.820 -0.024 0.000 2.540 81 A HA 0.536 4.855 4.320 -0.002 0.000 0.239 81 A C -1.709 175.864 177.584 -0.018 0.000 1.061 81 A CA 0.196 52.222 52.037 -0.018 0.000 0.758 81 A CB 0.007 19.001 19.000 -0.010 0.000 0.991 81 A HN 0.269 nan 8.150 nan 0.000 0.502 82 P HA 0.244 nan 4.420 nan 0.000 0.282 82 P C 0.471 177.780 177.300 0.016 0.000 1.274 82 P CA -0.175 62.909 63.100 -0.026 0.000 0.770 82 P CB 0.524 32.203 31.700 -0.034 0.000 0.867 83 I N 2.407 123.005 120.570 0.046 0.000 2.493 83 I HA -0.217 3.952 4.170 -0.002 0.000 0.254 83 I C 1.786 178.009 176.117 0.176 0.000 1.160 83 I CA 1.416 62.799 61.300 0.140 0.000 1.445 83 I CB -0.391 37.775 38.000 0.278 0.000 1.086 83 I HN 0.351 nan 8.210 nan 0.000 0.433 84 K N 0.777 121.282 120.400 0.176 0.000 2.442 84 K HA -0.014 4.305 4.320 -0.002 0.000 0.198 84 K C 0.646 177.297 176.600 0.084 0.000 1.042 84 K CA 0.667 57.047 56.287 0.156 0.000 0.958 84 K CB 0.021 32.603 32.500 0.137 0.000 0.766 84 K HN 0.264 nan 8.250 nan 0.000 0.474 85 R N 1.032 121.566 120.500 0.057 0.000 3.752 85 R HA 0.127 4.466 4.340 -0.002 0.000 0.291 85 R C 0.688 177.007 176.300 0.032 0.000 1.433 85 R CA -0.239 55.882 56.100 0.035 0.000 1.518 85 R CB 0.564 30.875 30.300 0.018 0.000 1.413 85 R HN -0.055 nan 8.270 nan 0.000 0.676 86 V N 0.470 120.407 119.914 0.038 0.000 2.295 86 V HA -0.268 3.851 4.120 -0.002 0.000 0.246 86 V C 2.480 178.587 176.094 0.022 0.000 1.049 86 V CA 1.699 64.018 62.300 0.032 0.000 1.024 86 V CB -0.406 31.439 31.823 0.036 0.000 0.648 86 V HN 0.517 nan 8.190 nan 0.000 0.447 87 R N -0.226 120.286 120.500 0.020 0.000 2.096 87 R HA -0.210 4.129 4.340 -0.002 0.000 0.235 87 R C 2.420 178.727 176.300 0.011 0.000 1.127 87 R CA 1.844 57.952 56.100 0.015 0.000 0.968 87 R CB -0.185 30.123 30.300 0.013 0.000 0.861 87 R HN 0.693 nan 8.270 nan 0.000 0.440 88 E N 0.183 120.390 120.200 0.011 0.000 2.077 88 E HA -0.215 4.134 4.350 -0.002 0.000 0.193 88 E C 1.937 178.540 176.600 0.005 0.000 0.989 88 E CA 1.019 57.423 56.400 0.007 0.000 0.800 88 E CB -0.018 29.686 29.700 0.006 0.000 0.746 88 E HN 0.219 nan 8.360 nan 0.000 0.452 89 L N 0.573 121.800 121.223 0.007 0.000 2.056 89 L HA -0.118 4.221 4.340 -0.002 0.000 0.207 89 L C 2.410 179.283 176.870 0.005 0.000 1.078 89 L CA 1.628 56.471 54.840 0.005 0.000 0.749 89 L CB -0.430 41.633 42.059 0.007 0.000 0.901 89 L HN 0.260 nan 8.230 nan 0.000 0.433 90 M N -0.323 119.282 119.600 0.008 0.000 2.159 90 M HA -0.096 4.383 4.480 -0.002 0.000 0.263 90 M C 2.119 178.421 176.300 0.004 0.000 1.063 90 M CA 2.002 57.306 55.300 0.007 0.000 1.110 90 M CB -0.660 31.946 32.600 0.009 0.000 1.374 90 M HN 0.282 nan 8.290 nan 0.000 0.411 91 A N -0.067 122.754 122.820 0.003 0.000 1.930 91 A HA -0.025 4.294 4.320 -0.002 0.000 0.217 91 A C 2.410 179.993 177.584 -0.002 0.000 1.175 91 A CA 2.260 54.297 52.037 0.000 0.000 0.627 91 A CB -1.076 17.924 19.000 0.000 0.000 0.815 91 A HN 0.588 nan 8.150 nan 0.000 0.443 92 R N -0.331 120.168 120.500 -0.002 0.000 2.073 92 R HA 0.000 4.339 4.340 -0.002 0.000 0.234 92 R C 2.110 178.408 176.300 -0.003 0.000 1.134 92 R CA 1.934 58.032 56.100 -0.004 0.000 0.952 92 R CB -1.234 29.064 30.300 -0.005 0.000 0.850 92 R HN 0.673 nan 8.270 nan 0.000 0.433 93 M N 0.739 120.338 119.600 -0.001 0.000 2.175 93 M HA -0.075 4.404 4.480 -0.002 0.000 0.264 93 M C 1.251 177.552 176.300 0.002 0.000 1.063 93 M CA 1.574 56.876 55.300 0.002 0.000 1.119 93 M CB -0.215 32.389 32.600 0.006 0.000 1.377 93 M HN 0.300 nan 8.290 nan 0.000 0.415 94 D N 0.412 120.811 120.400 -0.001 0.000 2.224 94 D HA -0.110 4.529 4.640 -0.002 0.000 0.205 94 D C 1.876 178.170 176.300 -0.011 0.000 0.965 94 D CA 1.128 55.124 54.000 -0.007 0.000 0.852 94 D CB -0.097 40.699 40.800 -0.007 0.000 0.947 94 D HN 0.253 nan 8.370 nan 0.000 0.494 95 K N -0.197 120.199 120.400 -0.008 0.000 2.116 95 K HA 0.018 4.337 4.320 -0.002 0.000 0.203 95 K C 1.789 178.383 176.600 -0.010 0.000 1.052 95 K CA 0.753 57.034 56.287 -0.009 0.000 0.952 95 K CB 0.143 32.638 32.500 -0.008 0.000 0.729 95 K HN -0.097 nan 8.250 nan 0.000 0.446 96 M N -0.044 119.552 119.600 -0.007 0.000 2.394 96 M HA 0.174 4.653 4.480 -0.002 0.000 0.266 96 M C 0.100 176.397 176.300 -0.003 0.000 1.098 96 M CA 0.333 55.629 55.300 -0.006 0.000 1.149 96 M CB -0.369 32.228 32.600 -0.005 0.000 1.369 96 M HN 0.154 nan 8.290 nan 0.000 0.450 97 L N 0.546 121.768 121.223 -0.001 0.000 2.370 97 L HA 0.556 4.895 4.340 -0.002 0.000 0.266 97 L C -0.895 175.958 176.870 -0.029 0.000 1.002 97 L CA -0.963 53.878 54.840 0.000 0.000 0.818 97 L CB 2.017 44.101 42.059 0.042 0.000 1.325 97 L HN -0.021 nan 8.230 nan 0.000 0.418 98 V N 1.844 121.715 119.914 -0.072 0.000 2.357 98 V HA 0.830 4.949 4.120 -0.002 0.000 0.284 98 V C 0.625 176.606 176.094 -0.189 0.000 1.018 98 V CA 0.118 62.357 62.300 -0.101 0.000 0.841 98 V CB 0.485 32.255 31.823 -0.087 0.000 0.991 98 V HN 1.359 nan 8.190 nan 0.000 0.437 99 G N 3.619 112.331 108.800 -0.145 0.000 2.198 99 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.257 99 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.257 99 G C 0.042 174.809 174.900 -0.221 0.000 1.042 99 G CA 0.415 45.413 45.100 -0.169 0.000 0.791 99 G HN 1.146 nan 8.290 nan 0.000 0.502 100 H N 0.208 119.264 119.070 -0.024 0.000 2.423 100 H HA 0.410 4.965 4.556 -0.001 0.000 0.227 100 H C 1.881 177.198 175.328 -0.018 0.000 1.596 100 H CA 0.086 56.123 56.048 -0.019 0.000 1.207 100 H CB 0.260 30.013 29.762 -0.014 0.000 1.595 100 H HN 0.339 nan 8.280 nan 0.000 0.534 101 G N 0.947 109.790 108.800 0.071 0.000 2.475 101 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.220 101 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.220 101 G C 1.516 176.439 174.900 0.039 0.000 1.125 101 G CA 0.565 45.684 45.100 0.032 0.000 0.755 101 G HN 0.359 nan 8.290 nan 0.000 0.565 102 E N 0.731 120.961 120.200 0.051 0.000 2.028 102 E HA 0.097 4.446 4.350 -0.002 0.000 0.191 102 E C 2.871 179.492 176.600 0.035 0.000 0.988 102 E CA 1.201 57.624 56.400 0.038 0.000 0.799 102 E CB -0.503 29.217 29.700 0.033 0.000 0.755 102 E HN 0.337 nan 8.360 nan 0.000 0.447 103 A N 1.098 123.936 122.820 0.029 0.000 1.902 103 A HA -0.250 4.069 4.320 -0.002 0.000 0.217 103 A C 1.913 179.508 177.584 0.018 0.000 1.181 103 A CA 1.839 53.880 52.037 0.008 0.000 0.623 103 A CB -0.405 18.574 19.000 -0.035 0.000 0.818 103 A HN 0.097 nan 8.150 nan 0.000 0.443 104 K N -0.179 120.240 120.400 0.032 0.000 2.057 104 K HA -0.035 4.284 4.320 -0.002 0.000 0.207 104 K C 2.258 178.873 176.600 0.026 0.000 1.049 104 K CA 1.176 57.479 56.287 0.026 0.000 0.931 104 K CB -0.364 32.153 32.500 0.029 0.000 0.714 104 K HN 0.422 nan 8.250 nan 0.000 0.440 105 A N 1.472 124.310 122.820 0.030 0.000 1.978 105 A HA -0.133 4.186 4.320 -0.002 0.000 0.220 105 A C 2.344 179.955 177.584 0.045 0.000 1.170 105 A CA 1.839 53.897 52.037 0.034 0.000 0.636 105 A CB -0.685 18.336 19.000 0.035 0.000 0.810 105 A HN 0.346 nan 8.150 nan 0.000 0.448 106 A N -0.686 122.163 122.820 0.048 0.000 1.930 106 A HA 0.063 4.382 4.320 -0.002 0.000 0.217 106 A C 2.202 179.815 177.584 0.048 0.000 1.175 106 A CA 1.597 53.672 52.037 0.063 0.000 0.627 106 A CB -0.739 18.303 19.000 0.069 0.000 0.815 106 A HN 0.344 nan 8.150 nan 0.000 0.443 107 V N 0.053 119.983 119.914 0.027 0.000 2.307 107 V HA -0.262 3.857 4.120 -0.002 0.000 0.245 107 V C 2.542 178.650 176.094 0.023 0.000 1.045 107 V CA 2.274 64.583 62.300 0.015 0.000 1.024 107 V CB -0.647 31.178 31.823 0.003 0.000 0.651 107 V HN 0.770 nan 8.190 nan 0.000 0.449 108 E N -0.281 119.935 120.200 0.028 0.000 2.038 108 E HA -0.301 4.048 4.350 -0.002 0.000 0.195 108 E C 2.292 178.914 176.600 0.038 0.000 1.000 108 E CA 2.055 58.474 56.400 0.030 0.000 0.803 108 E CB -0.201 29.516 29.700 0.028 0.000 0.750 108 E HN 0.521 nan 8.360 nan 0.000 0.448 109 M N 0.377 120.005 119.600 0.047 0.000 2.151 109 M HA -0.290 4.189 4.480 -0.002 0.000 0.256 109 M C 2.282 178.620 176.300 0.063 0.000 1.072 109 M CA 2.377 57.713 55.300 0.060 0.000 1.090 109 M CB -0.222 32.425 32.600 0.079 0.000 1.294 109 M HN 0.271 nan 8.290 nan 0.000 0.415 110 A N -0.329 122.527 122.820 0.061 0.000 1.902 110 A HA -0.139 4.180 4.320 -0.002 0.000 0.217 110 A C 1.815 179.419 177.584 0.033 0.000 1.181 110 A CA 1.370 53.436 52.037 0.048 0.000 0.623 110 A CB -0.749 18.259 19.000 0.013 0.000 0.818 110 A HN 0.499 nan 8.150 nan 0.000 0.443 111 L N -0.363 120.880 121.223 0.034 0.000 2.093 111 L HA -0.072 4.267 4.340 -0.002 0.000 0.208 111 L C 2.415 179.311 176.870 0.042 0.000 1.085 111 L CA 1.296 56.163 54.840 0.045 0.000 0.755 111 L CB -0.665 41.423 42.059 0.047 0.000 0.904 111 L HN 0.361 nan 8.230 nan 0.000 0.435 112 L N -1.124 120.119 121.223 0.033 0.000 2.141 112 L HA -0.184 4.154 4.340 -0.002 0.000 0.209 112 L C 2.213 179.086 176.870 0.005 0.000 1.094 112 L CA 0.989 55.841 54.840 0.020 0.000 0.763 112 L CB -0.568 41.505 42.059 0.023 0.000 0.908 112 L HN 0.258 nan 8.230 nan 0.000 0.437 113 D N 0.832 121.246 120.400 0.023 0.000 2.092 113 D HA -0.187 4.452 4.640 -0.002 0.000 0.193 113 D C 2.200 178.494 176.300 -0.009 0.000 0.994 113 D CA 1.434 55.450 54.000 0.026 0.000 0.828 113 D CB 0.021 40.866 40.800 0.075 0.000 0.963 113 D HN 0.215 nan 8.370 nan 0.000 0.450 114 I N -0.087 120.479 120.570 -0.006 0.000 2.142 114 I HA -0.241 3.928 4.170 -0.002 0.000 0.240 114 I C 2.411 178.425 176.117 -0.172 0.000 1.078 114 I CA 0.549 61.828 61.300 -0.036 0.000 1.343 114 I CB -0.301 37.725 38.000 0.043 0.000 1.046 114 I HN 0.125 nan 8.210 nan 0.000 0.405 115 L N 1.329 122.468 121.223 -0.141 0.000 2.042 115 L HA -0.141 4.198 4.340 -0.002 0.000 0.210 115 L C 2.330 179.025 176.870 -0.293 0.000 1.076 115 L CA 2.309 56.990 54.840 -0.265 0.000 0.749 115 L CB -1.283 40.744 42.059 -0.055 0.000 0.893 115 L HN 0.217 nan 8.230 nan 0.000 0.432 116 G N -0.919 107.785 108.800 -0.161 0.000 2.421 116 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.216 116 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.216 116 G C 1.686 176.486 174.900 -0.167 0.000 1.171 116 G CA 0.842 45.862 45.100 -0.132 0.000 0.775 116 G HN 0.423 nan 8.290 nan 0.000 0.543 117 K N 0.556 120.859 120.400 -0.162 0.000 2.147 117 K HA 0.072 4.391 4.320 -0.002 0.000 0.205 117 K C 2.830 179.285 176.600 -0.241 0.000 1.049 117 K CA 0.880 57.078 56.287 -0.148 0.000 0.936 117 K CB -0.144 32.302 32.500 -0.090 0.000 0.722 117 K HN 0.285 nan 8.250 nan 0.000 0.446 118 A N 1.028 123.580 122.820 -0.447 0.000 2.014 118 A HA -0.090 4.229 4.320 -0.002 0.000 0.218 118 A C 1.967 179.203 177.584 -0.580 0.000 1.163 118 A CA 1.750 53.345 52.037 -0.737 0.000 0.652 118 A CB -0.359 17.542 19.000 -1.832 0.000 0.808 118 A HN 0.419 nan 8.150 nan 0.000 0.449 119 T N -5.550 108.759 114.554 -0.409 0.000 3.040 119 T HA 0.436 4.785 4.350 -0.002 0.000 0.266 119 T C 1.187 175.806 174.700 -0.136 0.000 1.005 119 T CA 0.963 62.919 62.100 -0.240 0.000 0.906 119 T CB 0.286 69.037 68.868 -0.196 0.000 1.082 119 T HN 1.612 nan 8.240 nan 0.000 0.531 120 G N 1.555 110.277 108.800 -0.130 0.000 2.176 120 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.252 120 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.252 120 G C -0.218 174.644 174.900 -0.063 0.000 1.024 120 G CA 0.260 45.312 45.100 -0.079 0.000 0.755 120 G HN 0.635 nan 8.290 nan 0.000 0.507 121 L N 0.791 121.970 121.223 -0.073 0.000 2.342 121 L HA 0.662 5.001 4.340 -0.002 0.000 0.271 121 L C 1.138 177.981 176.870 -0.045 0.000 1.008 121 L CA -0.563 54.246 54.840 -0.051 0.000 0.818 121 L CB 1.996 44.025 42.059 -0.050 0.000 1.296 121 L HN 0.367 nan 8.230 nan 0.000 0.427 122 S N 0.863 116.546 115.700 -0.028 0.000 2.624 122 S HA 0.213 4.682 4.470 -0.002 0.000 0.263 122 S C 1.066 175.657 174.600 -0.015 0.000 1.287 122 S CA -0.815 57.373 58.200 -0.019 0.000 0.990 122 S CB 1.464 64.657 63.200 -0.011 0.000 0.950 122 S HN 0.328 nan 8.310 nan 0.000 0.561 123 V N 1.704 121.614 119.914 -0.006 0.000 2.343 123 V HA -0.163 3.956 4.120 -0.002 0.000 0.247 123 V C 3.010 179.105 176.094 0.003 0.000 1.051 123 V CA 2.283 64.584 62.300 0.001 0.000 1.036 123 V CB -1.863 29.967 31.823 0.012 0.000 0.654 123 V HN 1.020 nan 8.190 nan 0.000 0.451 124 A N 0.184 123.006 122.820 0.003 0.000 1.892 124 A HA -0.323 3.996 4.320 -0.002 0.000 0.218 124 A C 1.985 179.569 177.584 0.000 0.000 1.188 124 A CA 2.298 54.337 52.037 0.003 0.000 0.631 124 A CB -0.779 18.222 19.000 0.002 0.000 0.822 124 A HN 0.565 nan 8.150 nan 0.000 0.447 125 D N -0.001 120.397 120.400 -0.004 0.000 2.133 125 D HA -0.140 4.499 4.640 -0.002 0.000 0.195 125 D C 1.702 178.000 176.300 -0.004 0.000 0.997 125 D CA 1.199 55.195 54.000 -0.006 0.000 0.840 125 D CB -0.386 40.407 40.800 -0.012 0.000 0.947 125 D HN 0.501 nan 8.370 nan 0.000 0.452 126 L N -0.031 121.190 121.223 -0.004 0.000 2.552 126 L HA 0.042 4.381 4.340 -0.002 0.000 0.227 126 L C 1.538 178.411 176.870 0.006 0.000 1.146 126 L CA 0.196 55.037 54.840 0.000 0.000 0.858 126 L CB 0.073 42.131 42.059 -0.002 0.000 0.969 126 L HN -0.046 nan 8.230 nan 0.000 0.451 127 L N -0.784 120.443 121.223 0.005 0.000 3.066 127 L HA 0.366 4.705 4.340 -0.002 0.000 0.265 127 L C 1.107 177.981 176.870 0.006 0.000 1.232 127 L CA 0.272 55.117 54.840 0.007 0.000 1.031 127 L CB 0.453 42.517 42.059 0.008 0.000 1.379 127 L HN 0.319 nan 8.230 nan 0.000 0.563 128 G N -0.679 108.124 108.800 0.005 0.000 2.192 128 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.193 128 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.193 128 G C 0.527 175.429 174.900 0.003 0.000 0.999 128 G CA -0.222 44.881 45.100 0.005 0.000 0.659 128 G HN 0.804 nan 8.290 nan 0.000 0.503 129 G N -0.755 108.046 108.800 0.002 0.000 2.675 129 G HA2 0.185 4.144 3.960 -0.002 0.000 0.686 129 G HA3 0.185 4.144 3.960 -0.002 0.000 0.686 129 G C -0.226 174.674 174.900 0.000 0.000 1.215 129 G CA 0.017 45.117 45.100 -0.000 0.000 0.777 129 G HN 0.854 nan 8.290 nan 0.000 0.638 130 R N -0.111 120.388 120.500 -0.001 0.000 2.640 130 R HA 0.295 4.634 4.340 -0.002 0.000 0.270 130 R C 0.964 177.262 176.300 -0.002 0.000 1.024 130 R CA 0.332 56.431 56.100 -0.002 0.000 1.085 130 R CB 0.816 31.113 30.300 -0.005 0.000 0.963 130 R HN 0.426 nan 8.270 nan 0.000 0.426 131 V N 2.929 122.842 119.914 -0.002 0.000 3.604 131 V HA 0.076 4.195 4.120 -0.002 0.000 0.277 131 V C 0.188 176.279 176.094 -0.006 0.000 1.399 131 V CA 0.438 62.737 62.300 -0.002 0.000 1.034 131 V CB -0.219 31.605 31.823 0.001 0.000 0.824 131 V HN 0.786 nan 8.190 nan 0.000 0.439 132 R N -1.367 119.128 120.500 -0.009 0.000 2.710 132 R HA 0.493 4.832 4.340 -0.002 0.000 0.270 132 R C -1.053 175.235 176.300 -0.020 0.000 1.021 132 R CA -0.718 55.371 56.100 -0.018 0.000 0.889 132 R CB 1.316 31.606 30.300 -0.016 0.000 1.243 132 R HN -0.138 nan 8.270 nan 0.000 0.464 133 D N 0.204 120.583 120.400 -0.035 0.000 2.417 133 D HA 0.168 4.807 4.640 -0.002 0.000 0.207 133 D C -0.170 176.107 176.300 -0.040 0.000 1.075 133 D CA 0.368 54.348 54.000 -0.034 0.000 0.851 133 D CB 0.758 41.534 40.800 -0.040 0.000 0.976 133 D HN 0.330 nan 8.370 nan 0.000 0.505 134 R N 0.135 120.595 120.500 -0.066 0.000 2.808 134 R HA 0.690 5.029 4.340 -0.002 0.000 0.272 134 R C -0.691 175.590 176.300 -0.033 0.000 0.995 134 R CA -0.678 55.380 56.100 -0.070 0.000 0.917 134 R CB 2.468 32.599 30.300 -0.282 0.000 1.217 134 R HN -0.179 nan 8.270 nan 0.000 0.471 135 I N 2.027 122.607 120.570 0.018 0.000 2.439 135 I HA 0.317 4.486 4.170 -0.002 0.000 0.285 135 I C -2.373 173.764 176.117 0.034 0.000 1.021 135 I CA -2.682 58.628 61.300 0.018 0.000 1.091 135 I CB 2.217 40.224 38.000 0.011 0.000 1.242 135 I HN 0.207 nan 8.210 nan 0.000 0.439 136 P HA -0.003 nan 4.420 nan 0.000 0.262 136 P C -0.842 176.450 177.300 -0.014 0.000 1.182 136 P CA -0.065 63.050 63.100 0.024 0.000 0.761 136 P CB 0.480 32.200 31.700 0.033 0.000 0.795 137 L N 3.390 124.571 121.223 -0.071 0.000 2.298 137 L HA 0.434 4.772 4.340 -0.002 0.000 0.284 137 L C 0.080 176.882 176.870 -0.114 0.000 1.013 137 L CA -0.310 54.438 54.840 -0.154 0.000 0.824 137 L CB 1.345 43.258 42.059 -0.243 0.000 1.221 137 L HN 0.174 nan 8.230 nan 0.000 0.418 138 S N 4.327 119.985 115.700 -0.070 0.000 2.549 138 S HA 0.314 4.783 4.470 -0.002 0.000 0.279 138 S C -0.540 174.032 174.600 -0.048 0.000 1.321 138 S CA -0.244 57.931 58.200 -0.041 0.000 1.054 138 S CB 0.004 63.253 63.200 0.081 0.000 0.899 138 S HN 0.458 nan 8.310 nan 0.000 0.497 139 F N 4.672 124.463 119.950 -0.265 0.000 2.404 139 F HA 0.441 4.967 4.527 -0.002 0.000 0.354 139 F C 0.414 176.188 175.800 -0.042 0.000 1.122 139 F CA -0.414 57.473 58.000 -0.188 0.000 1.080 139 F CB 1.207 39.999 39.000 -0.347 0.000 1.131 139 F HN 0.511 nan 8.300 nan 0.000 0.471 140 S N 6.750 122.133 115.700 -0.530 0.000 2.505 140 S HA 0.409 4.878 4.470 -0.002 0.000 0.276 140 S C -0.363 174.123 174.600 -0.190 0.000 1.274 140 S CA -0.708 57.331 58.200 -0.268 0.000 1.053 140 S CB -0.070 62.980 63.200 -0.249 0.000 0.919 140 S HN 0.472 nan 8.310 nan 0.000 0.490 141 I N 4.942 125.548 120.570 0.059 0.000 2.337 141 I HA 0.380 4.549 4.170 -0.002 0.000 0.285 141 I C 0.665 176.817 176.117 0.058 0.000 1.041 141 I CA -0.208 61.179 61.300 0.145 0.000 1.199 141 I CB 0.370 38.501 38.000 0.218 0.000 1.370 141 I HN 0.815 nan 8.210 nan 0.000 0.470 142 A N 4.349 127.191 122.820 0.037 0.000 2.665 142 A HA 0.134 4.453 4.320 -0.002 0.000 0.268 142 A C 0.256 177.857 177.584 0.027 0.000 1.044 142 A CA -0.315 51.728 52.037 0.011 0.000 0.993 142 A CB 0.137 19.120 19.000 -0.028 0.000 1.229 142 A HN 0.534 nan 8.150 nan 0.000 0.576 143 D N 1.088 121.525 120.400 0.061 0.000 2.348 143 D HA 0.248 4.887 4.640 -0.002 0.000 0.253 143 D C -1.512 174.830 176.300 0.070 0.000 1.161 143 D CA -1.394 52.641 54.000 0.058 0.000 0.876 143 D CB 1.586 42.425 40.800 0.065 0.000 1.160 143 D HN -0.012 nan 8.370 nan 0.000 0.459 144 P HA -0.107 nan 4.420 nan 0.000 0.217 144 P C 0.039 177.380 177.300 0.068 0.000 1.148 144 P CA 0.878 64.007 63.100 0.047 0.000 0.828 144 P CB 0.212 31.930 31.700 0.029 0.000 0.783 145 D N -0.974 119.463 120.400 0.062 0.000 2.422 145 D HA 0.003 4.642 4.640 -0.002 0.000 0.227 145 D C 0.649 176.999 176.300 0.083 0.000 1.190 145 D CA -0.615 53.421 54.000 0.060 0.000 0.905 145 D CB -0.404 40.411 40.800 0.024 0.000 1.034 145 D HN -0.117 nan 8.370 nan 0.000 0.507 146 F N 3.432 123.378 119.950 -0.007 0.000 2.171 146 F HA -0.151 4.375 4.527 -0.001 0.000 0.300 146 F C 1.399 177.196 175.800 -0.005 0.000 1.090 146 F CA 1.287 59.281 58.000 -0.010 0.000 1.293 146 F CB 0.105 39.091 39.000 -0.024 0.000 1.013 146 F HN 0.263 nan 8.300 nan 0.000 0.486 147 D N 0.661 120.918 120.400 -0.238 0.000 2.149 147 D HA -0.184 4.455 4.640 -0.002 0.000 0.198 147 D C 2.444 178.578 176.300 -0.277 0.000 0.990 147 D CA 1.513 55.326 54.000 -0.312 0.000 0.839 147 D CB -0.741 39.990 40.800 -0.114 0.000 0.948 147 D HN 0.389 nan 8.370 nan 0.000 0.460 148 A N 0.912 123.635 122.820 -0.162 0.000 1.908 148 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 148 A C 1.914 179.421 177.584 -0.128 0.000 1.181 148 A CA 1.842 53.816 52.037 -0.104 0.000 0.627 148 A CB -0.457 18.520 19.000 -0.038 0.000 0.818 148 A HN 0.038 nan 8.150 nan 0.000 0.445 149 D N -0.744 119.554 120.400 -0.170 0.000 2.144 149 D HA -0.090 4.549 4.640 -0.002 0.000 0.200 149 D C 1.826 177.971 176.300 -0.258 0.000 0.978 149 D CA 0.952 54.881 54.000 -0.118 0.000 0.833 149 D CB -0.289 40.522 40.800 0.019 0.000 0.961 149 D HN 0.299 nan 8.370 nan 0.000 0.470 150 L N 1.275 122.153 121.223 -0.575 0.000 2.083 150 L HA -0.134 4.205 4.340 -0.002 0.000 0.209 150 L C 1.880 178.630 176.870 -0.200 0.000 1.083 150 L CA 1.733 56.297 54.840 -0.459 0.000 0.752 150 L CB -0.355 41.313 42.059 -0.651 0.000 0.899 150 L HN -0.094 nan 8.230 nan 0.000 0.433 151 E N -0.298 119.790 120.200 -0.187 0.000 2.072 151 E HA -0.173 4.176 4.350 -0.002 0.000 0.190 151 E C 2.308 178.848 176.600 -0.100 0.000 0.982 151 E CA 0.864 57.197 56.400 -0.112 0.000 0.803 151 E CB -0.158 29.484 29.700 -0.097 0.000 0.755 151 E HN 0.552 nan 8.360 nan 0.000 0.453 152 R N 0.258 120.690 120.500 -0.114 0.000 2.094 152 R HA -0.097 4.242 4.340 -0.002 0.000 0.239 152 R C 2.556 178.727 176.300 -0.216 0.000 1.137 152 R CA 1.759 57.768 56.100 -0.151 0.000 0.943 152 R CB -0.359 29.877 30.300 -0.107 0.000 0.850 152 R HN 0.180 nan 8.270 nan 0.000 0.433 153 M N -0.361 119.110 119.600 -0.214 0.000 2.108 153 M HA -0.179 4.300 4.480 -0.002 0.000 0.261 153 M C 2.339 178.574 176.300 -0.108 0.000 1.066 153 M CA 1.593 56.697 55.300 -0.326 0.000 1.107 153 M CB -0.243 32.048 32.600 -0.515 0.000 1.356 153 M HN -0.007 nan 8.290 nan 0.000 0.406 154 R N 0.258 120.785 120.500 0.045 0.000 2.105 154 R HA -0.111 4.228 4.340 -0.002 0.000 0.239 154 R C 2.138 178.461 176.300 0.038 0.000 1.135 154 R CA 1.856 58.022 56.100 0.110 0.000 0.967 154 R CB -0.450 29.866 30.300 0.027 0.000 0.861 154 R HN 0.440 nan 8.270 nan 0.000 0.442 155 A N -0.740 122.062 122.820 -0.030 0.000 1.975 155 A HA -0.011 4.308 4.320 -0.002 0.000 0.215 155 A C 1.998 179.555 177.584 -0.044 0.000 1.170 155 A CA 0.885 52.899 52.037 -0.039 0.000 0.656 155 A CB -0.150 18.811 19.000 -0.065 0.000 0.821 155 A HN 0.227 nan 8.150 nan 0.000 0.449 156 M N -0.832 118.704 119.600 -0.107 0.000 2.334 156 M HA -0.044 4.435 4.480 -0.002 0.000 0.266 156 M C 1.981 178.329 176.300 0.080 0.000 1.082 156 M CA 0.815 56.037 55.300 -0.131 0.000 1.141 156 M CB -0.150 32.171 32.600 -0.465 0.000 1.380 156 M HN 0.222 nan 8.290 nan 0.000 0.440 157 V N 0.976 120.932 119.914 0.070 0.000 2.295 157 V HA -0.158 3.961 4.120 -0.002 0.000 0.246 157 V C -0.596 175.567 176.094 0.115 0.000 1.049 157 V CA 1.872 64.239 62.300 0.111 0.000 1.024 157 V CB -1.923 29.920 31.823 0.033 0.000 0.648 157 V HN 0.282 nan 8.190 nan 0.000 0.447 158 P HA -0.085 nan 4.420 nan 0.000 0.220 158 P C 1.274 178.614 177.300 0.068 0.000 1.148 158 P CA 1.613 64.758 63.100 0.076 0.000 0.803 158 P CB -0.111 31.624 31.700 0.058 0.000 0.782 159 A N -1.053 121.816 122.820 0.081 0.000 2.235 159 A HA 0.406 4.725 4.320 -0.002 0.000 0.208 159 A C 1.680 179.311 177.584 0.078 0.000 1.172 159 A CA 0.904 52.991 52.037 0.084 0.000 0.786 159 A CB -1.227 17.838 19.000 0.108 0.000 0.804 159 A HN 0.262 nan 8.150 nan 0.000 0.479 160 G N -1.676 107.174 108.800 0.084 0.000 2.176 160 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.232 160 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.232 160 G C 0.053 174.952 174.900 -0.002 0.000 0.986 160 G CA 0.092 45.215 45.100 0.038 0.000 0.643 160 G HN 0.674 nan 8.290 nan 0.000 0.522 161 H N 1.199 120.253 119.070 -0.027 0.000 2.848 161 H HA 0.331 4.886 4.556 -0.002 0.000 0.317 161 H C 1.633 176.958 175.328 -0.005 0.000 1.046 161 H CA 1.276 57.265 56.048 -0.098 0.000 1.470 161 H CB 1.266 30.912 29.762 -0.195 0.000 1.483 161 H HN 0.426 nan 8.280 nan 0.000 0.548 162 T N -0.767 113.808 114.554 0.035 0.000 2.964 162 T HA 0.096 4.445 4.350 -0.002 0.000 0.249 162 T C 0.659 175.404 174.700 0.076 0.000 1.000 162 T CA -0.154 62.020 62.100 0.123 0.000 0.992 162 T CB 0.173 69.085 68.868 0.073 0.000 1.087 162 T HN 0.152 nan 8.240 nan 0.000 0.489 163 V N 2.821 122.633 119.914 -0.170 0.000 2.432 163 V HA 0.531 4.650 4.120 -0.002 0.000 0.271 163 V C -0.992 174.824 176.094 -0.463 0.000 1.046 163 V CA -0.606 61.591 62.300 -0.171 0.000 0.945 163 V CB -0.208 31.552 31.823 -0.105 0.000 0.992 163 V HN 0.369 nan 8.190 nan 0.000 0.471 164 F N 3.554 123.494 119.950 -0.017 0.000 2.540 164 F HA 0.559 5.085 4.527 -0.002 0.000 0.317 164 F C 0.109 175.876 175.800 -0.055 0.000 1.104 164 F CA -0.771 57.237 58.000 0.014 0.000 0.913 164 F CB 2.053 41.041 39.000 -0.020 0.000 1.170 164 F HN 0.249 nan 8.300 nan 0.000 0.450 165 K N 4.648 125.116 120.400 0.114 0.000 2.394 165 K HA 0.461 4.780 4.320 -0.002 0.000 0.260 165 K C -1.132 175.481 176.600 0.022 0.000 0.967 165 K CA -0.562 55.732 56.287 0.011 0.000 0.855 165 K CB 1.424 33.925 32.500 0.002 0.000 1.101 165 K HN 0.794 nan 8.250 nan 0.000 0.433 166 M N 4.497 124.079 119.600 -0.031 0.000 2.144 166 M HA 0.184 4.663 4.480 -0.002 0.000 0.356 166 M C -0.409 175.822 176.300 -0.116 0.000 1.217 166 M CA -0.376 54.889 55.300 -0.058 0.000 1.087 166 M CB 0.758 33.295 32.600 -0.104 0.000 1.609 166 M HN 0.449 nan 8.290 nan 0.000 0.467 167 K N 3.704 124.047 120.400 -0.094 0.000 2.379 167 K HA 0.185 4.504 4.320 -0.002 0.000 0.284 167 K C -0.615 175.863 176.600 -0.204 0.000 1.044 167 K CA 0.170 56.383 56.287 -0.124 0.000 0.974 167 K CB 0.505 32.964 32.500 -0.068 0.000 0.962 167 K HN 0.768 nan 8.250 nan 0.000 0.474 168 T N -0.130 114.212 114.554 -0.354 0.000 2.907 168 T HA 0.565 4.914 4.350 -0.002 0.000 0.290 168 T C 0.665 175.172 174.700 -0.322 0.000 1.066 168 T CA -0.287 61.524 62.100 -0.483 0.000 1.012 168 T CB 1.749 70.008 68.868 -1.017 0.000 1.184 168 T HN 0.699 nan 8.240 nan 0.000 0.522 169 G N -0.507 108.254 108.800 -0.065 0.000 2.147 169 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.244 169 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.244 169 G C 0.403 175.361 174.900 0.097 0.000 1.005 169 G CA 0.274 45.494 45.100 0.201 0.000 0.713 169 G HN 0.974 nan 8.290 nan 0.000 0.515 170 V N -0.808 119.123 119.914 0.029 0.000 3.013 170 V HA 0.265 4.384 4.120 -0.002 0.000 0.238 170 V C 1.464 177.570 176.094 0.019 0.000 1.161 170 V CA 1.711 64.023 62.300 0.020 0.000 1.170 170 V CB 0.236 32.056 31.823 -0.005 0.000 0.917 170 V HN 0.378 nan 8.190 nan 0.000 0.478 171 K N 1.026 121.430 120.400 0.008 0.000 2.106 171 K HA 0.441 4.760 4.320 -0.002 0.000 0.246 171 K C -2.635 173.983 176.600 0.031 0.000 0.987 171 K CA -1.922 54.370 56.287 0.008 0.000 0.904 171 K CB 0.492 32.980 32.500 -0.020 0.000 1.071 171 K HN 0.033 nan 8.250 nan 0.000 0.453 172 P HA -0.088 nan 4.420 nan 0.000 0.264 172 P C 0.068 177.416 177.300 0.080 0.000 1.183 172 P CA 0.367 63.502 63.100 0.058 0.000 0.763 172 P CB 0.387 32.109 31.700 0.037 0.000 0.807 173 H N 4.099 123.176 119.070 0.013 0.000 2.321 173 H HA -0.239 4.317 4.556 -0.001 0.000 0.295 173 H C 1.880 177.205 175.328 -0.004 0.000 1.102 173 H CA 2.664 58.722 56.048 0.017 0.000 1.266 173 H CB -0.625 29.158 29.762 0.035 0.000 1.363 173 H HN 0.454 nan 8.280 nan 0.000 0.492 174 A N 0.402 123.188 122.820 -0.056 0.000 1.917 174 A HA -0.279 4.040 4.320 -0.002 0.000 0.219 174 A C 2.407 179.909 177.584 -0.137 0.000 1.182 174 A CA 2.089 54.054 52.037 -0.120 0.000 0.633 174 A CB -0.806 18.174 19.000 -0.032 0.000 0.819 174 A HN 0.726 nan 8.150 nan 0.000 0.448 175 E N -0.320 119.822 120.200 -0.096 0.000 2.072 175 E HA -0.204 4.145 4.350 -0.002 0.000 0.191 175 E C 1.917 178.403 176.600 -0.189 0.000 0.985 175 E CA 1.239 57.571 56.400 -0.114 0.000 0.801 175 E CB -0.136 29.522 29.700 -0.071 0.000 0.750 175 E HN 0.753 nan 8.360 nan 0.000 0.452 176 E N 0.334 120.421 120.200 -0.187 0.000 2.153 176 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 176 E C 2.261 178.655 176.600 -0.343 0.000 0.988 176 E CA 0.774 57.027 56.400 -0.246 0.000 0.811 176 E CB -0.007 29.602 29.700 -0.152 0.000 0.746 176 E HN 0.363 nan 8.360 nan 0.000 0.466 177 L N 0.500 121.517 121.223 -0.344 0.000 2.056 177 L HA -0.158 4.181 4.340 -0.002 0.000 0.207 177 L C 2.585 179.273 176.870 -0.302 0.000 1.078 177 L CA 1.124 55.759 54.840 -0.341 0.000 0.749 177 L CB -0.353 41.563 42.059 -0.239 0.000 0.901 177 L HN 0.068 nan 8.230 nan 0.000 0.433 178 R N 0.052 120.418 120.500 -0.223 0.000 2.096 178 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 178 R C 2.261 178.401 176.300 -0.267 0.000 1.127 178 R CA 1.265 57.261 56.100 -0.174 0.000 0.968 178 R CB -0.390 29.837 30.300 -0.122 0.000 0.861 178 R HN 0.339 nan 8.270 nan 0.000 0.440 179 I N 0.938 121.260 120.570 -0.412 0.000 2.179 179 I HA -0.312 3.857 4.170 -0.002 0.000 0.242 179 I C 2.241 178.030 176.117 -0.547 0.000 1.088 179 I CA 1.404 62.297 61.300 -0.678 0.000 1.357 179 I CB -0.219 37.234 38.000 -0.911 0.000 1.051 179 I HN 0.140 nan 8.210 nan 0.000 0.409 180 L N 0.080 120.951 121.223 -0.587 0.000 2.083 180 L HA -0.220 4.119 4.340 -0.002 0.000 0.209 180 L C 2.529 179.073 176.870 -0.543 0.000 1.083 180 L CA 1.181 55.590 54.840 -0.718 0.000 0.752 180 L CB -0.461 40.796 42.059 -1.338 0.000 0.899 180 L HN 0.203 nan 8.230 nan 0.000 0.433 181 E N -0.140 119.831 120.200 -0.382 0.000 2.077 181 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 181 E C 2.052 178.664 176.600 0.021 0.000 0.989 181 E CA 1.887 58.317 56.400 0.050 0.000 0.800 181 E CB -0.062 29.703 29.700 0.108 0.000 0.746 181 E HN 0.307 nan 8.360 nan 0.000 0.452 182 T N 0.209 114.738 114.554 -0.040 0.000 2.746 182 T HA -0.146 4.203 4.350 -0.002 0.000 0.267 182 T C 1.879 176.620 174.700 0.068 0.000 1.039 182 T CA 1.516 63.632 62.100 0.027 0.000 1.142 182 T CB -0.206 68.719 68.868 0.095 0.000 0.866 182 T HN 0.168 nan 8.240 nan 0.000 0.444 183 M N 0.296 119.943 119.600 0.078 0.000 2.086 183 M HA -0.050 4.429 4.480 -0.002 0.000 0.261 183 M C 2.552 178.967 176.300 0.192 0.000 1.067 183 M CA 1.355 56.771 55.300 0.194 0.000 1.116 183 M CB -0.130 32.527 32.600 0.096 0.000 1.348 183 M HN -0.056 nan 8.290 nan 0.000 0.407 184 R N -0.008 120.565 120.500 0.122 0.000 2.115 184 R HA 0.014 4.353 4.340 -0.002 0.000 0.226 184 R C 2.255 178.612 176.300 0.095 0.000 1.100 184 R CA 1.390 57.580 56.100 0.149 0.000 0.980 184 R CB -1.461 28.976 30.300 0.229 0.000 0.875 184 R HN 0.484 nan 8.270 nan 0.000 0.445 185 G N 0.602 109.437 108.800 0.059 0.000 2.422 185 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.218 185 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.218 185 G C 1.461 176.319 174.900 -0.071 0.000 1.146 185 G CA 0.845 45.947 45.100 0.004 0.000 0.769 185 G HN 0.418 nan 8.290 nan 0.000 0.547 186 E N -0.984 119.119 120.200 -0.162 0.000 2.102 186 E HA 0.092 4.441 4.350 -0.002 0.000 0.190 186 E C 1.767 178.116 176.600 -0.418 0.000 0.971 186 E CA 0.386 56.543 56.400 -0.405 0.000 0.821 186 E CB -0.030 29.196 29.700 -0.790 0.000 0.777 186 E HN 0.422 nan 8.360 nan 0.000 0.460 187 F N -0.133 119.803 119.950 -0.024 0.000 2.678 187 F HA 0.351 4.877 4.527 -0.002 0.000 0.291 187 F C 1.633 177.429 175.800 -0.006 0.000 1.123 187 F CA 0.527 58.510 58.000 -0.028 0.000 1.395 187 F CB 0.013 38.974 39.000 -0.066 0.000 1.121 187 F HN 0.224 nan 8.300 nan 0.000 0.592 188 G N 1.091 109.986 108.800 0.160 0.000 2.651 188 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.315 188 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.315 188 G C 0.836 175.806 174.900 0.115 0.000 1.258 188 G CA 0.772 45.938 45.100 0.110 0.000 1.002 188 G HN 0.391 nan 8.290 nan 0.000 0.551 189 E N 0.874 121.127 120.200 0.088 0.000 2.437 189 E HA 0.199 4.548 4.350 -0.002 0.000 0.189 189 E C 2.337 178.985 176.600 0.080 0.000 1.054 189 E CA -0.121 56.324 56.400 0.075 0.000 0.874 189 E CB 0.195 29.928 29.700 0.055 0.000 1.011 189 E HN 0.468 nan 8.360 nan 0.000 0.474 190 R N 0.764 121.328 120.500 0.107 0.000 2.280 190 R HA 0.051 4.390 4.340 -0.002 0.000 0.207 190 R C 0.993 177.348 176.300 0.092 0.000 1.043 190 R CA 0.561 56.727 56.100 0.110 0.000 1.006 190 R CB -0.382 30.011 30.300 0.155 0.000 0.885 190 R HN 0.257 nan 8.270 nan 0.000 0.467 191 I N -2.503 118.109 120.570 0.070 0.000 2.530 191 I HA 0.365 4.534 4.170 -0.002 0.000 0.297 191 I C -0.862 175.299 176.117 0.074 0.000 1.011 191 I CA -1.156 60.180 61.300 0.061 0.000 1.107 191 I CB 1.849 39.785 38.000 -0.106 0.000 1.285 191 I HN -0.277 nan 8.210 nan 0.000 0.436 192 D N 6.249 126.707 120.400 0.097 0.000 2.479 192 D HA 0.282 4.921 4.640 -0.002 0.000 0.218 192 D C -1.162 175.150 176.300 0.021 0.000 1.131 192 D CA -0.228 53.794 54.000 0.036 0.000 0.916 192 D CB 1.009 41.819 40.800 0.017 0.000 1.022 192 D HN 0.533 nan 8.370 nan 0.000 0.515 193 L N 4.234 125.448 121.223 -0.016 0.000 2.282 193 L HA 0.526 4.865 4.340 -0.002 0.000 0.288 193 L C -0.604 176.164 176.870 -0.170 0.000 1.033 193 L CA -0.264 54.554 54.840 -0.037 0.000 0.807 193 L CB 0.902 42.948 42.059 -0.022 0.000 1.209 193 L HN 0.197 nan 8.230 nan 0.000 0.423 194 R N 4.529 124.878 120.500 -0.253 0.000 2.778 194 R HA 0.794 5.133 4.340 -0.002 0.000 0.277 194 R C -1.262 174.895 176.300 -0.238 0.000 0.977 194 R CA -0.542 55.282 56.100 -0.459 0.000 0.950 194 R CB 1.664 31.414 30.300 -0.917 0.000 1.165 194 R HN 0.600 nan 8.270 nan 0.000 0.474 195 L N 0.598 121.720 121.223 -0.168 0.000 2.342 195 L HA 0.555 4.894 4.340 -0.002 0.000 0.271 195 L C -0.866 175.978 176.870 -0.044 0.000 1.008 195 L CA -0.921 53.841 54.840 -0.130 0.000 0.818 195 L CB 1.999 43.972 42.059 -0.142 0.000 1.296 195 L HN 0.491 nan 8.230 nan 0.000 0.427 196 D N 0.860 121.187 120.400 -0.122 0.000 2.620 196 D HA 0.293 4.932 4.640 -0.002 0.000 0.252 196 D C -0.231 176.002 176.300 -0.111 0.000 1.207 196 D CA -0.382 53.618 54.000 0.000 0.000 0.884 196 D CB 1.418 42.251 40.800 0.055 0.000 1.262 196 D HN 0.269 nan 8.370 nan 0.000 0.552 197 F N 1.858 121.844 119.950 0.060 0.000 2.797 197 F HA 0.164 4.691 4.527 -0.000 0.000 0.302 197 F C 1.279 177.107 175.800 0.047 0.000 1.130 197 F CA -0.272 57.753 58.000 0.041 0.000 1.387 197 F CB -0.101 38.916 39.000 0.028 0.000 1.107 197 F HN 0.361 nan 8.300 nan 0.000 0.577 198 N N 1.889 120.702 118.700 0.189 0.000 2.714 198 N HA -0.299 4.440 4.740 -0.002 0.000 0.252 198 N C 0.107 175.705 175.510 0.145 0.000 1.014 198 N CA 1.194 54.324 53.050 0.134 0.000 0.735 198 N CB -1.359 37.172 38.487 0.073 0.000 0.924 198 N HN 0.561 nan 8.380 nan 0.000 0.540 199 Q N -4.173 115.734 119.800 0.178 0.000 2.439 199 Q HA -0.322 4.017 4.340 -0.002 0.000 0.247 199 Q C 1.038 177.124 176.000 0.144 0.000 0.899 199 Q CA 1.232 57.130 55.803 0.160 0.000 1.201 199 Q CB -1.629 27.193 28.738 0.139 0.000 1.608 199 Q HN 0.682 nan 8.270 nan 0.000 0.563 200 A N 0.045 122.960 122.820 0.158 0.000 2.119 200 A HA 0.156 4.475 4.320 -0.002 0.000 0.216 200 A C 0.958 178.597 177.584 0.092 0.000 1.152 200 A CA 0.283 52.397 52.037 0.128 0.000 0.708 200 A CB 0.198 19.285 19.000 0.146 0.000 0.805 200 A HN 0.314 nan 8.150 nan 0.000 0.460 201 L N 0.938 122.191 121.223 0.049 0.000 2.418 201 L HA 0.289 4.628 4.340 -0.002 0.000 0.265 201 L C 0.754 177.639 176.870 0.025 0.000 1.143 201 L CA -0.394 54.423 54.840 -0.038 0.000 0.809 201 L CB 1.178 43.089 42.059 -0.245 0.000 1.124 201 L HN 0.337 nan 8.230 nan 0.000 0.456 202 T N -1.974 112.596 114.554 0.026 0.000 2.929 202 T HA 0.320 4.669 4.350 -0.002 0.000 0.284 202 T C -2.016 172.722 174.700 0.063 0.000 1.014 202 T CA -1.949 60.177 62.100 0.043 0.000 1.051 202 T CB 1.719 70.623 68.868 0.059 0.000 1.028 202 T HN 0.300 nan 8.240 nan 0.000 0.485 203 P HA -0.042 nan 4.420 nan 0.000 0.216 203 P C 0.317 177.699 177.300 0.136 0.000 1.153 203 P CA 0.566 63.727 63.100 0.101 0.000 0.858 203 P CB -0.162 31.452 31.700 -0.145 0.000 0.789 204 F N 0.258 120.183 119.950 -0.041 0.000 2.571 204 F HA 0.329 4.855 4.527 -0.003 0.000 0.384 204 F C 1.549 177.328 175.800 -0.034 0.000 1.058 204 F CA 1.167 59.150 58.000 -0.029 0.000 1.200 204 F CB -0.270 38.708 39.000 -0.037 0.000 1.077 204 F HN 0.241 nan 8.300 nan 0.000 0.558 205 G N 3.608 112.213 108.800 -0.326 0.000 2.184 205 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.264 205 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.264 205 G C 1.043 175.839 174.900 -0.174 0.000 0.975 205 G CA 0.462 45.416 45.100 -0.242 0.000 0.642 205 G HN 1.287 nan 8.290 nan 0.000 0.536 206 A N -0.788 121.939 122.820 -0.154 0.000 1.969 206 A HA 0.299 4.618 4.320 -0.002 0.000 0.218 206 A C 2.206 179.557 177.584 -0.389 0.000 1.169 206 A CA 2.369 54.214 52.037 -0.321 0.000 0.635 206 A CB -0.288 18.457 19.000 -0.424 0.000 0.810 206 A HN 0.925 nan 8.150 nan 0.000 0.445 207 M N -0.274 119.180 119.600 -0.245 0.000 2.159 207 M HA -0.084 4.395 4.480 -0.002 0.000 0.263 207 M C 1.767 177.966 176.300 -0.168 0.000 1.063 207 M CA 1.506 56.687 55.300 -0.198 0.000 1.110 207 M CB -0.197 32.380 32.600 -0.040 0.000 1.374 207 M HN 0.152 nan 8.290 nan 0.000 0.411 208 K N 0.114 120.420 120.400 -0.156 0.000 2.097 208 K HA -0.074 4.245 4.320 -0.002 0.000 0.206 208 K C 1.950 178.471 176.600 -0.131 0.000 1.049 208 K CA 1.203 57.421 56.287 -0.115 0.000 0.933 208 K CB -0.667 31.769 32.500 -0.107 0.000 0.717 208 K HN 0.375 nan 8.250 nan 0.000 0.442 209 I N 1.348 121.763 120.570 -0.258 0.000 2.142 209 I HA -0.246 3.923 4.170 -0.002 0.000 0.240 209 I C 2.441 178.496 176.117 -0.104 0.000 1.078 209 I CA 1.237 62.332 61.300 -0.341 0.000 1.343 209 I CB -1.148 36.587 38.000 -0.442 0.000 1.046 209 I HN 0.077 nan 8.210 nan 0.000 0.405 210 L N 0.002 121.087 121.223 -0.229 0.000 2.083 210 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 210 L C 2.796 179.655 176.870 -0.017 0.000 1.083 210 L CA 1.178 55.922 54.840 -0.161 0.000 0.752 210 L CB -0.618 41.216 42.059 -0.374 0.000 0.899 210 L HN 0.234 nan 8.230 nan 0.000 0.433 211 R N 0.200 120.682 120.500 -0.031 0.000 2.096 211 R HA -0.170 4.169 4.340 -0.002 0.000 0.235 211 R C 1.812 178.154 176.300 0.069 0.000 1.127 211 R CA 1.653 57.762 56.100 0.014 0.000 0.968 211 R CB -0.076 30.221 30.300 -0.004 0.000 0.861 211 R HN 0.317 nan 8.270 nan 0.000 0.440 212 D N -0.084 120.393 120.400 0.127 0.000 2.117 212 D HA -0.149 4.490 4.640 -0.002 0.000 0.197 212 D C 1.852 178.320 176.300 0.280 0.000 0.987 212 D CA 1.709 55.833 54.000 0.207 0.000 0.829 212 D CB -0.102 40.917 40.800 0.365 0.000 0.961 212 D HN 0.305 nan 8.370 nan 0.000 0.460 213 V N -0.849 119.247 119.914 0.304 0.000 2.951 213 V HA -0.064 4.055 4.120 -0.002 0.000 0.255 213 V C 1.772 178.049 176.094 0.306 0.000 1.088 213 V CA 1.597 64.113 62.300 0.360 0.000 1.109 213 V CB -0.559 31.441 31.823 0.294 0.000 0.724 213 V HN -0.079 nan 8.190 nan 0.000 0.471 214 D N 1.633 122.143 120.400 0.183 0.000 2.265 214 D HA -0.132 4.507 4.640 -0.002 0.000 0.208 214 D C 1.974 178.312 176.300 0.064 0.000 0.977 214 D CA 1.467 55.536 54.000 0.115 0.000 0.871 214 D CB -0.124 40.718 40.800 0.070 0.000 0.925 214 D HN 0.571 nan 8.370 nan 0.000 0.485 215 A N -0.777 122.046 122.820 0.004 0.000 2.119 215 A HA -0.002 4.317 4.320 -0.002 0.000 0.217 215 A C 1.378 178.759 177.584 -0.338 0.000 1.153 215 A CA 0.488 52.403 52.037 -0.203 0.000 0.692 215 A CB -0.705 18.088 19.000 -0.345 0.000 0.799 215 A HN 0.352 nan 8.150 nan 0.000 0.458 216 F N -0.692 119.262 119.950 0.007 0.000 2.765 216 F HA 0.233 4.758 4.527 -0.002 0.000 0.302 216 F C 0.866 176.668 175.800 0.003 0.000 1.111 216 F CA 0.168 58.168 58.000 -0.000 0.000 1.359 216 F CB -0.050 38.944 39.000 -0.011 0.000 1.097 216 F HN 0.119 nan 8.300 nan 0.000 0.577 217 R N -0.588 119.983 120.500 0.119 0.000 3.336 217 R HA -0.148 4.191 4.340 -0.002 0.000 0.260 217 R C -2.628 173.719 176.300 0.078 0.000 1.032 217 R CA -0.059 56.087 56.100 0.078 0.000 0.693 217 R CB -2.292 28.037 30.300 0.048 0.000 1.134 217 R HN 0.171 nan 8.270 nan 0.000 0.433 218 P HA -0.009 nan 4.420 nan 0.000 0.269 218 P C 0.788 178.086 177.300 -0.003 0.000 1.215 218 P CA 0.070 63.183 63.100 0.021 0.000 0.780 218 P CB 0.617 32.325 31.700 0.015 0.000 0.898 219 T N 0.822 115.326 114.554 -0.084 0.000 2.788 219 T HA -0.002 4.347 4.350 -0.002 0.000 0.268 219 T C 0.627 175.344 174.700 0.029 0.000 1.044 219 T CA 1.613 63.672 62.100 -0.068 0.000 1.139 219 T CB -0.540 68.234 68.868 -0.156 0.000 0.867 219 T HN 0.646 nan 8.240 nan 0.000 0.454 220 F N -1.378 118.568 119.950 -0.007 0.000 2.713 220 F HA 0.670 5.197 4.527 -0.001 0.000 0.311 220 F C -1.966 173.845 175.800 0.017 0.000 1.141 220 F CA -2.442 55.557 58.000 -0.001 0.000 0.939 220 F CB 0.793 39.771 39.000 -0.037 0.000 1.325 220 F HN -0.234 nan 8.300 nan 0.000 0.453 221 I N 1.695 122.520 120.570 0.425 0.000 2.389 221 I HA 0.326 4.495 4.170 -0.002 0.000 0.288 221 I C -0.703 175.634 176.117 0.368 0.000 0.999 221 I CA -0.581 60.933 61.300 0.357 0.000 1.129 221 I CB 1.856 40.027 38.000 0.284 0.000 1.288 221 I HN 0.757 nan 8.210 nan 0.000 0.444 222 E N 6.135 126.560 120.200 0.375 0.000 2.200 222 E HA 0.118 4.467 4.350 -0.002 0.000 0.283 222 E C -0.188 176.550 176.600 0.230 0.000 1.015 222 E CA -0.629 55.919 56.400 0.246 0.000 0.819 222 E CB 0.770 30.628 29.700 0.264 0.000 1.081 222 E HN 0.470 nan 8.360 nan 0.000 0.397 223 Q N 4.452 124.351 119.800 0.165 0.000 2.394 223 Q HA -0.168 4.171 4.340 -0.002 0.000 0.369 223 Q C -1.887 174.234 176.000 0.201 0.000 1.312 223 Q CA 0.609 56.510 55.803 0.163 0.000 1.155 223 Q CB -0.057 28.760 28.738 0.131 0.000 1.311 223 Q HN 0.516 nan 8.270 nan 0.000 0.315 224 P HA -0.078 nan 4.420 nan 0.000 0.223 224 P C 0.317 177.677 177.300 0.100 0.000 1.151 224 P CA 1.442 64.594 63.100 0.087 0.000 0.787 224 P CB 0.096 31.669 31.700 -0.212 0.000 0.788 225 V N -5.996 114.037 119.914 0.198 0.000 3.074 225 V HA 0.684 4.803 4.120 -0.002 0.000 0.314 225 V C -3.033 173.198 176.094 0.228 0.000 1.117 225 V CA -3.296 59.144 62.300 0.233 0.000 1.014 225 V CB 1.307 33.322 31.823 0.321 0.000 1.057 225 V HN -0.315 nan 8.190 nan 0.000 0.438 226 P HA 0.207 nan 4.420 nan 0.000 0.271 226 P C 0.743 178.094 177.300 0.085 0.000 1.233 226 P CA -0.108 63.086 63.100 0.157 0.000 0.789 226 P CB 0.423 32.200 31.700 0.129 0.000 0.951 227 R N 1.612 122.148 120.500 0.059 0.000 2.119 227 R HA -0.262 4.077 4.340 -0.002 0.000 0.246 227 R C 1.835 178.109 176.300 -0.042 0.000 1.146 227 R CA 1.990 58.115 56.100 0.042 0.000 0.962 227 R CB -0.289 30.083 30.300 0.119 0.000 0.863 227 R HN 0.305 nan 8.270 nan 0.000 0.442 228 R N -0.244 120.150 120.500 -0.176 0.000 2.117 228 R HA -0.096 4.243 4.340 -0.002 0.000 0.243 228 R C 0.868 177.032 176.300 -0.226 0.000 1.143 228 R CA 1.418 57.355 56.100 -0.272 0.000 0.968 228 R CB -0.494 29.523 30.300 -0.472 0.000 0.863 228 R HN 0.380 nan 8.270 nan 0.000 0.444 229 H N 0.882 119.961 119.070 0.015 0.000 2.768 229 H HA 0.091 4.645 4.556 -0.004 0.000 0.219 229 H C 1.083 176.372 175.328 -0.065 0.000 1.898 229 H CA 0.039 56.075 56.048 -0.021 0.000 1.313 229 H CB -0.130 29.626 29.762 -0.010 0.000 1.701 229 H HN 0.181 nan 8.280 nan 0.000 0.534 230 L N -0.173 121.062 121.223 0.021 0.000 2.072 230 L HA -0.137 4.202 4.340 -0.002 0.000 0.205 230 L C 1.767 178.602 176.870 -0.058 0.000 1.079 230 L CA 0.920 55.749 54.840 -0.018 0.000 0.752 230 L CB 0.094 42.144 42.059 -0.014 0.000 0.906 230 L HN 0.264 nan 8.230 nan 0.000 0.436 231 D N 0.193 120.563 120.400 -0.050 0.000 2.117 231 D HA -0.169 4.470 4.640 -0.002 0.000 0.197 231 D C 2.181 178.364 176.300 -0.195 0.000 0.987 231 D CA 1.483 55.431 54.000 -0.087 0.000 0.829 231 D CB 0.023 40.792 40.800 -0.052 0.000 0.961 231 D HN 0.309 nan 8.370 nan 0.000 0.460 232 A N 0.948 123.625 122.820 -0.238 0.000 1.877 232 A HA -0.168 4.151 4.320 -0.002 0.000 0.216 232 A C 2.211 179.185 177.584 -1.017 0.000 1.186 232 A CA 1.323 53.015 52.037 -0.576 0.000 0.620 232 A CB -0.426 18.310 19.000 -0.439 0.000 0.822 232 A HN 0.099 nan 8.150 nan 0.000 0.443 233 M N -0.435 118.851 119.600 -0.522 0.000 2.108 233 M HA -0.167 4.312 4.480 -0.002 0.000 0.261 233 M C 2.527 178.707 176.300 -0.199 0.000 1.066 233 M CA 1.688 56.816 55.300 -0.288 0.000 1.107 233 M CB -1.341 31.233 32.600 -0.043 0.000 1.356 233 M HN 0.513 nan 8.290 nan 0.000 0.406 234 A N 0.233 122.950 122.820 -0.173 0.000 1.902 234 A HA -0.006 4.313 4.320 -0.002 0.000 0.217 234 A C 2.418 179.940 177.584 -0.104 0.000 1.181 234 A CA 1.915 53.894 52.037 -0.096 0.000 0.623 234 A CB -1.441 17.517 19.000 -0.070 0.000 0.818 234 A HN 0.512 nan 8.150 nan 0.000 0.443 235 G N -0.536 108.143 108.800 -0.202 0.000 2.476 235 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.218 235 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.218 235 G C 1.307 176.196 174.900 -0.018 0.000 1.164 235 G CA 1.330 46.337 45.100 -0.155 0.000 0.768 235 G HN 0.404 nan 8.290 nan 0.000 0.560 236 F N 1.849 121.794 119.950 -0.009 0.000 2.102 236 F HA 0.071 4.600 4.527 0.004 0.000 0.298 236 F C 3.074 178.876 175.800 0.004 0.000 1.105 236 F CA 0.300 58.294 58.000 -0.010 0.000 1.239 236 F CB -1.291 37.701 39.000 -0.014 0.000 0.991 236 F HN 0.270 nan 8.300 nan 0.000 0.474 237 A N 0.241 123.163 122.820 0.171 0.000 1.908 237 A HA -0.064 4.255 4.320 -0.002 0.000 0.218 237 A C 2.475 180.103 177.584 0.074 0.000 1.181 237 A CA 2.097 54.198 52.037 0.106 0.000 0.627 237 A CB -1.335 17.703 19.000 0.064 0.000 0.818 237 A HN 0.318 nan 8.150 nan 0.000 0.445 238 A N -0.449 122.402 122.820 0.051 0.000 1.933 238 A HA 0.193 4.512 4.320 -0.002 0.000 0.218 238 A C 2.402 180.013 177.584 0.045 0.000 1.175 238 A CA 2.013 54.071 52.037 0.036 0.000 0.628 238 A CB -0.780 18.229 19.000 0.014 0.000 0.814 238 A HN 1.067 nan 8.150 nan 0.000 0.444 239 A N -1.226 121.633 122.820 0.066 0.000 2.072 239 A HA 0.449 4.768 4.320 -0.002 0.000 0.216 239 A C 0.817 178.435 177.584 0.056 0.000 1.156 239 A CA 0.274 52.346 52.037 0.059 0.000 0.701 239 A CB -0.170 18.875 19.000 0.074 0.000 0.816 239 A HN 0.399 nan 8.150 nan 0.000 0.458 240 L N -0.270 120.995 121.223 0.071 0.000 2.329 240 L HA 0.344 4.683 4.340 -0.002 0.000 0.279 240 L C 0.104 177.009 176.870 0.058 0.000 1.014 240 L CA -0.905 53.972 54.840 0.062 0.000 0.814 240 L CB 1.599 43.701 42.059 0.072 0.000 1.257 240 L HN 0.036 nan 8.230 nan 0.000 0.424 241 D N 0.311 120.739 120.400 0.047 0.000 2.117 241 D HA -0.083 4.556 4.640 -0.002 0.000 0.197 241 D C 0.588 176.924 176.300 0.059 0.000 0.987 241 D CA 1.166 55.194 54.000 0.045 0.000 0.829 241 D CB -0.029 40.791 40.800 0.034 0.000 0.961 241 D HN 0.498 nan 8.370 nan 0.000 0.460 242 T N 3.094 117.689 114.554 0.069 0.000 2.871 242 T HA 0.105 4.454 4.350 -0.002 0.000 0.296 242 T C -2.352 172.412 174.700 0.107 0.000 0.998 242 T CA -0.812 61.342 62.100 0.089 0.000 1.162 242 T CB 0.897 69.826 68.868 0.101 0.000 0.947 242 T HN -0.064 nan 8.240 nan 0.000 0.536 243 P HA 0.143 nan 4.420 nan 0.000 0.268 243 P C -0.387 177.003 177.300 0.150 0.000 1.204 243 P CA -0.248 62.927 63.100 0.125 0.000 0.768 243 P CB 0.354 32.140 31.700 0.143 0.000 0.842 244 I N 4.477 125.114 120.570 0.112 0.000 2.331 244 I HA 0.228 4.397 4.170 -0.002 0.000 0.292 244 I C 0.035 176.170 176.117 0.030 0.000 0.998 244 I CA -0.745 60.623 61.300 0.113 0.000 1.267 244 I CB 1.021 39.102 38.000 0.136 0.000 1.386 244 I HN 0.223 nan 8.210 nan 0.000 0.476 245 L N 7.022 128.228 121.223 -0.029 0.000 2.307 245 L HA 0.692 5.031 4.340 -0.002 0.000 0.284 245 L C -0.172 176.644 176.870 -0.090 0.000 1.023 245 L CA -0.564 54.161 54.840 -0.191 0.000 0.810 245 L CB 1.132 42.811 42.059 -0.634 0.000 1.231 245 L HN 0.656 nan 8.230 nan 0.000 0.423 246 A N 3.757 126.527 122.820 -0.083 0.000 2.328 246 A HA 0.477 4.796 4.320 -0.002 0.000 0.284 246 A C 0.149 177.685 177.584 -0.080 0.000 1.160 246 A CA -0.314 51.689 52.037 -0.056 0.000 0.818 246 A CB 0.473 19.437 19.000 -0.060 0.000 1.087 246 A HN 0.866 nan 8.150 nan 0.000 0.504 247 D N 1.035 121.401 120.400 -0.057 0.000 3.061 247 D HA 0.030 4.669 4.640 -0.002 0.000 0.243 247 D C 1.295 177.442 176.300 -0.255 0.000 1.572 247 D CA 0.552 54.509 54.000 -0.073 0.000 1.269 247 D CB -0.080 40.771 40.800 0.085 0.000 1.023 247 D HN 0.448 nan 8.370 nan 0.000 0.280 248 E N 0.058 120.171 120.200 -0.144 0.000 2.265 248 E HA 0.008 4.357 4.350 -0.002 0.000 0.196 248 E C 1.932 178.356 176.600 -0.294 0.000 0.996 248 E CA 0.629 56.859 56.400 -0.283 0.000 0.832 248 E CB -0.078 29.705 29.700 0.138 0.000 0.756 248 E HN 0.064 nan 8.360 nan 0.000 0.491 249 S N -0.677 114.935 115.700 -0.147 0.000 2.507 249 S HA -0.055 4.414 4.470 -0.002 0.000 0.235 249 S C 0.572 175.095 174.600 -0.128 0.000 0.988 249 S CA 0.380 58.531 58.200 -0.082 0.000 0.944 249 S CB -0.034 63.147 63.200 -0.032 0.000 0.762 249 S HN 0.333 nan 8.310 nan 0.000 0.526 250 C N 1.022 120.156 119.300 -0.277 0.000 2.801 250 C HA 0.544 5.003 4.460 -0.002 0.000 0.296 250 C C 0.573 175.355 174.990 -0.347 0.000 1.054 250 C CA -1.030 57.860 59.018 -0.212 0.000 1.442 250 C CB -1.636 26.024 27.740 -0.135 0.000 1.860 250 C HN 0.491 nan 8.230 nan 0.000 0.459 251 F N 2.092 122.004 119.950 -0.062 0.000 2.446 251 F HA 0.208 4.734 4.527 -0.002 0.000 0.292 251 F C 1.295 177.032 175.800 -0.104 0.000 1.096 251 F CA 0.646 58.575 58.000 -0.118 0.000 1.438 251 F CB 0.279 39.212 39.000 -0.112 0.000 1.107 251 F HN 0.622 nan 8.300 nan 0.000 0.546 252 D N -1.774 118.686 120.400 0.100 0.000 2.752 252 D HA 0.394 5.033 4.640 -0.002 0.000 0.313 252 D C 0.712 177.025 176.300 0.021 0.000 1.225 252 D CA -0.218 53.811 54.000 0.047 0.000 0.976 252 D CB 0.680 41.509 40.800 0.049 0.000 1.443 252 D HN -0.100 nan 8.370 nan 0.000 0.515 253 A N -0.183 122.643 122.820 0.011 0.000 1.933 253 A HA -0.026 4.293 4.320 -0.002 0.000 0.218 253 A C 2.132 179.721 177.584 0.007 0.000 1.175 253 A CA 1.973 54.012 52.037 0.004 0.000 0.628 253 A CB -0.986 18.015 19.000 0.002 0.000 0.814 253 A HN 0.368 nan 8.150 nan 0.000 0.444 254 V N 0.812 120.733 119.914 0.012 0.000 2.287 254 V HA -0.274 3.845 4.120 -0.002 0.000 0.248 254 V C 2.179 178.283 176.094 0.015 0.000 1.053 254 V CA 2.346 64.653 62.300 0.012 0.000 1.027 254 V CB -0.862 30.969 31.823 0.013 0.000 0.646 254 V HN 0.505 nan 8.190 nan 0.000 0.447 255 D N -0.131 120.285 120.400 0.027 0.000 2.117 255 D HA -0.155 4.484 4.640 -0.002 0.000 0.197 255 D C 1.970 178.272 176.300 0.004 0.000 0.987 255 D CA 1.175 55.189 54.000 0.025 0.000 0.829 255 D CB -0.346 40.479 40.800 0.042 0.000 0.961 255 D HN 0.359 nan 8.370 nan 0.000 0.460 256 L N 0.446 121.667 121.223 -0.002 0.000 2.046 256 L HA -0.121 4.218 4.340 -0.002 0.000 0.208 256 L C 2.070 178.936 176.870 -0.006 0.000 1.077 256 L CA 1.467 56.300 54.840 -0.011 0.000 0.747 256 L CB -0.479 41.572 42.059 -0.013 0.000 0.896 256 L HN -0.074 nan 8.230 nan 0.000 0.432 257 M N -0.798 118.801 119.600 -0.002 0.000 2.149 257 M HA -0.214 4.265 4.480 -0.002 0.000 0.261 257 M C 2.232 178.531 176.300 -0.002 0.000 1.064 257 M CA 1.583 56.882 55.300 -0.001 0.000 1.102 257 M CB -1.110 31.490 32.600 0.000 0.000 1.369 257 M HN 0.361 nan 8.290 nan 0.000 0.408 258 E N 0.126 120.326 120.200 -0.001 0.000 2.107 258 E HA -0.067 4.282 4.350 -0.002 0.000 0.191 258 E C 1.987 178.584 176.600 -0.005 0.000 0.982 258 E CA 0.773 57.172 56.400 -0.001 0.000 0.809 258 E CB -0.081 29.620 29.700 0.002 0.000 0.756 258 E HN 0.222 nan 8.360 nan 0.000 0.459 259 V N -0.174 119.736 119.914 -0.007 0.000 2.295 259 V HA -0.254 3.865 4.120 -0.002 0.000 0.246 259 V C 2.325 178.414 176.094 -0.009 0.000 1.049 259 V CA 1.635 63.929 62.300 -0.011 0.000 1.024 259 V CB -0.442 31.370 31.823 -0.017 0.000 0.648 259 V HN 0.183 nan 8.190 nan 0.000 0.447 260 V N -0.016 119.893 119.914 -0.007 0.000 2.295 260 V HA -0.281 3.838 4.120 -0.002 0.000 0.246 260 V C 2.545 178.637 176.094 -0.004 0.000 1.049 260 V CA 2.459 64.756 62.300 -0.005 0.000 1.024 260 V CB -0.816 31.005 31.823 -0.003 0.000 0.648 260 V HN 0.502 nan 8.190 nan 0.000 0.447 261 R N 0.002 120.499 120.500 -0.004 0.000 2.096 261 R HA -0.129 4.210 4.340 -0.002 0.000 0.235 261 R C 2.245 178.542 176.300 -0.006 0.000 1.127 261 R CA 1.291 57.388 56.100 -0.004 0.000 0.968 261 R CB -0.037 30.261 30.300 -0.003 0.000 0.861 261 R HN 0.347 nan 8.270 nan 0.000 0.440 262 R N 0.415 120.910 120.500 -0.008 0.000 2.300 262 R HA 0.061 4.400 4.340 -0.002 0.000 0.199 262 R C 0.098 176.390 176.300 -0.013 0.000 0.920 262 R CA 0.191 56.284 56.100 -0.012 0.000 1.046 262 R CB 0.158 30.448 30.300 -0.016 0.000 0.984 262 R HN 0.369 nan 8.270 nan 0.000 0.493 263 Q N -0.527 119.268 119.800 -0.008 0.000 2.451 263 Q HA -0.207 4.132 4.340 -0.002 0.000 0.305 263 Q C 0.509 176.504 176.000 -0.007 0.000 1.345 263 Q CA 0.485 56.285 55.803 -0.005 0.000 0.854 263 Q CB -1.424 27.313 28.738 -0.002 0.000 1.162 263 Q HN 0.398 nan 8.270 nan 0.000 0.440 264 A N -0.806 122.008 122.820 -0.011 0.000 2.218 264 A HA 0.546 4.865 4.320 -0.002 0.000 0.209 264 A C 0.741 178.325 177.584 0.000 0.000 1.168 264 A CA 0.987 53.015 52.037 -0.016 0.000 0.804 264 A CB 0.523 19.510 19.000 -0.022 0.000 0.834 264 A HN 0.723 nan 8.150 nan 0.000 0.482 265 A N -1.244 121.577 122.820 0.003 0.000 2.612 265 A HA 0.559 4.877 4.320 -0.002 0.000 0.293 265 A C -0.771 176.816 177.584 0.005 0.000 1.075 265 A CA -0.286 51.755 52.037 0.008 0.000 0.680 265 A CB 0.439 19.432 19.000 -0.011 0.000 1.279 265 A HN 0.012 nan 8.150 nan 0.000 0.411 266 D N 0.071 120.475 120.400 0.007 0.000 2.379 266 D HA 0.437 5.076 4.640 -0.002 0.000 0.208 266 D C 0.468 176.762 176.300 -0.010 0.000 1.065 266 D CA 1.410 55.416 54.000 0.010 0.000 0.848 266 D CB 1.066 41.887 40.800 0.034 0.000 0.949 266 D HN 0.919 nan 8.370 nan 0.000 0.509 267 A N 0.879 123.670 122.820 -0.048 0.000 2.608 267 A HA 0.620 4.939 4.320 -0.002 0.000 0.292 267 A C -1.407 176.109 177.584 -0.114 0.000 1.066 267 A CA -0.859 51.127 52.037 -0.084 0.000 0.676 267 A CB 1.124 20.036 19.000 -0.146 0.000 1.277 267 A HN 0.114 nan 8.150 nan 0.000 0.413 268 I N -1.088 119.426 120.570 -0.093 0.000 2.730 268 I HA 0.818 4.987 4.170 -0.002 0.000 0.298 268 I C -0.152 175.936 176.117 -0.049 0.000 1.089 268 I CA -0.672 60.578 61.300 -0.084 0.000 1.041 268 I CB 2.527 40.489 38.000 -0.064 0.000 1.235 268 I HN 0.650 nan 8.210 nan 0.000 0.423 269 S N 4.229 119.908 115.700 -0.035 0.000 2.499 269 S HA 0.608 5.077 4.470 -0.002 0.000 0.279 269 S C -0.083 174.484 174.600 -0.055 0.000 1.219 269 S CA -0.642 57.575 58.200 0.029 0.000 1.062 269 S CB 1.364 64.632 63.200 0.113 0.000 0.978 269 S HN 0.947 nan 8.310 nan 0.000 0.489 270 V N 0.423 120.303 119.914 -0.056 0.000 2.383 270 V HA 0.659 4.778 4.120 -0.002 0.000 0.275 270 V C -0.676 175.363 176.094 -0.091 0.000 1.036 270 V CA -0.734 61.523 62.300 -0.072 0.000 0.889 270 V CB 0.470 32.267 31.823 -0.043 0.000 0.985 270 V HN 0.756 nan 8.190 nan 0.000 0.459 271 K N 5.109 125.431 120.400 -0.130 0.000 2.347 271 K HA 0.547 4.866 4.320 -0.002 0.000 0.262 271 K C 0.481 177.023 176.600 -0.096 0.000 1.052 271 K CA -0.590 55.598 56.287 -0.164 0.000 0.946 271 K CB 1.272 33.542 32.500 -0.383 0.000 1.220 271 K HN 0.637 nan 8.250 nan 0.000 0.450 272 I N 1.999 122.546 120.570 -0.039 0.000 2.151 272 I HA -0.308 3.861 4.170 -0.002 0.000 0.243 272 I C 1.679 177.786 176.117 -0.017 0.000 1.080 272 I CA 1.882 63.174 61.300 -0.012 0.000 1.339 272 I CB -0.298 37.714 38.000 0.019 0.000 1.039 272 I HN 0.693 nan 8.210 nan 0.000 0.409 273 M N -0.524 119.065 119.600 -0.018 0.000 2.334 273 M HA -0.103 4.376 4.480 -0.002 0.000 0.266 273 M C 2.450 178.711 176.300 -0.065 0.000 1.082 273 M CA 1.511 56.800 55.300 -0.018 0.000 1.141 273 M CB -0.304 32.305 32.600 0.016 0.000 1.380 273 M HN 0.238 nan 8.290 nan 0.000 0.440 274 K N 0.149 120.461 120.400 -0.148 0.000 2.057 274 K HA -0.171 4.148 4.320 -0.002 0.000 0.207 274 K C 1.913 178.477 176.600 -0.060 0.000 1.049 274 K CA 1.816 58.002 56.287 -0.168 0.000 0.931 274 K CB -2.038 30.332 32.500 -0.216 0.000 0.714 274 K HN 0.790 nan 8.250 nan 0.000 0.440 275 C N -2.276 116.999 119.300 -0.042 0.000 2.514 275 C HA 0.532 4.991 4.460 -0.002 0.000 0.271 275 C C 1.886 176.867 174.990 -0.015 0.000 1.399 275 C CA 0.309 59.319 59.018 -0.015 0.000 1.765 275 C CB -0.676 27.053 27.740 -0.018 0.000 1.893 275 C HN 1.317 nan 8.230 nan 0.000 0.531 276 G N -0.423 108.366 108.800 -0.018 0.000 2.151 276 G HA2 0.452 4.411 3.960 -0.002 0.000 0.156 276 G HA3 0.452 4.411 3.960 -0.002 0.000 0.156 276 G C 0.599 175.500 174.900 0.002 0.000 1.017 276 G CA 0.173 45.268 45.100 -0.007 0.000 0.686 276 G HN 2.453 nan 8.290 nan 0.000 0.503 277 G N -1.723 107.079 108.800 0.003 0.000 2.373 277 G HA2 0.161 4.120 3.960 -0.002 0.000 0.634 277 G HA3 0.161 4.120 3.960 -0.002 0.000 0.634 277 G C 0.697 175.603 174.900 0.011 0.000 1.267 277 G CA -0.104 45.003 45.100 0.012 0.000 1.008 277 G HN 0.966 nan 8.290 nan 0.000 0.497 278 L N 0.022 121.255 121.223 0.016 0.000 2.044 278 L HA 0.090 4.429 4.340 -0.002 0.000 0.205 278 L C 3.280 180.156 176.870 0.011 0.000 1.075 278 L CA 1.733 56.583 54.840 0.016 0.000 0.747 278 L CB -0.389 41.683 42.059 0.021 0.000 0.903 278 L HN 0.599 nan 8.230 nan 0.000 0.435 279 M N -0.510 119.097 119.600 0.012 0.000 2.132 279 M HA -0.157 4.322 4.480 -0.002 0.000 0.263 279 M C 2.284 178.588 176.300 0.006 0.000 1.065 279 M CA 1.467 56.773 55.300 0.010 0.000 1.122 279 M CB -0.282 32.325 32.600 0.011 0.000 1.365 279 M HN 0.081 nan 8.290 nan 0.000 0.411 280 K N 0.463 120.866 120.400 0.005 0.000 2.097 280 K HA -0.051 4.268 4.320 -0.002 0.000 0.206 280 K C 2.040 178.640 176.600 -0.001 0.000 1.049 280 K CA 1.563 57.851 56.287 0.002 0.000 0.933 280 K CB -0.649 31.852 32.500 0.000 0.000 0.717 280 K HN 0.329 nan 8.250 nan 0.000 0.442 281 A N 1.568 124.387 122.820 -0.002 0.000 1.933 281 A HA -0.185 4.134 4.320 -0.002 0.000 0.218 281 A C 2.150 179.733 177.584 -0.002 0.000 1.175 281 A CA 1.281 53.315 52.037 -0.005 0.000 0.628 281 A CB -0.353 18.643 19.000 -0.006 0.000 0.814 281 A HN 0.362 nan 8.150 nan 0.000 0.444 282 Q N -0.400 119.401 119.800 0.002 0.000 2.172 282 Q HA -0.079 4.260 4.340 -0.002 0.000 0.200 282 Q C 2.365 178.367 176.000 0.002 0.000 0.964 282 Q CA 1.445 57.249 55.803 0.003 0.000 0.855 282 Q CB -0.122 28.619 28.738 0.005 0.000 0.918 282 Q HN 0.666 nan 8.270 nan 0.000 0.444 283 S N 1.455 117.156 115.700 0.002 0.000 2.368 283 S HA -0.125 4.344 4.470 -0.002 0.000 0.224 283 S C 1.885 176.485 174.600 -0.000 0.000 1.029 283 S CA 0.738 58.939 58.200 0.002 0.000 0.988 283 S CB -0.289 62.912 63.200 0.002 0.000 0.838 283 S HN 0.353 nan 8.310 nan 0.000 0.462 284 L N 1.073 122.295 121.223 -0.002 0.000 1.990 284 L HA -0.159 4.180 4.340 -0.002 0.000 0.213 284 L C 2.153 179.020 176.870 -0.005 0.000 1.072 284 L CA 1.491 56.328 54.840 -0.005 0.000 0.755 284 L CB -0.286 41.767 42.059 -0.010 0.000 0.889 284 L HN 0.279 nan 8.230 nan 0.000 0.432 285 M N -0.536 119.062 119.600 -0.003 0.000 2.374 285 M HA -0.103 4.376 4.480 -0.002 0.000 0.264 285 M C 2.365 178.666 176.300 0.002 0.000 1.067 285 M CA 1.414 56.714 55.300 -0.000 0.000 1.103 285 M CB -1.478 31.124 32.600 0.002 0.000 1.402 285 M HN 0.463 nan 8.290 nan 0.000 0.444 286 A N 0.485 123.306 122.820 0.002 0.000 1.930 286 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 286 A C 2.236 179.821 177.584 0.002 0.000 1.175 286 A CA 1.192 53.231 52.037 0.003 0.000 0.627 286 A CB -0.677 18.325 19.000 0.003 0.000 0.815 286 A HN 0.441 nan 8.150 nan 0.000 0.443 287 I N -0.226 120.345 120.570 0.001 0.000 2.179 287 I HA -0.270 3.899 4.170 -0.002 0.000 0.242 287 I C 2.966 179.083 176.117 0.000 0.000 1.088 287 I CA 1.140 62.440 61.300 0.000 0.000 1.357 287 I CB -0.338 37.661 38.000 -0.001 0.000 1.051 287 I HN 0.341 nan 8.210 nan 0.000 0.409 288 A N 0.440 123.260 122.820 -0.001 0.000 1.898 288 A HA -0.220 4.099 4.320 -0.002 0.000 0.216 288 A C 1.942 179.528 177.584 0.003 0.000 1.181 288 A CA 1.991 54.027 52.037 -0.001 0.000 0.620 288 A CB -0.586 18.412 19.000 -0.004 0.000 0.819 288 A HN 0.334 nan 8.150 nan 0.000 0.442 289 D N -0.291 120.113 120.400 0.005 0.000 2.104 289 D HA -0.103 4.536 4.640 -0.002 0.000 0.194 289 D C 2.047 178.351 176.300 0.007 0.000 0.994 289 D CA 1.950 55.955 54.000 0.008 0.000 0.830 289 D CB -0.824 39.981 40.800 0.008 0.000 0.959 289 D HN 0.405 nan 8.370 nan 0.000 0.452 290 T N 0.438 114.995 114.554 0.006 0.000 2.759 290 T HA -0.113 4.236 4.350 -0.002 0.000 0.269 290 T C 1.849 176.552 174.700 0.005 0.000 1.042 290 T CA 1.501 63.604 62.100 0.005 0.000 1.140 290 T CB -0.225 68.645 68.868 0.004 0.000 0.864 290 T HN 0.211 nan 8.240 nan 0.000 0.455 291 A N 0.285 123.108 122.820 0.004 0.000 2.208 291 A HA 0.506 4.825 4.320 -0.002 0.000 0.209 291 A C 1.887 179.475 177.584 0.006 0.000 1.161 291 A CA 0.796 52.835 52.037 0.004 0.000 0.782 291 A CB -0.723 18.278 19.000 0.001 0.000 0.816 291 A HN 0.785 nan 8.150 nan 0.000 0.477 292 G N -0.946 107.859 108.800 0.008 0.000 2.160 292 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.244 292 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.244 292 G C -0.099 174.808 174.900 0.012 0.000 1.022 292 G CA 0.286 45.392 45.100 0.012 0.000 0.741 292 G HN 0.496 nan 8.290 nan 0.000 0.508 293 L N 0.944 122.172 121.223 0.008 0.000 2.276 293 L HA 0.395 4.734 4.340 -0.002 0.000 0.286 293 L C -1.958 174.916 176.870 0.006 0.000 1.024 293 L CA -2.193 52.649 54.840 0.003 0.000 0.826 293 L CB 1.445 43.501 42.059 -0.006 0.000 1.211 293 L HN -0.105 nan 8.230 nan 0.000 0.422 294 P HA 0.151 nan 4.420 nan 0.000 0.272 294 P C 0.028 177.340 177.300 0.019 0.000 1.223 294 P CA -0.168 62.948 63.100 0.027 0.000 0.784 294 P CB 0.870 32.599 31.700 0.047 0.000 0.923 295 G N 0.609 109.432 108.800 0.039 0.000 2.410 295 G HA2 0.502 4.461 3.960 -0.002 0.000 0.330 295 G HA3 0.502 4.461 3.960 -0.002 0.000 0.330 295 G C -1.970 173.009 174.900 0.130 0.000 1.142 295 G CA -0.212 44.918 45.100 0.050 0.000 0.902 295 G HN 0.409 nan 8.290 nan 0.000 0.491 296 Y N 0.428 120.703 120.300 -0.041 0.000 2.446 296 Y HA 0.543 5.092 4.550 -0.002 0.000 0.345 296 Y C 1.075 176.981 175.900 0.011 0.000 0.984 296 Y CA -0.753 57.346 58.100 -0.002 0.000 1.058 296 Y CB 2.238 40.666 38.460 -0.052 0.000 1.220 296 Y HN 0.581 nan 8.280 nan 0.000 0.455 297 G N 2.448 111.018 108.800 -0.385 0.000 2.598 297 G HA2 0.317 4.276 3.960 -0.002 0.000 0.215 297 G HA3 0.317 4.276 3.960 -0.002 0.000 0.215 297 G C 0.774 175.444 174.900 -0.384 0.000 1.131 297 G CA 0.617 45.529 45.100 -0.313 0.000 0.785 297 G HN 1.502 nan 8.290 nan 0.000 0.539 298 G N -0.464 107.863 108.800 -0.788 0.000 2.525 298 G HA2 -0.052 3.907 3.960 -0.002 0.000 0.248 298 G HA3 -0.052 3.907 3.960 -0.002 0.000 0.248 298 G C 0.289 175.125 174.900 -0.106 0.000 1.238 298 G CA 0.505 45.418 45.100 -0.311 0.000 0.926 298 G HN 1.305 nan 8.290 nan 0.000 0.574 299 T N -0.338 114.334 114.554 0.196 0.000 2.762 299 T HA 0.646 4.995 4.350 -0.002 0.000 0.303 299 T C 0.376 175.306 174.700 0.383 0.000 0.977 299 T CA -0.521 61.779 62.100 0.333 0.000 0.961 299 T CB 0.673 69.843 68.868 0.503 0.000 0.944 299 T HN 0.708 nan 8.240 nan 0.000 0.481 300 L N 4.047 125.465 121.223 0.325 0.000 2.305 300 L HA 0.369 4.708 4.340 -0.002 0.000 0.281 300 L C 0.661 177.785 176.870 0.424 0.000 1.085 300 L CA -1.130 53.909 54.840 0.332 0.000 0.813 300 L CB 0.879 43.109 42.059 0.285 0.000 1.157 300 L HN 0.708 nan 8.230 nan 0.000 0.436 301 W N 4.275 125.639 121.300 0.107 0.000 2.216 301 W HA 0.058 4.717 4.660 -0.002 0.000 0.326 301 W C 0.391 176.902 176.519 -0.012 0.000 1.319 301 W CA -0.568 56.769 57.345 -0.014 0.000 1.213 301 W CB 0.914 30.292 29.460 -0.138 0.000 1.171 301 W HN 0.728 nan 8.180 nan 0.000 0.557 302 E N 3.154 122.814 120.200 -0.900 0.000 2.358 302 E HA 0.008 4.357 4.350 -0.002 0.000 0.195 302 E C 1.449 177.429 176.600 -1.033 0.000 1.010 302 E CA 0.118 55.946 56.400 -0.954 0.000 0.856 302 E CB -0.073 29.091 29.700 -0.892 0.000 0.795 302 E HN 0.536 nan 8.360 nan 0.000 0.504 303 G N 0.321 108.122 108.800 -1.664 0.000 2.225 303 G HA2 0.024 3.983 3.960 -0.002 0.000 0.245 303 G HA3 0.024 3.983 3.960 -0.002 0.000 0.245 303 G C 0.966 175.648 174.900 -0.363 0.000 1.249 303 G CA 0.132 44.763 45.100 -0.781 0.000 0.919 303 G HN 0.254 nan 8.290 nan 0.000 0.486 304 G N 2.097 110.746 108.800 -0.251 0.000 2.450 304 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.220 304 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.220 304 G C 1.612 176.457 174.900 -0.092 0.000 1.130 304 G CA 0.929 45.922 45.100 -0.178 0.000 0.760 304 G HN 0.641 nan 8.290 nan 0.000 0.557 305 I N 1.000 121.543 120.570 -0.045 0.000 2.233 305 I HA -0.048 4.121 4.170 -0.002 0.000 0.243 305 I C 3.232 179.391 176.117 0.070 0.000 1.093 305 I CA 0.897 62.213 61.300 0.026 0.000 1.380 305 I CB -0.220 37.828 38.000 0.081 0.000 1.067 305 I HN 0.213 nan 8.210 nan 0.000 0.413 306 A N 0.723 123.608 122.820 0.109 0.000 1.969 306 A HA -0.172 4.147 4.320 -0.002 0.000 0.218 306 A C 2.230 179.874 177.584 0.099 0.000 1.169 306 A CA 1.270 53.396 52.037 0.147 0.000 0.635 306 A CB -0.649 18.526 19.000 0.292 0.000 0.810 306 A HN 0.375 nan 8.150 nan 0.000 0.445 307 L N -0.280 120.964 121.223 0.036 0.000 2.093 307 L HA 0.013 4.352 4.340 -0.002 0.000 0.208 307 L C 2.611 179.505 176.870 0.039 0.000 1.085 307 L CA 2.007 56.864 54.840 0.029 0.000 0.755 307 L CB -0.821 41.204 42.059 -0.056 0.000 0.904 307 L HN 0.323 nan 8.230 nan 0.000 0.435 308 A N -0.324 122.507 122.820 0.020 0.000 1.877 308 A HA -0.125 4.194 4.320 -0.002 0.000 0.216 308 A C 2.474 180.081 177.584 0.038 0.000 1.186 308 A CA 1.916 53.967 52.037 0.023 0.000 0.620 308 A CB -1.220 17.788 19.000 0.013 0.000 0.822 308 A HN 0.566 nan 8.150 nan 0.000 0.443 309 A N -0.523 122.327 122.820 0.050 0.000 1.883 309 A HA 0.079 4.398 4.320 -0.002 0.000 0.217 309 A C 2.435 180.048 177.584 0.048 0.000 1.186 309 A CA 2.072 54.141 52.037 0.053 0.000 0.624 309 A CB -1.433 17.606 19.000 0.066 0.000 0.822 309 A HN 0.767 nan 8.150 nan 0.000 0.444 310 G N -1.468 107.367 108.800 0.058 0.000 2.408 310 G HA2 -0.110 3.849 3.960 -0.002 0.000 0.217 310 G HA3 -0.110 3.849 3.960 -0.002 0.000 0.217 310 G C 1.554 176.479 174.900 0.041 0.000 1.150 310 G CA 1.599 46.731 45.100 0.053 0.000 0.776 310 G HN 0.435 nan 8.290 nan 0.000 0.542 311 T N 0.866 115.448 114.554 0.047 0.000 2.777 311 T HA -0.087 4.262 4.350 -0.002 0.000 0.266 311 T C 2.518 177.234 174.700 0.026 0.000 1.040 311 T CA 1.244 63.368 62.100 0.039 0.000 1.141 311 T CB -0.125 68.771 68.868 0.047 0.000 0.868 311 T HN 0.180 nan 8.240 nan 0.000 0.444 312 Q N 0.598 120.413 119.800 0.025 0.000 2.050 312 Q HA -0.048 4.291 4.340 -0.002 0.000 0.202 312 Q C 2.478 178.488 176.000 0.016 0.000 0.980 312 Q CA 1.025 56.840 55.803 0.019 0.000 0.840 312 Q CB -0.827 27.922 28.738 0.019 0.000 0.898 312 Q HN 0.414 nan 8.270 nan 0.000 0.424 313 L N 0.758 121.992 121.223 0.019 0.000 1.990 313 L HA -0.188 4.151 4.340 -0.002 0.000 0.213 313 L C 2.199 179.076 176.870 0.011 0.000 1.072 313 L CA 1.688 56.537 54.840 0.015 0.000 0.755 313 L CB -0.544 41.525 42.059 0.016 0.000 0.889 313 L HN 0.128 nan 8.230 nan 0.000 0.432 314 I N -0.382 120.194 120.570 0.011 0.000 2.315 314 I HA -0.246 3.923 4.170 -0.002 0.000 0.248 314 I C 2.609 178.731 176.117 0.009 0.000 1.117 314 I CA 0.993 62.297 61.300 0.008 0.000 1.404 314 I CB -0.666 37.337 38.000 0.005 0.000 1.071 314 I HN 0.404 nan 8.210 nan 0.000 0.419 315 A N 0.729 123.554 122.820 0.009 0.000 1.978 315 A HA -0.139 4.180 4.320 -0.002 0.000 0.220 315 A C 2.251 179.838 177.584 0.004 0.000 1.170 315 A CA 2.019 54.059 52.037 0.006 0.000 0.636 315 A CB -0.551 18.453 19.000 0.006 0.000 0.810 315 A HN 0.453 nan 8.150 nan 0.000 0.448 316 A N -1.634 121.190 122.820 0.006 0.000 2.387 316 A HA 0.421 4.740 4.320 -0.002 0.000 0.234 316 A C 0.580 178.168 177.584 0.007 0.000 1.253 316 A CA 0.601 52.641 52.037 0.006 0.000 0.894 316 A CB 0.050 19.054 19.000 0.006 0.000 0.963 316 A HN 0.201 nan 8.150 nan 0.000 0.508 317 T N 1.788 116.347 114.554 0.008 0.000 3.150 317 T HA 0.305 4.654 4.350 -0.002 0.000 0.383 317 T C -2.166 172.541 174.700 0.012 0.000 1.313 317 T CA -0.936 61.169 62.100 0.009 0.000 1.235 317 T CB 1.641 70.513 68.868 0.008 0.000 1.088 317 T HN 0.121 nan 8.240 nan 0.000 0.556 318 P HA -0.055 nan 4.420 nan 0.000 0.218 318 P C 1.755 179.067 177.300 0.020 0.000 1.149 318 P CA 0.777 63.885 63.100 0.014 0.000 0.817 318 P CB -0.008 31.699 31.700 0.011 0.000 0.785 319 G N 0.119 108.931 108.800 0.019 0.000 2.509 319 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.218 319 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.218 319 G C 0.923 175.842 174.900 0.033 0.000 1.124 319 G CA -0.075 45.039 45.100 0.023 0.000 0.776 319 G HN 0.286 nan 8.290 nan 0.000 0.547 320 I N 2.537 123.126 120.570 0.032 0.000 2.227 320 I HA 0.083 4.252 4.170 -0.002 0.000 0.297 320 I C 1.128 177.282 176.117 0.061 0.000 1.173 320 I CA -0.172 61.156 61.300 0.045 0.000 1.356 320 I CB 0.733 38.748 38.000 0.026 0.000 1.485 320 I HN 0.134 nan 8.210 nan 0.000 0.604 321 S N 3.773 119.520 115.700 0.080 0.000 2.539 321 S HA 0.240 4.709 4.470 -0.002 0.000 0.221 321 S C 1.113 175.786 174.600 0.123 0.000 0.987 321 S CA -0.300 57.948 58.200 0.081 0.000 0.929 321 S CB 0.079 63.317 63.200 0.064 0.000 0.832 321 S HN 0.575 nan 8.310 nan 0.000 0.492 322 L N 1.791 123.130 121.223 0.194 0.000 2.592 322 L HA 0.388 4.727 4.340 -0.002 0.000 0.227 322 L C 1.465 178.568 176.870 0.388 0.000 1.127 322 L CA 0.313 55.329 54.840 0.292 0.000 0.884 322 L CB -0.612 41.667 42.059 0.367 0.000 1.065 322 L HN 0.628 nan 8.230 nan 0.000 0.457 323 G N -0.065 108.893 108.800 0.262 0.000 2.568 323 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.222 323 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.222 323 G C -0.490 174.471 174.900 0.103 0.000 1.321 323 G CA -0.507 44.703 45.100 0.183 0.000 0.893 323 G HN 0.424 nan 8.290 nan 0.000 0.569 324 C N -1.509 117.795 119.300 0.006 0.000 3.336 324 C HA 1.014 5.473 4.460 -0.002 0.000 0.339 324 C C -0.632 174.264 174.990 -0.157 0.000 1.468 324 C CA 0.285 59.160 59.018 -0.237 0.000 1.287 324 C CB 1.222 28.852 27.740 -0.185 0.000 1.682 324 C HN 1.831 nan 8.230 nan 0.000 0.451 325 E N 0.224 120.311 120.200 -0.187 0.000 2.449 325 E HA 0.706 5.055 4.350 -0.002 0.000 0.278 325 E C -1.825 174.742 176.600 -0.056 0.000 0.992 325 E CA -0.597 55.711 56.400 -0.154 0.000 0.807 325 E CB 1.332 31.061 29.700 0.049 0.000 1.350 325 E HN 0.468 nan 8.360 nan 0.000 0.462 326 F N 1.159 121.152 119.950 0.071 0.000 2.385 326 F HA 0.249 4.775 4.527 -0.002 0.000 0.336 326 F C 1.505 177.410 175.800 0.174 0.000 1.100 326 F CA -1.126 56.936 58.000 0.103 0.000 1.116 326 F CB 0.289 39.317 39.000 0.046 0.000 1.166 326 F HN 0.675 nan 8.300 nan 0.000 0.511 327 Y N 2.558 123.064 120.300 0.342 0.000 2.062 327 Y HA -0.279 4.269 4.550 -0.002 0.000 0.273 327 Y C 1.101 177.118 175.900 0.194 0.000 1.206 327 Y CA 2.435 60.709 58.100 0.290 0.000 1.125 327 Y CB 0.109 38.826 38.460 0.429 0.000 0.951 327 Y HN 0.436 nan 8.280 nan 0.000 0.501 328 M N -2.588 117.113 119.600 0.169 0.000 2.295 328 M HA 0.418 4.897 4.480 -0.002 0.000 0.219 328 M C -1.846 174.497 176.300 0.071 0.000 0.981 328 M CA -0.499 54.810 55.300 0.015 0.000 1.019 328 M CB -0.217 32.328 32.600 -0.091 0.000 2.528 328 M HN -0.044 nan 8.290 nan 0.000 0.445 329 P HA -0.085 nan 4.420 nan 0.000 0.218 329 P C 1.271 178.570 177.300 -0.001 0.000 1.148 329 P CA 3.423 66.547 63.100 0.040 0.000 0.822 329 P CB -0.605 31.063 31.700 -0.052 0.000 0.784 330 H N -3.735 115.322 119.070 -0.022 0.000 2.543 330 H HA 0.174 4.729 4.556 -0.002 0.000 0.286 330 H C 0.954 176.285 175.328 0.005 0.000 1.037 330 H CA 1.623 57.661 56.048 -0.017 0.000 1.250 330 H CB -1.509 28.237 29.762 -0.027 0.000 1.373 330 H HN 0.833 nan 8.280 nan 0.000 0.580 331 H N -0.763 118.320 119.070 0.021 0.000 2.991 331 H HA 0.665 5.220 4.556 -0.002 0.000 0.304 331 H C -0.196 175.150 175.328 0.031 0.000 1.040 331 H CA -0.353 55.715 56.048 0.034 0.000 1.410 331 H CB 0.265 30.061 29.762 0.056 0.000 1.529 331 H HN 0.941 nan 8.280 nan 0.000 0.509 332 V N 1.790 121.704 119.914 0.001 0.000 2.567 332 V HA 0.599 4.718 4.120 -0.002 0.000 0.289 332 V C 0.568 176.622 176.094 -0.068 0.000 1.049 332 V CA -0.955 61.318 62.300 -0.045 0.000 0.969 332 V CB 1.424 33.222 31.823 -0.043 0.000 0.995 332 V HN 0.784 nan 8.190 nan 0.000 0.471 333 L N 4.763 125.898 121.223 -0.147 0.000 2.456 333 L HA 0.310 4.649 4.340 -0.002 0.000 0.277 333 L C 1.290 178.083 176.870 -0.128 0.000 1.124 333 L CA 1.127 55.870 54.840 -0.161 0.000 0.880 333 L CB 0.622 42.491 42.059 -0.317 0.000 1.192 333 L HN 0.963 nan 8.230 nan 0.000 0.463 334 T N 2.938 117.446 114.554 -0.078 0.000 2.894 334 T HA 0.141 4.490 4.350 -0.002 0.000 0.258 334 T C 0.564 175.223 174.700 -0.068 0.000 1.043 334 T CA 1.406 63.469 62.100 -0.061 0.000 1.141 334 T CB -0.123 68.724 68.868 -0.035 0.000 0.873 334 T HN 0.700 nan 8.240 nan 0.000 0.449 335 E N 0.933 121.091 120.200 -0.069 0.000 2.314 335 E HA 0.607 4.956 4.350 -0.002 0.000 0.272 335 E C -1.441 175.104 176.600 -0.091 0.000 0.884 335 E CA -0.926 55.430 56.400 -0.075 0.000 0.753 335 E CB 1.788 31.454 29.700 -0.055 0.000 1.213 335 E HN 0.145 nan 8.360 nan 0.000 0.432 336 D N -0.282 120.052 120.400 -0.110 0.000 2.493 336 D HA 0.436 5.075 4.640 -0.002 0.000 0.239 336 D C 0.972 177.189 176.300 -0.138 0.000 1.049 336 D CA 0.245 54.165 54.000 -0.132 0.000 1.008 336 D CB 2.381 43.080 40.800 -0.168 0.000 1.398 336 D HN 0.575 nan 8.370 nan 0.000 0.513 337 V N -0.609 119.204 119.914 -0.169 0.000 3.623 337 V HA 0.324 4.443 4.120 -0.002 0.000 0.271 337 V C 0.918 176.862 176.094 -0.251 0.000 1.248 337 V CA 0.041 62.210 62.300 -0.217 0.000 1.156 337 V CB -0.906 30.747 31.823 -0.285 0.000 0.870 337 V HN 0.281 nan 8.190 nan 0.000 0.453 338 L N 1.110 122.204 121.223 -0.214 0.000 2.416 338 L HA 0.260 4.599 4.340 -0.002 0.000 0.272 338 L C 1.790 178.570 176.870 -0.151 0.000 1.161 338 L CA 0.125 54.847 54.840 -0.197 0.000 0.845 338 L CB 0.931 42.892 42.059 -0.163 0.000 1.119 338 L HN 0.205 nan 8.230 nan 0.000 0.464 339 E N 2.070 122.188 120.200 -0.137 0.000 2.085 339 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 339 E C -0.157 176.395 176.600 -0.081 0.000 0.994 339 E CA 1.493 57.834 56.400 -0.098 0.000 0.801 339 E CB 0.348 29.999 29.700 -0.082 0.000 0.743 339 E HN 0.590 nan 8.360 nan 0.000 0.453 340 E N 0.011 120.162 120.200 -0.081 0.000 2.272 340 E HA 0.300 4.649 4.350 -0.002 0.000 0.269 340 E C -0.914 175.641 176.600 -0.076 0.000 0.877 340 E CA -0.990 55.369 56.400 -0.068 0.000 0.755 340 E CB 1.441 31.111 29.700 -0.050 0.000 1.192 340 E HN -0.014 nan 8.360 nan 0.000 0.422 341 R N 1.786 122.242 120.500 -0.075 0.000 2.594 341 R HA 0.260 4.599 4.340 -0.002 0.000 0.272 341 R C 0.423 176.686 176.300 -0.061 0.000 1.074 341 R CA -0.266 55.784 56.100 -0.084 0.000 1.105 341 R CB 0.460 30.708 30.300 -0.087 0.000 1.008 341 R HN 0.532 nan 8.270 nan 0.000 0.472 342 I N 2.007 122.538 120.570 -0.065 0.000 2.683 342 I HA -0.041 4.128 4.170 -0.002 0.000 0.286 342 I C 0.809 176.922 176.117 -0.005 0.000 1.175 342 I CA 0.308 61.592 61.300 -0.026 0.000 1.429 342 I CB 0.510 38.501 38.000 -0.015 0.000 1.371 342 I HN 0.526 nan 8.210 nan 0.000 0.569 343 A N 6.440 129.271 122.820 0.019 0.000 2.312 343 A HA 0.606 4.925 4.320 -0.002 0.000 0.326 343 A C -0.260 177.358 177.584 0.056 0.000 1.172 343 A CA -0.702 51.351 52.037 0.027 0.000 0.821 343 A CB 0.782 19.791 19.000 0.016 0.000 1.166 343 A HN 0.875 nan 8.150 nan 0.000 0.493 344 N N -0.027 118.704 118.700 0.052 0.000 2.240 344 N HA 0.690 5.429 4.740 -0.002 0.000 0.302 344 N C -0.946 174.516 175.510 -0.079 0.000 1.106 344 N CA -0.399 52.657 53.050 0.011 0.000 0.778 344 N CB 2.195 40.730 38.487 0.081 0.000 1.431 344 N HN 0.471 nan 8.380 nan 0.000 0.479 345 S N 0.557 116.097 115.700 -0.267 0.000 2.533 345 S HA 0.579 5.048 4.470 -0.002 0.000 0.271 345 S C -0.505 173.697 174.600 -0.663 0.000 1.143 345 S CA -0.017 57.991 58.200 -0.320 0.000 0.891 345 S CB 0.775 63.861 63.200 -0.189 0.000 1.105 345 S HN 1.628 nan 8.310 nan 0.000 0.468 346 A N 1.941 124.502 122.820 -0.432 0.000 2.748 346 A HA 0.076 4.395 4.320 -0.002 0.000 0.297 346 A C 1.593 178.738 177.584 -0.732 0.000 1.508 346 A CA 1.698 53.460 52.037 -0.458 0.000 0.799 346 A CB -2.244 16.623 19.000 -0.222 0.000 1.011 346 A HN 2.721 nan 8.150 nan 0.000 0.500 347 G N -1.857 106.311 108.800 -1.052 0.000 2.131 347 G HA2 -0.038 3.921 3.960 -0.002 0.000 0.223 347 G HA3 -0.038 3.921 3.960 -0.002 0.000 0.223 347 G C -0.166 174.534 174.900 -0.334 0.000 0.990 347 G CA 0.857 45.446 45.100 -0.851 0.000 0.671 347 G HN 2.758 nan 8.290 nan 0.000 0.521 348 H N -2.301 116.638 119.070 -0.218 0.000 2.996 348 H HA 0.633 5.188 4.556 -0.002 0.000 0.368 348 H C -0.715 174.567 175.328 -0.076 0.000 1.185 348 H CA -0.803 55.169 56.048 -0.127 0.000 1.160 348 H CB 1.553 31.257 29.762 -0.096 0.000 1.820 348 H HN 0.187 nan 8.280 nan 0.000 0.547 349 V N 3.242 123.208 119.914 0.087 0.000 2.614 349 V HA 0.053 4.172 4.120 -0.002 0.000 0.291 349 V C 0.671 176.852 176.094 0.144 0.000 1.049 349 V CA -0.562 61.795 62.300 0.095 0.000 1.038 349 V CB 0.840 32.709 31.823 0.076 0.000 0.980 349 V HN 0.512 nan 8.190 nan 0.000 0.481 350 I N 4.980 125.625 120.570 0.125 0.000 2.325 350 I HA 0.211 4.380 4.170 -0.002 0.000 0.291 350 I C 0.210 176.362 176.117 0.058 0.000 1.019 350 I CA -0.345 61.016 61.300 0.102 0.000 1.302 350 I CB 1.179 39.231 38.000 0.088 0.000 1.401 350 I HN 0.233 nan 8.210 nan 0.000 0.485 351 V N 9.571 129.507 119.914 0.037 0.000 2.446 351 V HA 0.102 4.221 4.120 -0.002 0.000 0.276 351 V C -1.634 174.471 176.094 0.017 0.000 1.030 351 V CA -1.135 61.179 62.300 0.025 0.000 1.033 351 V CB 0.274 32.105 31.823 0.014 0.000 0.993 351 V HN 0.625 nan 8.190 nan 0.000 0.477 352 P HA 0.121 nan 4.420 nan 0.000 0.265 352 P C -0.645 176.657 177.300 0.002 0.000 1.193 352 P CA -0.184 62.920 63.100 0.007 0.000 0.765 352 P CB 0.847 32.548 31.700 0.002 0.000 0.823 353 D N 0.684 121.084 120.400 -0.001 0.000 2.348 353 D HA 0.544 5.183 4.640 -0.002 0.000 0.249 353 D C 0.954 177.249 176.300 -0.007 0.000 1.110 353 D CA 0.655 54.653 54.000 -0.004 0.000 0.967 353 D CB 0.848 41.646 40.800 -0.004 0.000 1.139 353 D HN 0.677 nan 8.370 nan 0.000 0.466 354 G N 0.339 109.133 108.800 -0.009 0.000 2.570 354 G HA2 -0.034 3.925 3.960 -0.002 0.000 0.686 354 G HA3 -0.034 3.925 3.960 -0.002 0.000 0.686 354 G C -2.949 171.942 174.900 -0.015 0.000 1.257 354 G CA -1.119 43.973 45.100 -0.012 0.000 0.846 354 G HN 0.388 nan 8.290 nan 0.000 0.627 355 P HA 0.463 nan 4.420 nan 0.000 0.272 355 P C 1.359 178.645 177.300 -0.022 0.000 1.240 355 P CA 1.564 64.645 63.100 -0.031 0.000 0.791 355 P CB 0.565 32.238 31.700 -0.045 0.000 0.978 356 G N 0.749 109.531 108.800 -0.030 0.000 2.611 356 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.301 356 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.301 356 G C 0.907 175.810 174.900 0.005 0.000 1.233 356 G CA 0.427 45.519 45.100 -0.013 0.000 0.993 356 G HN 0.483 nan 8.290 nan 0.000 0.553 357 L N 1.940 123.177 121.223 0.023 0.000 2.291 357 L HA 0.318 4.657 4.340 -0.002 0.000 0.214 357 L C 2.384 179.263 176.870 0.014 0.000 1.120 357 L CA 1.271 56.127 54.840 0.027 0.000 0.799 357 L CB -0.501 41.587 42.059 0.048 0.000 0.925 357 L HN 2.084 nan 8.230 nan 0.000 0.446 358 G N 1.192 109.997 108.800 0.008 0.000 2.171 358 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.238 358 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.238 358 G C 0.072 174.966 174.900 -0.010 0.000 1.039 358 G CA 0.409 45.507 45.100 -0.002 0.000 0.759 358 G HN 0.448 nan 8.290 nan 0.000 0.501 359 I N -2.766 117.797 120.570 -0.012 0.000 2.934 359 I HA 0.924 5.093 4.170 -0.002 0.000 0.306 359 I C -0.132 175.958 176.117 -0.045 0.000 1.110 359 I CA -0.874 60.403 61.300 -0.040 0.000 1.019 359 I CB 2.471 40.436 38.000 -0.058 0.000 1.227 359 I HN 0.321 nan 8.210 nan 0.000 0.434 360 S N 4.073 119.723 115.700 -0.082 0.000 2.542 360 S HA 0.804 5.273 4.470 -0.002 0.000 0.293 360 S C -0.795 173.693 174.600 -0.188 0.000 1.089 360 S CA -0.689 57.457 58.200 -0.089 0.000 0.961 360 S CB 1.977 65.146 63.200 -0.051 0.000 1.062 360 S HN 0.626 nan 8.310 nan 0.000 0.483 361 I N 2.505 122.932 120.570 -0.239 0.000 2.500 361 I HA 0.339 4.508 4.170 -0.002 0.000 0.286 361 I C 0.003 176.008 176.117 -0.185 0.000 1.063 361 I CA -0.430 60.635 61.300 -0.391 0.000 1.062 361 I CB 2.215 39.609 38.000 -1.010 0.000 1.223 361 I HN 0.872 nan 8.210 nan 0.000 0.435 362 S N 4.000 119.619 115.700 -0.135 0.000 2.713 362 S HA 0.406 4.875 4.470 -0.002 0.000 0.283 362 S C 0.848 175.419 174.600 -0.049 0.000 1.161 362 S CA -0.681 57.493 58.200 -0.043 0.000 0.999 362 S CB 2.031 65.210 63.200 -0.035 0.000 1.039 362 S HN 0.524 nan 8.310 nan 0.000 0.548 363 E N 0.935 121.140 120.200 0.007 0.000 2.085 363 E HA -0.144 4.205 4.350 -0.002 0.000 0.194 363 E C 2.312 178.894 176.600 -0.030 0.000 0.994 363 E CA 1.656 58.060 56.400 0.007 0.000 0.801 363 E CB -0.941 28.785 29.700 0.042 0.000 0.743 363 E HN 0.783 nan 8.360 nan 0.000 0.453 364 A N 1.481 124.284 122.820 -0.028 0.000 1.877 364 A HA -0.200 4.119 4.320 -0.002 0.000 0.216 364 A C 2.455 180.001 177.584 -0.063 0.000 1.186 364 A CA 2.507 54.523 52.037 -0.035 0.000 0.620 364 A CB -0.763 18.221 19.000 -0.026 0.000 0.822 364 A HN 0.367 nan 8.150 nan 0.000 0.443 365 S N -0.352 115.296 115.700 -0.087 0.000 2.370 365 S HA -0.180 4.289 4.470 -0.002 0.000 0.226 365 S C 1.893 176.405 174.600 -0.147 0.000 1.033 365 S CA 1.648 59.778 58.200 -0.117 0.000 1.011 365 S CB -0.608 62.505 63.200 -0.146 0.000 0.852 365 S HN 0.479 nan 8.310 nan 0.000 0.457 366 L N 1.795 122.910 121.223 -0.180 0.000 2.007 366 L HA 0.212 4.551 4.340 -0.002 0.000 0.205 366 L C 2.507 179.296 176.870 -0.134 0.000 1.073 366 L CA 1.710 56.420 54.840 -0.217 0.000 0.744 366 L CB -0.829 41.046 42.059 -0.308 0.000 0.898 366 L HN 0.222 nan 8.230 nan 0.000 0.435 367 R N -0.821 119.625 120.500 -0.089 0.000 2.313 367 R HA 0.124 4.463 4.340 -0.002 0.000 0.199 367 R C 1.493 177.777 176.300 -0.028 0.000 0.958 367 R CA 0.580 56.657 56.100 -0.037 0.000 1.047 367 R CB -0.241 30.058 30.300 -0.002 0.000 0.955 367 R HN 0.565 nan 8.270 nan 0.000 0.481 368 G N -0.492 108.282 108.800 -0.043 0.000 3.079 368 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.233 368 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.233 368 G C 0.734 175.610 174.900 -0.041 0.000 1.062 368 G CA -0.230 44.849 45.100 -0.035 0.000 0.809 368 G HN 0.141 nan 8.290 nan 0.000 0.535 369 N N 0.228 118.894 118.700 -0.055 0.000 2.166 369 N HA 0.324 5.063 4.740 -0.002 0.000 0.213 369 N C 0.179 175.661 175.510 -0.046 0.000 1.222 369 N CA 0.259 53.276 53.050 -0.056 0.000 0.900 369 N CB 1.847 40.288 38.487 -0.076 0.000 1.055 369 N HN 0.277 nan 8.380 nan 0.000 0.515 370 A N 0.479 123.274 122.820 -0.041 0.000 2.475 370 A HA 0.540 4.859 4.320 -0.002 0.000 0.301 370 A C -0.727 176.856 177.584 -0.001 0.000 1.059 370 A CA -0.637 51.389 52.037 -0.018 0.000 0.710 370 A CB 1.841 20.829 19.000 -0.020 0.000 1.288 370 A HN -0.083 nan 8.150 nan 0.000 0.408 371 K N 2.018 122.425 120.400 0.012 0.000 2.262 371 K HA 0.398 4.717 4.320 -0.002 0.000 0.282 371 K C -0.940 175.681 176.600 0.035 0.000 1.066 371 K CA 0.048 56.347 56.287 0.020 0.000 0.901 371 K CB 0.849 33.357 32.500 0.013 0.000 1.089 371 K HN 0.595 nan 8.250 nan 0.000 0.476 372 I N 4.365 124.968 120.570 0.054 0.000 2.322 372 I HA 0.056 4.225 4.170 -0.002 0.000 0.292 372 I C 0.887 177.038 176.117 0.058 0.000 1.060 372 I CA -0.267 61.089 61.300 0.093 0.000 1.309 372 I CB 0.374 38.468 38.000 0.157 0.000 1.415 372 I HN 0.427 nan 8.210 nan 0.000 0.492 373 L N 0.000 121.237 121.223 0.023 0.000 2.949 373 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 373 L CA 0.000 54.820 54.840 -0.033 0.000 0.813 373 L CB 0.000 42.008 42.059 -0.084 0.000 0.961 373 L HN 0.000 nan 8.230 nan 0.000 0.502